USER MOD reduce.3.24.130724 H: found=0, std=0, add=815, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 816 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 104 ASN : amide:sc= 0.124 K(o=1,f=-2.5) USER MOD Set 1.2: A 106 THR OG1 : rot -54:sc= 0.88 USER MOD Set 2.1: A 83 MET CE :methyl -158:sc= -1.52 (180deg=-3.24) USER MOD Set 2.2: A 111 SER OG : rot 49:sc= 0.498 USER MOD Set 3.1: A 66 SER OG : rot -100:sc= -4.55! USER MOD Set 3.2: A 71 HIS : no HD1:sc= -2.1! C(o=-6.6!,f=-8.4!) USER MOD Set 4.1: A 43 LYS NZ :NH3+ -141:sc= 0.342 (180deg=0) USER MOD Set 4.2: A 72 GLN : amide:sc= -3.26! C(o=-2.9!,f=-6.1!) USER MOD Single : A 17 GLN : amide:sc= -0.0193 K(o=-0.019,f=-0.77) USER MOD Single : A 18 LYS NZ :NH3+ -160:sc= -0.0423 (180deg=-0.322) USER MOD Single : A 24 THR OG1 : rot 61:sc= 1.2 USER MOD Single : A 30 THR OG1 : rot -160:sc= 0.0174 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN :FLIP amide:sc= -1.1 F(o=-1.9,f=-1.1) USER MOD Single : A 40 LYS NZ :NH3+ -161:sc= -0.0839 (180deg=-0.425) USER MOD Single : A 46 THR OG1 : rot -91:sc= 1.22 USER MOD Single : A 49 CYS SG : rot 180:sc= -0.428 USER MOD Single : A 50 THR OG1 : rot -25:sc= 0.43 USER MOD Single : A 52 MET CE :methyl -115:sc= -0.0608 (180deg=-2.2!) USER MOD Single : A 53 ASN :FLIP amide:sc= -0.0314 F(o=-0.98,f=-0.031) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -0.218 X(o=-0.22,f=0) USER MOD Single : A 59 SER OG : rot -149:sc= 0.797 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= -0.317 X(o=-0.32,f=-0.3) USER MOD Single : A 67 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -0.133 K(o=-0.13,f=-1.7) USER MOD Single : A 69 ASN : amide:sc= -4.8! C(o=-4.8!,f=-9.4!) USER MOD Single : A 75 ASN : amide:sc= -2.12 K(o=-2.1,f=-6.3!) USER MOD Single : A 77 SER OG : rot 78:sc= 0.231 USER MOD Single : A 78 ASN : amide:sc= -0.0807 K(o=-0.081,f=-0.77) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 TYR OH : rot 30:sc= -0.69 USER MOD Single : A 88 MET CE :methyl -134:sc= -1.67 (180deg=-2.35!) USER MOD Single : A 89 ASN : amide:sc= -0.0513 K(o=-0.051,f=-1.1) USER MOD Single : A 97 ASN : amide:sc= -0.655 X(o=-0.65,f=-0.35) USER MOD Single : A 102 SER OG : rot 3:sc= 0.575 USER MOD Single : A 105 MET CE :methyl 166:sc= -1.67 (180deg=-2.52) USER MOD Single : A 107 GLN : amide:sc=-0.00784 X(o=-0.0078,f=-0.018) USER MOD Single : A 109 GLN : amide:sc= -0.211 K(o=-0.21,f=-2.3!) USER MOD Single : A 118 LYS NZ :NH3+ 161:sc= 0.474 (180deg=-0.451) USER MOD ----------------------------------------------------------------- ATOM 196 N ASP A 15 5.854 -11.934 9.421 1.00 0.00 N ATOM 197 CA ASP A 15 7.045 -12.776 9.464 1.00 0.00 C ATOM 198 C ASP A 15 8.310 -11.924 9.499 1.00 0.00 C ATOM 199 O ASP A 15 8.417 -10.898 8.828 1.00 0.00 O ATOM 200 CB ASP A 15 7.077 -13.711 8.255 1.00 0.00 C ATOM 201 CG ASP A 15 7.867 -14.976 8.522 1.00 0.00 C ATOM 202 OD1 ASP A 15 7.402 -15.807 9.331 1.00 0.00 O ATOM 203 OD2 ASP A 15 8.951 -15.137 7.924 1.00 0.00 O ATOM 0 HA ASP A 15 7.006 -13.374 10.374 1.00 0.00 H new ATOM 0 HB2 ASP A 15 6.057 -13.975 7.977 1.00 0.00 H new ATOM 0 HB3 ASP A 15 7.513 -13.186 7.405 1.00 0.00 H new ATOM 208 N PRO A 16 9.294 -12.360 10.301 1.00 0.00 N ATOM 209 CA PRO A 16 10.569 -11.652 10.444 1.00 0.00 C ATOM 210 C PRO A 16 11.425 -11.739 9.184 1.00 0.00 C ATOM 211 O PRO A 16 12.458 -11.080 9.078 1.00 0.00 O ATOM 212 CB PRO A 16 11.251 -12.381 11.604 1.00 0.00 C ATOM 213 CG PRO A 16 10.655 -13.746 11.597 1.00 0.00 C ATOM 214 CD PRO A 16 9.236 -13.575 11.129 1.00 0.00 C ATOM 0 HA PRO A 16 10.426 -10.585 10.618 1.00 0.00 H new ATOM 0 HB2 PRO A 16 12.332 -12.420 11.466 1.00 0.00 H new ATOM 0 HB3 PRO A 16 11.069 -11.874 12.552 1.00 0.00 H new ATOM 0 HG2 PRO A 16 11.208 -14.410 10.933 1.00 0.00 H new ATOM 0 HG3 PRO A 16 10.687 -14.191 12.591 1.00 0.00 H new ATOM 0 HD2 PRO A 16 8.896 -14.437 10.555 1.00 0.00 H new ATOM 0 HD3 PRO A 16 8.548 -13.458 11.966 1.00 0.00 H new ATOM 222 N GLN A 17 10.986 -12.558 8.233 1.00 0.00 N ATOM 223 CA GLN A 17 11.713 -12.731 6.980 1.00 0.00 C ATOM 224 C GLN A 17 11.008 -12.007 5.838 1.00 0.00 C ATOM 225 O GLN A 17 11.647 -11.337 5.026 1.00 0.00 O ATOM 226 CB GLN A 17 11.853 -14.217 6.648 1.00 0.00 C ATOM 227 CG GLN A 17 12.682 -14.991 7.661 1.00 0.00 C ATOM 228 CD GLN A 17 12.305 -16.458 7.725 1.00 0.00 C ATOM 229 OE1 GLN A 17 11.692 -16.994 6.801 1.00 0.00 O ATOM 230 NE2 GLN A 17 12.670 -17.116 8.819 1.00 0.00 N ATOM 0 H GLN A 17 10.132 -13.111 8.306 1.00 0.00 H new ATOM 0 HA GLN A 17 12.706 -12.299 7.102 1.00 0.00 H new ATOM 0 HB2 GLN A 17 10.860 -14.662 6.587 1.00 0.00 H new ATOM 0 HB3 GLN A 17 12.309 -14.319 5.663 1.00 0.00 H new ATOM 0 HG2 GLN A 17 13.738 -14.902 7.405 1.00 0.00 H new ATOM 0 HG3 GLN A 17 12.554 -14.544 8.647 1.00 0.00 H new ATOM 0 HE21 GLN A 17 13.177 -16.632 9.560 1.00 0.00 H new ATOM 0 HE22 GLN A 17 12.444 -18.106 8.918 1.00 0.00 H new ATOM 239 N LYS A 18 9.689 -12.147 5.780 1.00 0.00 N ATOM 240 CA LYS A 18 8.895 -11.506 4.738 1.00 0.00 C ATOM 241 C LYS A 18 9.099 -9.995 4.750 1.00 0.00 C ATOM 242 O LYS A 18 9.301 -9.378 3.705 1.00 0.00 O ATOM 243 CB LYS A 18 7.412 -11.833 4.923 1.00 0.00 C ATOM 244 CG LYS A 18 7.108 -13.321 4.892 1.00 0.00 C ATOM 245 CD LYS A 18 7.147 -13.869 3.476 1.00 0.00 C ATOM 246 CE LYS A 18 5.857 -13.575 2.728 1.00 0.00 C ATOM 247 NZ LYS A 18 4.711 -14.355 3.271 1.00 0.00 N ATOM 0 H LYS A 18 9.146 -12.700 6.443 1.00 0.00 H new ATOM 0 HA LYS A 18 9.228 -11.892 3.774 1.00 0.00 H new ATOM 0 HB2 LYS A 18 7.074 -11.422 5.874 1.00 0.00 H new ATOM 0 HB3 LYS A 18 6.839 -11.337 4.139 1.00 0.00 H new ATOM 0 HG2 LYS A 18 7.831 -13.854 5.509 1.00 0.00 H new ATOM 0 HG3 LYS A 18 6.124 -13.501 5.326 1.00 0.00 H new ATOM 0 HD2 LYS A 18 7.988 -13.431 2.939 1.00 0.00 H new ATOM 0 HD3 LYS A 18 7.314 -14.946 3.506 1.00 0.00 H new ATOM 0 HE2 LYS A 18 5.634 -12.510 2.793 1.00 0.00 H new ATOM 0 HE3 LYS A 18 5.988 -13.810 1.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 3.954 -14.400 2.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 5.026 -15.319 3.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 4.352 -13.892 4.130 1.00 0.00 H new ATOM 261 N GLU A 19 9.046 -9.405 5.940 1.00 0.00 N ATOM 262 CA GLU A 19 9.226 -7.965 6.088 1.00 0.00 C ATOM 263 C GLU A 19 10.336 -7.460 5.170 1.00 0.00 C ATOM 264 O GLU A 19 10.177 -6.449 4.486 1.00 0.00 O ATOM 265 CB GLU A 19 9.552 -7.615 7.541 1.00 0.00 C ATOM 266 CG GLU A 19 9.638 -6.121 7.803 1.00 0.00 C ATOM 267 CD GLU A 19 10.666 -5.434 6.925 1.00 0.00 C ATOM 268 OE1 GLU A 19 11.867 -5.745 7.064 1.00 0.00 O ATOM 269 OE2 GLU A 19 10.268 -4.583 6.102 1.00 0.00 O ATOM 0 H GLU A 19 8.880 -9.902 6.815 1.00 0.00 H new ATOM 0 HA GLU A 19 8.293 -7.477 5.806 1.00 0.00 H new ATOM 0 HB2 GLU A 19 8.789 -8.046 8.189 1.00 0.00 H new ATOM 0 HB3 GLU A 19 10.500 -8.078 7.813 1.00 0.00 H new ATOM 0 HG2 GLU A 19 8.661 -5.669 7.634 1.00 0.00 H new ATOM 0 HG3 GLU A 19 9.890 -5.953 8.850 1.00 0.00 H new ATOM 276 N ALA A 20 11.459 -8.169 5.163 1.00 0.00 N ATOM 277 CA ALA A 20 12.595 -7.793 4.329 1.00 0.00 C ATOM 278 C ALA A 20 12.230 -7.842 2.850 1.00 0.00 C ATOM 279 O ALA A 20 12.651 -6.990 2.069 1.00 0.00 O ATOM 280 CB ALA A 20 13.781 -8.703 4.613 1.00 0.00 C ATOM 0 H ALA A 20 11.607 -9.007 5.725 1.00 0.00 H new ATOM 0 HA ALA A 20 12.871 -6.767 4.574 1.00 0.00 H new ATOM 0 HB1 ALA A 20 14.622 -8.412 3.984 1.00 0.00 H new ATOM 0 HB2 ALA A 20 14.065 -8.615 5.662 1.00 0.00 H new ATOM 0 HB3 ALA A 20 13.507 -9.736 4.397 1.00 0.00 H new ATOM 286 N GLU A 21 11.444 -8.847 2.472 1.00 0.00 N ATOM 287 CA GLU A 21 11.025 -9.007 1.084 1.00 0.00 C ATOM 288 C GLU A 21 10.327 -7.748 0.579 1.00 0.00 C ATOM 289 O GLU A 21 10.590 -7.280 -0.530 1.00 0.00 O ATOM 290 CB GLU A 21 10.092 -10.212 0.947 1.00 0.00 C ATOM 291 CG GLU A 21 10.744 -11.532 1.320 1.00 0.00 C ATOM 292 CD GLU A 21 10.094 -12.718 0.635 1.00 0.00 C ATOM 293 OE1 GLU A 21 8.924 -13.019 0.955 1.00 0.00 O ATOM 294 OE2 GLU A 21 10.753 -13.348 -0.219 1.00 0.00 O ATOM 0 H GLU A 21 11.086 -9.561 3.106 1.00 0.00 H new ATOM 0 HA GLU A 21 11.915 -9.175 0.478 1.00 0.00 H new ATOM 0 HB2 GLU A 21 9.217 -10.057 1.579 1.00 0.00 H new ATOM 0 HB3 GLU A 21 9.736 -10.270 -0.082 1.00 0.00 H new ATOM 0 HG2 GLU A 21 11.801 -11.499 1.055 1.00 0.00 H new ATOM 0 HG3 GLU A 21 10.690 -11.667 2.400 1.00 0.00 H new ATOM 301 N LEU A 22 9.432 -7.205 1.399 1.00 0.00 N ATOM 302 CA LEU A 22 8.694 -6.001 1.034 1.00 0.00 C ATOM 303 C LEU A 22 9.642 -4.827 0.812 1.00 0.00 C ATOM 304 O LEU A 22 9.814 -4.359 -0.314 1.00 0.00 O ATOM 305 CB LEU A 22 7.680 -5.652 2.126 1.00 0.00 C ATOM 306 CG LEU A 22 6.579 -6.685 2.374 1.00 0.00 C ATOM 307 CD1 LEU A 22 5.760 -6.309 3.599 1.00 0.00 C ATOM 308 CD2 LEU A 22 5.684 -6.815 1.151 1.00 0.00 C ATOM 0 H LEU A 22 9.201 -7.579 2.319 1.00 0.00 H new ATOM 0 HA LEU A 22 8.164 -6.197 0.102 1.00 0.00 H new ATOM 0 HB2 LEU A 22 8.221 -5.495 3.059 1.00 0.00 H new ATOM 0 HB3 LEU A 22 7.209 -4.704 1.867 1.00 0.00 H new ATOM 0 HG LEU A 22 7.049 -7.651 2.559 1.00 0.00 H new ATOM 0 HD11 LEU A 22 4.982 -7.055 3.760 1.00 0.00 H new ATOM 0 HD12 LEU A 22 6.410 -6.269 4.473 1.00 0.00 H new ATOM 0 HD13 LEU A 22 5.300 -5.333 3.444 1.00 0.00 H new ATOM 0 HD21 LEU A 22 4.907 -7.554 1.346 1.00 0.00 H new ATOM 0 HD22 LEU A 22 5.222 -5.852 0.934 1.00 0.00 H new ATOM 0 HD23 LEU A 22 6.280 -7.133 0.296 1.00 0.00 H new ATOM 320 N ARG A 23 10.256 -4.357 1.892 1.00 0.00 N ATOM 321 CA ARG A 23 11.189 -3.238 1.815 1.00 0.00 C ATOM 322 C ARG A 23 12.137 -3.402 0.631 1.00 0.00 C ATOM 323 O ARG A 23 12.472 -2.431 -0.049 1.00 0.00 O ATOM 324 CB ARG A 23 11.990 -3.124 3.113 1.00 0.00 C ATOM 325 CG ARG A 23 12.738 -4.395 3.481 1.00 0.00 C ATOM 326 CD ARG A 23 13.811 -4.128 4.524 1.00 0.00 C ATOM 327 NE ARG A 23 14.964 -3.432 3.958 1.00 0.00 N ATOM 328 CZ ARG A 23 16.083 -3.195 4.632 1.00 0.00 C ATOM 329 NH1 ARG A 23 16.200 -3.596 5.891 1.00 0.00 N ATOM 330 NH2 ARG A 23 17.088 -2.556 4.049 1.00 0.00 N ATOM 0 H ARG A 23 10.125 -4.733 2.831 1.00 0.00 H new ATOM 0 HA ARG A 23 10.612 -2.325 1.672 1.00 0.00 H new ATOM 0 HB2 ARG A 23 12.705 -2.306 3.018 1.00 0.00 H new ATOM 0 HB3 ARG A 23 11.313 -2.863 3.926 1.00 0.00 H new ATOM 0 HG2 ARG A 23 12.034 -5.135 3.863 1.00 0.00 H new ATOM 0 HG3 ARG A 23 13.195 -4.821 2.588 1.00 0.00 H new ATOM 0 HD2 ARG A 23 13.389 -3.532 5.333 1.00 0.00 H new ATOM 0 HD3 ARG A 23 14.136 -5.073 4.960 1.00 0.00 H new ATOM 0 HE ARG A 23 14.906 -3.110 2.992 1.00 0.00 H new ATOM 0 HH11 ARG A 23 15.429 -4.088 6.343 1.00 0.00 H new ATOM 0 HH12 ARG A 23 17.061 -3.413 6.407 1.00 0.00 H new ATOM 0 HH21 ARG A 23 17.002 -2.246 3.081 1.00 0.00 H new ATOM 0 HH22 ARG A 23 17.947 -2.375 4.568 1.00 0.00 H new ATOM 344 N THR A 24 12.568 -4.637 0.391 1.00 0.00 N ATOM 345 CA THR A 24 13.480 -4.928 -0.709 1.00 0.00 C ATOM 346 C THR A 24 12.780 -4.786 -2.055 1.00 0.00 C ATOM 347 O THR A 24 13.398 -4.412 -3.051 1.00 0.00 O ATOM 348 CB THR A 24 14.063 -6.348 -0.593 1.00 0.00 C ATOM 349 OG1 THR A 24 14.692 -6.517 0.682 1.00 0.00 O ATOM 350 CG2 THR A 24 15.072 -6.610 -1.702 1.00 0.00 C ATOM 0 H THR A 24 12.300 -5.451 0.944 1.00 0.00 H new ATOM 0 HA THR A 24 14.292 -4.204 -0.647 1.00 0.00 H new ATOM 0 HB THR A 24 13.246 -7.062 -0.691 1.00 0.00 H new ATOM 0 HG1 THR A 24 14.029 -6.394 1.393 1.00 0.00 H new ATOM 0 HG21 THR A 24 15.471 -7.619 -1.600 1.00 0.00 H new ATOM 0 HG22 THR A 24 14.582 -6.509 -2.671 1.00 0.00 H new ATOM 0 HG23 THR A 24 15.886 -5.889 -1.631 1.00 0.00 H new ATOM 358 N TRP A 25 11.485 -5.086 -2.078 1.00 0.00 N ATOM 359 CA TRP A 25 10.700 -4.991 -3.304 1.00 0.00 C ATOM 360 C TRP A 25 10.264 -3.553 -3.560 1.00 0.00 C ATOM 361 O TRP A 25 10.098 -3.141 -4.708 1.00 0.00 O ATOM 362 CB TRP A 25 9.475 -5.902 -3.221 1.00 0.00 C ATOM 363 CG TRP A 25 8.365 -5.491 -4.141 1.00 0.00 C ATOM 364 CD1 TRP A 25 8.336 -5.622 -5.499 1.00 0.00 C ATOM 365 CD2 TRP A 25 7.125 -4.879 -3.767 1.00 0.00 C ATOM 366 NE1 TRP A 25 7.153 -5.128 -5.994 1.00 0.00 N ATOM 367 CE2 TRP A 25 6.392 -4.668 -4.952 1.00 0.00 C ATOM 368 CE3 TRP A 25 6.562 -4.492 -2.548 1.00 0.00 C ATOM 369 CZ2 TRP A 25 5.128 -4.086 -4.949 1.00 0.00 C ATOM 370 CZ3 TRP A 25 5.307 -3.913 -2.548 1.00 0.00 C ATOM 371 CH2 TRP A 25 4.601 -3.716 -3.743 1.00 0.00 C ATOM 0 H TRP A 25 10.957 -5.397 -1.262 1.00 0.00 H new ATOM 0 HA TRP A 25 11.328 -5.314 -4.135 1.00 0.00 H new ATOM 0 HB2 TRP A 25 9.774 -6.923 -3.458 1.00 0.00 H new ATOM 0 HB3 TRP A 25 9.104 -5.908 -2.196 1.00 0.00 H new ATOM 0 HD1 TRP A 25 9.127 -6.051 -6.097 1.00 0.00 H new ATOM 0 HE1 TRP A 25 6.885 -5.107 -6.978 1.00 0.00 H new ATOM 0 HE3 TRP A 25 7.098 -4.643 -1.623 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 4.582 -3.932 -5.868 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 4.863 -3.607 -1.612 1.00 0.00 H new ATOM 0 HH2 TRP A 25 3.621 -3.263 -3.710 1.00 0.00 H new ATOM 382 N ILE A 26 10.080 -2.794 -2.485 1.00 0.00 N ATOM 383 CA ILE A 26 9.664 -1.401 -2.596 1.00 0.00 C ATOM 384 C ILE A 26 10.859 -0.488 -2.841 1.00 0.00 C ATOM 385 O ILE A 26 10.855 0.320 -3.769 1.00 0.00 O ATOM 386 CB ILE A 26 8.924 -0.932 -1.328 1.00 0.00 C ATOM 387 CG1 ILE A 26 7.814 -1.921 -0.964 1.00 0.00 C ATOM 388 CG2 ILE A 26 8.353 0.462 -1.534 1.00 0.00 C ATOM 389 CD1 ILE A 26 7.170 -1.637 0.375 1.00 0.00 C ATOM 0 H ILE A 26 10.212 -3.120 -1.528 1.00 0.00 H new ATOM 0 HA ILE A 26 8.985 -1.341 -3.446 1.00 0.00 H new ATOM 0 HB ILE A 26 9.635 -0.893 -0.503 1.00 0.00 H new ATOM 0 HG12 ILE A 26 7.048 -1.897 -1.739 1.00 0.00 H new ATOM 0 HG13 ILE A 26 8.226 -2.930 -0.954 1.00 0.00 H new ATOM 0 HG21 ILE A 26 7.833 0.780 -0.630 1.00 0.00 H new ATOM 0 HG22 ILE A 26 9.163 1.159 -1.751 1.00 0.00 H new ATOM 0 HG23 ILE A 26 7.653 0.449 -2.369 1.00 0.00 H new ATOM 0 HD11 ILE A 26 6.393 -2.376 0.569 1.00 0.00 H new ATOM 0 HD12 ILE A 26 7.924 -1.689 1.160 1.00 0.00 H new ATOM 0 HD13 ILE A 26 6.728 -0.641 0.362 1.00 0.00 H new ATOM 401 N GLU A 27 11.882 -0.624 -2.003 1.00 0.00 N ATOM 402 CA GLU A 27 13.087 0.188 -2.130 1.00 0.00 C ATOM 403 C GLU A 27 13.555 0.243 -3.582 1.00 0.00 C ATOM 404 O GLU A 27 13.989 1.287 -4.066 1.00 0.00 O ATOM 405 CB GLU A 27 14.201 -0.370 -1.243 1.00 0.00 C ATOM 406 CG GLU A 27 14.111 0.083 0.204 1.00 0.00 C ATOM 407 CD GLU A 27 15.289 -0.385 1.037 1.00 0.00 C ATOM 408 OE1 GLU A 27 16.436 -0.267 0.558 1.00 0.00 O ATOM 409 OE2 GLU A 27 15.064 -0.870 2.165 1.00 0.00 O ATOM 0 H GLU A 27 11.901 -1.288 -1.229 1.00 0.00 H new ATOM 0 HA GLU A 27 12.848 1.201 -1.805 1.00 0.00 H new ATOM 0 HB2 GLU A 27 14.170 -1.459 -1.277 1.00 0.00 H new ATOM 0 HB3 GLU A 27 15.165 -0.066 -1.651 1.00 0.00 H new ATOM 0 HG2 GLU A 27 14.057 1.171 0.237 1.00 0.00 H new ATOM 0 HG3 GLU A 27 13.188 -0.296 0.642 1.00 0.00 H new ATOM 416 N GLY A 28 13.465 -0.892 -4.270 1.00 0.00 N ATOM 417 CA GLY A 28 13.884 -0.952 -5.657 1.00 0.00 C ATOM 418 C GLY A 28 12.861 -0.349 -6.599 1.00 0.00 C ATOM 419 O GLY A 28 13.215 0.210 -7.639 1.00 0.00 O ATOM 0 H GLY A 28 13.110 -1.770 -3.891 1.00 0.00 H new ATOM 0 HA2 GLY A 28 14.832 -0.426 -5.770 1.00 0.00 H new ATOM 0 HA3 GLY A 28 14.061 -1.991 -5.935 1.00 0.00 H new ATOM 423 N LEU A 29 11.587 -0.462 -6.237 1.00 0.00 N ATOM 424 CA LEU A 29 10.508 0.075 -7.059 1.00 0.00 C ATOM 425 C LEU A 29 10.584 1.597 -7.131 1.00 0.00 C ATOM 426 O LEU A 29 10.755 2.171 -8.206 1.00 0.00 O ATOM 427 CB LEU A 29 9.151 -0.353 -6.497 1.00 0.00 C ATOM 428 CG LEU A 29 8.570 -1.650 -7.062 1.00 0.00 C ATOM 429 CD1 LEU A 29 7.574 -2.258 -6.086 1.00 0.00 C ATOM 430 CD2 LEU A 29 7.911 -1.395 -8.409 1.00 0.00 C ATOM 0 H LEU A 29 11.277 -0.920 -5.380 1.00 0.00 H new ATOM 0 HA LEU A 29 10.619 -0.324 -8.067 1.00 0.00 H new ATOM 0 HB2 LEU A 29 9.245 -0.461 -5.416 1.00 0.00 H new ATOM 0 HB3 LEU A 29 8.436 0.450 -6.676 1.00 0.00 H new ATOM 0 HG LEU A 29 9.385 -2.359 -7.206 1.00 0.00 H new ATOM 0 HD11 LEU A 29 7.171 -3.180 -6.505 1.00 0.00 H new ATOM 0 HD12 LEU A 29 8.075 -2.476 -5.143 1.00 0.00 H new ATOM 0 HD13 LEU A 29 6.761 -1.554 -5.910 1.00 0.00 H new ATOM 0 HD21 LEU A 29 7.503 -2.328 -8.797 1.00 0.00 H new ATOM 0 HD22 LEU A 29 7.107 -0.669 -8.289 1.00 0.00 H new ATOM 0 HD23 LEU A 29 8.651 -1.004 -9.108 1.00 0.00 H new ATOM 442 N THR A 30 10.458 2.246 -5.976 1.00 0.00 N ATOM 443 CA THR A 30 10.513 3.700 -5.908 1.00 0.00 C ATOM 444 C THR A 30 11.954 4.198 -5.923 1.00 0.00 C ATOM 445 O THR A 30 12.237 5.297 -6.395 1.00 0.00 O ATOM 446 CB THR A 30 9.814 4.230 -4.642 1.00 0.00 C ATOM 447 OG1 THR A 30 10.565 3.868 -3.478 1.00 0.00 O ATOM 448 CG2 THR A 30 8.401 3.675 -4.532 1.00 0.00 C ATOM 0 H THR A 30 10.317 1.786 -5.076 1.00 0.00 H new ATOM 0 HA THR A 30 9.992 4.076 -6.788 1.00 0.00 H new ATOM 0 HB THR A 30 9.757 5.316 -4.713 1.00 0.00 H new ATOM 0 HG1 THR A 30 9.987 3.916 -2.688 1.00 0.00 H new ATOM 0 HG21 THR A 30 7.927 4.063 -3.630 1.00 0.00 H new ATOM 0 HG22 THR A 30 7.822 3.977 -5.405 1.00 0.00 H new ATOM 0 HG23 THR A 30 8.440 2.587 -4.482 1.00 0.00 H new ATOM 456 N GLY A 31 12.864 3.378 -5.403 1.00 0.00 N ATOM 457 CA GLY A 31 14.265 3.752 -5.368 1.00 0.00 C ATOM 458 C GLY A 31 14.603 4.625 -4.175 1.00 0.00 C ATOM 459 O GLY A 31 15.637 5.293 -4.158 1.00 0.00 O ATOM 0 H GLY A 31 12.655 2.462 -5.006 1.00 0.00 H new ATOM 0 HA2 GLY A 31 14.878 2.851 -5.340 1.00 0.00 H new ATOM 0 HA3 GLY A 31 14.519 4.282 -6.286 1.00 0.00 H new ATOM 463 N LEU A 32 13.727 4.621 -3.176 1.00 0.00 N ATOM 464 CA LEU A 32 13.936 5.420 -1.973 1.00 0.00 C ATOM 465 C LEU A 32 14.424 4.550 -0.819 1.00 0.00 C ATOM 466 O LEU A 32 14.678 3.359 -0.991 1.00 0.00 O ATOM 467 CB LEU A 32 12.642 6.133 -1.579 1.00 0.00 C ATOM 468 CG LEU A 32 12.059 7.089 -2.619 1.00 0.00 C ATOM 469 CD1 LEU A 32 10.603 7.398 -2.304 1.00 0.00 C ATOM 470 CD2 LEU A 32 12.876 8.371 -2.684 1.00 0.00 C ATOM 0 H LEU A 32 12.866 4.074 -3.175 1.00 0.00 H new ATOM 0 HA LEU A 32 14.702 6.165 -2.190 1.00 0.00 H new ATOM 0 HB2 LEU A 32 11.891 5.378 -1.348 1.00 0.00 H new ATOM 0 HB3 LEU A 32 12.824 6.693 -0.662 1.00 0.00 H new ATOM 0 HG LEU A 32 12.104 6.604 -3.594 1.00 0.00 H new ATOM 0 HD11 LEU A 32 10.205 8.080 -3.055 1.00 0.00 H new ATOM 0 HD12 LEU A 32 10.025 6.474 -2.311 1.00 0.00 H new ATOM 0 HD13 LEU A 32 10.534 7.862 -1.320 1.00 0.00 H new ATOM 0 HD21 LEU A 32 12.446 9.039 -3.430 1.00 0.00 H new ATOM 0 HD22 LEU A 32 12.865 8.859 -1.710 1.00 0.00 H new ATOM 0 HD23 LEU A 32 13.904 8.134 -2.959 1.00 0.00 H new ATOM 482 N SER A 33 14.549 5.154 0.359 1.00 0.00 N ATOM 483 CA SER A 33 15.007 4.435 1.542 1.00 0.00 C ATOM 484 C SER A 33 13.986 4.541 2.671 1.00 0.00 C ATOM 485 O SER A 33 13.487 5.626 2.970 1.00 0.00 O ATOM 486 CB SER A 33 16.358 4.981 2.006 1.00 0.00 C ATOM 487 OG SER A 33 16.726 4.434 3.260 1.00 0.00 O ATOM 0 H SER A 33 14.339 6.139 0.519 1.00 0.00 H new ATOM 0 HA SER A 33 15.121 3.384 1.277 1.00 0.00 H new ATOM 0 HB2 SER A 33 17.122 4.746 1.265 1.00 0.00 H new ATOM 0 HB3 SER A 33 16.309 6.067 2.080 1.00 0.00 H new ATOM 0 HG SER A 33 17.594 4.798 3.533 1.00 0.00 H new ATOM 493 N ILE A 34 13.682 3.408 3.294 1.00 0.00 N ATOM 494 CA ILE A 34 12.722 3.373 4.391 1.00 0.00 C ATOM 495 C ILE A 34 13.345 3.895 5.682 1.00 0.00 C ATOM 496 O ILE A 34 12.707 4.623 6.442 1.00 0.00 O ATOM 497 CB ILE A 34 12.191 1.948 4.629 1.00 0.00 C ATOM 498 CG1 ILE A 34 11.480 1.430 3.378 1.00 0.00 C ATOM 499 CG2 ILE A 34 11.253 1.926 5.827 1.00 0.00 C ATOM 500 CD1 ILE A 34 11.562 -0.072 3.214 1.00 0.00 C ATOM 0 H ILE A 34 14.086 2.502 3.058 1.00 0.00 H new ATOM 0 HA ILE A 34 11.891 4.017 4.105 1.00 0.00 H new ATOM 0 HB ILE A 34 13.035 1.292 4.841 1.00 0.00 H new ATOM 0 HG12 ILE A 34 10.432 1.726 3.417 1.00 0.00 H new ATOM 0 HG13 ILE A 34 11.914 1.907 2.499 1.00 0.00 H new ATOM 0 HG21 ILE A 34 10.886 0.912 5.983 1.00 0.00 H new ATOM 0 HG22 ILE A 34 11.790 2.258 6.716 1.00 0.00 H new ATOM 0 HG23 ILE A 34 10.411 2.593 5.642 1.00 0.00 H new ATOM 0 HD11 ILE A 34 11.036 -0.368 2.306 1.00 0.00 H new ATOM 0 HD12 ILE A 34 12.607 -0.374 3.143 1.00 0.00 H new ATOM 0 HD13 ILE A 34 11.102 -0.558 4.075 1.00 0.00 H new ATOM 512 N GLY A 35 14.597 3.517 5.924 1.00 0.00 N ATOM 513 CA GLY A 35 15.286 3.957 7.123 1.00 0.00 C ATOM 514 C GLY A 35 15.613 2.810 8.057 1.00 0.00 C ATOM 515 O GLY A 35 15.421 1.640 7.728 1.00 0.00 O ATOM 0 H GLY A 35 15.146 2.914 5.311 1.00 0.00 H new ATOM 0 HA2 GLY A 35 16.208 4.467 6.842 1.00 0.00 H new ATOM 0 HA3 GLY A 35 14.667 4.684 7.648 1.00 0.00 H new ATOM 519 N PRO A 36 16.125 3.142 9.252 1.00 0.00 N ATOM 520 CA PRO A 36 16.492 2.144 10.261 1.00 0.00 C ATOM 521 C PRO A 36 15.274 1.453 10.864 1.00 0.00 C ATOM 522 O PRO A 36 15.406 0.537 11.676 1.00 0.00 O ATOM 523 CB PRO A 36 17.221 2.967 11.326 1.00 0.00 C ATOM 524 CG PRO A 36 16.678 4.347 11.175 1.00 0.00 C ATOM 525 CD PRO A 36 16.381 4.517 9.710 1.00 0.00 C ATOM 0 HA PRO A 36 17.094 1.340 9.838 1.00 0.00 H new ATOM 0 HB2 PRO A 36 17.034 2.575 12.326 1.00 0.00 H new ATOM 0 HB3 PRO A 36 18.300 2.947 11.172 1.00 0.00 H new ATOM 0 HG2 PRO A 36 15.777 4.480 11.774 1.00 0.00 H new ATOM 0 HG3 PRO A 36 17.399 5.090 11.516 1.00 0.00 H new ATOM 0 HD2 PRO A 36 15.518 5.162 9.547 1.00 0.00 H new ATOM 0 HD3 PRO A 36 17.220 4.968 9.180 1.00 0.00 H new ATOM 533 N ASP A 37 14.089 1.897 10.460 1.00 0.00 N ATOM 534 CA ASP A 37 12.845 1.319 10.960 1.00 0.00 C ATOM 535 C ASP A 37 11.787 1.277 9.863 1.00 0.00 C ATOM 536 O ASP A 37 11.737 2.153 9.000 1.00 0.00 O ATOM 537 CB ASP A 37 12.329 2.124 12.154 1.00 0.00 C ATOM 538 CG ASP A 37 13.430 2.472 13.137 1.00 0.00 C ATOM 539 OD1 ASP A 37 14.175 3.441 12.875 1.00 0.00 O ATOM 540 OD2 ASP A 37 13.545 1.779 14.169 1.00 0.00 O ATOM 0 H ASP A 37 13.963 2.654 9.789 1.00 0.00 H new ATOM 0 HA ASP A 37 13.050 0.298 11.281 1.00 0.00 H new ATOM 0 HB2 ASP A 37 11.863 3.042 11.796 1.00 0.00 H new ATOM 0 HB3 ASP A 37 11.555 1.552 12.667 1.00 0.00 H new ATOM 545 N PHE A 38 10.942 0.252 9.903 1.00 0.00 N ATOM 546 CA PHE A 38 9.884 0.095 8.911 1.00 0.00 C ATOM 547 C PHE A 38 8.652 0.908 9.296 1.00 0.00 C ATOM 548 O PHE A 38 8.259 1.830 8.582 1.00 0.00 O ATOM 549 CB PHE A 38 9.510 -1.382 8.765 1.00 0.00 C ATOM 550 CG PHE A 38 8.829 -1.703 7.465 1.00 0.00 C ATOM 551 CD1 PHE A 38 9.499 -1.548 6.262 1.00 0.00 C ATOM 552 CD2 PHE A 38 7.520 -2.157 7.446 1.00 0.00 C ATOM 553 CE1 PHE A 38 8.873 -1.842 5.064 1.00 0.00 C ATOM 554 CE2 PHE A 38 6.891 -2.451 6.252 1.00 0.00 C ATOM 555 CZ PHE A 38 7.569 -2.295 5.059 1.00 0.00 C ATOM 0 H PHE A 38 10.969 -0.482 10.611 1.00 0.00 H new ATOM 0 HA PHE A 38 10.257 0.465 7.956 1.00 0.00 H new ATOM 0 HB2 PHE A 38 10.412 -1.987 8.852 1.00 0.00 H new ATOM 0 HB3 PHE A 38 8.855 -1.666 9.589 1.00 0.00 H new ATOM 0 HD1 PHE A 38 10.519 -1.194 6.260 1.00 0.00 H new ATOM 0 HD2 PHE A 38 6.985 -2.282 8.376 1.00 0.00 H new ATOM 0 HE1 PHE A 38 9.405 -1.717 4.132 1.00 0.00 H new ATOM 0 HE2 PHE A 38 5.870 -2.803 6.251 1.00 0.00 H new ATOM 0 HZ PHE A 38 7.080 -2.527 4.124 1.00 0.00 H new ATOM 565 N GLN A 39 8.048 0.558 10.427 1.00 0.00 N ATOM 566 CA GLN A 39 6.860 1.254 10.905 1.00 0.00 C ATOM 567 C GLN A 39 7.003 2.762 10.724 1.00 0.00 C ATOM 568 O GLN A 39 6.075 3.435 10.278 1.00 0.00 O ATOM 569 CB GLN A 39 6.609 0.926 12.378 1.00 0.00 C ATOM 570 CG GLN A 39 5.339 1.552 12.932 1.00 0.00 C ATOM 571 CD GLN A 39 5.579 2.923 13.533 1.00 0.00 C ATOM 572 OE1 GLN A 39 4.824 3.912 13.069 1.00 0.00 O flip ATOM 573 NE2 GLN A 39 6.433 3.092 14.403 1.00 0.00 N flip ATOM 0 H GLN A 39 8.362 -0.203 11.029 1.00 0.00 H new ATOM 0 HA GLN A 39 6.009 0.915 10.315 1.00 0.00 H new ATOM 0 HB2 GLN A 39 6.552 -0.156 12.496 1.00 0.00 H new ATOM 0 HB3 GLN A 39 7.460 1.267 12.968 1.00 0.00 H new ATOM 0 HG2 GLN A 39 4.601 1.633 12.134 1.00 0.00 H new ATOM 0 HG3 GLN A 39 4.916 0.895 13.692 1.00 0.00 H new ATOM 0 HE21 GLN A 39 6.991 2.303 14.730 1.00 0.00 H new ATOM 0 HE22 GLN A 39 6.583 4.021 14.797 1.00 0.00 H new ATOM 582 N LYS A 40 8.173 3.286 11.075 1.00 0.00 N ATOM 583 CA LYS A 40 8.439 4.714 10.952 1.00 0.00 C ATOM 584 C LYS A 40 8.652 5.104 9.493 1.00 0.00 C ATOM 585 O LYS A 40 7.877 5.873 8.926 1.00 0.00 O ATOM 586 CB LYS A 40 9.669 5.098 11.778 1.00 0.00 C ATOM 587 CG LYS A 40 9.452 4.991 13.278 1.00 0.00 C ATOM 588 CD LYS A 40 9.621 3.561 13.765 1.00 0.00 C ATOM 589 CE LYS A 40 9.646 3.490 15.283 1.00 0.00 C ATOM 590 NZ LYS A 40 10.821 4.206 15.853 1.00 0.00 N ATOM 0 H LYS A 40 8.952 2.743 11.447 1.00 0.00 H new ATOM 0 HA LYS A 40 7.571 5.254 11.331 1.00 0.00 H new ATOM 0 HB2 LYS A 40 10.502 4.456 11.493 1.00 0.00 H new ATOM 0 HB3 LYS A 40 9.956 6.121 11.533 1.00 0.00 H new ATOM 0 HG2 LYS A 40 10.159 5.639 13.796 1.00 0.00 H new ATOM 0 HG3 LYS A 40 8.452 5.346 13.528 1.00 0.00 H new ATOM 0 HD2 LYS A 40 8.805 2.947 13.384 1.00 0.00 H new ATOM 0 HD3 LYS A 40 10.546 3.146 13.365 1.00 0.00 H new ATOM 0 HE2 LYS A 40 8.729 3.923 15.682 1.00 0.00 H new ATOM 0 HE3 LYS A 40 9.669 2.447 15.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 10.989 3.878 16.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 11.661 4.011 15.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 10.634 5.229 15.860 1.00 0.00 H new ATOM 604 N GLY A 41 9.709 4.566 8.889 1.00 0.00 N ATOM 605 CA GLY A 41 10.003 4.869 7.501 1.00 0.00 C ATOM 606 C GLY A 41 8.750 5.033 6.665 1.00 0.00 C ATOM 607 O GLY A 41 8.708 5.856 5.748 1.00 0.00 O ATOM 0 H GLY A 41 10.366 3.927 9.337 1.00 0.00 H new ATOM 0 HA2 GLY A 41 10.593 5.784 7.449 1.00 0.00 H new ATOM 0 HA3 GLY A 41 10.615 4.071 7.080 1.00 0.00 H new ATOM 611 N LEU A 42 7.723 4.249 6.978 1.00 0.00 N ATOM 612 CA LEU A 42 6.463 4.311 6.248 1.00 0.00 C ATOM 613 C LEU A 42 5.456 5.199 6.972 1.00 0.00 C ATOM 614 O LEU A 42 4.629 5.859 6.343 1.00 0.00 O ATOM 615 CB LEU A 42 5.884 2.906 6.069 1.00 0.00 C ATOM 616 CG LEU A 42 6.843 1.851 5.516 1.00 0.00 C ATOM 617 CD1 LEU A 42 6.144 0.506 5.394 1.00 0.00 C ATOM 618 CD2 LEU A 42 7.398 2.289 4.168 1.00 0.00 C ATOM 0 H LEU A 42 7.739 3.563 7.733 1.00 0.00 H new ATOM 0 HA LEU A 42 6.662 4.743 5.267 1.00 0.00 H new ATOM 0 HB2 LEU A 42 5.514 2.561 7.035 1.00 0.00 H new ATOM 0 HB3 LEU A 42 5.024 2.971 5.403 1.00 0.00 H new ATOM 0 HG LEU A 42 7.675 1.744 6.212 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.842 -0.232 4.999 1.00 0.00 H new ATOM 0 HD12 LEU A 42 5.795 0.187 6.376 1.00 0.00 H new ATOM 0 HD13 LEU A 42 5.293 0.598 4.719 1.00 0.00 H new ATOM 0 HD21 LEU A 42 8.078 1.526 3.789 1.00 0.00 H new ATOM 0 HD22 LEU A 42 6.577 2.425 3.464 1.00 0.00 H new ATOM 0 HD23 LEU A 42 7.936 3.230 4.284 1.00 0.00 H new ATOM 630 N LYS A 43 5.534 5.212 8.299 1.00 0.00 N ATOM 631 CA LYS A 43 4.633 6.021 9.110 1.00 0.00 C ATOM 632 C LYS A 43 4.358 7.365 8.442 1.00 0.00 C ATOM 633 O LYS A 43 3.255 7.611 7.952 1.00 0.00 O ATOM 634 CB LYS A 43 5.229 6.245 10.501 1.00 0.00 C ATOM 635 CG LYS A 43 4.498 7.300 11.315 1.00 0.00 C ATOM 636 CD LYS A 43 5.089 7.439 12.707 1.00 0.00 C ATOM 637 CE LYS A 43 4.801 8.809 13.300 1.00 0.00 C ATOM 638 NZ LYS A 43 5.842 9.806 12.925 1.00 0.00 N ATOM 0 H LYS A 43 6.212 4.671 8.835 1.00 0.00 H new ATOM 0 HA LYS A 43 3.690 5.483 9.207 1.00 0.00 H new ATOM 0 HB2 LYS A 43 5.216 5.303 11.048 1.00 0.00 H new ATOM 0 HB3 LYS A 43 6.274 6.538 10.396 1.00 0.00 H new ATOM 0 HG2 LYS A 43 4.550 8.259 10.799 1.00 0.00 H new ATOM 0 HG3 LYS A 43 3.443 7.036 11.391 1.00 0.00 H new ATOM 0 HD2 LYS A 43 4.678 6.666 13.357 1.00 0.00 H new ATOM 0 HD3 LYS A 43 6.166 7.279 12.664 1.00 0.00 H new ATOM 0 HE2 LYS A 43 3.826 9.155 12.957 1.00 0.00 H new ATOM 0 HE3 LYS A 43 4.748 8.731 14.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 6.040 10.424 13.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 6.713 9.310 12.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 5.501 10.381 12.128 1.00 0.00 H new ATOM 652 N ASP A 44 5.365 8.229 8.425 1.00 0.00 N ATOM 653 CA ASP A 44 5.233 9.547 7.815 1.00 0.00 C ATOM 654 C ASP A 44 4.358 9.482 6.567 1.00 0.00 C ATOM 655 O ASP A 44 3.550 10.375 6.315 1.00 0.00 O ATOM 656 CB ASP A 44 6.610 10.110 7.459 1.00 0.00 C ATOM 657 CG ASP A 44 7.524 9.062 6.853 1.00 0.00 C ATOM 658 OD1 ASP A 44 7.326 8.715 5.669 1.00 0.00 O ATOM 659 OD2 ASP A 44 8.437 8.591 7.562 1.00 0.00 O ATOM 0 H ASP A 44 6.283 8.041 8.827 1.00 0.00 H new ATOM 0 HA ASP A 44 4.756 10.208 8.538 1.00 0.00 H new ATOM 0 HB2 ASP A 44 6.492 10.935 6.757 1.00 0.00 H new ATOM 0 HB3 ASP A 44 7.075 10.519 8.356 1.00 0.00 H new ATOM 664 N GLY A 45 4.527 8.418 5.787 1.00 0.00 N ATOM 665 CA GLY A 45 3.746 8.257 4.573 1.00 0.00 C ATOM 666 C GLY A 45 4.358 8.982 3.391 1.00 0.00 C ATOM 667 O GLY A 45 3.646 9.584 2.586 1.00 0.00 O ATOM 0 H GLY A 45 5.190 7.665 5.974 1.00 0.00 H new ATOM 0 HA2 GLY A 45 3.658 7.196 4.339 1.00 0.00 H new ATOM 0 HA3 GLY A 45 2.736 8.631 4.742 1.00 0.00 H new ATOM 671 N THR A 46 5.682 8.927 3.285 1.00 0.00 N ATOM 672 CA THR A 46 6.389 9.585 2.193 1.00 0.00 C ATOM 673 C THR A 46 6.719 8.600 1.078 1.00 0.00 C ATOM 674 O THR A 46 6.719 8.959 -0.099 1.00 0.00 O ATOM 675 CB THR A 46 7.693 10.242 2.685 1.00 0.00 C ATOM 676 OG1 THR A 46 8.491 9.284 3.388 1.00 0.00 O ATOM 677 CG2 THR A 46 7.393 11.425 3.595 1.00 0.00 C ATOM 0 H THR A 46 6.286 8.434 3.942 1.00 0.00 H new ATOM 0 HA THR A 46 5.724 10.357 1.806 1.00 0.00 H new ATOM 0 HB THR A 46 8.242 10.602 1.815 1.00 0.00 H new ATOM 0 HG1 THR A 46 8.271 9.312 4.343 1.00 0.00 H new ATOM 0 HG21 THR A 46 8.329 11.873 3.930 1.00 0.00 H new ATOM 0 HG22 THR A 46 6.811 12.167 3.048 1.00 0.00 H new ATOM 0 HG23 THR A 46 6.824 11.084 4.460 1.00 0.00 H new ATOM 685 N ILE A 47 7.000 7.358 1.456 1.00 0.00 N ATOM 686 CA ILE A 47 7.329 6.320 0.486 1.00 0.00 C ATOM 687 C ILE A 47 6.086 5.541 0.072 1.00 0.00 C ATOM 688 O ILE A 47 5.771 5.439 -1.115 1.00 0.00 O ATOM 689 CB ILE A 47 8.375 5.338 1.047 1.00 0.00 C ATOM 690 CG1 ILE A 47 9.635 6.092 1.480 1.00 0.00 C ATOM 691 CG2 ILE A 47 8.716 4.279 0.010 1.00 0.00 C ATOM 692 CD1 ILE A 47 10.507 5.310 2.437 1.00 0.00 C ATOM 0 H ILE A 47 7.007 7.045 2.427 1.00 0.00 H new ATOM 0 HA ILE A 47 7.746 6.823 -0.387 1.00 0.00 H new ATOM 0 HB ILE A 47 7.953 4.841 1.921 1.00 0.00 H new ATOM 0 HG12 ILE A 47 10.218 6.347 0.595 1.00 0.00 H new ATOM 0 HG13 ILE A 47 9.343 7.031 1.951 1.00 0.00 H new ATOM 0 HG21 ILE A 47 9.456 3.592 0.421 1.00 0.00 H new ATOM 0 HG22 ILE A 47 7.815 3.725 -0.255 1.00 0.00 H new ATOM 0 HG23 ILE A 47 9.121 4.759 -0.881 1.00 0.00 H new ATOM 0 HD11 ILE A 47 11.381 5.905 2.701 1.00 0.00 H new ATOM 0 HD12 ILE A 47 9.940 5.077 3.339 1.00 0.00 H new ATOM 0 HD13 ILE A 47 10.829 4.383 1.962 1.00 0.00 H new ATOM 704 N LEU A 48 5.383 4.993 1.057 1.00 0.00 N ATOM 705 CA LEU A 48 4.172 4.223 0.795 1.00 0.00 C ATOM 706 C LEU A 48 3.409 4.795 -0.396 1.00 0.00 C ATOM 707 O LEU A 48 2.838 4.052 -1.196 1.00 0.00 O ATOM 708 CB LEU A 48 3.272 4.212 2.032 1.00 0.00 C ATOM 709 CG LEU A 48 3.680 3.251 3.149 1.00 0.00 C ATOM 710 CD1 LEU A 48 2.730 3.370 4.330 1.00 0.00 C ATOM 711 CD2 LEU A 48 3.718 1.820 2.635 1.00 0.00 C ATOM 0 H LEU A 48 5.630 5.067 2.044 1.00 0.00 H new ATOM 0 HA LEU A 48 4.467 3.201 0.558 1.00 0.00 H new ATOM 0 HB2 LEU A 48 3.239 5.221 2.442 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.259 3.963 1.717 1.00 0.00 H new ATOM 0 HG LEU A 48 4.681 3.521 3.486 1.00 0.00 H new ATOM 0 HD11 LEU A 48 3.037 2.678 5.115 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.754 4.389 4.715 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.717 3.128 4.008 1.00 0.00 H new ATOM 0 HD21 LEU A 48 4.010 1.150 3.444 1.00 0.00 H new ATOM 0 HD22 LEU A 48 2.730 1.538 2.270 1.00 0.00 H new ATOM 0 HD23 LEU A 48 4.441 1.744 1.822 1.00 0.00 H new ATOM 723 N CYS A 49 3.406 6.118 -0.510 1.00 0.00 N ATOM 724 CA CYS A 49 2.715 6.791 -1.604 1.00 0.00 C ATOM 725 C CYS A 49 3.395 6.498 -2.937 1.00 0.00 C ATOM 726 O CYS A 49 2.776 5.965 -3.859 1.00 0.00 O ATOM 727 CB CYS A 49 2.674 8.299 -1.359 1.00 0.00 C ATOM 728 SG CYS A 49 1.296 8.842 -0.323 1.00 0.00 S ATOM 0 H CYS A 49 3.875 6.747 0.142 1.00 0.00 H new ATOM 0 HA CYS A 49 1.694 6.410 -1.645 1.00 0.00 H new ATOM 0 HB2 CYS A 49 3.609 8.606 -0.891 1.00 0.00 H new ATOM 0 HB3 CYS A 49 2.616 8.811 -2.320 1.00 0.00 H new ATOM 0 HG CYS A 49 1.349 10.132 -0.172 1.00 0.00 H new ATOM 734 N THR A 50 4.673 6.851 -3.035 1.00 0.00 N ATOM 735 CA THR A 50 5.437 6.630 -4.256 1.00 0.00 C ATOM 736 C THR A 50 5.295 5.191 -4.739 1.00 0.00 C ATOM 737 O THR A 50 5.004 4.944 -5.910 1.00 0.00 O ATOM 738 CB THR A 50 6.930 6.945 -4.049 1.00 0.00 C ATOM 739 OG1 THR A 50 7.412 6.287 -2.873 1.00 0.00 O ATOM 740 CG2 THR A 50 7.154 8.444 -3.925 1.00 0.00 C ATOM 0 H THR A 50 5.201 7.292 -2.282 1.00 0.00 H new ATOM 0 HA THR A 50 5.032 7.306 -5.010 1.00 0.00 H new ATOM 0 HB THR A 50 7.479 6.582 -4.918 1.00 0.00 H new ATOM 0 HG1 THR A 50 6.666 6.129 -2.257 1.00 0.00 H new ATOM 0 HG21 THR A 50 8.216 8.642 -3.779 1.00 0.00 H new ATOM 0 HG22 THR A 50 6.814 8.939 -4.834 1.00 0.00 H new ATOM 0 HG23 THR A 50 6.593 8.826 -3.072 1.00 0.00 H new ATOM 748 N LEU A 51 5.502 4.243 -3.831 1.00 0.00 N ATOM 749 CA LEU A 51 5.397 2.828 -4.165 1.00 0.00 C ATOM 750 C LEU A 51 4.187 2.567 -5.057 1.00 0.00 C ATOM 751 O LEU A 51 4.303 1.938 -6.109 1.00 0.00 O ATOM 752 CB LEU A 51 5.293 1.989 -2.890 1.00 0.00 C ATOM 753 CG LEU A 51 4.838 0.541 -3.073 1.00 0.00 C ATOM 754 CD1 LEU A 51 5.887 -0.255 -3.835 1.00 0.00 C ATOM 755 CD2 LEU A 51 4.552 -0.104 -1.725 1.00 0.00 C ATOM 0 H LEU A 51 5.744 4.430 -2.858 1.00 0.00 H new ATOM 0 HA LEU A 51 6.297 2.542 -4.710 1.00 0.00 H new ATOM 0 HB2 LEU A 51 6.268 1.983 -2.403 1.00 0.00 H new ATOM 0 HB3 LEU A 51 4.599 2.483 -2.210 1.00 0.00 H new ATOM 0 HG LEU A 51 3.916 0.541 -3.655 1.00 0.00 H new ATOM 0 HD11 LEU A 51 5.546 -1.283 -3.956 1.00 0.00 H new ATOM 0 HD12 LEU A 51 6.042 0.194 -4.816 1.00 0.00 H new ATOM 0 HD13 LEU A 51 6.825 -0.246 -3.279 1.00 0.00 H new ATOM 0 HD21 LEU A 51 4.229 -1.134 -1.876 1.00 0.00 H new ATOM 0 HD22 LEU A 51 5.456 -0.092 -1.117 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.765 0.452 -1.215 1.00 0.00 H new ATOM 767 N MET A 52 3.028 3.057 -4.631 1.00 0.00 N ATOM 768 CA MET A 52 1.797 2.879 -5.394 1.00 0.00 C ATOM 769 C MET A 52 1.912 3.530 -6.769 1.00 0.00 C ATOM 770 O MET A 52 1.711 2.878 -7.793 1.00 0.00 O ATOM 771 CB MET A 52 0.610 3.474 -4.633 1.00 0.00 C ATOM 772 CG MET A 52 -0.713 2.791 -4.941 1.00 0.00 C ATOM 773 SD MET A 52 -0.829 2.243 -6.655 1.00 0.00 S ATOM 774 CE MET A 52 -1.887 0.809 -6.482 1.00 0.00 C ATOM 0 H MET A 52 2.915 3.580 -3.763 1.00 0.00 H new ATOM 0 HA MET A 52 1.633 1.810 -5.530 1.00 0.00 H new ATOM 0 HB2 MET A 52 0.804 3.406 -3.563 1.00 0.00 H new ATOM 0 HB3 MET A 52 0.528 4.534 -4.875 1.00 0.00 H new ATOM 0 HG2 MET A 52 -0.837 1.933 -4.280 1.00 0.00 H new ATOM 0 HG3 MET A 52 -1.531 3.479 -4.727 1.00 0.00 H new ATOM 0 HE1 MET A 52 -1.331 -0.088 -6.754 1.00 0.00 H new ATOM 0 HE2 MET A 52 -2.224 0.728 -5.449 1.00 0.00 H new ATOM 0 HE3 MET A 52 -2.751 0.913 -7.138 1.00 0.00 H new ATOM 784 N ASN A 53 2.235 4.819 -6.784 1.00 0.00 N ATOM 785 CA ASN A 53 2.375 5.557 -8.034 1.00 0.00 C ATOM 786 C ASN A 53 3.108 4.722 -9.079 1.00 0.00 C ATOM 787 O ASN A 53 2.766 4.747 -10.262 1.00 0.00 O ATOM 788 CB ASN A 53 3.125 6.869 -7.794 1.00 0.00 C ATOM 789 CG ASN A 53 2.192 8.016 -7.459 1.00 0.00 C ATOM 790 OD1 ASN A 53 2.359 8.586 -6.271 1.00 0.00 O flip ATOM 791 ND2 ASN A 53 1.331 8.385 -8.258 1.00 0.00 N flip ATOM 0 H ASN A 53 2.405 5.374 -5.945 1.00 0.00 H new ATOM 0 HA ASN A 53 1.376 5.781 -8.409 1.00 0.00 H new ATOM 0 HB2 ASN A 53 3.837 6.734 -6.980 1.00 0.00 H new ATOM 0 HB3 ASN A 53 3.702 7.122 -8.683 1.00 0.00 H new ATOM 0 HD21 ASN A 53 1.239 7.918 -9.160 1.00 0.00 H new ATOM 0 HD22 ASN A 53 0.710 9.158 -8.018 1.00 0.00 H new ATOM 798 N LYS A 54 4.119 3.983 -8.636 1.00 0.00 N ATOM 799 CA LYS A 54 4.900 3.138 -9.530 1.00 0.00 C ATOM 800 C LYS A 54 4.016 2.093 -10.202 1.00 0.00 C ATOM 801 O LYS A 54 4.158 1.819 -11.395 1.00 0.00 O ATOM 802 CB LYS A 54 6.028 2.449 -8.760 1.00 0.00 C ATOM 803 CG LYS A 54 7.038 3.415 -8.165 1.00 0.00 C ATOM 804 CD LYS A 54 7.926 4.023 -9.238 1.00 0.00 C ATOM 805 CE LYS A 54 8.385 5.422 -8.855 1.00 0.00 C ATOM 806 NZ LYS A 54 9.048 6.120 -9.991 1.00 0.00 N ATOM 0 H LYS A 54 4.417 3.952 -7.661 1.00 0.00 H new ATOM 0 HA LYS A 54 5.332 3.773 -10.303 1.00 0.00 H new ATOM 0 HB2 LYS A 54 5.596 1.849 -7.959 1.00 0.00 H new ATOM 0 HB3 LYS A 54 6.546 1.762 -9.429 1.00 0.00 H new ATOM 0 HG2 LYS A 54 6.514 4.209 -7.632 1.00 0.00 H new ATOM 0 HG3 LYS A 54 7.655 2.893 -7.433 1.00 0.00 H new ATOM 0 HD2 LYS A 54 8.795 3.385 -9.397 1.00 0.00 H new ATOM 0 HD3 LYS A 54 7.383 4.063 -10.182 1.00 0.00 H new ATOM 0 HE2 LYS A 54 7.528 6.006 -8.521 1.00 0.00 H new ATOM 0 HE3 LYS A 54 9.076 5.360 -8.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 9.346 7.070 -9.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 9.881 5.576 -10.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 8.381 6.203 -10.785 1.00 0.00 H new ATOM 820 N LEU A 55 3.104 1.512 -9.431 1.00 0.00 N ATOM 821 CA LEU A 55 2.194 0.498 -9.952 1.00 0.00 C ATOM 822 C LEU A 55 1.069 1.138 -10.759 1.00 0.00 C ATOM 823 O LEU A 55 0.812 0.749 -11.898 1.00 0.00 O ATOM 824 CB LEU A 55 1.610 -0.328 -8.805 1.00 0.00 C ATOM 825 CG LEU A 55 2.612 -0.853 -7.776 1.00 0.00 C ATOM 826 CD1 LEU A 55 1.892 -1.583 -6.653 1.00 0.00 C ATOM 827 CD2 LEU A 55 3.630 -1.767 -8.441 1.00 0.00 C ATOM 0 H LEU A 55 2.975 1.726 -8.442 1.00 0.00 H new ATOM 0 HA LEU A 55 2.760 -0.159 -10.613 1.00 0.00 H new ATOM 0 HB2 LEU A 55 0.871 0.282 -8.285 1.00 0.00 H new ATOM 0 HB3 LEU A 55 1.078 -1.179 -9.231 1.00 0.00 H new ATOM 0 HG LEU A 55 3.142 -0.002 -7.347 1.00 0.00 H new ATOM 0 HD11 LEU A 55 2.622 -1.949 -5.931 1.00 0.00 H new ATOM 0 HD12 LEU A 55 1.203 -0.899 -6.158 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.335 -2.425 -7.065 1.00 0.00 H new ATOM 0 HD21 LEU A 55 4.335 -2.131 -7.694 1.00 0.00 H new ATOM 0 HD22 LEU A 55 3.116 -2.613 -8.898 1.00 0.00 H new ATOM 0 HD23 LEU A 55 4.170 -1.213 -9.209 1.00 0.00 H new ATOM 839 N GLN A 56 0.404 2.121 -10.160 1.00 0.00 N ATOM 840 CA GLN A 56 -0.692 2.815 -10.825 1.00 0.00 C ATOM 841 C GLN A 56 -0.424 4.314 -10.898 1.00 0.00 C ATOM 842 O GLN A 56 -0.390 5.013 -9.884 1.00 0.00 O ATOM 843 CB GLN A 56 -2.008 2.555 -10.090 1.00 0.00 C ATOM 844 CG GLN A 56 -3.104 3.552 -10.434 1.00 0.00 C ATOM 845 CD GLN A 56 -4.487 3.045 -10.073 1.00 0.00 C ATOM 846 OE1 GLN A 56 -5.211 2.524 -10.922 1.00 0.00 O ATOM 847 NE2 GLN A 56 -4.862 3.196 -8.808 1.00 0.00 N ATOM 0 H GLN A 56 0.605 2.454 -9.217 1.00 0.00 H new ATOM 0 HA GLN A 56 -0.769 2.429 -11.842 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -2.355 1.550 -10.328 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -1.826 2.584 -9.016 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -2.916 4.489 -9.909 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -3.069 3.772 -11.501 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -4.230 3.633 -8.137 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -5.782 2.875 -8.507 1.00 0.00 H new ATOM 856 N PRO A 57 -0.226 4.822 -12.122 1.00 0.00 N ATOM 857 CA PRO A 57 0.044 6.244 -12.357 1.00 0.00 C ATOM 858 C PRO A 57 -1.177 7.117 -12.084 1.00 0.00 C ATOM 859 O PRO A 57 -1.895 7.502 -13.006 1.00 0.00 O ATOM 860 CB PRO A 57 0.418 6.295 -13.839 1.00 0.00 C ATOM 861 CG PRO A 57 -0.254 5.109 -14.441 1.00 0.00 C ATOM 862 CD PRO A 57 -0.251 4.048 -13.375 1.00 0.00 C ATOM 0 HA PRO A 57 0.821 6.627 -11.695 1.00 0.00 H new ATOM 0 HB2 PRO A 57 0.076 7.221 -14.302 1.00 0.00 H new ATOM 0 HB3 PRO A 57 1.498 6.250 -13.976 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -1.271 5.351 -14.748 1.00 0.00 H new ATOM 0 HG3 PRO A 57 0.276 4.770 -15.331 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -1.135 3.413 -13.438 1.00 0.00 H new ATOM 0 HD3 PRO A 57 0.617 3.395 -13.461 1.00 0.00 H new ATOM 870 N GLY A 58 -1.403 7.429 -10.812 1.00 0.00 N ATOM 871 CA GLY A 58 -2.537 8.256 -10.441 1.00 0.00 C ATOM 872 C GLY A 58 -3.033 7.965 -9.039 1.00 0.00 C ATOM 873 O GLY A 58 -3.722 8.786 -8.434 1.00 0.00 O ATOM 0 H GLY A 58 -0.821 7.124 -10.032 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -2.255 9.307 -10.513 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -3.348 8.094 -11.151 1.00 0.00 H new ATOM 877 N SER A 59 -2.682 6.792 -8.520 1.00 0.00 N ATOM 878 CA SER A 59 -3.102 6.393 -7.181 1.00 0.00 C ATOM 879 C SER A 59 -3.052 7.576 -6.221 1.00 0.00 C ATOM 880 O SER A 59 -4.056 7.932 -5.603 1.00 0.00 O ATOM 881 CB SER A 59 -2.211 5.262 -6.662 1.00 0.00 C ATOM 882 OG SER A 59 -0.899 5.363 -7.189 1.00 0.00 O ATOM 0 H SER A 59 -2.109 6.102 -9.006 1.00 0.00 H new ATOM 0 HA SER A 59 -4.131 6.039 -7.239 1.00 0.00 H new ATOM 0 HB2 SER A 59 -2.172 5.296 -5.573 1.00 0.00 H new ATOM 0 HB3 SER A 59 -2.643 4.300 -6.936 1.00 0.00 H new ATOM 0 HG SER A 59 -0.514 4.467 -7.281 1.00 0.00 H new ATOM 888 N VAL A 60 -1.876 8.184 -6.099 1.00 0.00 N ATOM 889 CA VAL A 60 -1.695 9.329 -5.215 1.00 0.00 C ATOM 890 C VAL A 60 -1.426 10.600 -6.011 1.00 0.00 C ATOM 891 O VAL A 60 -0.573 10.638 -6.899 1.00 0.00 O ATOM 892 CB VAL A 60 -0.534 9.098 -4.229 1.00 0.00 C ATOM 893 CG1 VAL A 60 -0.355 10.306 -3.322 1.00 0.00 C ATOM 894 CG2 VAL A 60 -0.774 7.837 -3.411 1.00 0.00 C ATOM 0 H VAL A 60 -1.034 7.902 -6.602 1.00 0.00 H new ATOM 0 HA VAL A 60 -2.622 9.445 -4.653 1.00 0.00 H new ATOM 0 HB VAL A 60 0.385 8.964 -4.800 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.469 10.124 -2.633 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.135 11.186 -3.927 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -1.271 10.475 -2.756 1.00 0.00 H new ATOM 0 HG21 VAL A 60 0.055 7.688 -2.720 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -1.702 7.940 -2.848 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -0.848 6.979 -4.079 1.00 0.00 H new ATOM 904 N PRO A 61 -2.168 11.670 -5.687 1.00 0.00 N ATOM 905 CA PRO A 61 -2.026 12.965 -6.359 1.00 0.00 C ATOM 906 C PRO A 61 -0.709 13.654 -6.019 1.00 0.00 C ATOM 907 O PRO A 61 0.020 14.096 -6.907 1.00 0.00 O ATOM 908 CB PRO A 61 -3.209 13.775 -5.822 1.00 0.00 C ATOM 909 CG PRO A 61 -3.519 13.160 -4.500 1.00 0.00 C ATOM 910 CD PRO A 61 -3.202 11.697 -4.640 1.00 0.00 C ATOM 0 HA PRO A 61 -2.020 12.862 -7.444 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -2.953 14.829 -5.718 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -4.065 13.720 -6.495 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -2.923 13.615 -3.709 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -4.566 13.309 -4.236 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -2.837 11.274 -3.704 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -4.081 11.121 -4.929 1.00 0.00 H new ATOM 918 N LYS A 62 -0.409 13.742 -4.728 1.00 0.00 N ATOM 919 CA LYS A 62 0.821 14.375 -4.269 1.00 0.00 C ATOM 920 C LYS A 62 1.207 13.874 -2.881 1.00 0.00 C ATOM 921 O LYS A 62 0.355 13.421 -2.116 1.00 0.00 O ATOM 922 CB LYS A 62 0.657 15.897 -4.246 1.00 0.00 C ATOM 923 CG LYS A 62 1.961 16.652 -4.432 1.00 0.00 C ATOM 924 CD LYS A 62 2.472 16.541 -5.859 1.00 0.00 C ATOM 925 CE LYS A 62 1.821 17.574 -6.766 1.00 0.00 C ATOM 926 NZ LYS A 62 2.435 17.588 -8.123 1.00 0.00 N ATOM 0 H LYS A 62 -1.002 13.382 -3.980 1.00 0.00 H new ATOM 0 HA LYS A 62 1.617 14.111 -4.965 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -0.039 16.191 -5.032 1.00 0.00 H new ATOM 0 HB3 LYS A 62 0.209 16.191 -3.297 1.00 0.00 H new ATOM 0 HG2 LYS A 62 1.814 17.702 -4.178 1.00 0.00 H new ATOM 0 HG3 LYS A 62 2.711 16.260 -3.745 1.00 0.00 H new ATOM 0 HD2 LYS A 62 3.554 16.675 -5.871 1.00 0.00 H new ATOM 0 HD3 LYS A 62 2.271 15.541 -6.242 1.00 0.00 H new ATOM 0 HE2 LYS A 62 0.755 17.361 -6.852 1.00 0.00 H new ATOM 0 HE3 LYS A 62 1.914 18.562 -6.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 1.963 18.305 -8.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 3.447 17.816 -8.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 2.324 16.653 -8.564 1.00 0.00 H new ATOM 940 N ILE A 63 2.494 13.959 -2.562 1.00 0.00 N ATOM 941 CA ILE A 63 2.991 13.517 -1.266 1.00 0.00 C ATOM 942 C ILE A 63 3.416 14.702 -0.406 1.00 0.00 C ATOM 943 O ILE A 63 4.266 15.497 -0.804 1.00 0.00 O ATOM 944 CB ILE A 63 4.182 12.554 -1.418 1.00 0.00 C ATOM 945 CG1 ILE A 63 3.764 11.311 -2.208 1.00 0.00 C ATOM 946 CG2 ILE A 63 4.726 12.163 -0.052 1.00 0.00 C ATOM 947 CD1 ILE A 63 4.915 10.626 -2.911 1.00 0.00 C ATOM 0 H ILE A 63 3.212 14.330 -3.184 1.00 0.00 H new ATOM 0 HA ILE A 63 2.171 12.992 -0.777 1.00 0.00 H new ATOM 0 HB ILE A 63 4.973 13.063 -1.969 1.00 0.00 H new ATOM 0 HG12 ILE A 63 3.290 10.602 -1.530 1.00 0.00 H new ATOM 0 HG13 ILE A 63 3.015 11.595 -2.947 1.00 0.00 H new ATOM 0 HG21 ILE A 63 5.568 11.482 -0.177 1.00 0.00 H new ATOM 0 HG22 ILE A 63 5.058 13.056 0.477 1.00 0.00 H new ATOM 0 HG23 ILE A 63 3.943 11.670 0.524 1.00 0.00 H new ATOM 0 HD11 ILE A 63 4.545 9.754 -3.450 1.00 0.00 H new ATOM 0 HD12 ILE A 63 5.376 11.319 -3.615 1.00 0.00 H new ATOM 0 HD13 ILE A 63 5.655 10.311 -2.175 1.00 0.00 H new ATOM 959 N ASN A 64 2.819 14.812 0.776 1.00 0.00 N ATOM 960 CA ASN A 64 3.137 15.900 1.694 1.00 0.00 C ATOM 961 C ASN A 64 4.462 15.643 2.405 1.00 0.00 C ATOM 962 O ASN A 64 4.546 14.801 3.300 1.00 0.00 O ATOM 963 CB ASN A 64 2.018 16.070 2.724 1.00 0.00 C ATOM 964 CG ASN A 64 0.646 15.812 2.134 1.00 0.00 C ATOM 965 OD1 ASN A 64 0.354 16.218 1.010 1.00 0.00 O ATOM 966 ND2 ASN A 64 -0.206 15.132 2.893 1.00 0.00 N ATOM 0 H ASN A 64 2.113 14.162 1.121 1.00 0.00 H new ATOM 0 HA ASN A 64 3.229 16.817 1.112 1.00 0.00 H new ATOM 0 HB2 ASN A 64 2.187 15.387 3.556 1.00 0.00 H new ATOM 0 HB3 ASN A 64 2.052 17.081 3.130 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -1.144 14.928 2.549 1.00 0.00 H new ATOM 0 HD22 ASN A 64 0.078 14.814 3.820 1.00 0.00 H new ATOM 973 N ARG A 65 5.496 16.374 1.999 1.00 0.00 N ATOM 974 CA ARG A 65 6.817 16.224 2.596 1.00 0.00 C ATOM 975 C ARG A 65 6.916 17.007 3.903 1.00 0.00 C ATOM 976 O ARG A 65 7.905 17.694 4.154 1.00 0.00 O ATOM 977 CB ARG A 65 7.897 16.700 1.623 1.00 0.00 C ATOM 978 CG ARG A 65 9.210 15.946 1.753 1.00 0.00 C ATOM 979 CD ARG A 65 9.252 14.738 0.830 1.00 0.00 C ATOM 980 NE ARG A 65 9.511 15.116 -0.557 1.00 0.00 N ATOM 981 CZ ARG A 65 10.728 15.324 -1.046 1.00 0.00 C ATOM 982 NH1 ARG A 65 11.792 15.192 -0.267 1.00 0.00 N ATOM 983 NH2 ARG A 65 10.883 15.666 -2.319 1.00 0.00 N ATOM 0 H ARG A 65 5.444 17.075 1.260 1.00 0.00 H new ATOM 0 HA ARG A 65 6.972 15.167 2.812 1.00 0.00 H new ATOM 0 HB2 ARG A 65 7.527 16.595 0.603 1.00 0.00 H new ATOM 0 HB3 ARG A 65 8.080 17.762 1.788 1.00 0.00 H new ATOM 0 HG2 ARG A 65 10.039 16.614 1.518 1.00 0.00 H new ATOM 0 HG3 ARG A 65 9.344 15.622 2.785 1.00 0.00 H new ATOM 0 HD2 ARG A 65 10.027 14.050 1.169 1.00 0.00 H new ATOM 0 HD3 ARG A 65 8.304 14.204 0.889 1.00 0.00 H new ATOM 0 HE ARG A 65 8.714 15.226 -1.184 1.00 0.00 H new ATOM 0 HH11 ARG A 65 11.678 14.930 0.712 1.00 0.00 H new ATOM 0 HH12 ARG A 65 12.725 15.353 -0.647 1.00 0.00 H new ATOM 0 HH21 ARG A 65 10.067 15.769 -2.922 1.00 0.00 H new ATOM 0 HH22 ARG A 65 11.818 15.826 -2.694 1.00 0.00 H new ATOM 997 N SER A 66 5.882 16.897 4.732 1.00 0.00 N ATOM 998 CA SER A 66 5.849 17.596 6.010 1.00 0.00 C ATOM 999 C SER A 66 5.893 16.607 7.171 1.00 0.00 C ATOM 1000 O SER A 66 5.249 15.559 7.133 1.00 0.00 O ATOM 1001 CB SER A 66 4.593 18.463 6.109 1.00 0.00 C ATOM 1002 OG SER A 66 3.433 17.719 5.777 1.00 0.00 O ATOM 0 H SER A 66 5.056 16.330 4.540 1.00 0.00 H new ATOM 0 HA SER A 66 6.729 18.237 6.069 1.00 0.00 H new ATOM 0 HB2 SER A 66 4.499 18.858 7.121 1.00 0.00 H new ATOM 0 HB3 SER A 66 4.684 19.319 5.440 1.00 0.00 H new ATOM 0 HG SER A 66 3.170 17.918 4.854 1.00 0.00 H new ATOM 1008 N MET A 67 6.656 16.951 8.204 1.00 0.00 N ATOM 1009 CA MET A 67 6.783 16.095 9.379 1.00 0.00 C ATOM 1010 C MET A 67 5.644 16.349 10.361 1.00 0.00 C ATOM 1011 O MET A 67 5.844 16.318 11.576 1.00 0.00 O ATOM 1012 CB MET A 67 8.129 16.332 10.066 1.00 0.00 C ATOM 1013 CG MET A 67 8.410 15.361 11.202 1.00 0.00 C ATOM 1014 SD MET A 67 10.174 15.138 11.503 1.00 0.00 S ATOM 1015 CE MET A 67 10.394 13.438 10.984 1.00 0.00 C ATOM 0 H MET A 67 7.195 17.816 8.251 1.00 0.00 H new ATOM 0 HA MET A 67 6.730 15.057 9.050 1.00 0.00 H new ATOM 0 HB2 MET A 67 8.925 16.252 9.325 1.00 0.00 H new ATOM 0 HB3 MET A 67 8.155 17.350 10.454 1.00 0.00 H new ATOM 0 HG2 MET A 67 7.933 15.725 12.112 1.00 0.00 H new ATOM 0 HG3 MET A 67 7.960 14.396 10.970 1.00 0.00 H new ATOM 0 HE1 MET A 67 11.438 13.151 11.111 1.00 0.00 H new ATOM 0 HE2 MET A 67 9.763 12.788 11.590 1.00 0.00 H new ATOM 0 HE3 MET A 67 10.115 13.339 9.935 1.00 0.00 H new ATOM 1025 N GLN A 68 4.453 16.600 9.829 1.00 0.00 N ATOM 1026 CA GLN A 68 3.284 16.860 10.661 1.00 0.00 C ATOM 1027 C GLN A 68 2.413 15.613 10.781 1.00 0.00 C ATOM 1028 O GLN A 68 2.537 14.679 9.990 1.00 0.00 O ATOM 1029 CB GLN A 68 2.466 18.014 10.082 1.00 0.00 C ATOM 1030 CG GLN A 68 3.249 19.310 9.952 1.00 0.00 C ATOM 1031 CD GLN A 68 3.586 19.927 11.295 1.00 0.00 C ATOM 1032 OE1 GLN A 68 3.144 19.446 12.340 1.00 0.00 O ATOM 1033 NE2 GLN A 68 4.373 20.996 11.276 1.00 0.00 N ATOM 0 H GLN A 68 4.272 16.629 8.826 1.00 0.00 H new ATOM 0 HA GLN A 68 3.632 17.135 11.657 1.00 0.00 H new ATOM 0 HB2 GLN A 68 2.091 17.726 9.100 1.00 0.00 H new ATOM 0 HB3 GLN A 68 1.597 18.187 10.717 1.00 0.00 H new ATOM 0 HG2 GLN A 68 4.171 19.119 9.403 1.00 0.00 H new ATOM 0 HG3 GLN A 68 2.670 20.022 9.365 1.00 0.00 H new ATOM 0 HE21 GLN A 68 4.716 21.361 10.387 1.00 0.00 H new ATOM 0 HE22 GLN A 68 4.634 21.453 12.150 1.00 0.00 H new ATOM 1042 N ASN A 69 1.533 15.607 11.777 1.00 0.00 N ATOM 1043 CA ASN A 69 0.642 14.475 12.001 1.00 0.00 C ATOM 1044 C ASN A 69 -0.467 14.440 10.955 1.00 0.00 C ATOM 1045 O ASN A 69 -0.679 13.422 10.294 1.00 0.00 O ATOM 1046 CB ASN A 69 0.033 14.548 13.403 1.00 0.00 C ATOM 1047 CG ASN A 69 -1.281 15.304 13.425 1.00 0.00 C ATOM 1048 OD1 ASN A 69 -1.315 16.517 13.218 1.00 0.00 O ATOM 1049 ND2 ASN A 69 -2.371 14.589 13.676 1.00 0.00 N ATOM 0 H ASN A 69 1.418 16.373 12.441 1.00 0.00 H new ATOM 0 HA ASN A 69 1.229 13.561 11.914 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -0.126 13.538 13.780 1.00 0.00 H new ATOM 0 HB3 ASN A 69 0.739 15.032 14.078 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -3.284 15.043 13.703 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -2.296 13.585 13.842 1.00 0.00 H new ATOM 1056 N TRP A 70 -1.172 15.556 10.810 1.00 0.00 N ATOM 1057 CA TRP A 70 -2.259 15.654 9.843 1.00 0.00 C ATOM 1058 C TRP A 70 -1.769 15.326 8.437 1.00 0.00 C ATOM 1059 O TRP A 70 -2.388 14.538 7.720 1.00 0.00 O ATOM 1060 CB TRP A 70 -2.869 17.057 9.869 1.00 0.00 C ATOM 1061 CG TRP A 70 -1.847 18.145 10.002 1.00 0.00 C ATOM 1062 CD1 TRP A 70 -1.031 18.627 9.019 1.00 0.00 C ATOM 1063 CD2 TRP A 70 -1.533 18.886 11.186 1.00 0.00 C ATOM 1064 NE1 TRP A 70 -0.228 19.622 9.521 1.00 0.00 N ATOM 1065 CE2 TRP A 70 -0.516 19.800 10.848 1.00 0.00 C ATOM 1066 CE3 TRP A 70 -2.012 18.867 12.498 1.00 0.00 C ATOM 1067 CZ2 TRP A 70 0.028 20.685 11.776 1.00 0.00 C ATOM 1068 CZ3 TRP A 70 -1.471 19.745 13.418 1.00 0.00 C ATOM 1069 CH2 TRP A 70 -0.461 20.645 13.053 1.00 0.00 C ATOM 0 H TRP A 70 -1.010 16.406 11.350 1.00 0.00 H new ATOM 0 HA TRP A 70 -3.023 14.928 10.120 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -3.440 17.214 8.954 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -3.572 17.125 10.699 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -1.019 18.277 7.997 1.00 0.00 H new ATOM 0 HE1 TRP A 70 0.470 20.144 8.991 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -2.792 18.178 12.788 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 0.808 21.378 11.497 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -1.833 19.737 14.436 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -0.061 21.320 13.794 1.00 0.00 H new ATOM 1080 N HIS A 71 -0.653 15.934 8.047 1.00 0.00 N ATOM 1081 CA HIS A 71 -0.079 15.705 6.726 1.00 0.00 C ATOM 1082 C HIS A 71 0.317 14.242 6.551 1.00 0.00 C ATOM 1083 O HIS A 71 -0.061 13.601 5.571 1.00 0.00 O ATOM 1084 CB HIS A 71 1.139 16.604 6.513 1.00 0.00 C ATOM 1085 CG HIS A 71 0.789 17.994 6.076 1.00 0.00 C ATOM 1086 ND1 HIS A 71 1.367 19.122 6.621 1.00 0.00 N ATOM 1087 CD2 HIS A 71 -0.083 18.434 5.141 1.00 0.00 C ATOM 1088 CE1 HIS A 71 0.863 20.196 6.039 1.00 0.00 C ATOM 1089 NE2 HIS A 71 -0.018 19.806 5.137 1.00 0.00 N ATOM 0 H HIS A 71 -0.128 16.589 8.627 1.00 0.00 H new ATOM 0 HA HIS A 71 -0.836 15.949 5.981 1.00 0.00 H new ATOM 0 HB2 HIS A 71 1.708 16.656 7.441 1.00 0.00 H new ATOM 0 HB3 HIS A 71 1.789 16.150 5.765 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -0.713 17.821 4.514 1.00 0.00 H new ATOM 0 HE1 HIS A 71 1.127 21.219 6.263 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -0.562 20.423 4.535 1.00 0.00 H new ATOM 1098 N GLN A 72 1.079 13.723 7.508 1.00 0.00 N ATOM 1099 CA GLN A 72 1.527 12.335 7.458 1.00 0.00 C ATOM 1100 C GLN A 72 0.341 11.386 7.332 1.00 0.00 C ATOM 1101 O GLN A 72 0.403 10.391 6.607 1.00 0.00 O ATOM 1102 CB GLN A 72 2.339 11.995 8.708 1.00 0.00 C ATOM 1103 CG GLN A 72 3.761 12.531 8.677 1.00 0.00 C ATOM 1104 CD GLN A 72 4.505 12.290 9.975 1.00 0.00 C ATOM 1105 OE1 GLN A 72 4.428 11.207 10.555 1.00 0.00 O ATOM 1106 NE2 GLN A 72 5.233 13.299 10.437 1.00 0.00 N ATOM 0 H GLN A 72 1.399 14.241 8.326 1.00 0.00 H new ATOM 0 HA GLN A 72 2.160 12.214 6.579 1.00 0.00 H new ATOM 0 HB2 GLN A 72 1.828 12.396 9.583 1.00 0.00 H new ATOM 0 HB3 GLN A 72 2.371 10.912 8.826 1.00 0.00 H new ATOM 0 HG2 GLN A 72 4.305 12.060 7.858 1.00 0.00 H new ATOM 0 HG3 GLN A 72 3.737 13.601 8.470 1.00 0.00 H new ATOM 0 HE21 GLN A 72 5.268 14.180 9.923 1.00 0.00 H new ATOM 0 HE22 GLN A 72 5.757 13.194 11.306 1.00 0.00 H new ATOM 1115 N LEU A 73 -0.737 11.696 8.043 1.00 0.00 N ATOM 1116 CA LEU A 73 -1.939 10.869 8.011 1.00 0.00 C ATOM 1117 C LEU A 73 -2.557 10.861 6.617 1.00 0.00 C ATOM 1118 O LEU A 73 -2.910 9.805 6.091 1.00 0.00 O ATOM 1119 CB LEU A 73 -2.959 11.378 9.031 1.00 0.00 C ATOM 1120 CG LEU A 73 -2.885 10.752 10.424 1.00 0.00 C ATOM 1121 CD1 LEU A 73 -3.274 9.282 10.371 1.00 0.00 C ATOM 1122 CD2 LEU A 73 -1.488 10.914 11.007 1.00 0.00 C ATOM 0 H LEU A 73 -0.804 12.514 8.649 1.00 0.00 H new ATOM 0 HA LEU A 73 -1.655 9.848 8.268 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -2.835 12.456 9.132 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -3.959 11.208 8.631 1.00 0.00 H new ATOM 0 HG LEU A 73 -3.591 11.270 11.072 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -3.215 8.854 11.372 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -4.293 9.189 9.996 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -2.593 8.749 9.708 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -1.453 10.463 11.999 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -0.764 10.421 10.358 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -1.246 11.974 11.082 1.00 0.00 H new ATOM 1134 N GLU A 74 -2.684 12.043 6.024 1.00 0.00 N ATOM 1135 CA GLU A 74 -3.258 12.171 4.690 1.00 0.00 C ATOM 1136 C GLU A 74 -2.554 11.244 3.703 1.00 0.00 C ATOM 1137 O GLU A 74 -3.189 10.646 2.835 1.00 0.00 O ATOM 1138 CB GLU A 74 -3.163 13.619 4.205 1.00 0.00 C ATOM 1139 CG GLU A 74 -4.244 14.000 3.207 1.00 0.00 C ATOM 1140 CD GLU A 74 -5.564 14.329 3.875 1.00 0.00 C ATOM 1141 OE1 GLU A 74 -5.745 15.495 4.289 1.00 0.00 O ATOM 1142 OE2 GLU A 74 -6.416 13.423 3.987 1.00 0.00 O ATOM 0 H GLU A 74 -2.397 12.926 6.446 1.00 0.00 H new ATOM 0 HA GLU A 74 -4.308 11.883 4.746 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -3.223 14.286 5.065 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -2.186 13.776 3.747 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -3.910 14.860 2.626 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -4.391 13.179 2.505 1.00 0.00 H new ATOM 1149 N ASN A 75 -1.237 11.131 3.843 1.00 0.00 N ATOM 1150 CA ASN A 75 -0.445 10.279 2.964 1.00 0.00 C ATOM 1151 C ASN A 75 -1.013 8.864 2.921 1.00 0.00 C ATOM 1152 O ASN A 75 -1.312 8.335 1.849 1.00 0.00 O ATOM 1153 CB ASN A 75 1.011 10.242 3.432 1.00 0.00 C ATOM 1154 CG ASN A 75 1.784 11.479 3.017 1.00 0.00 C ATOM 1155 OD1 ASN A 75 1.394 12.184 2.085 1.00 0.00 O ATOM 1156 ND2 ASN A 75 2.886 11.748 3.707 1.00 0.00 N ATOM 0 H ASN A 75 -0.696 11.619 4.557 1.00 0.00 H new ATOM 0 HA ASN A 75 -0.486 10.698 1.959 1.00 0.00 H new ATOM 0 HB2 ASN A 75 1.038 10.147 4.518 1.00 0.00 H new ATOM 0 HB3 ASN A 75 1.499 9.358 3.022 1.00 0.00 H new ATOM 0 HD21 ASN A 75 3.447 12.567 3.473 1.00 0.00 H new ATOM 0 HD22 ASN A 75 3.171 11.136 4.472 1.00 0.00 H new ATOM 1163 N LEU A 76 -1.162 8.257 4.093 1.00 0.00 N ATOM 1164 CA LEU A 76 -1.696 6.903 4.190 1.00 0.00 C ATOM 1165 C LEU A 76 -3.113 6.834 3.630 1.00 0.00 C ATOM 1166 O LEU A 76 -3.431 5.959 2.823 1.00 0.00 O ATOM 1167 CB LEU A 76 -1.689 6.434 5.646 1.00 0.00 C ATOM 1168 CG LEU A 76 -0.314 6.287 6.297 1.00 0.00 C ATOM 1169 CD1 LEU A 76 -0.453 5.833 7.742 1.00 0.00 C ATOM 1170 CD2 LEU A 76 0.548 5.309 5.510 1.00 0.00 C ATOM 0 H LEU A 76 -0.921 8.681 4.989 1.00 0.00 H new ATOM 0 HA LEU A 76 -1.059 6.245 3.599 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -2.275 7.138 6.236 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -2.199 5.472 5.699 1.00 0.00 H new ATOM 0 HG LEU A 76 0.176 7.261 6.289 1.00 0.00 H new ATOM 0 HD11 LEU A 76 0.536 5.734 8.189 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -1.031 6.569 8.301 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -0.963 4.870 7.773 1.00 0.00 H new ATOM 0 HD21 LEU A 76 1.523 5.217 5.988 1.00 0.00 H new ATOM 0 HD22 LEU A 76 0.062 4.334 5.486 1.00 0.00 H new ATOM 0 HD23 LEU A 76 0.677 5.675 4.491 1.00 0.00 H new ATOM 1182 N SER A 77 -3.960 7.763 4.060 1.00 0.00 N ATOM 1183 CA SER A 77 -5.344 7.808 3.601 1.00 0.00 C ATOM 1184 C SER A 77 -5.414 7.750 2.079 1.00 0.00 C ATOM 1185 O SER A 77 -6.291 7.099 1.511 1.00 0.00 O ATOM 1186 CB SER A 77 -6.030 9.079 4.107 1.00 0.00 C ATOM 1187 OG SER A 77 -5.870 9.222 5.508 1.00 0.00 O ATOM 0 H SER A 77 -3.713 8.495 4.726 1.00 0.00 H new ATOM 0 HA SER A 77 -5.863 6.938 4.004 1.00 0.00 H new ATOM 0 HB2 SER A 77 -5.612 9.948 3.600 1.00 0.00 H new ATOM 0 HB3 SER A 77 -7.091 9.046 3.861 1.00 0.00 H new ATOM 0 HG SER A 77 -4.972 9.562 5.702 1.00 0.00 H new ATOM 1193 N ASN A 78 -4.483 8.435 1.423 1.00 0.00 N ATOM 1194 CA ASN A 78 -4.438 8.463 -0.035 1.00 0.00 C ATOM 1195 C ASN A 78 -4.009 7.109 -0.592 1.00 0.00 C ATOM 1196 O ASN A 78 -4.669 6.548 -1.467 1.00 0.00 O ATOM 1197 CB ASN A 78 -3.478 9.553 -0.516 1.00 0.00 C ATOM 1198 CG ASN A 78 -4.163 10.896 -0.679 1.00 0.00 C ATOM 1199 OD1 ASN A 78 -5.282 10.977 -1.185 1.00 0.00 O ATOM 1200 ND2 ASN A 78 -3.492 11.958 -0.251 1.00 0.00 N ATOM 0 H ASN A 78 -3.749 8.978 1.878 1.00 0.00 H new ATOM 0 HA ASN A 78 -5.441 8.685 -0.400 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -2.658 9.651 0.195 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -3.040 9.253 -1.468 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -3.902 12.888 -0.335 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -2.566 11.844 0.162 1.00 0.00 H new ATOM 1207 N PHE A 79 -2.900 6.589 -0.078 1.00 0.00 N ATOM 1208 CA PHE A 79 -2.381 5.301 -0.523 1.00 0.00 C ATOM 1209 C PHE A 79 -3.435 4.207 -0.368 1.00 0.00 C ATOM 1210 O PHE A 79 -3.666 3.420 -1.286 1.00 0.00 O ATOM 1211 CB PHE A 79 -1.125 4.931 0.269 1.00 0.00 C ATOM 1212 CG PHE A 79 -0.637 3.536 0.002 1.00 0.00 C ATOM 1213 CD1 PHE A 79 -0.450 3.091 -1.298 1.00 0.00 C ATOM 1214 CD2 PHE A 79 -0.365 2.670 1.048 1.00 0.00 C ATOM 1215 CE1 PHE A 79 -0.002 1.807 -1.546 1.00 0.00 C ATOM 1216 CE2 PHE A 79 0.084 1.385 0.805 1.00 0.00 C ATOM 1217 CZ PHE A 79 0.267 0.954 -0.494 1.00 0.00 C ATOM 0 H PHE A 79 -2.343 7.040 0.648 1.00 0.00 H new ATOM 0 HA PHE A 79 -2.124 5.387 -1.579 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -0.331 5.638 0.027 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -1.332 5.037 1.334 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -0.656 3.754 -2.125 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -0.505 3.002 2.066 1.00 0.00 H new ATOM 0 HE1 PHE A 79 0.138 1.471 -2.563 1.00 0.00 H new ATOM 0 HE2 PHE A 79 0.291 0.719 1.630 1.00 0.00 H new ATOM 0 HZ PHE A 79 0.620 -0.048 -0.687 1.00 0.00 H new ATOM 1227 N ILE A 80 -4.067 4.166 0.799 1.00 0.00 N ATOM 1228 CA ILE A 80 -5.096 3.170 1.075 1.00 0.00 C ATOM 1229 C ILE A 80 -6.165 3.168 -0.012 1.00 0.00 C ATOM 1230 O ILE A 80 -6.391 2.155 -0.675 1.00 0.00 O ATOM 1231 CB ILE A 80 -5.767 3.417 2.438 1.00 0.00 C ATOM 1232 CG1 ILE A 80 -4.732 3.341 3.562 1.00 0.00 C ATOM 1233 CG2 ILE A 80 -6.883 2.409 2.670 1.00 0.00 C ATOM 1234 CD1 ILE A 80 -5.145 4.082 4.816 1.00 0.00 C ATOM 0 H ILE A 80 -3.885 4.810 1.569 1.00 0.00 H new ATOM 0 HA ILE A 80 -4.599 2.200 1.094 1.00 0.00 H new ATOM 0 HB ILE A 80 -6.201 4.417 2.436 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -4.553 2.295 3.810 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -3.787 3.749 3.203 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -7.348 2.597 3.638 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -7.631 2.507 1.883 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -6.471 1.400 2.655 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -4.364 3.985 5.570 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -5.296 5.136 4.583 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -6.074 3.659 5.199 1.00 0.00 H new ATOM 1246 N LYS A 81 -6.818 4.312 -0.194 1.00 0.00 N ATOM 1247 CA LYS A 81 -7.862 4.444 -1.203 1.00 0.00 C ATOM 1248 C LYS A 81 -7.375 3.942 -2.559 1.00 0.00 C ATOM 1249 O LYS A 81 -8.158 3.433 -3.359 1.00 0.00 O ATOM 1250 CB LYS A 81 -8.305 5.905 -1.318 1.00 0.00 C ATOM 1251 CG LYS A 81 -8.983 6.434 -0.066 1.00 0.00 C ATOM 1252 CD LYS A 81 -10.453 6.049 -0.022 1.00 0.00 C ATOM 1253 CE LYS A 81 -10.958 5.944 1.409 1.00 0.00 C ATOM 1254 NZ LYS A 81 -11.286 7.280 1.980 1.00 0.00 N ATOM 0 H LYS A 81 -6.642 5.160 0.344 1.00 0.00 H new ATOM 0 HA LYS A 81 -8.711 3.835 -0.894 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -7.435 6.524 -1.539 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -8.989 6.004 -2.161 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -8.477 6.042 0.816 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -8.889 7.519 -0.031 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -11.041 6.790 -0.563 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -10.596 5.096 -0.531 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -11.844 5.310 1.436 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -10.201 5.461 2.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -11.627 7.166 2.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -10.434 7.877 1.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -12.026 7.731 1.405 1.00 0.00 H new ATOM 1268 N ALA A 82 -6.078 4.088 -2.808 1.00 0.00 N ATOM 1269 CA ALA A 82 -5.487 3.646 -4.064 1.00 0.00 C ATOM 1270 C ALA A 82 -5.624 2.136 -4.234 1.00 0.00 C ATOM 1271 O ALA A 82 -6.073 1.658 -5.277 1.00 0.00 O ATOM 1272 CB ALA A 82 -4.023 4.055 -4.132 1.00 0.00 C ATOM 0 H ALA A 82 -5.416 4.509 -2.156 1.00 0.00 H new ATOM 0 HA ALA A 82 -6.026 4.128 -4.880 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -3.595 3.718 -5.076 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -3.945 5.140 -4.065 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -3.479 3.600 -3.304 1.00 0.00 H new ATOM 1278 N MET A 83 -5.234 1.391 -3.205 1.00 0.00 N ATOM 1279 CA MET A 83 -5.316 -0.064 -3.242 1.00 0.00 C ATOM 1280 C MET A 83 -6.698 -0.520 -3.698 1.00 0.00 C ATOM 1281 O MET A 83 -6.824 -1.315 -4.629 1.00 0.00 O ATOM 1282 CB MET A 83 -5.002 -0.649 -1.863 1.00 0.00 C ATOM 1283 CG MET A 83 -3.521 -0.904 -1.634 1.00 0.00 C ATOM 1284 SD MET A 83 -2.693 0.480 -0.829 1.00 0.00 S ATOM 1285 CE MET A 83 -2.865 0.021 0.894 1.00 0.00 C ATOM 0 H MET A 83 -4.858 1.771 -2.336 1.00 0.00 H new ATOM 0 HA MET A 83 -4.579 -0.426 -3.959 1.00 0.00 H new ATOM 0 HB2 MET A 83 -5.368 0.034 -1.096 1.00 0.00 H new ATOM 0 HB3 MET A 83 -5.547 -1.585 -1.742 1.00 0.00 H new ATOM 0 HG2 MET A 83 -3.401 -1.799 -1.023 1.00 0.00 H new ATOM 0 HG3 MET A 83 -3.039 -1.104 -2.591 1.00 0.00 H new ATOM 0 HE1 MET A 83 -2.771 0.910 1.518 1.00 0.00 H new ATOM 0 HE2 MET A 83 -3.843 -0.433 1.054 1.00 0.00 H new ATOM 0 HE3 MET A 83 -2.086 -0.693 1.160 1.00 0.00 H new ATOM 1295 N VAL A 84 -7.732 -0.012 -3.035 1.00 0.00 N ATOM 1296 CA VAL A 84 -9.105 -0.368 -3.373 1.00 0.00 C ATOM 1297 C VAL A 84 -9.328 -0.328 -4.881 1.00 0.00 C ATOM 1298 O VAL A 84 -9.948 -1.225 -5.452 1.00 0.00 O ATOM 1299 CB VAL A 84 -10.113 0.576 -2.691 1.00 0.00 C ATOM 1300 CG1 VAL A 84 -11.536 0.221 -3.096 1.00 0.00 C ATOM 1301 CG2 VAL A 84 -9.952 0.526 -1.179 1.00 0.00 C ATOM 0 H VAL A 84 -7.645 0.647 -2.261 1.00 0.00 H new ATOM 0 HA VAL A 84 -9.267 -1.384 -3.012 1.00 0.00 H new ATOM 0 HB VAL A 84 -9.910 1.595 -3.021 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -12.234 0.899 -2.604 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -11.641 0.314 -4.177 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -11.754 -0.804 -2.797 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -10.672 1.199 -0.714 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -10.127 -0.491 -0.828 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -8.942 0.834 -0.910 1.00 0.00 H new ATOM 1311 N SER A 85 -8.817 0.719 -5.522 1.00 0.00 N ATOM 1312 CA SER A 85 -8.964 0.878 -6.963 1.00 0.00 C ATOM 1313 C SER A 85 -8.171 -0.189 -7.711 1.00 0.00 C ATOM 1314 O SER A 85 -8.632 -0.732 -8.715 1.00 0.00 O ATOM 1315 CB SER A 85 -8.497 2.271 -7.394 1.00 0.00 C ATOM 1316 OG SER A 85 -9.064 2.635 -8.641 1.00 0.00 O ATOM 0 H SER A 85 -8.298 1.469 -5.066 1.00 0.00 H new ATOM 0 HA SER A 85 -10.019 0.763 -7.210 1.00 0.00 H new ATOM 0 HB2 SER A 85 -8.777 3.003 -6.636 1.00 0.00 H new ATOM 0 HB3 SER A 85 -7.410 2.287 -7.467 1.00 0.00 H new ATOM 0 HG SER A 85 -8.752 3.529 -8.894 1.00 0.00 H new ATOM 1322 N TYR A 86 -6.975 -0.487 -7.213 1.00 0.00 N ATOM 1323 CA TYR A 86 -6.117 -1.488 -7.835 1.00 0.00 C ATOM 1324 C TYR A 86 -6.837 -2.828 -7.948 1.00 0.00 C ATOM 1325 O TYR A 86 -6.593 -3.599 -8.876 1.00 0.00 O ATOM 1326 CB TYR A 86 -4.828 -1.655 -7.028 1.00 0.00 C ATOM 1327 CG TYR A 86 -3.658 -2.144 -7.851 1.00 0.00 C ATOM 1328 CD1 TYR A 86 -3.120 -1.359 -8.864 1.00 0.00 C ATOM 1329 CD2 TYR A 86 -3.090 -3.390 -7.617 1.00 0.00 C ATOM 1330 CE1 TYR A 86 -2.051 -1.801 -9.619 1.00 0.00 C ATOM 1331 CE2 TYR A 86 -2.019 -3.840 -8.366 1.00 0.00 C ATOM 1332 CZ TYR A 86 -1.504 -3.042 -9.365 1.00 0.00 C ATOM 1333 OH TYR A 86 -0.439 -3.487 -10.115 1.00 0.00 O ATOM 0 H TYR A 86 -6.579 -0.050 -6.381 1.00 0.00 H new ATOM 0 HA TYR A 86 -5.868 -1.145 -8.839 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -4.567 -0.699 -6.573 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -5.007 -2.357 -6.214 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -3.545 -0.387 -9.064 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -3.492 -4.018 -6.836 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -1.646 -1.179 -10.403 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -1.588 -4.811 -8.170 1.00 0.00 H new ATOM 0 HH TYR A 86 0.095 -2.721 -10.411 1.00 0.00 H new ATOM 1343 N GLY A 87 -7.726 -3.098 -6.997 1.00 0.00 N ATOM 1344 CA GLY A 87 -8.469 -4.345 -7.009 1.00 0.00 C ATOM 1345 C GLY A 87 -8.137 -5.228 -5.822 1.00 0.00 C ATOM 1346 O GLY A 87 -8.205 -6.453 -5.914 1.00 0.00 O ATOM 0 H GLY A 87 -7.945 -2.476 -6.219 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -9.537 -4.128 -7.009 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -8.253 -4.884 -7.931 1.00 0.00 H new ATOM 1350 N MET A 88 -7.776 -4.605 -4.706 1.00 0.00 N ATOM 1351 CA MET A 88 -7.432 -5.343 -3.495 1.00 0.00 C ATOM 1352 C MET A 88 -8.689 -5.748 -2.730 1.00 0.00 C ATOM 1353 O MET A 88 -9.798 -5.354 -3.086 1.00 0.00 O ATOM 1354 CB MET A 88 -6.525 -4.500 -2.599 1.00 0.00 C ATOM 1355 CG MET A 88 -5.175 -4.185 -3.223 1.00 0.00 C ATOM 1356 SD MET A 88 -3.996 -5.538 -3.045 1.00 0.00 S ATOM 1357 CE MET A 88 -3.386 -5.240 -1.388 1.00 0.00 C ATOM 0 H MET A 88 -7.714 -3.591 -4.614 1.00 0.00 H new ATOM 0 HA MET A 88 -6.900 -6.248 -3.789 1.00 0.00 H new ATOM 0 HB2 MET A 88 -7.032 -3.565 -2.360 1.00 0.00 H new ATOM 0 HB3 MET A 88 -6.367 -5.027 -1.658 1.00 0.00 H new ATOM 0 HG2 MET A 88 -5.311 -3.963 -4.282 1.00 0.00 H new ATOM 0 HG3 MET A 88 -4.765 -3.288 -2.760 1.00 0.00 H new ATOM 0 HE1 MET A 88 -2.299 -5.318 -1.381 1.00 0.00 H new ATOM 0 HE2 MET A 88 -3.681 -4.241 -1.066 1.00 0.00 H new ATOM 0 HE3 MET A 88 -3.807 -5.980 -0.707 1.00 0.00 H new ATOM 1367 N ASN A 89 -8.505 -6.539 -1.678 1.00 0.00 N ATOM 1368 CA ASN A 89 -9.624 -7.000 -0.865 1.00 0.00 C ATOM 1369 C ASN A 89 -9.991 -5.962 0.193 1.00 0.00 C ATOM 1370 O ASN A 89 -9.194 -5.092 0.546 1.00 0.00 O ATOM 1371 CB ASN A 89 -9.280 -8.330 -0.192 1.00 0.00 C ATOM 1372 CG ASN A 89 -9.669 -9.525 -1.040 1.00 0.00 C ATOM 1373 OD1 ASN A 89 -9.943 -9.390 -2.233 1.00 0.00 O ATOM 1374 ND2 ASN A 89 -9.693 -10.703 -0.427 1.00 0.00 N ATOM 0 H ASN A 89 -7.592 -6.874 -1.369 1.00 0.00 H new ATOM 0 HA ASN A 89 -10.482 -7.144 -1.521 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -8.210 -8.365 0.011 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -9.789 -8.390 0.770 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -9.946 -11.543 -0.947 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -9.458 -10.767 0.564 1.00 0.00 H new ATOM 1381 N PRO A 90 -11.225 -6.055 0.711 1.00 0.00 N ATOM 1382 CA PRO A 90 -11.724 -5.134 1.735 1.00 0.00 C ATOM 1383 C PRO A 90 -11.037 -5.336 3.082 1.00 0.00 C ATOM 1384 O PRO A 90 -11.279 -4.590 4.031 1.00 0.00 O ATOM 1385 CB PRO A 90 -13.210 -5.486 1.836 1.00 0.00 C ATOM 1386 CG PRO A 90 -13.294 -6.903 1.382 1.00 0.00 C ATOM 1387 CD PRO A 90 -12.226 -7.067 0.337 1.00 0.00 C ATOM 0 HA PRO A 90 -11.535 -4.093 1.473 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -13.575 -5.375 2.857 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -13.816 -4.832 1.208 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -13.135 -7.589 2.214 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -14.279 -7.123 0.971 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -11.805 -8.072 0.347 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -12.616 -6.895 -0.666 1.00 0.00 H new ATOM 1395 N VAL A 91 -10.179 -6.348 3.157 1.00 0.00 N ATOM 1396 CA VAL A 91 -9.456 -6.647 4.387 1.00 0.00 C ATOM 1397 C VAL A 91 -7.949 -6.530 4.181 1.00 0.00 C ATOM 1398 O VAL A 91 -7.217 -6.143 5.091 1.00 0.00 O ATOM 1399 CB VAL A 91 -9.784 -8.062 4.901 1.00 0.00 C ATOM 1400 CG1 VAL A 91 -9.829 -9.052 3.747 1.00 0.00 C ATOM 1401 CG2 VAL A 91 -8.769 -8.496 5.948 1.00 0.00 C ATOM 0 H VAL A 91 -9.968 -6.975 2.380 1.00 0.00 H new ATOM 0 HA VAL A 91 -9.777 -5.915 5.129 1.00 0.00 H new ATOM 0 HB VAL A 91 -10.768 -8.041 5.369 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -10.062 -10.046 4.129 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -10.597 -8.747 3.036 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -8.860 -9.073 3.248 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -9.015 -9.498 6.300 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -7.772 -8.501 5.508 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -8.792 -7.800 6.787 1.00 0.00 H new ATOM 1411 N ASP A 92 -7.495 -6.866 2.979 1.00 0.00 N ATOM 1412 CA ASP A 92 -6.075 -6.796 2.653 1.00 0.00 C ATOM 1413 C ASP A 92 -5.545 -5.377 2.835 1.00 0.00 C ATOM 1414 O ASP A 92 -4.335 -5.146 2.799 1.00 0.00 O ATOM 1415 CB ASP A 92 -5.838 -7.262 1.215 1.00 0.00 C ATOM 1416 CG ASP A 92 -6.115 -8.741 1.033 1.00 0.00 C ATOM 1417 OD1 ASP A 92 -6.885 -9.304 1.839 1.00 0.00 O ATOM 1418 OD2 ASP A 92 -5.564 -9.335 0.083 1.00 0.00 O ATOM 0 H ASP A 92 -8.088 -7.189 2.215 1.00 0.00 H new ATOM 0 HA ASP A 92 -5.537 -7.455 3.334 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -6.476 -6.690 0.541 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -4.806 -7.051 0.933 1.00 0.00 H new ATOM 1423 N LEU A 93 -6.456 -4.431 3.029 1.00 0.00 N ATOM 1424 CA LEU A 93 -6.080 -3.033 3.216 1.00 0.00 C ATOM 1425 C LEU A 93 -5.719 -2.757 4.673 1.00 0.00 C ATOM 1426 O LEU A 93 -5.762 -3.654 5.515 1.00 0.00 O ATOM 1427 CB LEU A 93 -7.222 -2.115 2.778 1.00 0.00 C ATOM 1428 CG LEU A 93 -7.813 -2.391 1.396 1.00 0.00 C ATOM 1429 CD1 LEU A 93 -9.188 -1.754 1.266 1.00 0.00 C ATOM 1430 CD2 LEU A 93 -6.881 -1.879 0.306 1.00 0.00 C ATOM 0 H LEU A 93 -7.460 -4.605 3.061 1.00 0.00 H new ATOM 0 HA LEU A 93 -5.204 -2.831 2.600 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -8.022 -2.188 3.514 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -6.862 -1.086 2.798 1.00 0.00 H new ATOM 0 HG LEU A 93 -7.922 -3.469 1.277 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -9.593 -1.961 0.275 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -9.854 -2.167 2.024 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -9.104 -0.676 1.406 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -7.317 -2.084 -0.672 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -6.740 -0.804 0.423 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -5.917 -2.382 0.386 1.00 0.00 H new ATOM 1442 N PHE A 94 -5.365 -1.510 4.962 1.00 0.00 N ATOM 1443 CA PHE A 94 -4.998 -1.113 6.316 1.00 0.00 C ATOM 1444 C PHE A 94 -5.351 0.349 6.571 1.00 0.00 C ATOM 1445 O PHE A 94 -5.214 1.194 5.686 1.00 0.00 O ATOM 1446 CB PHE A 94 -3.502 -1.337 6.548 1.00 0.00 C ATOM 1447 CG PHE A 94 -2.632 -0.341 5.836 1.00 0.00 C ATOM 1448 CD1 PHE A 94 -2.302 -0.519 4.501 1.00 0.00 C ATOM 1449 CD2 PHE A 94 -2.141 0.771 6.500 1.00 0.00 C ATOM 1450 CE1 PHE A 94 -1.500 0.395 3.844 1.00 0.00 C ATOM 1451 CE2 PHE A 94 -1.339 1.688 5.848 1.00 0.00 C ATOM 1452 CZ PHE A 94 -1.019 1.501 4.518 1.00 0.00 C ATOM 0 H PHE A 94 -5.324 -0.756 4.276 1.00 0.00 H new ATOM 0 HA PHE A 94 -5.564 -1.730 7.014 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -3.297 -1.289 7.617 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -3.237 -2.341 6.218 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -2.676 -1.381 3.969 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -2.388 0.923 7.540 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -1.249 0.245 2.804 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -0.963 2.550 6.378 1.00 0.00 H new ATOM 0 HZ PHE A 94 -0.394 2.218 4.006 1.00 0.00 H new ATOM 1462 N GLU A 95 -5.808 0.639 7.785 1.00 0.00 N ATOM 1463 CA GLU A 95 -6.183 1.999 8.155 1.00 0.00 C ATOM 1464 C GLU A 95 -4.972 2.927 8.113 1.00 0.00 C ATOM 1465 O GLU A 95 -3.877 2.519 7.728 1.00 0.00 O ATOM 1466 CB GLU A 95 -6.806 2.018 9.553 1.00 0.00 C ATOM 1467 CG GLU A 95 -8.236 1.507 9.588 1.00 0.00 C ATOM 1468 CD GLU A 95 -9.091 2.089 8.479 1.00 0.00 C ATOM 1469 OE1 GLU A 95 -8.959 3.300 8.201 1.00 0.00 O ATOM 1470 OE2 GLU A 95 -9.891 1.334 7.887 1.00 0.00 O ATOM 0 H GLU A 95 -5.927 -0.049 8.529 1.00 0.00 H new ATOM 0 HA GLU A 95 -6.918 2.355 7.433 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -6.196 1.411 10.222 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -6.784 3.038 9.938 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -8.232 0.420 9.506 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -8.682 1.752 10.552 1.00 0.00 H new ATOM 1477 N ALA A 96 -5.179 4.177 8.512 1.00 0.00 N ATOM 1478 CA ALA A 96 -4.106 5.164 8.522 1.00 0.00 C ATOM 1479 C ALA A 96 -3.500 5.303 9.915 1.00 0.00 C ATOM 1480 O ALA A 96 -2.380 5.786 10.069 1.00 0.00 O ATOM 1481 CB ALA A 96 -4.620 6.509 8.032 1.00 0.00 C ATOM 0 H ALA A 96 -6.080 4.531 8.833 1.00 0.00 H new ATOM 0 HA ALA A 96 -3.323 4.819 7.846 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -3.808 7.236 8.045 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -4.998 6.405 7.015 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -5.423 6.851 8.684 1.00 0.00 H new ATOM 1487 N ASN A 97 -4.250 4.875 10.925 1.00 0.00 N ATOM 1488 CA ASN A 97 -3.787 4.953 12.307 1.00 0.00 C ATOM 1489 C ASN A 97 -2.948 3.731 12.669 1.00 0.00 C ATOM 1490 O ASN A 97 -1.963 3.837 13.401 1.00 0.00 O ATOM 1491 CB ASN A 97 -4.978 5.068 13.261 1.00 0.00 C ATOM 1492 CG ASN A 97 -5.553 3.715 13.633 1.00 0.00 C ATOM 1493 OD1 ASN A 97 -5.301 3.201 14.723 1.00 0.00 O ATOM 1494 ND2 ASN A 97 -6.330 3.133 12.728 1.00 0.00 N ATOM 0 H ASN A 97 -5.180 4.471 10.813 1.00 0.00 H new ATOM 0 HA ASN A 97 -3.164 5.842 12.405 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -4.666 5.589 14.166 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -5.755 5.675 12.796 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -6.746 2.222 12.923 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -6.511 3.597 11.838 1.00 0.00 H new ATOM 1501 N ASP A 98 -3.343 2.574 12.151 1.00 0.00 N ATOM 1502 CA ASP A 98 -2.628 1.332 12.418 1.00 0.00 C ATOM 1503 C ASP A 98 -1.119 1.551 12.356 1.00 0.00 C ATOM 1504 O ASP A 98 -0.380 1.109 13.237 1.00 0.00 O ATOM 1505 CB ASP A 98 -3.041 0.254 11.415 1.00 0.00 C ATOM 1506 CG ASP A 98 -3.226 0.806 10.015 1.00 0.00 C ATOM 1507 OD1 ASP A 98 -2.721 1.915 9.745 1.00 0.00 O ATOM 1508 OD2 ASP A 98 -3.876 0.129 9.191 1.00 0.00 O ATOM 0 H ASP A 98 -4.155 2.470 11.543 1.00 0.00 H new ATOM 0 HA ASP A 98 -2.889 1.000 13.423 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -2.284 -0.530 11.396 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -3.971 -0.209 11.746 1.00 0.00 H new ATOM 1513 N LEU A 99 -0.668 2.233 11.310 1.00 0.00 N ATOM 1514 CA LEU A 99 0.753 2.509 11.131 1.00 0.00 C ATOM 1515 C LEU A 99 1.188 3.698 11.982 1.00 0.00 C ATOM 1516 O LEU A 99 2.192 3.633 12.691 1.00 0.00 O ATOM 1517 CB LEU A 99 1.058 2.784 9.657 1.00 0.00 C ATOM 1518 CG LEU A 99 2.539 2.877 9.284 1.00 0.00 C ATOM 1519 CD1 LEU A 99 3.214 1.523 9.440 1.00 0.00 C ATOM 1520 CD2 LEU A 99 2.699 3.394 7.862 1.00 0.00 C ATOM 0 H LEU A 99 -1.266 2.605 10.572 1.00 0.00 H new ATOM 0 HA LEU A 99 1.312 1.631 11.454 1.00 0.00 H new ATOM 0 HB2 LEU A 99 0.602 1.995 9.059 1.00 0.00 H new ATOM 0 HB3 LEU A 99 0.573 3.719 9.375 1.00 0.00 H new ATOM 0 HG LEU A 99 3.022 3.581 9.962 1.00 0.00 H new ATOM 0 HD11 LEU A 99 4.267 1.608 9.170 1.00 0.00 H new ATOM 0 HD12 LEU A 99 3.130 1.192 10.475 1.00 0.00 H new ATOM 0 HD13 LEU A 99 2.730 0.798 8.786 1.00 0.00 H new ATOM 0 HD21 LEU A 99 3.759 3.454 7.614 1.00 0.00 H new ATOM 0 HD22 LEU A 99 2.202 2.715 7.170 1.00 0.00 H new ATOM 0 HD23 LEU A 99 2.251 4.385 7.782 1.00 0.00 H new ATOM 1532 N PHE A 100 0.423 4.783 11.909 1.00 0.00 N ATOM 1533 CA PHE A 100 0.729 5.986 12.673 1.00 0.00 C ATOM 1534 C PHE A 100 0.862 5.667 14.160 1.00 0.00 C ATOM 1535 O PHE A 100 1.940 5.800 14.739 1.00 0.00 O ATOM 1536 CB PHE A 100 -0.360 7.040 12.463 1.00 0.00 C ATOM 1537 CG PHE A 100 0.094 8.440 12.763 1.00 0.00 C ATOM 1538 CD1 PHE A 100 0.927 9.115 11.887 1.00 0.00 C ATOM 1539 CD2 PHE A 100 -0.312 9.080 13.923 1.00 0.00 C ATOM 1540 CE1 PHE A 100 1.347 10.403 12.159 1.00 0.00 C ATOM 1541 CE2 PHE A 100 0.103 10.369 14.202 1.00 0.00 C ATOM 1542 CZ PHE A 100 0.935 11.030 13.319 1.00 0.00 C ATOM 0 H PHE A 100 -0.413 4.853 11.329 1.00 0.00 H new ATOM 0 HA PHE A 100 1.681 6.380 12.316 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -0.706 6.992 11.430 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -1.214 6.800 13.097 1.00 0.00 H new ATOM 0 HD1 PHE A 100 1.253 8.629 10.979 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -0.960 8.566 14.617 1.00 0.00 H new ATOM 0 HE1 PHE A 100 1.996 10.918 11.466 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -0.222 10.858 15.108 1.00 0.00 H new ATOM 0 HZ PHE A 100 1.263 12.036 13.535 1.00 0.00 H new ATOM 1552 N GLU A 101 -0.240 5.245 14.770 1.00 0.00 N ATOM 1553 CA GLU A 101 -0.247 4.907 16.189 1.00 0.00 C ATOM 1554 C GLU A 101 0.035 3.423 16.396 1.00 0.00 C ATOM 1555 O GLU A 101 -0.420 2.824 17.371 1.00 0.00 O ATOM 1556 CB GLU A 101 -1.592 5.276 16.817 1.00 0.00 C ATOM 1557 CG GLU A 101 -1.980 6.731 16.617 1.00 0.00 C ATOM 1558 CD GLU A 101 -3.209 7.122 17.416 1.00 0.00 C ATOM 1559 OE1 GLU A 101 -3.347 6.647 18.562 1.00 0.00 O ATOM 1560 OE2 GLU A 101 -4.032 7.902 16.893 1.00 0.00 O ATOM 0 H GLU A 101 -1.140 5.129 14.304 1.00 0.00 H new ATOM 0 HA GLU A 101 0.542 5.479 16.677 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -2.368 4.640 16.391 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -1.555 5.062 17.885 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -1.145 7.369 16.906 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -2.167 6.911 15.558 1.00 0.00 H new ATOM 1567 N SER A 102 0.787 2.834 15.472 1.00 0.00 N ATOM 1568 CA SER A 102 1.127 1.418 15.551 1.00 0.00 C ATOM 1569 C SER A 102 -0.087 0.590 15.962 1.00 0.00 C ATOM 1570 O SER A 102 0.050 -0.498 16.518 1.00 0.00 O ATOM 1571 CB SER A 102 2.268 1.200 16.546 1.00 0.00 C ATOM 1572 OG SER A 102 1.853 1.488 17.869 1.00 0.00 O ATOM 0 H SER A 102 1.173 3.315 14.660 1.00 0.00 H new ATOM 0 HA SER A 102 1.450 1.092 14.562 1.00 0.00 H new ATOM 0 HB2 SER A 102 2.614 0.168 16.487 1.00 0.00 H new ATOM 0 HB3 SER A 102 3.113 1.835 16.280 1.00 0.00 H new ATOM 0 HG SER A 102 0.902 1.723 17.870 1.00 0.00 H new ATOM 1578 N GLY A 103 -1.276 1.117 15.683 1.00 0.00 N ATOM 1579 CA GLY A 103 -2.497 0.414 16.030 1.00 0.00 C ATOM 1580 C GLY A 103 -2.570 -0.966 15.408 1.00 0.00 C ATOM 1581 O GLY A 103 -3.374 -1.800 15.824 1.00 0.00 O ATOM 0 H GLY A 103 -1.415 2.017 15.224 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -2.565 0.324 17.114 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -3.356 1.001 15.704 1.00 0.00 H new ATOM 1585 N ASN A 104 -1.728 -1.208 14.408 1.00 0.00 N ATOM 1586 CA ASN A 104 -1.702 -2.496 13.726 1.00 0.00 C ATOM 1587 C ASN A 104 -0.558 -2.554 12.718 1.00 0.00 C ATOM 1588 O ASN A 104 -0.557 -1.831 11.723 1.00 0.00 O ATOM 1589 CB ASN A 104 -3.034 -2.749 13.017 1.00 0.00 C ATOM 1590 CG ASN A 104 -3.343 -4.227 12.878 1.00 0.00 C ATOM 1591 OD1 ASN A 104 -2.443 -5.065 12.895 1.00 0.00 O ATOM 1592 ND2 ASN A 104 -4.623 -4.552 12.740 1.00 0.00 N ATOM 0 H ASN A 104 -1.055 -0.529 14.053 1.00 0.00 H new ATOM 0 HA ASN A 104 -1.544 -3.272 14.475 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -3.836 -2.264 13.573 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -3.009 -2.291 12.028 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -4.893 -5.531 12.643 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -5.336 -3.823 12.731 1.00 0.00 H new ATOM 1599 N MET A 105 0.414 -3.422 12.984 1.00 0.00 N ATOM 1600 CA MET A 105 1.563 -3.576 12.099 1.00 0.00 C ATOM 1601 C MET A 105 1.397 -4.797 11.200 1.00 0.00 C ATOM 1602 O MET A 105 2.147 -4.981 10.241 1.00 0.00 O ATOM 1603 CB MET A 105 2.850 -3.700 12.917 1.00 0.00 C ATOM 1604 CG MET A 105 3.532 -2.368 13.184 1.00 0.00 C ATOM 1605 SD MET A 105 4.755 -1.949 11.926 1.00 0.00 S ATOM 1606 CE MET A 105 3.710 -1.781 10.481 1.00 0.00 C ATOM 0 H MET A 105 0.428 -4.028 13.804 1.00 0.00 H new ATOM 0 HA MET A 105 1.626 -2.689 11.468 1.00 0.00 H new ATOM 0 HB2 MET A 105 2.621 -4.179 13.869 1.00 0.00 H new ATOM 0 HB3 MET A 105 3.544 -4.355 12.390 1.00 0.00 H new ATOM 0 HG2 MET A 105 2.779 -1.581 13.229 1.00 0.00 H new ATOM 0 HG3 MET A 105 4.017 -2.402 14.160 1.00 0.00 H new ATOM 0 HE1 MET A 105 4.267 -1.288 9.685 1.00 0.00 H new ATOM 0 HE2 MET A 105 3.393 -2.768 10.144 1.00 0.00 H new ATOM 0 HE3 MET A 105 2.833 -1.185 10.733 1.00 0.00 H new ATOM 1616 N THR A 106 0.410 -5.630 11.518 1.00 0.00 N ATOM 1617 CA THR A 106 0.147 -6.834 10.740 1.00 0.00 C ATOM 1618 C THR A 106 -0.768 -6.537 9.558 1.00 0.00 C ATOM 1619 O THR A 106 -0.632 -7.132 8.490 1.00 0.00 O ATOM 1620 CB THR A 106 -0.494 -7.933 11.607 1.00 0.00 C ATOM 1621 OG1 THR A 106 -1.881 -7.646 11.817 1.00 0.00 O ATOM 1622 CG2 THR A 106 0.215 -8.046 12.949 1.00 0.00 C ATOM 0 H THR A 106 -0.220 -5.492 12.309 1.00 0.00 H new ATOM 0 HA THR A 106 1.109 -7.188 10.370 1.00 0.00 H new ATOM 0 HB THR A 106 -0.396 -8.883 11.081 1.00 0.00 H new ATOM 0 HG1 THR A 106 -1.976 -6.744 12.188 1.00 0.00 H new ATOM 0 HG21 THR A 106 -0.255 -8.829 13.544 1.00 0.00 H new ATOM 0 HG22 THR A 106 1.264 -8.294 12.787 1.00 0.00 H new ATOM 0 HG23 THR A 106 0.145 -7.096 13.479 1.00 0.00 H new ATOM 1630 N GLN A 107 -1.702 -5.611 9.756 1.00 0.00 N ATOM 1631 CA GLN A 107 -2.641 -5.235 8.706 1.00 0.00 C ATOM 1632 C GLN A 107 -1.944 -4.419 7.622 1.00 0.00 C ATOM 1633 O GLN A 107 -2.366 -4.417 6.465 1.00 0.00 O ATOM 1634 CB GLN A 107 -3.805 -4.437 9.294 1.00 0.00 C ATOM 1635 CG GLN A 107 -5.108 -4.608 8.532 1.00 0.00 C ATOM 1636 CD GLN A 107 -5.791 -5.927 8.834 1.00 0.00 C ATOM 1637 OE1 GLN A 107 -6.146 -6.207 9.980 1.00 0.00 O ATOM 1638 NE2 GLN A 107 -5.982 -6.746 7.807 1.00 0.00 N ATOM 0 H GLN A 107 -1.828 -5.108 10.634 1.00 0.00 H new ATOM 0 HA GLN A 107 -3.029 -6.148 8.255 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -3.957 -4.742 10.329 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -3.539 -3.380 9.309 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -5.782 -3.789 8.783 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -4.910 -4.542 7.462 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -5.672 -6.475 6.874 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -6.439 -7.647 7.951 1.00 0.00 H new ATOM 1647 N VAL A 108 -0.877 -3.726 8.003 1.00 0.00 N ATOM 1648 CA VAL A 108 -0.121 -2.906 7.063 1.00 0.00 C ATOM 1649 C VAL A 108 0.913 -3.738 6.315 1.00 0.00 C ATOM 1650 O VAL A 108 1.287 -3.415 5.188 1.00 0.00 O ATOM 1651 CB VAL A 108 0.592 -1.744 7.779 1.00 0.00 C ATOM 1652 CG1 VAL A 108 1.432 -0.945 6.795 1.00 0.00 C ATOM 1653 CG2 VAL A 108 -0.420 -0.849 8.479 1.00 0.00 C ATOM 0 H VAL A 108 -0.516 -3.715 8.957 1.00 0.00 H new ATOM 0 HA VAL A 108 -0.839 -2.499 6.351 1.00 0.00 H new ATOM 0 HB VAL A 108 1.259 -2.160 8.534 1.00 0.00 H new ATOM 0 HG11 VAL A 108 1.928 -0.128 7.319 1.00 0.00 H new ATOM 0 HG12 VAL A 108 2.182 -1.595 6.345 1.00 0.00 H new ATOM 0 HG13 VAL A 108 0.789 -0.538 6.015 1.00 0.00 H new ATOM 0 HG21 VAL A 108 0.101 -0.033 8.980 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -1.113 -0.440 7.744 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -0.974 -1.432 9.215 1.00 0.00 H new ATOM 1663 N GLN A 109 1.371 -4.813 6.949 1.00 0.00 N ATOM 1664 CA GLN A 109 2.362 -5.693 6.343 1.00 0.00 C ATOM 1665 C GLN A 109 1.744 -6.520 5.221 1.00 0.00 C ATOM 1666 O GLN A 109 2.264 -6.561 4.106 1.00 0.00 O ATOM 1667 CB GLN A 109 2.969 -6.618 7.399 1.00 0.00 C ATOM 1668 CG GLN A 109 4.129 -7.454 6.883 1.00 0.00 C ATOM 1669 CD GLN A 109 5.119 -7.815 7.972 1.00 0.00 C ATOM 1670 OE1 GLN A 109 5.145 -7.193 9.035 1.00 0.00 O ATOM 1671 NE2 GLN A 109 5.941 -8.826 7.714 1.00 0.00 N ATOM 0 H GLN A 109 1.071 -5.095 7.882 1.00 0.00 H new ATOM 0 HA GLN A 109 3.150 -5.071 5.919 1.00 0.00 H new ATOM 0 HB2 GLN A 109 3.312 -6.018 8.242 1.00 0.00 H new ATOM 0 HB3 GLN A 109 2.192 -7.283 7.776 1.00 0.00 H new ATOM 0 HG2 GLN A 109 3.741 -8.368 6.433 1.00 0.00 H new ATOM 0 HG3 GLN A 109 4.645 -6.905 6.096 1.00 0.00 H new ATOM 0 HE21 GLN A 109 5.885 -9.314 6.820 1.00 0.00 H new ATOM 0 HE22 GLN A 109 6.628 -9.115 8.410 1.00 0.00 H new ATOM 1680 N VAL A 110 0.630 -7.180 5.523 1.00 0.00 N ATOM 1681 CA VAL A 110 -0.061 -8.006 4.541 1.00 0.00 C ATOM 1682 C VAL A 110 -0.467 -7.185 3.322 1.00 0.00 C ATOM 1683 O VAL A 110 -0.353 -7.645 2.186 1.00 0.00 O ATOM 1684 CB VAL A 110 -1.315 -8.665 5.145 1.00 0.00 C ATOM 1685 CG1 VAL A 110 -0.925 -9.733 6.154 1.00 0.00 C ATOM 1686 CG2 VAL A 110 -2.211 -7.616 5.785 1.00 0.00 C ATOM 0 H VAL A 110 0.187 -7.158 6.441 1.00 0.00 H new ATOM 0 HA VAL A 110 0.637 -8.785 4.234 1.00 0.00 H new ATOM 0 HB VAL A 110 -1.873 -9.146 4.342 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -1.825 -10.187 6.570 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -0.327 -10.499 5.660 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -0.343 -9.280 6.957 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -3.092 -8.099 6.207 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -1.664 -7.104 6.577 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -2.520 -6.892 5.031 1.00 0.00 H new ATOM 1696 N SER A 111 -0.941 -5.968 3.566 1.00 0.00 N ATOM 1697 CA SER A 111 -1.369 -5.084 2.488 1.00 0.00 C ATOM 1698 C SER A 111 -0.312 -5.017 1.389 1.00 0.00 C ATOM 1699 O SER A 111 -0.622 -5.153 0.205 1.00 0.00 O ATOM 1700 CB SER A 111 -1.646 -3.680 3.031 1.00 0.00 C ATOM 1701 OG SER A 111 -2.601 -3.004 2.232 1.00 0.00 O ATOM 0 H SER A 111 -1.039 -5.571 4.501 1.00 0.00 H new ATOM 0 HA SER A 111 -2.287 -5.489 2.062 1.00 0.00 H new ATOM 0 HB2 SER A 111 -2.008 -3.748 4.057 1.00 0.00 H new ATOM 0 HB3 SER A 111 -0.719 -3.107 3.058 1.00 0.00 H new ATOM 0 HG SER A 111 -3.374 -3.588 2.082 1.00 0.00 H new ATOM 1707 N LEU A 112 0.936 -4.809 1.791 1.00 0.00 N ATOM 1708 CA LEU A 112 2.041 -4.724 0.841 1.00 0.00 C ATOM 1709 C LEU A 112 2.339 -6.089 0.229 1.00 0.00 C ATOM 1710 O LEU A 112 2.555 -6.205 -0.978 1.00 0.00 O ATOM 1711 CB LEU A 112 3.292 -4.177 1.531 1.00 0.00 C ATOM 1712 CG LEU A 112 3.117 -2.868 2.301 1.00 0.00 C ATOM 1713 CD1 LEU A 112 4.408 -2.488 3.009 1.00 0.00 C ATOM 1714 CD2 LEU A 112 2.671 -1.755 1.366 1.00 0.00 C ATOM 0 H LEU A 112 1.209 -4.696 2.767 1.00 0.00 H new ATOM 0 HA LEU A 112 1.749 -4.044 0.041 1.00 0.00 H new ATOM 0 HB2 LEU A 112 3.662 -4.935 2.222 1.00 0.00 H new ATOM 0 HB3 LEU A 112 4.064 -4.030 0.776 1.00 0.00 H new ATOM 0 HG LEU A 112 2.343 -3.013 3.055 1.00 0.00 H new ATOM 0 HD11 LEU A 112 4.264 -1.554 3.552 1.00 0.00 H new ATOM 0 HD12 LEU A 112 4.684 -3.276 3.710 1.00 0.00 H new ATOM 0 HD13 LEU A 112 5.203 -2.362 2.274 1.00 0.00 H new ATOM 0 HD21 LEU A 112 2.551 -0.831 1.931 1.00 0.00 H new ATOM 0 HD22 LEU A 112 3.421 -1.610 0.589 1.00 0.00 H new ATOM 0 HD23 LEU A 112 1.720 -2.025 0.907 1.00 0.00 H new ATOM 1726 N LEU A 113 2.346 -7.118 1.068 1.00 0.00 N ATOM 1727 CA LEU A 113 2.615 -8.477 0.610 1.00 0.00 C ATOM 1728 C LEU A 113 1.582 -8.917 -0.423 1.00 0.00 C ATOM 1729 O LEU A 113 1.866 -9.751 -1.283 1.00 0.00 O ATOM 1730 CB LEU A 113 2.614 -9.445 1.793 1.00 0.00 C ATOM 1731 CG LEU A 113 3.913 -9.524 2.596 1.00 0.00 C ATOM 1732 CD1 LEU A 113 3.701 -10.318 3.877 1.00 0.00 C ATOM 1733 CD2 LEU A 113 5.020 -10.146 1.759 1.00 0.00 C ATOM 0 H LEU A 113 2.169 -7.038 2.069 1.00 0.00 H new ATOM 0 HA LEU A 113 3.599 -8.488 0.141 1.00 0.00 H new ATOM 0 HB2 LEU A 113 1.809 -9.159 2.470 1.00 0.00 H new ATOM 0 HB3 LEU A 113 2.379 -10.442 1.421 1.00 0.00 H new ATOM 0 HG LEU A 113 4.213 -8.511 2.865 1.00 0.00 H new ATOM 0 HD11 LEU A 113 4.636 -10.364 4.436 1.00 0.00 H new ATOM 0 HD12 LEU A 113 2.939 -9.831 4.485 1.00 0.00 H new ATOM 0 HD13 LEU A 113 3.377 -11.329 3.629 1.00 0.00 H new ATOM 0 HD21 LEU A 113 5.937 -10.194 2.346 1.00 0.00 H new ATOM 0 HD22 LEU A 113 4.728 -11.152 1.459 1.00 0.00 H new ATOM 0 HD23 LEU A 113 5.190 -9.538 0.871 1.00 0.00 H new ATOM 1745 N ALA A 114 0.384 -8.350 -0.333 1.00 0.00 N ATOM 1746 CA ALA A 114 -0.690 -8.681 -1.262 1.00 0.00 C ATOM 1747 C ALA A 114 -0.633 -7.798 -2.504 1.00 0.00 C ATOM 1748 O ALA A 114 -0.816 -8.273 -3.625 1.00 0.00 O ATOM 1749 CB ALA A 114 -2.041 -8.544 -0.577 1.00 0.00 C ATOM 0 H ALA A 114 0.132 -7.659 0.374 1.00 0.00 H new ATOM 0 HA ALA A 114 -0.558 -9.716 -1.577 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -2.834 -8.794 -1.282 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -2.087 -9.221 0.276 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -2.172 -7.518 -0.233 1.00 0.00 H new ATOM 1755 N LEU A 115 -0.379 -6.510 -2.297 1.00 0.00 N ATOM 1756 CA LEU A 115 -0.298 -5.559 -3.401 1.00 0.00 C ATOM 1757 C LEU A 115 0.880 -5.884 -4.315 1.00 0.00 C ATOM 1758 O LEU A 115 0.819 -5.664 -5.523 1.00 0.00 O ATOM 1759 CB LEU A 115 -0.164 -4.134 -2.863 1.00 0.00 C ATOM 1760 CG LEU A 115 0.431 -3.106 -3.827 1.00 0.00 C ATOM 1761 CD1 LEU A 115 -0.659 -2.500 -4.698 1.00 0.00 C ATOM 1762 CD2 LEU A 115 1.169 -2.019 -3.059 1.00 0.00 C ATOM 0 H LEU A 115 -0.226 -6.100 -1.376 1.00 0.00 H new ATOM 0 HA LEU A 115 -1.216 -5.636 -3.983 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -1.152 -3.788 -2.558 1.00 0.00 H new ATOM 0 HB3 LEU A 115 0.455 -4.162 -1.966 1.00 0.00 H new ATOM 0 HG LEU A 115 1.146 -3.614 -4.475 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -0.218 -1.771 -5.378 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -1.143 -3.288 -5.275 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -1.398 -2.007 -4.066 1.00 0.00 H new ATOM 0 HD21 LEU A 115 1.586 -1.297 -3.761 1.00 0.00 H new ATOM 0 HD22 LEU A 115 0.475 -1.514 -2.387 1.00 0.00 H new ATOM 0 HD23 LEU A 115 1.975 -2.467 -2.478 1.00 0.00 H new ATOM 1774 N ALA A 116 1.949 -6.411 -3.727 1.00 0.00 N ATOM 1775 CA ALA A 116 3.140 -6.769 -4.489 1.00 0.00 C ATOM 1776 C ALA A 116 2.903 -8.029 -5.316 1.00 0.00 C ATOM 1777 O ALA A 116 3.141 -8.043 -6.523 1.00 0.00 O ATOM 1778 CB ALA A 116 4.324 -6.964 -3.554 1.00 0.00 C ATOM 0 H ALA A 116 2.015 -6.599 -2.727 1.00 0.00 H new ATOM 0 HA ALA A 116 3.363 -5.952 -5.175 1.00 0.00 H new ATOM 0 HB1 ALA A 116 5.207 -7.231 -4.135 1.00 0.00 H new ATOM 0 HB2 ALA A 116 4.514 -6.039 -3.010 1.00 0.00 H new ATOM 0 HB3 ALA A 116 4.101 -7.762 -2.846 1.00 0.00 H new ATOM 1784 N GLY A 117 2.433 -9.084 -4.658 1.00 0.00 N ATOM 1785 CA GLY A 117 2.172 -10.333 -5.349 1.00 0.00 C ATOM 1786 C GLY A 117 1.262 -10.154 -6.548 1.00 0.00 C ATOM 1787 O GLY A 117 1.203 -11.014 -7.426 1.00 0.00 O ATOM 0 H GLY A 117 2.228 -9.096 -3.659 1.00 0.00 H new ATOM 0 HA2 GLY A 117 3.117 -10.768 -5.676 1.00 0.00 H new ATOM 0 HA3 GLY A 117 1.718 -11.041 -4.655 1.00 0.00 H new ATOM 1791 N LYS A 118 0.549 -9.033 -6.585 1.00 0.00 N ATOM 1792 CA LYS A 118 -0.363 -8.743 -7.684 1.00 0.00 C ATOM 1793 C LYS A 118 0.241 -7.717 -8.637 1.00 0.00 C ATOM 1794 O LYS A 118 0.045 -7.790 -9.850 1.00 0.00 O ATOM 1795 CB LYS A 118 -1.699 -8.228 -7.142 1.00 0.00 C ATOM 1796 CG LYS A 118 -2.634 -7.711 -8.222 1.00 0.00 C ATOM 1797 CD LYS A 118 -4.081 -7.712 -7.755 1.00 0.00 C ATOM 1798 CE LYS A 118 -4.308 -6.697 -6.646 1.00 0.00 C ATOM 1799 NZ LYS A 118 -5.394 -7.123 -5.719 1.00 0.00 N ATOM 0 H LYS A 118 0.586 -8.311 -5.866 1.00 0.00 H new ATOM 0 HA LYS A 118 -0.533 -9.668 -8.236 1.00 0.00 H new ATOM 0 HB2 LYS A 118 -2.195 -9.032 -6.598 1.00 0.00 H new ATOM 0 HB3 LYS A 118 -1.507 -7.429 -6.426 1.00 0.00 H new ATOM 0 HG2 LYS A 118 -2.342 -6.699 -8.503 1.00 0.00 H new ATOM 0 HG3 LYS A 118 -2.538 -8.330 -9.114 1.00 0.00 H new ATOM 0 HD2 LYS A 118 -4.736 -7.486 -8.596 1.00 0.00 H new ATOM 0 HD3 LYS A 118 -4.349 -8.707 -7.400 1.00 0.00 H new ATOM 0 HE2 LYS A 118 -3.384 -6.560 -6.084 1.00 0.00 H new ATOM 0 HE3 LYS A 118 -4.562 -5.731 -7.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 -5.311 -6.600 -4.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 -6.318 -6.923 -6.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 -5.312 -8.143 -5.533 1.00 0.00 H new ATOM 1813 N ALA A 119 0.978 -6.761 -8.080 1.00 0.00 N ATOM 1814 CA ALA A 119 1.614 -5.723 -8.880 1.00 0.00 C ATOM 1815 C ALA A 119 2.710 -6.305 -9.765 1.00 0.00 C ATOM 1816 O ALA A 119 3.004 -5.777 -10.838 1.00 0.00 O ATOM 1817 CB ALA A 119 2.182 -4.635 -7.980 1.00 0.00 C ATOM 0 H ALA A 119 1.149 -6.685 -7.077 1.00 0.00 H new ATOM 0 HA ALA A 119 0.855 -5.284 -9.528 1.00 0.00 H new ATOM 0 HB1 ALA A 119 2.654 -3.866 -8.592 1.00 0.00 H new ATOM 0 HB2 ALA A 119 1.377 -4.190 -7.395 1.00 0.00 H new ATOM 0 HB3 ALA A 119 2.922 -5.069 -7.308 1.00 0.00 H new