USER MOD reduce.3.24.130724 H: found=0, std=0, add=764, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 765 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 98 THR OG1 : rot 170:sc= 0 USER MOD Set 1.2: A 100 ASN : amide:sc= -0.036 X(o=-0.036,f=-0.036) USER MOD Set 2.1: A 76 GLN : amide:sc= -0.465 X(o=-0.44,f=-0.5) USER MOD Set 2.2: A 79 GLN : amide:sc= 0.0246 K(o=-0.44,f=-0.95) USER MOD Set 3.1: A 24 ASN : amide:sc=-0.00899 X(o=-0.02,f=-0.02) USER MOD Set 3.2: A 40 GLN : amide:sc= -0.0107 K(o=-0.02,f=-3.6) USER MOD Single : A 19 SER OG : rot -47:sc= 1.1 USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 26 SER OG : rot 15:sc= 1.22 USER MOD Single : A 31 ASN : amide:sc= -0.12 K(o=-0.12,f=-1.4) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= -0.102 USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 HIS : no HD1:sc= -1.57 K(o=-1.6,f=-3.5!) USER MOD Single : A 46 THR OG1 : rot 22:sc= 1.07 USER MOD Single : A 47 GLN : amide:sc= -0.165 K(o=-0.16,f=-1) USER MOD Single : A 48 ASN : amide:sc= -1.77! C(o=-1.8!,f=-4.1!) USER MOD Single : A 50 GLN : amide:sc=-0.000432 X(o=-0.00043,f=-0.083) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 TYR OH : rot 100:sc= -0.227 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= -0.173 (180deg=-0.173) USER MOD Single : A 58 TYR OH : rot 180:sc= -0.0113 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot -24:sc= 0.359 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot 71:sc= 1.23 USER MOD Single : A 90 TYR OH : rot -5:sc= -1.24 USER MOD Single : A 91 ASN : amide:sc= -0.873 K(o=-0.87,f=-5.5!) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 THR OG1 : rot 90:sc= 0.794 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 113 THR OG1 : rot -169:sc= 0.764 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 200 N VAL A 17 -4.365 12.460 -3.980 1.00 0.00 N ATOM 201 CA VAL A 17 -4.031 11.041 -3.997 1.00 0.00 C ATOM 202 C VAL A 17 -3.474 10.623 -5.353 1.00 0.00 C ATOM 203 O VAL A 17 -3.814 11.188 -6.392 1.00 0.00 O ATOM 204 CB VAL A 17 -5.259 10.172 -3.669 1.00 0.00 C ATOM 205 CG1 VAL A 17 -5.644 10.321 -2.205 1.00 0.00 C ATOM 206 CG2 VAL A 17 -6.426 10.535 -4.574 1.00 0.00 C ATOM 0 HA VAL A 17 -3.270 10.886 -3.232 1.00 0.00 H new ATOM 0 HB VAL A 17 -5.001 9.128 -3.848 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -6.514 9.699 -1.992 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -4.811 10.007 -1.576 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -5.883 11.364 -1.996 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -7.285 9.911 -4.328 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -6.686 11.584 -4.429 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -6.144 10.371 -5.614 1.00 0.00 H new ATOM 216 N PRO A 18 -2.597 9.608 -5.345 1.00 0.00 N ATOM 217 CA PRO A 18 -1.974 9.091 -6.567 1.00 0.00 C ATOM 218 C PRO A 18 -2.969 8.353 -7.457 1.00 0.00 C ATOM 219 O PRO A 18 -4.040 7.949 -7.004 1.00 0.00 O ATOM 220 CB PRO A 18 -0.909 8.125 -6.041 1.00 0.00 C ATOM 221 CG PRO A 18 -1.409 7.703 -4.703 1.00 0.00 C ATOM 222 CD PRO A 18 -2.146 8.888 -4.143 1.00 0.00 C ATOM 0 HA PRO A 18 -1.573 9.891 -7.190 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -0.787 7.270 -6.706 1.00 0.00 H new ATOM 0 HB3 PRO A 18 0.064 8.611 -5.965 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -2.067 6.838 -4.787 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -0.584 7.413 -4.052 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -2.986 8.581 -3.520 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -1.498 9.508 -3.523 1.00 0.00 H new ATOM 230 N SER A 19 -2.608 8.180 -8.724 1.00 0.00 N ATOM 231 CA SER A 19 -3.470 7.494 -9.678 1.00 0.00 C ATOM 232 C SER A 19 -2.708 6.389 -10.404 1.00 0.00 C ATOM 233 O SER A 19 -3.147 5.895 -11.441 1.00 0.00 O ATOM 234 CB SER A 19 -4.037 8.489 -10.693 1.00 0.00 C ATOM 235 OG SER A 19 -4.899 7.843 -11.614 1.00 0.00 O ATOM 0 H SER A 19 -1.724 8.506 -9.114 1.00 0.00 H new ATOM 0 HA SER A 19 -4.293 7.041 -9.125 1.00 0.00 H new ATOM 0 HB2 SER A 19 -4.582 9.276 -10.171 1.00 0.00 H new ATOM 0 HB3 SER A 19 -3.220 8.970 -11.231 1.00 0.00 H new ATOM 0 HG SER A 19 -4.472 7.024 -11.943 1.00 0.00 H new ATOM 241 N ALA A 20 -1.562 6.007 -9.848 1.00 0.00 N ATOM 242 CA ALA A 20 -0.739 4.960 -10.440 1.00 0.00 C ATOM 243 C ALA A 20 -0.780 3.688 -9.599 1.00 0.00 C ATOM 244 O ALA A 20 -0.602 3.732 -8.382 1.00 0.00 O ATOM 245 CB ALA A 20 0.695 5.443 -10.599 1.00 0.00 C ATOM 0 H ALA A 20 -1.183 6.407 -8.989 1.00 0.00 H new ATOM 0 HA ALA A 20 -1.144 4.727 -11.425 1.00 0.00 H new ATOM 0 HB1 ALA A 20 1.299 4.651 -11.042 1.00 0.00 H new ATOM 0 HB2 ALA A 20 0.714 6.319 -11.247 1.00 0.00 H new ATOM 0 HB3 ALA A 20 1.101 5.705 -9.622 1.00 0.00 H new ATOM 251 N ALA A 21 -1.016 2.558 -10.256 1.00 0.00 N ATOM 252 CA ALA A 21 -1.079 1.274 -9.569 1.00 0.00 C ATOM 253 C ALA A 21 0.168 0.442 -9.844 1.00 0.00 C ATOM 254 O ALA A 21 0.911 0.688 -10.795 1.00 0.00 O ATOM 255 CB ALA A 21 -2.328 0.512 -9.988 1.00 0.00 C ATOM 0 H ALA A 21 -1.167 2.505 -11.263 1.00 0.00 H new ATOM 0 HA ALA A 21 -1.126 1.466 -8.497 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.362 -0.445 -9.467 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -3.213 1.095 -9.733 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -2.305 0.339 -11.064 1.00 0.00 H new ATOM 261 N PRO A 22 0.407 -0.568 -8.994 1.00 0.00 N ATOM 262 CA PRO A 22 1.565 -1.457 -9.126 1.00 0.00 C ATOM 263 C PRO A 22 1.457 -2.375 -10.339 1.00 0.00 C ATOM 264 O PRO A 22 0.371 -2.846 -10.676 1.00 0.00 O ATOM 265 CB PRO A 22 1.533 -2.275 -7.832 1.00 0.00 C ATOM 266 CG PRO A 22 0.106 -2.254 -7.406 1.00 0.00 C ATOM 267 CD PRO A 22 -0.436 -0.920 -7.839 1.00 0.00 C ATOM 0 HA PRO A 22 2.491 -0.901 -9.273 1.00 0.00 H new ATOM 0 HB2 PRO A 22 1.881 -3.294 -7.999 1.00 0.00 H new ATOM 0 HB3 PRO A 22 2.180 -1.838 -7.071 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -0.451 -3.070 -7.867 1.00 0.00 H new ATOM 0 HG3 PRO A 22 0.019 -2.379 -6.327 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -1.489 -0.984 -8.115 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -0.359 -0.178 -7.044 1.00 0.00 H new ATOM 275 N GLN A 23 2.588 -2.624 -10.990 1.00 0.00 N ATOM 276 CA GLN A 23 2.619 -3.485 -12.166 1.00 0.00 C ATOM 277 C GLN A 23 3.293 -4.816 -11.848 1.00 0.00 C ATOM 278 O GLN A 23 3.763 -5.034 -10.733 1.00 0.00 O ATOM 279 CB GLN A 23 3.352 -2.790 -13.314 1.00 0.00 C ATOM 280 CG GLN A 23 3.210 -1.276 -13.298 1.00 0.00 C ATOM 281 CD GLN A 23 3.796 -0.622 -14.534 1.00 0.00 C ATOM 282 OE1 GLN A 23 3.502 -1.022 -15.661 1.00 0.00 O ATOM 283 NE2 GLN A 23 4.631 0.390 -14.329 1.00 0.00 N ATOM 0 H GLN A 23 3.495 -2.242 -10.723 1.00 0.00 H new ATOM 0 HA GLN A 23 1.590 -3.682 -12.468 1.00 0.00 H new ATOM 0 HB2 GLN A 23 4.410 -3.048 -13.268 1.00 0.00 H new ATOM 0 HB3 GLN A 23 2.972 -3.172 -14.261 1.00 0.00 H new ATOM 0 HG2 GLN A 23 2.155 -1.015 -13.219 1.00 0.00 H new ATOM 0 HG3 GLN A 23 3.704 -0.878 -12.412 1.00 0.00 H new ATOM 0 HE21 GLN A 23 4.847 0.689 -13.378 1.00 0.00 H new ATOM 0 HE22 GLN A 23 5.057 0.869 -15.123 1.00 0.00 H new ATOM 292 N ASN A 24 3.337 -5.702 -12.838 1.00 0.00 N ATOM 293 CA ASN A 24 3.953 -7.013 -12.663 1.00 0.00 C ATOM 294 C ASN A 24 3.216 -7.824 -11.602 1.00 0.00 C ATOM 295 O ASN A 24 3.808 -8.664 -10.924 1.00 0.00 O ATOM 296 CB ASN A 24 5.424 -6.860 -12.273 1.00 0.00 C ATOM 297 CG ASN A 24 6.340 -6.813 -13.481 1.00 0.00 C ATOM 298 OD1 ASN A 24 7.012 -7.793 -13.803 1.00 0.00 O ATOM 299 ND2 ASN A 24 6.372 -5.669 -14.155 1.00 0.00 N ATOM 0 H ASN A 24 2.954 -5.536 -13.769 1.00 0.00 H new ATOM 0 HA ASN A 24 3.889 -7.546 -13.612 1.00 0.00 H new ATOM 0 HB2 ASN A 24 5.549 -5.948 -11.689 1.00 0.00 H new ATOM 0 HB3 ASN A 24 5.715 -7.692 -11.631 1.00 0.00 H new ATOM 0 HD21 ASN A 24 6.971 -5.577 -14.976 1.00 0.00 H new ATOM 0 HD22 ASN A 24 5.798 -4.882 -13.852 1.00 0.00 H new ATOM 306 N LEU A 25 1.920 -7.566 -11.463 1.00 0.00 N ATOM 307 CA LEU A 25 1.100 -8.273 -10.484 1.00 0.00 C ATOM 308 C LEU A 25 1.017 -9.759 -10.815 1.00 0.00 C ATOM 309 O LEU A 25 1.082 -10.151 -11.980 1.00 0.00 O ATOM 310 CB LEU A 25 -0.305 -7.670 -10.437 1.00 0.00 C ATOM 311 CG LEU A 25 -1.291 -8.341 -9.480 1.00 0.00 C ATOM 312 CD1 LEU A 25 -0.868 -8.120 -8.036 1.00 0.00 C ATOM 313 CD2 LEU A 25 -2.700 -7.815 -9.711 1.00 0.00 C ATOM 0 H LEU A 25 1.414 -6.873 -12.015 1.00 0.00 H new ATOM 0 HA LEU A 25 1.569 -8.163 -9.506 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.219 -6.619 -10.160 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.726 -7.701 -11.442 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.287 -9.413 -9.678 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.582 -8.605 -7.370 1.00 0.00 H new ATOM 0 HD12 LEU A 25 0.123 -8.546 -7.878 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.842 -7.051 -7.824 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.388 -8.304 -9.021 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.719 -6.739 -9.541 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.003 -8.026 -10.736 1.00 0.00 H new ATOM 325 N SER A 26 0.870 -10.583 -9.782 1.00 0.00 N ATOM 326 CA SER A 26 0.779 -12.027 -9.963 1.00 0.00 C ATOM 327 C SER A 26 0.348 -12.710 -8.669 1.00 0.00 C ATOM 328 O SER A 26 0.540 -12.175 -7.576 1.00 0.00 O ATOM 329 CB SER A 26 2.123 -12.590 -10.428 1.00 0.00 C ATOM 330 OG SER A 26 2.266 -12.475 -11.833 1.00 0.00 O ATOM 0 H SER A 26 0.811 -10.275 -8.811 1.00 0.00 H new ATOM 0 HA SER A 26 0.027 -12.226 -10.726 1.00 0.00 H new ATOM 0 HB2 SER A 26 2.935 -12.058 -9.932 1.00 0.00 H new ATOM 0 HB3 SER A 26 2.203 -13.637 -10.136 1.00 0.00 H new ATOM 0 HG SER A 26 1.597 -11.849 -12.180 1.00 0.00 H new ATOM 336 N LEU A 27 -0.235 -13.897 -8.799 1.00 0.00 N ATOM 337 CA LEU A 27 -0.693 -14.656 -7.641 1.00 0.00 C ATOM 338 C LEU A 27 -0.095 -16.059 -7.637 1.00 0.00 C ATOM 339 O LEU A 27 -0.616 -16.967 -8.282 1.00 0.00 O ATOM 340 CB LEU A 27 -2.220 -14.740 -7.633 1.00 0.00 C ATOM 341 CG LEU A 27 -2.967 -13.411 -7.756 1.00 0.00 C ATOM 342 CD1 LEU A 27 -4.470 -13.640 -7.741 1.00 0.00 C ATOM 343 CD2 LEU A 27 -2.558 -12.465 -6.637 1.00 0.00 C ATOM 0 H LEU A 27 -0.402 -14.354 -9.695 1.00 0.00 H new ATOM 0 HA LEU A 27 -0.359 -14.137 -6.743 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -2.532 -15.387 -8.453 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -2.532 -15.225 -6.708 1.00 0.00 H new ATOM 0 HG LEU A 27 -2.700 -12.952 -8.708 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -4.985 -12.683 -7.829 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -4.749 -14.281 -8.578 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -4.756 -14.120 -6.805 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -3.099 -11.524 -6.740 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -2.795 -12.917 -5.674 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.486 -12.275 -6.695 1.00 0.00 H new ATOM 355 N GLU A 28 1.002 -16.227 -6.905 1.00 0.00 N ATOM 356 CA GLU A 28 1.670 -17.520 -6.817 1.00 0.00 C ATOM 357 C GLU A 28 0.964 -18.430 -5.815 1.00 0.00 C ATOM 358 O GLU A 28 1.331 -18.481 -4.641 1.00 0.00 O ATOM 359 CB GLU A 28 3.134 -17.337 -6.412 1.00 0.00 C ATOM 360 CG GLU A 28 3.995 -18.562 -6.669 1.00 0.00 C ATOM 361 CD GLU A 28 4.108 -18.898 -8.143 1.00 0.00 C ATOM 362 OE1 GLU A 28 4.658 -18.071 -8.900 1.00 0.00 O ATOM 363 OE2 GLU A 28 3.646 -19.988 -8.540 1.00 0.00 O ATOM 0 H GLU A 28 1.446 -15.485 -6.365 1.00 0.00 H new ATOM 0 HA GLU A 28 1.629 -17.989 -7.800 1.00 0.00 H new ATOM 0 HB2 GLU A 28 3.550 -16.490 -6.958 1.00 0.00 H new ATOM 0 HB3 GLU A 28 3.180 -17.087 -5.352 1.00 0.00 H new ATOM 0 HG2 GLU A 28 4.992 -18.393 -6.262 1.00 0.00 H new ATOM 0 HG3 GLU A 28 3.574 -19.415 -6.137 1.00 0.00 H new ATOM 370 N VAL A 29 -0.051 -19.146 -6.287 1.00 0.00 N ATOM 371 CA VAL A 29 -0.808 -20.054 -5.434 1.00 0.00 C ATOM 372 C VAL A 29 0.119 -21.001 -4.680 1.00 0.00 C ATOM 373 O VAL A 29 0.411 -22.103 -5.146 1.00 0.00 O ATOM 374 CB VAL A 29 -1.816 -20.884 -6.252 1.00 0.00 C ATOM 375 CG1 VAL A 29 -2.562 -21.856 -5.352 1.00 0.00 C ATOM 376 CG2 VAL A 29 -2.786 -19.970 -6.985 1.00 0.00 C ATOM 0 H VAL A 29 -0.368 -19.115 -7.256 1.00 0.00 H new ATOM 0 HA VAL A 29 -1.352 -19.437 -4.719 1.00 0.00 H new ATOM 0 HB VAL A 29 -1.267 -21.463 -6.994 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -3.269 -22.433 -5.947 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -1.850 -22.532 -4.878 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -3.102 -21.301 -4.585 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.491 -20.572 -7.558 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -3.331 -19.363 -6.262 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.232 -19.319 -7.661 1.00 0.00 H new ATOM 386 N ARG A 30 0.578 -20.565 -3.512 1.00 0.00 N ATOM 387 CA ARG A 30 1.473 -21.373 -2.693 1.00 0.00 C ATOM 388 C ARG A 30 0.820 -22.702 -2.324 1.00 0.00 C ATOM 389 O ARG A 30 1.422 -23.764 -2.477 1.00 0.00 O ATOM 390 CB ARG A 30 1.862 -20.614 -1.423 1.00 0.00 C ATOM 391 CG ARG A 30 2.712 -19.382 -1.686 1.00 0.00 C ATOM 392 CD ARG A 30 4.191 -19.730 -1.757 1.00 0.00 C ATOM 393 NE ARG A 30 5.014 -18.563 -2.059 1.00 0.00 N ATOM 394 CZ ARG A 30 6.332 -18.615 -2.222 1.00 0.00 C ATOM 395 NH1 ARG A 30 6.971 -19.771 -2.113 1.00 0.00 N ATOM 396 NH2 ARG A 30 7.012 -17.509 -2.496 1.00 0.00 N ATOM 0 H ARG A 30 0.345 -19.656 -3.111 1.00 0.00 H new ATOM 0 HA ARG A 30 2.372 -21.578 -3.275 1.00 0.00 H new ATOM 0 HB2 ARG A 30 0.956 -20.314 -0.897 1.00 0.00 H new ATOM 0 HB3 ARG A 30 2.407 -21.286 -0.761 1.00 0.00 H new ATOM 0 HG2 ARG A 30 2.401 -18.917 -2.622 1.00 0.00 H new ATOM 0 HG3 ARG A 30 2.547 -18.649 -0.896 1.00 0.00 H new ATOM 0 HD2 ARG A 30 4.508 -20.161 -0.807 1.00 0.00 H new ATOM 0 HD3 ARG A 30 4.348 -20.492 -2.521 1.00 0.00 H new ATOM 0 HE ARG A 30 4.552 -17.658 -2.150 1.00 0.00 H new ATOM 0 HH11 ARG A 30 6.451 -20.623 -1.904 1.00 0.00 H new ATOM 0 HH12 ARG A 30 7.983 -19.808 -2.239 1.00 0.00 H new ATOM 0 HH21 ARG A 30 6.523 -16.618 -2.582 1.00 0.00 H new ATOM 0 HH22 ARG A 30 8.023 -17.550 -2.621 1.00 0.00 H new ATOM 410 N ASN A 31 -0.414 -22.634 -1.836 1.00 0.00 N ATOM 411 CA ASN A 31 -1.148 -23.832 -1.444 1.00 0.00 C ATOM 412 C ASN A 31 -2.629 -23.697 -1.783 1.00 0.00 C ATOM 413 O ASN A 31 -3.069 -22.666 -2.292 1.00 0.00 O ATOM 414 CB ASN A 31 -0.978 -24.092 0.054 1.00 0.00 C ATOM 415 CG ASN A 31 0.397 -24.634 0.394 1.00 0.00 C ATOM 416 OD1 ASN A 31 0.975 -25.413 -0.364 1.00 0.00 O ATOM 417 ND2 ASN A 31 0.928 -24.223 1.539 1.00 0.00 N ATOM 0 H ASN A 31 -0.927 -21.762 -1.702 1.00 0.00 H new ATOM 0 HA ASN A 31 -0.741 -24.676 -2.001 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -1.146 -23.165 0.602 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -1.737 -24.800 0.386 1.00 0.00 H new ATOM 0 HD21 ASN A 31 1.851 -24.554 1.821 1.00 0.00 H new ATOM 0 HD22 ASN A 31 0.413 -23.576 2.137 1.00 0.00 H new ATOM 424 N SER A 32 -3.394 -24.746 -1.497 1.00 0.00 N ATOM 425 CA SER A 32 -4.826 -24.747 -1.774 1.00 0.00 C ATOM 426 C SER A 32 -5.573 -23.869 -0.775 1.00 0.00 C ATOM 427 O SER A 32 -6.776 -23.642 -0.908 1.00 0.00 O ATOM 428 CB SER A 32 -5.375 -26.174 -1.728 1.00 0.00 C ATOM 429 OG SER A 32 -5.547 -26.611 -0.391 1.00 0.00 O ATOM 0 H SER A 32 -3.046 -25.606 -1.074 1.00 0.00 H new ATOM 0 HA SER A 32 -4.978 -24.340 -2.773 1.00 0.00 H new ATOM 0 HB2 SER A 32 -6.329 -26.217 -2.254 1.00 0.00 H new ATOM 0 HB3 SER A 32 -4.693 -26.846 -2.249 1.00 0.00 H new ATOM 0 HG SER A 32 -5.900 -27.525 -0.389 1.00 0.00 H new ATOM 435 N LYS A 33 -4.852 -23.379 0.227 1.00 0.00 N ATOM 436 CA LYS A 33 -5.443 -22.525 1.250 1.00 0.00 C ATOM 437 C LYS A 33 -4.654 -21.228 1.400 1.00 0.00 C ATOM 438 O LYS A 33 -5.004 -20.367 2.206 1.00 0.00 O ATOM 439 CB LYS A 33 -5.494 -23.261 2.591 1.00 0.00 C ATOM 440 CG LYS A 33 -4.130 -23.462 3.227 1.00 0.00 C ATOM 441 CD LYS A 33 -4.248 -23.982 4.650 1.00 0.00 C ATOM 442 CE LYS A 33 -3.084 -23.519 5.511 1.00 0.00 C ATOM 443 NZ LYS A 33 -3.090 -24.172 6.850 1.00 0.00 N ATOM 0 H LYS A 33 -3.856 -23.559 0.353 1.00 0.00 H new ATOM 0 HA LYS A 33 -6.458 -22.278 0.939 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -6.127 -22.701 3.279 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -5.964 -24.233 2.444 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -3.549 -24.164 2.629 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -3.586 -22.518 3.228 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -5.185 -23.638 5.088 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -4.283 -25.071 4.639 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -2.146 -23.741 5.003 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -3.131 -22.437 5.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -2.281 -23.830 7.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -3.974 -23.940 7.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -3.019 -25.203 6.734 1.00 0.00 H new ATOM 457 N SER A 34 -3.588 -21.096 0.617 1.00 0.00 N ATOM 458 CA SER A 34 -2.747 -19.905 0.665 1.00 0.00 C ATOM 459 C SER A 34 -2.426 -19.411 -0.742 1.00 0.00 C ATOM 460 O SER A 34 -2.357 -20.197 -1.688 1.00 0.00 O ATOM 461 CB SER A 34 -1.451 -20.200 1.422 1.00 0.00 C ATOM 462 OG SER A 34 -0.837 -19.002 1.867 1.00 0.00 O ATOM 0 H SER A 34 -3.286 -21.799 -0.058 1.00 0.00 H new ATOM 0 HA SER A 34 -3.296 -19.123 1.190 1.00 0.00 H new ATOM 0 HB2 SER A 34 -1.663 -20.843 2.276 1.00 0.00 H new ATOM 0 HB3 SER A 34 -0.764 -20.746 0.775 1.00 0.00 H new ATOM 0 HG SER A 34 -0.012 -19.217 2.349 1.00 0.00 H new ATOM 468 N ILE A 35 -2.232 -18.103 -0.873 1.00 0.00 N ATOM 469 CA ILE A 35 -1.918 -17.502 -2.163 1.00 0.00 C ATOM 470 C ILE A 35 -0.983 -16.308 -2.001 1.00 0.00 C ATOM 471 O ILE A 35 -1.346 -15.301 -1.394 1.00 0.00 O ATOM 472 CB ILE A 35 -3.192 -17.046 -2.898 1.00 0.00 C ATOM 473 CG1 ILE A 35 -3.954 -18.257 -3.442 1.00 0.00 C ATOM 474 CG2 ILE A 35 -2.840 -16.086 -4.024 1.00 0.00 C ATOM 475 CD1 ILE A 35 -5.351 -17.926 -3.921 1.00 0.00 C ATOM 0 H ILE A 35 -2.287 -17.439 -0.101 1.00 0.00 H new ATOM 0 HA ILE A 35 -1.422 -18.271 -2.756 1.00 0.00 H new ATOM 0 HB ILE A 35 -3.835 -16.523 -2.189 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -3.389 -18.691 -4.267 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -4.016 -19.017 -2.663 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -3.751 -15.773 -4.534 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -2.336 -15.212 -3.612 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.180 -16.584 -4.734 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -5.832 -18.831 -4.293 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -5.933 -17.520 -3.094 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -5.296 -17.189 -4.722 1.00 0.00 H new ATOM 487 N MET A 36 0.221 -16.428 -2.550 1.00 0.00 N ATOM 488 CA MET A 36 1.207 -15.357 -2.469 1.00 0.00 C ATOM 489 C MET A 36 0.965 -14.312 -3.553 1.00 0.00 C ATOM 490 O MET A 36 0.838 -14.645 -4.731 1.00 0.00 O ATOM 491 CB MET A 36 2.622 -15.925 -2.599 1.00 0.00 C ATOM 492 CG MET A 36 3.706 -14.860 -2.615 1.00 0.00 C ATOM 493 SD MET A 36 3.714 -13.855 -1.118 1.00 0.00 S ATOM 494 CE MET A 36 5.227 -14.416 -0.342 1.00 0.00 C ATOM 0 H MET A 36 0.537 -17.256 -3.055 1.00 0.00 H new ATOM 0 HA MET A 36 1.104 -14.876 -1.496 1.00 0.00 H new ATOM 0 HB2 MET A 36 2.808 -16.608 -1.770 1.00 0.00 H new ATOM 0 HB3 MET A 36 2.686 -16.511 -3.516 1.00 0.00 H new ATOM 0 HG2 MET A 36 4.678 -15.338 -2.732 1.00 0.00 H new ATOM 0 HG3 MET A 36 3.562 -14.214 -3.481 1.00 0.00 H new ATOM 0 HE1 MET A 36 5.372 -13.885 0.599 1.00 0.00 H new ATOM 0 HE2 MET A 36 5.161 -15.487 -0.148 1.00 0.00 H new ATOM 0 HE3 MET A 36 6.070 -14.219 -1.004 1.00 0.00 H new ATOM 504 N ILE A 37 0.902 -13.048 -3.147 1.00 0.00 N ATOM 505 CA ILE A 37 0.676 -11.955 -4.084 1.00 0.00 C ATOM 506 C ILE A 37 1.971 -11.206 -4.378 1.00 0.00 C ATOM 507 O ILE A 37 2.582 -10.624 -3.481 1.00 0.00 O ATOM 508 CB ILE A 37 -0.369 -10.959 -3.547 1.00 0.00 C ATOM 509 CG1 ILE A 37 -1.455 -11.700 -2.763 1.00 0.00 C ATOM 510 CG2 ILE A 37 -0.982 -10.166 -4.691 1.00 0.00 C ATOM 511 CD1 ILE A 37 -2.455 -10.779 -2.099 1.00 0.00 C ATOM 0 H ILE A 37 1.004 -12.756 -2.175 1.00 0.00 H new ATOM 0 HA ILE A 37 0.300 -12.402 -5.004 1.00 0.00 H new ATOM 0 HB ILE A 37 0.128 -10.261 -2.873 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -1.985 -12.372 -3.438 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.983 -12.320 -2.001 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -1.718 -9.467 -4.295 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -0.199 -9.613 -5.211 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -1.468 -10.849 -5.388 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -3.195 -11.372 -1.562 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -1.937 -10.124 -1.399 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -2.954 -10.177 -2.858 1.00 0.00 H new ATOM 523 N HIS A 38 2.384 -11.223 -5.642 1.00 0.00 N ATOM 524 CA HIS A 38 3.606 -10.543 -6.055 1.00 0.00 C ATOM 525 C HIS A 38 3.286 -9.333 -6.928 1.00 0.00 C ATOM 526 O HIS A 38 2.731 -9.471 -8.018 1.00 0.00 O ATOM 527 CB HIS A 38 4.519 -11.506 -6.814 1.00 0.00 C ATOM 528 CG HIS A 38 5.023 -12.641 -5.976 1.00 0.00 C ATOM 529 ND1 HIS A 38 5.964 -12.481 -4.980 1.00 0.00 N ATOM 530 CD2 HIS A 38 4.709 -13.957 -5.987 1.00 0.00 C ATOM 531 CE1 HIS A 38 6.208 -13.651 -4.417 1.00 0.00 C ATOM 532 NE2 HIS A 38 5.459 -14.563 -5.010 1.00 0.00 N ATOM 0 H HIS A 38 1.891 -11.700 -6.397 1.00 0.00 H new ATOM 0 HA HIS A 38 4.120 -10.197 -5.158 1.00 0.00 H new ATOM 0 HB2 HIS A 38 3.977 -11.910 -7.669 1.00 0.00 H new ATOM 0 HB3 HIS A 38 5.370 -10.951 -7.209 1.00 0.00 H new ATOM 0 HD2 HIS A 38 4.000 -14.441 -6.643 1.00 0.00 H new ATOM 0 HE1 HIS A 38 6.902 -13.831 -3.609 1.00 0.00 H new ATOM 0 HE2 HIS A 38 5.441 -15.556 -4.779 1.00 0.00 H new ATOM 541 N TRP A 39 3.639 -8.149 -6.441 1.00 0.00 N ATOM 542 CA TRP A 39 3.388 -6.915 -7.177 1.00 0.00 C ATOM 543 C TRP A 39 4.651 -6.063 -7.259 1.00 0.00 C ATOM 544 O TRP A 39 5.699 -6.442 -6.737 1.00 0.00 O ATOM 545 CB TRP A 39 2.264 -6.119 -6.510 1.00 0.00 C ATOM 546 CG TRP A 39 2.606 -5.652 -5.128 1.00 0.00 C ATOM 547 CD1 TRP A 39 3.136 -4.443 -4.778 1.00 0.00 C ATOM 548 CD2 TRP A 39 2.443 -6.388 -3.910 1.00 0.00 C ATOM 549 NE1 TRP A 39 3.312 -4.382 -3.417 1.00 0.00 N ATOM 550 CE2 TRP A 39 2.894 -5.563 -2.861 1.00 0.00 C ATOM 551 CE3 TRP A 39 1.958 -7.662 -3.604 1.00 0.00 C ATOM 552 CZ2 TRP A 39 2.875 -5.973 -1.531 1.00 0.00 C ATOM 553 CZ3 TRP A 39 1.940 -8.068 -2.283 1.00 0.00 C ATOM 554 CH2 TRP A 39 2.395 -7.225 -1.260 1.00 0.00 C ATOM 0 H TRP A 39 4.100 -8.017 -5.540 1.00 0.00 H new ATOM 0 HA TRP A 39 3.085 -7.181 -8.190 1.00 0.00 H new ATOM 0 HB2 TRP A 39 2.024 -5.254 -7.129 1.00 0.00 H new ATOM 0 HB3 TRP A 39 1.368 -6.738 -6.465 1.00 0.00 H new ATOM 0 HD1 TRP A 39 3.381 -3.651 -5.470 1.00 0.00 H new ATOM 0 HE1 TRP A 39 3.692 -3.587 -2.904 1.00 0.00 H new ATOM 0 HE3 TRP A 39 1.604 -8.318 -4.386 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 3.227 -5.326 -0.741 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 1.569 -9.051 -2.035 1.00 0.00 H new ATOM 0 HH2 TRP A 39 2.366 -7.571 -0.237 1.00 0.00 H new ATOM 565 N GLN A 40 4.542 -4.914 -7.916 1.00 0.00 N ATOM 566 CA GLN A 40 5.677 -4.010 -8.066 1.00 0.00 C ATOM 567 C GLN A 40 5.215 -2.557 -8.097 1.00 0.00 C ATOM 568 O GLN A 40 4.086 -2.247 -8.478 1.00 0.00 O ATOM 569 CB GLN A 40 6.453 -4.339 -9.342 1.00 0.00 C ATOM 570 CG GLN A 40 7.112 -5.708 -9.318 1.00 0.00 C ATOM 571 CD GLN A 40 8.359 -5.771 -10.177 1.00 0.00 C ATOM 572 OE1 GLN A 40 8.288 -5.674 -11.403 1.00 0.00 O ATOM 573 NE2 GLN A 40 9.512 -5.933 -9.538 1.00 0.00 N ATOM 0 H GLN A 40 3.681 -4.586 -8.353 1.00 0.00 H new ATOM 0 HA GLN A 40 6.333 -4.145 -7.206 1.00 0.00 H new ATOM 0 HB2 GLN A 40 5.774 -4.287 -10.193 1.00 0.00 H new ATOM 0 HB3 GLN A 40 7.219 -3.579 -9.498 1.00 0.00 H new ATOM 0 HG2 GLN A 40 7.370 -5.965 -8.291 1.00 0.00 H new ATOM 0 HG3 GLN A 40 6.399 -6.456 -9.664 1.00 0.00 H new ATOM 0 HE21 GLN A 40 9.525 -6.009 -8.521 1.00 0.00 H new ATOM 0 HE22 GLN A 40 10.384 -5.981 -10.064 1.00 0.00 H new ATOM 582 N PRO A 41 6.107 -1.643 -7.687 1.00 0.00 N ATOM 583 CA PRO A 41 5.813 -0.207 -7.660 1.00 0.00 C ATOM 584 C PRO A 41 5.699 0.389 -9.059 1.00 0.00 C ATOM 585 O PRO A 41 6.418 0.006 -9.983 1.00 0.00 O ATOM 586 CB PRO A 41 7.016 0.387 -6.922 1.00 0.00 C ATOM 587 CG PRO A 41 8.120 -0.586 -7.153 1.00 0.00 C ATOM 588 CD PRO A 41 7.471 -1.941 -7.220 1.00 0.00 C ATOM 0 HA PRO A 41 4.856 0.004 -7.183 1.00 0.00 H new ATOM 0 HB2 PRO A 41 7.270 1.374 -7.309 1.00 0.00 H new ATOM 0 HB3 PRO A 41 6.809 0.506 -5.858 1.00 0.00 H new ATOM 0 HG2 PRO A 41 8.651 -0.361 -8.078 1.00 0.00 H new ATOM 0 HG3 PRO A 41 8.852 -0.544 -6.347 1.00 0.00 H new ATOM 0 HD2 PRO A 41 7.995 -2.604 -7.908 1.00 0.00 H new ATOM 0 HD3 PRO A 41 7.464 -2.432 -6.247 1.00 0.00 H new ATOM 596 N PRO A 42 4.776 1.348 -9.221 1.00 0.00 N ATOM 597 CA PRO A 42 4.547 2.017 -10.505 1.00 0.00 C ATOM 598 C PRO A 42 5.705 2.929 -10.898 1.00 0.00 C ATOM 599 O PRO A 42 6.612 3.172 -10.104 1.00 0.00 O ATOM 600 CB PRO A 42 3.280 2.839 -10.256 1.00 0.00 C ATOM 601 CG PRO A 42 3.264 3.074 -8.785 1.00 0.00 C ATOM 602 CD PRO A 42 3.884 1.853 -8.164 1.00 0.00 C ATOM 0 HA PRO A 42 4.455 1.305 -11.325 1.00 0.00 H new ATOM 0 HB2 PRO A 42 3.303 3.779 -10.807 1.00 0.00 H new ATOM 0 HB3 PRO A 42 2.389 2.301 -10.581 1.00 0.00 H new ATOM 0 HG2 PRO A 42 3.826 3.971 -8.527 1.00 0.00 H new ATOM 0 HG3 PRO A 42 2.246 3.221 -8.424 1.00 0.00 H new ATOM 0 HD2 PRO A 42 4.436 2.100 -7.257 1.00 0.00 H new ATOM 0 HD3 PRO A 42 3.130 1.116 -7.888 1.00 0.00 H new ATOM 610 N ALA A 43 5.666 3.430 -12.128 1.00 0.00 N ATOM 611 CA ALA A 43 6.710 4.317 -12.625 1.00 0.00 C ATOM 612 C ALA A 43 6.866 5.539 -11.726 1.00 0.00 C ATOM 613 O ALA A 43 5.930 5.967 -11.052 1.00 0.00 O ATOM 614 CB ALA A 43 6.405 4.745 -14.053 1.00 0.00 C ATOM 0 H ALA A 43 4.922 3.237 -12.799 1.00 0.00 H new ATOM 0 HA ALA A 43 7.652 3.769 -12.616 1.00 0.00 H new ATOM 0 HB1 ALA A 43 7.193 5.407 -14.411 1.00 0.00 H new ATOM 0 HB2 ALA A 43 6.352 3.865 -14.693 1.00 0.00 H new ATOM 0 HB3 ALA A 43 5.450 5.270 -14.079 1.00 0.00 H new ATOM 620 N PRO A 44 8.077 6.116 -11.715 1.00 0.00 N ATOM 621 CA PRO A 44 8.384 7.297 -10.903 1.00 0.00 C ATOM 622 C PRO A 44 7.683 8.551 -11.416 1.00 0.00 C ATOM 623 O PRO A 44 7.285 9.414 -10.635 1.00 0.00 O ATOM 624 CB PRO A 44 9.902 7.439 -11.042 1.00 0.00 C ATOM 625 CG PRO A 44 10.226 6.784 -12.340 1.00 0.00 C ATOM 626 CD PRO A 44 9.240 5.660 -12.495 1.00 0.00 C ATOM 0 HA PRO A 44 8.045 7.183 -9.873 1.00 0.00 H new ATOM 0 HB2 PRO A 44 10.203 8.486 -11.041 1.00 0.00 H new ATOM 0 HB3 PRO A 44 10.422 6.957 -10.214 1.00 0.00 H new ATOM 0 HG2 PRO A 44 10.144 7.491 -13.165 1.00 0.00 H new ATOM 0 HG3 PRO A 44 11.249 6.408 -12.343 1.00 0.00 H new ATOM 0 HD2 PRO A 44 8.982 5.493 -13.541 1.00 0.00 H new ATOM 0 HD3 PRO A 44 9.638 4.721 -12.111 1.00 0.00 H new ATOM 634 N ALA A 45 7.536 8.644 -12.734 1.00 0.00 N ATOM 635 CA ALA A 45 6.881 9.791 -13.350 1.00 0.00 C ATOM 636 C ALA A 45 5.414 9.870 -12.942 1.00 0.00 C ATOM 637 O ALA A 45 4.850 10.959 -12.822 1.00 0.00 O ATOM 638 CB ALA A 45 7.006 9.719 -14.865 1.00 0.00 C ATOM 0 H ALA A 45 7.862 7.939 -13.395 1.00 0.00 H new ATOM 0 HA ALA A 45 7.378 10.695 -12.997 1.00 0.00 H new ATOM 0 HB1 ALA A 45 6.512 10.582 -15.312 1.00 0.00 H new ATOM 0 HB2 ALA A 45 8.060 9.719 -15.144 1.00 0.00 H new ATOM 0 HB3 ALA A 45 6.535 8.804 -15.226 1.00 0.00 H new ATOM 644 N THR A 46 4.800 8.711 -12.729 1.00 0.00 N ATOM 645 CA THR A 46 3.398 8.649 -12.336 1.00 0.00 C ATOM 646 C THR A 46 3.231 8.936 -10.849 1.00 0.00 C ATOM 647 O THR A 46 2.198 9.450 -10.419 1.00 0.00 O ATOM 648 CB THR A 46 2.785 7.272 -12.654 1.00 0.00 C ATOM 649 OG1 THR A 46 3.694 6.232 -12.274 1.00 0.00 O ATOM 650 CG2 THR A 46 2.461 7.152 -14.135 1.00 0.00 C ATOM 0 H THR A 46 5.252 7.801 -12.822 1.00 0.00 H new ATOM 0 HA THR A 46 2.875 9.412 -12.912 1.00 0.00 H new ATOM 0 HB THR A 46 1.860 7.171 -12.087 1.00 0.00 H new ATOM 0 HG1 THR A 46 4.322 6.575 -11.604 1.00 0.00 H new ATOM 0 HG21 THR A 46 2.029 6.171 -14.335 1.00 0.00 H new ATOM 0 HG22 THR A 46 1.747 7.927 -14.415 1.00 0.00 H new ATOM 0 HG23 THR A 46 3.374 7.272 -14.718 1.00 0.00 H new ATOM 658 N GLN A 47 4.253 8.602 -10.068 1.00 0.00 N ATOM 659 CA GLN A 47 4.218 8.824 -8.627 1.00 0.00 C ATOM 660 C GLN A 47 3.979 10.297 -8.310 1.00 0.00 C ATOM 661 O GLN A 47 4.434 11.180 -9.035 1.00 0.00 O ATOM 662 CB GLN A 47 5.525 8.357 -7.986 1.00 0.00 C ATOM 663 CG GLN A 47 5.643 6.845 -7.876 1.00 0.00 C ATOM 664 CD GLN A 47 7.028 6.397 -7.451 1.00 0.00 C ATOM 665 OE1 GLN A 47 7.878 7.217 -7.102 1.00 0.00 O ATOM 666 NE2 GLN A 47 7.261 5.090 -7.477 1.00 0.00 N ATOM 0 H GLN A 47 5.115 8.177 -10.409 1.00 0.00 H new ATOM 0 HA GLN A 47 3.393 8.244 -8.215 1.00 0.00 H new ATOM 0 HB2 GLN A 47 6.363 8.737 -8.571 1.00 0.00 H new ATOM 0 HB3 GLN A 47 5.608 8.793 -6.990 1.00 0.00 H new ATOM 0 HG2 GLN A 47 4.910 6.479 -7.157 1.00 0.00 H new ATOM 0 HG3 GLN A 47 5.399 6.394 -8.838 1.00 0.00 H new ATOM 0 HE21 GLN A 47 6.527 4.447 -7.773 1.00 0.00 H new ATOM 0 HE22 GLN A 47 8.174 4.729 -7.201 1.00 0.00 H new ATOM 675 N ASN A 48 3.262 10.553 -7.220 1.00 0.00 N ATOM 676 CA ASN A 48 2.962 11.920 -6.807 1.00 0.00 C ATOM 677 C ASN A 48 3.597 12.231 -5.455 1.00 0.00 C ATOM 678 O ASN A 48 3.766 13.393 -5.089 1.00 0.00 O ATOM 679 CB ASN A 48 1.449 12.132 -6.733 1.00 0.00 C ATOM 680 CG ASN A 48 0.759 11.836 -8.051 1.00 0.00 C ATOM 681 OD1 ASN A 48 1.412 11.649 -9.078 1.00 0.00 O ATOM 682 ND2 ASN A 48 -0.568 11.794 -8.027 1.00 0.00 N ATOM 0 H ASN A 48 2.878 9.833 -6.608 1.00 0.00 H new ATOM 0 HA ASN A 48 3.381 12.598 -7.550 1.00 0.00 H new ATOM 0 HB2 ASN A 48 1.033 11.491 -5.956 1.00 0.00 H new ATOM 0 HB3 ASN A 48 1.243 13.162 -6.441 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -1.088 11.600 -8.883 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -1.068 11.955 -7.152 1.00 0.00 H new ATOM 689 N GLY A 49 3.948 11.182 -4.716 1.00 0.00 N ATOM 690 CA GLY A 49 4.560 11.364 -3.413 1.00 0.00 C ATOM 691 C GLY A 49 5.473 10.214 -3.037 1.00 0.00 C ATOM 692 O GLY A 49 6.252 9.737 -3.861 1.00 0.00 O ATOM 0 H GLY A 49 3.819 10.210 -4.997 1.00 0.00 H new ATOM 0 HA2 GLY A 49 5.130 12.293 -3.409 1.00 0.00 H new ATOM 0 HA3 GLY A 49 3.779 11.466 -2.659 1.00 0.00 H new ATOM 696 N GLN A 50 5.378 9.770 -1.787 1.00 0.00 N ATOM 697 CA GLN A 50 6.205 8.671 -1.303 1.00 0.00 C ATOM 698 C GLN A 50 5.339 7.512 -0.819 1.00 0.00 C ATOM 699 O GLN A 50 4.422 7.701 -0.019 1.00 0.00 O ATOM 700 CB GLN A 50 7.116 9.150 -0.172 1.00 0.00 C ATOM 701 CG GLN A 50 7.909 8.031 0.485 1.00 0.00 C ATOM 702 CD GLN A 50 9.186 8.526 1.136 1.00 0.00 C ATOM 703 OE1 GLN A 50 10.029 9.143 0.484 1.00 0.00 O ATOM 704 NE2 GLN A 50 9.335 8.258 2.428 1.00 0.00 N ATOM 0 H GLN A 50 4.737 10.154 -1.092 1.00 0.00 H new ATOM 0 HA GLN A 50 6.821 8.320 -2.131 1.00 0.00 H new ATOM 0 HB2 GLN A 50 7.810 9.893 -0.565 1.00 0.00 H new ATOM 0 HB3 GLN A 50 6.510 9.648 0.585 1.00 0.00 H new ATOM 0 HG2 GLN A 50 7.288 7.543 1.236 1.00 0.00 H new ATOM 0 HG3 GLN A 50 8.155 7.277 -0.263 1.00 0.00 H new ATOM 0 HE21 GLN A 50 8.611 7.744 2.929 1.00 0.00 H new ATOM 0 HE22 GLN A 50 10.174 8.567 2.919 1.00 0.00 H new ATOM 713 N ILE A 51 5.637 6.313 -1.309 1.00 0.00 N ATOM 714 CA ILE A 51 4.887 5.124 -0.925 1.00 0.00 C ATOM 715 C ILE A 51 5.291 4.643 0.465 1.00 0.00 C ATOM 716 O ILE A 51 6.458 4.341 0.715 1.00 0.00 O ATOM 717 CB ILE A 51 5.094 3.978 -1.933 1.00 0.00 C ATOM 718 CG1 ILE A 51 4.579 4.385 -3.315 1.00 0.00 C ATOM 719 CG2 ILE A 51 4.394 2.716 -1.451 1.00 0.00 C ATOM 720 CD1 ILE A 51 5.174 3.573 -4.444 1.00 0.00 C ATOM 0 H ILE A 51 6.392 6.140 -1.972 1.00 0.00 H new ATOM 0 HA ILE A 51 3.834 5.405 -0.917 1.00 0.00 H new ATOM 0 HB ILE A 51 6.161 3.771 -2.011 1.00 0.00 H new ATOM 0 HG12 ILE A 51 3.494 4.280 -3.335 1.00 0.00 H new ATOM 0 HG13 ILE A 51 4.800 5.439 -3.480 1.00 0.00 H new ATOM 0 HG21 ILE A 51 4.549 1.915 -2.174 1.00 0.00 H new ATOM 0 HG22 ILE A 51 4.804 2.418 -0.486 1.00 0.00 H new ATOM 0 HG23 ILE A 51 3.326 2.909 -1.347 1.00 0.00 H new ATOM 0 HD11 ILE A 51 4.764 3.916 -5.394 1.00 0.00 H new ATOM 0 HD12 ILE A 51 6.257 3.697 -4.450 1.00 0.00 H new ATOM 0 HD13 ILE A 51 4.930 2.520 -4.303 1.00 0.00 H new ATOM 732 N THR A 52 4.317 4.573 1.367 1.00 0.00 N ATOM 733 CA THR A 52 4.570 4.129 2.732 1.00 0.00 C ATOM 734 C THR A 52 4.143 2.678 2.926 1.00 0.00 C ATOM 735 O THR A 52 4.747 1.942 3.705 1.00 0.00 O ATOM 736 CB THR A 52 3.831 5.010 3.756 1.00 0.00 C ATOM 737 OG1 THR A 52 2.415 4.851 3.608 1.00 0.00 O ATOM 738 CG2 THR A 52 4.203 6.475 3.578 1.00 0.00 C ATOM 0 H THR A 52 3.345 4.818 1.177 1.00 0.00 H new ATOM 0 HA THR A 52 5.644 4.215 2.898 1.00 0.00 H new ATOM 0 HB THR A 52 4.129 4.694 4.756 1.00 0.00 H new ATOM 0 HG1 THR A 52 1.952 5.413 4.264 1.00 0.00 H new ATOM 0 HG21 THR A 52 3.669 7.078 4.312 1.00 0.00 H new ATOM 0 HG22 THR A 52 5.277 6.598 3.720 1.00 0.00 H new ATOM 0 HG23 THR A 52 3.930 6.800 2.574 1.00 0.00 H new ATOM 746 N GLY A 53 3.098 2.272 2.210 1.00 0.00 N ATOM 747 CA GLY A 53 2.609 0.910 2.318 1.00 0.00 C ATOM 748 C GLY A 53 1.562 0.586 1.271 1.00 0.00 C ATOM 749 O GLY A 53 1.070 1.477 0.578 1.00 0.00 O ATOM 0 H GLY A 53 2.582 2.862 1.557 1.00 0.00 H new ATOM 0 HA2 GLY A 53 3.445 0.218 2.218 1.00 0.00 H new ATOM 0 HA3 GLY A 53 2.186 0.757 3.311 1.00 0.00 H new ATOM 753 N TYR A 54 1.221 -0.693 1.155 1.00 0.00 N ATOM 754 CA TYR A 54 0.228 -1.133 0.182 1.00 0.00 C ATOM 755 C TYR A 54 -0.981 -1.749 0.878 1.00 0.00 C ATOM 756 O TYR A 54 -0.885 -2.229 2.008 1.00 0.00 O ATOM 757 CB TYR A 54 0.845 -2.146 -0.784 1.00 0.00 C ATOM 758 CG TYR A 54 1.809 -1.530 -1.773 1.00 0.00 C ATOM 759 CD1 TYR A 54 3.087 -1.150 -1.382 1.00 0.00 C ATOM 760 CD2 TYR A 54 1.442 -1.328 -3.098 1.00 0.00 C ATOM 761 CE1 TYR A 54 3.971 -0.586 -2.282 1.00 0.00 C ATOM 762 CE2 TYR A 54 2.320 -0.767 -4.004 1.00 0.00 C ATOM 763 CZ TYR A 54 3.583 -0.397 -3.592 1.00 0.00 C ATOM 764 OH TYR A 54 4.460 0.164 -4.492 1.00 0.00 O ATOM 0 H TYR A 54 1.617 -1.442 1.722 1.00 0.00 H new ATOM 0 HA TYR A 54 -0.105 -0.260 -0.380 1.00 0.00 H new ATOM 0 HB2 TYR A 54 1.367 -2.912 -0.210 1.00 0.00 H new ATOM 0 HB3 TYR A 54 0.046 -2.647 -1.331 1.00 0.00 H new ATOM 0 HD1 TYR A 54 3.395 -1.298 -0.357 1.00 0.00 H new ATOM 0 HD2 TYR A 54 0.453 -1.615 -3.425 1.00 0.00 H new ATOM 0 HE1 TYR A 54 4.960 -0.295 -1.961 1.00 0.00 H new ATOM 0 HE2 TYR A 54 2.019 -0.619 -5.031 1.00 0.00 H new ATOM 0 HH TYR A 54 4.871 -0.543 -5.033 1.00 0.00 H new ATOM 774 N LYS A 55 -2.121 -1.732 0.196 1.00 0.00 N ATOM 775 CA LYS A 55 -3.351 -2.290 0.745 1.00 0.00 C ATOM 776 C LYS A 55 -3.875 -3.422 -0.133 1.00 0.00 C ATOM 777 O LYS A 55 -4.418 -3.183 -1.212 1.00 0.00 O ATOM 778 CB LYS A 55 -4.416 -1.199 0.877 1.00 0.00 C ATOM 779 CG LYS A 55 -5.393 -1.438 2.015 1.00 0.00 C ATOM 780 CD LYS A 55 -5.923 -0.130 2.578 1.00 0.00 C ATOM 781 CE LYS A 55 -6.758 0.622 1.553 1.00 0.00 C ATOM 782 NZ LYS A 55 -7.518 1.744 2.170 1.00 0.00 N ATOM 0 H LYS A 55 -2.219 -1.337 -0.739 1.00 0.00 H new ATOM 0 HA LYS A 55 -3.128 -2.693 1.733 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -3.923 -0.238 1.028 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -4.971 -1.129 -0.059 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -6.225 -2.046 1.660 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -4.900 -2.003 2.806 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -6.527 -0.332 3.463 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -5.088 0.494 2.897 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -6.107 1.012 0.770 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -7.454 -0.068 1.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -8.074 2.231 1.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -8.158 1.370 2.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -6.854 2.416 2.604 1.00 0.00 H new ATOM 796 N ILE A 56 -3.710 -4.654 0.337 1.00 0.00 N ATOM 797 CA ILE A 56 -4.169 -5.822 -0.405 1.00 0.00 C ATOM 798 C ILE A 56 -5.534 -6.287 0.091 1.00 0.00 C ATOM 799 O ILE A 56 -5.715 -6.558 1.278 1.00 0.00 O ATOM 800 CB ILE A 56 -3.170 -6.989 -0.292 1.00 0.00 C ATOM 801 CG1 ILE A 56 -1.763 -6.523 -0.673 1.00 0.00 C ATOM 802 CG2 ILE A 56 -3.607 -8.148 -1.175 1.00 0.00 C ATOM 803 CD1 ILE A 56 -0.662 -7.305 0.009 1.00 0.00 C ATOM 0 H ILE A 56 -3.262 -4.869 1.228 1.00 0.00 H new ATOM 0 HA ILE A 56 -4.248 -5.521 -1.450 1.00 0.00 H new ATOM 0 HB ILE A 56 -3.151 -7.333 0.742 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -1.641 -6.606 -1.753 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -1.658 -5.468 -0.421 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -2.891 -8.965 -1.084 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -4.592 -8.493 -0.862 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -3.651 -7.818 -2.213 1.00 0.00 H new ATOM 0 HD11 ILE A 56 0.307 -6.920 -0.308 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -0.758 -7.201 1.090 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -0.741 -8.358 -0.263 1.00 0.00 H new ATOM 815 N ARG A 57 -6.491 -6.378 -0.827 1.00 0.00 N ATOM 816 CA ARG A 57 -7.840 -6.810 -0.483 1.00 0.00 C ATOM 817 C ARG A 57 -8.289 -7.958 -1.383 1.00 0.00 C ATOM 818 O ARG A 57 -7.866 -8.059 -2.535 1.00 0.00 O ATOM 819 CB ARG A 57 -8.819 -5.641 -0.603 1.00 0.00 C ATOM 820 CG ARG A 57 -8.832 -4.730 0.614 1.00 0.00 C ATOM 821 CD ARG A 57 -9.750 -3.536 0.406 1.00 0.00 C ATOM 822 NE ARG A 57 -11.115 -3.813 0.845 1.00 0.00 N ATOM 823 CZ ARG A 57 -12.166 -3.085 0.483 1.00 0.00 C ATOM 824 NH1 ARG A 57 -12.008 -2.042 -0.321 1.00 0.00 N ATOM 825 NH2 ARG A 57 -13.377 -3.400 0.924 1.00 0.00 N ATOM 0 H ARG A 57 -6.357 -6.158 -1.814 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.830 -7.162 0.549 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -8.563 -5.053 -1.484 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -9.823 -6.034 -0.763 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -9.158 -5.293 1.488 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -7.820 -4.381 0.819 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -9.360 -2.679 0.954 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -9.757 -3.263 -0.649 1.00 0.00 H new ATOM 0 HE ARG A 57 -11.270 -4.609 1.464 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -11.078 -1.798 -0.663 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -12.816 -1.484 -0.598 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -13.502 -4.202 1.542 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -14.183 -2.840 0.645 1.00 0.00 H new ATOM 839 N TYR A 58 -9.146 -8.821 -0.850 1.00 0.00 N ATOM 840 CA TYR A 58 -9.650 -9.963 -1.604 1.00 0.00 C ATOM 841 C TYR A 58 -11.056 -10.339 -1.148 1.00 0.00 C ATOM 842 O TYR A 58 -11.494 -9.952 -0.064 1.00 0.00 O ATOM 843 CB TYR A 58 -8.712 -11.160 -1.443 1.00 0.00 C ATOM 844 CG TYR A 58 -8.335 -11.445 -0.006 1.00 0.00 C ATOM 845 CD1 TYR A 58 -7.605 -10.525 0.736 1.00 0.00 C ATOM 846 CD2 TYR A 58 -8.708 -12.634 0.608 1.00 0.00 C ATOM 847 CE1 TYR A 58 -7.257 -10.781 2.048 1.00 0.00 C ATOM 848 CE2 TYR A 58 -8.366 -12.898 1.920 1.00 0.00 C ATOM 849 CZ TYR A 58 -7.641 -11.968 2.636 1.00 0.00 C ATOM 850 OH TYR A 58 -7.297 -12.228 3.943 1.00 0.00 O ATOM 0 H TYR A 58 -9.507 -8.752 0.102 1.00 0.00 H new ATOM 0 HA TYR A 58 -9.692 -9.682 -2.656 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -9.188 -12.044 -1.867 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -7.804 -10.980 -2.019 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -7.304 -9.594 0.279 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -9.275 -13.364 0.050 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -6.687 -10.056 2.610 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -8.664 -13.827 2.383 1.00 0.00 H new ATOM 0 HH TYR A 58 -7.645 -13.106 4.204 1.00 0.00 H new ATOM 860 N ARG A 59 -11.760 -11.096 -1.984 1.00 0.00 N ATOM 861 CA ARG A 59 -13.117 -11.525 -1.668 1.00 0.00 C ATOM 862 C ARG A 59 -13.436 -12.858 -2.339 1.00 0.00 C ATOM 863 O ARG A 59 -12.624 -13.395 -3.093 1.00 0.00 O ATOM 864 CB ARG A 59 -14.126 -10.464 -2.112 1.00 0.00 C ATOM 865 CG ARG A 59 -14.014 -10.094 -3.582 1.00 0.00 C ATOM 866 CD ARG A 59 -14.874 -8.887 -3.920 1.00 0.00 C ATOM 867 NE ARG A 59 -14.241 -7.634 -3.518 1.00 0.00 N ATOM 868 CZ ARG A 59 -14.910 -6.505 -3.313 1.00 0.00 C ATOM 869 NH1 ARG A 59 -16.226 -6.472 -3.471 1.00 0.00 N ATOM 870 NH2 ARG A 59 -14.263 -5.405 -2.947 1.00 0.00 N ATOM 0 H ARG A 59 -11.413 -11.425 -2.885 1.00 0.00 H new ATOM 0 HA ARG A 59 -13.188 -11.655 -0.588 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -15.134 -10.828 -1.914 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -13.986 -9.567 -1.509 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -12.973 -9.880 -3.826 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -14.318 -10.942 -4.196 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -15.066 -8.868 -4.993 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -15.840 -8.980 -3.424 1.00 0.00 H new ATOM 0 HE ARG A 59 -13.229 -7.625 -3.387 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -16.727 -7.315 -3.751 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -16.737 -5.604 -3.313 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -13.251 -5.426 -2.823 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -14.778 -4.539 -2.790 1.00 0.00 H new ATOM 884 N LYS A 60 -14.622 -13.386 -2.059 1.00 0.00 N ATOM 885 CA LYS A 60 -15.050 -14.656 -2.635 1.00 0.00 C ATOM 886 C LYS A 60 -15.955 -14.428 -3.841 1.00 0.00 C ATOM 887 O LYS A 60 -16.954 -13.714 -3.754 1.00 0.00 O ATOM 888 CB LYS A 60 -15.782 -15.494 -1.585 1.00 0.00 C ATOM 889 CG LYS A 60 -14.866 -16.406 -0.787 1.00 0.00 C ATOM 890 CD LYS A 60 -15.604 -17.071 0.362 1.00 0.00 C ATOM 891 CE LYS A 60 -14.668 -17.917 1.211 1.00 0.00 C ATOM 892 NZ LYS A 60 -15.348 -18.451 2.423 1.00 0.00 N ATOM 0 H LYS A 60 -15.305 -12.954 -1.436 1.00 0.00 H new ATOM 0 HA LYS A 60 -14.162 -15.195 -2.966 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -16.304 -14.827 -0.899 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -16.541 -16.099 -2.080 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -14.450 -17.170 -1.444 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -14.027 -15.830 -0.397 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -16.072 -16.309 0.985 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -16.405 -17.697 -0.032 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -14.286 -18.745 0.614 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -13.809 -17.317 1.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -14.676 -19.022 2.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -15.691 -17.660 3.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -16.153 -19.044 2.137 1.00 0.00 H new ATOM 906 N ALA A 61 -15.600 -15.041 -4.966 1.00 0.00 N ATOM 907 CA ALA A 61 -16.383 -14.908 -6.188 1.00 0.00 C ATOM 908 C ALA A 61 -17.874 -14.825 -5.879 1.00 0.00 C ATOM 909 O ALA A 61 -18.555 -13.894 -6.307 1.00 0.00 O ATOM 910 CB ALA A 61 -16.100 -16.073 -7.126 1.00 0.00 C ATOM 0 H ALA A 61 -14.775 -15.634 -5.056 1.00 0.00 H new ATOM 0 HA ALA A 61 -16.089 -13.981 -6.679 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -16.692 -15.961 -8.035 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -15.041 -16.085 -7.382 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -16.365 -17.009 -6.634 1.00 0.00 H new ATOM 916 N SER A 62 -18.374 -15.806 -5.135 1.00 0.00 N ATOM 917 CA SER A 62 -19.786 -15.847 -4.773 1.00 0.00 C ATOM 918 C SER A 62 -20.114 -14.769 -3.744 1.00 0.00 C ATOM 919 O SER A 62 -21.107 -14.054 -3.873 1.00 0.00 O ATOM 920 CB SER A 62 -20.154 -17.225 -4.220 1.00 0.00 C ATOM 921 OG SER A 62 -20.195 -18.194 -5.253 1.00 0.00 O ATOM 0 H SER A 62 -17.823 -16.583 -4.771 1.00 0.00 H new ATOM 0 HA SER A 62 -20.372 -15.657 -5.672 1.00 0.00 H new ATOM 0 HB2 SER A 62 -19.426 -17.524 -3.465 1.00 0.00 H new ATOM 0 HB3 SER A 62 -21.124 -17.175 -3.725 1.00 0.00 H new ATOM 0 HG SER A 62 -20.431 -19.066 -4.874 1.00 0.00 H new ATOM 927 N ARG A 63 -19.271 -14.660 -2.722 1.00 0.00 N ATOM 928 CA ARG A 63 -19.471 -13.672 -1.669 1.00 0.00 C ATOM 929 C ARG A 63 -18.504 -12.503 -1.830 1.00 0.00 C ATOM 930 O ARG A 63 -17.543 -12.368 -1.072 1.00 0.00 O ATOM 931 CB ARG A 63 -19.285 -14.316 -0.294 1.00 0.00 C ATOM 932 CG ARG A 63 -20.100 -13.653 0.804 1.00 0.00 C ATOM 933 CD ARG A 63 -20.093 -14.481 2.080 1.00 0.00 C ATOM 934 NE ARG A 63 -21.189 -15.445 2.113 1.00 0.00 N ATOM 935 CZ ARG A 63 -22.470 -15.099 2.179 1.00 0.00 C ATOM 936 NH1 ARG A 63 -22.814 -13.819 2.217 1.00 0.00 N ATOM 937 NH2 ARG A 63 -23.411 -16.035 2.205 1.00 0.00 N ATOM 0 H ARG A 63 -18.443 -15.244 -2.601 1.00 0.00 H new ATOM 0 HA ARG A 63 -20.490 -13.293 -1.750 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -19.561 -15.369 -0.355 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -18.230 -14.279 -0.024 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -19.696 -12.662 1.010 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -21.126 -13.515 0.464 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -19.143 -15.009 2.164 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -20.167 -13.818 2.942 1.00 0.00 H new ATOM 0 HE ARG A 63 -20.959 -16.438 2.084 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -22.094 -13.097 2.196 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -23.798 -13.557 2.268 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -23.151 -17.021 2.174 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -24.394 -15.768 2.256 1.00 0.00 H new ATOM 951 N LYS A 64 -18.764 -11.659 -2.823 1.00 0.00 N ATOM 952 CA LYS A 64 -17.918 -10.501 -3.085 1.00 0.00 C ATOM 953 C LYS A 64 -18.044 -9.471 -1.967 1.00 0.00 C ATOM 954 O LYS A 64 -17.048 -8.903 -1.518 1.00 0.00 O ATOM 955 CB LYS A 64 -18.293 -9.862 -4.425 1.00 0.00 C ATOM 956 CG LYS A 64 -17.840 -10.667 -5.630 1.00 0.00 C ATOM 957 CD LYS A 64 -17.937 -9.855 -6.911 1.00 0.00 C ATOM 958 CE LYS A 64 -17.598 -10.697 -8.132 1.00 0.00 C ATOM 959 NZ LYS A 64 -18.800 -11.376 -8.689 1.00 0.00 N ATOM 0 H LYS A 64 -19.555 -11.756 -3.460 1.00 0.00 H new ATOM 0 HA LYS A 64 -16.883 -10.841 -3.128 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -19.375 -9.737 -4.468 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -17.854 -8.866 -4.478 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -16.811 -10.996 -5.483 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -18.452 -11.565 -5.720 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -18.945 -9.454 -7.013 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -17.259 -9.003 -6.855 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -17.152 -10.063 -8.898 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -16.851 -11.444 -7.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -18.527 -11.939 -9.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -19.212 -12.001 -7.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -19.502 -10.663 -8.971 1.00 0.00 H new ATOM 973 N SER A 65 -19.273 -9.237 -1.519 1.00 0.00 N ATOM 974 CA SER A 65 -19.529 -8.275 -0.454 1.00 0.00 C ATOM 975 C SER A 65 -18.496 -8.412 0.661 1.00 0.00 C ATOM 976 O SER A 65 -17.967 -7.417 1.158 1.00 0.00 O ATOM 977 CB SER A 65 -20.937 -8.470 0.112 1.00 0.00 C ATOM 978 OG SER A 65 -21.892 -7.732 -0.631 1.00 0.00 O ATOM 0 H SER A 65 -20.108 -9.701 -1.877 1.00 0.00 H new ATOM 0 HA SER A 65 -19.452 -7.273 -0.877 1.00 0.00 H new ATOM 0 HB2 SER A 65 -21.196 -9.529 0.094 1.00 0.00 H new ATOM 0 HB3 SER A 65 -20.960 -8.154 1.155 1.00 0.00 H new ATOM 0 HG SER A 65 -22.784 -7.875 -0.251 1.00 0.00 H new ATOM 984 N ASP A 66 -18.215 -9.651 1.049 1.00 0.00 N ATOM 985 CA ASP A 66 -17.246 -9.920 2.105 1.00 0.00 C ATOM 986 C ASP A 66 -15.822 -9.696 1.605 1.00 0.00 C ATOM 987 O ASP A 66 -15.308 -10.469 0.796 1.00 0.00 O ATOM 988 CB ASP A 66 -17.401 -11.353 2.616 1.00 0.00 C ATOM 989 CG ASP A 66 -16.792 -11.547 3.991 1.00 0.00 C ATOM 990 OD1 ASP A 66 -17.182 -10.811 4.922 1.00 0.00 O ATOM 991 OD2 ASP A 66 -15.927 -12.435 4.136 1.00 0.00 O ATOM 0 H ASP A 66 -18.644 -10.485 0.648 1.00 0.00 H new ATOM 0 HA ASP A 66 -17.437 -9.228 2.925 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -18.460 -11.610 2.651 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -16.929 -12.039 1.913 1.00 0.00 H new ATOM 996 N VAL A 67 -15.190 -8.633 2.092 1.00 0.00 N ATOM 997 CA VAL A 67 -13.825 -8.307 1.695 1.00 0.00 C ATOM 998 C VAL A 67 -12.918 -8.166 2.911 1.00 0.00 C ATOM 999 O VAL A 67 -13.335 -7.667 3.957 1.00 0.00 O ATOM 1000 CB VAL A 67 -13.775 -7.003 0.876 1.00 0.00 C ATOM 1001 CG1 VAL A 67 -12.554 -6.989 -0.031 1.00 0.00 C ATOM 1002 CG2 VAL A 67 -15.052 -6.833 0.068 1.00 0.00 C ATOM 0 H VAL A 67 -15.601 -7.983 2.762 1.00 0.00 H new ATOM 0 HA VAL A 67 -13.470 -9.130 1.075 1.00 0.00 H new ATOM 0 HB VAL A 67 -13.695 -6.163 1.566 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -12.535 -6.061 -0.602 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -11.650 -7.061 0.574 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -12.600 -7.835 -0.716 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -15.000 -5.907 -0.504 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -15.166 -7.675 -0.614 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -15.907 -6.795 0.743 1.00 0.00 H new ATOM 1012 N THR A 68 -11.672 -8.608 2.769 1.00 0.00 N ATOM 1013 CA THR A 68 -10.705 -8.532 3.856 1.00 0.00 C ATOM 1014 C THR A 68 -9.645 -7.472 3.576 1.00 0.00 C ATOM 1015 O THR A 68 -9.121 -7.384 2.466 1.00 0.00 O ATOM 1016 CB THR A 68 -10.010 -9.887 4.086 1.00 0.00 C ATOM 1017 OG1 THR A 68 -10.986 -10.933 4.148 1.00 0.00 O ATOM 1018 CG2 THR A 68 -9.198 -9.868 5.372 1.00 0.00 C ATOM 0 H THR A 68 -11.309 -9.023 1.911 1.00 0.00 H new ATOM 0 HA THR A 68 -11.260 -8.260 4.754 1.00 0.00 H new ATOM 0 HB THR A 68 -9.334 -10.070 3.251 1.00 0.00 H new ATOM 0 HG1 THR A 68 -10.536 -11.792 4.293 1.00 0.00 H new ATOM 0 HG21 THR A 68 -8.717 -10.836 5.513 1.00 0.00 H new ATOM 0 HG22 THR A 68 -8.437 -9.090 5.310 1.00 0.00 H new ATOM 0 HG23 THR A 68 -9.857 -9.665 6.216 1.00 0.00 H new ATOM 1026 N GLU A 69 -9.334 -6.670 4.589 1.00 0.00 N ATOM 1027 CA GLU A 69 -8.337 -5.616 4.450 1.00 0.00 C ATOM 1028 C GLU A 69 -6.987 -6.068 5.000 1.00 0.00 C ATOM 1029 O GLU A 69 -6.873 -6.448 6.166 1.00 0.00 O ATOM 1030 CB GLU A 69 -8.796 -4.349 5.175 1.00 0.00 C ATOM 1031 CG GLU A 69 -7.938 -3.131 4.876 1.00 0.00 C ATOM 1032 CD GLU A 69 -8.688 -1.828 5.071 1.00 0.00 C ATOM 1033 OE1 GLU A 69 -9.866 -1.755 4.663 1.00 0.00 O ATOM 1034 OE2 GLU A 69 -8.097 -0.881 5.630 1.00 0.00 O ATOM 0 H GLU A 69 -9.758 -6.730 5.515 1.00 0.00 H new ATOM 0 HA GLU A 69 -8.223 -5.397 3.388 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -9.827 -4.134 4.895 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -8.789 -4.533 6.249 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -7.061 -3.141 5.523 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -7.577 -3.188 3.849 1.00 0.00 H new ATOM 1041 N THR A 70 -5.965 -6.026 4.151 1.00 0.00 N ATOM 1042 CA THR A 70 -4.623 -6.433 4.549 1.00 0.00 C ATOM 1043 C THR A 70 -3.601 -5.348 4.228 1.00 0.00 C ATOM 1044 O THR A 70 -3.178 -5.200 3.081 1.00 0.00 O ATOM 1045 CB THR A 70 -4.202 -7.741 3.853 1.00 0.00 C ATOM 1046 OG1 THR A 70 -5.080 -8.805 4.236 1.00 0.00 O ATOM 1047 CG2 THR A 70 -2.769 -8.106 4.208 1.00 0.00 C ATOM 0 H THR A 70 -6.041 -5.714 3.183 1.00 0.00 H new ATOM 0 HA THR A 70 -4.650 -6.596 5.626 1.00 0.00 H new ATOM 0 HB THR A 70 -4.265 -7.589 2.775 1.00 0.00 H new ATOM 0 HG1 THR A 70 -4.806 -9.632 3.788 1.00 0.00 H new ATOM 0 HG21 THR A 70 -2.494 -9.033 3.705 1.00 0.00 H new ATOM 0 HG22 THR A 70 -2.100 -7.307 3.888 1.00 0.00 H new ATOM 0 HG23 THR A 70 -2.684 -8.240 5.286 1.00 0.00 H new ATOM 1055 N LEU A 71 -3.209 -4.592 5.248 1.00 0.00 N ATOM 1056 CA LEU A 71 -2.235 -3.520 5.074 1.00 0.00 C ATOM 1057 C LEU A 71 -0.812 -4.044 5.243 1.00 0.00 C ATOM 1058 O LEU A 71 -0.485 -4.671 6.250 1.00 0.00 O ATOM 1059 CB LEU A 71 -2.499 -2.397 6.078 1.00 0.00 C ATOM 1060 CG LEU A 71 -2.096 -0.990 5.634 1.00 0.00 C ATOM 1061 CD1 LEU A 71 -0.677 -0.990 5.085 1.00 0.00 C ATOM 1062 CD2 LEU A 71 -3.071 -0.459 4.594 1.00 0.00 C ATOM 0 H LEU A 71 -3.550 -4.701 6.203 1.00 0.00 H new ATOM 0 HA LEU A 71 -2.340 -3.128 4.063 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -3.563 -2.391 6.314 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -1.969 -2.631 7.001 1.00 0.00 H new ATOM 0 HG LEU A 71 -2.128 -0.332 6.503 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -0.407 0.019 4.774 1.00 0.00 H new ATOM 0 HD12 LEU A 71 0.012 -1.328 5.859 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -0.618 -1.662 4.228 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.769 0.543 4.290 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -3.071 -1.117 3.725 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -4.073 -0.422 5.021 1.00 0.00 H new ATOM 1074 N VAL A 72 0.032 -3.781 4.249 1.00 0.00 N ATOM 1075 CA VAL A 72 1.420 -4.223 4.289 1.00 0.00 C ATOM 1076 C VAL A 72 2.375 -3.034 4.322 1.00 0.00 C ATOM 1077 O VAL A 72 1.945 -1.882 4.384 1.00 0.00 O ATOM 1078 CB VAL A 72 1.762 -5.108 3.076 1.00 0.00 C ATOM 1079 CG1 VAL A 72 0.966 -6.404 3.119 1.00 0.00 C ATOM 1080 CG2 VAL A 72 1.504 -4.357 1.779 1.00 0.00 C ATOM 0 H VAL A 72 -0.222 -3.264 3.407 1.00 0.00 H new ATOM 0 HA VAL A 72 1.540 -4.807 5.201 1.00 0.00 H new ATOM 0 HB VAL A 72 2.822 -5.359 3.119 1.00 0.00 H new ATOM 0 HG11 VAL A 72 1.221 -7.016 2.254 1.00 0.00 H new ATOM 0 HG12 VAL A 72 1.206 -6.948 4.032 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -0.100 -6.177 3.101 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.751 -4.997 0.932 1.00 0.00 H new ATOM 0 HG22 VAL A 72 0.453 -4.074 1.725 1.00 0.00 H new ATOM 0 HG23 VAL A 72 2.123 -3.460 1.748 1.00 0.00 H new ATOM 1090 N SER A 73 3.671 -3.322 4.279 1.00 0.00 N ATOM 1091 CA SER A 73 4.688 -2.277 4.307 1.00 0.00 C ATOM 1092 C SER A 73 4.980 -1.765 2.900 1.00 0.00 C ATOM 1093 O SER A 73 4.647 -2.415 1.910 1.00 0.00 O ATOM 1094 CB SER A 73 5.973 -2.803 4.948 1.00 0.00 C ATOM 1095 OG SER A 73 6.855 -1.742 5.269 1.00 0.00 O ATOM 0 H SER A 73 4.042 -4.270 4.225 1.00 0.00 H new ATOM 0 HA SER A 73 4.306 -1.449 4.904 1.00 0.00 H new ATOM 0 HB2 SER A 73 5.730 -3.363 5.851 1.00 0.00 H new ATOM 0 HB3 SER A 73 6.466 -3.496 4.266 1.00 0.00 H new ATOM 0 HG SER A 73 7.668 -2.105 5.679 1.00 0.00 H new ATOM 1101 N GLY A 74 5.606 -0.595 2.820 1.00 0.00 N ATOM 1102 CA GLY A 74 5.933 -0.015 1.531 1.00 0.00 C ATOM 1103 C GLY A 74 6.973 -0.822 0.779 1.00 0.00 C ATOM 1104 O GLY A 74 6.745 -1.237 -0.358 1.00 0.00 O ATOM 0 H GLY A 74 5.893 -0.038 3.625 1.00 0.00 H new ATOM 0 HA2 GLY A 74 5.028 0.057 0.928 1.00 0.00 H new ATOM 0 HA3 GLY A 74 6.301 1.001 1.676 1.00 0.00 H new ATOM 1108 N THR A 75 8.119 -1.045 1.414 1.00 0.00 N ATOM 1109 CA THR A 75 9.199 -1.805 0.797 1.00 0.00 C ATOM 1110 C THR A 75 8.780 -3.248 0.543 1.00 0.00 C ATOM 1111 O THR A 75 9.466 -3.987 -0.163 1.00 0.00 O ATOM 1112 CB THR A 75 10.465 -1.797 1.675 1.00 0.00 C ATOM 1113 OG1 THR A 75 11.529 -2.483 1.007 1.00 0.00 O ATOM 1114 CG2 THR A 75 10.195 -2.455 3.019 1.00 0.00 C ATOM 0 H THR A 75 8.323 -0.710 2.356 1.00 0.00 H new ATOM 0 HA THR A 75 9.422 -1.321 -0.154 1.00 0.00 H new ATOM 0 HB THR A 75 10.754 -0.760 1.848 1.00 0.00 H new ATOM 0 HG1 THR A 75 11.154 -3.114 0.357 1.00 0.00 H new ATOM 0 HG21 THR A 75 11.103 -2.438 3.622 1.00 0.00 H new ATOM 0 HG22 THR A 75 9.405 -1.912 3.538 1.00 0.00 H new ATOM 0 HG23 THR A 75 9.883 -3.488 2.862 1.00 0.00 H new ATOM 1122 N GLN A 76 7.650 -3.642 1.121 1.00 0.00 N ATOM 1123 CA GLN A 76 7.141 -4.998 0.956 1.00 0.00 C ATOM 1124 C GLN A 76 6.363 -5.133 -0.349 1.00 0.00 C ATOM 1125 O GLN A 76 5.319 -4.505 -0.529 1.00 0.00 O ATOM 1126 CB GLN A 76 6.246 -5.377 2.138 1.00 0.00 C ATOM 1127 CG GLN A 76 5.597 -6.744 1.996 1.00 0.00 C ATOM 1128 CD GLN A 76 5.249 -7.367 3.334 1.00 0.00 C ATOM 1129 OE1 GLN A 76 6.017 -7.274 4.293 1.00 0.00 O ATOM 1130 NE2 GLN A 76 4.088 -8.006 3.406 1.00 0.00 N ATOM 0 H GLN A 76 7.070 -3.042 1.707 1.00 0.00 H new ATOM 0 HA GLN A 76 7.993 -5.677 0.922 1.00 0.00 H new ATOM 0 HB2 GLN A 76 6.839 -5.359 3.052 1.00 0.00 H new ATOM 0 HB3 GLN A 76 5.466 -4.624 2.249 1.00 0.00 H new ATOM 0 HG2 GLN A 76 4.692 -6.652 1.396 1.00 0.00 H new ATOM 0 HG3 GLN A 76 6.271 -7.408 1.455 1.00 0.00 H new ATOM 0 HE21 GLN A 76 3.483 -8.058 2.586 1.00 0.00 H new ATOM 0 HE22 GLN A 76 3.801 -8.445 4.281 1.00 0.00 H new ATOM 1139 N LEU A 77 6.879 -5.953 -1.257 1.00 0.00 N ATOM 1140 CA LEU A 77 6.234 -6.170 -2.547 1.00 0.00 C ATOM 1141 C LEU A 77 5.664 -7.582 -2.641 1.00 0.00 C ATOM 1142 O LEU A 77 5.363 -8.070 -3.730 1.00 0.00 O ATOM 1143 CB LEU A 77 7.230 -5.933 -3.684 1.00 0.00 C ATOM 1144 CG LEU A 77 7.817 -4.525 -3.779 1.00 0.00 C ATOM 1145 CD1 LEU A 77 8.859 -4.454 -4.885 1.00 0.00 C ATOM 1146 CD2 LEU A 77 6.715 -3.502 -4.017 1.00 0.00 C ATOM 0 H LEU A 77 7.743 -6.479 -1.124 1.00 0.00 H new ATOM 0 HA LEU A 77 5.412 -5.460 -2.638 1.00 0.00 H new ATOM 0 HB2 LEU A 77 8.052 -6.641 -3.574 1.00 0.00 H new ATOM 0 HB3 LEU A 77 6.735 -6.163 -4.628 1.00 0.00 H new ATOM 0 HG LEU A 77 8.304 -4.292 -2.832 1.00 0.00 H new ATOM 0 HD11 LEU A 77 9.266 -3.444 -4.937 1.00 0.00 H new ATOM 0 HD12 LEU A 77 9.663 -5.158 -4.673 1.00 0.00 H new ATOM 0 HD13 LEU A 77 8.396 -4.709 -5.838 1.00 0.00 H new ATOM 0 HD21 LEU A 77 7.152 -2.505 -4.082 1.00 0.00 H new ATOM 0 HD22 LEU A 77 6.199 -3.733 -4.949 1.00 0.00 H new ATOM 0 HD23 LEU A 77 6.004 -3.534 -3.191 1.00 0.00 H new ATOM 1158 N SER A 78 5.517 -8.233 -1.491 1.00 0.00 N ATOM 1159 CA SER A 78 4.985 -9.589 -1.443 1.00 0.00 C ATOM 1160 C SER A 78 4.182 -9.813 -0.165 1.00 0.00 C ATOM 1161 O SER A 78 4.493 -9.246 0.882 1.00 0.00 O ATOM 1162 CB SER A 78 6.122 -10.609 -1.530 1.00 0.00 C ATOM 1163 OG SER A 78 7.078 -10.396 -0.506 1.00 0.00 O ATOM 0 H SER A 78 5.759 -7.843 -0.580 1.00 0.00 H new ATOM 0 HA SER A 78 4.321 -9.722 -2.297 1.00 0.00 H new ATOM 0 HB2 SER A 78 5.717 -11.618 -1.449 1.00 0.00 H new ATOM 0 HB3 SER A 78 6.606 -10.537 -2.504 1.00 0.00 H new ATOM 0 HG SER A 78 7.793 -11.062 -0.583 1.00 0.00 H new ATOM 1169 N GLN A 79 3.149 -10.644 -0.261 1.00 0.00 N ATOM 1170 CA GLN A 79 2.301 -10.942 0.887 1.00 0.00 C ATOM 1171 C GLN A 79 1.656 -12.317 0.744 1.00 0.00 C ATOM 1172 O GLN A 79 1.267 -12.721 -0.352 1.00 0.00 O ATOM 1173 CB GLN A 79 1.219 -9.872 1.040 1.00 0.00 C ATOM 1174 CG GLN A 79 0.232 -10.160 2.160 1.00 0.00 C ATOM 1175 CD GLN A 79 0.909 -10.317 3.508 1.00 0.00 C ATOM 1176 OE1 GLN A 79 1.839 -9.580 3.838 1.00 0.00 O ATOM 1177 NE2 GLN A 79 0.444 -11.279 4.296 1.00 0.00 N ATOM 0 H GLN A 79 2.879 -11.122 -1.121 1.00 0.00 H new ATOM 0 HA GLN A 79 2.928 -10.945 1.779 1.00 0.00 H new ATOM 0 HB2 GLN A 79 1.695 -8.909 1.226 1.00 0.00 H new ATOM 0 HB3 GLN A 79 0.674 -9.782 0.101 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -0.496 -9.350 2.215 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -0.321 -11.070 1.927 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -0.329 -11.866 3.982 1.00 0.00 H new ATOM 0 HE22 GLN A 79 0.859 -11.431 5.215 1.00 0.00 H new ATOM 1186 N LEU A 80 1.546 -13.032 1.858 1.00 0.00 N ATOM 1187 CA LEU A 80 0.948 -14.362 1.858 1.00 0.00 C ATOM 1188 C LEU A 80 -0.434 -14.339 2.502 1.00 0.00 C ATOM 1189 O LEU A 80 -0.592 -13.895 3.640 1.00 0.00 O ATOM 1190 CB LEU A 80 1.852 -15.349 2.599 1.00 0.00 C ATOM 1191 CG LEU A 80 1.577 -16.832 2.345 1.00 0.00 C ATOM 1192 CD1 LEU A 80 1.900 -17.196 0.904 1.00 0.00 C ATOM 1193 CD2 LEU A 80 2.379 -17.696 3.308 1.00 0.00 C ATOM 0 H LEU A 80 1.863 -12.713 2.773 1.00 0.00 H new ATOM 0 HA LEU A 80 0.840 -14.684 0.822 1.00 0.00 H new ATOM 0 HB2 LEU A 80 2.886 -15.140 2.325 1.00 0.00 H new ATOM 0 HB3 LEU A 80 1.761 -15.161 3.669 1.00 0.00 H new ATOM 0 HG LEU A 80 0.517 -17.020 2.517 1.00 0.00 H new ATOM 0 HD11 LEU A 80 1.698 -18.255 0.742 1.00 0.00 H new ATOM 0 HD12 LEU A 80 1.282 -16.602 0.231 1.00 0.00 H new ATOM 0 HD13 LEU A 80 2.952 -16.993 0.704 1.00 0.00 H new ATOM 0 HD21 LEU A 80 2.171 -18.748 3.113 1.00 0.00 H new ATOM 0 HD22 LEU A 80 3.443 -17.505 3.169 1.00 0.00 H new ATOM 0 HD23 LEU A 80 2.098 -17.455 4.333 1.00 0.00 H new ATOM 1205 N ILE A 81 -1.432 -14.821 1.769 1.00 0.00 N ATOM 1206 CA ILE A 81 -2.800 -14.857 2.271 1.00 0.00 C ATOM 1207 C ILE A 81 -3.227 -16.284 2.597 1.00 0.00 C ATOM 1208 O ILE A 81 -3.703 -17.014 1.728 1.00 0.00 O ATOM 1209 CB ILE A 81 -3.789 -14.257 1.254 1.00 0.00 C ATOM 1210 CG1 ILE A 81 -3.290 -12.895 0.768 1.00 0.00 C ATOM 1211 CG2 ILE A 81 -5.173 -14.131 1.872 1.00 0.00 C ATOM 1212 CD1 ILE A 81 -3.022 -11.915 1.889 1.00 0.00 C ATOM 0 H ILE A 81 -1.319 -15.192 0.826 1.00 0.00 H new ATOM 0 HA ILE A 81 -2.819 -14.257 3.181 1.00 0.00 H new ATOM 0 HB ILE A 81 -3.856 -14.926 0.396 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -2.375 -13.036 0.193 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -4.029 -12.467 0.091 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -5.861 -13.705 1.141 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -5.528 -15.117 2.173 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -5.124 -13.481 2.745 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -2.671 -10.971 1.471 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -3.941 -11.744 2.450 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -2.261 -12.322 2.554 1.00 0.00 H new ATOM 1224 N GLU A 82 -3.055 -16.674 3.856 1.00 0.00 N ATOM 1225 CA GLU A 82 -3.425 -18.014 4.297 1.00 0.00 C ATOM 1226 C GLU A 82 -4.861 -18.041 4.813 1.00 0.00 C ATOM 1227 O GLU A 82 -5.431 -17.003 5.147 1.00 0.00 O ATOM 1228 CB GLU A 82 -2.470 -18.496 5.391 1.00 0.00 C ATOM 1229 CG GLU A 82 -1.044 -18.700 4.908 1.00 0.00 C ATOM 1230 CD GLU A 82 -0.050 -18.804 6.049 1.00 0.00 C ATOM 1231 OE1 GLU A 82 0.142 -17.798 6.762 1.00 0.00 O ATOM 1232 OE2 GLU A 82 0.534 -19.893 6.228 1.00 0.00 O ATOM 0 H GLU A 82 -2.662 -16.082 4.588 1.00 0.00 H new ATOM 0 HA GLU A 82 -3.353 -18.683 3.440 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -2.469 -17.771 6.205 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -2.844 -19.435 5.800 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -0.995 -19.607 4.305 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -0.762 -17.870 4.260 1.00 0.00 H new ATOM 1239 N GLY A 83 -5.440 -19.236 4.873 1.00 0.00 N ATOM 1240 CA GLY A 83 -6.804 -19.376 5.347 1.00 0.00 C ATOM 1241 C GLY A 83 -7.820 -19.292 4.225 1.00 0.00 C ATOM 1242 O GLY A 83 -8.877 -18.678 4.379 1.00 0.00 O ATOM 0 H GLY A 83 -4.989 -20.110 4.602 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -6.911 -20.332 5.859 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -7.012 -18.597 6.080 1.00 0.00 H new ATOM 1246 N LEU A 84 -7.500 -19.909 3.093 1.00 0.00 N ATOM 1247 CA LEU A 84 -8.392 -19.900 1.939 1.00 0.00 C ATOM 1248 C LEU A 84 -9.057 -21.261 1.753 1.00 0.00 C ATOM 1249 O LEU A 84 -8.876 -22.167 2.567 1.00 0.00 O ATOM 1250 CB LEU A 84 -7.619 -19.521 0.675 1.00 0.00 C ATOM 1251 CG LEU A 84 -6.927 -18.157 0.694 1.00 0.00 C ATOM 1252 CD1 LEU A 84 -5.802 -18.115 -0.328 1.00 0.00 C ATOM 1253 CD2 LEU A 84 -7.932 -17.046 0.431 1.00 0.00 C ATOM 0 H LEU A 84 -6.630 -20.422 2.950 1.00 0.00 H new ATOM 0 HA LEU A 84 -9.170 -19.158 2.118 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -6.865 -20.286 0.492 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -8.308 -19.544 -0.169 1.00 0.00 H new ATOM 0 HG LEU A 84 -6.496 -18.003 1.683 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -5.321 -17.137 -0.300 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -5.069 -18.887 -0.094 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -6.208 -18.291 -1.324 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -7.422 -16.083 0.448 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -8.392 -17.196 -0.546 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -8.703 -17.062 1.202 1.00 0.00 H new ATOM 1265 N ASP A 85 -9.823 -21.397 0.677 1.00 0.00 N ATOM 1266 CA ASP A 85 -10.512 -22.648 0.383 1.00 0.00 C ATOM 1267 C ASP A 85 -10.037 -23.230 -0.945 1.00 0.00 C ATOM 1268 O ASP A 85 -9.822 -22.500 -1.912 1.00 0.00 O ATOM 1269 CB ASP A 85 -12.025 -22.426 0.344 1.00 0.00 C ATOM 1270 CG ASP A 85 -12.580 -21.986 1.685 1.00 0.00 C ATOM 1271 OD1 ASP A 85 -12.626 -22.823 2.611 1.00 0.00 O ATOM 1272 OD2 ASP A 85 -12.967 -20.806 1.808 1.00 0.00 O ATOM 0 H ASP A 85 -9.983 -20.657 -0.006 1.00 0.00 H new ATOM 0 HA ASP A 85 -10.278 -23.358 1.176 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -12.260 -21.673 -0.408 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -12.517 -23.348 0.035 1.00 0.00 H new ATOM 1277 N ARG A 86 -9.876 -24.549 -0.983 1.00 0.00 N ATOM 1278 CA ARG A 86 -9.424 -25.229 -2.191 1.00 0.00 C ATOM 1279 C ARG A 86 -10.510 -25.213 -3.262 1.00 0.00 C ATOM 1280 O ARG A 86 -11.687 -25.007 -2.965 1.00 0.00 O ATOM 1281 CB ARG A 86 -9.029 -26.672 -1.872 1.00 0.00 C ATOM 1282 CG ARG A 86 -10.075 -27.427 -1.069 1.00 0.00 C ATOM 1283 CD ARG A 86 -9.721 -28.900 -0.938 1.00 0.00 C ATOM 1284 NE ARG A 86 -10.320 -29.504 0.249 1.00 0.00 N ATOM 1285 CZ ARG A 86 -10.090 -30.754 0.634 1.00 0.00 C ATOM 1286 NH1 ARG A 86 -9.277 -31.529 -0.071 1.00 0.00 N ATOM 1287 NH2 ARG A 86 -10.672 -31.231 1.726 1.00 0.00 N ATOM 0 H ARG A 86 -10.052 -25.168 -0.191 1.00 0.00 H new ATOM 0 HA ARG A 86 -8.553 -24.697 -2.573 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -8.846 -27.204 -2.805 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -8.090 -26.669 -1.318 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -10.164 -26.984 -0.077 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -11.047 -27.327 -1.551 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -10.059 -29.434 -1.826 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -8.637 -29.010 -0.893 1.00 0.00 H new ATOM 0 HE ARG A 86 -10.950 -28.934 0.814 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -8.827 -31.165 -0.911 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -9.102 -32.489 0.227 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -11.297 -30.638 2.271 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -10.494 -32.191 2.021 1.00 0.00 H new ATOM 1301 N GLY A 87 -10.107 -25.430 -4.511 1.00 0.00 N ATOM 1302 CA GLY A 87 -11.058 -25.436 -5.607 1.00 0.00 C ATOM 1303 C GLY A 87 -12.081 -24.324 -5.492 1.00 0.00 C ATOM 1304 O GLY A 87 -13.279 -24.551 -5.666 1.00 0.00 O ATOM 0 H GLY A 87 -9.139 -25.602 -4.783 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -10.521 -25.336 -6.550 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -11.572 -26.397 -5.633 1.00 0.00 H new ATOM 1308 N THR A 88 -11.611 -23.116 -5.198 1.00 0.00 N ATOM 1309 CA THR A 88 -12.493 -21.965 -5.057 1.00 0.00 C ATOM 1310 C THR A 88 -11.843 -20.702 -5.610 1.00 0.00 C ATOM 1311 O THR A 88 -10.749 -20.324 -5.194 1.00 0.00 O ATOM 1312 CB THR A 88 -12.877 -21.728 -3.584 1.00 0.00 C ATOM 1313 OG1 THR A 88 -13.443 -22.919 -3.027 1.00 0.00 O ATOM 1314 CG2 THR A 88 -13.871 -20.583 -3.461 1.00 0.00 C ATOM 0 H THR A 88 -10.623 -22.910 -5.053 1.00 0.00 H new ATOM 0 HA THR A 88 -13.394 -22.187 -5.629 1.00 0.00 H new ATOM 0 HB THR A 88 -11.973 -21.464 -3.034 1.00 0.00 H new ATOM 0 HG1 THR A 88 -12.740 -23.593 -2.913 1.00 0.00 H new ATOM 0 HG21 THR A 88 -14.127 -20.435 -2.412 1.00 0.00 H new ATOM 0 HG22 THR A 88 -13.426 -19.671 -3.859 1.00 0.00 H new ATOM 0 HG23 THR A 88 -14.773 -20.822 -4.024 1.00 0.00 H new ATOM 1322 N GLU A 89 -12.524 -20.055 -6.550 1.00 0.00 N ATOM 1323 CA GLU A 89 -12.011 -18.834 -7.161 1.00 0.00 C ATOM 1324 C GLU A 89 -11.934 -17.705 -6.137 1.00 0.00 C ATOM 1325 O GLU A 89 -12.883 -17.464 -5.390 1.00 0.00 O ATOM 1326 CB GLU A 89 -12.896 -18.413 -8.335 1.00 0.00 C ATOM 1327 CG GLU A 89 -12.488 -17.090 -8.961 1.00 0.00 C ATOM 1328 CD GLU A 89 -13.300 -16.754 -10.197 1.00 0.00 C ATOM 1329 OE1 GLU A 89 -13.269 -17.549 -11.160 1.00 0.00 O ATOM 1330 OE2 GLU A 89 -13.966 -15.698 -10.202 1.00 0.00 O ATOM 0 H GLU A 89 -13.432 -20.355 -6.905 1.00 0.00 H new ATOM 0 HA GLU A 89 -11.005 -19.037 -7.529 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -12.867 -19.191 -9.098 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -13.928 -18.340 -7.993 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -12.605 -16.293 -8.226 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -11.431 -17.128 -9.224 1.00 0.00 H new ATOM 1337 N TYR A 90 -10.798 -17.016 -6.109 1.00 0.00 N ATOM 1338 CA TYR A 90 -10.596 -15.914 -5.175 1.00 0.00 C ATOM 1339 C TYR A 90 -10.129 -14.659 -5.907 1.00 0.00 C ATOM 1340 O TYR A 90 -9.360 -14.735 -6.864 1.00 0.00 O ATOM 1341 CB TYR A 90 -9.573 -16.305 -4.107 1.00 0.00 C ATOM 1342 CG TYR A 90 -10.156 -17.136 -2.986 1.00 0.00 C ATOM 1343 CD1 TYR A 90 -10.835 -16.539 -1.932 1.00 0.00 C ATOM 1344 CD2 TYR A 90 -10.029 -18.520 -2.983 1.00 0.00 C ATOM 1345 CE1 TYR A 90 -11.368 -17.294 -0.905 1.00 0.00 C ATOM 1346 CE2 TYR A 90 -10.560 -19.284 -1.962 1.00 0.00 C ATOM 1347 CZ TYR A 90 -11.228 -18.666 -0.925 1.00 0.00 C ATOM 1348 OH TYR A 90 -11.759 -19.423 0.094 1.00 0.00 O ATOM 0 H TYR A 90 -10.004 -17.201 -6.722 1.00 0.00 H new ATOM 0 HA TYR A 90 -11.550 -15.699 -4.694 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -8.763 -16.862 -4.578 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -9.135 -15.400 -3.687 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -10.948 -15.465 -1.915 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -9.506 -19.007 -3.793 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -11.891 -16.813 -0.092 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -10.453 -20.359 -1.975 1.00 0.00 H new ATOM 0 HH TYR A 90 -12.126 -18.832 0.784 1.00 0.00 H new ATOM 1358 N ASN A 91 -10.601 -13.505 -5.447 1.00 0.00 N ATOM 1359 CA ASN A 91 -10.233 -12.232 -6.057 1.00 0.00 C ATOM 1360 C ASN A 91 -9.196 -11.502 -5.209 1.00 0.00 C ATOM 1361 O ASN A 91 -9.325 -11.418 -3.987 1.00 0.00 O ATOM 1362 CB ASN A 91 -11.472 -11.352 -6.237 1.00 0.00 C ATOM 1363 CG ASN A 91 -12.686 -12.146 -6.679 1.00 0.00 C ATOM 1364 OD1 ASN A 91 -13.762 -12.033 -6.093 1.00 0.00 O ATOM 1365 ND2 ASN A 91 -12.517 -12.956 -7.718 1.00 0.00 N ATOM 0 H ASN A 91 -11.238 -13.425 -4.655 1.00 0.00 H new ATOM 0 HA ASN A 91 -9.797 -12.438 -7.034 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -11.695 -10.846 -5.297 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -11.260 -10.577 -6.974 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -13.298 -13.516 -8.060 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -11.607 -13.018 -8.174 1.00 0.00 H new ATOM 1372 N PHE A 92 -8.167 -10.976 -5.865 1.00 0.00 N ATOM 1373 CA PHE A 92 -7.107 -10.253 -5.172 1.00 0.00 C ATOM 1374 C PHE A 92 -6.794 -8.937 -5.878 1.00 0.00 C ATOM 1375 O PHE A 92 -6.954 -8.819 -7.093 1.00 0.00 O ATOM 1376 CB PHE A 92 -5.844 -11.114 -5.089 1.00 0.00 C ATOM 1377 CG PHE A 92 -6.035 -12.386 -4.313 1.00 0.00 C ATOM 1378 CD1 PHE A 92 -6.552 -13.516 -4.927 1.00 0.00 C ATOM 1379 CD2 PHE A 92 -5.699 -12.452 -2.971 1.00 0.00 C ATOM 1380 CE1 PHE A 92 -6.729 -14.688 -4.216 1.00 0.00 C ATOM 1381 CE2 PHE A 92 -5.873 -13.621 -2.256 1.00 0.00 C ATOM 1382 CZ PHE A 92 -6.390 -14.740 -2.879 1.00 0.00 C ATOM 0 H PHE A 92 -8.045 -11.037 -6.876 1.00 0.00 H new ATOM 0 HA PHE A 92 -7.453 -10.029 -4.163 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -5.515 -11.360 -6.099 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -5.047 -10.532 -4.626 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -6.820 -13.480 -5.973 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -5.296 -11.580 -2.478 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -7.132 -15.562 -4.706 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -5.605 -13.660 -1.211 1.00 0.00 H new ATOM 0 HZ PHE A 92 -6.529 -15.654 -2.321 1.00 0.00 H new ATOM 1392 N ARG A 93 -6.348 -7.951 -5.107 1.00 0.00 N ATOM 1393 CA ARG A 93 -6.014 -6.643 -5.657 1.00 0.00 C ATOM 1394 C ARG A 93 -5.033 -5.906 -4.751 1.00 0.00 C ATOM 1395 O ARG A 93 -5.167 -5.925 -3.527 1.00 0.00 O ATOM 1396 CB ARG A 93 -7.281 -5.805 -5.842 1.00 0.00 C ATOM 1397 CG ARG A 93 -7.928 -5.381 -4.533 1.00 0.00 C ATOM 1398 CD ARG A 93 -8.925 -4.253 -4.745 1.00 0.00 C ATOM 1399 NE ARG A 93 -9.616 -4.366 -6.026 1.00 0.00 N ATOM 1400 CZ ARG A 93 -10.298 -3.372 -6.584 1.00 0.00 C ATOM 1401 NH1 ARG A 93 -10.378 -2.196 -5.976 1.00 0.00 N ATOM 1402 NH2 ARG A 93 -10.900 -3.552 -7.752 1.00 0.00 N ATOM 0 H ARG A 93 -6.210 -8.033 -4.100 1.00 0.00 H new ATOM 0 HA ARG A 93 -5.542 -6.795 -6.627 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -7.036 -4.915 -6.421 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -8.003 -6.377 -6.426 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -8.433 -6.235 -4.082 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -7.157 -5.060 -3.832 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -9.657 -4.259 -3.937 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -8.405 -3.296 -4.697 1.00 0.00 H new ATOM 0 HE ARG A 93 -9.573 -5.257 -6.520 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -9.915 -2.054 -5.078 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -10.902 -1.434 -6.406 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -10.840 -4.455 -8.223 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -11.423 -2.788 -8.179 1.00 0.00 H new ATOM 1416 N VAL A 94 -4.045 -5.257 -5.360 1.00 0.00 N ATOM 1417 CA VAL A 94 -3.041 -4.513 -4.608 1.00 0.00 C ATOM 1418 C VAL A 94 -3.133 -3.019 -4.898 1.00 0.00 C ATOM 1419 O VAL A 94 -3.333 -2.610 -6.041 1.00 0.00 O ATOM 1420 CB VAL A 94 -1.618 -5.003 -4.937 1.00 0.00 C ATOM 1421 CG1 VAL A 94 -0.580 -4.112 -4.271 1.00 0.00 C ATOM 1422 CG2 VAL A 94 -1.442 -6.452 -4.510 1.00 0.00 C ATOM 0 H VAL A 94 -3.919 -5.232 -6.372 1.00 0.00 H new ATOM 0 HA VAL A 94 -3.242 -4.687 -3.551 1.00 0.00 H new ATOM 0 HB VAL A 94 -1.472 -4.946 -6.016 1.00 0.00 H new ATOM 0 HG11 VAL A 94 0.419 -4.473 -4.514 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -0.694 -3.089 -4.631 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -0.721 -4.134 -3.190 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -0.431 -6.782 -4.750 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -1.606 -6.537 -3.436 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -2.162 -7.077 -5.038 1.00 0.00 H new ATOM 1432 N ALA A 95 -2.984 -2.210 -3.855 1.00 0.00 N ATOM 1433 CA ALA A 95 -3.047 -0.760 -3.998 1.00 0.00 C ATOM 1434 C ALA A 95 -1.896 -0.085 -3.259 1.00 0.00 C ATOM 1435 O ALA A 95 -1.506 -0.515 -2.174 1.00 0.00 O ATOM 1436 CB ALA A 95 -4.382 -0.238 -3.490 1.00 0.00 C ATOM 0 H ALA A 95 -2.819 -2.533 -2.902 1.00 0.00 H new ATOM 0 HA ALA A 95 -2.955 -0.519 -5.057 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -4.416 0.846 -3.603 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -5.191 -0.688 -4.065 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -4.497 -0.497 -2.438 1.00 0.00 H new ATOM 1442 N ALA A 96 -1.357 0.973 -3.855 1.00 0.00 N ATOM 1443 CA ALA A 96 -0.252 1.708 -3.252 1.00 0.00 C ATOM 1444 C ALA A 96 -0.763 2.855 -2.386 1.00 0.00 C ATOM 1445 O ALA A 96 -1.742 3.518 -2.730 1.00 0.00 O ATOM 1446 CB ALA A 96 0.683 2.235 -4.331 1.00 0.00 C ATOM 0 H ALA A 96 -1.667 1.340 -4.755 1.00 0.00 H new ATOM 0 HA ALA A 96 0.301 1.022 -2.611 1.00 0.00 H new ATOM 0 HB1 ALA A 96 1.503 2.782 -3.866 1.00 0.00 H new ATOM 0 HB2 ALA A 96 1.083 1.400 -4.906 1.00 0.00 H new ATOM 0 HB3 ALA A 96 0.133 2.902 -4.995 1.00 0.00 H new ATOM 1452 N LEU A 97 -0.094 3.084 -1.261 1.00 0.00 N ATOM 1453 CA LEU A 97 -0.481 4.151 -0.345 1.00 0.00 C ATOM 1454 C LEU A 97 0.646 5.167 -0.185 1.00 0.00 C ATOM 1455 O LEU A 97 1.816 4.800 -0.074 1.00 0.00 O ATOM 1456 CB LEU A 97 -0.855 3.568 1.019 1.00 0.00 C ATOM 1457 CG LEU A 97 -1.854 2.410 1.003 1.00 0.00 C ATOM 1458 CD1 LEU A 97 -1.621 1.489 2.190 1.00 0.00 C ATOM 1459 CD2 LEU A 97 -3.281 2.937 1.006 1.00 0.00 C ATOM 0 H LEU A 97 0.719 2.545 -0.962 1.00 0.00 H new ATOM 0 HA LEU A 97 -1.348 4.661 -0.766 1.00 0.00 H new ATOM 0 HB2 LEU A 97 0.057 3.228 1.509 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -1.267 4.369 1.633 1.00 0.00 H new ATOM 0 HG LEU A 97 -1.702 1.836 0.089 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -2.341 0.671 2.163 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -0.610 1.085 2.144 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -1.745 2.050 3.116 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -3.978 2.099 0.994 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -3.446 3.534 1.903 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -3.442 3.555 0.123 1.00 0.00 H new ATOM 1471 N THR A 98 0.285 6.446 -0.171 1.00 0.00 N ATOM 1472 CA THR A 98 1.265 7.515 -0.024 1.00 0.00 C ATOM 1473 C THR A 98 0.839 8.506 1.053 1.00 0.00 C ATOM 1474 O THR A 98 -0.208 8.343 1.681 1.00 0.00 O ATOM 1475 CB THR A 98 1.474 8.272 -1.349 1.00 0.00 C ATOM 1476 OG1 THR A 98 0.248 8.888 -1.760 1.00 0.00 O ATOM 1477 CG2 THR A 98 1.965 7.331 -2.438 1.00 0.00 C ATOM 0 H THR A 98 -0.679 6.767 -0.260 1.00 0.00 H new ATOM 0 HA THR A 98 2.204 7.045 0.269 1.00 0.00 H new ATOM 0 HB THR A 98 2.230 9.041 -1.188 1.00 0.00 H new ATOM 0 HG1 THR A 98 0.422 9.496 -2.509 1.00 0.00 H new ATOM 0 HG21 THR A 98 2.105 7.888 -3.364 1.00 0.00 H new ATOM 0 HG22 THR A 98 2.913 6.887 -2.135 1.00 0.00 H new ATOM 0 HG23 THR A 98 1.229 6.543 -2.597 1.00 0.00 H new ATOM 1485 N ILE A 99 1.656 9.533 1.262 1.00 0.00 N ATOM 1486 CA ILE A 99 1.362 10.552 2.262 1.00 0.00 C ATOM 1487 C ILE A 99 0.025 11.230 1.980 1.00 0.00 C ATOM 1488 O ILE A 99 -0.695 11.611 2.901 1.00 0.00 O ATOM 1489 CB ILE A 99 2.467 11.623 2.316 1.00 0.00 C ATOM 1490 CG1 ILE A 99 2.216 12.586 3.479 1.00 0.00 C ATOM 1491 CG2 ILE A 99 2.535 12.380 0.999 1.00 0.00 C ATOM 1492 CD1 ILE A 99 2.708 12.066 4.811 1.00 0.00 C ATOM 0 H ILE A 99 2.527 9.681 0.752 1.00 0.00 H new ATOM 0 HA ILE A 99 1.313 10.044 3.225 1.00 0.00 H new ATOM 0 HB ILE A 99 3.425 11.129 2.478 1.00 0.00 H new ATOM 0 HG12 ILE A 99 2.706 13.536 3.266 1.00 0.00 H new ATOM 0 HG13 ILE A 99 1.147 12.787 3.549 1.00 0.00 H new ATOM 0 HG21 ILE A 99 3.321 13.134 1.053 1.00 0.00 H new ATOM 0 HG22 ILE A 99 2.755 11.683 0.190 1.00 0.00 H new ATOM 0 HG23 ILE A 99 1.578 12.866 0.809 1.00 0.00 H new ATOM 0 HD11 ILE A 99 2.497 12.800 5.589 1.00 0.00 H new ATOM 0 HD12 ILE A 99 2.200 11.131 5.047 1.00 0.00 H new ATOM 0 HD13 ILE A 99 3.783 11.891 4.759 1.00 0.00 H new ATOM 1504 N ASN A 100 -0.300 11.375 0.699 1.00 0.00 N ATOM 1505 CA ASN A 100 -1.551 12.006 0.295 1.00 0.00 C ATOM 1506 C ASN A 100 -2.746 11.134 0.668 1.00 0.00 C ATOM 1507 O ASN A 100 -3.874 11.615 0.763 1.00 0.00 O ATOM 1508 CB ASN A 100 -1.549 12.270 -1.212 1.00 0.00 C ATOM 1509 CG ASN A 100 -0.284 12.965 -1.676 1.00 0.00 C ATOM 1510 OD1 ASN A 100 0.429 12.466 -2.547 1.00 0.00 O ATOM 1511 ND2 ASN A 100 0.000 14.125 -1.095 1.00 0.00 N ATOM 0 H ASN A 100 0.285 11.064 -0.076 1.00 0.00 H new ATOM 0 HA ASN A 100 -1.638 12.955 0.824 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -1.657 11.325 -1.744 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -2.413 12.882 -1.472 1.00 0.00 H new ATOM 0 HD21 ASN A 100 0.838 14.640 -1.366 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -0.620 14.501 -0.377 1.00 0.00 H new ATOM 1518 N GLY A 101 -2.489 9.846 0.880 1.00 0.00 N ATOM 1519 CA GLY A 101 -3.552 8.927 1.241 1.00 0.00 C ATOM 1520 C GLY A 101 -3.414 7.582 0.556 1.00 0.00 C ATOM 1521 O GLY A 101 -2.316 7.032 0.466 1.00 0.00 O ATOM 0 H GLY A 101 -1.563 9.423 0.808 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -3.552 8.783 2.321 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -4.514 9.368 0.979 1.00 0.00 H new ATOM 1525 N THR A 102 -4.531 7.049 0.072 1.00 0.00 N ATOM 1526 CA THR A 102 -4.531 5.759 -0.606 1.00 0.00 C ATOM 1527 C THR A 102 -4.304 5.925 -2.104 1.00 0.00 C ATOM 1528 O THR A 102 -4.376 7.033 -2.634 1.00 0.00 O ATOM 1529 CB THR A 102 -5.855 5.005 -0.380 1.00 0.00 C ATOM 1530 OG1 THR A 102 -6.960 5.823 -0.781 1.00 0.00 O ATOM 1531 CG2 THR A 102 -6.012 4.614 1.082 1.00 0.00 C ATOM 0 H THR A 102 -5.448 7.491 0.137 1.00 0.00 H new ATOM 0 HA THR A 102 -3.713 5.178 -0.179 1.00 0.00 H new ATOM 0 HB THR A 102 -5.838 4.097 -0.983 1.00 0.00 H new ATOM 0 HG1 THR A 102 -7.798 5.335 -0.636 1.00 0.00 H new ATOM 0 HG21 THR A 102 -6.954 4.083 1.217 1.00 0.00 H new ATOM 0 HG22 THR A 102 -5.185 3.967 1.377 1.00 0.00 H new ATOM 0 HG23 THR A 102 -6.009 5.511 1.701 1.00 0.00 H new ATOM 1539 N GLY A 103 -4.030 4.815 -2.784 1.00 0.00 N ATOM 1540 CA GLY A 103 -3.797 4.860 -4.215 1.00 0.00 C ATOM 1541 C GLY A 103 -4.751 3.969 -4.986 1.00 0.00 C ATOM 1542 O GLY A 103 -5.725 3.450 -4.442 1.00 0.00 O ATOM 0 H GLY A 103 -3.965 3.886 -2.369 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -3.901 5.887 -4.565 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -2.771 4.555 -4.423 1.00 0.00 H new ATOM 1546 N PRO A 104 -4.474 3.783 -6.285 1.00 0.00 N ATOM 1547 CA PRO A 104 -5.303 2.950 -7.160 1.00 0.00 C ATOM 1548 C PRO A 104 -5.193 1.467 -6.824 1.00 0.00 C ATOM 1549 O PRO A 104 -4.264 1.044 -6.136 1.00 0.00 O ATOM 1550 CB PRO A 104 -4.736 3.226 -8.555 1.00 0.00 C ATOM 1551 CG PRO A 104 -3.326 3.643 -8.315 1.00 0.00 C ATOM 1552 CD PRO A 104 -3.328 4.372 -7.000 1.00 0.00 C ATOM 0 HA PRO A 104 -6.363 3.185 -7.062 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -4.784 2.338 -9.185 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -5.299 4.008 -9.064 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -2.664 2.778 -8.281 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -2.968 4.287 -9.118 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -2.395 4.223 -6.456 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -3.449 5.447 -7.136 1.00 0.00 H new ATOM 1560 N ALA A 105 -6.146 0.681 -7.313 1.00 0.00 N ATOM 1561 CA ALA A 105 -6.154 -0.755 -7.066 1.00 0.00 C ATOM 1562 C ALA A 105 -5.971 -1.536 -8.363 1.00 0.00 C ATOM 1563 O ALA A 105 -6.501 -1.159 -9.408 1.00 0.00 O ATOM 1564 CB ALA A 105 -7.448 -1.166 -6.379 1.00 0.00 C ATOM 0 H ALA A 105 -6.923 1.015 -7.883 1.00 0.00 H new ATOM 0 HA ALA A 105 -5.316 -0.990 -6.409 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -7.440 -2.241 -6.201 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -7.538 -0.641 -5.428 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -8.295 -0.910 -7.016 1.00 0.00 H new ATOM 1570 N THR A 106 -5.216 -2.628 -8.289 1.00 0.00 N ATOM 1571 CA THR A 106 -4.961 -3.462 -9.457 1.00 0.00 C ATOM 1572 C THR A 106 -6.216 -4.219 -9.876 1.00 0.00 C ATOM 1573 O THR A 106 -6.951 -4.736 -9.035 1.00 0.00 O ATOM 1574 CB THR A 106 -3.830 -4.473 -9.190 1.00 0.00 C ATOM 1575 OG1 THR A 106 -4.216 -5.375 -8.148 1.00 0.00 O ATOM 1576 CG2 THR A 106 -2.546 -3.757 -8.799 1.00 0.00 C ATOM 0 H THR A 106 -4.770 -2.955 -7.432 1.00 0.00 H new ATOM 0 HA THR A 106 -4.657 -2.793 -10.262 1.00 0.00 H new ATOM 0 HB THR A 106 -3.649 -5.034 -10.107 1.00 0.00 H new ATOM 0 HG1 THR A 106 -4.668 -6.152 -8.539 1.00 0.00 H new ATOM 0 HG21 THR A 106 -1.761 -4.491 -8.615 1.00 0.00 H new ATOM 0 HG22 THR A 106 -2.239 -3.093 -9.607 1.00 0.00 H new ATOM 0 HG23 THR A 106 -2.716 -3.173 -7.894 1.00 0.00 H new ATOM 1584 N ASP A 107 -6.455 -4.282 -11.182 1.00 0.00 N ATOM 1585 CA ASP A 107 -7.621 -4.979 -11.713 1.00 0.00 C ATOM 1586 C ASP A 107 -7.881 -6.268 -10.941 1.00 0.00 C ATOM 1587 O ASP A 107 -6.951 -7.002 -10.607 1.00 0.00 O ATOM 1588 CB ASP A 107 -7.423 -5.289 -13.197 1.00 0.00 C ATOM 1589 CG ASP A 107 -6.511 -4.290 -13.881 1.00 0.00 C ATOM 1590 OD1 ASP A 107 -6.822 -3.081 -13.847 1.00 0.00 O ATOM 1591 OD2 ASP A 107 -5.485 -4.718 -14.451 1.00 0.00 O ATOM 0 H ASP A 107 -5.857 -3.859 -11.892 1.00 0.00 H new ATOM 0 HA ASP A 107 -8.487 -4.328 -11.598 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -7.005 -6.290 -13.303 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -8.392 -5.293 -13.697 1.00 0.00 H new ATOM 1596 N TRP A 108 -9.151 -6.537 -10.660 1.00 0.00 N ATOM 1597 CA TRP A 108 -9.534 -7.738 -9.926 1.00 0.00 C ATOM 1598 C TRP A 108 -8.970 -8.987 -10.594 1.00 0.00 C ATOM 1599 O TRP A 108 -9.454 -9.415 -11.643 1.00 0.00 O ATOM 1600 CB TRP A 108 -11.057 -7.839 -9.831 1.00 0.00 C ATOM 1601 CG TRP A 108 -11.641 -6.997 -8.737 1.00 0.00 C ATOM 1602 CD1 TRP A 108 -12.471 -5.922 -8.885 1.00 0.00 C ATOM 1603 CD2 TRP A 108 -11.438 -7.159 -7.329 1.00 0.00 C ATOM 1604 NE1 TRP A 108 -12.796 -5.407 -7.653 1.00 0.00 N ATOM 1605 CE2 TRP A 108 -12.175 -6.148 -6.683 1.00 0.00 C ATOM 1606 CE3 TRP A 108 -10.706 -8.060 -6.552 1.00 0.00 C ATOM 1607 CZ2 TRP A 108 -12.199 -6.015 -5.297 1.00 0.00 C ATOM 1608 CZ3 TRP A 108 -10.730 -7.927 -5.177 1.00 0.00 C ATOM 1609 CH2 TRP A 108 -11.473 -6.912 -4.561 1.00 0.00 C ATOM 0 H TRP A 108 -9.933 -5.940 -10.929 1.00 0.00 H new ATOM 0 HA TRP A 108 -9.119 -7.667 -8.921 1.00 0.00 H new ATOM 0 HB2 TRP A 108 -11.494 -7.539 -10.783 1.00 0.00 H new ATOM 0 HB3 TRP A 108 -11.335 -8.880 -9.667 1.00 0.00 H new ATOM 0 HD1 TRP A 108 -12.820 -5.534 -9.831 1.00 0.00 H new ATOM 0 HE1 TRP A 108 -13.402 -4.603 -7.488 1.00 0.00 H new ATOM 0 HE3 TRP A 108 -10.131 -8.847 -7.018 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 -12.770 -5.232 -4.820 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 -10.166 -8.617 -4.567 1.00 0.00 H new ATOM 0 HH2 TRP A 108 -11.473 -6.836 -3.484 1.00 0.00 H new ATOM 1620 N LEU A 109 -7.945 -9.569 -9.981 1.00 0.00 N ATOM 1621 CA LEU A 109 -7.315 -10.770 -10.517 1.00 0.00 C ATOM 1622 C LEU A 109 -7.863 -12.021 -9.838 1.00 0.00 C ATOM 1623 O LEU A 109 -7.642 -12.241 -8.647 1.00 0.00 O ATOM 1624 CB LEU A 109 -5.798 -10.700 -10.334 1.00 0.00 C ATOM 1625 CG LEU A 109 -4.959 -11.392 -11.409 1.00 0.00 C ATOM 1626 CD1 LEU A 109 -5.252 -10.800 -12.779 1.00 0.00 C ATOM 1627 CD2 LEU A 109 -3.477 -11.280 -11.083 1.00 0.00 C ATOM 0 H LEU A 109 -7.533 -9.228 -9.112 1.00 0.00 H new ATOM 0 HA LEU A 109 -7.544 -10.826 -11.581 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -5.505 -9.651 -10.293 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -5.548 -11.139 -9.368 1.00 0.00 H new ATOM 0 HG LEU A 109 -5.228 -12.448 -11.428 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -4.646 -11.305 -13.531 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -6.308 -10.933 -13.015 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -5.013 -9.737 -12.775 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -2.895 -11.778 -11.859 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -3.193 -10.229 -11.035 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -3.279 -11.753 -10.121 1.00 0.00 H new ATOM 1639 N SER A 110 -8.576 -12.840 -10.605 1.00 0.00 N ATOM 1640 CA SER A 110 -9.157 -14.069 -10.077 1.00 0.00 C ATOM 1641 C SER A 110 -8.161 -15.222 -10.164 1.00 0.00 C ATOM 1642 O SER A 110 -7.430 -15.352 -11.145 1.00 0.00 O ATOM 1643 CB SER A 110 -10.434 -14.424 -10.841 1.00 0.00 C ATOM 1644 OG SER A 110 -10.134 -14.900 -12.141 1.00 0.00 O ATOM 0 H SER A 110 -8.765 -12.675 -11.594 1.00 0.00 H new ATOM 0 HA SER A 110 -9.404 -13.904 -9.028 1.00 0.00 H new ATOM 0 HB2 SER A 110 -10.991 -15.183 -10.292 1.00 0.00 H new ATOM 0 HB3 SER A 110 -11.076 -13.546 -10.911 1.00 0.00 H new ATOM 0 HG SER A 110 -10.966 -15.122 -12.608 1.00 0.00 H new ATOM 1650 N ALA A 111 -8.140 -16.056 -9.130 1.00 0.00 N ATOM 1651 CA ALA A 111 -7.236 -17.199 -9.089 1.00 0.00 C ATOM 1652 C ALA A 111 -7.910 -18.410 -8.452 1.00 0.00 C ATOM 1653 O ALA A 111 -8.499 -18.308 -7.376 1.00 0.00 O ATOM 1654 CB ALA A 111 -5.966 -16.841 -8.333 1.00 0.00 C ATOM 0 H ALA A 111 -8.739 -15.962 -8.309 1.00 0.00 H new ATOM 0 HA ALA A 111 -6.974 -17.460 -10.114 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -5.300 -17.704 -8.310 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -5.467 -16.011 -8.833 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -6.219 -16.551 -7.313 1.00 0.00 H new ATOM 1660 N GLU A 112 -7.820 -19.553 -9.123 1.00 0.00 N ATOM 1661 CA GLU A 112 -8.424 -20.782 -8.621 1.00 0.00 C ATOM 1662 C GLU A 112 -7.371 -21.685 -7.984 1.00 0.00 C ATOM 1663 O GLU A 112 -6.466 -22.177 -8.660 1.00 0.00 O ATOM 1664 CB GLU A 112 -9.132 -21.528 -9.754 1.00 0.00 C ATOM 1665 CG GLU A 112 -10.239 -22.453 -9.275 1.00 0.00 C ATOM 1666 CD GLU A 112 -10.564 -23.542 -10.278 1.00 0.00 C ATOM 1667 OE1 GLU A 112 -11.226 -23.237 -11.292 1.00 0.00 O ATOM 1668 OE2 GLU A 112 -10.157 -24.700 -10.048 1.00 0.00 O ATOM 0 H GLU A 112 -7.335 -19.654 -10.015 1.00 0.00 H new ATOM 0 HA GLU A 112 -9.156 -20.512 -7.860 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -9.553 -20.801 -10.449 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -8.397 -22.111 -10.309 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -9.942 -22.910 -8.331 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -11.137 -21.867 -9.077 1.00 0.00 H new ATOM 1675 N THR A 113 -7.494 -21.897 -6.677 1.00 0.00 N ATOM 1676 CA THR A 113 -6.554 -22.738 -5.948 1.00 0.00 C ATOM 1677 C THR A 113 -6.566 -24.166 -6.479 1.00 0.00 C ATOM 1678 O THR A 113 -7.404 -24.524 -7.307 1.00 0.00 O ATOM 1679 CB THR A 113 -6.872 -22.760 -4.441 1.00 0.00 C ATOM 1680 OG1 THR A 113 -8.290 -22.775 -4.240 1.00 0.00 O ATOM 1681 CG2 THR A 113 -6.269 -21.551 -3.742 1.00 0.00 C ATOM 0 H THR A 113 -8.236 -21.497 -6.102 1.00 0.00 H new ATOM 0 HA THR A 113 -5.564 -22.307 -6.097 1.00 0.00 H new ATOM 0 HB THR A 113 -6.435 -23.662 -4.013 1.00 0.00 H new ATOM 0 HG1 THR A 113 -8.488 -22.619 -3.293 1.00 0.00 H new ATOM 0 HG21 THR A 113 -6.507 -21.589 -2.679 1.00 0.00 H new ATOM 0 HG22 THR A 113 -5.187 -21.558 -3.872 1.00 0.00 H new ATOM 0 HG23 THR A 113 -6.680 -20.639 -4.174 1.00 0.00 H new ATOM 1689 N PHE A 114 -5.632 -24.980 -5.998 1.00 0.00 N ATOM 1690 CA PHE A 114 -5.535 -26.370 -6.426 1.00 0.00 C ATOM 1691 C PHE A 114 -6.472 -27.257 -5.611 1.00 0.00 C ATOM 1692 O PHE A 114 -6.403 -27.285 -4.382 1.00 0.00 O ATOM 1693 CB PHE A 114 -4.095 -26.869 -6.288 1.00 0.00 C ATOM 1694 CG PHE A 114 -3.092 -26.010 -7.004 1.00 0.00 C ATOM 1695 CD1 PHE A 114 -3.150 -25.854 -8.379 1.00 0.00 C ATOM 1696 CD2 PHE A 114 -2.091 -25.360 -6.301 1.00 0.00 C ATOM 1697 CE1 PHE A 114 -2.228 -25.064 -9.041 1.00 0.00 C ATOM 1698 CE2 PHE A 114 -1.167 -24.568 -6.957 1.00 0.00 C ATOM 1699 CZ PHE A 114 -1.235 -24.421 -8.328 1.00 0.00 C ATOM 0 H PHE A 114 -4.931 -24.700 -5.311 1.00 0.00 H new ATOM 0 HA PHE A 114 -5.832 -26.423 -7.473 1.00 0.00 H new ATOM 0 HB2 PHE A 114 -3.834 -26.914 -5.231 1.00 0.00 H new ATOM 0 HB3 PHE A 114 -4.033 -27.886 -6.675 1.00 0.00 H new ATOM 0 HD1 PHE A 114 -3.924 -26.355 -8.941 1.00 0.00 H new ATOM 0 HD2 PHE A 114 -2.032 -25.473 -5.229 1.00 0.00 H new ATOM 0 HE1 PHE A 114 -2.284 -24.950 -10.113 1.00 0.00 H new ATOM 0 HE2 PHE A 114 -0.393 -24.065 -6.397 1.00 0.00 H new ATOM 0 HZ PHE A 114 -0.513 -23.804 -8.842 1.00 0.00 H new ATOM 1709 N GLU A 115 -7.348 -27.977 -6.304 1.00 0.00 N ATOM 1710 CA GLU A 115 -8.300 -28.863 -5.644 1.00 0.00 C ATOM 1711 C GLU A 115 -7.653 -29.568 -4.455 1.00 0.00 C ATOM 1712 O GLU A 115 -8.331 -29.941 -3.498 1.00 0.00 O ATOM 1713 CB GLU A 115 -8.838 -29.898 -6.634 1.00 0.00 C ATOM 1714 CG GLU A 115 -9.633 -29.292 -7.778 1.00 0.00 C ATOM 1715 CD GLU A 115 -9.557 -30.121 -9.045 1.00 0.00 C ATOM 1716 OE1 GLU A 115 -8.475 -30.676 -9.329 1.00 0.00 O ATOM 1717 OE2 GLU A 115 -10.582 -30.215 -9.754 1.00 0.00 O ATOM 0 H GLU A 115 -7.418 -27.964 -7.321 1.00 0.00 H new ATOM 0 HA GLU A 115 -9.128 -28.256 -5.278 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -8.002 -30.465 -7.044 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -9.471 -30.606 -6.098 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -10.676 -29.190 -7.477 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -9.261 -28.288 -7.982 1.00 0.00 H new ATOM 1724 N SER A 116 -6.338 -29.747 -4.524 1.00 0.00 N ATOM 1725 CA SER A 116 -5.600 -30.410 -3.456 1.00 0.00 C ATOM 1726 C SER A 116 -4.105 -30.130 -3.574 1.00 0.00 C ATOM 1727 O SER A 116 -3.664 -29.423 -4.480 1.00 0.00 O ATOM 1728 CB SER A 116 -5.852 -31.919 -3.494 1.00 0.00 C ATOM 1729 OG SER A 116 -5.436 -32.536 -2.288 1.00 0.00 O ATOM 0 H SER A 116 -5.762 -29.442 -5.308 1.00 0.00 H new ATOM 0 HA SER A 116 -5.952 -30.013 -2.504 1.00 0.00 H new ATOM 0 HB2 SER A 116 -6.913 -32.110 -3.657 1.00 0.00 H new ATOM 0 HB3 SER A 116 -5.316 -32.359 -4.335 1.00 0.00 H new ATOM 0 HG SER A 116 -5.609 -33.499 -2.337 1.00 0.00 H new