USER MOD reduce.3.24.130724 H: found=0, std=0, add=1000, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 1001 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 114 MET CE :methyl 174:sc= -1.84 (180deg=-1.89) USER MOD Set 1.2: A 118 GLN : amide:sc= -6.62! C(o=-8.5!,f=-9.3!) USER MOD Set 2.1: A 98 ASN : amide:sc= -1.18 K(o=-1.1,f=-9.4!) USER MOD Set 2.2: A 99 THR OG1 : rot 180:sc= 0.0312 USER MOD Set 3.1: A 75 SER OG : rot 177:sc= 0 USER MOD Set 3.2: A 80 LYS NZ :NH3+ -127:sc= -0.482 (180deg=-0.866) USER MOD Single : A 20 GLN : amide:sc= 0.636 K(o=0.64,f=-0.9) USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 THR OG1 : rot -111:sc= 1.14 USER MOD Single : A 28 THR OG1 : rot 89:sc= 0.97 USER MOD Single : A 29 GLN : amide:sc= -0.0597 K(o=-0.06,f=-8.3!) USER MOD Single : A 30 CYS SG : rot -0:sc= 0.949 USER MOD Single : A 32 LYS NZ :NH3+ -139:sc= -1.33 (180deg=-3.2!) USER MOD Single : A 38 GLN : amide:sc=-0.00378 X(o=-0.0038,f=-0.043) USER MOD Single : A 43 ASN : amide:sc= -3.7! C(o=-3.7!,f=-7.2!) USER MOD Single : A 45 GLN :FLIP amide:sc= -3.84! C(o=-5.7!,f=-3.8!) USER MOD Single : A 46 ASN : amide:sc= 0.0431 X(o=0.043,f=0) USER MOD Single : A 49 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0225) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0.0761 USER MOD Single : A 55 CYS SG : rot 66:sc= -2.03! USER MOD Single : A 59 ASN : amide:sc= -10.7! C(o=-11!,f=-12!) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= -1.75 X(o=-1.7,f=-1.6) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=-0.058) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc= -2.23 K(o=-2.2,f=-3.2!) USER MOD Single : A 82 MET CE :methyl -135:sc= -4.13 (180deg=-8.96!) USER MOD Single : A 84 GLN : amide:sc= 0.745 K(o=0.75,f=-1.2) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 GLN :FLIP amide:sc=-0.00566 F(o=-0.64,f=-0.0057) USER MOD Single : A 90 GLN : amide:sc= -0.402 X(o=-0.4,f=-0.54) USER MOD Single : A 95 TYR OH : rot -70:sc= -1.55 USER MOD Single : A 100 THR OG1 : rot -44:sc= 0.0538 USER MOD Single : A 104 GLN : amide:sc= -0.355 X(o=-0.35,f=-0.6) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ 153:sc= 0 (180deg=-0.0108) USER MOD Single : A 113 ASN : amide:sc= -0.124 K(o=-0.12,f=-4.6!) USER MOD Single : A 116 CYS SG : rot 180:sc= -0.0241 USER MOD Single : A 120 THR OG1 : rot -35:sc= -0.335 USER MOD Single : A 122 MET CE :methyl -131:sc= -1.89 (180deg=-5.2!) USER MOD Single : A 123 ASN : amide:sc= -0.0286 X(o=-0.029,f=-0.13) USER MOD Single : A 137 SER OG : rot 180:sc= 0 USER MOD Single : A 141 ASN : amide:sc= -0.212 X(o=-0.21,f=-0.21) USER MOD ----------------------------------------------------------------- ATOM 221 N ASP A 17 -15.544 -2.681 -7.260 1.00 0.00 N ATOM 222 CA ASP A 17 -15.982 -3.380 -6.058 1.00 0.00 C ATOM 223 C ASP A 17 -14.871 -3.415 -5.013 1.00 0.00 C ATOM 224 O ASP A 17 -15.135 -3.489 -3.812 1.00 0.00 O ATOM 225 CB ASP A 17 -16.420 -4.805 -6.402 1.00 0.00 C ATOM 226 CG ASP A 17 -17.242 -5.440 -5.298 1.00 0.00 C ATOM 227 OD1 ASP A 17 -16.988 -5.130 -4.115 1.00 0.00 O ATOM 228 OD2 ASP A 17 -18.139 -6.249 -5.616 1.00 0.00 O ATOM 0 HA ASP A 17 -16.831 -2.837 -5.641 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -17.003 -4.791 -7.323 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -15.538 -5.417 -6.593 1.00 0.00 H new ATOM 233 N LEU A 18 -13.627 -3.363 -5.478 1.00 0.00 N ATOM 234 CA LEU A 18 -12.475 -3.389 -4.584 1.00 0.00 C ATOM 235 C LEU A 18 -12.091 -1.979 -4.148 1.00 0.00 C ATOM 236 O LEU A 18 -11.634 -1.769 -3.025 1.00 0.00 O ATOM 237 CB LEU A 18 -11.287 -4.064 -5.272 1.00 0.00 C ATOM 238 CG LEU A 18 -11.449 -5.551 -5.587 1.00 0.00 C ATOM 239 CD1 LEU A 18 -10.440 -5.988 -6.637 1.00 0.00 C ATOM 240 CD2 LEU A 18 -11.299 -6.383 -4.321 1.00 0.00 C ATOM 0 H LEU A 18 -13.391 -3.303 -6.468 1.00 0.00 H new ATOM 0 HA LEU A 18 -12.747 -3.961 -3.697 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -11.085 -3.536 -6.204 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -10.408 -3.941 -4.639 1.00 0.00 H new ATOM 0 HG LEU A 18 -12.450 -5.711 -5.987 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -10.571 -7.049 -6.848 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -10.595 -5.415 -7.551 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -9.430 -5.814 -6.266 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -11.417 -7.439 -4.564 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -10.311 -6.218 -3.892 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -12.062 -6.089 -3.600 1.00 0.00 H new ATOM 252 N GLU A 19 -12.282 -1.015 -5.044 1.00 0.00 N ATOM 253 CA GLU A 19 -11.957 0.375 -4.750 1.00 0.00 C ATOM 254 C GLU A 19 -12.695 0.855 -3.503 1.00 0.00 C ATOM 255 O GLU A 19 -12.094 1.438 -2.601 1.00 0.00 O ATOM 256 CB GLU A 19 -12.313 1.268 -5.941 1.00 0.00 C ATOM 257 CG GLU A 19 -12.025 2.741 -5.705 1.00 0.00 C ATOM 258 CD GLU A 19 -10.545 3.025 -5.529 1.00 0.00 C ATOM 259 OE1 GLU A 19 -9.958 2.524 -4.548 1.00 0.00 O ATOM 260 OE2 GLU A 19 -9.976 3.748 -6.373 1.00 0.00 O ATOM 0 H GLU A 19 -12.660 -1.172 -5.978 1.00 0.00 H new ATOM 0 HA GLU A 19 -10.885 0.439 -4.564 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -11.755 0.933 -6.815 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -13.371 1.146 -6.172 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -12.405 3.321 -6.546 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -12.563 3.075 -4.818 1.00 0.00 H new ATOM 267 N GLN A 20 -13.999 0.605 -3.461 1.00 0.00 N ATOM 268 CA GLN A 20 -14.819 1.012 -2.326 1.00 0.00 C ATOM 269 C GLN A 20 -14.261 0.449 -1.023 1.00 0.00 C ATOM 270 O GLN A 20 -14.280 1.117 0.011 1.00 0.00 O ATOM 271 CB GLN A 20 -16.263 0.546 -2.520 1.00 0.00 C ATOM 272 CG GLN A 20 -16.382 -0.912 -2.933 1.00 0.00 C ATOM 273 CD GLN A 20 -17.823 -1.366 -3.059 1.00 0.00 C ATOM 274 OE1 GLN A 20 -18.751 -0.566 -2.943 1.00 0.00 O ATOM 275 NE2 GLN A 20 -18.017 -2.658 -3.299 1.00 0.00 N ATOM 0 H GLN A 20 -14.511 0.123 -4.200 1.00 0.00 H new ATOM 0 HA GLN A 20 -14.801 2.100 -2.268 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -16.813 0.698 -1.591 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -16.738 1.169 -3.277 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -15.874 -1.058 -3.886 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -15.871 -1.536 -2.200 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -17.218 -3.286 -3.388 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -18.965 -3.022 -3.394 1.00 0.00 H new ATOM 284 N ILE A 21 -13.766 -0.783 -1.080 1.00 0.00 N ATOM 285 CA ILE A 21 -13.203 -1.434 0.096 1.00 0.00 C ATOM 286 C ILE A 21 -11.874 -0.801 0.492 1.00 0.00 C ATOM 287 O ILE A 21 -11.589 -0.618 1.676 1.00 0.00 O ATOM 288 CB ILE A 21 -12.990 -2.941 -0.143 1.00 0.00 C ATOM 289 CG1 ILE A 21 -14.314 -3.615 -0.507 1.00 0.00 C ATOM 290 CG2 ILE A 21 -12.379 -3.591 1.089 1.00 0.00 C ATOM 291 CD1 ILE A 21 -14.181 -5.094 -0.793 1.00 0.00 C ATOM 0 H ILE A 21 -13.744 -1.350 -1.928 1.00 0.00 H new ATOM 0 HA ILE A 21 -13.921 -1.300 0.905 1.00 0.00 H new ATOM 0 HB ILE A 21 -12.299 -3.067 -0.977 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -15.021 -3.474 0.310 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -14.735 -3.121 -1.382 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -12.235 -4.656 0.905 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -11.417 -3.126 1.306 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -13.047 -3.457 1.940 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -15.159 -5.505 -1.044 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -13.499 -5.243 -1.630 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -13.789 -5.601 0.089 1.00 0.00 H new ATOM 303 N LEU A 22 -11.064 -0.465 -0.506 1.00 0.00 N ATOM 304 CA LEU A 22 -9.764 0.151 -0.263 1.00 0.00 C ATOM 305 C LEU A 22 -9.911 1.420 0.571 1.00 0.00 C ATOM 306 O LEU A 22 -9.352 1.524 1.663 1.00 0.00 O ATOM 307 CB LEU A 22 -9.076 0.475 -1.590 1.00 0.00 C ATOM 308 CG LEU A 22 -8.413 -0.701 -2.308 1.00 0.00 C ATOM 309 CD1 LEU A 22 -7.811 -0.250 -3.629 1.00 0.00 C ATOM 310 CD2 LEU A 22 -7.349 -1.335 -1.424 1.00 0.00 C ATOM 0 H LEU A 22 -11.285 -0.609 -1.491 1.00 0.00 H new ATOM 0 HA LEU A 22 -9.151 -0.558 0.293 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -9.814 0.915 -2.261 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -8.318 1.237 -1.407 1.00 0.00 H new ATOM 0 HG LEU A 22 -9.177 -1.450 -2.517 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -7.344 -1.101 -4.125 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -8.596 0.156 -4.267 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -7.061 0.519 -3.443 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -6.888 -2.170 -1.951 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -6.587 -0.593 -1.183 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -7.808 -1.696 -0.504 1.00 0.00 H new ATOM 322 N ILE A 23 -10.667 2.380 0.050 1.00 0.00 N ATOM 323 CA ILE A 23 -10.889 3.640 0.748 1.00 0.00 C ATOM 324 C ILE A 23 -11.388 3.401 2.168 1.00 0.00 C ATOM 325 O ILE A 23 -11.034 4.132 3.092 1.00 0.00 O ATOM 326 CB ILE A 23 -11.904 4.526 0.001 1.00 0.00 C ATOM 327 CG1 ILE A 23 -11.425 4.795 -1.427 1.00 0.00 C ATOM 328 CG2 ILE A 23 -12.117 5.833 0.750 1.00 0.00 C ATOM 329 CD1 ILE A 23 -12.535 5.210 -2.368 1.00 0.00 C ATOM 0 H ILE A 23 -11.136 2.309 -0.853 1.00 0.00 H new ATOM 0 HA ILE A 23 -9.928 4.154 0.785 1.00 0.00 H new ATOM 0 HB ILE A 23 -12.857 3.999 -0.049 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -10.666 5.577 -1.406 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -10.946 3.897 -1.816 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -12.837 6.449 0.210 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -12.498 5.622 1.749 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -11.170 6.366 0.828 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -12.123 5.384 -3.362 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -13.284 4.419 -2.419 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -12.999 6.126 -2.002 1.00 0.00 H new ATOM 341 N GLN A 24 -12.212 2.371 2.335 1.00 0.00 N ATOM 342 CA GLN A 24 -12.759 2.034 3.644 1.00 0.00 C ATOM 343 C GLN A 24 -11.663 1.534 4.579 1.00 0.00 C ATOM 344 O GLN A 24 -11.626 1.895 5.756 1.00 0.00 O ATOM 345 CB GLN A 24 -13.852 0.973 3.506 1.00 0.00 C ATOM 346 CG GLN A 24 -15.191 1.534 3.056 1.00 0.00 C ATOM 347 CD GLN A 24 -16.316 0.525 3.174 1.00 0.00 C ATOM 348 OE1 GLN A 24 -17.032 0.492 4.175 1.00 0.00 O ATOM 349 NE2 GLN A 24 -16.478 -0.304 2.150 1.00 0.00 N ATOM 0 H GLN A 24 -12.515 1.756 1.580 1.00 0.00 H new ATOM 0 HA GLN A 24 -13.193 2.938 4.072 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -13.525 0.218 2.791 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -13.982 0.470 4.464 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -15.432 2.413 3.654 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -15.112 1.865 2.021 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -15.861 -0.241 1.340 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -17.219 -1.004 2.173 1.00 0.00 H new ATOM 358 N TRP A 25 -10.774 0.702 4.049 1.00 0.00 N ATOM 359 CA TRP A 25 -9.678 0.151 4.838 1.00 0.00 C ATOM 360 C TRP A 25 -8.602 1.204 5.084 1.00 0.00 C ATOM 361 O TRP A 25 -8.352 1.593 6.225 1.00 0.00 O ATOM 362 CB TRP A 25 -9.070 -1.061 4.129 1.00 0.00 C ATOM 363 CG TRP A 25 -7.832 -1.579 4.795 1.00 0.00 C ATOM 364 CD1 TRP A 25 -7.698 -1.946 6.104 1.00 0.00 C ATOM 365 CD2 TRP A 25 -6.554 -1.788 4.185 1.00 0.00 C ATOM 366 NE1 TRP A 25 -6.413 -2.369 6.344 1.00 0.00 N ATOM 367 CE2 TRP A 25 -5.691 -2.283 5.183 1.00 0.00 C ATOM 368 CE3 TRP A 25 -6.054 -1.606 2.893 1.00 0.00 C ATOM 369 CZ2 TRP A 25 -4.359 -2.596 4.926 1.00 0.00 C ATOM 370 CZ3 TRP A 25 -4.732 -1.917 2.640 1.00 0.00 C ATOM 371 CH2 TRP A 25 -3.897 -2.408 3.652 1.00 0.00 C ATOM 0 H TRP A 25 -10.790 0.394 3.077 1.00 0.00 H new ATOM 0 HA TRP A 25 -10.079 -0.164 5.801 1.00 0.00 H new ATOM 0 HB2 TRP A 25 -9.812 -1.858 4.087 1.00 0.00 H new ATOM 0 HB3 TRP A 25 -8.834 -0.790 3.100 1.00 0.00 H new ATOM 0 HD1 TRP A 25 -8.486 -1.909 6.842 1.00 0.00 H new ATOM 0 HE1 TRP A 25 -6.054 -2.695 7.242 1.00 0.00 H new ATOM 0 HE3 TRP A 25 -6.690 -1.229 2.106 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 -3.713 -2.974 5.705 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 -4.335 -1.779 1.645 1.00 0.00 H new ATOM 0 HH2 TRP A 25 -2.868 -2.643 3.422 1.00 0.00 H new ATOM 382 N ILE A 26 -7.970 1.660 4.008 1.00 0.00 N ATOM 383 CA ILE A 26 -6.922 2.668 4.108 1.00 0.00 C ATOM 384 C ILE A 26 -7.252 3.698 5.184 1.00 0.00 C ATOM 385 O ILE A 26 -6.475 3.909 6.116 1.00 0.00 O ATOM 386 CB ILE A 26 -6.709 3.394 2.766 1.00 0.00 C ATOM 387 CG1 ILE A 26 -6.283 2.399 1.685 1.00 0.00 C ATOM 388 CG2 ILE A 26 -5.672 4.496 2.919 1.00 0.00 C ATOM 389 CD1 ILE A 26 -6.558 2.881 0.278 1.00 0.00 C ATOM 0 H ILE A 26 -8.165 1.347 3.057 1.00 0.00 H new ATOM 0 HA ILE A 26 -6.005 2.145 4.378 1.00 0.00 H new ATOM 0 HB ILE A 26 -7.652 3.849 2.462 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -5.217 2.196 1.789 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -6.804 1.455 1.845 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -5.532 5.000 1.962 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -6.014 5.217 3.662 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -4.726 4.063 3.242 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -6.231 2.125 -0.436 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -7.627 3.057 0.156 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -6.015 3.809 0.099 1.00 0.00 H new ATOM 401 N THR A 27 -8.410 4.336 5.049 1.00 0.00 N ATOM 402 CA THR A 27 -8.843 5.343 6.010 1.00 0.00 C ATOM 403 C THR A 27 -8.837 4.788 7.429 1.00 0.00 C ATOM 404 O THR A 27 -8.507 5.495 8.382 1.00 0.00 O ATOM 405 CB THR A 27 -10.256 5.863 5.680 1.00 0.00 C ATOM 406 OG1 THR A 27 -11.148 4.762 5.479 1.00 0.00 O ATOM 407 CG2 THR A 27 -10.233 6.738 4.435 1.00 0.00 C ATOM 0 H THR A 27 -9.065 4.173 4.284 1.00 0.00 H new ATOM 0 HA THR A 27 -8.135 6.169 5.943 1.00 0.00 H new ATOM 0 HB THR A 27 -10.604 6.463 6.520 1.00 0.00 H new ATOM 0 HG1 THR A 27 -11.411 4.722 4.536 1.00 0.00 H new ATOM 0 HG21 THR A 27 -11.241 7.093 4.221 1.00 0.00 H new ATOM 0 HG22 THR A 27 -9.575 7.591 4.602 1.00 0.00 H new ATOM 0 HG23 THR A 27 -9.866 6.157 3.589 1.00 0.00 H new ATOM 415 N THR A 28 -9.204 3.517 7.565 1.00 0.00 N ATOM 416 CA THR A 28 -9.241 2.867 8.868 1.00 0.00 C ATOM 417 C THR A 28 -7.834 2.589 9.384 1.00 0.00 C ATOM 418 O THR A 28 -7.451 3.062 10.454 1.00 0.00 O ATOM 419 CB THR A 28 -10.027 1.543 8.814 1.00 0.00 C ATOM 420 OG1 THR A 28 -11.414 1.806 8.575 1.00 0.00 O ATOM 421 CG2 THR A 28 -9.868 0.766 10.112 1.00 0.00 C ATOM 0 H THR A 28 -9.480 2.918 6.787 1.00 0.00 H new ATOM 0 HA THR A 28 -9.746 3.553 9.549 1.00 0.00 H new ATOM 0 HB THR A 28 -9.627 0.941 7.998 1.00 0.00 H new ATOM 0 HG1 THR A 28 -11.579 1.839 7.610 1.00 0.00 H new ATOM 0 HG21 THR A 28 -10.432 -0.165 10.050 1.00 0.00 H new ATOM 0 HG22 THR A 28 -8.814 0.542 10.275 1.00 0.00 H new ATOM 0 HG23 THR A 28 -10.244 1.364 10.942 1.00 0.00 H new ATOM 429 N GLN A 29 -7.069 1.820 8.617 1.00 0.00 N ATOM 430 CA GLN A 29 -5.703 1.480 8.998 1.00 0.00 C ATOM 431 C GLN A 29 -5.012 2.665 9.664 1.00 0.00 C ATOM 432 O GLN A 29 -4.449 2.537 10.752 1.00 0.00 O ATOM 433 CB GLN A 29 -4.905 1.032 7.772 1.00 0.00 C ATOM 434 CG GLN A 29 -3.806 0.032 8.093 1.00 0.00 C ATOM 435 CD GLN A 29 -4.265 -1.053 9.047 1.00 0.00 C ATOM 436 OE1 GLN A 29 -5.060 -1.920 8.683 1.00 0.00 O ATOM 437 NE2 GLN A 29 -3.765 -1.011 10.276 1.00 0.00 N ATOM 0 H GLN A 29 -7.371 1.421 7.728 1.00 0.00 H new ATOM 0 HA GLN A 29 -5.747 0.659 9.714 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -5.587 0.589 7.047 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -4.461 1.907 7.298 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -3.456 -0.427 7.168 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -2.957 0.558 8.529 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -3.109 -0.274 10.535 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -4.037 -1.715 10.962 1.00 0.00 H new ATOM 446 N CYS A 30 -5.059 3.817 9.005 1.00 0.00 N ATOM 447 CA CYS A 30 -4.436 5.026 9.533 1.00 0.00 C ATOM 448 C CYS A 30 -5.259 5.605 10.679 1.00 0.00 C ATOM 449 O CYS A 30 -6.444 5.896 10.520 1.00 0.00 O ATOM 450 CB CYS A 30 -4.277 6.068 8.425 1.00 0.00 C ATOM 451 SG CYS A 30 -5.841 6.725 7.800 1.00 0.00 S ATOM 0 H CYS A 30 -5.522 3.940 8.104 1.00 0.00 H new ATOM 0 HA CYS A 30 -3.451 4.761 9.916 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -3.673 6.894 8.801 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -3.726 5.621 7.597 1.00 0.00 H new ATOM 0 HG CYS A 30 -6.830 6.161 8.427 1.00 0.00 H new ATOM 457 N ARG A 31 -4.622 5.769 11.834 1.00 0.00 N ATOM 458 CA ARG A 31 -5.296 6.311 13.008 1.00 0.00 C ATOM 459 C ARG A 31 -5.930 7.663 12.695 1.00 0.00 C ATOM 460 O ARG A 31 -7.152 7.779 12.595 1.00 0.00 O ATOM 461 CB ARG A 31 -4.309 6.455 14.167 1.00 0.00 C ATOM 462 CG ARG A 31 -3.882 5.127 14.772 1.00 0.00 C ATOM 463 CD ARG A 31 -3.256 5.316 16.145 1.00 0.00 C ATOM 464 NE ARG A 31 -4.250 5.664 17.157 1.00 0.00 N ATOM 465 CZ ARG A 31 -3.996 5.682 18.461 1.00 0.00 C ATOM 466 NH1 ARG A 31 -2.787 5.373 18.909 1.00 0.00 N ATOM 467 NH2 ARG A 31 -4.953 6.009 19.320 1.00 0.00 N ATOM 0 H ARG A 31 -3.640 5.534 11.982 1.00 0.00 H new ATOM 0 HA ARG A 31 -6.086 5.617 13.296 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -3.424 6.986 13.816 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -4.762 7.070 14.945 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -4.746 4.468 14.853 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -3.168 4.637 14.110 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -2.745 4.400 16.439 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -2.501 6.100 16.094 1.00 0.00 H new ATOM 0 HE ARG A 31 -5.191 5.906 16.846 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -2.049 5.121 18.252 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -2.595 5.388 19.911 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -5.885 6.247 18.979 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -4.757 6.023 20.321 1.00 0.00 H new ATOM 481 N LYS A 32 -5.092 8.682 12.541 1.00 0.00 N ATOM 482 CA LYS A 32 -5.569 10.026 12.239 1.00 0.00 C ATOM 483 C LYS A 32 -6.410 10.032 10.966 1.00 0.00 C ATOM 484 O LYS A 32 -6.377 9.081 10.185 1.00 0.00 O ATOM 485 CB LYS A 32 -4.388 10.987 12.086 1.00 0.00 C ATOM 486 CG LYS A 32 -3.586 10.768 10.815 1.00 0.00 C ATOM 487 CD LYS A 32 -4.114 11.615 9.670 1.00 0.00 C ATOM 488 CE LYS A 32 -3.714 13.074 9.826 1.00 0.00 C ATOM 489 NZ LYS A 32 -4.695 13.834 10.649 1.00 0.00 N ATOM 0 H LYS A 32 -4.078 8.603 12.620 1.00 0.00 H new ATOM 0 HA LYS A 32 -6.194 10.357 13.069 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -4.760 12.011 12.099 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -3.727 10.877 12.946 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -2.540 11.013 10.997 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -3.623 9.715 10.537 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -3.731 11.231 8.725 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -5.200 11.537 9.629 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -2.729 13.133 10.289 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -3.632 13.535 8.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -4.849 14.772 10.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -5.596 13.316 10.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -4.325 13.945 11.615 1.00 0.00 H new ATOM 503 N ASP A 33 -7.161 11.109 10.763 1.00 0.00 N ATOM 504 CA ASP A 33 -8.008 11.239 9.584 1.00 0.00 C ATOM 505 C ASP A 33 -7.283 11.994 8.474 1.00 0.00 C ATOM 506 O ASP A 33 -7.264 13.225 8.456 1.00 0.00 O ATOM 507 CB ASP A 33 -9.309 11.959 9.941 1.00 0.00 C ATOM 508 CG ASP A 33 -10.384 11.771 8.888 1.00 0.00 C ATOM 509 OD1 ASP A 33 -10.793 10.613 8.658 1.00 0.00 O ATOM 510 OD2 ASP A 33 -10.816 12.781 8.294 1.00 0.00 O ATOM 0 H ASP A 33 -7.200 11.905 11.400 1.00 0.00 H new ATOM 0 HA ASP A 33 -8.243 10.237 9.224 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -9.674 11.589 10.899 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -9.109 13.023 10.066 1.00 0.00 H new ATOM 515 N VAL A 34 -6.685 11.248 7.550 1.00 0.00 N ATOM 516 CA VAL A 34 -5.958 11.846 6.437 1.00 0.00 C ATOM 517 C VAL A 34 -6.872 12.730 5.596 1.00 0.00 C ATOM 518 O VAL A 34 -6.441 13.743 5.047 1.00 0.00 O ATOM 519 CB VAL A 34 -5.330 10.768 5.534 1.00 0.00 C ATOM 520 CG1 VAL A 34 -4.171 10.086 6.243 1.00 0.00 C ATOM 521 CG2 VAL A 34 -6.379 9.752 5.109 1.00 0.00 C ATOM 0 H VAL A 34 -6.690 10.228 7.551 1.00 0.00 H new ATOM 0 HA VAL A 34 -5.164 12.456 6.868 1.00 0.00 H new ATOM 0 HB VAL A 34 -4.942 11.251 4.637 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -3.740 9.328 5.589 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -3.410 10.826 6.491 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -4.531 9.615 7.158 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -5.918 8.998 4.471 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -6.800 9.272 5.993 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -7.172 10.257 4.558 1.00 0.00 H new ATOM 531 N GLY A 35 -8.139 12.338 5.498 1.00 0.00 N ATOM 532 CA GLY A 35 -9.095 13.106 4.722 1.00 0.00 C ATOM 533 C GLY A 35 -9.901 12.241 3.773 1.00 0.00 C ATOM 534 O GLY A 35 -9.935 12.493 2.569 1.00 0.00 O ATOM 0 H GLY A 35 -8.520 11.503 5.942 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -9.773 13.626 5.399 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -8.566 13.869 4.152 1.00 0.00 H new ATOM 538 N ARG A 36 -10.550 11.216 4.317 1.00 0.00 N ATOM 539 CA ARG A 36 -11.357 10.308 3.510 1.00 0.00 C ATOM 540 C ARG A 36 -12.019 11.052 2.354 1.00 0.00 C ATOM 541 O ARG A 36 -13.070 11.675 2.505 1.00 0.00 O ATOM 542 CB ARG A 36 -12.424 9.635 4.375 1.00 0.00 C ATOM 543 CG ARG A 36 -13.444 8.841 3.576 1.00 0.00 C ATOM 544 CD ARG A 36 -14.709 8.590 4.381 1.00 0.00 C ATOM 545 NE ARG A 36 -14.543 7.496 5.334 1.00 0.00 N ATOM 546 CZ ARG A 36 -14.410 6.223 4.977 1.00 0.00 C ATOM 547 NH1 ARG A 36 -14.422 5.887 3.694 1.00 0.00 N ATOM 548 NH2 ARG A 36 -14.263 5.285 5.903 1.00 0.00 N ATOM 0 H ARG A 36 -10.533 10.994 5.312 1.00 0.00 H new ATOM 0 HA ARG A 36 -10.698 9.544 3.098 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -11.936 8.970 5.087 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -12.943 10.398 4.955 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -13.694 9.382 2.663 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -13.009 7.888 3.273 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -14.984 9.499 4.916 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -15.530 8.359 3.703 1.00 0.00 H new ATOM 0 HE ARG A 36 -14.528 7.722 6.329 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -14.533 6.606 2.979 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -14.320 4.909 3.422 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -14.252 5.540 6.890 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -14.161 4.308 5.628 1.00 0.00 H new ATOM 562 N PRO A 37 -11.391 10.985 1.170 1.00 0.00 N ATOM 563 CA PRO A 37 -11.901 11.646 -0.035 1.00 0.00 C ATOM 564 C PRO A 37 -13.172 10.988 -0.562 1.00 0.00 C ATOM 565 O PRO A 37 -13.774 10.154 0.112 1.00 0.00 O ATOM 566 CB PRO A 37 -10.758 11.482 -1.040 1.00 0.00 C ATOM 567 CG PRO A 37 -10.021 10.271 -0.582 1.00 0.00 C ATOM 568 CD PRO A 37 -10.134 10.260 0.918 1.00 0.00 C ATOM 0 HA PRO A 37 -12.175 12.684 0.154 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -11.138 11.354 -2.054 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -10.111 12.359 -1.050 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -10.451 9.367 -1.012 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -8.977 10.308 -0.894 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -10.170 9.244 1.311 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -9.284 10.754 1.389 1.00 0.00 H new ATOM 576 N GLN A 38 -13.572 11.370 -1.770 1.00 0.00 N ATOM 577 CA GLN A 38 -14.772 10.817 -2.387 1.00 0.00 C ATOM 578 C GLN A 38 -14.551 9.368 -2.806 1.00 0.00 C ATOM 579 O GLN A 38 -13.440 8.956 -3.140 1.00 0.00 O ATOM 580 CB GLN A 38 -15.180 11.655 -3.601 1.00 0.00 C ATOM 581 CG GLN A 38 -14.125 11.694 -4.695 1.00 0.00 C ATOM 582 CD GLN A 38 -14.657 12.258 -5.998 1.00 0.00 C ATOM 583 OE1 GLN A 38 -15.364 13.265 -6.009 1.00 0.00 O ATOM 584 NE2 GLN A 38 -14.317 11.609 -7.106 1.00 0.00 N ATOM 0 H GLN A 38 -13.083 12.060 -2.341 1.00 0.00 H new ATOM 0 HA GLN A 38 -15.574 10.844 -1.649 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -16.106 11.254 -4.014 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -15.391 12.673 -3.275 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -13.281 12.297 -4.360 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -13.748 10.686 -4.867 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -13.729 10.778 -7.050 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -14.644 11.942 -8.013 1.00 0.00 H new ATOM 593 N PRO A 39 -15.632 8.574 -2.788 1.00 0.00 N ATOM 594 CA PRO A 39 -15.580 7.158 -3.163 1.00 0.00 C ATOM 595 C PRO A 39 -15.341 6.962 -4.656 1.00 0.00 C ATOM 596 O PRO A 39 -15.245 5.834 -5.137 1.00 0.00 O ATOM 597 CB PRO A 39 -16.965 6.637 -2.771 1.00 0.00 C ATOM 598 CG PRO A 39 -17.848 7.836 -2.814 1.00 0.00 C ATOM 599 CD PRO A 39 -16.988 8.998 -2.400 1.00 0.00 C ATOM 0 HA PRO A 39 -14.758 6.636 -2.673 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -17.309 5.868 -3.462 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -16.953 6.190 -1.777 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -18.253 7.987 -3.815 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -18.697 7.720 -2.141 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -17.282 9.917 -2.907 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -17.058 9.189 -1.329 1.00 0.00 H new ATOM 607 N GLY A 40 -15.243 8.070 -5.386 1.00 0.00 N ATOM 608 CA GLY A 40 -15.015 7.997 -6.817 1.00 0.00 C ATOM 609 C GLY A 40 -13.634 7.472 -7.158 1.00 0.00 C ATOM 610 O GLY A 40 -12.754 7.417 -6.299 1.00 0.00 O ATOM 0 H GLY A 40 -15.317 9.016 -5.011 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -15.768 7.351 -7.269 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -15.142 8.988 -7.253 1.00 0.00 H new ATOM 614 N ARG A 41 -13.444 7.084 -8.415 1.00 0.00 N ATOM 615 CA ARG A 41 -12.162 6.558 -8.866 1.00 0.00 C ATOM 616 C ARG A 41 -11.284 7.673 -9.427 1.00 0.00 C ATOM 617 O ARG A 41 -10.137 7.440 -9.808 1.00 0.00 O ATOM 618 CB ARG A 41 -12.375 5.479 -9.930 1.00 0.00 C ATOM 619 CG ARG A 41 -12.906 6.019 -11.247 1.00 0.00 C ATOM 620 CD ARG A 41 -12.558 5.099 -12.407 1.00 0.00 C ATOM 621 NE ARG A 41 -13.519 5.209 -13.501 1.00 0.00 N ATOM 622 CZ ARG A 41 -14.676 4.556 -13.531 1.00 0.00 C ATOM 623 NH1 ARG A 41 -15.013 3.752 -12.533 1.00 0.00 N ATOM 624 NH2 ARG A 41 -15.498 4.708 -14.562 1.00 0.00 N ATOM 0 H ARG A 41 -14.162 7.124 -9.139 1.00 0.00 H new ATOM 0 HA ARG A 41 -11.656 6.117 -8.007 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -11.429 4.968 -10.111 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -13.071 4.734 -9.545 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -13.988 6.134 -11.184 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -12.490 7.010 -11.429 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -11.561 5.341 -12.775 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -12.526 4.068 -12.055 1.00 0.00 H new ATOM 0 HE ARG A 41 -13.290 5.820 -14.285 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -14.384 3.633 -11.739 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -15.902 3.252 -12.559 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -15.242 5.326 -15.332 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -16.386 4.207 -14.585 1.00 0.00 H new ATOM 638 N GLU A 42 -11.831 8.883 -9.474 1.00 0.00 N ATOM 639 CA GLU A 42 -11.097 10.033 -9.990 1.00 0.00 C ATOM 640 C GLU A 42 -10.274 10.692 -8.887 1.00 0.00 C ATOM 641 O GLU A 42 -9.232 11.291 -9.149 1.00 0.00 O ATOM 642 CB GLU A 42 -12.063 11.052 -10.598 1.00 0.00 C ATOM 643 CG GLU A 42 -12.807 10.533 -11.817 1.00 0.00 C ATOM 644 CD GLU A 42 -13.416 11.647 -12.647 1.00 0.00 C ATOM 645 OE1 GLU A 42 -14.546 12.072 -12.329 1.00 0.00 O ATOM 646 OE2 GLU A 42 -12.763 12.092 -13.613 1.00 0.00 O ATOM 0 H GLU A 42 -12.779 9.093 -9.161 1.00 0.00 H new ATOM 0 HA GLU A 42 -10.417 9.680 -10.766 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -12.788 11.350 -9.840 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -11.506 11.947 -10.876 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -12.122 9.956 -12.438 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -13.595 9.853 -11.495 1.00 0.00 H new ATOM 653 N ASN A 43 -10.751 10.577 -7.651 1.00 0.00 N ATOM 654 CA ASN A 43 -10.060 11.162 -6.508 1.00 0.00 C ATOM 655 C ASN A 43 -8.998 10.209 -5.968 1.00 0.00 C ATOM 656 O ASN A 43 -7.860 10.608 -5.719 1.00 0.00 O ATOM 657 CB ASN A 43 -11.061 11.506 -5.403 1.00 0.00 C ATOM 658 CG ASN A 43 -10.393 12.126 -4.190 1.00 0.00 C ATOM 659 OD1 ASN A 43 -9.424 11.585 -3.658 1.00 0.00 O ATOM 660 ND2 ASN A 43 -10.911 13.266 -3.748 1.00 0.00 N ATOM 0 H ASN A 43 -11.613 10.084 -7.416 1.00 0.00 H new ATOM 0 HA ASN A 43 -9.567 12.075 -6.841 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -11.808 12.196 -5.795 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -11.590 10.602 -5.101 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -10.505 13.730 -2.935 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -11.715 13.678 -4.221 1.00 0.00 H new ATOM 667 N PHE A 44 -9.377 8.948 -5.791 1.00 0.00 N ATOM 668 CA PHE A 44 -8.457 7.938 -5.281 1.00 0.00 C ATOM 669 C PHE A 44 -7.037 8.195 -5.777 1.00 0.00 C ATOM 670 O PHE A 44 -6.084 8.177 -4.998 1.00 0.00 O ATOM 671 CB PHE A 44 -8.913 6.541 -5.707 1.00 0.00 C ATOM 672 CG PHE A 44 -8.266 5.434 -4.924 1.00 0.00 C ATOM 673 CD1 PHE A 44 -7.063 4.886 -5.339 1.00 0.00 C ATOM 674 CD2 PHE A 44 -8.860 4.943 -3.773 1.00 0.00 C ATOM 675 CE1 PHE A 44 -6.466 3.867 -4.621 1.00 0.00 C ATOM 676 CE2 PHE A 44 -8.268 3.924 -3.051 1.00 0.00 C ATOM 677 CZ PHE A 44 -7.069 3.387 -3.474 1.00 0.00 C ATOM 0 H PHE A 44 -10.315 8.601 -5.993 1.00 0.00 H new ATOM 0 HA PHE A 44 -8.459 7.997 -4.193 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -9.995 6.471 -5.594 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -8.693 6.403 -6.766 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -6.586 5.259 -6.233 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -9.797 5.361 -3.436 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -5.529 3.446 -4.956 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -8.743 3.548 -2.157 1.00 0.00 H new ATOM 0 HZ PHE A 44 -6.603 2.593 -2.910 1.00 0.00 H new ATOM 687 N GLN A 45 -6.905 8.434 -7.078 1.00 0.00 N ATOM 688 CA GLN A 45 -5.602 8.693 -7.678 1.00 0.00 C ATOM 689 C GLN A 45 -4.910 9.867 -6.992 1.00 0.00 C ATOM 690 O GLN A 45 -3.743 9.778 -6.615 1.00 0.00 O ATOM 691 CB GLN A 45 -5.753 8.979 -9.173 1.00 0.00 C ATOM 692 CG GLN A 45 -4.456 8.836 -9.954 1.00 0.00 C ATOM 693 CD GLN A 45 -4.397 9.753 -11.159 1.00 0.00 C ATOM 694 OE1 GLN A 45 -3.197 10.214 -11.494 1.00 0.00 O flip ATOM 695 NE2 GLN A 45 -5.418 10.045 -11.783 1.00 0.00 N flip ATOM 0 H GLN A 45 -7.684 8.454 -7.736 1.00 0.00 H new ATOM 0 HA GLN A 45 -4.986 7.803 -7.545 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -6.496 8.300 -9.591 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -6.137 9.991 -9.304 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -3.614 9.052 -9.296 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -4.346 7.803 -10.283 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -6.320 9.668 -11.491 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -5.362 10.664 -12.592 1.00 0.00 H new ATOM 704 N ASN A 46 -5.640 10.967 -6.833 1.00 0.00 N ATOM 705 CA ASN A 46 -5.096 12.159 -6.193 1.00 0.00 C ATOM 706 C ASN A 46 -4.790 11.894 -4.722 1.00 0.00 C ATOM 707 O ASN A 46 -3.871 12.484 -4.153 1.00 0.00 O ATOM 708 CB ASN A 46 -6.079 13.324 -6.319 1.00 0.00 C ATOM 709 CG ASN A 46 -6.189 13.836 -7.743 1.00 0.00 C ATOM 710 OD1 ASN A 46 -5.347 14.606 -8.204 1.00 0.00 O ATOM 711 ND2 ASN A 46 -7.231 13.409 -8.446 1.00 0.00 N ATOM 0 H ASN A 46 -6.609 11.057 -7.138 1.00 0.00 H new ATOM 0 HA ASN A 46 -4.166 12.421 -6.698 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -7.062 13.005 -5.973 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -5.760 14.137 -5.667 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -7.358 13.719 -9.409 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -7.905 12.771 -8.023 1.00 0.00 H new ATOM 718 N TRP A 47 -5.566 11.005 -4.113 1.00 0.00 N ATOM 719 CA TRP A 47 -5.377 10.662 -2.707 1.00 0.00 C ATOM 720 C TRP A 47 -3.970 10.130 -2.461 1.00 0.00 C ATOM 721 O TRP A 47 -3.255 10.619 -1.585 1.00 0.00 O ATOM 722 CB TRP A 47 -6.412 9.623 -2.272 1.00 0.00 C ATOM 723 CG TRP A 47 -6.662 9.618 -0.794 1.00 0.00 C ATOM 724 CD1 TRP A 47 -6.575 10.683 0.056 1.00 0.00 C ATOM 725 CD2 TRP A 47 -7.037 8.492 0.008 1.00 0.00 C ATOM 726 NE1 TRP A 47 -6.874 10.288 1.338 1.00 0.00 N ATOM 727 CE2 TRP A 47 -7.162 8.949 1.334 1.00 0.00 C ATOM 728 CE3 TRP A 47 -7.282 7.144 -0.266 1.00 0.00 C ATOM 729 CZ2 TRP A 47 -7.519 8.104 2.382 1.00 0.00 C ATOM 730 CZ3 TRP A 47 -7.636 6.307 0.774 1.00 0.00 C ATOM 731 CH2 TRP A 47 -7.753 6.789 2.085 1.00 0.00 C ATOM 0 H TRP A 47 -6.331 10.509 -4.569 1.00 0.00 H new ATOM 0 HA TRP A 47 -5.511 11.568 -2.116 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -7.351 9.816 -2.792 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -6.075 8.633 -2.580 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -6.310 11.688 -0.236 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -6.880 10.893 2.159 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -7.196 6.763 -1.273 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -7.608 8.473 3.393 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -7.826 5.263 0.574 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -8.033 6.109 2.876 1.00 0.00 H new ATOM 742 N LEU A 48 -3.577 9.127 -3.238 1.00 0.00 N ATOM 743 CA LEU A 48 -2.253 8.528 -3.104 1.00 0.00 C ATOM 744 C LEU A 48 -1.218 9.309 -3.908 1.00 0.00 C ATOM 745 O LEU A 48 -0.039 9.343 -3.556 1.00 0.00 O ATOM 746 CB LEU A 48 -2.281 7.071 -3.567 1.00 0.00 C ATOM 747 CG LEU A 48 -3.543 6.280 -3.219 1.00 0.00 C ATOM 748 CD1 LEU A 48 -3.487 4.889 -3.832 1.00 0.00 C ATOM 749 CD2 LEU A 48 -3.718 6.193 -1.709 1.00 0.00 C ATOM 0 H LEU A 48 -4.156 8.711 -3.968 1.00 0.00 H new ATOM 0 HA LEU A 48 -1.971 8.563 -2.052 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -2.151 7.052 -4.649 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.423 6.557 -3.134 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.404 6.804 -3.635 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -4.393 4.341 -3.574 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.410 4.972 -4.916 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -2.618 4.356 -3.446 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -4.621 5.627 -1.479 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -2.855 5.692 -1.271 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -3.804 7.197 -1.294 1.00 0.00 H new ATOM 761 N LYS A 49 -1.668 9.939 -4.988 1.00 0.00 N ATOM 762 CA LYS A 49 -0.784 10.724 -5.841 1.00 0.00 C ATOM 763 C LYS A 49 0.226 11.504 -5.005 1.00 0.00 C ATOM 764 O LYS A 49 1.434 11.412 -5.228 1.00 0.00 O ATOM 765 CB LYS A 49 -1.599 11.687 -6.706 1.00 0.00 C ATOM 766 CG LYS A 49 -0.750 12.713 -7.439 1.00 0.00 C ATOM 767 CD LYS A 49 -0.575 13.980 -6.619 1.00 0.00 C ATOM 768 CE LYS A 49 0.158 15.056 -7.405 1.00 0.00 C ATOM 769 NZ LYS A 49 -0.713 15.675 -8.443 1.00 0.00 N ATOM 0 H LYS A 49 -2.641 9.921 -5.293 1.00 0.00 H new ATOM 0 HA LYS A 49 -0.240 10.037 -6.489 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -2.170 11.113 -7.435 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -2.320 12.208 -6.075 1.00 0.00 H new ATOM 0 HG2 LYS A 49 0.227 12.285 -7.662 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -1.216 12.958 -8.393 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -1.552 14.354 -6.312 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -0.021 13.752 -5.709 1.00 0.00 H new ATOM 0 HE2 LYS A 49 0.512 15.827 -6.721 1.00 0.00 H new ATOM 0 HE3 LYS A 49 1.038 14.623 -7.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -0.199 16.449 -8.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -0.976 14.958 -9.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -1.573 16.051 -7.995 1.00 0.00 H new ATOM 783 N ASP A 50 -0.275 12.271 -4.043 1.00 0.00 N ATOM 784 CA ASP A 50 0.583 13.066 -3.173 1.00 0.00 C ATOM 785 C ASP A 50 1.622 12.186 -2.484 1.00 0.00 C ATOM 786 O ASP A 50 2.787 12.561 -2.364 1.00 0.00 O ATOM 787 CB ASP A 50 -0.256 13.801 -2.126 1.00 0.00 C ATOM 788 CG ASP A 50 0.452 15.021 -1.571 1.00 0.00 C ATOM 789 OD1 ASP A 50 1.586 14.872 -1.071 1.00 0.00 O ATOM 790 OD2 ASP A 50 -0.130 16.125 -1.635 1.00 0.00 O ATOM 0 H ASP A 50 -1.272 12.359 -3.846 1.00 0.00 H new ATOM 0 HA ASP A 50 1.104 13.799 -3.789 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -1.203 14.105 -2.572 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -0.492 13.119 -1.310 1.00 0.00 H new ATOM 795 N GLY A 51 1.190 11.012 -2.032 1.00 0.00 N ATOM 796 CA GLY A 51 2.094 10.098 -1.359 1.00 0.00 C ATOM 797 C GLY A 51 1.847 10.033 0.135 1.00 0.00 C ATOM 798 O GLY A 51 1.890 8.957 0.733 1.00 0.00 O ATOM 0 H GLY A 51 0.230 10.678 -2.120 1.00 0.00 H new ATOM 0 HA2 GLY A 51 1.983 9.101 -1.786 1.00 0.00 H new ATOM 0 HA3 GLY A 51 3.123 10.410 -1.541 1.00 0.00 H new ATOM 802 N THR A 52 1.590 11.187 0.742 1.00 0.00 N ATOM 803 CA THR A 52 1.339 11.257 2.176 1.00 0.00 C ATOM 804 C THR A 52 0.521 10.061 2.650 1.00 0.00 C ATOM 805 O THR A 52 1.026 9.193 3.361 1.00 0.00 O ATOM 806 CB THR A 52 0.598 12.554 2.553 1.00 0.00 C ATOM 807 OG1 THR A 52 -0.424 12.832 1.590 1.00 0.00 O ATOM 808 CG2 THR A 52 1.563 13.727 2.629 1.00 0.00 C ATOM 0 H THR A 52 1.550 12.086 0.263 1.00 0.00 H new ATOM 0 HA THR A 52 2.311 11.246 2.669 1.00 0.00 H new ATOM 0 HB THR A 52 0.144 12.414 3.534 1.00 0.00 H new ATOM 0 HG1 THR A 52 -0.891 13.657 1.838 1.00 0.00 H new ATOM 0 HG21 THR A 52 1.016 14.631 2.897 1.00 0.00 H new ATOM 0 HG22 THR A 52 2.322 13.525 3.384 1.00 0.00 H new ATOM 0 HG23 THR A 52 2.043 13.867 1.660 1.00 0.00 H new ATOM 816 N VAL A 53 -0.747 10.022 2.251 1.00 0.00 N ATOM 817 CA VAL A 53 -1.635 8.931 2.634 1.00 0.00 C ATOM 818 C VAL A 53 -0.898 7.597 2.634 1.00 0.00 C ATOM 819 O VAL A 53 -0.733 6.966 3.679 1.00 0.00 O ATOM 820 CB VAL A 53 -2.847 8.835 1.687 1.00 0.00 C ATOM 821 CG1 VAL A 53 -3.722 7.648 2.059 1.00 0.00 C ATOM 822 CG2 VAL A 53 -3.647 10.128 1.715 1.00 0.00 C ATOM 0 H VAL A 53 -1.182 10.733 1.663 1.00 0.00 H new ATOM 0 HA VAL A 53 -1.987 9.149 3.642 1.00 0.00 H new ATOM 0 HB VAL A 53 -2.482 8.682 0.671 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -4.573 7.596 1.380 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.140 6.729 1.983 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -4.081 7.767 3.081 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -4.499 10.043 1.041 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -4.003 10.314 2.728 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -3.013 10.955 1.396 1.00 0.00 H new ATOM 832 N LEU A 54 -0.455 7.171 1.456 1.00 0.00 N ATOM 833 CA LEU A 54 0.267 5.911 1.320 1.00 0.00 C ATOM 834 C LEU A 54 1.141 5.649 2.542 1.00 0.00 C ATOM 835 O LEU A 54 1.155 4.542 3.082 1.00 0.00 O ATOM 836 CB LEU A 54 1.129 5.928 0.056 1.00 0.00 C ATOM 837 CG LEU A 54 0.383 5.757 -1.268 1.00 0.00 C ATOM 838 CD1 LEU A 54 1.255 6.196 -2.433 1.00 0.00 C ATOM 839 CD2 LEU A 54 -0.062 4.313 -1.446 1.00 0.00 C ATOM 0 H LEU A 54 -0.583 7.680 0.581 1.00 0.00 H new ATOM 0 HA LEU A 54 -0.466 5.108 1.242 1.00 0.00 H new ATOM 0 HB2 LEU A 54 1.673 6.872 0.024 1.00 0.00 H new ATOM 0 HB3 LEU A 54 1.872 5.135 0.136 1.00 0.00 H new ATOM 0 HG LEU A 54 -0.504 6.390 -1.248 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.707 6.067 -3.366 1.00 0.00 H new ATOM 0 HD12 LEU A 54 1.523 7.246 -2.312 1.00 0.00 H new ATOM 0 HD13 LEU A 54 2.161 5.591 -2.458 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.591 4.209 -2.393 1.00 0.00 H new ATOM 0 HD22 LEU A 54 0.811 3.660 -1.445 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.725 4.033 -0.627 1.00 0.00 H new ATOM 851 N CYS A 55 1.868 6.674 2.974 1.00 0.00 N ATOM 852 CA CYS A 55 2.744 6.555 4.133 1.00 0.00 C ATOM 853 C CYS A 55 1.946 6.199 5.384 1.00 0.00 C ATOM 854 O CYS A 55 2.341 5.326 6.156 1.00 0.00 O ATOM 855 CB CYS A 55 3.510 7.860 4.356 1.00 0.00 C ATOM 856 SG CYS A 55 4.529 8.367 2.951 1.00 0.00 S ATOM 0 H CYS A 55 1.868 7.596 2.539 1.00 0.00 H new ATOM 0 HA CYS A 55 3.456 5.753 3.938 1.00 0.00 H new ATOM 0 HB2 CYS A 55 2.797 8.654 4.579 1.00 0.00 H new ATOM 0 HB3 CYS A 55 4.148 7.749 5.233 1.00 0.00 H new ATOM 0 HG CYS A 55 3.763 8.655 1.941 1.00 0.00 H new ATOM 862 N GLU A 56 0.823 6.883 5.577 1.00 0.00 N ATOM 863 CA GLU A 56 -0.029 6.641 6.735 1.00 0.00 C ATOM 864 C GLU A 56 -0.429 5.170 6.818 1.00 0.00 C ATOM 865 O GLU A 56 -0.624 4.629 7.907 1.00 0.00 O ATOM 866 CB GLU A 56 -1.280 7.518 6.669 1.00 0.00 C ATOM 867 CG GLU A 56 -1.019 8.977 7.003 1.00 0.00 C ATOM 868 CD GLU A 56 -0.316 9.716 5.881 1.00 0.00 C ATOM 869 OE1 GLU A 56 0.915 9.552 5.744 1.00 0.00 O ATOM 870 OE2 GLU A 56 -0.994 10.457 5.140 1.00 0.00 O ATOM 0 H GLU A 56 0.482 7.609 4.947 1.00 0.00 H new ATOM 0 HA GLU A 56 0.538 6.897 7.630 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -1.706 7.454 5.668 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -2.026 7.124 7.359 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -1.966 9.471 7.221 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -0.413 9.036 7.907 1.00 0.00 H new ATOM 877 N LEU A 57 -0.550 4.530 5.660 1.00 0.00 N ATOM 878 CA LEU A 57 -0.927 3.122 5.600 1.00 0.00 C ATOM 879 C LEU A 57 0.194 2.235 6.130 1.00 0.00 C ATOM 880 O LEU A 57 0.068 1.629 7.195 1.00 0.00 O ATOM 881 CB LEU A 57 -1.270 2.727 4.162 1.00 0.00 C ATOM 882 CG LEU A 57 -1.761 1.293 3.960 1.00 0.00 C ATOM 883 CD1 LEU A 57 -2.930 0.994 4.885 1.00 0.00 C ATOM 884 CD2 LEU A 57 -2.155 1.065 2.508 1.00 0.00 C ATOM 0 H LEU A 57 -0.393 4.964 4.750 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.806 2.979 6.229 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -2.037 3.408 3.792 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -0.385 2.877 3.544 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.947 0.612 4.206 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -3.266 -0.031 4.727 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -2.615 1.117 5.921 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.748 1.681 4.671 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -2.502 0.039 2.382 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -2.954 1.755 2.235 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.292 1.237 1.865 1.00 0.00 H new ATOM 896 N ILE A 58 1.290 2.165 5.382 1.00 0.00 N ATOM 897 CA ILE A 58 2.435 1.354 5.779 1.00 0.00 C ATOM 898 C ILE A 58 2.893 1.704 7.191 1.00 0.00 C ATOM 899 O ILE A 58 3.425 0.859 7.909 1.00 0.00 O ATOM 900 CB ILE A 58 3.616 1.534 4.808 1.00 0.00 C ATOM 901 CG1 ILE A 58 4.710 0.506 5.105 1.00 0.00 C ATOM 902 CG2 ILE A 58 4.170 2.948 4.904 1.00 0.00 C ATOM 903 CD1 ILE A 58 4.460 -0.843 4.469 1.00 0.00 C ATOM 0 H ILE A 58 1.409 2.660 4.498 1.00 0.00 H new ATOM 0 HA ILE A 58 2.110 0.314 5.753 1.00 0.00 H new ATOM 0 HB ILE A 58 3.259 1.373 3.791 1.00 0.00 H new ATOM 0 HG12 ILE A 58 5.666 0.893 4.753 1.00 0.00 H new ATOM 0 HG13 ILE A 58 4.795 0.380 6.184 1.00 0.00 H new ATOM 0 HG21 ILE A 58 5.004 3.060 4.212 1.00 0.00 H new ATOM 0 HG22 ILE A 58 3.388 3.663 4.648 1.00 0.00 H new ATOM 0 HG23 ILE A 58 4.515 3.135 5.921 1.00 0.00 H new ATOM 0 HD11 ILE A 58 5.275 -1.521 4.722 1.00 0.00 H new ATOM 0 HD12 ILE A 58 3.520 -1.251 4.840 1.00 0.00 H new ATOM 0 HD13 ILE A 58 4.405 -0.730 3.386 1.00 0.00 H new ATOM 915 N ASN A 59 2.682 2.957 7.582 1.00 0.00 N ATOM 916 CA ASN A 59 3.073 3.419 8.909 1.00 0.00 C ATOM 917 C ASN A 59 2.100 2.914 9.970 1.00 0.00 C ATOM 918 O ASN A 59 2.497 2.601 11.091 1.00 0.00 O ATOM 919 CB ASN A 59 3.131 4.948 8.942 1.00 0.00 C ATOM 920 CG ASN A 59 4.423 5.490 8.360 1.00 0.00 C ATOM 921 OD1 ASN A 59 5.513 5.051 8.726 1.00 0.00 O ATOM 922 ND2 ASN A 59 4.305 6.449 7.450 1.00 0.00 N ATOM 0 H ASN A 59 2.243 3.670 6.999 1.00 0.00 H new ATOM 0 HA ASN A 59 4.063 3.018 9.129 1.00 0.00 H new ATOM 0 HB2 ASN A 59 2.286 5.353 8.385 1.00 0.00 H new ATOM 0 HB3 ASN A 59 3.027 5.291 9.971 1.00 0.00 H new ATOM 0 HD21 ASN A 59 5.139 6.853 7.024 1.00 0.00 H new ATOM 0 HD22 ASN A 59 3.380 6.782 7.177 1.00 0.00 H new ATOM 929 N ALA A 60 0.824 2.836 9.606 1.00 0.00 N ATOM 930 CA ALA A 60 -0.205 2.366 10.525 1.00 0.00 C ATOM 931 C ALA A 60 0.042 0.917 10.931 1.00 0.00 C ATOM 932 O ALA A 60 -0.189 0.536 12.079 1.00 0.00 O ATOM 933 CB ALA A 60 -1.582 2.512 9.894 1.00 0.00 C ATOM 0 H ALA A 60 0.478 3.092 8.681 1.00 0.00 H new ATOM 0 HA ALA A 60 -0.162 2.980 11.425 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.341 2.157 10.591 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.766 3.561 9.660 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -1.627 1.923 8.978 1.00 0.00 H new ATOM 939 N LEU A 61 0.512 0.114 9.983 1.00 0.00 N ATOM 940 CA LEU A 61 0.790 -1.295 10.243 1.00 0.00 C ATOM 941 C LEU A 61 1.931 -1.449 11.243 1.00 0.00 C ATOM 942 O LEU A 61 1.710 -1.796 12.404 1.00 0.00 O ATOM 943 CB LEU A 61 1.140 -2.014 8.939 1.00 0.00 C ATOM 944 CG LEU A 61 0.075 -1.971 7.842 1.00 0.00 C ATOM 945 CD1 LEU A 61 0.705 -2.202 6.477 1.00 0.00 C ATOM 946 CD2 LEU A 61 -1.011 -3.002 8.112 1.00 0.00 C ATOM 0 H LEU A 61 0.709 0.414 9.028 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.106 -1.744 10.670 1.00 0.00 H new ATOM 0 HB2 LEU A 61 2.058 -1.580 8.543 1.00 0.00 H new ATOM 0 HB3 LEU A 61 1.354 -3.058 9.169 1.00 0.00 H new ATOM 0 HG LEU A 61 -0.383 -0.982 7.845 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -0.068 -2.168 5.709 1.00 0.00 H new ATOM 0 HD12 LEU A 61 1.445 -1.426 6.282 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.190 -3.178 6.461 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -1.760 -2.957 7.321 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.569 -3.998 8.137 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -1.483 -2.791 9.071 1.00 0.00 H new ATOM 958 N TYR A 62 3.151 -1.187 10.787 1.00 0.00 N ATOM 959 CA TYR A 62 4.327 -1.297 11.642 1.00 0.00 C ATOM 960 C TYR A 62 4.151 -0.480 12.918 1.00 0.00 C ATOM 961 O TYR A 62 3.574 0.607 12.915 1.00 0.00 O ATOM 962 CB TYR A 62 5.575 -0.829 10.892 1.00 0.00 C ATOM 963 CG TYR A 62 6.147 -1.873 9.959 1.00 0.00 C ATOM 964 CD1 TYR A 62 6.887 -2.941 10.451 1.00 0.00 C ATOM 965 CD2 TYR A 62 5.950 -1.790 8.586 1.00 0.00 C ATOM 966 CE1 TYR A 62 7.413 -3.897 9.603 1.00 0.00 C ATOM 967 CE2 TYR A 62 6.470 -2.741 7.731 1.00 0.00 C ATOM 968 CZ TYR A 62 7.201 -3.792 8.244 1.00 0.00 C ATOM 969 OH TYR A 62 7.723 -4.742 7.395 1.00 0.00 O ATOM 0 H TYR A 62 3.351 -0.897 9.830 1.00 0.00 H new ATOM 0 HA TYR A 62 4.448 -2.345 11.917 1.00 0.00 H new ATOM 0 HB2 TYR A 62 5.330 0.064 10.318 1.00 0.00 H new ATOM 0 HB3 TYR A 62 6.338 -0.543 11.616 1.00 0.00 H new ATOM 0 HD1 TYR A 62 7.054 -3.026 11.515 1.00 0.00 H new ATOM 0 HD2 TYR A 62 5.380 -0.967 8.181 1.00 0.00 H new ATOM 0 HE1 TYR A 62 7.986 -4.721 10.002 1.00 0.00 H new ATOM 0 HE2 TYR A 62 6.305 -2.662 6.667 1.00 0.00 H new ATOM 0 HH TYR A 62 7.482 -4.523 6.471 1.00 0.00 H new ATOM 979 N PRO A 63 4.661 -1.016 14.037 1.00 0.00 N ATOM 980 CA PRO A 63 4.574 -0.353 15.342 1.00 0.00 C ATOM 981 C PRO A 63 5.452 0.891 15.421 1.00 0.00 C ATOM 982 O PRO A 63 6.198 1.194 14.490 1.00 0.00 O ATOM 983 CB PRO A 63 5.074 -1.423 16.317 1.00 0.00 C ATOM 984 CG PRO A 63 5.955 -2.300 15.496 1.00 0.00 C ATOM 985 CD PRO A 63 5.361 -2.308 14.115 1.00 0.00 C ATOM 0 HA PRO A 63 3.564 -0.001 15.554 1.00 0.00 H new ATOM 0 HB2 PRO A 63 5.622 -0.977 17.147 1.00 0.00 H new ATOM 0 HB3 PRO A 63 4.245 -1.985 16.747 1.00 0.00 H new ATOM 0 HG2 PRO A 63 6.977 -1.921 15.479 1.00 0.00 H new ATOM 0 HG3 PRO A 63 5.996 -3.308 15.909 1.00 0.00 H new ATOM 0 HD2 PRO A 63 6.130 -2.395 13.347 1.00 0.00 H new ATOM 0 HD3 PRO A 63 4.676 -3.145 13.977 1.00 0.00 H new ATOM 993 N GLU A 64 5.358 1.607 16.537 1.00 0.00 N ATOM 994 CA GLU A 64 6.144 2.819 16.734 1.00 0.00 C ATOM 995 C GLU A 64 7.626 2.554 16.481 1.00 0.00 C ATOM 996 O GLU A 64 8.184 1.571 16.967 1.00 0.00 O ATOM 997 CB GLU A 64 5.947 3.356 18.153 1.00 0.00 C ATOM 998 CG GLU A 64 6.120 2.301 19.233 1.00 0.00 C ATOM 999 CD GLU A 64 5.719 2.801 20.607 1.00 0.00 C ATOM 1000 OE1 GLU A 64 4.520 2.713 20.943 1.00 0.00 O ATOM 1001 OE2 GLU A 64 6.604 3.280 21.346 1.00 0.00 O ATOM 0 H GLU A 64 4.746 1.369 17.318 1.00 0.00 H new ATOM 0 HA GLU A 64 5.798 3.565 16.019 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.658 4.164 18.329 1.00 0.00 H new ATOM 0 HB3 GLU A 64 4.949 3.787 18.234 1.00 0.00 H new ATOM 0 HG2 GLU A 64 5.521 1.426 18.980 1.00 0.00 H new ATOM 0 HG3 GLU A 64 7.161 1.979 19.257 1.00 0.00 H new ATOM 1008 N GLY A 65 8.257 3.438 15.715 1.00 0.00 N ATOM 1009 CA GLY A 65 9.667 3.282 15.408 1.00 0.00 C ATOM 1010 C GLY A 65 9.907 2.336 14.249 1.00 0.00 C ATOM 1011 O GLY A 65 10.727 2.612 13.375 1.00 0.00 O ATOM 0 H GLY A 65 7.817 4.260 15.301 1.00 0.00 H new ATOM 0 HA2 GLY A 65 10.094 4.257 15.172 1.00 0.00 H new ATOM 0 HA3 GLY A 65 10.189 2.911 16.290 1.00 0.00 H new ATOM 1015 N GLN A 66 9.192 1.216 14.244 1.00 0.00 N ATOM 1016 CA GLN A 66 9.334 0.224 13.184 1.00 0.00 C ATOM 1017 C GLN A 66 8.921 0.805 11.836 1.00 0.00 C ATOM 1018 O GLN A 66 9.484 0.454 10.799 1.00 0.00 O ATOM 1019 CB GLN A 66 8.491 -1.014 13.499 1.00 0.00 C ATOM 1020 CG GLN A 66 9.198 -2.019 14.394 1.00 0.00 C ATOM 1021 CD GLN A 66 8.664 -3.427 14.225 1.00 0.00 C ATOM 1022 OE1 GLN A 66 8.533 -3.923 13.105 1.00 0.00 O ATOM 1023 NE2 GLN A 66 8.353 -4.081 15.338 1.00 0.00 N ATOM 0 H GLN A 66 8.509 0.972 14.961 1.00 0.00 H new ATOM 0 HA GLN A 66 10.384 -0.064 13.129 1.00 0.00 H new ATOM 0 HB2 GLN A 66 7.565 -0.700 13.980 1.00 0.00 H new ATOM 0 HB3 GLN A 66 8.215 -1.503 12.565 1.00 0.00 H new ATOM 0 HG2 GLN A 66 10.265 -2.010 14.172 1.00 0.00 H new ATOM 0 HG3 GLN A 66 9.086 -1.715 15.435 1.00 0.00 H new ATOM 0 HE21 GLN A 66 8.477 -3.632 16.245 1.00 0.00 H new ATOM 0 HE22 GLN A 66 7.990 -5.033 15.286 1.00 0.00 H new ATOM 1032 N ALA A 67 7.935 1.696 11.858 1.00 0.00 N ATOM 1033 CA ALA A 67 7.448 2.326 10.637 1.00 0.00 C ATOM 1034 C ALA A 67 8.603 2.708 9.718 1.00 0.00 C ATOM 1035 O ALA A 67 9.578 3.335 10.133 1.00 0.00 O ATOM 1036 CB ALA A 67 6.612 3.553 10.974 1.00 0.00 C ATOM 0 H ALA A 67 7.458 1.998 12.708 1.00 0.00 H new ATOM 0 HA ALA A 67 6.822 1.606 10.111 1.00 0.00 H new ATOM 0 HB1 ALA A 67 6.255 4.014 10.053 1.00 0.00 H new ATOM 0 HB2 ALA A 67 5.760 3.256 11.586 1.00 0.00 H new ATOM 0 HB3 ALA A 67 7.222 4.269 11.525 1.00 0.00 H new ATOM 1042 N PRO A 68 8.495 2.320 8.438 1.00 0.00 N ATOM 1043 CA PRO A 68 9.522 2.611 7.434 1.00 0.00 C ATOM 1044 C PRO A 68 9.586 4.093 7.082 1.00 0.00 C ATOM 1045 O PRO A 68 10.666 4.645 6.871 1.00 0.00 O ATOM 1046 CB PRO A 68 9.073 1.792 6.221 1.00 0.00 C ATOM 1047 CG PRO A 68 7.601 1.639 6.391 1.00 0.00 C ATOM 1048 CD PRO A 68 7.360 1.570 7.874 1.00 0.00 C ATOM 0 HA PRO A 68 10.522 2.361 7.789 1.00 0.00 H new ATOM 0 HB2 PRO A 68 9.313 2.302 5.288 1.00 0.00 H new ATOM 0 HB3 PRO A 68 9.571 0.823 6.191 1.00 0.00 H new ATOM 0 HG2 PRO A 68 7.068 2.480 5.948 1.00 0.00 H new ATOM 0 HG3 PRO A 68 7.243 0.737 5.895 1.00 0.00 H new ATOM 0 HD2 PRO A 68 6.405 2.019 8.148 1.00 0.00 H new ATOM 0 HD3 PRO A 68 7.341 0.540 8.231 1.00 0.00 H new ATOM 1056 N VAL A 69 8.422 4.733 7.020 1.00 0.00 N ATOM 1057 CA VAL A 69 8.347 6.152 6.696 1.00 0.00 C ATOM 1058 C VAL A 69 7.999 6.980 7.928 1.00 0.00 C ATOM 1059 O VAL A 69 6.829 7.131 8.278 1.00 0.00 O ATOM 1060 CB VAL A 69 7.301 6.422 5.598 1.00 0.00 C ATOM 1061 CG1 VAL A 69 7.053 7.915 5.451 1.00 0.00 C ATOM 1062 CG2 VAL A 69 7.747 5.815 4.276 1.00 0.00 C ATOM 0 H VAL A 69 7.519 4.291 7.190 1.00 0.00 H new ATOM 0 HA VAL A 69 9.331 6.446 6.331 1.00 0.00 H new ATOM 0 HB VAL A 69 6.363 5.950 5.891 1.00 0.00 H new ATOM 0 HG11 VAL A 69 6.311 8.086 4.671 1.00 0.00 H new ATOM 0 HG12 VAL A 69 6.686 8.318 6.395 1.00 0.00 H new ATOM 0 HG13 VAL A 69 7.984 8.414 5.182 1.00 0.00 H new ATOM 0 HG21 VAL A 69 6.996 6.015 3.512 1.00 0.00 H new ATOM 0 HG22 VAL A 69 8.697 6.256 3.975 1.00 0.00 H new ATOM 0 HG23 VAL A 69 7.868 4.738 4.392 1.00 0.00 H new ATOM 1072 N LYS A 70 9.024 7.516 8.582 1.00 0.00 N ATOM 1073 CA LYS A 70 8.829 8.331 9.775 1.00 0.00 C ATOM 1074 C LYS A 70 8.402 9.747 9.403 1.00 0.00 C ATOM 1075 O LYS A 70 7.451 10.289 9.967 1.00 0.00 O ATOM 1076 CB LYS A 70 10.115 8.376 10.603 1.00 0.00 C ATOM 1077 CG LYS A 70 10.482 7.042 11.230 1.00 0.00 C ATOM 1078 CD LYS A 70 11.233 7.229 12.538 1.00 0.00 C ATOM 1079 CE LYS A 70 11.642 5.894 13.141 1.00 0.00 C ATOM 1080 NZ LYS A 70 12.283 6.061 14.475 1.00 0.00 N ATOM 0 H LYS A 70 9.999 7.400 8.306 1.00 0.00 H new ATOM 0 HA LYS A 70 8.037 7.876 10.370 1.00 0.00 H new ATOM 0 HB2 LYS A 70 10.936 8.707 9.966 1.00 0.00 H new ATOM 0 HB3 LYS A 70 10.004 9.120 11.392 1.00 0.00 H new ATOM 0 HG2 LYS A 70 9.577 6.462 11.409 1.00 0.00 H new ATOM 0 HG3 LYS A 70 11.096 6.469 10.535 1.00 0.00 H new ATOM 0 HD2 LYS A 70 12.120 7.839 12.366 1.00 0.00 H new ATOM 0 HD3 LYS A 70 10.605 7.772 13.245 1.00 0.00 H new ATOM 0 HE2 LYS A 70 10.764 5.255 13.237 1.00 0.00 H new ATOM 0 HE3 LYS A 70 12.333 5.387 12.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 12.547 5.129 14.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 13.135 6.650 14.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 11.615 6.521 15.126 1.00 0.00 H new ATOM 1094 N LYS A 71 9.109 10.342 8.448 1.00 0.00 N ATOM 1095 CA LYS A 71 8.802 11.694 7.998 1.00 0.00 C ATOM 1096 C LYS A 71 7.630 11.689 7.021 1.00 0.00 C ATOM 1097 O LYS A 71 7.684 11.041 5.976 1.00 0.00 O ATOM 1098 CB LYS A 71 10.029 12.324 7.334 1.00 0.00 C ATOM 1099 CG LYS A 71 11.085 12.788 8.324 1.00 0.00 C ATOM 1100 CD LYS A 71 11.826 11.613 8.940 1.00 0.00 C ATOM 1101 CE LYS A 71 12.840 12.075 9.975 1.00 0.00 C ATOM 1102 NZ LYS A 71 13.678 10.949 10.471 1.00 0.00 N ATOM 0 H LYS A 71 9.899 9.908 7.971 1.00 0.00 H new ATOM 0 HA LYS A 71 8.524 12.286 8.870 1.00 0.00 H new ATOM 0 HB2 LYS A 71 10.475 11.600 6.652 1.00 0.00 H new ATOM 0 HB3 LYS A 71 9.709 13.174 6.731 1.00 0.00 H new ATOM 0 HG2 LYS A 71 11.795 13.443 7.820 1.00 0.00 H new ATOM 0 HG3 LYS A 71 10.613 13.375 9.112 1.00 0.00 H new ATOM 0 HD2 LYS A 71 11.111 10.935 9.406 1.00 0.00 H new ATOM 0 HD3 LYS A 71 12.334 11.051 8.157 1.00 0.00 H new ATOM 0 HE2 LYS A 71 13.482 12.840 9.538 1.00 0.00 H new ATOM 0 HE3 LYS A 71 12.319 12.537 10.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 14.356 11.305 11.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 13.068 10.230 10.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 14.195 10.525 9.675 1.00 0.00 H new ATOM 1116 N ILE A 72 6.574 12.416 7.369 1.00 0.00 N ATOM 1117 CA ILE A 72 5.391 12.497 6.522 1.00 0.00 C ATOM 1118 C ILE A 72 4.917 13.939 6.375 1.00 0.00 C ATOM 1119 O ILE A 72 4.253 14.477 7.260 1.00 0.00 O ATOM 1120 CB ILE A 72 4.237 11.645 7.082 1.00 0.00 C ATOM 1121 CG1 ILE A 72 4.720 10.222 7.373 1.00 0.00 C ATOM 1122 CG2 ILE A 72 3.070 11.625 6.107 1.00 0.00 C ATOM 1123 CD1 ILE A 72 3.688 9.364 8.070 1.00 0.00 C ATOM 0 H ILE A 72 6.514 12.957 8.231 1.00 0.00 H new ATOM 0 HA ILE A 72 5.677 12.109 5.544 1.00 0.00 H new ATOM 0 HB ILE A 72 3.896 12.092 8.016 1.00 0.00 H new ATOM 0 HG12 ILE A 72 5.004 9.745 6.435 1.00 0.00 H new ATOM 0 HG13 ILE A 72 5.617 10.271 7.990 1.00 0.00 H new ATOM 0 HG21 ILE A 72 2.263 11.019 6.518 1.00 0.00 H new ATOM 0 HG22 ILE A 72 2.713 12.642 5.945 1.00 0.00 H new ATOM 0 HG23 ILE A 72 3.396 11.200 5.158 1.00 0.00 H new ATOM 0 HD11 ILE A 72 4.099 8.370 8.244 1.00 0.00 H new ATOM 0 HD12 ILE A 72 3.421 9.819 9.024 1.00 0.00 H new ATOM 0 HD13 ILE A 72 2.799 9.284 7.445 1.00 0.00 H new ATOM 1135 N GLN A 73 5.262 14.558 5.250 1.00 0.00 N ATOM 1136 CA GLN A 73 4.871 15.938 4.988 1.00 0.00 C ATOM 1137 C GLN A 73 4.318 16.087 3.574 1.00 0.00 C ATOM 1138 O GLN A 73 4.947 15.666 2.604 1.00 0.00 O ATOM 1139 CB GLN A 73 6.064 16.875 5.183 1.00 0.00 C ATOM 1140 CG GLN A 73 5.692 18.349 5.151 1.00 0.00 C ATOM 1141 CD GLN A 73 6.810 19.243 5.649 1.00 0.00 C ATOM 1142 OE1 GLN A 73 7.308 19.072 6.762 1.00 0.00 O ATOM 1143 NE2 GLN A 73 7.210 20.206 4.827 1.00 0.00 N ATOM 0 H GLN A 73 5.811 14.126 4.507 1.00 0.00 H new ATOM 0 HA GLN A 73 4.087 16.208 5.696 1.00 0.00 H new ATOM 0 HB2 GLN A 73 6.540 16.650 6.137 1.00 0.00 H new ATOM 0 HB3 GLN A 73 6.801 16.678 4.405 1.00 0.00 H new ATOM 0 HG2 GLN A 73 5.432 18.632 4.131 1.00 0.00 H new ATOM 0 HG3 GLN A 73 4.804 18.509 5.762 1.00 0.00 H new ATOM 0 HE21 GLN A 73 6.770 20.312 3.913 1.00 0.00 H new ATOM 0 HE22 GLN A 73 7.958 20.840 5.109 1.00 0.00 H new ATOM 1152 N ALA A 74 3.138 16.689 3.466 1.00 0.00 N ATOM 1153 CA ALA A 74 2.502 16.895 2.171 1.00 0.00 C ATOM 1154 C ALA A 74 3.146 18.056 1.421 1.00 0.00 C ATOM 1155 O ALA A 74 2.702 19.199 1.526 1.00 0.00 O ATOM 1156 CB ALA A 74 1.011 17.143 2.348 1.00 0.00 C ATOM 0 H ALA A 74 2.604 17.042 4.260 1.00 0.00 H new ATOM 0 HA ALA A 74 2.642 15.991 1.579 1.00 0.00 H new ATOM 0 HB1 ALA A 74 0.549 17.295 1.372 1.00 0.00 H new ATOM 0 HB2 ALA A 74 0.554 16.282 2.835 1.00 0.00 H new ATOM 0 HB3 ALA A 74 0.860 18.030 2.963 1.00 0.00 H new ATOM 1162 N SER A 75 4.197 17.755 0.664 1.00 0.00 N ATOM 1163 CA SER A 75 4.906 18.774 -0.100 1.00 0.00 C ATOM 1164 C SER A 75 4.285 18.947 -1.483 1.00 0.00 C ATOM 1165 O SER A 75 4.521 18.146 -2.388 1.00 0.00 O ATOM 1166 CB SER A 75 6.384 18.405 -0.235 1.00 0.00 C ATOM 1167 OG SER A 75 7.027 18.404 1.028 1.00 0.00 O ATOM 0 H SER A 75 4.576 16.813 0.564 1.00 0.00 H new ATOM 0 HA SER A 75 4.823 19.719 0.437 1.00 0.00 H new ATOM 0 HB2 SER A 75 6.476 17.421 -0.694 1.00 0.00 H new ATOM 0 HB3 SER A 75 6.880 19.114 -0.898 1.00 0.00 H new ATOM 0 HG SER A 75 7.958 18.117 0.921 1.00 0.00 H new ATOM 1173 N THR A 76 3.488 20.000 -1.640 1.00 0.00 N ATOM 1174 CA THR A 76 2.831 20.279 -2.910 1.00 0.00 C ATOM 1175 C THR A 76 3.774 20.033 -4.082 1.00 0.00 C ATOM 1176 O THR A 76 3.346 19.618 -5.159 1.00 0.00 O ATOM 1177 CB THR A 76 2.321 21.731 -2.972 1.00 0.00 C ATOM 1178 OG1 THR A 76 1.421 21.980 -1.887 1.00 0.00 O ATOM 1179 CG2 THR A 76 1.617 22.001 -4.293 1.00 0.00 C ATOM 0 H THR A 76 3.282 20.674 -0.902 1.00 0.00 H new ATOM 0 HA THR A 76 1.981 19.600 -2.982 1.00 0.00 H new ATOM 0 HB THR A 76 3.179 22.398 -2.893 1.00 0.00 H new ATOM 0 HG1 THR A 76 1.102 22.906 -1.932 1.00 0.00 H new ATOM 0 HG21 THR A 76 1.265 23.033 -4.314 1.00 0.00 H new ATOM 0 HG22 THR A 76 2.313 21.838 -5.116 1.00 0.00 H new ATOM 0 HG23 THR A 76 0.767 21.326 -4.397 1.00 0.00 H new ATOM 1187 N MET A 77 5.060 20.292 -3.866 1.00 0.00 N ATOM 1188 CA MET A 77 6.064 20.096 -4.905 1.00 0.00 C ATOM 1189 C MET A 77 5.790 18.819 -5.693 1.00 0.00 C ATOM 1190 O MET A 77 5.542 17.762 -5.113 1.00 0.00 O ATOM 1191 CB MET A 77 7.463 20.039 -4.288 1.00 0.00 C ATOM 1192 CG MET A 77 7.992 21.396 -3.855 1.00 0.00 C ATOM 1193 SD MET A 77 8.453 22.440 -5.252 1.00 0.00 S ATOM 1194 CE MET A 77 7.779 24.016 -4.734 1.00 0.00 C ATOM 0 H MET A 77 5.431 20.638 -2.981 1.00 0.00 H new ATOM 0 HA MET A 77 6.011 20.942 -5.590 1.00 0.00 H new ATOM 0 HB2 MET A 77 7.444 19.374 -3.425 1.00 0.00 H new ATOM 0 HB3 MET A 77 8.153 19.603 -5.011 1.00 0.00 H new ATOM 0 HG2 MET A 77 7.233 21.905 -3.261 1.00 0.00 H new ATOM 0 HG3 MET A 77 8.859 21.255 -3.210 1.00 0.00 H new ATOM 0 HE1 MET A 77 7.984 24.768 -5.496 1.00 0.00 H new ATOM 0 HE2 MET A 77 6.702 23.923 -4.596 1.00 0.00 H new ATOM 0 HE3 MET A 77 8.240 24.318 -3.794 1.00 0.00 H new ATOM 1204 N ALA A 78 5.836 18.924 -7.017 1.00 0.00 N ATOM 1205 CA ALA A 78 5.594 17.777 -7.883 1.00 0.00 C ATOM 1206 C ALA A 78 6.719 16.754 -7.766 1.00 0.00 C ATOM 1207 O ALA A 78 6.491 15.550 -7.884 1.00 0.00 O ATOM 1208 CB ALA A 78 5.438 18.230 -9.327 1.00 0.00 C ATOM 0 H ALA A 78 6.039 19.792 -7.513 1.00 0.00 H new ATOM 0 HA ALA A 78 4.669 17.299 -7.562 1.00 0.00 H new ATOM 0 HB1 ALA A 78 5.258 17.363 -9.963 1.00 0.00 H new ATOM 0 HB2 ALA A 78 4.596 18.918 -9.404 1.00 0.00 H new ATOM 0 HB3 ALA A 78 6.349 18.734 -9.651 1.00 0.00 H new ATOM 1214 N PHE A 79 7.934 17.241 -7.533 1.00 0.00 N ATOM 1215 CA PHE A 79 9.095 16.368 -7.402 1.00 0.00 C ATOM 1216 C PHE A 79 9.079 15.640 -6.061 1.00 0.00 C ATOM 1217 O PHE A 79 9.463 14.474 -5.970 1.00 0.00 O ATOM 1218 CB PHE A 79 10.386 17.178 -7.540 1.00 0.00 C ATOM 1219 CG PHE A 79 11.555 16.569 -6.820 1.00 0.00 C ATOM 1220 CD1 PHE A 79 12.155 15.415 -7.296 1.00 0.00 C ATOM 1221 CD2 PHE A 79 12.053 17.152 -5.665 1.00 0.00 C ATOM 1222 CE1 PHE A 79 13.232 14.853 -6.636 1.00 0.00 C ATOM 1223 CE2 PHE A 79 13.129 16.594 -5.001 1.00 0.00 C ATOM 1224 CZ PHE A 79 13.718 15.443 -5.486 1.00 0.00 C ATOM 0 H PHE A 79 8.140 18.235 -7.431 1.00 0.00 H new ATOM 0 HA PHE A 79 9.053 15.626 -8.199 1.00 0.00 H new ATOM 0 HB2 PHE A 79 10.632 17.277 -8.597 1.00 0.00 H new ATOM 0 HB3 PHE A 79 10.217 18.184 -7.156 1.00 0.00 H new ATOM 0 HD1 PHE A 79 11.777 14.948 -8.194 1.00 0.00 H new ATOM 0 HD2 PHE A 79 11.595 18.051 -5.280 1.00 0.00 H new ATOM 0 HE1 PHE A 79 13.692 13.954 -7.019 1.00 0.00 H new ATOM 0 HE2 PHE A 79 13.509 17.058 -4.103 1.00 0.00 H new ATOM 0 HZ PHE A 79 14.558 15.005 -4.967 1.00 0.00 H new ATOM 1234 N LYS A 80 8.633 16.337 -5.021 1.00 0.00 N ATOM 1235 CA LYS A 80 8.565 15.759 -3.684 1.00 0.00 C ATOM 1236 C LYS A 80 7.532 14.638 -3.628 1.00 0.00 C ATOM 1237 O LYS A 80 7.860 13.496 -3.308 1.00 0.00 O ATOM 1238 CB LYS A 80 8.219 16.839 -2.657 1.00 0.00 C ATOM 1239 CG LYS A 80 9.301 17.893 -2.494 1.00 0.00 C ATOM 1240 CD LYS A 80 10.455 17.381 -1.649 1.00 0.00 C ATOM 1241 CE LYS A 80 11.209 18.523 -0.985 1.00 0.00 C ATOM 1242 NZ LYS A 80 10.328 19.323 -0.090 1.00 0.00 N ATOM 0 H LYS A 80 8.313 17.304 -5.079 1.00 0.00 H new ATOM 0 HA LYS A 80 9.543 15.340 -3.446 1.00 0.00 H new ATOM 0 HB2 LYS A 80 7.290 17.327 -2.954 1.00 0.00 H new ATOM 0 HB3 LYS A 80 8.036 16.366 -1.692 1.00 0.00 H new ATOM 0 HG2 LYS A 80 9.671 18.190 -3.475 1.00 0.00 H new ATOM 0 HG3 LYS A 80 8.876 18.783 -2.030 1.00 0.00 H new ATOM 0 HD2 LYS A 80 10.075 16.702 -0.886 1.00 0.00 H new ATOM 0 HD3 LYS A 80 11.139 16.807 -2.274 1.00 0.00 H new ATOM 0 HE2 LYS A 80 12.043 18.121 -0.409 1.00 0.00 H new ATOM 0 HE3 LYS A 80 11.634 19.172 -1.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 10.395 20.329 -0.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 9.344 19.004 -0.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 10.629 19.196 0.897 1.00 0.00 H new ATOM 1256 N GLN A 81 6.285 14.973 -3.941 1.00 0.00 N ATOM 1257 CA GLN A 81 5.205 13.993 -3.926 1.00 0.00 C ATOM 1258 C GLN A 81 5.661 12.671 -4.533 1.00 0.00 C ATOM 1259 O GLN A 81 5.711 11.648 -3.851 1.00 0.00 O ATOM 1260 CB GLN A 81 3.992 14.528 -4.690 1.00 0.00 C ATOM 1261 CG GLN A 81 3.391 15.782 -4.077 1.00 0.00 C ATOM 1262 CD GLN A 81 2.330 16.412 -4.958 1.00 0.00 C ATOM 1263 OE1 GLN A 81 2.587 16.747 -6.115 1.00 0.00 O ATOM 1264 NE2 GLN A 81 1.130 16.577 -4.415 1.00 0.00 N ATOM 0 H GLN A 81 5.997 15.914 -4.208 1.00 0.00 H new ATOM 0 HA GLN A 81 4.923 13.816 -2.888 1.00 0.00 H new ATOM 0 HB2 GLN A 81 4.286 14.741 -5.718 1.00 0.00 H new ATOM 0 HB3 GLN A 81 3.228 13.752 -4.731 1.00 0.00 H new ATOM 0 HG2 GLN A 81 2.954 15.535 -3.109 1.00 0.00 H new ATOM 0 HG3 GLN A 81 4.183 16.508 -3.894 1.00 0.00 H new ATOM 0 HE21 GLN A 81 0.961 16.285 -3.452 1.00 0.00 H new ATOM 0 HE22 GLN A 81 0.377 16.996 -4.960 1.00 0.00 H new ATOM 1273 N MET A 82 5.993 12.699 -5.820 1.00 0.00 N ATOM 1274 CA MET A 82 6.446 11.502 -6.519 1.00 0.00 C ATOM 1275 C MET A 82 7.357 10.665 -5.628 1.00 0.00 C ATOM 1276 O MET A 82 7.068 9.502 -5.347 1.00 0.00 O ATOM 1277 CB MET A 82 7.180 11.884 -7.805 1.00 0.00 C ATOM 1278 CG MET A 82 6.252 12.164 -8.975 1.00 0.00 C ATOM 1279 SD MET A 82 7.137 12.352 -10.535 1.00 0.00 S ATOM 1280 CE MET A 82 7.154 14.135 -10.702 1.00 0.00 C ATOM 0 H MET A 82 5.957 13.538 -6.400 1.00 0.00 H new ATOM 0 HA MET A 82 5.570 10.906 -6.774 1.00 0.00 H new ATOM 0 HB2 MET A 82 7.790 12.767 -7.616 1.00 0.00 H new ATOM 0 HB3 MET A 82 7.862 11.078 -8.077 1.00 0.00 H new ATOM 0 HG2 MET A 82 5.533 11.350 -9.066 1.00 0.00 H new ATOM 0 HG3 MET A 82 5.683 13.071 -8.773 1.00 0.00 H new ATOM 0 HE1 MET A 82 6.889 14.407 -11.724 1.00 0.00 H new ATOM 0 HE2 MET A 82 6.433 14.572 -10.011 1.00 0.00 H new ATOM 0 HE3 MET A 82 8.151 14.512 -10.473 1.00 0.00 H new ATOM 1290 N GLU A 83 8.459 11.264 -5.187 1.00 0.00 N ATOM 1291 CA GLU A 83 9.413 10.571 -4.329 1.00 0.00 C ATOM 1292 C GLU A 83 8.730 10.042 -3.071 1.00 0.00 C ATOM 1293 O GLU A 83 9.063 8.965 -2.578 1.00 0.00 O ATOM 1294 CB GLU A 83 10.560 11.508 -3.943 1.00 0.00 C ATOM 1295 CG GLU A 83 11.515 10.913 -2.921 1.00 0.00 C ATOM 1296 CD GLU A 83 12.494 9.934 -3.539 1.00 0.00 C ATOM 1297 OE1 GLU A 83 12.985 10.210 -4.654 1.00 0.00 O ATOM 1298 OE2 GLU A 83 12.770 8.893 -2.908 1.00 0.00 O ATOM 0 H GLU A 83 8.713 12.227 -5.409 1.00 0.00 H new ATOM 0 HA GLU A 83 9.815 9.725 -4.886 1.00 0.00 H new ATOM 0 HB2 GLU A 83 11.120 11.772 -4.840 1.00 0.00 H new ATOM 0 HB3 GLU A 83 10.144 12.433 -3.543 1.00 0.00 H new ATOM 0 HG2 GLU A 83 12.068 11.717 -2.435 1.00 0.00 H new ATOM 0 HG3 GLU A 83 10.941 10.406 -2.145 1.00 0.00 H new ATOM 1305 N GLN A 84 7.772 10.809 -2.558 1.00 0.00 N ATOM 1306 CA GLN A 84 7.043 10.418 -1.358 1.00 0.00 C ATOM 1307 C GLN A 84 6.374 9.060 -1.546 1.00 0.00 C ATOM 1308 O GLN A 84 6.203 8.304 -0.589 1.00 0.00 O ATOM 1309 CB GLN A 84 5.993 11.473 -1.008 1.00 0.00 C ATOM 1310 CG GLN A 84 5.401 11.305 0.382 1.00 0.00 C ATOM 1311 CD GLN A 84 4.975 12.623 0.999 1.00 0.00 C ATOM 1312 OE1 GLN A 84 4.036 13.266 0.529 1.00 0.00 O ATOM 1313 NE2 GLN A 84 5.664 13.032 2.057 1.00 0.00 N ATOM 0 H GLN A 84 7.484 11.703 -2.955 1.00 0.00 H new ATOM 0 HA GLN A 84 7.757 10.340 -0.538 1.00 0.00 H new ATOM 0 HB2 GLN A 84 6.445 12.462 -1.084 1.00 0.00 H new ATOM 0 HB3 GLN A 84 5.190 11.432 -1.743 1.00 0.00 H new ATOM 0 HG2 GLN A 84 4.540 10.639 0.328 1.00 0.00 H new ATOM 0 HG3 GLN A 84 6.135 10.826 1.030 1.00 0.00 H new ATOM 0 HE21 GLN A 84 6.435 12.467 2.413 1.00 0.00 H new ATOM 0 HE22 GLN A 84 5.422 13.911 2.514 1.00 0.00 H new ATOM 1322 N ILE A 85 5.996 8.758 -2.783 1.00 0.00 N ATOM 1323 CA ILE A 85 5.346 7.491 -3.095 1.00 0.00 C ATOM 1324 C ILE A 85 6.325 6.328 -2.979 1.00 0.00 C ATOM 1325 O ILE A 85 5.989 5.271 -2.444 1.00 0.00 O ATOM 1326 CB ILE A 85 4.745 7.501 -4.513 1.00 0.00 C ATOM 1327 CG1 ILE A 85 3.704 8.615 -4.642 1.00 0.00 C ATOM 1328 CG2 ILE A 85 4.125 6.150 -4.835 1.00 0.00 C ATOM 1329 CD1 ILE A 85 3.333 8.933 -6.073 1.00 0.00 C ATOM 0 H ILE A 85 6.129 9.373 -3.586 1.00 0.00 H new ATOM 0 HA ILE A 85 4.543 7.361 -2.369 1.00 0.00 H new ATOM 0 HB ILE A 85 5.545 7.692 -5.229 1.00 0.00 H new ATOM 0 HG12 ILE A 85 2.805 8.326 -4.098 1.00 0.00 H new ATOM 0 HG13 ILE A 85 4.088 9.517 -4.166 1.00 0.00 H new ATOM 0 HG21 ILE A 85 3.705 6.173 -5.840 1.00 0.00 H new ATOM 0 HG22 ILE A 85 4.890 5.376 -4.779 1.00 0.00 H new ATOM 0 HG23 ILE A 85 3.335 5.932 -4.116 1.00 0.00 H new ATOM 0 HD11 ILE A 85 2.591 9.731 -6.088 1.00 0.00 H new ATOM 0 HD12 ILE A 85 4.222 9.253 -6.617 1.00 0.00 H new ATOM 0 HD13 ILE A 85 2.918 8.044 -6.548 1.00 0.00 H new ATOM 1341 N SER A 86 7.539 6.530 -3.480 1.00 0.00 N ATOM 1342 CA SER A 86 8.568 5.497 -3.434 1.00 0.00 C ATOM 1343 C SER A 86 8.865 5.090 -1.994 1.00 0.00 C ATOM 1344 O SER A 86 9.060 3.911 -1.700 1.00 0.00 O ATOM 1345 CB SER A 86 9.848 5.992 -4.111 1.00 0.00 C ATOM 1346 OG SER A 86 10.934 5.123 -3.843 1.00 0.00 O ATOM 0 H SER A 86 7.835 7.400 -3.923 1.00 0.00 H new ATOM 0 HA SER A 86 8.196 4.624 -3.970 1.00 0.00 H new ATOM 0 HB2 SER A 86 9.691 6.062 -5.187 1.00 0.00 H new ATOM 0 HB3 SER A 86 10.085 6.996 -3.758 1.00 0.00 H new ATOM 0 HG SER A 86 11.740 5.460 -4.288 1.00 0.00 H new ATOM 1352 N GLN A 87 8.897 6.075 -1.102 1.00 0.00 N ATOM 1353 CA GLN A 87 9.171 5.820 0.307 1.00 0.00 C ATOM 1354 C GLN A 87 8.344 4.645 0.818 1.00 0.00 C ATOM 1355 O GLN A 87 8.807 3.860 1.646 1.00 0.00 O ATOM 1356 CB GLN A 87 8.874 7.068 1.140 1.00 0.00 C ATOM 1357 CG GLN A 87 9.872 8.195 0.924 1.00 0.00 C ATOM 1358 CD GLN A 87 9.789 9.261 1.999 1.00 0.00 C ATOM 1359 OE1 GLN A 87 9.417 10.473 1.603 1.00 0.00 O flip ATOM 1360 NE2 GLN A 87 10.057 8.999 3.172 1.00 0.00 N flip ATOM 0 H GLN A 87 8.737 7.056 -1.330 1.00 0.00 H new ATOM 0 HA GLN A 87 10.227 5.568 0.406 1.00 0.00 H new ATOM 0 HB2 GLN A 87 7.874 7.428 0.897 1.00 0.00 H new ATOM 0 HB3 GLN A 87 8.867 6.797 2.196 1.00 0.00 H new ATOM 0 HG2 GLN A 87 10.881 7.783 0.903 1.00 0.00 H new ATOM 0 HG3 GLN A 87 9.694 8.651 -0.050 1.00 0.00 H new ATOM 0 HE21 GLN A 87 10.339 8.054 3.432 1.00 0.00 H new ATOM 0 HE22 GLN A 87 9.997 9.727 3.884 1.00 0.00 H new ATOM 1369 N PHE A 88 7.117 4.530 0.321 1.00 0.00 N ATOM 1370 CA PHE A 88 6.224 3.452 0.728 1.00 0.00 C ATOM 1371 C PHE A 88 6.572 2.155 0.003 1.00 0.00 C ATOM 1372 O PHE A 88 6.823 1.126 0.632 1.00 0.00 O ATOM 1373 CB PHE A 88 4.769 3.832 0.447 1.00 0.00 C ATOM 1374 CG PHE A 88 3.856 2.647 0.312 1.00 0.00 C ATOM 1375 CD1 PHE A 88 3.803 1.679 1.302 1.00 0.00 C ATOM 1376 CD2 PHE A 88 3.049 2.501 -0.806 1.00 0.00 C ATOM 1377 CE1 PHE A 88 2.964 0.588 1.180 1.00 0.00 C ATOM 1378 CE2 PHE A 88 2.208 1.412 -0.933 1.00 0.00 C ATOM 1379 CZ PHE A 88 2.164 0.455 0.061 1.00 0.00 C ATOM 0 H PHE A 88 6.718 5.171 -0.365 1.00 0.00 H new ATOM 0 HA PHE A 88 6.350 3.294 1.799 1.00 0.00 H new ATOM 0 HB2 PHE A 88 4.406 4.470 1.253 1.00 0.00 H new ATOM 0 HB3 PHE A 88 4.726 4.420 -0.470 1.00 0.00 H new ATOM 0 HD1 PHE A 88 4.425 1.778 2.179 1.00 0.00 H new ATOM 0 HD2 PHE A 88 3.078 3.247 -1.586 1.00 0.00 H new ATOM 0 HE1 PHE A 88 2.933 -0.160 1.958 1.00 0.00 H new ATOM 0 HE2 PHE A 88 1.585 1.310 -1.809 1.00 0.00 H new ATOM 0 HZ PHE A 88 1.506 -0.396 -0.036 1.00 0.00 H new ATOM 1389 N LEU A 89 6.585 2.211 -1.324 1.00 0.00 N ATOM 1390 CA LEU A 89 6.901 1.042 -2.137 1.00 0.00 C ATOM 1391 C LEU A 89 8.164 0.353 -1.631 1.00 0.00 C ATOM 1392 O LEU A 89 8.175 -0.857 -1.406 1.00 0.00 O ATOM 1393 CB LEU A 89 7.079 1.447 -3.601 1.00 0.00 C ATOM 1394 CG LEU A 89 5.922 2.226 -4.227 1.00 0.00 C ATOM 1395 CD1 LEU A 89 6.310 2.745 -5.603 1.00 0.00 C ATOM 1396 CD2 LEU A 89 4.678 1.354 -4.316 1.00 0.00 C ATOM 0 H LEU A 89 6.380 3.054 -1.860 1.00 0.00 H new ATOM 0 HA LEU A 89 6.070 0.341 -2.059 1.00 0.00 H new ATOM 0 HB2 LEU A 89 7.983 2.050 -3.683 1.00 0.00 H new ATOM 0 HB3 LEU A 89 7.243 0.544 -4.189 1.00 0.00 H new ATOM 0 HG LEU A 89 5.698 3.081 -3.589 1.00 0.00 H new ATOM 0 HD11 LEU A 89 5.474 3.297 -6.033 1.00 0.00 H new ATOM 0 HD12 LEU A 89 7.173 3.405 -5.513 1.00 0.00 H new ATOM 0 HD13 LEU A 89 6.562 1.905 -6.251 1.00 0.00 H new ATOM 0 HD21 LEU A 89 3.865 1.925 -4.764 1.00 0.00 H new ATOM 0 HD22 LEU A 89 4.890 0.480 -4.932 1.00 0.00 H new ATOM 0 HD23 LEU A 89 4.387 1.032 -3.316 1.00 0.00 H new ATOM 1408 N GLN A 90 9.226 1.132 -1.452 1.00 0.00 N ATOM 1409 CA GLN A 90 10.494 0.596 -0.971 1.00 0.00 C ATOM 1410 C GLN A 90 10.269 -0.401 0.161 1.00 0.00 C ATOM 1411 O GLN A 90 10.904 -1.454 0.208 1.00 0.00 O ATOM 1412 CB GLN A 90 11.403 1.731 -0.495 1.00 0.00 C ATOM 1413 CG GLN A 90 12.055 2.505 -1.629 1.00 0.00 C ATOM 1414 CD GLN A 90 12.758 1.602 -2.623 1.00 0.00 C ATOM 1415 OE1 GLN A 90 13.392 0.616 -2.244 1.00 0.00 O ATOM 1416 NE2 GLN A 90 12.650 1.934 -3.904 1.00 0.00 N ATOM 0 H GLN A 90 9.234 2.136 -1.633 1.00 0.00 H new ATOM 0 HA GLN A 90 10.977 0.075 -1.798 1.00 0.00 H new ATOM 0 HB2 GLN A 90 10.820 2.420 0.116 1.00 0.00 H new ATOM 0 HB3 GLN A 90 12.182 1.317 0.146 1.00 0.00 H new ATOM 0 HG2 GLN A 90 11.296 3.089 -2.149 1.00 0.00 H new ATOM 0 HG3 GLN A 90 12.774 3.212 -1.215 1.00 0.00 H new ATOM 0 HE21 GLN A 90 12.115 2.759 -4.174 1.00 0.00 H new ATOM 0 HE22 GLN A 90 13.102 1.364 -4.619 1.00 0.00 H new ATOM 1425 N ALA A 91 9.362 -0.061 1.071 1.00 0.00 N ATOM 1426 CA ALA A 91 9.053 -0.927 2.202 1.00 0.00 C ATOM 1427 C ALA A 91 7.961 -1.929 1.843 1.00 0.00 C ATOM 1428 O ALA A 91 7.894 -3.018 2.411 1.00 0.00 O ATOM 1429 CB ALA A 91 8.634 -0.095 3.405 1.00 0.00 C ATOM 0 H ALA A 91 8.828 0.808 1.047 1.00 0.00 H new ATOM 0 HA ALA A 91 9.953 -1.486 2.457 1.00 0.00 H new ATOM 0 HB1 ALA A 91 8.406 -0.755 4.242 1.00 0.00 H new ATOM 0 HB2 ALA A 91 9.446 0.577 3.683 1.00 0.00 H new ATOM 0 HB3 ALA A 91 7.749 0.490 3.153 1.00 0.00 H new ATOM 1435 N ALA A 92 7.106 -1.552 0.898 1.00 0.00 N ATOM 1436 CA ALA A 92 6.017 -2.419 0.463 1.00 0.00 C ATOM 1437 C ALA A 92 6.537 -3.797 0.068 1.00 0.00 C ATOM 1438 O ALA A 92 5.960 -4.817 0.441 1.00 0.00 O ATOM 1439 CB ALA A 92 5.268 -1.782 -0.699 1.00 0.00 C ATOM 0 H ALA A 92 7.146 -0.652 0.419 1.00 0.00 H new ATOM 0 HA ALA A 92 5.329 -2.545 1.299 1.00 0.00 H new ATOM 0 HB1 ALA A 92 4.458 -2.440 -1.014 1.00 0.00 H new ATOM 0 HB2 ALA A 92 4.856 -0.823 -0.384 1.00 0.00 H new ATOM 0 HB3 ALA A 92 5.953 -1.626 -1.532 1.00 0.00 H new ATOM 1445 N GLU A 93 7.630 -3.818 -0.689 1.00 0.00 N ATOM 1446 CA GLU A 93 8.225 -5.072 -1.135 1.00 0.00 C ATOM 1447 C GLU A 93 8.923 -5.784 0.021 1.00 0.00 C ATOM 1448 O GLU A 93 8.734 -6.983 0.229 1.00 0.00 O ATOM 1449 CB GLU A 93 9.223 -4.815 -2.266 1.00 0.00 C ATOM 1450 CG GLU A 93 10.355 -5.827 -2.321 1.00 0.00 C ATOM 1451 CD GLU A 93 11.442 -5.543 -1.302 1.00 0.00 C ATOM 1452 OE1 GLU A 93 11.865 -4.372 -1.198 1.00 0.00 O ATOM 1453 OE2 GLU A 93 11.869 -6.490 -0.610 1.00 0.00 O ATOM 0 H GLU A 93 8.121 -2.982 -1.006 1.00 0.00 H new ATOM 0 HA GLU A 93 7.425 -5.713 -1.505 1.00 0.00 H new ATOM 0 HB2 GLU A 93 8.691 -4.825 -3.218 1.00 0.00 H new ATOM 0 HB3 GLU A 93 9.645 -3.817 -2.147 1.00 0.00 H new ATOM 0 HG2 GLU A 93 9.953 -6.826 -2.149 1.00 0.00 H new ATOM 0 HG3 GLU A 93 10.790 -5.826 -3.320 1.00 0.00 H new ATOM 1460 N ARG A 94 9.729 -5.038 0.768 1.00 0.00 N ATOM 1461 CA ARG A 94 10.456 -5.597 1.901 1.00 0.00 C ATOM 1462 C ARG A 94 9.492 -6.178 2.932 1.00 0.00 C ATOM 1463 O ARG A 94 9.873 -7.018 3.748 1.00 0.00 O ATOM 1464 CB ARG A 94 11.331 -4.525 2.553 1.00 0.00 C ATOM 1465 CG ARG A 94 12.620 -4.249 1.797 1.00 0.00 C ATOM 1466 CD ARG A 94 13.642 -3.546 2.677 1.00 0.00 C ATOM 1467 NE ARG A 94 14.480 -4.494 3.407 1.00 0.00 N ATOM 1468 CZ ARG A 94 15.438 -5.218 2.838 1.00 0.00 C ATOM 1469 NH1 ARG A 94 15.679 -5.101 1.539 1.00 0.00 N ATOM 1470 NH2 ARG A 94 16.159 -6.059 3.568 1.00 0.00 N ATOM 0 H ARG A 94 9.895 -4.044 0.609 1.00 0.00 H new ATOM 0 HA ARG A 94 11.093 -6.400 1.531 1.00 0.00 H new ATOM 0 HB2 ARG A 94 10.760 -3.600 2.631 1.00 0.00 H new ATOM 0 HB3 ARG A 94 11.575 -4.835 3.569 1.00 0.00 H new ATOM 0 HG2 ARG A 94 13.037 -5.187 1.432 1.00 0.00 H new ATOM 0 HG3 ARG A 94 12.406 -3.634 0.923 1.00 0.00 H new ATOM 0 HD2 ARG A 94 14.272 -2.905 2.060 1.00 0.00 H new ATOM 0 HD3 ARG A 94 13.126 -2.898 3.385 1.00 0.00 H new ATOM 0 HE ARG A 94 14.321 -4.606 4.408 1.00 0.00 H new ATOM 0 HH11 ARG A 94 15.128 -4.454 0.974 1.00 0.00 H new ATOM 0 HH12 ARG A 94 16.415 -5.658 1.105 1.00 0.00 H new ATOM 0 HH21 ARG A 94 15.978 -6.151 4.568 1.00 0.00 H new ATOM 0 HH22 ARG A 94 16.894 -6.614 3.130 1.00 0.00 H new ATOM 1484 N TYR A 95 8.244 -5.725 2.889 1.00 0.00 N ATOM 1485 CA TYR A 95 7.227 -6.197 3.821 1.00 0.00 C ATOM 1486 C TYR A 95 6.809 -7.627 3.492 1.00 0.00 C ATOM 1487 O TYR A 95 6.572 -8.438 4.386 1.00 0.00 O ATOM 1488 CB TYR A 95 6.007 -5.276 3.786 1.00 0.00 C ATOM 1489 CG TYR A 95 4.728 -5.947 4.234 1.00 0.00 C ATOM 1490 CD1 TYR A 95 4.419 -6.069 5.583 1.00 0.00 C ATOM 1491 CD2 TYR A 95 3.828 -6.459 3.307 1.00 0.00 C ATOM 1492 CE1 TYR A 95 3.253 -6.683 5.996 1.00 0.00 C ATOM 1493 CE2 TYR A 95 2.658 -7.073 3.711 1.00 0.00 C ATOM 1494 CZ TYR A 95 2.375 -7.183 5.056 1.00 0.00 C ATOM 1495 OH TYR A 95 1.211 -7.794 5.464 1.00 0.00 O ATOM 0 H TYR A 95 7.912 -5.031 2.219 1.00 0.00 H new ATOM 0 HA TYR A 95 7.655 -6.184 4.824 1.00 0.00 H new ATOM 0 HB2 TYR A 95 6.196 -4.412 4.423 1.00 0.00 H new ATOM 0 HB3 TYR A 95 5.874 -4.901 2.771 1.00 0.00 H new ATOM 0 HD1 TYR A 95 5.103 -5.677 6.322 1.00 0.00 H new ATOM 0 HD2 TYR A 95 4.047 -6.376 2.253 1.00 0.00 H new ATOM 0 HE1 TYR A 95 3.029 -6.771 7.049 1.00 0.00 H new ATOM 0 HE2 TYR A 95 1.969 -7.465 2.977 1.00 0.00 H new ATOM 0 HH TYR A 95 1.423 -8.653 5.886 1.00 0.00 H new ATOM 1505 N GLY A 96 6.720 -7.928 2.200 1.00 0.00 N ATOM 1506 CA GLY A 96 6.330 -9.259 1.773 1.00 0.00 C ATOM 1507 C GLY A 96 5.815 -9.284 0.348 1.00 0.00 C ATOM 1508 O GLY A 96 6.042 -10.247 -0.385 1.00 0.00 O ATOM 0 H GLY A 96 6.911 -7.274 1.441 1.00 0.00 H new ATOM 0 HA2 GLY A 96 7.185 -9.930 1.859 1.00 0.00 H new ATOM 0 HA3 GLY A 96 5.558 -9.640 2.442 1.00 0.00 H new ATOM 1512 N ILE A 97 5.118 -8.224 -0.046 1.00 0.00 N ATOM 1513 CA ILE A 97 4.568 -8.129 -1.393 1.00 0.00 C ATOM 1514 C ILE A 97 5.644 -8.378 -2.444 1.00 0.00 C ATOM 1515 O ILE A 97 6.837 -8.254 -2.168 1.00 0.00 O ATOM 1516 CB ILE A 97 3.930 -6.750 -1.644 1.00 0.00 C ATOM 1517 CG1 ILE A 97 2.760 -6.522 -0.685 1.00 0.00 C ATOM 1518 CG2 ILE A 97 3.468 -6.636 -3.089 1.00 0.00 C ATOM 1519 CD1 ILE A 97 2.167 -5.133 -0.774 1.00 0.00 C ATOM 0 H ILE A 97 4.921 -7.419 0.548 1.00 0.00 H new ATOM 0 HA ILE A 97 3.798 -8.897 -1.475 1.00 0.00 H new ATOM 0 HB ILE A 97 4.680 -5.980 -1.461 1.00 0.00 H new ATOM 0 HG12 ILE A 97 1.981 -7.255 -0.895 1.00 0.00 H new ATOM 0 HG13 ILE A 97 3.098 -6.699 0.336 1.00 0.00 H new ATOM 0 HG21 ILE A 97 3.019 -5.656 -3.251 1.00 0.00 H new ATOM 0 HG22 ILE A 97 4.322 -6.759 -3.755 1.00 0.00 H new ATOM 0 HG23 ILE A 97 2.731 -7.412 -3.298 1.00 0.00 H new ATOM 0 HD11 ILE A 97 1.343 -5.043 -0.066 1.00 0.00 H new ATOM 0 HD12 ILE A 97 2.932 -4.395 -0.535 1.00 0.00 H new ATOM 0 HD13 ILE A 97 1.798 -4.959 -1.785 1.00 0.00 H new ATOM 1531 N ASN A 98 5.214 -8.729 -3.652 1.00 0.00 N ATOM 1532 CA ASN A 98 6.140 -8.995 -4.746 1.00 0.00 C ATOM 1533 C ASN A 98 6.230 -7.796 -5.686 1.00 0.00 C ATOM 1534 O ASN A 98 5.216 -7.202 -6.051 1.00 0.00 O ATOM 1535 CB ASN A 98 5.700 -10.236 -5.525 1.00 0.00 C ATOM 1536 CG ASN A 98 6.814 -10.807 -6.380 1.00 0.00 C ATOM 1537 OD1 ASN A 98 7.665 -10.073 -6.882 1.00 0.00 O ATOM 1538 ND2 ASN A 98 6.813 -12.124 -6.551 1.00 0.00 N ATOM 0 H ASN A 98 4.230 -8.836 -3.897 1.00 0.00 H new ATOM 0 HA ASN A 98 7.126 -9.174 -4.318 1.00 0.00 H new ATOM 0 HB2 ASN A 98 5.356 -10.998 -4.825 1.00 0.00 H new ATOM 0 HB3 ASN A 98 4.852 -9.981 -6.161 1.00 0.00 H new ATOM 0 HD21 ASN A 98 7.538 -12.565 -7.117 1.00 0.00 H new ATOM 0 HD22 ASN A 98 6.088 -12.694 -6.116 1.00 0.00 H new ATOM 1545 N THR A 99 7.452 -7.447 -6.075 1.00 0.00 N ATOM 1546 CA THR A 99 7.676 -6.319 -6.971 1.00 0.00 C ATOM 1547 C THR A 99 6.946 -6.516 -8.295 1.00 0.00 C ATOM 1548 O THR A 99 6.640 -5.552 -8.997 1.00 0.00 O ATOM 1549 CB THR A 99 9.177 -6.114 -7.251 1.00 0.00 C ATOM 1550 OG1 THR A 99 9.839 -7.381 -7.330 1.00 0.00 O ATOM 1551 CG2 THR A 99 9.819 -5.267 -6.163 1.00 0.00 C ATOM 0 H THR A 99 8.302 -7.929 -5.784 1.00 0.00 H new ATOM 0 HA THR A 99 7.283 -5.434 -6.470 1.00 0.00 H new ATOM 0 HB THR A 99 9.279 -5.593 -8.203 1.00 0.00 H new ATOM 0 HG1 THR A 99 10.792 -7.241 -7.510 1.00 0.00 H new ATOM 0 HG21 THR A 99 10.879 -5.136 -6.382 1.00 0.00 H new ATOM 0 HG22 THR A 99 9.333 -4.292 -6.126 1.00 0.00 H new ATOM 0 HG23 THR A 99 9.707 -5.765 -5.200 1.00 0.00 H new ATOM 1559 N THR A 100 6.668 -7.772 -8.631 1.00 0.00 N ATOM 1560 CA THR A 100 5.973 -8.096 -9.871 1.00 0.00 C ATOM 1561 C THR A 100 4.541 -7.574 -9.851 1.00 0.00 C ATOM 1562 O THR A 100 3.875 -7.522 -10.885 1.00 0.00 O ATOM 1563 CB THR A 100 5.951 -9.615 -10.122 1.00 0.00 C ATOM 1564 OG1 THR A 100 5.646 -9.880 -11.496 1.00 0.00 O ATOM 1565 CG2 THR A 100 4.924 -10.296 -9.229 1.00 0.00 C ATOM 0 H THR A 100 6.914 -8.582 -8.061 1.00 0.00 H new ATOM 0 HA THR A 100 6.522 -7.610 -10.678 1.00 0.00 H new ATOM 0 HB THR A 100 6.937 -10.015 -9.885 1.00 0.00 H new ATOM 0 HG1 THR A 100 4.909 -9.302 -11.785 1.00 0.00 H new ATOM 0 HG21 THR A 100 4.926 -11.368 -9.424 1.00 0.00 H new ATOM 0 HG22 THR A 100 5.175 -10.117 -8.184 1.00 0.00 H new ATOM 0 HG23 THR A 100 3.934 -9.891 -9.439 1.00 0.00 H new ATOM 1573 N ASP A 101 4.074 -7.188 -8.669 1.00 0.00 N ATOM 1574 CA ASP A 101 2.720 -6.668 -8.515 1.00 0.00 C ATOM 1575 C ASP A 101 2.744 -5.179 -8.183 1.00 0.00 C ATOM 1576 O ASP A 101 1.873 -4.423 -8.614 1.00 0.00 O ATOM 1577 CB ASP A 101 1.977 -7.435 -7.421 1.00 0.00 C ATOM 1578 CG ASP A 101 1.603 -8.840 -7.851 1.00 0.00 C ATOM 1579 OD1 ASP A 101 0.668 -8.983 -8.667 1.00 0.00 O ATOM 1580 OD2 ASP A 101 2.246 -9.798 -7.372 1.00 0.00 O ATOM 0 H ASP A 101 4.613 -7.225 -7.804 1.00 0.00 H new ATOM 0 HA ASP A 101 2.196 -6.803 -9.461 1.00 0.00 H new ATOM 0 HB2 ASP A 101 2.601 -7.485 -6.529 1.00 0.00 H new ATOM 0 HB3 ASP A 101 1.074 -6.889 -7.148 1.00 0.00 H new ATOM 1585 N ILE A 102 3.746 -4.766 -7.415 1.00 0.00 N ATOM 1586 CA ILE A 102 3.883 -3.368 -7.025 1.00 0.00 C ATOM 1587 C ILE A 102 3.800 -2.449 -8.239 1.00 0.00 C ATOM 1588 O ILE A 102 4.314 -2.770 -9.311 1.00 0.00 O ATOM 1589 CB ILE A 102 5.214 -3.116 -6.293 1.00 0.00 C ATOM 1590 CG1 ILE A 102 5.150 -3.666 -4.867 1.00 0.00 C ATOM 1591 CG2 ILE A 102 5.537 -1.629 -6.279 1.00 0.00 C ATOM 1592 CD1 ILE A 102 6.496 -4.084 -4.319 1.00 0.00 C ATOM 0 H ILE A 102 4.475 -5.379 -7.050 1.00 0.00 H new ATOM 0 HA ILE A 102 3.058 -3.146 -6.348 1.00 0.00 H new ATOM 0 HB ILE A 102 6.009 -3.636 -6.827 1.00 0.00 H new ATOM 0 HG12 ILE A 102 4.720 -2.907 -4.213 1.00 0.00 H new ATOM 0 HG13 ILE A 102 4.477 -4.523 -4.847 1.00 0.00 H new ATOM 0 HG21 ILE A 102 6.481 -1.467 -5.758 1.00 0.00 H new ATOM 0 HG22 ILE A 102 5.620 -1.265 -7.303 1.00 0.00 H new ATOM 0 HG23 ILE A 102 4.742 -1.089 -5.766 1.00 0.00 H new ATOM 0 HD11 ILE A 102 6.374 -4.464 -3.305 1.00 0.00 H new ATOM 0 HD12 ILE A 102 6.919 -4.865 -4.950 1.00 0.00 H new ATOM 0 HD13 ILE A 102 7.167 -3.225 -4.306 1.00 0.00 H new ATOM 1604 N PHE A 103 3.153 -1.302 -8.062 1.00 0.00 N ATOM 1605 CA PHE A 103 3.003 -0.334 -9.143 1.00 0.00 C ATOM 1606 C PHE A 103 4.219 0.586 -9.221 1.00 0.00 C ATOM 1607 O PHE A 103 5.159 0.455 -8.438 1.00 0.00 O ATOM 1608 CB PHE A 103 1.734 0.496 -8.941 1.00 0.00 C ATOM 1609 CG PHE A 103 1.717 1.261 -7.648 1.00 0.00 C ATOM 1610 CD1 PHE A 103 1.353 0.639 -6.465 1.00 0.00 C ATOM 1611 CD2 PHE A 103 2.066 2.602 -7.617 1.00 0.00 C ATOM 1612 CE1 PHE A 103 1.336 1.341 -5.274 1.00 0.00 C ATOM 1613 CE2 PHE A 103 2.051 3.309 -6.429 1.00 0.00 C ATOM 1614 CZ PHE A 103 1.686 2.677 -5.256 1.00 0.00 C ATOM 0 H PHE A 103 2.724 -1.020 -7.181 1.00 0.00 H new ATOM 0 HA PHE A 103 2.923 -0.884 -10.081 1.00 0.00 H new ATOM 0 HB2 PHE A 103 1.632 1.197 -9.770 1.00 0.00 H new ATOM 0 HB3 PHE A 103 0.868 -0.165 -8.974 1.00 0.00 H new ATOM 0 HD1 PHE A 103 1.079 -0.406 -6.473 1.00 0.00 H new ATOM 0 HD2 PHE A 103 2.353 3.100 -8.531 1.00 0.00 H new ATOM 0 HE1 PHE A 103 1.049 0.845 -4.358 1.00 0.00 H new ATOM 0 HE2 PHE A 103 2.324 4.354 -6.418 1.00 0.00 H new ATOM 0 HZ PHE A 103 1.674 3.227 -4.326 1.00 0.00 H new ATOM 1624 N GLN A 104 4.190 1.515 -10.171 1.00 0.00 N ATOM 1625 CA GLN A 104 5.290 2.455 -10.353 1.00 0.00 C ATOM 1626 C GLN A 104 4.931 3.827 -9.792 1.00 0.00 C ATOM 1627 O GLN A 104 3.766 4.228 -9.800 1.00 0.00 O ATOM 1628 CB GLN A 104 5.647 2.574 -11.835 1.00 0.00 C ATOM 1629 CG GLN A 104 6.592 1.487 -12.323 1.00 0.00 C ATOM 1630 CD GLN A 104 7.856 1.397 -11.491 1.00 0.00 C ATOM 1631 OE1 GLN A 104 8.394 2.411 -11.046 1.00 0.00 O ATOM 1632 NE2 GLN A 104 8.337 0.178 -11.276 1.00 0.00 N ATOM 0 H GLN A 104 3.418 1.637 -10.826 1.00 0.00 H new ATOM 0 HA GLN A 104 6.154 2.075 -9.808 1.00 0.00 H new ATOM 0 HB2 GLN A 104 4.731 2.539 -12.425 1.00 0.00 H new ATOM 0 HB3 GLN A 104 6.104 3.548 -12.013 1.00 0.00 H new ATOM 0 HG2 GLN A 104 6.077 0.526 -12.300 1.00 0.00 H new ATOM 0 HG3 GLN A 104 6.858 1.682 -13.362 1.00 0.00 H new ATOM 0 HE21 GLN A 104 7.858 -0.635 -11.664 1.00 0.00 H new ATOM 0 HE22 GLN A 104 9.185 0.055 -10.723 1.00 0.00 H new ATOM 1641 N THR A 105 5.938 4.544 -9.305 1.00 0.00 N ATOM 1642 CA THR A 105 5.729 5.871 -8.739 1.00 0.00 C ATOM 1643 C THR A 105 4.866 6.730 -9.655 1.00 0.00 C ATOM 1644 O THR A 105 3.933 7.395 -9.203 1.00 0.00 O ATOM 1645 CB THR A 105 7.067 6.592 -8.488 1.00 0.00 C ATOM 1646 OG1 THR A 105 7.867 5.836 -7.573 1.00 0.00 O ATOM 1647 CG2 THR A 105 6.833 7.988 -7.930 1.00 0.00 C ATOM 0 H THR A 105 6.908 4.228 -9.291 1.00 0.00 H new ATOM 0 HA THR A 105 5.216 5.731 -7.787 1.00 0.00 H new ATOM 0 HB THR A 105 7.590 6.681 -9.440 1.00 0.00 H new ATOM 0 HG1 THR A 105 8.716 6.300 -7.420 1.00 0.00 H new ATOM 0 HG21 THR A 105 7.792 8.478 -7.761 1.00 0.00 H new ATOM 0 HG22 THR A 105 6.248 8.571 -8.642 1.00 0.00 H new ATOM 0 HG23 THR A 105 6.291 7.917 -6.987 1.00 0.00 H new ATOM 1655 N VAL A 106 5.181 6.711 -10.946 1.00 0.00 N ATOM 1656 CA VAL A 106 4.432 7.487 -11.928 1.00 0.00 C ATOM 1657 C VAL A 106 3.080 6.847 -12.219 1.00 0.00 C ATOM 1658 O VAL A 106 2.069 7.538 -12.348 1.00 0.00 O ATOM 1659 CB VAL A 106 5.215 7.629 -13.247 1.00 0.00 C ATOM 1660 CG1 VAL A 106 5.511 6.261 -13.842 1.00 0.00 C ATOM 1661 CG2 VAL A 106 4.444 8.494 -14.233 1.00 0.00 C ATOM 0 H VAL A 106 5.950 6.167 -11.337 1.00 0.00 H new ATOM 0 HA VAL A 106 4.277 8.476 -11.498 1.00 0.00 H new ATOM 0 HB VAL A 106 6.165 8.119 -13.035 1.00 0.00 H new ATOM 0 HG11 VAL A 106 6.065 6.381 -14.773 1.00 0.00 H new ATOM 0 HG12 VAL A 106 6.107 5.679 -13.138 1.00 0.00 H new ATOM 0 HG13 VAL A 106 4.574 5.741 -14.041 1.00 0.00 H new ATOM 0 HG21 VAL A 106 5.011 8.584 -15.159 1.00 0.00 H new ATOM 0 HG22 VAL A 106 3.478 8.034 -14.442 1.00 0.00 H new ATOM 0 HG23 VAL A 106 4.289 9.484 -13.805 1.00 0.00 H new ATOM 1671 N ASP A 107 3.068 5.523 -12.320 1.00 0.00 N ATOM 1672 CA ASP A 107 1.839 4.787 -12.594 1.00 0.00 C ATOM 1673 C ASP A 107 0.680 5.339 -11.769 1.00 0.00 C ATOM 1674 O ASP A 107 -0.474 5.301 -12.197 1.00 0.00 O ATOM 1675 CB ASP A 107 2.031 3.300 -12.294 1.00 0.00 C ATOM 1676 CG ASP A 107 2.578 2.536 -13.484 1.00 0.00 C ATOM 1677 OD1 ASP A 107 2.614 3.110 -14.593 1.00 0.00 O ATOM 1678 OD2 ASP A 107 2.971 1.364 -13.307 1.00 0.00 O ATOM 0 H ASP A 107 3.896 4.937 -12.216 1.00 0.00 H new ATOM 0 HA ASP A 107 1.601 4.908 -13.651 1.00 0.00 H new ATOM 0 HB2 ASP A 107 2.711 3.187 -11.450 1.00 0.00 H new ATOM 0 HB3 ASP A 107 1.077 2.866 -11.995 1.00 0.00 H new ATOM 1683 N LEU A 108 0.995 5.851 -10.584 1.00 0.00 N ATOM 1684 CA LEU A 108 -0.020 6.410 -9.698 1.00 0.00 C ATOM 1685 C LEU A 108 -0.022 7.934 -9.766 1.00 0.00 C ATOM 1686 O LEU A 108 -1.056 8.552 -10.023 1.00 0.00 O ATOM 1687 CB LEU A 108 0.224 5.953 -8.259 1.00 0.00 C ATOM 1688 CG LEU A 108 -0.587 6.671 -7.180 1.00 0.00 C ATOM 1689 CD1 LEU A 108 -2.067 6.351 -7.323 1.00 0.00 C ATOM 1690 CD2 LEU A 108 -0.088 6.288 -5.794 1.00 0.00 C ATOM 0 H LEU A 108 1.945 5.891 -10.215 1.00 0.00 H new ATOM 0 HA LEU A 108 -0.994 6.048 -10.028 1.00 0.00 H new ATOM 0 HB2 LEU A 108 0.010 4.886 -8.197 1.00 0.00 H new ATOM 0 HB3 LEU A 108 1.283 6.079 -8.034 1.00 0.00 H new ATOM 0 HG LEU A 108 -0.455 7.745 -7.308 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -2.628 6.871 -6.547 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -2.417 6.676 -8.303 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -2.218 5.276 -7.222 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -0.677 6.808 -5.039 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -0.190 5.212 -5.655 1.00 0.00 H new ATOM 0 HD23 LEU A 108 0.960 6.569 -5.694 1.00 0.00 H new ATOM 1702 N TRP A 109 1.141 8.533 -9.536 1.00 0.00 N ATOM 1703 CA TRP A 109 1.273 9.985 -9.574 1.00 0.00 C ATOM 1704 C TRP A 109 0.534 10.568 -10.774 1.00 0.00 C ATOM 1705 O TRP A 109 -0.254 11.502 -10.633 1.00 0.00 O ATOM 1706 CB TRP A 109 2.749 10.382 -9.626 1.00 0.00 C ATOM 1707 CG TRP A 109 2.984 11.833 -9.331 1.00 0.00 C ATOM 1708 CD1 TRP A 109 2.787 12.469 -8.138 1.00 0.00 C ATOM 1709 CD2 TRP A 109 3.459 12.827 -10.244 1.00 0.00 C ATOM 1710 NE1 TRP A 109 3.111 13.799 -8.256 1.00 0.00 N ATOM 1711 CE2 TRP A 109 3.527 14.044 -9.538 1.00 0.00 C ATOM 1712 CE3 TRP A 109 3.836 12.808 -11.590 1.00 0.00 C ATOM 1713 CZ2 TRP A 109 3.954 15.227 -10.134 1.00 0.00 C ATOM 1714 CZ3 TRP A 109 4.260 13.984 -12.180 1.00 0.00 C ATOM 1715 CH2 TRP A 109 4.317 15.180 -11.452 1.00 0.00 C ATOM 0 H TRP A 109 2.006 8.036 -9.321 1.00 0.00 H new ATOM 0 HA TRP A 109 0.827 10.389 -8.665 1.00 0.00 H new ATOM 0 HB2 TRP A 109 3.306 9.778 -8.910 1.00 0.00 H new ATOM 0 HB3 TRP A 109 3.146 10.151 -10.615 1.00 0.00 H new ATOM 0 HD1 TRP A 109 2.429 11.996 -7.235 1.00 0.00 H new ATOM 0 HE1 TRP A 109 3.051 14.492 -7.510 1.00 0.00 H new ATOM 0 HE3 TRP A 109 3.797 11.891 -12.159 1.00 0.00 H new ATOM 0 HZ2 TRP A 109 3.997 16.150 -9.575 1.00 0.00 H new ATOM 0 HZ3 TRP A 109 4.552 13.981 -13.220 1.00 0.00 H new ATOM 0 HH2 TRP A 109 4.654 16.082 -11.941 1.00 0.00 H new ATOM 1726 N GLU A 110 0.794 10.010 -11.952 1.00 0.00 N ATOM 1727 CA GLU A 110 0.153 10.477 -13.175 1.00 0.00 C ATOM 1728 C GLU A 110 -1.129 9.696 -13.450 1.00 0.00 C ATOM 1729 O GLU A 110 -1.929 10.076 -14.304 1.00 0.00 O ATOM 1730 CB GLU A 110 1.109 10.341 -14.362 1.00 0.00 C ATOM 1731 CG GLU A 110 1.975 11.569 -14.590 1.00 0.00 C ATOM 1732 CD GLU A 110 2.393 11.728 -16.039 1.00 0.00 C ATOM 1733 OE1 GLU A 110 2.834 10.728 -16.642 1.00 0.00 O ATOM 1734 OE2 GLU A 110 2.278 12.853 -16.570 1.00 0.00 O ATOM 0 H GLU A 110 1.443 9.235 -12.085 1.00 0.00 H new ATOM 0 HA GLU A 110 -0.103 11.528 -13.042 1.00 0.00 H new ATOM 0 HB2 GLU A 110 1.754 9.477 -14.201 1.00 0.00 H new ATOM 0 HB3 GLU A 110 0.529 10.143 -15.264 1.00 0.00 H new ATOM 0 HG2 GLU A 110 1.429 12.458 -14.274 1.00 0.00 H new ATOM 0 HG3 GLU A 110 2.865 11.502 -13.964 1.00 0.00 H new ATOM 1741 N GLY A 111 -1.317 8.602 -12.718 1.00 0.00 N ATOM 1742 CA GLY A 111 -2.503 7.785 -12.897 1.00 0.00 C ATOM 1743 C GLY A 111 -2.505 7.049 -14.222 1.00 0.00 C ATOM 1744 O GLY A 111 -3.541 6.939 -14.879 1.00 0.00 O ATOM 0 H GLY A 111 -0.669 8.267 -12.005 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -2.569 7.063 -12.083 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -3.389 8.417 -12.835 1.00 0.00 H new ATOM 1748 N LYS A 112 -1.341 6.544 -14.619 1.00 0.00 N ATOM 1749 CA LYS A 112 -1.212 5.815 -15.875 1.00 0.00 C ATOM 1750 C LYS A 112 -1.720 4.385 -15.729 1.00 0.00 C ATOM 1751 O LYS A 112 -2.403 3.866 -16.611 1.00 0.00 O ATOM 1752 CB LYS A 112 0.248 5.805 -16.334 1.00 0.00 C ATOM 1753 CG LYS A 112 0.630 7.009 -17.178 1.00 0.00 C ATOM 1754 CD LYS A 112 2.003 6.837 -17.806 1.00 0.00 C ATOM 1755 CE LYS A 112 3.112 7.191 -16.827 1.00 0.00 C ATOM 1756 NZ LYS A 112 4.444 6.733 -17.309 1.00 0.00 N ATOM 0 H LYS A 112 -0.474 6.627 -14.089 1.00 0.00 H new ATOM 0 HA LYS A 112 -1.819 6.322 -16.625 1.00 0.00 H new ATOM 0 HB2 LYS A 112 0.895 5.766 -15.458 1.00 0.00 H new ATOM 0 HB3 LYS A 112 0.433 4.897 -16.907 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -0.114 7.156 -17.961 1.00 0.00 H new ATOM 0 HG3 LYS A 112 0.622 7.906 -16.559 1.00 0.00 H new ATOM 0 HD2 LYS A 112 2.125 5.806 -18.139 1.00 0.00 H new ATOM 0 HD3 LYS A 112 2.082 7.469 -18.690 1.00 0.00 H new ATOM 0 HE2 LYS A 112 3.132 8.270 -16.676 1.00 0.00 H new ATOM 0 HE3 LYS A 112 2.900 6.737 -15.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 5.186 7.342 -16.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 4.603 5.751 -17.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 4.474 6.786 -18.347 1.00 0.00 H new ATOM 1770 N ASN A 113 -1.384 3.754 -14.609 1.00 0.00 N ATOM 1771 CA ASN A 113 -1.808 2.383 -14.347 1.00 0.00 C ATOM 1772 C ASN A 113 -2.623 2.302 -13.060 1.00 0.00 C ATOM 1773 O ASN A 113 -2.267 1.576 -12.132 1.00 0.00 O ATOM 1774 CB ASN A 113 -0.591 1.460 -14.252 1.00 0.00 C ATOM 1775 CG ASN A 113 0.044 1.199 -15.604 1.00 0.00 C ATOM 1776 OD1 ASN A 113 -0.126 1.977 -16.543 1.00 0.00 O ATOM 1777 ND2 ASN A 113 0.780 0.099 -15.709 1.00 0.00 N ATOM 0 H ASN A 113 -0.819 4.170 -13.868 1.00 0.00 H new ATOM 0 HA ASN A 113 -2.438 2.059 -15.176 1.00 0.00 H new ATOM 0 HB2 ASN A 113 0.148 1.906 -13.586 1.00 0.00 H new ATOM 0 HB3 ASN A 113 -0.891 0.512 -13.806 1.00 0.00 H new ATOM 0 HD21 ASN A 113 1.232 -0.130 -16.594 1.00 0.00 H new ATOM 0 HD22 ASN A 113 0.894 -0.517 -14.904 1.00 0.00 H new ATOM 1784 N MET A 114 -3.720 3.051 -13.013 1.00 0.00 N ATOM 1785 CA MET A 114 -4.587 3.063 -11.841 1.00 0.00 C ATOM 1786 C MET A 114 -5.052 1.652 -11.495 1.00 0.00 C ATOM 1787 O MET A 114 -5.482 1.388 -10.372 1.00 0.00 O ATOM 1788 CB MET A 114 -5.799 3.965 -12.085 1.00 0.00 C ATOM 1789 CG MET A 114 -6.665 4.165 -10.853 1.00 0.00 C ATOM 1790 SD MET A 114 -6.157 5.589 -9.870 1.00 0.00 S ATOM 1791 CE MET A 114 -5.243 4.785 -8.557 1.00 0.00 C ATOM 0 H MET A 114 -4.029 3.657 -13.773 1.00 0.00 H new ATOM 0 HA MET A 114 -4.014 3.455 -11.001 1.00 0.00 H new ATOM 0 HB2 MET A 114 -5.453 4.937 -12.438 1.00 0.00 H new ATOM 0 HB3 MET A 114 -6.407 3.535 -12.881 1.00 0.00 H new ATOM 0 HG2 MET A 114 -7.703 4.292 -11.160 1.00 0.00 H new ATOM 0 HG3 MET A 114 -6.623 3.268 -10.235 1.00 0.00 H new ATOM 0 HE1 MET A 114 -4.774 5.539 -7.925 1.00 0.00 H new ATOM 0 HE2 MET A 114 -5.924 4.181 -7.957 1.00 0.00 H new ATOM 0 HE3 MET A 114 -4.474 4.145 -8.988 1.00 0.00 H new ATOM 1801 N ALA A 115 -4.962 0.749 -12.466 1.00 0.00 N ATOM 1802 CA ALA A 115 -5.371 -0.635 -12.262 1.00 0.00 C ATOM 1803 C ALA A 115 -4.321 -1.408 -11.471 1.00 0.00 C ATOM 1804 O ALA A 115 -4.649 -2.321 -10.712 1.00 0.00 O ATOM 1805 CB ALA A 115 -5.629 -1.312 -13.600 1.00 0.00 C ATOM 0 H ALA A 115 -4.609 0.951 -13.402 1.00 0.00 H new ATOM 0 HA ALA A 115 -6.295 -0.632 -11.684 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -5.934 -2.345 -13.432 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -6.421 -0.782 -14.129 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -4.718 -1.295 -14.198 1.00 0.00 H new ATOM 1811 N CYS A 116 -3.059 -1.037 -11.653 1.00 0.00 N ATOM 1812 CA CYS A 116 -1.960 -1.696 -10.957 1.00 0.00 C ATOM 1813 C CYS A 116 -1.983 -1.367 -9.468 1.00 0.00 C ATOM 1814 O CYS A 116 -2.210 -2.241 -8.632 1.00 0.00 O ATOM 1815 CB CYS A 116 -0.620 -1.277 -11.564 1.00 0.00 C ATOM 1816 SG CYS A 116 0.733 -2.432 -11.235 1.00 0.00 S ATOM 0 H CYS A 116 -2.771 -0.283 -12.277 1.00 0.00 H new ATOM 0 HA CYS A 116 -2.083 -2.773 -11.074 1.00 0.00 H new ATOM 0 HB2 CYS A 116 -0.739 -1.171 -12.642 1.00 0.00 H new ATOM 0 HB3 CYS A 116 -0.348 -0.296 -11.175 1.00 0.00 H new ATOM 0 HG CYS A 116 1.823 -1.993 -11.790 1.00 0.00 H new ATOM 1822 N VAL A 117 -1.746 -0.100 -9.144 1.00 0.00 N ATOM 1823 CA VAL A 117 -1.739 0.346 -7.756 1.00 0.00 C ATOM 1824 C VAL A 117 -3.022 -0.063 -7.041 1.00 0.00 C ATOM 1825 O VAL A 117 -2.994 -0.472 -5.881 1.00 0.00 O ATOM 1826 CB VAL A 117 -1.575 1.874 -7.658 1.00 0.00 C ATOM 1827 CG1 VAL A 117 -2.583 2.579 -8.553 1.00 0.00 C ATOM 1828 CG2 VAL A 117 -1.718 2.334 -6.215 1.00 0.00 C ATOM 0 H VAL A 117 -1.556 0.636 -9.824 1.00 0.00 H new ATOM 0 HA VAL A 117 -0.888 -0.135 -7.274 1.00 0.00 H new ATOM 0 HB VAL A 117 -0.574 2.136 -8.002 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -2.451 3.658 -8.470 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -2.428 2.273 -9.588 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -3.594 2.312 -8.244 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -1.599 3.416 -6.165 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -2.705 2.059 -5.842 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -0.953 1.856 -5.603 1.00 0.00 H new ATOM 1838 N GLN A 118 -4.145 0.050 -7.743 1.00 0.00 N ATOM 1839 CA GLN A 118 -5.440 -0.308 -7.175 1.00 0.00 C ATOM 1840 C GLN A 118 -5.414 -1.725 -6.612 1.00 0.00 C ATOM 1841 O GLN A 118 -6.202 -2.068 -5.731 1.00 0.00 O ATOM 1842 CB GLN A 118 -6.537 -0.187 -8.234 1.00 0.00 C ATOM 1843 CG GLN A 118 -7.168 1.194 -8.301 1.00 0.00 C ATOM 1844 CD GLN A 118 -8.023 1.504 -7.089 1.00 0.00 C ATOM 1845 OE1 GLN A 118 -7.767 2.466 -6.363 1.00 0.00 O ATOM 1846 NE2 GLN A 118 -9.047 0.690 -6.862 1.00 0.00 N ATOM 0 H GLN A 118 -4.185 0.386 -8.705 1.00 0.00 H new ATOM 0 HA GLN A 118 -5.655 0.383 -6.360 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -6.118 -0.433 -9.209 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -7.314 -0.923 -8.026 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -6.382 1.944 -8.388 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -7.779 1.267 -9.200 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -9.223 -0.095 -7.489 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -9.658 0.850 -6.061 1.00 0.00 H new ATOM 1855 N ARG A 119 -4.503 -2.545 -7.128 1.00 0.00 N ATOM 1856 CA ARG A 119 -4.376 -3.926 -6.678 1.00 0.00 C ATOM 1857 C ARG A 119 -3.229 -4.069 -5.682 1.00 0.00 C ATOM 1858 O ARG A 119 -3.348 -4.771 -4.677 1.00 0.00 O ATOM 1859 CB ARG A 119 -4.149 -4.854 -7.872 1.00 0.00 C ATOM 1860 CG ARG A 119 -3.794 -6.279 -7.477 1.00 0.00 C ATOM 1861 CD ARG A 119 -5.030 -7.072 -7.082 1.00 0.00 C ATOM 1862 NE ARG A 119 -5.894 -7.345 -8.228 1.00 0.00 N ATOM 1863 CZ ARG A 119 -6.986 -8.097 -8.161 1.00 0.00 C ATOM 1864 NH1 ARG A 119 -7.347 -8.649 -7.011 1.00 0.00 N ATOM 1865 NH2 ARG A 119 -7.721 -8.299 -9.248 1.00 0.00 N ATOM 0 H ARG A 119 -3.843 -2.277 -7.858 1.00 0.00 H new ATOM 0 HA ARG A 119 -5.304 -4.207 -6.180 1.00 0.00 H new ATOM 0 HB2 ARG A 119 -5.050 -4.870 -8.486 1.00 0.00 H new ATOM 0 HB3 ARG A 119 -3.349 -4.447 -8.491 1.00 0.00 H new ATOM 0 HG2 ARG A 119 -3.293 -6.774 -8.309 1.00 0.00 H new ATOM 0 HG3 ARG A 119 -3.090 -6.262 -6.645 1.00 0.00 H new ATOM 0 HD2 ARG A 119 -4.726 -8.014 -6.625 1.00 0.00 H new ATOM 0 HD3 ARG A 119 -5.591 -6.518 -6.329 1.00 0.00 H new ATOM 0 HE ARG A 119 -5.645 -6.936 -9.128 1.00 0.00 H new ATOM 0 HH11 ARG A 119 -6.785 -8.497 -6.174 1.00 0.00 H new ATOM 0 HH12 ARG A 119 -8.187 -9.226 -6.964 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -7.447 -7.876 -10.135 1.00 0.00 H new ATOM 0 HH22 ARG A 119 -8.560 -8.877 -9.196 1.00 0.00 H new ATOM 1879 N THR A 120 -2.116 -3.400 -5.968 1.00 0.00 N ATOM 1880 CA THR A 120 -0.947 -3.454 -5.100 1.00 0.00 C ATOM 1881 C THR A 120 -1.339 -3.275 -3.638 1.00 0.00 C ATOM 1882 O THR A 120 -0.752 -3.890 -2.747 1.00 0.00 O ATOM 1883 CB THR A 120 0.085 -2.375 -5.479 1.00 0.00 C ATOM 1884 OG1 THR A 120 0.759 -2.746 -6.687 1.00 0.00 O ATOM 1885 CG2 THR A 120 1.101 -2.182 -4.363 1.00 0.00 C ATOM 0 H THR A 120 -2.000 -2.814 -6.795 1.00 0.00 H new ATOM 0 HA THR A 120 -0.499 -4.438 -5.235 1.00 0.00 H new ATOM 0 HB THR A 120 -0.444 -1.435 -5.633 1.00 0.00 H new ATOM 0 HG1 THR A 120 0.866 -3.720 -6.716 1.00 0.00 H new ATOM 0 HG21 THR A 120 1.819 -1.415 -4.654 1.00 0.00 H new ATOM 0 HG22 THR A 120 0.587 -1.872 -3.453 1.00 0.00 H new ATOM 0 HG23 THR A 120 1.625 -3.120 -4.182 1.00 0.00 H new ATOM 1893 N LEU A 121 -2.335 -2.429 -3.397 1.00 0.00 N ATOM 1894 CA LEU A 121 -2.807 -2.169 -2.041 1.00 0.00 C ATOM 1895 C LEU A 121 -3.503 -3.397 -1.462 1.00 0.00 C ATOM 1896 O LEU A 121 -3.121 -3.898 -0.405 1.00 0.00 O ATOM 1897 CB LEU A 121 -3.763 -0.975 -2.033 1.00 0.00 C ATOM 1898 CG LEU A 121 -3.133 0.391 -2.304 1.00 0.00 C ATOM 1899 CD1 LEU A 121 -4.155 1.500 -2.103 1.00 0.00 C ATOM 1900 CD2 LEU A 121 -1.924 0.609 -1.406 1.00 0.00 C ATOM 0 H LEU A 121 -2.831 -1.912 -4.123 1.00 0.00 H new ATOM 0 HA LEU A 121 -1.942 -1.938 -1.419 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -4.537 -1.150 -2.780 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -4.258 -0.938 -1.063 1.00 0.00 H new ATOM 0 HG LEU A 121 -2.799 0.416 -3.341 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -3.688 2.465 -2.300 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -4.990 1.354 -2.788 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -4.520 1.477 -1.076 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -1.489 1.587 -1.613 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -2.233 0.563 -0.362 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -1.183 -0.167 -1.599 1.00 0.00 H new ATOM 1912 N MET A 122 -4.526 -3.876 -2.162 1.00 0.00 N ATOM 1913 CA MET A 122 -5.273 -5.047 -1.719 1.00 0.00 C ATOM 1914 C MET A 122 -4.333 -6.116 -1.170 1.00 0.00 C ATOM 1915 O MET A 122 -4.649 -6.790 -0.190 1.00 0.00 O ATOM 1916 CB MET A 122 -6.097 -5.620 -2.874 1.00 0.00 C ATOM 1917 CG MET A 122 -7.350 -4.818 -3.183 1.00 0.00 C ATOM 1918 SD MET A 122 -8.510 -4.781 -1.803 1.00 0.00 S ATOM 1919 CE MET A 122 -9.045 -6.491 -1.765 1.00 0.00 C ATOM 0 H MET A 122 -4.856 -3.471 -3.038 1.00 0.00 H new ATOM 0 HA MET A 122 -5.947 -4.736 -0.921 1.00 0.00 H new ATOM 0 HB2 MET A 122 -5.474 -5.664 -3.767 1.00 0.00 H new ATOM 0 HB3 MET A 122 -6.381 -6.644 -2.633 1.00 0.00 H new ATOM 0 HG2 MET A 122 -7.068 -3.798 -3.443 1.00 0.00 H new ATOM 0 HG3 MET A 122 -7.844 -5.245 -4.056 1.00 0.00 H new ATOM 0 HE1 MET A 122 -10.134 -6.531 -1.724 1.00 0.00 H new ATOM 0 HE2 MET A 122 -8.696 -7.001 -2.663 1.00 0.00 H new ATOM 0 HE3 MET A 122 -8.631 -6.982 -0.885 1.00 0.00 H new ATOM 1929 N ASN A 123 -3.177 -6.266 -1.809 1.00 0.00 N ATOM 1930 CA ASN A 123 -2.192 -7.254 -1.384 1.00 0.00 C ATOM 1931 C ASN A 123 -1.634 -6.908 -0.007 1.00 0.00 C ATOM 1932 O ASN A 123 -1.419 -7.789 0.827 1.00 0.00 O ATOM 1933 CB ASN A 123 -1.053 -7.338 -2.402 1.00 0.00 C ATOM 1934 CG ASN A 123 -1.468 -8.046 -3.677 1.00 0.00 C ATOM 1935 OD1 ASN A 123 -1.992 -9.159 -3.640 1.00 0.00 O ATOM 1936 ND2 ASN A 123 -1.233 -7.401 -4.814 1.00 0.00 N ATOM 0 H ASN A 123 -2.900 -5.716 -2.622 1.00 0.00 H new ATOM 0 HA ASN A 123 -2.688 -8.223 -1.322 1.00 0.00 H new ATOM 0 HB2 ASN A 123 -0.710 -6.332 -2.643 1.00 0.00 H new ATOM 0 HB3 ASN A 123 -0.209 -7.864 -1.956 1.00 0.00 H new ATOM 0 HD21 ASN A 123 -1.489 -7.827 -5.705 1.00 0.00 H new ATOM 0 HD22 ASN A 123 -0.796 -6.479 -4.797 1.00 0.00 H new ATOM 1943 N LEU A 124 -1.402 -5.621 0.226 1.00 0.00 N ATOM 1944 CA LEU A 124 -0.870 -5.158 1.502 1.00 0.00 C ATOM 1945 C LEU A 124 -1.775 -5.581 2.655 1.00 0.00 C ATOM 1946 O LEU A 124 -1.299 -5.954 3.727 1.00 0.00 O ATOM 1947 CB LEU A 124 -0.716 -3.636 1.491 1.00 0.00 C ATOM 1948 CG LEU A 124 0.279 -3.055 2.497 1.00 0.00 C ATOM 1949 CD1 LEU A 124 1.706 -3.236 2.002 1.00 0.00 C ATOM 1950 CD2 LEU A 124 -0.017 -1.584 2.750 1.00 0.00 C ATOM 0 H LEU A 124 -1.574 -4.879 -0.453 1.00 0.00 H new ATOM 0 HA LEU A 124 0.109 -5.615 1.647 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -0.412 -3.329 0.490 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -1.693 -3.191 1.678 1.00 0.00 H new ATOM 0 HG LEU A 124 0.172 -3.594 3.438 1.00 0.00 H new ATOM 0 HD11 LEU A 124 2.400 -2.817 2.731 1.00 0.00 H new ATOM 0 HD12 LEU A 124 1.914 -4.298 1.872 1.00 0.00 H new ATOM 0 HD13 LEU A 124 1.828 -2.723 1.048 1.00 0.00 H new ATOM 0 HD21 LEU A 124 0.700 -1.187 3.468 1.00 0.00 H new ATOM 0 HD22 LEU A 124 0.062 -1.031 1.814 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -1.026 -1.479 3.149 1.00 0.00 H new ATOM 1962 N GLY A 125 -3.083 -5.521 2.426 1.00 0.00 N ATOM 1963 CA GLY A 125 -4.034 -5.902 3.454 1.00 0.00 C ATOM 1964 C GLY A 125 -4.130 -7.405 3.627 1.00 0.00 C ATOM 1965 O GLY A 125 -4.003 -7.918 4.738 1.00 0.00 O ATOM 0 H GLY A 125 -3.501 -5.215 1.547 1.00 0.00 H new ATOM 0 HA2 GLY A 125 -3.742 -5.448 4.401 1.00 0.00 H new ATOM 0 HA3 GLY A 125 -5.017 -5.505 3.200 1.00 0.00 H new ATOM 1969 N GLY A 126 -4.355 -8.113 2.525 1.00 0.00 N ATOM 1970 CA GLY A 126 -4.466 -9.559 2.581 1.00 0.00 C ATOM 1971 C GLY A 126 -3.284 -10.204 3.279 1.00 0.00 C ATOM 1972 O GLY A 126 -3.437 -11.209 3.974 1.00 0.00 O ATOM 0 H GLY A 126 -4.462 -7.711 1.594 1.00 0.00 H new ATOM 0 HA2 GLY A 126 -5.384 -9.830 3.102 1.00 0.00 H new ATOM 0 HA3 GLY A 126 -4.546 -9.954 1.568 1.00 0.00 H new ATOM 1976 N LEU A 127 -2.102 -9.626 3.093 1.00 0.00 N ATOM 1977 CA LEU A 127 -0.889 -10.152 3.709 1.00 0.00 C ATOM 1978 C LEU A 127 -0.890 -9.904 5.213 1.00 0.00 C ATOM 1979 O LEU A 127 -0.599 -10.803 6.001 1.00 0.00 O ATOM 1980 CB LEU A 127 0.347 -9.510 3.075 1.00 0.00 C ATOM 1981 CG LEU A 127 0.744 -10.036 1.696 1.00 0.00 C ATOM 1982 CD1 LEU A 127 1.421 -8.944 0.882 1.00 0.00 C ATOM 1983 CD2 LEU A 127 1.656 -11.247 1.829 1.00 0.00 C ATOM 0 H LEU A 127 -1.958 -8.794 2.521 1.00 0.00 H new ATOM 0 HA LEU A 127 -0.861 -11.228 3.538 1.00 0.00 H new ATOM 0 HB2 LEU A 127 0.174 -8.437 2.996 1.00 0.00 H new ATOM 0 HB3 LEU A 127 1.191 -9.648 3.751 1.00 0.00 H new ATOM 0 HG LEU A 127 -0.161 -10.343 1.172 1.00 0.00 H new ATOM 0 HD11 LEU A 127 1.696 -9.337 -0.097 1.00 0.00 H new ATOM 0 HD12 LEU A 127 0.736 -8.106 0.756 1.00 0.00 H new ATOM 0 HD13 LEU A 127 2.317 -8.605 1.402 1.00 0.00 H new ATOM 0 HD21 LEU A 127 1.928 -11.608 0.837 1.00 0.00 H new ATOM 0 HD22 LEU A 127 2.558 -10.965 2.373 1.00 0.00 H new ATOM 0 HD23 LEU A 127 1.136 -12.036 2.372 1.00 0.00 H new ATOM 1995 N ALA A 128 -1.222 -8.678 5.605 1.00 0.00 N ATOM 1996 CA ALA A 128 -1.266 -8.312 7.016 1.00 0.00 C ATOM 1997 C ALA A 128 -2.215 -9.221 7.789 1.00 0.00 C ATOM 1998 O ALA A 128 -1.889 -9.694 8.878 1.00 0.00 O ATOM 1999 CB ALA A 128 -1.682 -6.857 7.171 1.00 0.00 C ATOM 0 H ALA A 128 -1.464 -7.921 4.965 1.00 0.00 H new ATOM 0 HA ALA A 128 -0.266 -8.438 7.430 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -1.711 -6.598 8.229 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -0.963 -6.217 6.660 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -2.671 -6.713 6.735 1.00 0.00 H new ATOM 2005 N VAL A 129 -3.392 -9.462 7.220 1.00 0.00 N ATOM 2006 CA VAL A 129 -4.389 -10.315 7.856 1.00 0.00 C ATOM 2007 C VAL A 129 -3.873 -11.741 8.012 1.00 0.00 C ATOM 2008 O VAL A 129 -4.450 -12.544 8.744 1.00 0.00 O ATOM 2009 CB VAL A 129 -5.702 -10.341 7.050 1.00 0.00 C ATOM 2010 CG1 VAL A 129 -6.682 -11.333 7.659 1.00 0.00 C ATOM 2011 CG2 VAL A 129 -6.312 -8.949 6.982 1.00 0.00 C ATOM 0 H VAL A 129 -3.678 -9.078 6.319 1.00 0.00 H new ATOM 0 HA VAL A 129 -4.585 -9.893 8.842 1.00 0.00 H new ATOM 0 HB VAL A 129 -5.479 -10.665 6.033 1.00 0.00 H new ATOM 0 HG11 VAL A 129 -7.604 -11.338 7.077 1.00 0.00 H new ATOM 0 HG12 VAL A 129 -6.242 -12.330 7.651 1.00 0.00 H new ATOM 0 HG13 VAL A 129 -6.903 -11.042 8.686 1.00 0.00 H new ATOM 0 HG21 VAL A 129 -7.239 -8.985 6.409 1.00 0.00 H new ATOM 0 HG22 VAL A 129 -6.523 -8.594 7.991 1.00 0.00 H new ATOM 0 HG23 VAL A 129 -5.612 -8.268 6.497 1.00 0.00 H new ATOM 2021 N ALA A 130 -2.781 -12.049 7.319 1.00 0.00 N ATOM 2022 CA ALA A 130 -2.185 -13.378 7.382 1.00 0.00 C ATOM 2023 C ALA A 130 -1.115 -13.448 8.466 1.00 0.00 C ATOM 2024 O ALA A 130 -0.562 -14.514 8.737 1.00 0.00 O ATOM 2025 CB ALA A 130 -1.597 -13.757 6.031 1.00 0.00 C ATOM 0 H ALA A 130 -2.291 -11.396 6.707 1.00 0.00 H new ATOM 0 HA ALA A 130 -2.970 -14.090 7.636 1.00 0.00 H new ATOM 0 HB1 ALA A 130 -1.155 -14.752 6.093 1.00 0.00 H new ATOM 0 HB2 ALA A 130 -2.385 -13.756 5.278 1.00 0.00 H new ATOM 0 HB3 ALA A 130 -0.829 -13.035 5.753 1.00 0.00 H new ATOM 2031 N ARG A 131 -0.828 -12.306 9.083 1.00 0.00 N ATOM 2032 CA ARG A 131 0.178 -12.239 10.136 1.00 0.00 C ATOM 2033 C ARG A 131 -0.449 -12.492 11.504 1.00 0.00 C ATOM 2034 O ARG A 131 -1.663 -12.668 11.618 1.00 0.00 O ATOM 2035 CB ARG A 131 0.869 -10.874 10.124 1.00 0.00 C ATOM 2036 CG ARG A 131 1.134 -10.337 8.727 1.00 0.00 C ATOM 2037 CD ARG A 131 2.447 -10.862 8.169 1.00 0.00 C ATOM 2038 NE ARG A 131 2.565 -12.310 8.317 1.00 0.00 N ATOM 2039 CZ ARG A 131 1.981 -13.183 7.504 1.00 0.00 C ATOM 2040 NH1 ARG A 131 1.243 -12.756 6.489 1.00 0.00 N ATOM 2041 NH2 ARG A 131 2.136 -14.485 7.704 1.00 0.00 N ATOM 0 H ARG A 131 -1.278 -11.415 8.872 1.00 0.00 H new ATOM 0 HA ARG A 131 0.919 -13.016 9.946 1.00 0.00 H new ATOM 0 HB2 ARG A 131 0.252 -10.159 10.668 1.00 0.00 H new ATOM 0 HB3 ARG A 131 1.815 -10.951 10.660 1.00 0.00 H new ATOM 0 HG2 ARG A 131 0.316 -10.622 8.065 1.00 0.00 H new ATOM 0 HG3 ARG A 131 1.158 -9.248 8.753 1.00 0.00 H new ATOM 0 HD2 ARG A 131 2.524 -10.598 7.114 1.00 0.00 H new ATOM 0 HD3 ARG A 131 3.278 -10.376 8.680 1.00 0.00 H new ATOM 0 HE ARG A 131 3.127 -12.671 9.088 1.00 0.00 H new ATOM 0 HH11 ARG A 131 1.123 -11.755 6.331 1.00 0.00 H new ATOM 0 HH12 ARG A 131 0.795 -13.428 5.866 1.00 0.00 H new ATOM 0 HH21 ARG A 131 2.704 -14.817 8.483 1.00 0.00 H new ATOM 0 HH22 ARG A 131 1.687 -15.154 7.079 1.00 0.00 H new ATOM 2055 N ASP A 132 0.385 -12.508 12.537 1.00 0.00 N ATOM 2056 CA ASP A 132 -0.088 -12.739 13.898 1.00 0.00 C ATOM 2057 C ASP A 132 0.385 -11.631 14.833 1.00 0.00 C ATOM 2058 O ASP A 132 0.318 -11.765 16.054 1.00 0.00 O ATOM 2059 CB ASP A 132 0.401 -14.096 14.407 1.00 0.00 C ATOM 2060 CG ASP A 132 -0.566 -15.218 14.084 1.00 0.00 C ATOM 2061 OD1 ASP A 132 -1.741 -15.124 14.494 1.00 0.00 O ATOM 2062 OD2 ASP A 132 -0.146 -16.191 13.423 1.00 0.00 O ATOM 0 H ASP A 132 1.392 -12.364 12.459 1.00 0.00 H new ATOM 0 HA ASP A 132 -1.178 -12.736 13.883 1.00 0.00 H new ATOM 0 HB2 ASP A 132 1.372 -14.318 13.964 1.00 0.00 H new ATOM 0 HB3 ASP A 132 0.547 -14.045 15.486 1.00 0.00 H new ATOM 2067 N ASP A 133 0.864 -10.537 14.250 1.00 0.00 N ATOM 2068 CA ASP A 133 1.348 -9.404 15.031 1.00 0.00 C ATOM 2069 C ASP A 133 0.206 -8.744 15.796 1.00 0.00 C ATOM 2070 O ASP A 133 0.398 -8.231 16.898 1.00 0.00 O ATOM 2071 CB ASP A 133 2.026 -8.381 14.119 1.00 0.00 C ATOM 2072 CG ASP A 133 3.126 -7.614 14.826 1.00 0.00 C ATOM 2073 OD1 ASP A 133 3.995 -8.261 15.446 1.00 0.00 O ATOM 2074 OD2 ASP A 133 3.118 -6.367 14.759 1.00 0.00 O ATOM 0 H ASP A 133 0.927 -10.411 13.240 1.00 0.00 H new ATOM 0 HA ASP A 133 2.077 -9.776 15.751 1.00 0.00 H new ATOM 0 HB2 ASP A 133 2.443 -8.892 13.252 1.00 0.00 H new ATOM 0 HB3 ASP A 133 1.279 -7.679 13.747 1.00 0.00 H new ATOM 2079 N GLY A 134 -0.984 -8.759 15.203 1.00 0.00 N ATOM 2080 CA GLY A 134 -2.139 -8.157 15.843 1.00 0.00 C ATOM 2081 C GLY A 134 -2.159 -6.648 15.702 1.00 0.00 C ATOM 2082 O GLY A 134 -2.632 -5.940 16.593 1.00 0.00 O ATOM 0 H GLY A 134 -1.169 -9.177 14.291 1.00 0.00 H new ATOM 0 HA2 GLY A 134 -3.049 -8.572 15.408 1.00 0.00 H new ATOM 0 HA3 GLY A 134 -2.143 -8.420 16.901 1.00 0.00 H new ATOM 2086 N LEU A 135 -1.644 -6.153 14.583 1.00 0.00 N ATOM 2087 CA LEU A 135 -1.603 -4.716 14.329 1.00 0.00 C ATOM 2088 C LEU A 135 -2.654 -4.315 13.299 1.00 0.00 C ATOM 2089 O LEU A 135 -3.371 -3.331 13.479 1.00 0.00 O ATOM 2090 CB LEU A 135 -0.213 -4.304 13.843 1.00 0.00 C ATOM 2091 CG LEU A 135 0.919 -4.427 14.864 1.00 0.00 C ATOM 2092 CD1 LEU A 135 2.190 -3.783 14.332 1.00 0.00 C ATOM 2093 CD2 LEU A 135 0.513 -3.795 16.188 1.00 0.00 C ATOM 0 H LEU A 135 -1.249 -6.725 13.836 1.00 0.00 H new ATOM 0 HA LEU A 135 -1.822 -4.200 15.264 1.00 0.00 H new ATOM 0 HB2 LEU A 135 0.041 -4.911 12.974 1.00 0.00 H new ATOM 0 HB3 LEU A 135 -0.260 -3.269 13.506 1.00 0.00 H new ATOM 0 HG LEU A 135 1.116 -5.485 15.034 1.00 0.00 H new ATOM 0 HD11 LEU A 135 2.984 -3.880 15.072 1.00 0.00 H new ATOM 0 HD12 LEU A 135 2.491 -4.279 13.409 1.00 0.00 H new ATOM 0 HD13 LEU A 135 2.007 -2.727 14.133 1.00 0.00 H new ATOM 0 HD21 LEU A 135 1.330 -3.891 16.903 1.00 0.00 H new ATOM 0 HD22 LEU A 135 0.289 -2.740 16.034 1.00 0.00 H new ATOM 0 HD23 LEU A 135 -0.371 -4.301 16.577 1.00 0.00 H new ATOM 2105 N PHE A 136 -2.741 -5.085 12.219 1.00 0.00 N ATOM 2106 CA PHE A 136 -3.706 -4.811 11.160 1.00 0.00 C ATOM 2107 C PHE A 136 -5.025 -4.313 11.742 1.00 0.00 C ATOM 2108 O PHE A 136 -5.405 -4.684 12.853 1.00 0.00 O ATOM 2109 CB PHE A 136 -3.946 -6.068 10.322 1.00 0.00 C ATOM 2110 CG PHE A 136 -5.249 -6.050 9.574 1.00 0.00 C ATOM 2111 CD1 PHE A 136 -6.407 -6.532 10.162 1.00 0.00 C ATOM 2112 CD2 PHE A 136 -5.315 -5.549 8.284 1.00 0.00 C ATOM 2113 CE1 PHE A 136 -7.607 -6.517 9.476 1.00 0.00 C ATOM 2114 CE2 PHE A 136 -6.512 -5.531 7.593 1.00 0.00 C ATOM 2115 CZ PHE A 136 -7.659 -6.015 8.190 1.00 0.00 C ATOM 0 H PHE A 136 -2.155 -5.903 12.054 1.00 0.00 H new ATOM 0 HA PHE A 136 -3.294 -4.030 10.520 1.00 0.00 H new ATOM 0 HB2 PHE A 136 -3.129 -6.182 9.610 1.00 0.00 H new ATOM 0 HB3 PHE A 136 -3.923 -6.940 10.975 1.00 0.00 H new ATOM 0 HD1 PHE A 136 -6.372 -6.924 11.168 1.00 0.00 H new ATOM 0 HD2 PHE A 136 -4.421 -5.168 7.813 1.00 0.00 H new ATOM 0 HE1 PHE A 136 -8.503 -6.897 9.945 1.00 0.00 H new ATOM 0 HE2 PHE A 136 -6.550 -5.139 6.587 1.00 0.00 H new ATOM 0 HZ PHE A 136 -8.596 -6.001 7.652 1.00 0.00 H new ATOM 2125 N SER A 137 -5.719 -3.470 10.984 1.00 0.00 N ATOM 2126 CA SER A 137 -6.995 -2.918 11.425 1.00 0.00 C ATOM 2127 C SER A 137 -8.076 -3.138 10.371 1.00 0.00 C ATOM 2128 O SER A 137 -7.813 -3.686 9.301 1.00 0.00 O ATOM 2129 CB SER A 137 -6.852 -1.423 11.721 1.00 0.00 C ATOM 2130 OG SER A 137 -6.464 -1.205 13.066 1.00 0.00 O ATOM 0 H SER A 137 -5.419 -3.154 10.062 1.00 0.00 H new ATOM 0 HA SER A 137 -7.291 -3.436 12.337 1.00 0.00 H new ATOM 0 HB2 SER A 137 -6.113 -0.985 11.050 1.00 0.00 H new ATOM 0 HB3 SER A 137 -7.798 -0.918 11.526 1.00 0.00 H new ATOM 0 HG SER A 137 -6.378 -0.243 13.230 1.00 0.00 H new ATOM 2136 N GLY A 138 -9.294 -2.708 10.684 1.00 0.00 N ATOM 2137 CA GLY A 138 -10.398 -2.867 9.755 1.00 0.00 C ATOM 2138 C GLY A 138 -10.858 -4.307 9.642 1.00 0.00 C ATOM 2139 O GLY A 138 -10.166 -5.223 10.087 1.00 0.00 O ATOM 0 H GLY A 138 -9.536 -2.252 11.564 1.00 0.00 H new ATOM 0 HA2 GLY A 138 -11.233 -2.246 10.079 1.00 0.00 H new ATOM 0 HA3 GLY A 138 -10.096 -2.507 8.771 1.00 0.00 H new ATOM 2143 N ASP A 139 -12.027 -4.507 9.045 1.00 0.00 N ATOM 2144 CA ASP A 139 -12.579 -5.847 8.875 1.00 0.00 C ATOM 2145 C ASP A 139 -11.607 -6.742 8.114 1.00 0.00 C ATOM 2146 O ASP A 139 -11.171 -6.427 7.007 1.00 0.00 O ATOM 2147 CB ASP A 139 -13.916 -5.780 8.135 1.00 0.00 C ATOM 2148 CG ASP A 139 -15.088 -5.576 9.075 1.00 0.00 C ATOM 2149 OD1 ASP A 139 -15.189 -4.482 9.668 1.00 0.00 O ATOM 2150 OD2 ASP A 139 -15.904 -6.511 9.218 1.00 0.00 O ATOM 0 H ASP A 139 -12.611 -3.759 8.671 1.00 0.00 H new ATOM 0 HA ASP A 139 -12.741 -6.275 9.864 1.00 0.00 H new ATOM 0 HB2 ASP A 139 -13.887 -4.965 7.412 1.00 0.00 H new ATOM 0 HB3 ASP A 139 -14.062 -6.701 7.571 1.00 0.00 H new ATOM 2155 N PRO A 140 -11.256 -7.886 8.721 1.00 0.00 N ATOM 2156 CA PRO A 140 -10.331 -8.850 8.119 1.00 0.00 C ATOM 2157 C PRO A 140 -10.938 -9.561 6.914 1.00 0.00 C ATOM 2158 O PRO A 140 -10.225 -10.169 6.117 1.00 0.00 O ATOM 2159 CB PRO A 140 -10.070 -9.846 9.251 1.00 0.00 C ATOM 2160 CG PRO A 140 -11.276 -9.755 10.122 1.00 0.00 C ATOM 2161 CD PRO A 140 -11.737 -8.326 10.041 1.00 0.00 C ATOM 0 HA PRO A 140 -9.430 -8.368 7.741 1.00 0.00 H new ATOM 0 HB2 PRO A 140 -9.935 -10.857 8.866 1.00 0.00 H new ATOM 0 HB3 PRO A 140 -9.164 -9.591 9.801 1.00 0.00 H new ATOM 0 HG2 PRO A 140 -12.056 -10.437 9.782 1.00 0.00 H new ATOM 0 HG3 PRO A 140 -11.037 -10.031 11.149 1.00 0.00 H new ATOM 0 HD2 PRO A 140 -12.821 -8.249 10.120 1.00 0.00 H new ATOM 0 HD3 PRO A 140 -11.315 -7.722 10.844 1.00 0.00 H new ATOM 2169 N ASN A 141 -12.258 -9.479 6.787 1.00 0.00 N ATOM 2170 CA ASN A 141 -12.961 -10.115 5.679 1.00 0.00 C ATOM 2171 C ASN A 141 -12.594 -9.456 4.353 1.00 0.00 C ATOM 2172 O ASN A 141 -12.323 -10.137 3.363 1.00 0.00 O ATOM 2173 CB ASN A 141 -14.473 -10.042 5.897 1.00 0.00 C ATOM 2174 CG ASN A 141 -14.852 -10.144 7.362 1.00 0.00 C ATOM 2175 OD1 ASN A 141 -14.551 -11.137 8.024 1.00 0.00 O ATOM 2176 ND2 ASN A 141 -15.516 -9.115 7.874 1.00 0.00 N ATOM 0 H ASN A 141 -12.863 -8.978 7.438 1.00 0.00 H new ATOM 0 HA ASN A 141 -12.657 -11.161 5.641 1.00 0.00 H new ATOM 0 HB2 ASN A 141 -14.851 -9.103 5.491 1.00 0.00 H new ATOM 0 HB3 ASN A 141 -14.956 -10.846 5.343 1.00 0.00 H new ATOM 0 HD21 ASN A 141 -15.798 -9.127 8.854 1.00 0.00 H new ATOM 0 HD22 ASN A 141 -15.744 -8.312 7.287 1.00 0.00 H new ATOM 2183 N TRP A 142 -12.587 -8.128 4.341 1.00 0.00 N ATOM 2184 CA TRP A 142 -12.252 -7.377 3.136 1.00 0.00 C ATOM 2185 C TRP A 142 -11.182 -8.098 2.324 1.00 0.00 C ATOM 2186 O TRP A 142 -11.330 -8.291 1.117 1.00 0.00 O ATOM 2187 CB TRP A 142 -11.771 -5.972 3.503 1.00 0.00 C ATOM 2188 CG TRP A 142 -12.862 -5.090 4.030 1.00 0.00 C ATOM 2189 CD1 TRP A 142 -14.196 -5.181 3.752 1.00 0.00 C ATOM 2190 CD2 TRP A 142 -12.711 -3.981 4.924 1.00 0.00 C ATOM 2191 NE1 TRP A 142 -14.883 -4.195 4.420 1.00 0.00 N ATOM 2192 CE2 TRP A 142 -13.995 -3.447 5.146 1.00 0.00 C ATOM 2193 CE3 TRP A 142 -11.616 -3.390 5.560 1.00 0.00 C ATOM 2194 CZ2 TRP A 142 -14.211 -2.350 5.976 1.00 0.00 C ATOM 2195 CZ3 TRP A 142 -11.832 -2.301 6.383 1.00 0.00 C ATOM 2196 CH2 TRP A 142 -13.121 -1.790 6.585 1.00 0.00 C ATOM 0 H TRP A 142 -12.809 -7.549 5.151 1.00 0.00 H new ATOM 0 HA TRP A 142 -13.152 -7.298 2.526 1.00 0.00 H new ATOM 0 HB2 TRP A 142 -10.983 -6.050 4.252 1.00 0.00 H new ATOM 0 HB3 TRP A 142 -11.330 -5.505 2.622 1.00 0.00 H new ATOM 0 HD1 TRP A 142 -14.645 -5.919 3.103 1.00 0.00 H new ATOM 0 HE1 TRP A 142 -15.891 -4.045 4.381 1.00 0.00 H new ATOM 0 HE3 TRP A 142 -10.619 -3.777 5.411 1.00 0.00 H new ATOM 0 HZ2 TRP A 142 -15.204 -1.955 6.134 1.00 0.00 H new ATOM 0 HZ3 TRP A 142 -10.993 -1.836 6.879 1.00 0.00 H new ATOM 0 HH2 TRP A 142 -13.257 -0.938 7.234 1.00 0.00 H new ATOM 2207 N PHE A 143 -10.105 -8.495 2.993 1.00 0.00 N ATOM 2208 CA PHE A 143 -9.009 -9.195 2.332 1.00 0.00 C ATOM 2209 C PHE A 143 -8.993 -10.670 2.722 1.00 0.00 C ATOM 2210 O PHE A 143 -9.307 -11.043 3.852 1.00 0.00 O ATOM 2211 CB PHE A 143 -7.671 -8.546 2.691 1.00 0.00 C ATOM 2212 CG PHE A 143 -7.714 -7.044 2.693 1.00 0.00 C ATOM 2213 CD1 PHE A 143 -7.514 -6.331 1.522 1.00 0.00 C ATOM 2214 CD2 PHE A 143 -7.956 -6.346 3.865 1.00 0.00 C ATOM 2215 CE1 PHE A 143 -7.552 -4.949 1.521 1.00 0.00 C ATOM 2216 CE2 PHE A 143 -7.996 -4.965 3.870 1.00 0.00 C ATOM 2217 CZ PHE A 143 -7.795 -4.265 2.696 1.00 0.00 C ATOM 0 H PHE A 143 -9.967 -8.344 3.992 1.00 0.00 H new ATOM 0 HA PHE A 143 -9.162 -9.123 1.255 1.00 0.00 H new ATOM 0 HB2 PHE A 143 -7.360 -8.894 3.676 1.00 0.00 H new ATOM 0 HB3 PHE A 143 -6.913 -8.879 1.982 1.00 0.00 H new ATOM 0 HD1 PHE A 143 -7.326 -6.861 0.600 1.00 0.00 H new ATOM 0 HD2 PHE A 143 -8.115 -6.888 4.786 1.00 0.00 H new ATOM 0 HE1 PHE A 143 -7.392 -4.405 0.602 1.00 0.00 H new ATOM 0 HE2 PHE A 143 -8.184 -4.433 4.791 1.00 0.00 H new ATOM 0 HZ PHE A 143 -7.828 -3.185 2.697 1.00 0.00 H new ATOM 2227 N PRO A 144 -8.618 -11.530 1.763 1.00 0.00 N ATOM 2228 CA PRO A 144 -8.551 -12.978 1.981 1.00 0.00 C ATOM 2229 C PRO A 144 -7.413 -13.372 2.916 1.00 0.00 C ATOM 2230 O PRO A 144 -6.268 -12.958 2.727 1.00 0.00 O ATOM 2231 CB PRO A 144 -8.308 -13.538 0.577 1.00 0.00 C ATOM 2232 CG PRO A 144 -7.650 -12.426 -0.164 1.00 0.00 C ATOM 2233 CD PRO A 144 -8.230 -11.155 0.393 1.00 0.00 C ATOM 0 HA PRO A 144 -9.454 -13.360 2.457 1.00 0.00 H new ATOM 0 HB2 PRO A 144 -7.673 -14.424 0.608 1.00 0.00 H new ATOM 0 HB3 PRO A 144 -9.243 -13.833 0.101 1.00 0.00 H new ATOM 0 HG2 PRO A 144 -6.569 -12.453 -0.029 1.00 0.00 H new ATOM 0 HG3 PRO A 144 -7.839 -12.505 -1.235 1.00 0.00 H new ATOM 0 HD2 PRO A 144 -7.501 -10.345 0.389 1.00 0.00 H new ATOM 0 HD3 PRO A 144 -9.087 -10.815 -0.189 1.00 0.00 H new