USER MOD reduce.3.24.130724 H: found=0, std=0, add=523, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 515 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 74 LYS NZ :NH3+ -108:sc= 1.91 (180deg=0.497) USER MOD Set 1.2: A 75 TYR OH : rot 180:sc= 0.81 USER MOD Set 2.1: A 60 CYS SG : rot 124:sc= 1.73 USER MOD Set 2.2: A 68 CYS SG : rot 110:sc= -0.455 USER MOD Set 2.3: A 73 CYS SG : rot -22:sc= 0.721 USER MOD Set 2.4: A 77 HIS :FLIP no HD1:sc= -3.32 F(o=-2.1,f=-1.3) USER MOD Set 3.1: A 26 CYS SG : rot 128:sc= 0.336 USER MOD Set 3.2: A 34 CYS SG : rot -153:sc= 0.609 USER MOD Set 3.3: A 41 CYS SG : rot 150:sc= -0.682 USER MOD Set 3.4: A 45 HIS :FLIP no HD1:sc= -1.43 F(o=-2.9,f=-1.2) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -3.34! C(o=-3.3!,f=-9.9!) USER MOD Single : A 30 GLN : amide:sc= -0.58 X(o=-0.58,f=-0.95) USER MOD Single : A 33 THR OG1 : rot -52:sc= 1.01 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0498) USER MOD Single : A 48 LYS NZ :NH3+ -166:sc=-0.00454 (180deg=-0.098) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 CYS SG : rot -72:sc= -1.97 USER MOD Single : A 51 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 54 ASN : amide:sc= -0.0382 K(o=-0.038,f=-1.1) USER MOD Single : A 63 SER OG : rot -50:sc= -0.169 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc=-0.000728 X(o=-0.00073,f=-0.087) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 HIS :FLIP no HE2:sc= -12.4! C(o=-14!,f=-12!) USER MOD Single : A 83 LYS NZ :NH3+ 149:sc= 0.25 (180deg=0.0194) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= -0.67 K(o=-0.67,f=-3.1!) USER MOD ----------------------------------------------------------------- ATOM 192 N LEU A 21 -1.080 7.276 4.129 1.00 0.00 N ATOM 193 CA LEU A 21 -0.586 5.972 3.700 1.00 0.00 C ATOM 194 C LEU A 21 -0.941 4.894 4.719 1.00 0.00 C ATOM 195 O LEU A 21 -0.131 4.015 5.017 1.00 0.00 O ATOM 196 CB LEU A 21 0.929 6.020 3.498 1.00 0.00 C ATOM 197 CG LEU A 21 1.445 7.090 2.535 1.00 0.00 C ATOM 198 CD1 LEU A 21 2.919 7.369 2.786 1.00 0.00 C ATOM 199 CD2 LEU A 21 1.219 6.662 1.092 1.00 0.00 C ATOM 0 HA LEU A 21 -1.065 5.723 2.753 1.00 0.00 H new ATOM 0 HB2 LEU A 21 1.400 6.176 4.469 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.258 5.046 3.137 1.00 0.00 H new ATOM 0 HG LEU A 21 0.888 8.010 2.712 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.268 8.133 2.091 1.00 0.00 H new ATOM 0 HD12 LEU A 21 3.054 7.720 3.809 1.00 0.00 H new ATOM 0 HD13 LEU A 21 3.493 6.454 2.638 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.592 7.435 0.420 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.750 5.729 0.902 1.00 0.00 H new ATOM 0 HD23 LEU A 21 0.153 6.515 0.919 1.00 0.00 H new ATOM 211 N THR A 22 -2.158 4.964 5.248 1.00 0.00 N ATOM 212 CA THR A 22 -2.621 3.994 6.232 1.00 0.00 C ATOM 213 C THR A 22 -3.687 3.078 5.641 1.00 0.00 C ATOM 214 O THR A 22 -4.331 3.418 4.648 1.00 0.00 O ATOM 215 CB THR A 22 -3.194 4.690 7.481 1.00 0.00 C ATOM 216 OG1 THR A 22 -4.009 5.801 7.093 1.00 0.00 O ATOM 217 CG2 THR A 22 -2.075 5.169 8.394 1.00 0.00 C ATOM 0 H THR A 22 -2.841 5.683 5.011 1.00 0.00 H new ATOM 0 HA THR A 22 -1.754 3.400 6.522 1.00 0.00 H new ATOM 0 HB THR A 22 -3.802 3.968 8.026 1.00 0.00 H new ATOM 0 HG1 THR A 22 -4.371 6.237 7.893 1.00 0.00 H new ATOM 0 HG21 THR A 22 -2.503 5.657 9.269 1.00 0.00 H new ATOM 0 HG22 THR A 22 -1.474 4.317 8.712 1.00 0.00 H new ATOM 0 HG23 THR A 22 -1.444 5.877 7.856 1.00 0.00 H new ATOM 225 N LEU A 23 -3.870 1.916 6.259 1.00 0.00 N ATOM 226 CA LEU A 23 -4.860 0.951 5.794 1.00 0.00 C ATOM 227 C LEU A 23 -5.376 0.101 6.951 1.00 0.00 C ATOM 228 O LEU A 23 -4.695 -0.068 7.962 1.00 0.00 O ATOM 229 CB LEU A 23 -4.256 0.051 4.715 1.00 0.00 C ATOM 230 CG LEU A 23 -4.042 0.696 3.345 1.00 0.00 C ATOM 231 CD1 LEU A 23 -3.138 -0.171 2.482 1.00 0.00 C ATOM 232 CD2 LEU A 23 -5.376 0.934 2.653 1.00 0.00 C ATOM 0 H LEU A 23 -3.346 1.620 7.083 1.00 0.00 H new ATOM 0 HA LEU A 23 -5.699 1.503 5.370 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.296 -0.319 5.074 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -4.904 -0.816 4.589 1.00 0.00 H new ATOM 0 HG LEU A 23 -3.555 1.660 3.491 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.997 0.304 1.511 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.171 -0.289 2.972 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.597 -1.150 2.344 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -5.204 1.393 1.680 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -5.891 -0.017 2.519 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -5.990 1.596 3.264 1.00 0.00 H new ATOM 244 N GLU A 24 -6.583 -0.434 6.793 1.00 0.00 N ATOM 245 CA GLU A 24 -7.189 -1.268 7.825 1.00 0.00 C ATOM 246 C GLU A 24 -6.585 -2.670 7.816 1.00 0.00 C ATOM 247 O GLU A 24 -6.327 -3.240 6.756 1.00 0.00 O ATOM 248 CB GLU A 24 -8.703 -1.353 7.619 1.00 0.00 C ATOM 249 CG GLU A 24 -9.466 -0.192 8.236 1.00 0.00 C ATOM 250 CD GLU A 24 -10.795 0.061 7.551 1.00 0.00 C ATOM 251 OE1 GLU A 24 -11.783 -0.615 7.905 1.00 0.00 O ATOM 252 OE2 GLU A 24 -10.847 0.936 6.661 1.00 0.00 O ATOM 0 H GLU A 24 -7.160 -0.305 5.962 1.00 0.00 H new ATOM 0 HA GLU A 24 -6.986 -0.809 8.793 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -8.915 -1.389 6.550 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -9.068 -2.286 8.048 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -9.639 -0.396 9.293 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -8.856 0.709 8.181 1.00 0.00 H new ATOM 259 N VAL A 25 -6.360 -3.218 9.006 1.00 0.00 N ATOM 260 CA VAL A 25 -5.787 -4.552 9.136 1.00 0.00 C ATOM 261 C VAL A 25 -6.877 -5.618 9.169 1.00 0.00 C ATOM 262 O VAL A 25 -7.821 -5.532 9.955 1.00 0.00 O ATOM 263 CB VAL A 25 -4.928 -4.672 10.409 1.00 0.00 C ATOM 264 CG1 VAL A 25 -4.371 -6.080 10.547 1.00 0.00 C ATOM 265 CG2 VAL A 25 -3.807 -3.645 10.393 1.00 0.00 C ATOM 0 H VAL A 25 -6.566 -2.759 9.893 1.00 0.00 H new ATOM 0 HA VAL A 25 -5.154 -4.711 8.263 1.00 0.00 H new ATOM 0 HB VAL A 25 -5.561 -4.472 11.274 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -3.767 -6.145 11.452 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -5.194 -6.792 10.608 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -3.752 -6.313 9.680 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -3.210 -3.744 11.300 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -3.174 -3.811 9.522 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -4.233 -2.643 10.346 1.00 0.00 H new ATOM 275 N CYS A 26 -6.739 -6.624 8.312 1.00 0.00 N ATOM 276 CA CYS A 26 -7.711 -7.708 8.242 1.00 0.00 C ATOM 277 C CYS A 26 -7.953 -8.312 9.622 1.00 0.00 C ATOM 278 O CYS A 26 -7.054 -8.909 10.215 1.00 0.00 O ATOM 279 CB CYS A 26 -7.229 -8.792 7.276 1.00 0.00 C ATOM 280 SG CYS A 26 -8.414 -10.155 7.036 1.00 0.00 S ATOM 0 H CYS A 26 -5.963 -6.711 7.656 1.00 0.00 H new ATOM 0 HA CYS A 26 -8.651 -7.296 7.875 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -7.017 -8.334 6.310 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -6.290 -9.202 7.647 1.00 0.00 H new ATOM 0 HG CYS A 26 -8.622 -10.331 5.765 1.00 0.00 H new ATOM 285 N ARG A 27 -9.172 -8.153 10.127 1.00 0.00 N ATOM 286 CA ARG A 27 -9.531 -8.681 11.437 1.00 0.00 C ATOM 287 C ARG A 27 -9.151 -10.154 11.552 1.00 0.00 C ATOM 288 O ARG A 27 -8.506 -10.565 12.517 1.00 0.00 O ATOM 289 CB ARG A 27 -11.031 -8.510 11.686 1.00 0.00 C ATOM 290 CG ARG A 27 -11.402 -8.457 13.159 1.00 0.00 C ATOM 291 CD ARG A 27 -11.289 -9.826 13.811 1.00 0.00 C ATOM 292 NE ARG A 27 -11.916 -9.857 15.130 1.00 0.00 N ATOM 293 CZ ARG A 27 -13.231 -9.840 15.319 1.00 0.00 C ATOM 294 NH1 ARG A 27 -14.053 -9.794 14.279 1.00 0.00 N ATOM 295 NH2 ARG A 27 -13.726 -9.871 16.549 1.00 0.00 N ATOM 0 H ARG A 27 -9.928 -7.663 9.648 1.00 0.00 H new ATOM 0 HA ARG A 27 -8.978 -8.120 12.191 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -11.369 -7.594 11.202 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -11.565 -9.335 11.215 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -10.750 -7.752 13.675 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -12.421 -8.085 13.266 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -11.757 -10.573 13.170 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -10.238 -10.098 13.903 1.00 0.00 H new ATOM 0 HE ARG A 27 -11.311 -9.894 15.951 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -13.676 -9.772 13.332 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -15.062 -9.781 14.427 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -13.097 -9.908 17.351 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -14.736 -9.858 16.693 1.00 0.00 H new ATOM 309 N GLN A 28 -9.555 -10.944 10.562 1.00 0.00 N ATOM 310 CA GLN A 28 -9.258 -12.371 10.554 1.00 0.00 C ATOM 311 C GLN A 28 -7.754 -12.614 10.625 1.00 0.00 C ATOM 312 O GLN A 28 -7.278 -13.384 11.460 1.00 0.00 O ATOM 313 CB GLN A 28 -9.833 -13.026 9.297 1.00 0.00 C ATOM 314 CG GLN A 28 -11.349 -12.958 9.214 1.00 0.00 C ATOM 315 CD GLN A 28 -12.023 -14.151 9.863 1.00 0.00 C ATOM 316 OE1 GLN A 28 -11.777 -14.459 11.030 1.00 0.00 O ATOM 317 NE2 GLN A 28 -12.880 -14.829 9.109 1.00 0.00 N ATOM 0 H GLN A 28 -10.089 -10.620 9.756 1.00 0.00 H new ATOM 0 HA GLN A 28 -9.722 -12.818 11.433 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -9.407 -12.542 8.418 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -9.522 -14.070 9.267 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -11.695 -12.044 9.696 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -11.650 -12.900 8.168 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -13.054 -14.538 8.147 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -13.365 -15.641 9.492 1.00 0.00 H new ATOM 326 N PHE A 29 -7.010 -11.952 9.745 1.00 0.00 N ATOM 327 CA PHE A 29 -5.559 -12.097 9.707 1.00 0.00 C ATOM 328 C PHE A 29 -4.975 -12.088 11.117 1.00 0.00 C ATOM 329 O PHE A 29 -4.262 -13.011 11.510 1.00 0.00 O ATOM 330 CB PHE A 29 -4.935 -10.974 8.876 1.00 0.00 C ATOM 331 CG PHE A 29 -3.439 -10.902 8.995 1.00 0.00 C ATOM 332 CD1 PHE A 29 -2.643 -11.934 8.524 1.00 0.00 C ATOM 333 CD2 PHE A 29 -2.829 -9.802 9.576 1.00 0.00 C ATOM 334 CE1 PHE A 29 -1.267 -11.870 8.633 1.00 0.00 C ATOM 335 CE2 PHE A 29 -1.453 -9.732 9.686 1.00 0.00 C ATOM 336 CZ PHE A 29 -0.671 -10.767 9.213 1.00 0.00 C ATOM 0 H PHE A 29 -7.388 -11.310 9.048 1.00 0.00 H new ATOM 0 HA PHE A 29 -5.326 -13.055 9.243 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -5.202 -11.116 7.829 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -5.363 -10.021 9.188 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -3.103 -12.798 8.067 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -3.436 -8.990 9.947 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -0.658 -12.682 8.265 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -0.990 -8.869 10.141 1.00 0.00 H new ATOM 0 HZ PHE A 29 0.404 -10.714 9.296 1.00 0.00 H new ATOM 346 N GLN A 30 -5.282 -11.037 11.871 1.00 0.00 N ATOM 347 CA GLN A 30 -4.787 -10.906 13.236 1.00 0.00 C ATOM 348 C GLN A 30 -4.964 -12.210 14.007 1.00 0.00 C ATOM 349 O GLN A 30 -4.064 -12.645 14.726 1.00 0.00 O ATOM 350 CB GLN A 30 -5.513 -9.770 13.958 1.00 0.00 C ATOM 351 CG GLN A 30 -4.850 -8.414 13.781 1.00 0.00 C ATOM 352 CD GLN A 30 -3.446 -8.372 14.353 1.00 0.00 C ATOM 353 OE1 GLN A 30 -3.109 -9.136 15.258 1.00 0.00 O ATOM 354 NE2 GLN A 30 -2.619 -7.476 13.826 1.00 0.00 N ATOM 0 H GLN A 30 -5.871 -10.264 11.560 1.00 0.00 H new ATOM 0 HA GLN A 30 -3.723 -10.675 13.189 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -6.538 -9.714 13.592 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -5.567 -10.003 15.022 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -4.814 -8.167 12.720 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -5.459 -7.650 14.265 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -2.941 -6.863 13.077 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -1.662 -7.401 14.170 1.00 0.00 H new ATOM 363 N ARG A 31 -6.130 -12.829 13.852 1.00 0.00 N ATOM 364 CA ARG A 31 -6.426 -14.083 14.535 1.00 0.00 C ATOM 365 C ARG A 31 -5.717 -15.252 13.857 1.00 0.00 C ATOM 366 O ARG A 31 -5.336 -16.223 14.510 1.00 0.00 O ATOM 367 CB ARG A 31 -7.935 -14.332 14.558 1.00 0.00 C ATOM 368 CG ARG A 31 -8.738 -13.162 15.102 1.00 0.00 C ATOM 369 CD ARG A 31 -10.161 -13.574 15.445 1.00 0.00 C ATOM 370 NE ARG A 31 -11.050 -13.485 14.290 1.00 0.00 N ATOM 371 CZ ARG A 31 -12.370 -13.380 14.385 1.00 0.00 C ATOM 372 NH1 ARG A 31 -12.952 -13.350 15.576 1.00 0.00 N ATOM 373 NH2 ARG A 31 -13.112 -13.305 13.288 1.00 0.00 N ATOM 0 H ARG A 31 -6.885 -12.483 13.260 1.00 0.00 H new ATOM 0 HA ARG A 31 -6.062 -14.004 15.559 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -8.273 -14.554 13.546 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -8.140 -15.215 15.164 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -8.248 -12.766 15.992 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -8.758 -12.359 14.365 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -10.161 -14.596 15.825 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -10.540 -12.937 16.244 1.00 0.00 H new ATOM 0 HE ARG A 31 -10.634 -13.505 13.359 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -12.385 -13.408 16.422 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -13.966 -13.269 15.646 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -12.668 -13.328 12.370 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -14.126 -13.224 13.363 1.00 0.00 H new ATOM 387 N GLY A 32 -5.543 -15.151 12.543 1.00 0.00 N ATOM 388 CA GLY A 32 -4.881 -16.206 11.798 1.00 0.00 C ATOM 389 C GLY A 32 -5.863 -17.151 11.134 1.00 0.00 C ATOM 390 O GLY A 32 -5.569 -18.331 10.941 1.00 0.00 O ATOM 0 H GLY A 32 -5.849 -14.357 11.981 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -4.239 -15.762 11.038 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -4.235 -16.771 12.470 1.00 0.00 H new ATOM 394 N THR A 33 -7.036 -16.632 10.783 1.00 0.00 N ATOM 395 CA THR A 33 -8.066 -17.437 10.139 1.00 0.00 C ATOM 396 C THR A 33 -8.502 -16.817 8.817 1.00 0.00 C ATOM 397 O THR A 33 -9.687 -16.818 8.479 1.00 0.00 O ATOM 398 CB THR A 33 -9.299 -17.603 11.047 1.00 0.00 C ATOM 399 OG1 THR A 33 -10.274 -18.430 10.402 1.00 0.00 O ATOM 400 CG2 THR A 33 -9.912 -16.252 11.379 1.00 0.00 C ATOM 0 H THR A 33 -7.296 -15.657 10.934 1.00 0.00 H new ATOM 0 HA THR A 33 -7.629 -18.417 9.950 1.00 0.00 H new ATOM 0 HB THR A 33 -8.979 -18.076 11.975 1.00 0.00 H new ATOM 0 HG1 THR A 33 -10.458 -18.080 9.505 1.00 0.00 H new ATOM 0 HG21 THR A 33 -10.781 -16.395 12.021 1.00 0.00 H new ATOM 0 HG22 THR A 33 -9.176 -15.636 11.896 1.00 0.00 H new ATOM 0 HG23 THR A 33 -10.219 -15.756 10.458 1.00 0.00 H new ATOM 408 N CYS A 34 -7.539 -16.287 8.070 1.00 0.00 N ATOM 409 CA CYS A 34 -7.823 -15.662 6.784 1.00 0.00 C ATOM 410 C CYS A 34 -7.196 -16.457 5.643 1.00 0.00 C ATOM 411 O CYS A 34 -6.010 -16.310 5.349 1.00 0.00 O ATOM 412 CB CYS A 34 -7.302 -14.224 6.765 1.00 0.00 C ATOM 413 SG CYS A 34 -7.269 -13.467 5.109 1.00 0.00 S ATOM 0 H CYS A 34 -6.554 -16.278 8.334 1.00 0.00 H new ATOM 0 HA CYS A 34 -8.904 -15.651 6.645 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -7.925 -13.614 7.419 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -6.294 -14.209 7.180 1.00 0.00 H new ATOM 0 HG CYS A 34 -6.346 -12.552 5.068 1.00 0.00 H new ATOM 418 N SER A 35 -8.001 -17.300 5.003 1.00 0.00 N ATOM 419 CA SER A 35 -7.524 -18.121 3.897 1.00 0.00 C ATOM 420 C SER A 35 -7.682 -17.388 2.568 1.00 0.00 C ATOM 421 O SER A 35 -8.005 -17.994 1.546 1.00 0.00 O ATOM 422 CB SER A 35 -8.286 -19.448 3.853 1.00 0.00 C ATOM 423 OG SER A 35 -9.669 -19.235 3.631 1.00 0.00 O ATOM 0 H SER A 35 -8.986 -17.432 5.232 1.00 0.00 H new ATOM 0 HA SER A 35 -6.465 -18.323 4.058 1.00 0.00 H new ATOM 0 HB2 SER A 35 -7.880 -20.078 3.061 1.00 0.00 H new ATOM 0 HB3 SER A 35 -8.143 -19.984 4.791 1.00 0.00 H new ATOM 0 HG SER A 35 -10.133 -20.098 3.605 1.00 0.00 H new ATOM 429 N ARG A 36 -7.452 -16.079 2.591 1.00 0.00 N ATOM 430 CA ARG A 36 -7.570 -15.261 1.390 1.00 0.00 C ATOM 431 C ARG A 36 -6.241 -14.587 1.059 1.00 0.00 C ATOM 432 O ARG A 36 -5.622 -13.958 1.917 1.00 0.00 O ATOM 433 CB ARG A 36 -8.659 -14.203 1.573 1.00 0.00 C ATOM 434 CG ARG A 36 -10.030 -14.786 1.874 1.00 0.00 C ATOM 435 CD ARG A 36 -11.117 -13.725 1.791 1.00 0.00 C ATOM 436 NE ARG A 36 -12.229 -14.009 2.694 1.00 0.00 N ATOM 437 CZ ARG A 36 -13.075 -13.083 3.131 1.00 0.00 C ATOM 438 NH1 ARG A 36 -12.937 -11.821 2.750 1.00 0.00 N ATOM 439 NH2 ARG A 36 -14.062 -13.420 3.952 1.00 0.00 N ATOM 0 H ARG A 36 -7.183 -15.562 3.428 1.00 0.00 H new ATOM 0 HA ARG A 36 -7.843 -15.914 0.561 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -8.372 -13.535 2.385 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -8.721 -13.598 0.669 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -10.248 -15.588 1.169 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -10.028 -15.229 2.870 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -10.692 -12.751 2.034 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -11.487 -13.665 0.768 1.00 0.00 H new ATOM 0 HE ARG A 36 -12.363 -14.971 3.006 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -12.179 -11.559 2.119 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -13.588 -11.112 3.087 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -14.171 -14.390 4.247 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -14.712 -12.709 4.288 1.00 0.00 H new ATOM 453 N SER A 37 -5.809 -14.725 -0.190 1.00 0.00 N ATOM 454 CA SER A 37 -4.552 -14.133 -0.634 1.00 0.00 C ATOM 455 C SER A 37 -4.608 -12.611 -0.549 1.00 0.00 C ATOM 456 O SER A 37 -5.597 -12.040 -0.089 1.00 0.00 O ATOM 457 CB SER A 37 -4.240 -14.564 -2.068 1.00 0.00 C ATOM 458 OG SER A 37 -3.663 -15.858 -2.099 1.00 0.00 O ATOM 0 H SER A 37 -6.310 -15.241 -0.913 1.00 0.00 H new ATOM 0 HA SER A 37 -3.759 -14.487 0.025 1.00 0.00 H new ATOM 0 HB2 SER A 37 -5.155 -14.556 -2.660 1.00 0.00 H new ATOM 0 HB3 SER A 37 -3.558 -13.848 -2.526 1.00 0.00 H new ATOM 0 HG SER A 37 -3.475 -16.110 -3.027 1.00 0.00 H new ATOM 464 N ASP A 38 -3.539 -11.960 -0.994 1.00 0.00 N ATOM 465 CA ASP A 38 -3.465 -10.504 -0.970 1.00 0.00 C ATOM 466 C ASP A 38 -4.280 -9.899 -2.109 1.00 0.00 C ATOM 467 O ASP A 38 -4.884 -8.838 -1.956 1.00 0.00 O ATOM 468 CB ASP A 38 -2.010 -10.044 -1.067 1.00 0.00 C ATOM 469 CG ASP A 38 -1.864 -8.545 -0.898 1.00 0.00 C ATOM 470 OD1 ASP A 38 -2.444 -7.996 0.063 1.00 0.00 O ATOM 471 OD2 ASP A 38 -1.169 -7.919 -1.725 1.00 0.00 O ATOM 0 H ASP A 38 -2.711 -12.418 -1.376 1.00 0.00 H new ATOM 0 HA ASP A 38 -3.884 -10.160 -0.025 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -1.420 -10.552 -0.304 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -1.602 -10.339 -2.034 1.00 0.00 H new ATOM 476 N GLU A 39 -4.291 -10.582 -3.249 1.00 0.00 N ATOM 477 CA GLU A 39 -5.030 -10.110 -4.414 1.00 0.00 C ATOM 478 C GLU A 39 -6.508 -10.475 -4.305 1.00 0.00 C ATOM 479 O GLU A 39 -7.333 -10.001 -5.085 1.00 0.00 O ATOM 480 CB GLU A 39 -4.440 -10.704 -5.695 1.00 0.00 C ATOM 481 CG GLU A 39 -3.060 -10.166 -6.036 1.00 0.00 C ATOM 482 CD GLU A 39 -2.395 -10.937 -7.159 1.00 0.00 C ATOM 483 OE1 GLU A 39 -2.847 -10.808 -8.316 1.00 0.00 O ATOM 484 OE2 GLU A 39 -1.422 -11.669 -6.881 1.00 0.00 O ATOM 0 H GLU A 39 -3.797 -11.463 -3.391 1.00 0.00 H new ATOM 0 HA GLU A 39 -4.943 -9.024 -4.452 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -4.383 -11.787 -5.590 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -5.116 -10.499 -6.525 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -3.143 -9.117 -6.320 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -2.429 -10.207 -5.148 1.00 0.00 H new ATOM 491 N GLU A 40 -6.832 -11.322 -3.333 1.00 0.00 N ATOM 492 CA GLU A 40 -8.210 -11.752 -3.123 1.00 0.00 C ATOM 493 C GLU A 40 -8.853 -10.976 -1.977 1.00 0.00 C ATOM 494 O GLU A 40 -9.937 -10.411 -2.126 1.00 0.00 O ATOM 495 CB GLU A 40 -8.260 -13.252 -2.830 1.00 0.00 C ATOM 496 CG GLU A 40 -9.559 -13.914 -3.260 1.00 0.00 C ATOM 497 CD GLU A 40 -10.783 -13.132 -2.827 1.00 0.00 C ATOM 498 OE1 GLU A 40 -11.186 -13.261 -1.652 1.00 0.00 O ATOM 499 OE2 GLU A 40 -11.339 -12.389 -3.663 1.00 0.00 O ATOM 0 H GLU A 40 -6.160 -11.724 -2.679 1.00 0.00 H new ATOM 0 HA GLU A 40 -8.771 -11.549 -4.035 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -7.428 -13.741 -3.337 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -8.118 -13.410 -1.761 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -9.566 -14.021 -4.345 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -9.607 -14.919 -2.840 1.00 0.00 H new ATOM 506 N CYS A 41 -8.178 -10.955 -0.833 1.00 0.00 N ATOM 507 CA CYS A 41 -8.682 -10.251 0.340 1.00 0.00 C ATOM 508 C CYS A 41 -8.563 -8.740 0.160 1.00 0.00 C ATOM 509 O CYS A 41 -7.513 -8.231 -0.232 1.00 0.00 O ATOM 510 CB CYS A 41 -7.918 -10.688 1.591 1.00 0.00 C ATOM 511 SG CYS A 41 -8.844 -10.464 3.144 1.00 0.00 S ATOM 0 H CYS A 41 -7.280 -11.418 -0.693 1.00 0.00 H new ATOM 0 HA CYS A 41 -9.736 -10.504 0.459 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -7.648 -11.739 1.490 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -6.987 -10.124 1.651 1.00 0.00 H new ATOM 0 HG CYS A 41 -8.473 -11.365 4.004 1.00 0.00 H new ATOM 516 N LYS A 42 -9.647 -8.028 0.450 1.00 0.00 N ATOM 517 CA LYS A 42 -9.665 -6.575 0.323 1.00 0.00 C ATOM 518 C LYS A 42 -9.047 -5.914 1.550 1.00 0.00 C ATOM 519 O LYS A 42 -9.268 -4.730 1.808 1.00 0.00 O ATOM 520 CB LYS A 42 -11.100 -6.078 0.131 1.00 0.00 C ATOM 521 CG LYS A 42 -12.051 -6.527 1.227 1.00 0.00 C ATOM 522 CD LYS A 42 -12.235 -5.448 2.282 1.00 0.00 C ATOM 523 CE LYS A 42 -13.060 -4.286 1.752 1.00 0.00 C ATOM 524 NZ LYS A 42 -14.502 -4.638 1.635 1.00 0.00 N ATOM 0 H LYS A 42 -10.525 -8.434 0.775 1.00 0.00 H new ATOM 0 HA LYS A 42 -9.072 -6.304 -0.551 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -11.096 -4.989 0.089 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -11.473 -6.433 -0.830 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -13.017 -6.779 0.791 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -11.666 -7.433 1.695 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -12.725 -5.874 3.158 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -11.260 -5.085 2.607 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -12.948 -3.429 2.416 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -12.679 -3.985 0.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -15.054 -3.779 1.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -14.631 -5.321 0.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -14.830 -5.060 2.527 1.00 0.00 H new ATOM 538 N PHE A 43 -8.270 -6.685 2.304 1.00 0.00 N ATOM 539 CA PHE A 43 -7.619 -6.173 3.504 1.00 0.00 C ATOM 540 C PHE A 43 -6.108 -6.375 3.432 1.00 0.00 C ATOM 541 O PHE A 43 -5.619 -7.216 2.678 1.00 0.00 O ATOM 542 CB PHE A 43 -8.178 -6.866 4.749 1.00 0.00 C ATOM 543 CG PHE A 43 -9.633 -6.582 4.989 1.00 0.00 C ATOM 544 CD1 PHE A 43 -10.115 -5.284 4.953 1.00 0.00 C ATOM 545 CD2 PHE A 43 -10.519 -7.614 5.252 1.00 0.00 C ATOM 546 CE1 PHE A 43 -11.453 -5.020 5.174 1.00 0.00 C ATOM 547 CE2 PHE A 43 -11.859 -7.357 5.474 1.00 0.00 C ATOM 548 CZ PHE A 43 -12.327 -6.058 5.434 1.00 0.00 C ATOM 0 H PHE A 43 -8.076 -7.666 2.105 1.00 0.00 H new ATOM 0 HA PHE A 43 -7.823 -5.104 3.569 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -8.037 -7.942 4.650 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -7.605 -6.548 5.620 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -9.437 -4.468 4.750 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -10.158 -8.632 5.284 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -11.815 -4.003 5.144 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -12.539 -8.171 5.678 1.00 0.00 H new ATOM 0 HZ PHE A 43 -13.374 -5.854 5.606 1.00 0.00 H new ATOM 558 N ALA A 44 -5.374 -5.597 4.221 1.00 0.00 N ATOM 559 CA ALA A 44 -3.920 -5.691 4.248 1.00 0.00 C ATOM 560 C ALA A 44 -3.449 -6.590 5.386 1.00 0.00 C ATOM 561 O ALA A 44 -3.879 -6.438 6.529 1.00 0.00 O ATOM 562 CB ALA A 44 -3.304 -4.306 4.377 1.00 0.00 C ATOM 0 H ALA A 44 -5.763 -4.895 4.850 1.00 0.00 H new ATOM 0 HA ALA A 44 -3.592 -6.136 3.309 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -2.218 -4.391 4.396 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -3.605 -3.693 3.527 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -3.647 -3.840 5.300 1.00 0.00 H new ATOM 568 N HIS A 45 -2.563 -7.528 5.065 1.00 0.00 N ATOM 569 CA HIS A 45 -2.033 -8.452 6.062 1.00 0.00 C ATOM 570 C HIS A 45 -0.528 -8.266 6.230 1.00 0.00 C ATOM 571 O HIS A 45 0.279 -8.862 5.518 1.00 0.00 O ATOM 572 CB HIS A 45 -2.338 -9.896 5.662 1.00 0.00 C ATOM 573 CG HIS A 45 -3.705 -10.080 5.077 1.00 0.00 C ATOM 574 ND1 HIS A 45 -4.821 -9.320 5.179 1.00 0.00 N flip ATOM 575 CD2 HIS A 45 -4.044 -11.153 4.280 1.00 0.00 C flip ATOM 576 CE1 HIS A 45 -5.804 -9.941 4.448 1.00 0.00 C flip ATOM 577 NE2 HIS A 45 -5.309 -11.044 3.915 1.00 0.00 N flip ATOM 0 H HIS A 45 -2.197 -7.668 4.123 1.00 0.00 H new ATOM 0 HA HIS A 45 -2.517 -8.236 7.015 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -1.594 -10.229 4.938 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -2.238 -10.536 6.539 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -3.380 -11.956 3.998 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -6.817 -9.586 4.328 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -5.817 -11.700 3.322 1.00 0.00 H new ATOM 585 N PRO A 46 -0.141 -7.418 7.195 1.00 0.00 N ATOM 586 CA PRO A 46 1.268 -7.133 7.479 1.00 0.00 C ATOM 587 C PRO A 46 1.986 -8.325 8.103 1.00 0.00 C ATOM 588 O PRO A 46 1.573 -8.861 9.131 1.00 0.00 O ATOM 589 CB PRO A 46 1.202 -5.970 8.472 1.00 0.00 C ATOM 590 CG PRO A 46 -0.128 -6.108 9.128 1.00 0.00 C ATOM 591 CD PRO A 46 -1.049 -6.673 8.083 1.00 0.00 C ATOM 0 HA PRO A 46 1.828 -6.906 6.572 1.00 0.00 H new ATOM 0 HB2 PRO A 46 2.011 -6.025 9.201 1.00 0.00 H new ATOM 0 HB3 PRO A 46 1.295 -5.010 7.964 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -0.069 -6.767 9.994 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -0.489 -5.144 9.486 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -1.805 -7.324 8.523 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -1.579 -5.886 7.547 1.00 0.00 H new ATOM 599 N PRO A 47 3.088 -8.752 7.468 1.00 0.00 N ATOM 600 CA PRO A 47 3.887 -9.885 7.944 1.00 0.00 C ATOM 601 C PRO A 47 4.636 -9.565 9.233 1.00 0.00 C ATOM 602 O PRO A 47 4.587 -8.440 9.729 1.00 0.00 O ATOM 603 CB PRO A 47 4.874 -10.128 6.799 1.00 0.00 C ATOM 604 CG PRO A 47 4.988 -8.812 6.111 1.00 0.00 C ATOM 605 CD PRO A 47 3.639 -8.161 6.237 1.00 0.00 C ATOM 0 HA PRO A 47 3.267 -10.749 8.182 1.00 0.00 H new ATOM 0 HB2 PRO A 47 5.841 -10.463 7.174 1.00 0.00 H new ATOM 0 HB3 PRO A 47 4.511 -10.899 6.120 1.00 0.00 H new ATOM 0 HG2 PRO A 47 5.762 -8.197 6.570 1.00 0.00 H new ATOM 0 HG3 PRO A 47 5.263 -8.941 5.064 1.00 0.00 H new ATOM 0 HD2 PRO A 47 3.722 -7.077 6.314 1.00 0.00 H new ATOM 0 HD3 PRO A 47 3.009 -8.372 5.373 1.00 0.00 H new ATOM 613 N LYS A 48 5.328 -10.563 9.772 1.00 0.00 N ATOM 614 CA LYS A 48 6.089 -10.389 11.004 1.00 0.00 C ATOM 615 C LYS A 48 7.107 -9.261 10.860 1.00 0.00 C ATOM 616 O LYS A 48 7.133 -8.330 11.665 1.00 0.00 O ATOM 617 CB LYS A 48 6.803 -11.690 11.375 1.00 0.00 C ATOM 618 CG LYS A 48 6.986 -11.879 12.871 1.00 0.00 C ATOM 619 CD LYS A 48 8.243 -12.673 13.184 1.00 0.00 C ATOM 620 CE LYS A 48 7.968 -14.170 13.194 1.00 0.00 C ATOM 621 NZ LYS A 48 7.216 -14.587 14.410 1.00 0.00 N ATOM 0 H LYS A 48 5.378 -11.501 9.375 1.00 0.00 H new ATOM 0 HA LYS A 48 5.391 -10.126 11.799 1.00 0.00 H new ATOM 0 HB2 LYS A 48 6.236 -12.532 10.978 1.00 0.00 H new ATOM 0 HB3 LYS A 48 7.780 -11.708 10.893 1.00 0.00 H new ATOM 0 HG2 LYS A 48 7.039 -10.905 13.358 1.00 0.00 H new ATOM 0 HG3 LYS A 48 6.118 -12.394 13.282 1.00 0.00 H new ATOM 0 HD2 LYS A 48 9.011 -12.448 12.444 1.00 0.00 H new ATOM 0 HD3 LYS A 48 8.636 -12.367 14.154 1.00 0.00 H new ATOM 0 HE2 LYS A 48 7.399 -14.441 12.304 1.00 0.00 H new ATOM 0 HE3 LYS A 48 8.912 -14.713 13.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 7.253 -15.622 14.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 7.644 -14.148 15.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 6.225 -14.282 14.327 1.00 0.00 H new ATOM 635 N SER A 49 7.942 -9.352 9.830 1.00 0.00 N ATOM 636 CA SER A 49 8.962 -8.340 9.582 1.00 0.00 C ATOM 637 C SER A 49 8.351 -6.942 9.572 1.00 0.00 C ATOM 638 O SER A 49 8.902 -6.008 10.155 1.00 0.00 O ATOM 639 CB SER A 49 9.667 -8.611 8.251 1.00 0.00 C ATOM 640 OG SER A 49 10.517 -9.741 8.345 1.00 0.00 O ATOM 0 H SER A 49 7.932 -10.116 9.154 1.00 0.00 H new ATOM 0 HA SER A 49 9.693 -8.392 10.389 1.00 0.00 H new ATOM 0 HB2 SER A 49 8.925 -8.774 7.469 1.00 0.00 H new ATOM 0 HB3 SER A 49 10.250 -7.737 7.960 1.00 0.00 H new ATOM 0 HG SER A 49 10.954 -9.894 7.481 1.00 0.00 H new ATOM 646 N CYS A 50 7.209 -6.808 8.906 1.00 0.00 N ATOM 647 CA CYS A 50 6.522 -5.525 8.819 1.00 0.00 C ATOM 648 C CYS A 50 5.887 -5.155 10.155 1.00 0.00 C ATOM 649 O CYS A 50 5.254 -5.988 10.803 1.00 0.00 O ATOM 650 CB CYS A 50 5.451 -5.570 7.727 1.00 0.00 C ATOM 651 SG CYS A 50 6.113 -5.692 6.049 1.00 0.00 S ATOM 0 H CYS A 50 6.740 -7.572 8.419 1.00 0.00 H new ATOM 0 HA CYS A 50 7.259 -4.763 8.565 1.00 0.00 H new ATOM 0 HB2 CYS A 50 4.796 -6.422 7.910 1.00 0.00 H new ATOM 0 HB3 CYS A 50 4.836 -4.673 7.799 1.00 0.00 H new ATOM 0 HG CYS A 50 6.649 -4.557 5.710 1.00 0.00 H new ATOM 657 N GLN A 51 6.064 -3.902 10.562 1.00 0.00 N ATOM 658 CA GLN A 51 5.510 -3.424 11.823 1.00 0.00 C ATOM 659 C GLN A 51 4.009 -3.184 11.702 1.00 0.00 C ATOM 660 O GLN A 51 3.503 -2.876 10.623 1.00 0.00 O ATOM 661 CB GLN A 51 6.211 -2.135 12.256 1.00 0.00 C ATOM 662 CG GLN A 51 5.746 -1.613 13.606 1.00 0.00 C ATOM 663 CD GLN A 51 6.513 -0.385 14.053 1.00 0.00 C ATOM 664 OE1 GLN A 51 7.561 -0.056 13.495 1.00 0.00 O ATOM 665 NE2 GLN A 51 5.996 0.301 15.065 1.00 0.00 N ATOM 0 H GLN A 51 6.586 -3.200 10.037 1.00 0.00 H new ATOM 0 HA GLN A 51 5.677 -4.192 12.578 1.00 0.00 H new ATOM 0 HB2 GLN A 51 7.286 -2.311 12.295 1.00 0.00 H new ATOM 0 HB3 GLN A 51 6.041 -1.368 11.501 1.00 0.00 H new ATOM 0 HG2 GLN A 51 4.684 -1.374 13.552 1.00 0.00 H new ATOM 0 HG3 GLN A 51 5.858 -2.399 14.353 1.00 0.00 H new ATOM 0 HE21 GLN A 51 5.125 -0.007 15.498 1.00 0.00 H new ATOM 0 HE22 GLN A 51 6.469 1.136 15.409 1.00 0.00 H new ATOM 674 N VAL A 52 3.300 -3.329 12.818 1.00 0.00 N ATOM 675 CA VAL A 52 1.856 -3.127 12.837 1.00 0.00 C ATOM 676 C VAL A 52 1.468 -2.021 13.812 1.00 0.00 C ATOM 677 O VAL A 52 1.907 -2.013 14.962 1.00 0.00 O ATOM 678 CB VAL A 52 1.114 -4.420 13.223 1.00 0.00 C ATOM 679 CG1 VAL A 52 -0.392 -4.209 13.168 1.00 0.00 C ATOM 680 CG2 VAL A 52 1.533 -5.566 12.315 1.00 0.00 C ATOM 0 H VAL A 52 3.702 -3.585 13.720 1.00 0.00 H new ATOM 0 HA VAL A 52 1.564 -2.836 11.828 1.00 0.00 H new ATOM 0 HB VAL A 52 1.383 -4.680 14.247 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -0.899 -5.134 13.444 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -0.674 -3.419 13.864 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -0.683 -3.923 12.157 1.00 0.00 H new ATOM 0 HG21 VAL A 52 0.999 -6.472 12.602 1.00 0.00 H new ATOM 0 HG22 VAL A 52 1.295 -5.317 11.281 1.00 0.00 H new ATOM 0 HG23 VAL A 52 2.606 -5.732 12.410 1.00 0.00 H new ATOM 690 N GLU A 53 0.643 -1.089 13.345 1.00 0.00 N ATOM 691 CA GLU A 53 0.197 0.022 14.177 1.00 0.00 C ATOM 692 C GLU A 53 -1.072 -0.345 14.940 1.00 0.00 C ATOM 693 O GLU A 53 -1.705 -1.363 14.660 1.00 0.00 O ATOM 694 CB GLU A 53 -0.053 1.263 13.317 1.00 0.00 C ATOM 695 CG GLU A 53 1.221 1.968 12.882 1.00 0.00 C ATOM 696 CD GLU A 53 1.720 2.960 13.915 1.00 0.00 C ATOM 697 OE1 GLU A 53 2.083 2.525 15.028 1.00 0.00 O ATOM 698 OE2 GLU A 53 1.749 4.171 13.610 1.00 0.00 O ATOM 0 H GLU A 53 0.270 -1.081 12.396 1.00 0.00 H new ATOM 0 HA GLU A 53 0.984 0.241 14.899 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -0.619 0.973 12.431 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -0.673 1.963 13.876 1.00 0.00 H new ATOM 0 HG2 GLU A 53 1.996 1.226 12.692 1.00 0.00 H new ATOM 0 HG3 GLU A 53 1.041 2.488 11.941 1.00 0.00 H new ATOM 705 N ASN A 54 -1.437 0.491 15.907 1.00 0.00 N ATOM 706 CA ASN A 54 -2.630 0.254 16.712 1.00 0.00 C ATOM 707 C ASN A 54 -3.859 0.082 15.826 1.00 0.00 C ATOM 708 O ASN A 54 -4.363 1.046 15.250 1.00 0.00 O ATOM 709 CB ASN A 54 -2.849 1.412 17.688 1.00 0.00 C ATOM 710 CG ASN A 54 -1.670 1.614 18.620 1.00 0.00 C ATOM 711 OD1 ASN A 54 -0.814 0.740 18.754 1.00 0.00 O ATOM 712 ND2 ASN A 54 -1.621 2.771 19.270 1.00 0.00 N ATOM 0 H ASN A 54 -0.924 1.338 16.152 1.00 0.00 H new ATOM 0 HA ASN A 54 -2.480 -0.666 17.277 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -3.025 2.329 17.126 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -3.746 1.222 18.277 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -0.851 2.964 19.911 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -2.353 3.467 19.128 1.00 0.00 H new ATOM 719 N GLY A 55 -4.338 -1.154 15.721 1.00 0.00 N ATOM 720 CA GLY A 55 -5.505 -1.431 14.904 1.00 0.00 C ATOM 721 C GLY A 55 -5.348 -0.933 13.481 1.00 0.00 C ATOM 722 O GLY A 55 -6.333 -0.762 12.763 1.00 0.00 O ATOM 0 H GLY A 55 -3.938 -1.968 16.187 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -5.689 -2.505 14.891 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -6.380 -0.963 15.355 1.00 0.00 H new ATOM 726 N ARG A 56 -4.105 -0.698 13.072 1.00 0.00 N ATOM 727 CA ARG A 56 -3.822 -0.214 11.726 1.00 0.00 C ATOM 728 C ARG A 56 -2.393 -0.554 11.315 1.00 0.00 C ATOM 729 O ARG A 56 -1.606 -1.052 12.120 1.00 0.00 O ATOM 730 CB ARG A 56 -4.040 1.299 11.649 1.00 0.00 C ATOM 731 CG ARG A 56 -4.527 1.775 10.290 1.00 0.00 C ATOM 732 CD ARG A 56 -5.243 3.113 10.393 1.00 0.00 C ATOM 733 NE ARG A 56 -6.541 2.990 11.051 1.00 0.00 N ATOM 734 CZ ARG A 56 -7.468 3.942 11.033 1.00 0.00 C ATOM 735 NH1 ARG A 56 -7.240 5.081 10.393 1.00 0.00 N ATOM 736 NH2 ARG A 56 -8.625 3.756 11.655 1.00 0.00 N ATOM 0 H ARG A 56 -3.278 -0.835 13.653 1.00 0.00 H new ATOM 0 HA ARG A 56 -4.507 -0.709 11.038 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -4.765 1.592 12.409 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -3.105 1.805 11.888 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -3.680 1.866 9.610 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -5.201 1.032 9.863 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -4.621 3.815 10.947 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -5.381 3.528 9.395 1.00 0.00 H new ATOM 0 HE ARG A 56 -6.747 2.126 11.552 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -6.352 5.228 9.913 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -7.953 5.810 10.380 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -8.804 2.881 12.148 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -9.335 4.488 11.640 1.00 0.00 H new ATOM 750 N VAL A 57 -2.064 -0.283 10.056 1.00 0.00 N ATOM 751 CA VAL A 57 -0.730 -0.559 9.538 1.00 0.00 C ATOM 752 C VAL A 57 -0.338 0.449 8.463 1.00 0.00 C ATOM 753 O VAL A 57 -1.152 0.815 7.615 1.00 0.00 O ATOM 754 CB VAL A 57 -0.639 -1.980 8.950 1.00 0.00 C ATOM 755 CG1 VAL A 57 -1.728 -2.200 7.912 1.00 0.00 C ATOM 756 CG2 VAL A 57 0.738 -2.222 8.350 1.00 0.00 C ATOM 0 H VAL A 57 -2.704 0.128 9.376 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.041 -0.476 10.379 1.00 0.00 H new ATOM 0 HB VAL A 57 -0.790 -2.698 9.757 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -1.647 -3.209 7.508 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.705 -2.073 8.377 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.613 -1.476 7.105 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.784 -3.231 7.940 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.921 -1.498 7.556 1.00 0.00 H new ATOM 0 HG23 VAL A 57 1.497 -2.111 9.124 1.00 0.00 H new ATOM 766 N ILE A 58 0.914 0.893 8.505 1.00 0.00 N ATOM 767 CA ILE A 58 1.414 1.858 7.534 1.00 0.00 C ATOM 768 C ILE A 58 1.955 1.158 6.292 1.00 0.00 C ATOM 769 O ILE A 58 2.684 0.171 6.391 1.00 0.00 O ATOM 770 CB ILE A 58 2.524 2.740 8.136 1.00 0.00 C ATOM 771 CG1 ILE A 58 1.989 3.518 9.340 1.00 0.00 C ATOM 772 CG2 ILE A 58 3.073 3.692 7.085 1.00 0.00 C ATOM 773 CD1 ILE A 58 3.077 4.066 10.237 1.00 0.00 C ATOM 0 H ILE A 58 1.600 0.600 9.201 1.00 0.00 H new ATOM 0 HA ILE A 58 0.571 2.490 7.255 1.00 0.00 H new ATOM 0 HB ILE A 58 3.336 2.097 8.474 1.00 0.00 H new ATOM 0 HG12 ILE A 58 1.373 4.344 8.984 1.00 0.00 H new ATOM 0 HG13 ILE A 58 1.341 2.866 9.925 1.00 0.00 H new ATOM 0 HG21 ILE A 58 3.856 4.308 7.526 1.00 0.00 H new ATOM 0 HG22 ILE A 58 3.486 3.119 6.255 1.00 0.00 H new ATOM 0 HG23 ILE A 58 2.270 4.332 6.719 1.00 0.00 H new ATOM 0 HD11 ILE A 58 2.625 4.606 11.069 1.00 0.00 H new ATOM 0 HD12 ILE A 58 3.680 3.243 10.622 1.00 0.00 H new ATOM 0 HD13 ILE A 58 3.711 4.744 9.667 1.00 0.00 H new ATOM 785 N ALA A 59 1.595 1.676 5.123 1.00 0.00 N ATOM 786 CA ALA A 59 2.047 1.103 3.861 1.00 0.00 C ATOM 787 C ALA A 59 3.380 1.706 3.431 1.00 0.00 C ATOM 788 O ALA A 59 3.740 2.807 3.850 1.00 0.00 O ATOM 789 CB ALA A 59 0.997 1.313 2.780 1.00 0.00 C ATOM 0 H ALA A 59 0.991 2.492 5.023 1.00 0.00 H new ATOM 0 HA ALA A 59 2.193 0.033 4.007 1.00 0.00 H new ATOM 0 HB1 ALA A 59 1.348 0.880 1.843 1.00 0.00 H new ATOM 0 HB2 ALA A 59 0.067 0.829 3.077 1.00 0.00 H new ATOM 0 HB3 ALA A 59 0.823 2.380 2.644 1.00 0.00 H new ATOM 795 N CYS A 60 4.110 0.978 2.592 1.00 0.00 N ATOM 796 CA CYS A 60 5.404 1.440 2.106 1.00 0.00 C ATOM 797 C CYS A 60 5.232 2.428 0.956 1.00 0.00 C ATOM 798 O CYS A 60 4.405 2.225 0.067 1.00 0.00 O ATOM 799 CB CYS A 60 6.255 0.253 1.650 1.00 0.00 C ATOM 800 SG CYS A 60 7.913 0.712 1.051 1.00 0.00 S ATOM 0 H CYS A 60 3.827 0.066 2.235 1.00 0.00 H new ATOM 0 HA CYS A 60 5.911 1.948 2.926 1.00 0.00 H new ATOM 0 HB2 CYS A 60 6.361 -0.445 2.481 1.00 0.00 H new ATOM 0 HB3 CYS A 60 5.727 -0.275 0.856 1.00 0.00 H new ATOM 0 HG CYS A 60 8.814 0.060 1.724 1.00 0.00 H new ATOM 805 N PHE A 61 6.020 3.498 0.979 1.00 0.00 N ATOM 806 CA PHE A 61 5.954 4.519 -0.060 1.00 0.00 C ATOM 807 C PHE A 61 6.522 3.992 -1.375 1.00 0.00 C ATOM 808 O PHE A 61 5.984 4.264 -2.449 1.00 0.00 O ATOM 809 CB PHE A 61 6.721 5.770 0.374 1.00 0.00 C ATOM 810 CG PHE A 61 6.513 6.946 -0.536 1.00 0.00 C ATOM 811 CD1 PHE A 61 5.302 7.619 -0.555 1.00 0.00 C ATOM 812 CD2 PHE A 61 7.529 7.380 -1.373 1.00 0.00 C ATOM 813 CE1 PHE A 61 5.107 8.702 -1.391 1.00 0.00 C ATOM 814 CE2 PHE A 61 7.341 8.463 -2.210 1.00 0.00 C ATOM 815 CZ PHE A 61 6.128 9.124 -2.220 1.00 0.00 C ATOM 0 H PHE A 61 6.712 3.680 1.706 1.00 0.00 H new ATOM 0 HA PHE A 61 4.907 4.779 -0.213 1.00 0.00 H new ATOM 0 HB2 PHE A 61 6.414 6.043 1.383 1.00 0.00 H new ATOM 0 HB3 PHE A 61 7.785 5.538 0.417 1.00 0.00 H new ATOM 0 HD1 PHE A 61 4.501 7.293 0.092 1.00 0.00 H new ATOM 0 HD2 PHE A 61 8.479 6.866 -1.371 1.00 0.00 H new ATOM 0 HE1 PHE A 61 4.158 9.217 -1.396 1.00 0.00 H new ATOM 0 HE2 PHE A 61 8.142 8.792 -2.856 1.00 0.00 H new ATOM 0 HZ PHE A 61 5.978 9.969 -2.875 1.00 0.00 H new ATOM 825 N ASP A 62 7.612 3.239 -1.283 1.00 0.00 N ATOM 826 CA ASP A 62 8.253 2.673 -2.464 1.00 0.00 C ATOM 827 C ASP A 62 7.374 1.601 -3.099 1.00 0.00 C ATOM 828 O ASP A 62 7.092 1.643 -4.296 1.00 0.00 O ATOM 829 CB ASP A 62 9.616 2.082 -2.097 1.00 0.00 C ATOM 830 CG ASP A 62 10.723 3.117 -2.130 1.00 0.00 C ATOM 831 OD1 ASP A 62 10.768 3.908 -3.095 1.00 0.00 O ATOM 832 OD2 ASP A 62 11.545 3.136 -1.190 1.00 0.00 O ATOM 0 H ASP A 62 8.071 3.006 -0.402 1.00 0.00 H new ATOM 0 HA ASP A 62 8.396 3.475 -3.188 1.00 0.00 H new ATOM 0 HB2 ASP A 62 9.562 1.643 -1.101 1.00 0.00 H new ATOM 0 HB3 ASP A 62 9.857 1.274 -2.788 1.00 0.00 H new ATOM 837 N SER A 63 6.944 0.639 -2.288 1.00 0.00 N ATOM 838 CA SER A 63 6.101 -0.448 -2.771 1.00 0.00 C ATOM 839 C SER A 63 5.044 0.074 -3.740 1.00 0.00 C ATOM 840 O SER A 63 4.641 -0.623 -4.672 1.00 0.00 O ATOM 841 CB SER A 63 5.426 -1.159 -1.597 1.00 0.00 C ATOM 842 OG SER A 63 4.453 -0.327 -0.988 1.00 0.00 O ATOM 0 H SER A 63 7.166 0.591 -1.294 1.00 0.00 H new ATOM 0 HA SER A 63 6.735 -1.159 -3.300 1.00 0.00 H new ATOM 0 HB2 SER A 63 4.956 -2.078 -1.946 1.00 0.00 H new ATOM 0 HB3 SER A 63 6.177 -1.445 -0.861 1.00 0.00 H new ATOM 0 HG SER A 63 4.848 0.548 -0.792 1.00 0.00 H new ATOM 848 N LEU A 64 4.599 1.304 -3.512 1.00 0.00 N ATOM 849 CA LEU A 64 3.588 1.922 -4.364 1.00 0.00 C ATOM 850 C LEU A 64 4.037 1.933 -5.822 1.00 0.00 C ATOM 851 O LEU A 64 3.259 1.626 -6.725 1.00 0.00 O ATOM 852 CB LEU A 64 3.301 3.350 -3.896 1.00 0.00 C ATOM 853 CG LEU A 64 2.656 3.487 -2.517 1.00 0.00 C ATOM 854 CD1 LEU A 64 2.558 4.951 -2.117 1.00 0.00 C ATOM 855 CD2 LEU A 64 1.281 2.835 -2.504 1.00 0.00 C ATOM 0 H LEU A 64 4.922 1.894 -2.745 1.00 0.00 H new ATOM 0 HA LEU A 64 2.675 1.331 -4.289 1.00 0.00 H new ATOM 0 HB2 LEU A 64 4.239 3.905 -3.893 1.00 0.00 H new ATOM 0 HB3 LEU A 64 2.650 3.827 -4.629 1.00 0.00 H new ATOM 0 HG LEU A 64 3.286 2.974 -1.790 1.00 0.00 H new ATOM 0 HD11 LEU A 64 2.096 5.029 -1.133 1.00 0.00 H new ATOM 0 HD12 LEU A 64 3.556 5.387 -2.085 1.00 0.00 H new ATOM 0 HD13 LEU A 64 1.951 5.488 -2.846 1.00 0.00 H new ATOM 0 HD21 LEU A 64 0.837 2.942 -1.514 1.00 0.00 H new ATOM 0 HD22 LEU A 64 0.642 3.319 -3.243 1.00 0.00 H new ATOM 0 HD23 LEU A 64 1.378 1.777 -2.745 1.00 0.00 H new ATOM 867 N LYS A 65 5.299 2.287 -6.044 1.00 0.00 N ATOM 868 CA LYS A 65 5.854 2.335 -7.391 1.00 0.00 C ATOM 869 C LYS A 65 5.972 0.933 -7.982 1.00 0.00 C ATOM 870 O LYS A 65 5.902 0.753 -9.197 1.00 0.00 O ATOM 871 CB LYS A 65 7.228 3.009 -7.375 1.00 0.00 C ATOM 872 CG LYS A 65 7.253 4.320 -6.608 1.00 0.00 C ATOM 873 CD LYS A 65 6.533 5.423 -7.366 1.00 0.00 C ATOM 874 CE LYS A 65 5.065 5.500 -6.977 1.00 0.00 C ATOM 875 NZ LYS A 65 4.850 6.383 -5.797 1.00 0.00 N ATOM 0 H LYS A 65 5.956 2.545 -5.308 1.00 0.00 H new ATOM 0 HA LYS A 65 5.176 2.918 -8.015 1.00 0.00 H new ATOM 0 HB2 LYS A 65 7.954 2.326 -6.934 1.00 0.00 H new ATOM 0 HB3 LYS A 65 7.546 3.192 -8.401 1.00 0.00 H new ATOM 0 HG2 LYS A 65 6.785 4.181 -5.633 1.00 0.00 H new ATOM 0 HG3 LYS A 65 8.286 4.617 -6.426 1.00 0.00 H new ATOM 0 HD2 LYS A 65 7.015 6.379 -7.163 1.00 0.00 H new ATOM 0 HD3 LYS A 65 6.618 5.244 -8.438 1.00 0.00 H new ATOM 0 HE2 LYS A 65 4.485 5.873 -7.821 1.00 0.00 H new ATOM 0 HE3 LYS A 65 4.695 4.499 -6.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 3.837 6.409 -5.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 5.383 6.013 -4.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 5.179 7.344 -6.018 1.00 0.00 H new ATOM 889 N GLY A 66 6.148 -0.058 -7.113 1.00 0.00 N ATOM 890 CA GLY A 66 6.271 -1.431 -7.567 1.00 0.00 C ATOM 891 C GLY A 66 7.658 -1.996 -7.338 1.00 0.00 C ATOM 892 O GLY A 66 7.873 -3.202 -7.462 1.00 0.00 O ATOM 0 H GLY A 66 6.208 0.066 -6.102 1.00 0.00 H new ATOM 0 HA2 GLY A 66 5.540 -2.049 -7.046 1.00 0.00 H new ATOM 0 HA3 GLY A 66 6.032 -1.482 -8.629 1.00 0.00 H new ATOM 896 N ARG A 67 8.603 -1.123 -7.003 1.00 0.00 N ATOM 897 CA ARG A 67 9.978 -1.542 -6.759 1.00 0.00 C ATOM 898 C ARG A 67 10.499 -0.959 -5.448 1.00 0.00 C ATOM 899 O ARG A 67 10.780 0.236 -5.356 1.00 0.00 O ATOM 900 CB ARG A 67 10.879 -1.109 -7.916 1.00 0.00 C ATOM 901 CG ARG A 67 10.479 -1.704 -9.256 1.00 0.00 C ATOM 902 CD ARG A 67 10.904 -3.160 -9.368 1.00 0.00 C ATOM 903 NE ARG A 67 12.332 -3.293 -9.643 1.00 0.00 N ATOM 904 CZ ARG A 67 12.862 -3.168 -10.854 1.00 0.00 C ATOM 905 NH1 ARG A 67 12.086 -2.907 -11.897 1.00 0.00 N ATOM 906 NH2 ARG A 67 14.171 -3.303 -11.024 1.00 0.00 N ATOM 0 H ARG A 67 8.441 -0.122 -6.894 1.00 0.00 H new ATOM 0 HA ARG A 67 9.992 -2.629 -6.685 1.00 0.00 H new ATOM 0 HB2 ARG A 67 10.862 -0.022 -7.991 1.00 0.00 H new ATOM 0 HB3 ARG A 67 11.906 -1.397 -7.693 1.00 0.00 H new ATOM 0 HG2 ARG A 67 9.399 -1.628 -9.381 1.00 0.00 H new ATOM 0 HG3 ARG A 67 10.934 -1.128 -10.062 1.00 0.00 H new ATOM 0 HD2 ARG A 67 10.663 -3.680 -8.441 1.00 0.00 H new ATOM 0 HD3 ARG A 67 10.335 -3.644 -10.162 1.00 0.00 H new ATOM 0 HE ARG A 67 12.957 -3.493 -8.862 1.00 0.00 H new ATOM 0 HH11 ARG A 67 11.079 -2.802 -11.770 1.00 0.00 H new ATOM 0 HH12 ARG A 67 12.496 -2.811 -12.826 1.00 0.00 H new ATOM 0 HH21 ARG A 67 14.771 -3.503 -10.224 1.00 0.00 H new ATOM 0 HH22 ARG A 67 14.577 -3.207 -11.955 1.00 0.00 H new ATOM 920 N CYS A 68 10.625 -1.812 -4.437 1.00 0.00 N ATOM 921 CA CYS A 68 11.111 -1.382 -3.131 1.00 0.00 C ATOM 922 C CYS A 68 12.585 -1.738 -2.955 1.00 0.00 C ATOM 923 O CYS A 68 13.094 -2.655 -3.599 1.00 0.00 O ATOM 924 CB CYS A 68 10.284 -2.028 -2.018 1.00 0.00 C ATOM 925 SG CYS A 68 10.824 -1.584 -0.336 1.00 0.00 S ATOM 0 H CYS A 68 10.397 -2.805 -4.497 1.00 0.00 H new ATOM 0 HA CYS A 68 11.006 -0.299 -3.071 1.00 0.00 H new ATOM 0 HB2 CYS A 68 9.240 -1.739 -2.141 1.00 0.00 H new ATOM 0 HB3 CYS A 68 10.330 -3.111 -2.128 1.00 0.00 H new ATOM 0 HG CYS A 68 9.931 -0.819 0.219 1.00 0.00 H new ATOM 930 N SER A 69 13.264 -1.004 -2.079 1.00 0.00 N ATOM 931 CA SER A 69 14.680 -1.239 -1.821 1.00 0.00 C ATOM 932 C SER A 69 14.910 -1.624 -0.363 1.00 0.00 C ATOM 933 O SER A 69 15.539 -2.641 -0.069 1.00 0.00 O ATOM 934 CB SER A 69 15.497 0.008 -2.166 1.00 0.00 C ATOM 935 OG SER A 69 16.873 -0.193 -1.896 1.00 0.00 O ATOM 0 H SER A 69 12.857 -0.242 -1.536 1.00 0.00 H new ATOM 0 HA SER A 69 15.007 -2.065 -2.453 1.00 0.00 H new ATOM 0 HB2 SER A 69 15.362 0.255 -3.219 1.00 0.00 H new ATOM 0 HB3 SER A 69 15.130 0.858 -1.590 1.00 0.00 H new ATOM 0 HG SER A 69 17.373 0.618 -2.126 1.00 0.00 H new ATOM 941 N ARG A 70 14.395 -0.804 0.548 1.00 0.00 N ATOM 942 CA ARG A 70 14.544 -1.057 1.976 1.00 0.00 C ATOM 943 C ARG A 70 14.545 -2.555 2.265 1.00 0.00 C ATOM 944 O ARG A 70 13.523 -3.225 2.120 1.00 0.00 O ATOM 945 CB ARG A 70 13.418 -0.377 2.756 1.00 0.00 C ATOM 946 CG ARG A 70 13.643 1.110 2.979 1.00 0.00 C ATOM 947 CD ARG A 70 14.640 1.361 4.099 1.00 0.00 C ATOM 948 NE ARG A 70 15.084 2.752 4.135 1.00 0.00 N ATOM 949 CZ ARG A 70 16.181 3.156 4.766 1.00 0.00 C ATOM 950 NH1 ARG A 70 16.941 2.281 5.410 1.00 0.00 N ATOM 951 NH2 ARG A 70 16.520 4.439 4.754 1.00 0.00 N ATOM 0 H ARG A 70 13.871 0.041 0.322 1.00 0.00 H new ATOM 0 HA ARG A 70 15.500 -0.642 2.296 1.00 0.00 H new ATOM 0 HB2 ARG A 70 12.480 -0.517 2.220 1.00 0.00 H new ATOM 0 HB3 ARG A 70 13.309 -0.868 3.723 1.00 0.00 H new ATOM 0 HG2 ARG A 70 14.006 1.566 2.058 1.00 0.00 H new ATOM 0 HG3 ARG A 70 12.695 1.590 3.220 1.00 0.00 H new ATOM 0 HD2 ARG A 70 14.185 1.101 5.055 1.00 0.00 H new ATOM 0 HD3 ARG A 70 15.503 0.708 3.969 1.00 0.00 H new ATOM 0 HE ARG A 70 14.522 3.451 3.650 1.00 0.00 H new ATOM 0 HH11 ARG A 70 16.684 1.294 5.422 1.00 0.00 H new ATOM 0 HH12 ARG A 70 17.783 2.595 5.893 1.00 0.00 H new ATOM 0 HH21 ARG A 70 15.938 5.116 4.260 1.00 0.00 H new ATOM 0 HH22 ARG A 70 17.362 4.748 5.239 1.00 0.00 H new ATOM 965 N GLU A 71 15.699 -3.073 2.675 1.00 0.00 N ATOM 966 CA GLU A 71 15.832 -4.492 2.983 1.00 0.00 C ATOM 967 C GLU A 71 14.826 -4.914 4.049 1.00 0.00 C ATOM 968 O GLU A 71 13.879 -5.647 3.768 1.00 0.00 O ATOM 969 CB GLU A 71 17.254 -4.803 3.456 1.00 0.00 C ATOM 970 CG GLU A 71 17.684 -6.236 3.193 1.00 0.00 C ATOM 971 CD GLU A 71 16.748 -7.250 3.821 1.00 0.00 C ATOM 972 OE1 GLU A 71 16.775 -7.395 5.061 1.00 0.00 O ATOM 973 OE2 GLU A 71 15.989 -7.900 3.072 1.00 0.00 O ATOM 0 H GLU A 71 16.554 -2.532 2.801 1.00 0.00 H new ATOM 0 HA GLU A 71 15.628 -5.056 2.073 1.00 0.00 H new ATOM 0 HB2 GLU A 71 17.949 -4.127 2.958 1.00 0.00 H new ATOM 0 HB3 GLU A 71 17.324 -4.602 4.525 1.00 0.00 H new ATOM 0 HG2 GLU A 71 17.729 -6.406 2.117 1.00 0.00 H new ATOM 0 HG3 GLU A 71 18.691 -6.387 3.582 1.00 0.00 H new ATOM 980 N ASN A 72 15.040 -4.445 5.275 1.00 0.00 N ATOM 981 CA ASN A 72 14.152 -4.775 6.384 1.00 0.00 C ATOM 982 C ASN A 72 12.958 -3.826 6.426 1.00 0.00 C ATOM 983 O ASN A 72 12.446 -3.501 7.497 1.00 0.00 O ATOM 984 CB ASN A 72 14.914 -4.711 7.710 1.00 0.00 C ATOM 985 CG ASN A 72 16.288 -5.346 7.617 1.00 0.00 C ATOM 986 OD1 ASN A 72 17.275 -4.675 7.313 1.00 0.00 O ATOM 987 ND2 ASN A 72 16.359 -6.645 7.880 1.00 0.00 N ATOM 0 H ASN A 72 15.819 -3.836 5.525 1.00 0.00 H new ATOM 0 HA ASN A 72 13.783 -5.789 6.232 1.00 0.00 H new ATOM 0 HB2 ASN A 72 15.018 -3.670 8.017 1.00 0.00 H new ATOM 0 HB3 ASN A 72 14.335 -5.215 8.484 1.00 0.00 H new ATOM 0 HD21 ASN A 72 17.257 -7.126 7.834 1.00 0.00 H new ATOM 0 HD22 ASN A 72 15.515 -7.162 8.128 1.00 0.00 H new ATOM 994 N CYS A 73 12.518 -3.386 5.252 1.00 0.00 N ATOM 995 CA CYS A 73 11.384 -2.475 5.152 1.00 0.00 C ATOM 996 C CYS A 73 10.330 -2.801 6.206 1.00 0.00 C ATOM 997 O CYS A 73 9.713 -3.866 6.174 1.00 0.00 O ATOM 998 CB CYS A 73 10.765 -2.549 3.755 1.00 0.00 C ATOM 999 SG CYS A 73 9.718 -1.121 3.329 1.00 0.00 S ATOM 0 H CYS A 73 12.930 -3.646 4.356 1.00 0.00 H new ATOM 0 HA CYS A 73 11.747 -1.462 5.328 1.00 0.00 H new ATOM 0 HB2 CYS A 73 11.565 -2.632 3.019 1.00 0.00 H new ATOM 0 HB3 CYS A 73 10.168 -3.458 3.681 1.00 0.00 H new ATOM 0 HG CYS A 73 9.318 -0.536 4.419 1.00 0.00 H new ATOM 1004 N LYS A 74 10.129 -1.877 7.139 1.00 0.00 N ATOM 1005 CA LYS A 74 9.149 -2.064 8.203 1.00 0.00 C ATOM 1006 C LYS A 74 7.780 -1.542 7.778 1.00 0.00 C ATOM 1007 O LYS A 74 6.984 -1.110 8.612 1.00 0.00 O ATOM 1008 CB LYS A 74 9.606 -1.350 9.477 1.00 0.00 C ATOM 1009 CG LYS A 74 9.644 0.163 9.346 1.00 0.00 C ATOM 1010 CD LYS A 74 9.872 0.833 10.690 1.00 0.00 C ATOM 1011 CE LYS A 74 10.019 2.340 10.544 1.00 0.00 C ATOM 1012 NZ LYS A 74 8.707 3.038 10.639 1.00 0.00 N ATOM 0 H LYS A 74 10.632 -0.991 7.180 1.00 0.00 H new ATOM 0 HA LYS A 74 9.066 -3.132 8.403 1.00 0.00 H new ATOM 0 HB2 LYS A 74 8.937 -1.619 10.294 1.00 0.00 H new ATOM 0 HB3 LYS A 74 10.599 -1.708 9.748 1.00 0.00 H new ATOM 0 HG2 LYS A 74 10.438 0.450 8.656 1.00 0.00 H new ATOM 0 HG3 LYS A 74 8.706 0.516 8.917 1.00 0.00 H new ATOM 0 HD2 LYS A 74 9.037 0.611 11.355 1.00 0.00 H new ATOM 0 HD3 LYS A 74 10.768 0.422 11.155 1.00 0.00 H new ATOM 0 HE2 LYS A 74 10.687 2.716 11.319 1.00 0.00 H new ATOM 0 HE3 LYS A 74 10.483 2.568 9.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 8.431 3.388 9.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 7.985 2.375 10.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 8.787 3.839 11.297 1.00 0.00 H new ATOM 1026 N TYR A 75 7.511 -1.588 6.478 1.00 0.00 N ATOM 1027 CA TYR A 75 6.239 -1.119 5.944 1.00 0.00 C ATOM 1028 C TYR A 75 5.617 -2.163 5.021 1.00 0.00 C ATOM 1029 O TYR A 75 6.302 -2.763 4.192 1.00 0.00 O ATOM 1030 CB TYR A 75 6.433 0.196 5.186 1.00 0.00 C ATOM 1031 CG TYR A 75 7.081 1.282 6.015 1.00 0.00 C ATOM 1032 CD1 TYR A 75 6.351 1.990 6.961 1.00 0.00 C ATOM 1033 CD2 TYR A 75 8.424 1.599 5.852 1.00 0.00 C ATOM 1034 CE1 TYR A 75 6.939 2.984 7.719 1.00 0.00 C ATOM 1035 CE2 TYR A 75 9.021 2.590 6.607 1.00 0.00 C ATOM 1036 CZ TYR A 75 8.274 3.280 7.539 1.00 0.00 C ATOM 1037 OH TYR A 75 8.864 4.268 8.293 1.00 0.00 O ATOM 0 H TYR A 75 8.157 -1.946 5.775 1.00 0.00 H new ATOM 0 HA TYR A 75 5.563 -0.952 6.782 1.00 0.00 H new ATOM 0 HB2 TYR A 75 7.045 0.010 4.303 1.00 0.00 H new ATOM 0 HB3 TYR A 75 5.464 0.549 4.833 1.00 0.00 H new ATOM 0 HD1 TYR A 75 5.306 1.760 7.106 1.00 0.00 H new ATOM 0 HD2 TYR A 75 9.011 1.061 5.122 1.00 0.00 H new ATOM 0 HE1 TYR A 75 6.356 3.527 8.449 1.00 0.00 H new ATOM 0 HE2 TYR A 75 10.066 2.823 6.468 1.00 0.00 H new ATOM 0 HH TYR A 75 9.808 4.350 8.044 1.00 0.00 H new ATOM 1047 N LEU A 76 4.314 -2.375 5.172 1.00 0.00 N ATOM 1048 CA LEU A 76 3.597 -3.346 4.352 1.00 0.00 C ATOM 1049 C LEU A 76 3.408 -2.826 2.931 1.00 0.00 C ATOM 1050 O LEU A 76 3.298 -1.619 2.710 1.00 0.00 O ATOM 1051 CB LEU A 76 2.238 -3.665 4.977 1.00 0.00 C ATOM 1052 CG LEU A 76 1.203 -4.297 4.045 1.00 0.00 C ATOM 1053 CD1 LEU A 76 1.520 -5.766 3.813 1.00 0.00 C ATOM 1054 CD2 LEU A 76 -0.198 -4.136 4.616 1.00 0.00 C ATOM 0 H LEU A 76 3.733 -1.888 5.854 1.00 0.00 H new ATOM 0 HA LEU A 76 4.193 -4.258 4.308 1.00 0.00 H new ATOM 0 HB2 LEU A 76 2.397 -4.337 5.820 1.00 0.00 H new ATOM 0 HB3 LEU A 76 1.820 -2.742 5.379 1.00 0.00 H new ATOM 0 HG LEU A 76 1.244 -3.782 3.085 1.00 0.00 H new ATOM 0 HD11 LEU A 76 0.773 -6.199 3.148 1.00 0.00 H new ATOM 0 HD12 LEU A 76 2.507 -5.858 3.359 1.00 0.00 H new ATOM 0 HD13 LEU A 76 1.508 -6.296 4.766 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -0.921 -4.592 3.940 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -0.253 -4.625 5.589 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -0.425 -3.076 4.729 1.00 0.00 H new ATOM 1066 N HIS A 77 3.368 -3.744 1.971 1.00 0.00 N ATOM 1067 CA HIS A 77 3.189 -3.377 0.570 1.00 0.00 C ATOM 1068 C HIS A 77 1.775 -3.705 0.100 1.00 0.00 C ATOM 1069 O HIS A 77 1.472 -4.831 -0.295 1.00 0.00 O ATOM 1070 CB HIS A 77 4.211 -4.104 -0.304 1.00 0.00 C ATOM 1071 CG HIS A 77 5.632 -3.772 0.034 1.00 0.00 C ATOM 1072 ND1 HIS A 77 6.178 -3.272 1.167 1.00 0.00 N flip ATOM 1073 CD2 HIS A 77 6.676 -3.946 -0.849 1.00 0.00 C flip ATOM 1074 CE1 HIS A 77 7.529 -3.155 0.950 1.00 0.00 C flip ATOM 1075 NE2 HIS A 77 7.804 -3.569 -0.274 1.00 0.00 N flip ATOM 0 H HIS A 77 3.457 -4.747 2.137 1.00 0.00 H new ATOM 0 HA HIS A 77 3.344 -2.302 0.478 1.00 0.00 H new ATOM 0 HB2 HIS A 77 4.064 -5.179 -0.203 1.00 0.00 H new ATOM 0 HB3 HIS A 77 4.027 -3.854 -1.349 1.00 0.00 H new ATOM 0 HD2 HIS A 77 6.586 -4.331 -1.854 1.00 0.00 H new ATOM 0 HE1 HIS A 77 8.250 -2.785 1.664 1.00 0.00 H new ATOM 0 HE2 HIS A 77 8.729 -3.593 -0.702 1.00 0.00 H new ATOM 1083 N PRO A 78 0.888 -2.700 0.143 1.00 0.00 N ATOM 1084 CA PRO A 78 -0.508 -2.858 -0.275 1.00 0.00 C ATOM 1085 C PRO A 78 -0.645 -3.044 -1.782 1.00 0.00 C ATOM 1086 O PRO A 78 0.114 -2.482 -2.573 1.00 0.00 O ATOM 1087 CB PRO A 78 -1.160 -1.544 0.162 1.00 0.00 C ATOM 1088 CG PRO A 78 -0.043 -0.559 0.193 1.00 0.00 C ATOM 1089 CD PRO A 78 1.180 -1.332 0.602 1.00 0.00 C ATOM 0 HA PRO A 78 -0.966 -3.744 0.164 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -1.939 -1.237 -0.536 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -1.629 -1.641 1.141 1.00 0.00 H new ATOM 0 HG2 PRO A 78 0.096 -0.096 -0.784 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -0.251 0.245 0.899 1.00 0.00 H new ATOM 0 HD2 PRO A 78 2.081 -0.935 0.135 1.00 0.00 H new ATOM 0 HD3 PRO A 78 1.337 -1.295 1.680 1.00 0.00 H new ATOM 1097 N PRO A 79 -1.635 -3.851 -2.193 1.00 0.00 N ATOM 1098 CA PRO A 79 -1.894 -4.129 -3.609 1.00 0.00 C ATOM 1099 C PRO A 79 -2.447 -2.914 -4.346 1.00 0.00 C ATOM 1100 O PRO A 79 -2.761 -1.892 -3.734 1.00 0.00 O ATOM 1101 CB PRO A 79 -2.937 -5.248 -3.565 1.00 0.00 C ATOM 1102 CG PRO A 79 -3.621 -5.078 -2.253 1.00 0.00 C ATOM 1103 CD PRO A 79 -2.577 -4.554 -1.306 1.00 0.00 C ATOM 0 HA PRO A 79 -0.984 -4.397 -4.145 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -3.642 -5.165 -4.392 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -2.468 -6.229 -3.643 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -4.457 -4.383 -2.336 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -4.028 -6.025 -1.900 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -3.008 -3.882 -0.564 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -2.089 -5.361 -0.760 1.00 0.00 H new ATOM 1111 N THR A 80 -2.564 -3.031 -5.665 1.00 0.00 N ATOM 1112 CA THR A 80 -3.079 -1.942 -6.486 1.00 0.00 C ATOM 1113 C THR A 80 -4.560 -1.703 -6.217 1.00 0.00 C ATOM 1114 O THR A 80 -5.007 -0.560 -6.117 1.00 0.00 O ATOM 1115 CB THR A 80 -2.881 -2.227 -7.986 1.00 0.00 C ATOM 1116 OG1 THR A 80 -1.530 -2.634 -8.233 1.00 0.00 O ATOM 1117 CG2 THR A 80 -3.205 -0.997 -8.819 1.00 0.00 C ATOM 0 H THR A 80 -2.309 -3.869 -6.188 1.00 0.00 H new ATOM 0 HA THR A 80 -2.515 -1.049 -6.216 1.00 0.00 H new ATOM 0 HB THR A 80 -3.561 -3.029 -8.273 1.00 0.00 H new ATOM 0 HG1 THR A 80 -1.412 -2.815 -9.189 1.00 0.00 H new ATOM 0 HG21 THR A 80 -3.057 -1.224 -9.875 1.00 0.00 H new ATOM 0 HG22 THR A 80 -4.242 -0.707 -8.652 1.00 0.00 H new ATOM 0 HG23 THR A 80 -2.548 -0.177 -8.529 1.00 0.00 H new ATOM 1125 N HIS A 81 -5.318 -2.789 -6.099 1.00 0.00 N ATOM 1126 CA HIS A 81 -6.751 -2.697 -5.840 1.00 0.00 C ATOM 1127 C HIS A 81 -7.020 -1.965 -4.529 1.00 0.00 C ATOM 1128 O HIS A 81 -8.103 -1.415 -4.324 1.00 0.00 O ATOM 1129 CB HIS A 81 -7.373 -4.093 -5.795 1.00 0.00 C ATOM 1130 CG HIS A 81 -6.821 -4.960 -4.706 1.00 0.00 C ATOM 1131 ND1 HIS A 81 -7.203 -5.111 -3.416 1.00 0.00 N flip ATOM 1132 CD2 HIS A 81 -5.744 -5.801 -4.886 1.00 0.00 C flip ATOM 1133 CE1 HIS A 81 -6.359 -6.033 -2.847 1.00 0.00 C flip ATOM 1134 NE2 HIS A 81 -5.488 -6.434 -3.755 1.00 0.00 N flip ATOM 0 H HIS A 81 -4.964 -3.742 -6.179 1.00 0.00 H new ATOM 0 HA HIS A 81 -7.206 -2.130 -6.652 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -8.451 -3.997 -5.661 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -7.213 -4.584 -6.755 1.00 0.00 H new ATOM 0 HD1 HIS A 81 -7.974 -4.630 -2.953 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -5.195 -5.923 -5.808 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -6.401 -6.375 -1.823 1.00 0.00 H new ATOM 1142 N LEU A 82 -6.028 -1.962 -3.645 1.00 0.00 N ATOM 1143 CA LEU A 82 -6.158 -1.298 -2.352 1.00 0.00 C ATOM 1144 C LEU A 82 -5.542 0.097 -2.393 1.00 0.00 C ATOM 1145 O LEU A 82 -6.098 1.049 -1.845 1.00 0.00 O ATOM 1146 CB LEU A 82 -5.489 -2.132 -1.259 1.00 0.00 C ATOM 1147 CG LEU A 82 -6.299 -3.314 -0.725 1.00 0.00 C ATOM 1148 CD1 LEU A 82 -5.596 -3.950 0.464 1.00 0.00 C ATOM 1149 CD2 LEU A 82 -7.702 -2.868 -0.341 1.00 0.00 C ATOM 0 H LEU A 82 -5.125 -2.411 -3.800 1.00 0.00 H new ATOM 0 HA LEU A 82 -7.220 -1.200 -2.126 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -4.544 -2.511 -1.647 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -5.250 -1.474 -0.423 1.00 0.00 H new ATOM 0 HG LEU A 82 -6.380 -4.061 -1.515 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -6.187 -4.789 0.830 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -4.612 -4.306 0.157 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -5.484 -3.212 1.258 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -8.265 -3.722 0.037 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -7.641 -2.102 0.432 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -8.207 -2.460 -1.217 1.00 0.00 H new ATOM 1161 N LYS A 83 -4.391 0.211 -3.046 1.00 0.00 N ATOM 1162 CA LYS A 83 -3.700 1.490 -3.163 1.00 0.00 C ATOM 1163 C LYS A 83 -4.685 2.616 -3.462 1.00 0.00 C ATOM 1164 O LYS A 83 -4.635 3.680 -2.845 1.00 0.00 O ATOM 1165 CB LYS A 83 -2.638 1.421 -4.262 1.00 0.00 C ATOM 1166 CG LYS A 83 -1.289 0.922 -3.774 1.00 0.00 C ATOM 1167 CD LYS A 83 -0.418 0.451 -4.927 1.00 0.00 C ATOM 1168 CE LYS A 83 -0.329 1.502 -6.024 1.00 0.00 C ATOM 1169 NZ LYS A 83 0.249 0.947 -7.278 1.00 0.00 N ATOM 0 H LYS A 83 -3.916 -0.568 -3.503 1.00 0.00 H new ATOM 0 HA LYS A 83 -3.214 1.700 -2.210 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -2.992 0.765 -5.057 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -2.513 2.412 -4.698 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -0.779 1.719 -3.234 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -1.436 0.103 -3.070 1.00 0.00 H new ATOM 0 HD2 LYS A 83 0.582 0.222 -4.559 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -0.825 -0.472 -5.339 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -1.323 1.900 -6.227 1.00 0.00 H new ATOM 0 HE3 LYS A 83 0.283 2.335 -5.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -0.157 1.443 -8.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 1.281 1.076 -7.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 0.028 -0.067 -7.343 1.00 0.00 H new ATOM 1183 N THR A 84 -5.582 2.374 -4.413 1.00 0.00 N ATOM 1184 CA THR A 84 -6.579 3.366 -4.794 1.00 0.00 C ATOM 1185 C THR A 84 -7.163 4.058 -3.567 1.00 0.00 C ATOM 1186 O THR A 84 -7.145 5.284 -3.468 1.00 0.00 O ATOM 1187 CB THR A 84 -7.724 2.730 -5.604 1.00 0.00 C ATOM 1188 OG1 THR A 84 -7.222 2.221 -6.845 1.00 0.00 O ATOM 1189 CG2 THR A 84 -8.824 3.745 -5.875 1.00 0.00 C ATOM 0 H THR A 84 -5.638 1.499 -4.934 1.00 0.00 H new ATOM 0 HA THR A 84 -6.070 4.103 -5.416 1.00 0.00 H new ATOM 0 HB THR A 84 -8.143 1.912 -5.018 1.00 0.00 H new ATOM 0 HG1 THR A 84 -7.956 1.817 -7.353 1.00 0.00 H new ATOM 0 HG21 THR A 84 -9.622 3.273 -6.448 1.00 0.00 H new ATOM 0 HG22 THR A 84 -9.224 4.109 -4.929 1.00 0.00 H new ATOM 0 HG23 THR A 84 -8.416 4.581 -6.442 1.00 0.00 H new ATOM 1197 N GLN A 85 -7.679 3.263 -2.635 1.00 0.00 N ATOM 1198 CA GLN A 85 -8.268 3.800 -1.415 1.00 0.00 C ATOM 1199 C GLN A 85 -7.400 4.912 -0.834 1.00 0.00 C ATOM 1200 O GLN A 85 -7.897 5.982 -0.481 1.00 0.00 O ATOM 1201 CB GLN A 85 -8.453 2.689 -0.380 1.00 0.00 C ATOM 1202 CG GLN A 85 -9.796 1.982 -0.480 1.00 0.00 C ATOM 1203 CD GLN A 85 -10.121 1.543 -1.893 1.00 0.00 C ATOM 1204 OE1 GLN A 85 -10.387 2.369 -2.767 1.00 0.00 O ATOM 1205 NE2 GLN A 85 -10.100 0.236 -2.127 1.00 0.00 N ATOM 0 H GLN A 85 -7.701 2.245 -2.702 1.00 0.00 H new ATOM 0 HA GLN A 85 -9.242 4.218 -1.667 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -7.656 1.955 -0.500 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -8.348 3.113 0.619 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -9.793 1.111 0.175 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -10.581 2.648 -0.121 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -9.874 -0.413 -1.374 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -10.309 -0.118 -3.060 1.00 0.00 H new ATOM 1214 N LEU A 86 -6.101 4.652 -0.738 1.00 0.00 N ATOM 1215 CA LEU A 86 -5.162 5.630 -0.200 1.00 0.00 C ATOM 1216 C LEU A 86 -5.346 6.988 -0.872 1.00 0.00 C ATOM 1217 O LEU A 86 -5.388 8.020 -0.204 1.00 0.00 O ATOM 1218 CB LEU A 86 -3.724 5.145 -0.391 1.00 0.00 C ATOM 1219 CG LEU A 86 -3.361 3.832 0.303 1.00 0.00 C ATOM 1220 CD1 LEU A 86 -1.966 3.381 -0.102 1.00 0.00 C ATOM 1221 CD2 LEU A 86 -3.457 3.983 1.814 1.00 0.00 C ATOM 0 H LEU A 86 -5.674 3.772 -1.026 1.00 0.00 H new ATOM 0 HA LEU A 86 -5.363 5.742 0.866 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -3.539 5.031 -1.459 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -3.049 5.922 -0.031 1.00 0.00 H new ATOM 0 HG LEU A 86 -4.073 3.069 -0.012 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -1.726 2.445 0.402 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -1.931 3.231 -1.181 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -1.240 4.143 0.182 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -3.195 3.039 2.291 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -2.769 4.761 2.146 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -4.475 4.258 2.088 1.00 0.00 H new