USER MOD reduce.3.24.130724 H: found=0, std=0, add=731, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 731 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 77 SER OG : rot -98:sc= -0.0514 USER MOD Set 1.2: A 79 GLN : amide:sc= -2.19! C(o=-3.2!,f=-3.1!) USER MOD Set 1.3: A 93 GLN : amide:sc= -0.602 X(o=-3.2,f=-3.1) USER MOD Set 1.4: A 96 GLN : amide:sc= -0.408 K(o=-3.2,f=-4.8!) USER MOD Single : A 11 GLN : amide:sc= -0.0563 X(o=-0.056,f=0) USER MOD Single : A 16 GLN : amide:sc= -0.183 K(o=-0.18,f=-2!) USER MOD Single : A 21 THR OG1 : rot -42:sc= 0.166! USER MOD Single : A 25 SER OG : rot -149:sc= -0.849 USER MOD Single : A 26 GLN : amide:sc= -0.317 X(o=-0.32,f=-0.56) USER MOD Single : A 27 HIS : no HD1:sc= -0.0251 X(o=-0.025,f=-0.13) USER MOD Single : A 30 GLN : amide:sc= -0.453 X(o=-0.45,f=-0.5) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -7.34! C(o=-7.3!,f=-4.1!) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=-0.0025) USER MOD Single : A 51 ASN : amide:sc= -0.492 K(o=-0.49,f=-4.2!) USER MOD Single : A 55 GLN : amide:sc= -4.07! C(o=-4.1!,f=-3.8!) USER MOD Single : A 57 GLN : amide:sc= 0 K(o=0,f=-1.7!) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ -179:sc= 1.21 (180deg=1.21) USER MOD Single : A 82 SER OG : rot 64:sc= -5.02! USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= -6.08! C(o=-6.1!,f=-3.5!) USER MOD Single : A 92 ASN : amide:sc= -1.59! K(o=-1.6!,f=-0.022) USER MOD ----------------------------------------------------------------- ATOM 132 N GLN A 11 -3.747 -4.849 16.445 1.00 0.00 N ATOM 133 CA GLN A 11 -2.680 -3.894 16.169 1.00 0.00 C ATOM 134 C GLN A 11 -2.867 -3.263 14.791 1.00 0.00 C ATOM 135 O GLN A 11 -3.374 -3.903 13.869 1.00 0.00 O ATOM 136 CB GLN A 11 -1.322 -4.598 16.226 1.00 0.00 C ATOM 137 CG GLN A 11 -1.181 -5.337 17.559 1.00 0.00 C ATOM 138 CD GLN A 11 -0.157 -4.630 18.442 1.00 0.00 C ATOM 139 OE1 GLN A 11 -0.495 -4.144 19.522 1.00 0.00 O ATOM 140 NE2 GLN A 11 1.084 -4.547 18.046 1.00 0.00 N ATOM 0 HA GLN A 11 -2.717 -3.109 16.925 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -1.231 -5.301 15.398 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -0.519 -3.869 16.116 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -2.145 -5.376 18.066 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -0.871 -6.367 17.382 1.00 0.00 H new ATOM 0 HE21 GLN A 11 1.362 -4.950 17.151 1.00 0.00 H new ATOM 0 HE22 GLN A 11 1.776 -4.079 18.631 1.00 0.00 H new ATOM 149 N PRO A 12 -2.464 -2.029 14.637 1.00 0.00 N ATOM 150 CA PRO A 12 -2.584 -1.297 13.347 1.00 0.00 C ATOM 151 C PRO A 12 -2.054 -2.122 12.176 1.00 0.00 C ATOM 152 O PRO A 12 -1.342 -3.105 12.371 1.00 0.00 O ATOM 153 CB PRO A 12 -1.737 -0.029 13.532 1.00 0.00 C ATOM 154 CG PRO A 12 -1.152 -0.083 14.911 1.00 0.00 C ATOM 155 CD PRO A 12 -1.856 -1.199 15.680 1.00 0.00 C ATOM 0 HA PRO A 12 -3.625 -1.077 13.112 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -0.948 0.019 12.781 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -2.350 0.864 13.409 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -0.080 -0.272 14.863 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -1.285 0.872 15.419 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -1.152 -1.771 16.284 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -2.609 -0.800 16.360 1.00 0.00 H new ATOM 163 N LEU A 13 -2.404 -1.709 10.962 1.00 0.00 N ATOM 164 CA LEU A 13 -1.955 -2.413 9.769 1.00 0.00 C ATOM 165 C LEU A 13 -0.582 -1.903 9.358 1.00 0.00 C ATOM 166 O LEU A 13 -0.357 -0.694 9.293 1.00 0.00 O ATOM 167 CB LEU A 13 -2.948 -2.186 8.629 1.00 0.00 C ATOM 168 CG LEU A 13 -2.724 -3.222 7.528 1.00 0.00 C ATOM 169 CD1 LEU A 13 -3.861 -3.120 6.513 1.00 0.00 C ATOM 170 CD2 LEU A 13 -1.393 -2.952 6.825 1.00 0.00 C ATOM 0 H LEU A 13 -2.993 -0.896 10.780 1.00 0.00 H new ATOM 0 HA LEU A 13 -1.894 -3.479 9.986 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -3.969 -2.257 9.005 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -2.827 -1.181 8.225 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.702 -4.220 7.965 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.710 -3.856 5.723 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -4.811 -3.312 7.011 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.874 -2.120 6.080 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.239 -3.694 6.041 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -1.410 -1.956 6.384 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -0.580 -3.014 7.549 1.00 0.00 H new ATOM 182 N LEU A 14 0.336 -2.822 9.084 1.00 0.00 N ATOM 183 CA LEU A 14 1.674 -2.436 8.686 1.00 0.00 C ATOM 184 C LEU A 14 1.810 -2.444 7.170 1.00 0.00 C ATOM 185 O LEU A 14 1.764 -3.495 6.526 1.00 0.00 O ATOM 186 CB LEU A 14 2.682 -3.390 9.315 1.00 0.00 C ATOM 187 CG LEU A 14 2.535 -3.361 10.839 1.00 0.00 C ATOM 188 CD1 LEU A 14 3.707 -4.107 11.478 1.00 0.00 C ATOM 189 CD2 LEU A 14 2.525 -1.909 11.328 1.00 0.00 C ATOM 0 H LEU A 14 0.176 -3.828 9.131 1.00 0.00 H new ATOM 0 HA LEU A 14 1.869 -1.422 9.034 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.521 -4.402 8.943 1.00 0.00 H new ATOM 0 HB3 LEU A 14 3.695 -3.104 9.032 1.00 0.00 H new ATOM 0 HG LEU A 14 1.599 -3.843 11.121 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.603 -4.087 12.563 1.00 0.00 H new ATOM 0 HD12 LEU A 14 3.712 -5.141 11.133 1.00 0.00 H new ATOM 0 HD13 LEU A 14 4.643 -3.626 11.194 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.420 -1.891 12.413 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.459 -1.424 11.046 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.688 -1.378 10.874 1.00 0.00 H new ATOM 201 N LEU A 15 1.973 -1.250 6.615 1.00 0.00 N ATOM 202 CA LEU A 15 2.110 -1.080 5.177 1.00 0.00 C ATOM 203 C LEU A 15 3.401 -0.318 4.868 1.00 0.00 C ATOM 204 O LEU A 15 3.679 0.709 5.487 1.00 0.00 O ATOM 205 CB LEU A 15 0.890 -0.302 4.665 1.00 0.00 C ATOM 206 CG LEU A 15 0.753 -0.430 3.149 1.00 0.00 C ATOM 207 CD1 LEU A 15 1.943 0.245 2.472 1.00 0.00 C ATOM 208 CD2 LEU A 15 0.696 -1.910 2.757 1.00 0.00 C ATOM 0 H LEU A 15 2.014 -0.380 7.145 1.00 0.00 H new ATOM 0 HA LEU A 15 2.160 -2.050 4.682 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -0.013 -0.676 5.148 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.985 0.749 4.937 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.167 0.057 2.825 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.846 0.154 1.390 1.00 0.00 H new ATOM 0 HD12 LEU A 15 1.968 1.300 2.747 1.00 0.00 H new ATOM 0 HD13 LEU A 15 2.866 -0.236 2.795 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.598 -1.996 1.675 1.00 0.00 H new ATOM 0 HD22 LEU A 15 1.611 -2.407 3.080 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.162 -2.381 3.237 1.00 0.00 H new ATOM 220 N GLN A 16 4.192 -0.822 3.920 1.00 0.00 N ATOM 221 CA GLN A 16 5.447 -0.158 3.570 1.00 0.00 C ATOM 222 C GLN A 16 5.567 0.045 2.066 1.00 0.00 C ATOM 223 O GLN A 16 4.941 -0.663 1.278 1.00 0.00 O ATOM 224 CB GLN A 16 6.642 -0.970 4.077 1.00 0.00 C ATOM 225 CG GLN A 16 6.763 -0.795 5.590 1.00 0.00 C ATOM 226 CD GLN A 16 7.871 -1.688 6.139 1.00 0.00 C ATOM 227 OE1 GLN A 16 8.317 -2.615 5.461 1.00 0.00 O ATOM 228 NE2 GLN A 16 8.345 -1.464 7.335 1.00 0.00 N ATOM 0 H GLN A 16 3.992 -1.670 3.390 1.00 0.00 H new ATOM 0 HA GLN A 16 5.446 0.821 4.050 1.00 0.00 H new ATOM 0 HB2 GLN A 16 6.512 -2.024 3.830 1.00 0.00 H new ATOM 0 HB3 GLN A 16 7.557 -0.638 3.586 1.00 0.00 H new ATOM 0 HG2 GLN A 16 6.976 0.247 5.826 1.00 0.00 H new ATOM 0 HG3 GLN A 16 5.816 -1.043 6.069 1.00 0.00 H new ATOM 0 HE21 GLN A 16 7.975 -0.696 7.895 1.00 0.00 H new ATOM 0 HE22 GLN A 16 9.086 -2.057 7.709 1.00 0.00 H new ATOM 237 N LEU A 17 6.373 1.030 1.680 1.00 0.00 N ATOM 238 CA LEU A 17 6.570 1.337 0.270 1.00 0.00 C ATOM 239 C LEU A 17 8.055 1.417 -0.071 1.00 0.00 C ATOM 240 O LEU A 17 8.825 2.099 0.608 1.00 0.00 O ATOM 241 CB LEU A 17 5.894 2.666 -0.065 1.00 0.00 C ATOM 242 CG LEU A 17 5.968 2.920 -1.572 1.00 0.00 C ATOM 243 CD1 LEU A 17 4.943 2.040 -2.289 1.00 0.00 C ATOM 244 CD2 LEU A 17 5.659 4.391 -1.855 1.00 0.00 C ATOM 0 H LEU A 17 6.897 1.625 2.321 1.00 0.00 H new ATOM 0 HA LEU A 17 6.125 0.537 -0.321 1.00 0.00 H new ATOM 0 HB2 LEU A 17 4.853 2.647 0.259 1.00 0.00 H new ATOM 0 HB3 LEU A 17 6.381 3.478 0.474 1.00 0.00 H new ATOM 0 HG LEU A 17 6.969 2.680 -1.932 1.00 0.00 H new ATOM 0 HD11 LEU A 17 4.996 2.221 -3.363 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.159 0.991 -2.087 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.942 2.280 -1.929 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.711 4.574 -2.928 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.658 4.628 -1.495 1.00 0.00 H new ATOM 0 HD23 LEU A 17 6.387 5.021 -1.344 1.00 0.00 H new ATOM 256 N PHE A 18 8.448 0.727 -1.138 1.00 0.00 N ATOM 257 CA PHE A 18 9.839 0.736 -1.579 1.00 0.00 C ATOM 258 C PHE A 18 10.012 1.757 -2.699 1.00 0.00 C ATOM 259 O PHE A 18 9.372 1.649 -3.745 1.00 0.00 O ATOM 260 CB PHE A 18 10.233 -0.653 -2.095 1.00 0.00 C ATOM 261 CG PHE A 18 10.494 -1.582 -0.934 1.00 0.00 C ATOM 262 CD1 PHE A 18 9.481 -1.864 -0.010 1.00 0.00 C ATOM 263 CD2 PHE A 18 11.756 -2.171 -0.789 1.00 0.00 C ATOM 264 CE1 PHE A 18 9.732 -2.734 1.060 1.00 0.00 C ATOM 265 CE2 PHE A 18 12.008 -3.041 0.280 1.00 0.00 C ATOM 266 CZ PHE A 18 10.995 -3.323 1.204 1.00 0.00 C ATOM 0 H PHE A 18 7.826 0.157 -1.711 1.00 0.00 H new ATOM 0 HA PHE A 18 10.478 1.002 -0.737 1.00 0.00 H new ATOM 0 HB2 PHE A 18 9.437 -1.056 -2.722 1.00 0.00 H new ATOM 0 HB3 PHE A 18 11.124 -0.579 -2.719 1.00 0.00 H new ATOM 0 HD1 PHE A 18 8.507 -1.412 -0.121 1.00 0.00 H new ATOM 0 HD2 PHE A 18 12.537 -1.954 -1.503 1.00 0.00 H new ATOM 0 HE1 PHE A 18 8.951 -2.950 1.774 1.00 0.00 H new ATOM 0 HE2 PHE A 18 12.982 -3.493 0.391 1.00 0.00 H new ATOM 0 HZ PHE A 18 11.187 -3.995 2.028 1.00 0.00 H new ATOM 276 N VAL A 19 10.862 2.755 -2.478 1.00 0.00 N ATOM 277 CA VAL A 19 11.070 3.787 -3.492 1.00 0.00 C ATOM 278 C VAL A 19 12.550 4.101 -3.692 1.00 0.00 C ATOM 279 O VAL A 19 13.362 3.940 -2.781 1.00 0.00 O ATOM 280 CB VAL A 19 10.334 5.056 -3.072 1.00 0.00 C ATOM 281 CG1 VAL A 19 8.925 4.684 -2.607 1.00 0.00 C ATOM 282 CG2 VAL A 19 11.089 5.727 -1.923 1.00 0.00 C ATOM 0 H VAL A 19 11.409 2.872 -1.625 1.00 0.00 H new ATOM 0 HA VAL A 19 10.680 3.413 -4.439 1.00 0.00 H new ATOM 0 HB VAL A 19 10.275 5.744 -3.915 1.00 0.00 H new ATOM 0 HG11 VAL A 19 8.392 5.585 -2.305 1.00 0.00 H new ATOM 0 HG12 VAL A 19 8.388 4.201 -3.423 1.00 0.00 H new ATOM 0 HG13 VAL A 19 8.990 4.000 -1.761 1.00 0.00 H new ATOM 0 HG21 VAL A 19 10.564 6.634 -1.623 1.00 0.00 H new ATOM 0 HG22 VAL A 19 11.146 5.043 -1.076 1.00 0.00 H new ATOM 0 HG23 VAL A 19 12.097 5.983 -2.250 1.00 0.00 H new ATOM 292 N ASP A 20 12.886 4.571 -4.893 1.00 0.00 N ATOM 293 CA ASP A 20 14.265 4.930 -5.214 1.00 0.00 C ATOM 294 C ASP A 20 14.457 6.439 -5.079 1.00 0.00 C ATOM 295 O ASP A 20 15.397 7.006 -5.634 1.00 0.00 O ATOM 296 CB ASP A 20 14.616 4.491 -6.638 1.00 0.00 C ATOM 297 CG ASP A 20 13.895 5.378 -7.644 1.00 0.00 C ATOM 298 OD1 ASP A 20 13.015 6.110 -7.228 1.00 0.00 O ATOM 299 OD2 ASP A 20 14.234 5.312 -8.814 1.00 0.00 O ATOM 0 H ASP A 20 12.224 4.711 -5.656 1.00 0.00 H new ATOM 0 HA ASP A 20 14.927 4.418 -4.515 1.00 0.00 H new ATOM 0 HB2 ASP A 20 15.693 4.552 -6.792 1.00 0.00 H new ATOM 0 HB3 ASP A 20 14.331 3.450 -6.788 1.00 0.00 H new ATOM 304 N THR A 21 13.550 7.076 -4.339 1.00 0.00 N ATOM 305 CA THR A 21 13.604 8.521 -4.122 1.00 0.00 C ATOM 306 C THR A 21 13.112 9.287 -5.350 1.00 0.00 C ATOM 307 O THR A 21 13.158 10.517 -5.380 1.00 0.00 O ATOM 308 CB THR A 21 15.038 8.953 -3.800 1.00 0.00 C ATOM 309 OG1 THR A 21 15.781 9.072 -5.005 1.00 0.00 O ATOM 310 CG2 THR A 21 15.696 7.908 -2.897 1.00 0.00 C ATOM 0 H THR A 21 12.767 6.612 -3.879 1.00 0.00 H new ATOM 0 HA THR A 21 12.950 8.753 -3.282 1.00 0.00 H new ATOM 0 HB THR A 21 15.019 9.915 -3.289 1.00 0.00 H new ATOM 0 HG1 THR A 21 15.565 8.322 -5.598 1.00 0.00 H new ATOM 0 HG21 THR A 21 16.716 8.216 -2.668 1.00 0.00 H new ATOM 0 HG22 THR A 21 15.128 7.818 -1.971 1.00 0.00 H new ATOM 0 HG23 THR A 21 15.713 6.945 -3.408 1.00 0.00 H new ATOM 318 N ARG A 22 12.633 8.562 -6.356 1.00 0.00 N ATOM 319 CA ARG A 22 12.129 9.204 -7.568 1.00 0.00 C ATOM 320 C ARG A 22 10.758 9.834 -7.308 1.00 0.00 C ATOM 321 O ARG A 22 9.940 9.274 -6.579 1.00 0.00 O ATOM 322 CB ARG A 22 12.022 8.182 -8.701 1.00 0.00 C ATOM 323 CG ARG A 22 10.886 7.203 -8.397 1.00 0.00 C ATOM 324 CD ARG A 22 10.988 5.999 -9.335 1.00 0.00 C ATOM 325 NE ARG A 22 11.541 6.409 -10.618 1.00 0.00 N ATOM 326 CZ ARG A 22 11.342 5.688 -11.715 1.00 0.00 C ATOM 327 NH1 ARG A 22 10.419 4.765 -11.731 1.00 0.00 N ATOM 328 NH2 ARG A 22 12.066 5.905 -12.778 1.00 0.00 N ATOM 0 H ARG A 22 12.583 7.543 -6.359 1.00 0.00 H new ATOM 0 HA ARG A 22 12.828 9.988 -7.859 1.00 0.00 H new ATOM 0 HB2 ARG A 22 11.836 8.690 -9.647 1.00 0.00 H new ATOM 0 HB3 ARG A 22 12.963 7.642 -8.809 1.00 0.00 H new ATOM 0 HG2 ARG A 22 10.942 6.875 -7.359 1.00 0.00 H new ATOM 0 HG3 ARG A 22 9.922 7.696 -8.524 1.00 0.00 H new ATOM 0 HD2 ARG A 22 11.619 5.232 -8.887 1.00 0.00 H new ATOM 0 HD3 ARG A 22 10.002 5.557 -9.480 1.00 0.00 H new ATOM 0 HE ARG A 22 12.091 7.266 -10.675 1.00 0.00 H new ATOM 0 HH11 ARG A 22 9.851 4.598 -10.901 1.00 0.00 H new ATOM 0 HH12 ARG A 22 10.266 4.211 -12.574 1.00 0.00 H new ATOM 0 HH21 ARG A 22 12.785 6.628 -12.766 1.00 0.00 H new ATOM 0 HH22 ARG A 22 11.913 5.351 -13.621 1.00 0.00 H new ATOM 342 N PRO A 23 10.497 10.985 -7.879 1.00 0.00 N ATOM 343 CA PRO A 23 9.202 11.697 -7.691 1.00 0.00 C ATOM 344 C PRO A 23 8.003 10.801 -7.982 1.00 0.00 C ATOM 345 O PRO A 23 6.962 10.915 -7.335 1.00 0.00 O ATOM 346 CB PRO A 23 9.235 12.858 -8.692 1.00 0.00 C ATOM 347 CG PRO A 23 10.525 12.766 -9.443 1.00 0.00 C ATOM 348 CD PRO A 23 11.409 11.726 -8.755 1.00 0.00 C ATOM 0 HA PRO A 23 9.091 12.026 -6.658 1.00 0.00 H new ATOM 0 HB2 PRO A 23 8.388 12.799 -9.376 1.00 0.00 H new ATOM 0 HB3 PRO A 23 9.160 13.814 -8.173 1.00 0.00 H new ATOM 0 HG2 PRO A 23 10.341 12.482 -10.479 1.00 0.00 H new ATOM 0 HG3 PRO A 23 11.023 13.735 -9.461 1.00 0.00 H new ATOM 0 HD2 PRO A 23 11.884 11.067 -9.482 1.00 0.00 H new ATOM 0 HD3 PRO A 23 12.208 12.200 -8.185 1.00 0.00 H new ATOM 356 N LEU A 24 8.150 9.914 -8.962 1.00 0.00 N ATOM 357 CA LEU A 24 7.060 9.017 -9.322 1.00 0.00 C ATOM 358 C LEU A 24 6.584 8.262 -8.088 1.00 0.00 C ATOM 359 O LEU A 24 5.383 8.122 -7.857 1.00 0.00 O ATOM 360 CB LEU A 24 7.529 8.022 -10.383 1.00 0.00 C ATOM 361 CG LEU A 24 6.352 7.154 -10.824 1.00 0.00 C ATOM 362 CD1 LEU A 24 5.477 7.935 -11.806 1.00 0.00 C ATOM 363 CD2 LEU A 24 6.882 5.893 -11.504 1.00 0.00 C ATOM 0 H LEU A 24 9.001 9.799 -9.513 1.00 0.00 H new ATOM 0 HA LEU A 24 6.236 9.606 -9.725 1.00 0.00 H new ATOM 0 HB2 LEU A 24 7.942 8.555 -11.239 1.00 0.00 H new ATOM 0 HB3 LEU A 24 8.326 7.396 -9.982 1.00 0.00 H new ATOM 0 HG LEU A 24 5.757 6.878 -9.953 1.00 0.00 H new ATOM 0 HD11 LEU A 24 4.638 7.314 -12.119 1.00 0.00 H new ATOM 0 HD12 LEU A 24 5.100 8.836 -11.321 1.00 0.00 H new ATOM 0 HD13 LEU A 24 6.068 8.213 -12.679 1.00 0.00 H new ATOM 0 HD21 LEU A 24 6.045 5.271 -11.820 1.00 0.00 H new ATOM 0 HD22 LEU A 24 7.476 6.171 -12.374 1.00 0.00 H new ATOM 0 HD23 LEU A 24 7.504 5.336 -10.803 1.00 0.00 H new ATOM 375 N SER A 25 7.537 7.793 -7.286 1.00 0.00 N ATOM 376 CA SER A 25 7.204 7.075 -6.066 1.00 0.00 C ATOM 377 C SER A 25 6.488 8.013 -5.105 1.00 0.00 C ATOM 378 O SER A 25 5.465 7.658 -4.521 1.00 0.00 O ATOM 379 CB SER A 25 8.472 6.537 -5.411 1.00 0.00 C ATOM 380 OG SER A 25 9.189 5.745 -6.348 1.00 0.00 O ATOM 0 H SER A 25 8.537 7.898 -7.460 1.00 0.00 H new ATOM 0 HA SER A 25 6.551 6.237 -6.312 1.00 0.00 H new ATOM 0 HB2 SER A 25 9.094 7.363 -5.065 1.00 0.00 H new ATOM 0 HB3 SER A 25 8.217 5.941 -4.535 1.00 0.00 H new ATOM 0 HG SER A 25 9.674 5.037 -5.875 1.00 0.00 H new ATOM 386 N GLN A 26 7.015 9.230 -4.977 1.00 0.00 N ATOM 387 CA GLN A 26 6.390 10.222 -4.119 1.00 0.00 C ATOM 388 C GLN A 26 5.010 10.512 -4.677 1.00 0.00 C ATOM 389 O GLN A 26 4.051 10.749 -3.944 1.00 0.00 O ATOM 390 CB GLN A 26 7.221 11.508 -4.097 1.00 0.00 C ATOM 391 CG GLN A 26 8.607 11.217 -3.521 1.00 0.00 C ATOM 392 CD GLN A 26 8.477 10.624 -2.124 1.00 0.00 C ATOM 393 OE1 GLN A 26 7.702 11.119 -1.305 1.00 0.00 O ATOM 394 NE2 GLN A 26 9.196 9.584 -1.799 1.00 0.00 N ATOM 0 H GLN A 26 7.861 9.545 -5.451 1.00 0.00 H new ATOM 0 HA GLN A 26 6.322 9.846 -3.098 1.00 0.00 H new ATOM 0 HB2 GLN A 26 7.313 11.910 -5.106 1.00 0.00 H new ATOM 0 HB3 GLN A 26 6.719 12.266 -3.496 1.00 0.00 H new ATOM 0 HG2 GLN A 26 9.142 10.524 -4.171 1.00 0.00 H new ATOM 0 HG3 GLN A 26 9.194 12.135 -3.482 1.00 0.00 H new ATOM 0 HE21 GLN A 26 9.838 9.175 -2.478 1.00 0.00 H new ATOM 0 HE22 GLN A 26 9.116 9.180 -0.866 1.00 0.00 H new ATOM 403 N HIS A 27 4.936 10.455 -5.999 1.00 0.00 N ATOM 404 CA HIS A 27 3.694 10.673 -6.717 1.00 0.00 C ATOM 405 C HIS A 27 2.701 9.585 -6.319 1.00 0.00 C ATOM 406 O HIS A 27 1.582 9.855 -5.867 1.00 0.00 O ATOM 407 CB HIS A 27 3.996 10.569 -8.212 1.00 0.00 C ATOM 408 CG HIS A 27 3.105 11.479 -9.002 1.00 0.00 C ATOM 409 ND1 HIS A 27 1.800 11.756 -8.635 1.00 0.00 N ATOM 410 CD2 HIS A 27 3.336 12.182 -10.153 1.00 0.00 C ATOM 411 CE1 HIS A 27 1.295 12.600 -9.556 1.00 0.00 C ATOM 412 NE2 HIS A 27 2.191 12.893 -10.504 1.00 0.00 N ATOM 0 H HIS A 27 5.735 10.257 -6.601 1.00 0.00 H new ATOM 0 HA HIS A 27 3.271 11.650 -6.484 1.00 0.00 H new ATOM 0 HB2 HIS A 27 5.039 10.826 -8.395 1.00 0.00 H new ATOM 0 HB3 HIS A 27 3.858 9.540 -8.544 1.00 0.00 H new ATOM 0 HD2 HIS A 27 4.264 12.185 -10.705 1.00 0.00 H new ATOM 0 HE1 HIS A 27 0.289 12.992 -9.531 1.00 0.00 H new ATOM 0 HE2 HIS A 27 2.064 13.505 -11.310 1.00 0.00 H new ATOM 420 N ILE A 28 3.150 8.344 -6.473 1.00 0.00 N ATOM 421 CA ILE A 28 2.342 7.189 -6.122 1.00 0.00 C ATOM 422 C ILE A 28 2.069 7.171 -4.624 1.00 0.00 C ATOM 423 O ILE A 28 1.012 6.718 -4.182 1.00 0.00 O ATOM 424 CB ILE A 28 3.065 5.909 -6.542 1.00 0.00 C ATOM 425 CG1 ILE A 28 3.189 5.876 -8.068 1.00 0.00 C ATOM 426 CG2 ILE A 28 2.271 4.691 -6.069 1.00 0.00 C ATOM 427 CD1 ILE A 28 3.988 4.641 -8.489 1.00 0.00 C ATOM 0 H ILE A 28 4.074 8.115 -6.840 1.00 0.00 H new ATOM 0 HA ILE A 28 1.388 7.249 -6.646 1.00 0.00 H new ATOM 0 HB ILE A 28 4.058 5.888 -6.093 1.00 0.00 H new ATOM 0 HG12 ILE A 28 2.199 5.854 -8.523 1.00 0.00 H new ATOM 0 HG13 ILE A 28 3.683 6.780 -8.423 1.00 0.00 H new ATOM 0 HG21 ILE A 28 2.789 3.780 -6.370 1.00 0.00 H new ATOM 0 HG22 ILE A 28 2.180 4.715 -4.983 1.00 0.00 H new ATOM 0 HG23 ILE A 28 1.277 4.708 -6.517 1.00 0.00 H new ATOM 0 HD11 ILE A 28 4.076 4.618 -9.575 1.00 0.00 H new ATOM 0 HD12 ILE A 28 4.983 4.682 -8.045 1.00 0.00 H new ATOM 0 HD13 ILE A 28 3.475 3.742 -8.147 1.00 0.00 H new ATOM 439 N VAL A 29 3.022 7.678 -3.845 1.00 0.00 N ATOM 440 CA VAL A 29 2.856 7.718 -2.399 1.00 0.00 C ATOM 441 C VAL A 29 1.579 8.463 -2.047 1.00 0.00 C ATOM 442 O VAL A 29 0.779 7.989 -1.240 1.00 0.00 O ATOM 443 CB VAL A 29 4.057 8.404 -1.745 1.00 0.00 C ATOM 444 CG1 VAL A 29 3.715 8.763 -0.297 1.00 0.00 C ATOM 445 CG2 VAL A 29 5.252 7.449 -1.760 1.00 0.00 C ATOM 0 H VAL A 29 3.904 8.061 -4.186 1.00 0.00 H new ATOM 0 HA VAL A 29 2.790 6.696 -2.025 1.00 0.00 H new ATOM 0 HB VAL A 29 4.303 9.312 -2.296 1.00 0.00 H new ATOM 0 HG11 VAL A 29 4.571 9.252 0.169 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.859 9.438 -0.282 1.00 0.00 H new ATOM 0 HG13 VAL A 29 3.471 7.855 0.255 1.00 0.00 H new ATOM 0 HG21 VAL A 29 6.111 7.933 -1.295 1.00 0.00 H new ATOM 0 HG22 VAL A 29 5.002 6.544 -1.206 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.496 7.188 -2.790 1.00 0.00 H new ATOM 455 N GLN A 30 1.373 9.617 -2.672 1.00 0.00 N ATOM 456 CA GLN A 30 0.160 10.379 -2.417 1.00 0.00 C ATOM 457 C GLN A 30 -1.042 9.535 -2.793 1.00 0.00 C ATOM 458 O GLN A 30 -2.032 9.488 -2.066 1.00 0.00 O ATOM 459 CB GLN A 30 0.147 11.675 -3.228 1.00 0.00 C ATOM 460 CG GLN A 30 1.296 12.572 -2.779 1.00 0.00 C ATOM 461 CD GLN A 30 1.237 12.784 -1.269 1.00 0.00 C ATOM 462 OE1 GLN A 30 0.182 13.124 -0.730 1.00 0.00 O ATOM 463 NE2 GLN A 30 2.312 12.604 -0.552 1.00 0.00 N ATOM 0 H GLN A 30 2.015 10.037 -3.344 1.00 0.00 H new ATOM 0 HA GLN A 30 0.124 10.637 -1.359 1.00 0.00 H new ATOM 0 HB2 GLN A 30 0.241 11.452 -4.291 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -0.804 12.190 -3.093 1.00 0.00 H new ATOM 0 HG2 GLN A 30 2.249 12.120 -3.054 1.00 0.00 H new ATOM 0 HG3 GLN A 30 1.239 13.532 -3.291 1.00 0.00 H new ATOM 0 HE21 GLN A 30 3.183 12.323 -1.001 1.00 0.00 H new ATOM 0 HE22 GLN A 30 2.281 12.745 0.458 1.00 0.00 H new ATOM 472 N ARG A 31 -0.941 8.843 -3.925 1.00 0.00 N ATOM 473 CA ARG A 31 -2.033 7.984 -4.354 1.00 0.00 C ATOM 474 C ARG A 31 -2.266 6.907 -3.308 1.00 0.00 C ATOM 475 O ARG A 31 -3.404 6.602 -2.957 1.00 0.00 O ATOM 476 CB ARG A 31 -1.711 7.338 -5.700 1.00 0.00 C ATOM 477 CG ARG A 31 -1.699 8.409 -6.789 1.00 0.00 C ATOM 478 CD ARG A 31 -1.528 7.742 -8.151 1.00 0.00 C ATOM 479 NE ARG A 31 -1.331 8.750 -9.186 1.00 0.00 N ATOM 480 CZ ARG A 31 -0.780 8.437 -10.355 1.00 0.00 C ATOM 481 NH1 ARG A 31 -0.578 7.186 -10.667 1.00 0.00 N ATOM 482 NH2 ARG A 31 -0.440 9.381 -11.191 1.00 0.00 N ATOM 0 H ARG A 31 -0.133 8.860 -4.547 1.00 0.00 H new ATOM 0 HA ARG A 31 -2.934 8.587 -4.468 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -0.742 6.840 -5.654 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -2.452 6.574 -5.935 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -2.628 8.979 -6.765 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -0.887 9.114 -6.612 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -0.675 7.064 -8.127 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -2.407 7.140 -8.382 1.00 0.00 H new ATOM 0 HE ARG A 31 -1.621 9.712 -9.010 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -0.843 6.448 -10.014 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -0.155 6.946 -11.564 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -0.597 10.359 -10.947 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -0.017 9.140 -12.088 1.00 0.00 H new ATOM 496 N VAL A 32 -1.179 6.350 -2.789 1.00 0.00 N ATOM 497 CA VAL A 32 -1.285 5.329 -1.759 1.00 0.00 C ATOM 498 C VAL A 32 -1.897 5.932 -0.501 1.00 0.00 C ATOM 499 O VAL A 32 -2.854 5.399 0.056 1.00 0.00 O ATOM 500 CB VAL A 32 0.100 4.757 -1.443 1.00 0.00 C ATOM 501 CG1 VAL A 32 0.025 3.892 -0.183 1.00 0.00 C ATOM 502 CG2 VAL A 32 0.575 3.900 -2.618 1.00 0.00 C ATOM 0 H VAL A 32 -0.225 6.586 -3.062 1.00 0.00 H new ATOM 0 HA VAL A 32 -1.925 4.523 -2.119 1.00 0.00 H new ATOM 0 HB VAL A 32 0.800 5.576 -1.279 1.00 0.00 H new ATOM 0 HG11 VAL A 32 1.012 3.486 0.039 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -0.315 4.500 0.656 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -0.676 3.073 -0.345 1.00 0.00 H new ATOM 0 HG21 VAL A 32 1.561 3.492 -2.395 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.128 3.083 -2.780 1.00 0.00 H new ATOM 0 HG23 VAL A 32 0.631 4.514 -3.517 1.00 0.00 H new ATOM 512 N LYS A 33 -1.341 7.059 -0.066 1.00 0.00 N ATOM 513 CA LYS A 33 -1.838 7.742 1.119 1.00 0.00 C ATOM 514 C LYS A 33 -3.287 8.180 0.936 1.00 0.00 C ATOM 515 O LYS A 33 -4.109 8.040 1.842 1.00 0.00 O ATOM 516 CB LYS A 33 -0.973 8.965 1.401 1.00 0.00 C ATOM 517 CG LYS A 33 0.428 8.514 1.807 1.00 0.00 C ATOM 518 CD LYS A 33 1.247 9.734 2.225 1.00 0.00 C ATOM 519 CE LYS A 33 2.678 9.306 2.560 1.00 0.00 C ATOM 520 NZ LYS A 33 2.941 9.544 4.007 1.00 0.00 N ATOM 0 H LYS A 33 -0.548 7.516 -0.517 1.00 0.00 H new ATOM 0 HA LYS A 33 -1.792 7.048 1.958 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -0.920 9.599 0.516 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -1.419 9.564 2.195 1.00 0.00 H new ATOM 0 HG2 LYS A 33 0.369 7.801 2.630 1.00 0.00 H new ATOM 0 HG3 LYS A 33 0.914 8.003 0.976 1.00 0.00 H new ATOM 0 HD2 LYS A 33 1.256 10.470 1.421 1.00 0.00 H new ATOM 0 HD3 LYS A 33 0.788 10.213 3.090 1.00 0.00 H new ATOM 0 HE2 LYS A 33 2.819 8.252 2.322 1.00 0.00 H new ATOM 0 HE3 LYS A 33 3.388 9.867 1.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 3.913 9.253 4.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 2.823 10.555 4.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 2.271 8.990 4.577 1.00 0.00 H new ATOM 534 N ASN A 34 -3.588 8.725 -0.238 1.00 0.00 N ATOM 535 CA ASN A 34 -4.933 9.199 -0.531 1.00 0.00 C ATOM 536 C ASN A 34 -5.947 8.055 -0.518 1.00 0.00 C ATOM 537 O ASN A 34 -7.048 8.199 0.016 1.00 0.00 O ATOM 538 CB ASN A 34 -4.935 9.883 -1.897 1.00 0.00 C ATOM 539 CG ASN A 34 -4.119 11.174 -1.833 1.00 0.00 C ATOM 540 OD1 ASN A 34 -4.386 12.036 -0.994 1.00 0.00 O ATOM 541 ND2 ASN A 34 -3.129 11.358 -2.668 1.00 0.00 N ATOM 0 H ASN A 34 -2.920 8.849 -0.999 1.00 0.00 H new ATOM 0 HA ASN A 34 -5.226 9.908 0.244 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -4.516 9.214 -2.649 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -5.958 10.104 -2.201 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -2.578 12.215 -2.625 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -2.908 10.644 -3.362 1.00 0.00 H new ATOM 548 N ILE A 35 -5.576 6.922 -1.109 1.00 0.00 N ATOM 549 CA ILE A 35 -6.472 5.767 -1.157 1.00 0.00 C ATOM 550 C ILE A 35 -6.664 5.145 0.225 1.00 0.00 C ATOM 551 O ILE A 35 -7.791 4.861 0.630 1.00 0.00 O ATOM 552 CB ILE A 35 -5.917 4.713 -2.112 1.00 0.00 C ATOM 553 CG1 ILE A 35 -5.915 5.268 -3.538 1.00 0.00 C ATOM 554 CG2 ILE A 35 -6.793 3.460 -2.054 1.00 0.00 C ATOM 555 CD1 ILE A 35 -5.116 4.333 -4.448 1.00 0.00 C ATOM 0 H ILE A 35 -4.671 6.778 -1.557 1.00 0.00 H new ATOM 0 HA ILE A 35 -7.441 6.118 -1.512 1.00 0.00 H new ATOM 0 HB ILE A 35 -4.898 4.458 -1.819 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -6.937 5.363 -3.904 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -5.478 6.266 -3.551 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -6.397 2.707 -2.736 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -6.795 3.064 -1.038 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -7.812 3.714 -2.347 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -5.114 4.728 -5.464 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -4.091 4.261 -4.085 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -5.573 3.343 -4.444 1.00 0.00 H new ATOM 567 N LEU A 36 -5.569 4.929 0.948 1.00 0.00 N ATOM 568 CA LEU A 36 -5.666 4.333 2.278 1.00 0.00 C ATOM 569 C LEU A 36 -6.563 5.182 3.164 1.00 0.00 C ATOM 570 O LEU A 36 -7.431 4.663 3.866 1.00 0.00 O ATOM 571 CB LEU A 36 -4.277 4.216 2.908 1.00 0.00 C ATOM 572 CG LEU A 36 -3.431 3.229 2.102 1.00 0.00 C ATOM 573 CD1 LEU A 36 -2.015 3.190 2.674 1.00 0.00 C ATOM 574 CD2 LEU A 36 -4.053 1.834 2.192 1.00 0.00 C ATOM 0 H LEU A 36 -4.621 5.152 0.644 1.00 0.00 H new ATOM 0 HA LEU A 36 -6.096 3.336 2.184 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -3.793 5.192 2.930 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -4.362 3.879 3.941 1.00 0.00 H new ATOM 0 HG LEU A 36 -3.395 3.546 1.060 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -1.410 2.487 2.101 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -1.571 4.184 2.614 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -2.052 2.871 3.716 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -3.451 1.130 1.618 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -4.087 1.517 3.234 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.065 1.860 1.788 1.00 0.00 H new ATOM 586 N ALA A 37 -6.369 6.492 3.103 1.00 0.00 N ATOM 587 CA ALA A 37 -7.188 7.408 3.879 1.00 0.00 C ATOM 588 C ALA A 37 -8.601 7.419 3.313 1.00 0.00 C ATOM 589 O ALA A 37 -9.515 8.003 3.894 1.00 0.00 O ATOM 590 CB ALA A 37 -6.597 8.818 3.832 1.00 0.00 C ATOM 0 H ALA A 37 -5.656 6.941 2.528 1.00 0.00 H new ATOM 0 HA ALA A 37 -7.212 7.077 4.917 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -7.221 9.494 4.417 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -5.589 8.804 4.246 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -6.560 9.163 2.799 1.00 0.00 H new ATOM 596 N ALA A 38 -8.763 6.766 2.164 1.00 0.00 N ATOM 597 CA ALA A 38 -10.059 6.699 1.505 1.00 0.00 C ATOM 598 C ALA A 38 -10.892 5.565 2.086 1.00 0.00 C ATOM 599 O ALA A 38 -11.985 5.273 1.601 1.00 0.00 O ATOM 600 CB ALA A 38 -9.876 6.488 0.000 1.00 0.00 C ATOM 0 H ALA A 38 -8.013 6.278 1.674 1.00 0.00 H new ATOM 0 HA ALA A 38 -10.580 7.641 1.673 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -10.852 6.439 -0.482 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -9.306 7.318 -0.417 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -9.339 5.556 -0.174 1.00 0.00 H new ATOM 606 N VAL A 39 -10.367 4.926 3.125 1.00 0.00 N ATOM 607 CA VAL A 39 -11.077 3.821 3.754 1.00 0.00 C ATOM 608 C VAL A 39 -10.922 3.848 5.274 1.00 0.00 C ATOM 609 O VAL A 39 -11.592 3.097 5.983 1.00 0.00 O ATOM 610 CB VAL A 39 -10.558 2.488 3.209 1.00 0.00 C ATOM 611 CG1 VAL A 39 -9.039 2.420 3.374 1.00 0.00 C ATOM 612 CG2 VAL A 39 -11.207 1.336 3.981 1.00 0.00 C ATOM 0 H VAL A 39 -9.465 5.150 3.544 1.00 0.00 H new ATOM 0 HA VAL A 39 -12.136 3.929 3.518 1.00 0.00 H new ATOM 0 HB VAL A 39 -10.810 2.407 2.151 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -8.673 1.470 2.985 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -8.576 3.240 2.824 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -8.784 2.502 4.431 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -10.839 0.386 3.594 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -10.956 1.419 5.038 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -12.289 1.382 3.861 1.00 0.00 H new ATOM 622 N GLU A 40 -10.050 4.718 5.776 1.00 0.00 N ATOM 623 CA GLU A 40 -9.842 4.827 7.213 1.00 0.00 C ATOM 624 C GLU A 40 -10.108 3.493 7.899 1.00 0.00 C ATOM 625 O GLU A 40 -9.191 2.700 8.117 1.00 0.00 O ATOM 626 CB GLU A 40 -10.775 5.892 7.794 1.00 0.00 C ATOM 627 CG GLU A 40 -10.457 6.098 9.276 1.00 0.00 C ATOM 628 CD GLU A 40 -11.461 7.065 9.894 1.00 0.00 C ATOM 629 OE1 GLU A 40 -12.337 7.517 9.174 1.00 0.00 O ATOM 630 OE2 GLU A 40 -11.342 7.338 11.076 1.00 0.00 O ATOM 0 H GLU A 40 -9.482 5.351 5.214 1.00 0.00 H new ATOM 0 HA GLU A 40 -8.805 5.112 7.389 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -10.655 6.830 7.252 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -11.814 5.585 7.674 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -10.490 5.143 9.800 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -9.446 6.489 9.389 1.00 0.00 H new ATOM 637 N ALA A 41 -11.369 3.255 8.241 1.00 0.00 N ATOM 638 CA ALA A 41 -11.748 2.017 8.907 1.00 0.00 C ATOM 639 C ALA A 41 -11.445 2.110 10.399 1.00 0.00 C ATOM 640 O ALA A 41 -10.806 3.060 10.852 1.00 0.00 O ATOM 641 CB ALA A 41 -10.988 0.838 8.297 1.00 0.00 C ATOM 0 H ALA A 41 -12.141 3.899 8.069 1.00 0.00 H new ATOM 0 HA ALA A 41 -12.818 1.860 8.770 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -11.279 -0.083 8.802 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -11.227 0.761 7.236 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -9.916 0.995 8.417 1.00 0.00 H new ATOM 647 N THR A 42 -11.903 1.123 11.159 1.00 0.00 N ATOM 648 CA THR A 42 -11.667 1.115 12.597 1.00 0.00 C ATOM 649 C THR A 42 -10.215 0.747 12.889 1.00 0.00 C ATOM 650 O THR A 42 -9.770 0.793 14.036 1.00 0.00 O ATOM 651 CB THR A 42 -12.600 0.107 13.271 1.00 0.00 C ATOM 652 OG1 THR A 42 -12.231 -1.209 12.890 1.00 0.00 O ATOM 653 CG2 THR A 42 -14.043 0.378 12.839 1.00 0.00 C ATOM 0 H THR A 42 -12.434 0.326 10.809 1.00 0.00 H new ATOM 0 HA THR A 42 -11.867 2.111 12.992 1.00 0.00 H new ATOM 0 HB THR A 42 -12.520 0.207 14.353 1.00 0.00 H new ATOM 0 HG1 THR A 42 -12.828 -1.854 13.323 1.00 0.00 H new ATOM 0 HG21 THR A 42 -14.708 -0.340 13.319 1.00 0.00 H new ATOM 0 HG22 THR A 42 -14.327 1.388 13.133 1.00 0.00 H new ATOM 0 HG23 THR A 42 -14.123 0.279 11.756 1.00 0.00 H new ATOM 661 N VAL A 43 -9.486 0.376 11.842 1.00 0.00 N ATOM 662 CA VAL A 43 -8.092 -0.008 11.982 1.00 0.00 C ATOM 663 C VAL A 43 -7.213 0.745 10.979 1.00 0.00 C ATOM 664 O VAL A 43 -6.884 0.214 9.919 1.00 0.00 O ATOM 665 CB VAL A 43 -7.966 -1.509 11.739 1.00 0.00 C ATOM 666 CG1 VAL A 43 -8.344 -2.270 13.011 1.00 0.00 C ATOM 667 CG2 VAL A 43 -8.911 -1.916 10.608 1.00 0.00 C ATOM 0 H VAL A 43 -9.841 0.334 10.887 1.00 0.00 H new ATOM 0 HA VAL A 43 -7.757 0.244 12.988 1.00 0.00 H new ATOM 0 HB VAL A 43 -6.938 -1.748 11.467 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -8.253 -3.342 12.834 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -7.676 -1.978 13.822 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -9.372 -2.033 13.285 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -8.825 -2.988 10.430 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -9.937 -1.676 10.887 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -8.646 -1.375 9.700 1.00 0.00 H new ATOM 677 N PRO A 44 -6.830 1.963 11.286 1.00 0.00 N ATOM 678 CA PRO A 44 -5.980 2.776 10.371 1.00 0.00 C ATOM 679 C PRO A 44 -4.691 2.053 9.989 1.00 0.00 C ATOM 680 O PRO A 44 -4.192 1.213 10.738 1.00 0.00 O ATOM 681 CB PRO A 44 -5.674 4.066 11.140 1.00 0.00 C ATOM 682 CG PRO A 44 -6.352 3.975 12.472 1.00 0.00 C ATOM 683 CD PRO A 44 -7.169 2.681 12.523 1.00 0.00 C ATOM 0 HA PRO A 44 -6.495 2.969 9.430 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -4.598 4.190 11.266 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -6.032 4.935 10.587 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -5.613 3.986 13.273 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -7.001 4.837 12.625 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -6.916 2.090 13.403 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -8.237 2.891 12.576 1.00 0.00 H new ATOM 691 N ILE A 45 -4.164 2.376 8.809 1.00 0.00 N ATOM 692 CA ILE A 45 -2.942 1.740 8.329 1.00 0.00 C ATOM 693 C ILE A 45 -1.742 2.668 8.455 1.00 0.00 C ATOM 694 O ILE A 45 -1.860 3.881 8.287 1.00 0.00 O ATOM 695 CB ILE A 45 -3.091 1.350 6.861 1.00 0.00 C ATOM 696 CG1 ILE A 45 -4.392 0.568 6.666 1.00 0.00 C ATOM 697 CG2 ILE A 45 -1.899 0.482 6.451 1.00 0.00 C ATOM 698 CD1 ILE A 45 -5.491 1.522 6.188 1.00 0.00 C ATOM 0 H ILE A 45 -4.561 3.068 8.174 1.00 0.00 H new ATOM 0 HA ILE A 45 -2.778 0.856 8.945 1.00 0.00 H new ATOM 0 HB ILE A 45 -3.120 2.247 6.243 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -4.245 -0.229 5.937 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -4.688 0.094 7.602 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -1.998 0.199 5.403 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -0.975 1.044 6.589 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -1.873 -0.416 7.068 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -6.419 0.967 6.048 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -5.644 2.303 6.933 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -5.193 1.975 5.242 1.00 0.00 H new ATOM 710 N SER A 46 -0.578 2.083 8.725 1.00 0.00 N ATOM 711 CA SER A 46 0.646 2.864 8.840 1.00 0.00 C ATOM 712 C SER A 46 1.493 2.673 7.586 1.00 0.00 C ATOM 713 O SER A 46 1.820 1.547 7.214 1.00 0.00 O ATOM 714 CB SER A 46 1.440 2.419 10.069 1.00 0.00 C ATOM 715 OG SER A 46 2.618 3.207 10.177 1.00 0.00 O ATOM 0 H SER A 46 -0.459 1.080 8.867 1.00 0.00 H new ATOM 0 HA SER A 46 0.387 3.917 8.948 1.00 0.00 H new ATOM 0 HB2 SER A 46 0.833 2.527 10.968 1.00 0.00 H new ATOM 0 HB3 SER A 46 1.701 1.364 9.986 1.00 0.00 H new ATOM 0 HG SER A 46 3.129 2.926 10.965 1.00 0.00 H new ATOM 721 N LEU A 47 1.836 3.777 6.930 1.00 0.00 N ATOM 722 CA LEU A 47 2.633 3.704 5.710 1.00 0.00 C ATOM 723 C LEU A 47 4.072 4.137 5.972 1.00 0.00 C ATOM 724 O LEU A 47 4.320 5.250 6.436 1.00 0.00 O ATOM 725 CB LEU A 47 2.019 4.611 4.640 1.00 0.00 C ATOM 726 CG LEU A 47 2.361 4.092 3.239 1.00 0.00 C ATOM 727 CD1 LEU A 47 2.050 5.181 2.212 1.00 0.00 C ATOM 728 CD2 LEU A 47 3.847 3.732 3.153 1.00 0.00 C ATOM 0 H LEU A 47 1.579 4.721 7.217 1.00 0.00 H new ATOM 0 HA LEU A 47 2.637 2.670 5.365 1.00 0.00 H new ATOM 0 HB2 LEU A 47 0.937 4.651 4.766 1.00 0.00 H new ATOM 0 HB3 LEU A 47 2.392 5.628 4.759 1.00 0.00 H new ATOM 0 HG LEU A 47 1.767 3.201 3.036 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.291 4.818 1.213 1.00 0.00 H new ATOM 0 HD12 LEU A 47 0.991 5.435 2.260 1.00 0.00 H new ATOM 0 HD13 LEU A 47 2.646 6.067 2.430 1.00 0.00 H new ATOM 0 HD21 LEU A 47 4.075 3.365 2.152 1.00 0.00 H new ATOM 0 HD22 LEU A 47 4.448 4.617 3.361 1.00 0.00 H new ATOM 0 HD23 LEU A 47 4.077 2.957 3.885 1.00 0.00 H new ATOM 740 N GLN A 48 5.016 3.260 5.653 1.00 0.00 N ATOM 741 CA GLN A 48 6.427 3.569 5.837 1.00 0.00 C ATOM 742 C GLN A 48 7.183 3.373 4.527 1.00 0.00 C ATOM 743 O GLN A 48 6.984 2.383 3.824 1.00 0.00 O ATOM 744 CB GLN A 48 7.027 2.674 6.923 1.00 0.00 C ATOM 745 CG GLN A 48 7.186 3.470 8.217 1.00 0.00 C ATOM 746 CD GLN A 48 7.921 2.627 9.254 1.00 0.00 C ATOM 747 OE1 GLN A 48 7.492 1.516 9.568 1.00 0.00 O ATOM 748 NE2 GLN A 48 9.010 3.088 9.805 1.00 0.00 N ATOM 0 H GLN A 48 4.831 2.334 5.268 1.00 0.00 H new ATOM 0 HA GLN A 48 6.518 4.610 6.147 1.00 0.00 H new ATOM 0 HB2 GLN A 48 6.384 1.811 7.093 1.00 0.00 H new ATOM 0 HB3 GLN A 48 7.995 2.292 6.599 1.00 0.00 H new ATOM 0 HG2 GLN A 48 7.739 4.389 8.024 1.00 0.00 H new ATOM 0 HG3 GLN A 48 6.207 3.761 8.599 1.00 0.00 H new ATOM 0 HE21 GLN A 48 9.364 4.008 9.544 1.00 0.00 H new ATOM 0 HE22 GLN A 48 9.508 2.528 10.497 1.00 0.00 H new ATOM 757 N VAL A 49 8.046 4.327 4.200 1.00 0.00 N ATOM 758 CA VAL A 49 8.820 4.252 2.964 1.00 0.00 C ATOM 759 C VAL A 49 10.237 3.779 3.235 1.00 0.00 C ATOM 760 O VAL A 49 10.905 4.267 4.148 1.00 0.00 O ATOM 761 CB VAL A 49 8.890 5.620 2.287 1.00 0.00 C ATOM 762 CG1 VAL A 49 9.411 5.456 0.858 1.00 0.00 C ATOM 763 CG2 VAL A 49 7.499 6.256 2.256 1.00 0.00 C ATOM 0 H VAL A 49 8.228 5.155 4.767 1.00 0.00 H new ATOM 0 HA VAL A 49 8.316 3.539 2.311 1.00 0.00 H new ATOM 0 HB VAL A 49 9.565 6.265 2.849 1.00 0.00 H new ATOM 0 HG11 VAL A 49 9.461 6.432 0.375 1.00 0.00 H new ATOM 0 HG12 VAL A 49 10.406 5.012 0.882 1.00 0.00 H new ATOM 0 HG13 VAL A 49 8.738 4.808 0.297 1.00 0.00 H new ATOM 0 HG21 VAL A 49 7.555 7.231 1.772 1.00 0.00 H new ATOM 0 HG22 VAL A 49 6.817 5.613 1.699 1.00 0.00 H new ATOM 0 HG23 VAL A 49 7.132 6.377 3.275 1.00 0.00 H new ATOM 773 N ILE A 50 10.700 2.846 2.420 1.00 0.00 N ATOM 774 CA ILE A 50 12.047 2.334 2.556 1.00 0.00 C ATOM 775 C ILE A 50 12.827 2.667 1.297 1.00 0.00 C ATOM 776 O ILE A 50 12.377 2.379 0.189 1.00 0.00 O ATOM 777 CB ILE A 50 12.009 0.821 2.761 1.00 0.00 C ATOM 778 CG1 ILE A 50 11.004 0.497 3.868 1.00 0.00 C ATOM 779 CG2 ILE A 50 13.397 0.326 3.171 1.00 0.00 C ATOM 780 CD1 ILE A 50 11.040 -1.002 4.173 1.00 0.00 C ATOM 0 H ILE A 50 10.162 2.430 1.660 1.00 0.00 H new ATOM 0 HA ILE A 50 12.530 2.791 3.420 1.00 0.00 H new ATOM 0 HB ILE A 50 11.712 0.329 1.835 1.00 0.00 H new ATOM 0 HG12 ILE A 50 11.241 1.067 4.766 1.00 0.00 H new ATOM 0 HG13 ILE A 50 10.001 0.791 3.560 1.00 0.00 H new ATOM 0 HG21 ILE A 50 13.370 -0.754 3.317 1.00 0.00 H new ATOM 0 HG22 ILE A 50 14.116 0.568 2.388 1.00 0.00 H new ATOM 0 HG23 ILE A 50 13.696 0.811 4.100 1.00 0.00 H new ATOM 0 HD11 ILE A 50 10.323 -1.230 4.962 1.00 0.00 H new ATOM 0 HD12 ILE A 50 10.781 -1.562 3.275 1.00 0.00 H new ATOM 0 HD13 ILE A 50 12.041 -1.283 4.500 1.00 0.00 H new ATOM 792 N ASN A 51 13.989 3.284 1.461 1.00 0.00 N ATOM 793 CA ASN A 51 14.787 3.650 0.304 1.00 0.00 C ATOM 794 C ASN A 51 15.615 2.457 -0.160 1.00 0.00 C ATOM 795 O ASN A 51 16.589 2.074 0.486 1.00 0.00 O ATOM 796 CB ASN A 51 15.712 4.821 0.640 1.00 0.00 C ATOM 797 CG ASN A 51 15.060 6.138 0.228 1.00 0.00 C ATOM 798 OD1 ASN A 51 14.063 6.140 -0.494 1.00 0.00 O ATOM 799 ND2 ASN A 51 15.570 7.265 0.643 1.00 0.00 N ATOM 0 H ASN A 51 14.392 3.536 2.364 1.00 0.00 H new ATOM 0 HA ASN A 51 14.113 3.953 -0.498 1.00 0.00 H new ATOM 0 HB2 ASN A 51 15.926 4.831 1.709 1.00 0.00 H new ATOM 0 HB3 ASN A 51 16.665 4.701 0.125 1.00 0.00 H new ATOM 0 HD21 ASN A 51 15.143 8.150 0.369 1.00 0.00 H new ATOM 0 HD22 ASN A 51 16.396 7.261 1.241 1.00 0.00 H new ATOM 806 N VAL A 52 15.209 1.874 -1.282 1.00 0.00 N ATOM 807 CA VAL A 52 15.905 0.717 -1.833 1.00 0.00 C ATOM 808 C VAL A 52 17.363 1.046 -2.131 1.00 0.00 C ATOM 809 O VAL A 52 18.240 0.190 -2.012 1.00 0.00 O ATOM 810 CB VAL A 52 15.214 0.267 -3.119 1.00 0.00 C ATOM 811 CG1 VAL A 52 13.713 0.118 -2.871 1.00 0.00 C ATOM 812 CG2 VAL A 52 15.445 1.314 -4.210 1.00 0.00 C ATOM 0 H VAL A 52 14.404 2.182 -1.827 1.00 0.00 H new ATOM 0 HA VAL A 52 15.875 -0.084 -1.094 1.00 0.00 H new ATOM 0 HB VAL A 52 15.626 -0.691 -3.435 1.00 0.00 H new ATOM 0 HG11 VAL A 52 13.223 -0.203 -3.790 1.00 0.00 H new ATOM 0 HG12 VAL A 52 13.545 -0.625 -2.091 1.00 0.00 H new ATOM 0 HG13 VAL A 52 13.300 1.076 -2.555 1.00 0.00 H new ATOM 0 HG21 VAL A 52 14.953 0.996 -5.129 1.00 0.00 H new ATOM 0 HG22 VAL A 52 15.032 2.271 -3.890 1.00 0.00 H new ATOM 0 HG23 VAL A 52 16.515 1.422 -4.390 1.00 0.00 H new ATOM 822 N ALA A 53 17.616 2.289 -2.523 1.00 0.00 N ATOM 823 CA ALA A 53 18.969 2.716 -2.839 1.00 0.00 C ATOM 824 C ALA A 53 19.802 2.816 -1.572 1.00 0.00 C ATOM 825 O ALA A 53 21.031 2.787 -1.621 1.00 0.00 O ATOM 826 CB ALA A 53 18.936 4.078 -3.535 1.00 0.00 C ATOM 0 H ALA A 53 16.905 3.013 -2.628 1.00 0.00 H new ATOM 0 HA ALA A 53 19.419 1.978 -3.503 1.00 0.00 H new ATOM 0 HB1 ALA A 53 19.953 4.392 -3.769 1.00 0.00 H new ATOM 0 HB2 ALA A 53 18.359 4.002 -4.457 1.00 0.00 H new ATOM 0 HB3 ALA A 53 18.472 4.812 -2.876 1.00 0.00 H new ATOM 832 N ASP A 54 19.126 2.942 -0.438 1.00 0.00 N ATOM 833 CA ASP A 54 19.823 3.056 0.829 1.00 0.00 C ATOM 834 C ASP A 54 19.973 1.692 1.496 1.00 0.00 C ATOM 835 O ASP A 54 20.856 1.495 2.331 1.00 0.00 O ATOM 836 CB ASP A 54 19.063 4.001 1.761 1.00 0.00 C ATOM 837 CG ASP A 54 19.085 5.418 1.197 1.00 0.00 C ATOM 838 OD1 ASP A 54 19.892 5.672 0.317 1.00 0.00 O ATOM 839 OD2 ASP A 54 18.294 6.227 1.651 1.00 0.00 O ATOM 0 H ASP A 54 18.108 2.967 -0.372 1.00 0.00 H new ATOM 0 HA ASP A 54 20.817 3.457 0.633 1.00 0.00 H new ATOM 0 HB2 ASP A 54 18.033 3.662 1.875 1.00 0.00 H new ATOM 0 HB3 ASP A 54 19.515 3.988 2.753 1.00 0.00 H new ATOM 844 N GLN A 55 19.101 0.757 1.133 1.00 0.00 N ATOM 845 CA GLN A 55 19.150 -0.576 1.721 1.00 0.00 C ATOM 846 C GLN A 55 18.621 -1.631 0.754 1.00 0.00 C ATOM 847 O GLN A 55 17.485 -2.085 0.877 1.00 0.00 O ATOM 848 CB GLN A 55 18.320 -0.595 3.002 1.00 0.00 C ATOM 849 CG GLN A 55 16.871 -0.231 2.673 1.00 0.00 C ATOM 850 CD GLN A 55 16.309 0.695 3.747 1.00 0.00 C ATOM 851 OE1 GLN A 55 16.293 0.343 4.926 1.00 0.00 O ATOM 852 NE2 GLN A 55 15.844 1.867 3.408 1.00 0.00 N ATOM 0 H GLN A 55 18.362 0.895 0.444 1.00 0.00 H new ATOM 0 HA GLN A 55 20.190 -0.813 1.944 1.00 0.00 H new ATOM 0 HB2 GLN A 55 18.363 -1.582 3.462 1.00 0.00 H new ATOM 0 HB3 GLN A 55 18.729 0.111 3.724 1.00 0.00 H new ATOM 0 HG2 GLN A 55 16.822 0.256 1.699 1.00 0.00 H new ATOM 0 HG3 GLN A 55 16.266 -1.135 2.608 1.00 0.00 H new ATOM 0 HE21 GLN A 55 15.858 2.158 2.430 1.00 0.00 H new ATOM 0 HE22 GLN A 55 15.467 2.492 4.121 1.00 0.00 H new ATOM 861 N PRO A 56 19.428 -2.025 -0.191 1.00 0.00 N ATOM 862 CA PRO A 56 19.060 -3.054 -1.205 1.00 0.00 C ATOM 863 C PRO A 56 19.056 -4.466 -0.622 1.00 0.00 C ATOM 864 O PRO A 56 18.694 -5.430 -1.299 1.00 0.00 O ATOM 865 CB PRO A 56 20.136 -2.927 -2.290 1.00 0.00 C ATOM 866 CG PRO A 56 21.066 -1.829 -1.867 1.00 0.00 C ATOM 867 CD PRO A 56 20.790 -1.533 -0.395 1.00 0.00 C ATOM 0 HA PRO A 56 18.050 -2.893 -1.583 1.00 0.00 H new ATOM 0 HB2 PRO A 56 20.677 -3.866 -2.407 1.00 0.00 H new ATOM 0 HB3 PRO A 56 19.684 -2.698 -3.255 1.00 0.00 H new ATOM 0 HG2 PRO A 56 22.104 -2.130 -2.009 1.00 0.00 H new ATOM 0 HG3 PRO A 56 20.907 -0.937 -2.473 1.00 0.00 H new ATOM 0 HD2 PRO A 56 21.501 -2.042 0.256 1.00 0.00 H new ATOM 0 HD3 PRO A 56 20.867 -0.467 -0.180 1.00 0.00 H new ATOM 875 N GLN A 57 19.491 -4.579 0.626 1.00 0.00 N ATOM 876 CA GLN A 57 19.571 -5.879 1.286 1.00 0.00 C ATOM 877 C GLN A 57 18.196 -6.468 1.594 1.00 0.00 C ATOM 878 O GLN A 57 17.938 -7.631 1.281 1.00 0.00 O ATOM 879 CB GLN A 57 20.359 -5.738 2.588 1.00 0.00 C ATOM 880 CG GLN A 57 20.165 -6.993 3.440 1.00 0.00 C ATOM 881 CD GLN A 57 21.065 -6.931 4.669 1.00 0.00 C ATOM 882 OE1 GLN A 57 21.959 -6.087 4.740 1.00 0.00 O ATOM 883 NE2 GLN A 57 20.880 -7.774 5.646 1.00 0.00 N ATOM 0 H GLN A 57 19.793 -3.792 1.201 1.00 0.00 H new ATOM 0 HA GLN A 57 20.073 -6.561 0.599 1.00 0.00 H new ATOM 0 HB2 GLN A 57 21.417 -5.593 2.371 1.00 0.00 H new ATOM 0 HB3 GLN A 57 20.022 -4.858 3.136 1.00 0.00 H new ATOM 0 HG2 GLN A 57 19.122 -7.077 3.746 1.00 0.00 H new ATOM 0 HG3 GLN A 57 20.398 -7.881 2.853 1.00 0.00 H new ATOM 0 HE21 GLN A 57 20.139 -8.472 5.584 1.00 0.00 H new ATOM 0 HE22 GLN A 57 21.477 -7.736 6.472 1.00 0.00 H new ATOM 892 N LEU A 58 17.315 -5.688 2.211 1.00 0.00 N ATOM 893 CA LEU A 58 15.996 -6.197 2.538 1.00 0.00 C ATOM 894 C LEU A 58 15.131 -6.268 1.284 1.00 0.00 C ATOM 895 O LEU A 58 14.179 -7.046 1.220 1.00 0.00 O ATOM 896 CB LEU A 58 15.343 -5.339 3.623 1.00 0.00 C ATOM 897 CG LEU A 58 15.400 -3.860 3.238 1.00 0.00 C ATOM 898 CD1 LEU A 58 14.020 -3.404 2.776 1.00 0.00 C ATOM 899 CD2 LEU A 58 15.821 -3.029 4.454 1.00 0.00 C ATOM 0 H LEU A 58 17.488 -4.722 2.488 1.00 0.00 H new ATOM 0 HA LEU A 58 16.095 -7.208 2.933 1.00 0.00 H new ATOM 0 HB2 LEU A 58 14.306 -5.645 3.763 1.00 0.00 H new ATOM 0 HB3 LEU A 58 15.853 -5.494 4.574 1.00 0.00 H new ATOM 0 HG LEU A 58 16.123 -3.724 2.434 1.00 0.00 H new ATOM 0 HD11 LEU A 58 14.058 -2.350 2.501 1.00 0.00 H new ATOM 0 HD12 LEU A 58 13.712 -3.993 1.912 1.00 0.00 H new ATOM 0 HD13 LEU A 58 13.302 -3.542 3.584 1.00 0.00 H new ATOM 0 HD21 LEU A 58 15.861 -1.975 4.178 1.00 0.00 H new ATOM 0 HD22 LEU A 58 15.097 -3.167 5.257 1.00 0.00 H new ATOM 0 HD23 LEU A 58 16.805 -3.353 4.793 1.00 0.00 H new ATOM 911 N VAL A 59 15.480 -5.467 0.279 1.00 0.00 N ATOM 912 CA VAL A 59 14.736 -5.472 -0.976 1.00 0.00 C ATOM 913 C VAL A 59 14.856 -6.848 -1.620 1.00 0.00 C ATOM 914 O VAL A 59 13.864 -7.445 -2.035 1.00 0.00 O ATOM 915 CB VAL A 59 15.306 -4.419 -1.928 1.00 0.00 C ATOM 916 CG1 VAL A 59 14.360 -4.245 -3.115 1.00 0.00 C ATOM 917 CG2 VAL A 59 15.458 -3.083 -1.196 1.00 0.00 C ATOM 0 H VAL A 59 16.263 -4.814 0.309 1.00 0.00 H new ATOM 0 HA VAL A 59 13.690 -5.242 -0.775 1.00 0.00 H new ATOM 0 HB VAL A 59 16.284 -4.746 -2.282 1.00 0.00 H new ATOM 0 HG11 VAL A 59 14.764 -3.495 -3.795 1.00 0.00 H new ATOM 0 HG12 VAL A 59 14.258 -5.194 -3.641 1.00 0.00 H new ATOM 0 HG13 VAL A 59 13.383 -3.921 -2.757 1.00 0.00 H new ATOM 0 HG21 VAL A 59 15.864 -2.338 -1.880 1.00 0.00 H new ATOM 0 HG22 VAL A 59 14.484 -2.752 -0.836 1.00 0.00 H new ATOM 0 HG23 VAL A 59 16.134 -3.206 -0.350 1.00 0.00 H new ATOM 927 N GLU A 60 16.083 -7.357 -1.676 1.00 0.00 N ATOM 928 CA GLU A 60 16.326 -8.674 -2.249 1.00 0.00 C ATOM 929 C GLU A 60 15.741 -9.755 -1.348 1.00 0.00 C ATOM 930 O GLU A 60 15.285 -10.794 -1.824 1.00 0.00 O ATOM 931 CB GLU A 60 17.829 -8.901 -2.421 1.00 0.00 C ATOM 932 CG GLU A 60 18.372 -7.921 -3.461 1.00 0.00 C ATOM 933 CD GLU A 60 19.857 -8.174 -3.695 1.00 0.00 C ATOM 934 OE1 GLU A 60 20.423 -8.974 -2.969 1.00 0.00 O ATOM 935 OE2 GLU A 60 20.407 -7.560 -4.594 1.00 0.00 O ATOM 0 H GLU A 60 16.918 -6.881 -1.334 1.00 0.00 H new ATOM 0 HA GLU A 60 15.843 -8.726 -3.225 1.00 0.00 H new ATOM 0 HB2 GLU A 60 18.341 -8.760 -1.469 1.00 0.00 H new ATOM 0 HB3 GLU A 60 18.020 -9.927 -2.737 1.00 0.00 H new ATOM 0 HG2 GLU A 60 17.824 -8.032 -4.397 1.00 0.00 H new ATOM 0 HG3 GLU A 60 18.219 -6.897 -3.121 1.00 0.00 H new ATOM 942 N TYR A 61 15.751 -9.498 -0.043 1.00 0.00 N ATOM 943 CA TYR A 61 15.209 -10.456 0.912 1.00 0.00 C ATOM 944 C TYR A 61 13.773 -10.790 0.538 1.00 0.00 C ATOM 945 O TYR A 61 13.356 -11.947 0.581 1.00 0.00 O ATOM 946 CB TYR A 61 15.260 -9.872 2.326 1.00 0.00 C ATOM 947 CG TYR A 61 14.845 -10.926 3.323 1.00 0.00 C ATOM 948 CD1 TYR A 61 15.773 -11.881 3.756 1.00 0.00 C ATOM 949 CD2 TYR A 61 13.535 -10.949 3.819 1.00 0.00 C ATOM 950 CE1 TYR A 61 15.393 -12.858 4.682 1.00 0.00 C ATOM 951 CE2 TYR A 61 13.155 -11.927 4.745 1.00 0.00 C ATOM 952 CZ TYR A 61 14.084 -12.882 5.177 1.00 0.00 C ATOM 953 OH TYR A 61 13.708 -13.847 6.090 1.00 0.00 O ATOM 0 H TYR A 61 16.124 -8.644 0.373 1.00 0.00 H new ATOM 0 HA TYR A 61 15.808 -11.366 0.887 1.00 0.00 H new ATOM 0 HB2 TYR A 61 16.268 -9.522 2.550 1.00 0.00 H new ATOM 0 HB3 TYR A 61 14.599 -9.008 2.398 1.00 0.00 H new ATOM 0 HD1 TYR A 61 16.783 -11.863 3.375 1.00 0.00 H new ATOM 0 HD2 TYR A 61 12.819 -10.212 3.487 1.00 0.00 H new ATOM 0 HE1 TYR A 61 16.110 -13.594 5.015 1.00 0.00 H new ATOM 0 HE2 TYR A 61 12.145 -11.945 5.127 1.00 0.00 H new ATOM 0 HH TYR A 61 12.767 -13.720 6.331 1.00 0.00 H new ATOM 963 N TYR A 62 13.029 -9.762 0.148 1.00 0.00 N ATOM 964 CA TYR A 62 11.647 -9.932 -0.265 1.00 0.00 C ATOM 965 C TYR A 62 11.604 -10.322 -1.733 1.00 0.00 C ATOM 966 O TYR A 62 10.555 -10.260 -2.375 1.00 0.00 O ATOM 967 CB TYR A 62 10.894 -8.615 -0.073 1.00 0.00 C ATOM 968 CG TYR A 62 10.803 -8.281 1.392 1.00 0.00 C ATOM 969 CD1 TYR A 62 10.134 -9.141 2.269 1.00 0.00 C ATOM 970 CD2 TYR A 62 11.389 -7.106 1.873 1.00 0.00 C ATOM 971 CE1 TYR A 62 10.051 -8.824 3.630 1.00 0.00 C ATOM 972 CE2 TYR A 62 11.306 -6.788 3.232 1.00 0.00 C ATOM 973 CZ TYR A 62 10.638 -7.647 4.112 1.00 0.00 C ATOM 974 OH TYR A 62 10.559 -7.335 5.454 1.00 0.00 O ATOM 0 H TYR A 62 13.364 -8.799 0.110 1.00 0.00 H new ATOM 0 HA TYR A 62 11.181 -10.712 0.337 1.00 0.00 H new ATOM 0 HB2 TYR A 62 11.406 -7.813 -0.606 1.00 0.00 H new ATOM 0 HB3 TYR A 62 9.894 -8.693 -0.499 1.00 0.00 H new ATOM 0 HD1 TYR A 62 9.682 -10.048 1.897 1.00 0.00 H new ATOM 0 HD2 TYR A 62 11.906 -6.444 1.194 1.00 0.00 H new ATOM 0 HE1 TYR A 62 9.534 -9.487 4.308 1.00 0.00 H new ATOM 0 HE2 TYR A 62 11.757 -5.880 3.603 1.00 0.00 H new ATOM 0 HH TYR A 62 11.019 -6.486 5.620 1.00 0.00 H new ATOM 984 N ARG A 63 12.763 -10.691 -2.268 1.00 0.00 N ATOM 985 CA ARG A 63 12.861 -11.050 -3.672 1.00 0.00 C ATOM 986 C ARG A 63 12.468 -9.842 -4.507 1.00 0.00 C ATOM 987 O ARG A 63 12.382 -9.908 -5.732 1.00 0.00 O ATOM 988 CB ARG A 63 11.947 -12.231 -3.984 1.00 0.00 C ATOM 989 CG ARG A 63 12.418 -13.454 -3.197 1.00 0.00 C ATOM 990 CD ARG A 63 11.647 -14.686 -3.664 1.00 0.00 C ATOM 991 NE ARG A 63 11.784 -15.766 -2.693 1.00 0.00 N ATOM 992 CZ ARG A 63 11.196 -15.695 -1.504 1.00 0.00 C ATOM 993 NH1 ARG A 63 10.112 -14.984 -1.352 1.00 0.00 N ATOM 994 NH2 ARG A 63 11.701 -16.336 -0.485 1.00 0.00 N ATOM 0 H ARG A 63 13.641 -10.748 -1.752 1.00 0.00 H new ATOM 0 HA ARG A 63 13.883 -11.346 -3.907 1.00 0.00 H new ATOM 0 HB2 ARG A 63 10.917 -11.989 -3.721 1.00 0.00 H new ATOM 0 HB3 ARG A 63 11.961 -12.444 -5.053 1.00 0.00 H new ATOM 0 HG2 ARG A 63 13.488 -13.604 -3.343 1.00 0.00 H new ATOM 0 HG3 ARG A 63 12.261 -13.296 -2.130 1.00 0.00 H new ATOM 0 HD2 ARG A 63 10.594 -14.437 -3.795 1.00 0.00 H new ATOM 0 HD3 ARG A 63 12.021 -15.011 -4.635 1.00 0.00 H new ATOM 0 HE ARG A 63 12.340 -16.588 -2.931 1.00 0.00 H new ATOM 0 HH11 ARG A 63 9.716 -14.482 -2.147 1.00 0.00 H new ATOM 0 HH12 ARG A 63 9.661 -14.930 -0.439 1.00 0.00 H new ATOM 0 HH21 ARG A 63 12.548 -16.892 -0.601 1.00 0.00 H new ATOM 0 HH22 ARG A 63 11.249 -16.281 0.427 1.00 0.00 H new ATOM 1008 N LEU A 64 12.238 -8.736 -3.807 1.00 0.00 N ATOM 1009 CA LEU A 64 11.857 -7.480 -4.437 1.00 0.00 C ATOM 1010 C LEU A 64 12.993 -6.991 -5.334 1.00 0.00 C ATOM 1011 O LEU A 64 14.147 -6.942 -4.909 1.00 0.00 O ATOM 1012 CB LEU A 64 11.569 -6.451 -3.335 1.00 0.00 C ATOM 1013 CG LEU A 64 10.699 -5.308 -3.853 1.00 0.00 C ATOM 1014 CD1 LEU A 64 11.445 -4.538 -4.936 1.00 0.00 C ATOM 1015 CD2 LEU A 64 9.395 -5.870 -4.418 1.00 0.00 C ATOM 0 H LEU A 64 12.310 -8.686 -2.791 1.00 0.00 H new ATOM 0 HA LEU A 64 10.967 -7.619 -5.051 1.00 0.00 H new ATOM 0 HB2 LEU A 64 11.069 -6.941 -2.499 1.00 0.00 H new ATOM 0 HB3 LEU A 64 12.509 -6.051 -2.954 1.00 0.00 H new ATOM 0 HG LEU A 64 10.470 -4.630 -3.031 1.00 0.00 H new ATOM 0 HD11 LEU A 64 10.818 -3.724 -5.301 1.00 0.00 H new ATOM 0 HD12 LEU A 64 12.367 -4.129 -4.522 1.00 0.00 H new ATOM 0 HD13 LEU A 64 11.684 -5.209 -5.761 1.00 0.00 H new ATOM 0 HD21 LEU A 64 8.776 -5.052 -4.787 1.00 0.00 H new ATOM 0 HD22 LEU A 64 9.618 -6.554 -5.237 1.00 0.00 H new ATOM 0 HD23 LEU A 64 8.859 -6.405 -3.634 1.00 0.00 H new ATOM 1027 N VAL A 65 12.673 -6.647 -6.578 1.00 0.00 N ATOM 1028 CA VAL A 65 13.698 -6.181 -7.507 1.00 0.00 C ATOM 1029 C VAL A 65 13.183 -5.047 -8.395 1.00 0.00 C ATOM 1030 O VAL A 65 13.950 -4.454 -9.154 1.00 0.00 O ATOM 1031 CB VAL A 65 14.170 -7.335 -8.395 1.00 0.00 C ATOM 1032 CG1 VAL A 65 15.504 -6.966 -9.049 1.00 0.00 C ATOM 1033 CG2 VAL A 65 14.355 -8.596 -7.548 1.00 0.00 C ATOM 0 H VAL A 65 11.729 -6.681 -6.962 1.00 0.00 H new ATOM 0 HA VAL A 65 14.529 -5.804 -6.911 1.00 0.00 H new ATOM 0 HB VAL A 65 13.423 -7.522 -9.167 1.00 0.00 H new ATOM 0 HG11 VAL A 65 15.839 -7.788 -9.681 1.00 0.00 H new ATOM 0 HG12 VAL A 65 15.376 -6.070 -9.657 1.00 0.00 H new ATOM 0 HG13 VAL A 65 16.248 -6.776 -8.276 1.00 0.00 H new ATOM 0 HG21 VAL A 65 14.691 -9.415 -8.184 1.00 0.00 H new ATOM 0 HG22 VAL A 65 15.099 -8.408 -6.774 1.00 0.00 H new ATOM 0 HG23 VAL A 65 13.407 -8.864 -7.082 1.00 0.00 H new ATOM 1043 N VAL A 66 11.888 -4.750 -8.309 1.00 0.00 N ATOM 1044 CA VAL A 66 11.313 -3.693 -9.121 1.00 0.00 C ATOM 1045 C VAL A 66 10.857 -2.529 -8.253 1.00 0.00 C ATOM 1046 O VAL A 66 10.352 -2.723 -7.148 1.00 0.00 O ATOM 1047 CB VAL A 66 10.120 -4.239 -9.905 1.00 0.00 C ATOM 1048 CG1 VAL A 66 10.604 -5.259 -10.936 1.00 0.00 C ATOM 1049 CG2 VAL A 66 9.135 -4.911 -8.946 1.00 0.00 C ATOM 0 H VAL A 66 11.228 -5.223 -7.692 1.00 0.00 H new ATOM 0 HA VAL A 66 12.078 -3.335 -9.810 1.00 0.00 H new ATOM 0 HB VAL A 66 9.622 -3.416 -10.417 1.00 0.00 H new ATOM 0 HG11 VAL A 66 9.751 -5.646 -11.493 1.00 0.00 H new ATOM 0 HG12 VAL A 66 11.299 -4.779 -11.625 1.00 0.00 H new ATOM 0 HG13 VAL A 66 11.108 -6.080 -10.426 1.00 0.00 H new ATOM 0 HG21 VAL A 66 8.286 -5.299 -9.509 1.00 0.00 H new ATOM 0 HG22 VAL A 66 9.633 -5.731 -8.429 1.00 0.00 H new ATOM 0 HG23 VAL A 66 8.783 -4.182 -8.216 1.00 0.00 H new ATOM 1059 N THR A 67 11.033 -1.319 -8.769 1.00 0.00 N ATOM 1060 CA THR A 67 10.631 -0.126 -8.042 1.00 0.00 C ATOM 1061 C THR A 67 9.937 0.855 -8.988 1.00 0.00 C ATOM 1062 O THR A 67 10.267 0.920 -10.172 1.00 0.00 O ATOM 1063 CB THR A 67 11.855 0.535 -7.405 1.00 0.00 C ATOM 1064 OG1 THR A 67 12.831 0.786 -8.407 1.00 0.00 O ATOM 1065 CG2 THR A 67 12.436 -0.400 -6.342 1.00 0.00 C ATOM 0 H THR A 67 11.449 -1.140 -9.683 1.00 0.00 H new ATOM 0 HA THR A 67 9.933 -0.410 -7.255 1.00 0.00 H new ATOM 0 HB THR A 67 11.565 1.478 -6.941 1.00 0.00 H new ATOM 0 HG1 THR A 67 13.615 1.211 -8.001 1.00 0.00 H new ATOM 0 HG21 THR A 67 13.309 0.066 -5.885 1.00 0.00 H new ATOM 0 HG22 THR A 67 11.684 -0.592 -5.576 1.00 0.00 H new ATOM 0 HG23 THR A 67 12.729 -1.341 -6.807 1.00 0.00 H new ATOM 1073 N PRO A 68 8.984 1.606 -8.497 1.00 0.00 N ATOM 1074 CA PRO A 68 8.555 1.558 -7.073 1.00 0.00 C ATOM 1075 C PRO A 68 7.738 0.308 -6.766 1.00 0.00 C ATOM 1076 O PRO A 68 7.171 -0.312 -7.666 1.00 0.00 O ATOM 1077 CB PRO A 68 7.705 2.823 -6.879 1.00 0.00 C ATOM 1078 CG PRO A 68 7.680 3.542 -8.195 1.00 0.00 C ATOM 1079 CD PRO A 68 8.208 2.583 -9.260 1.00 0.00 C ATOM 0 HA PRO A 68 9.412 1.520 -6.400 1.00 0.00 H new ATOM 0 HB2 PRO A 68 6.695 2.564 -6.562 1.00 0.00 H new ATOM 0 HB3 PRO A 68 8.130 3.457 -6.101 1.00 0.00 H new ATOM 0 HG2 PRO A 68 6.666 3.861 -8.437 1.00 0.00 H new ATOM 0 HG3 PRO A 68 8.295 4.441 -8.151 1.00 0.00 H new ATOM 0 HD2 PRO A 68 7.395 2.107 -9.808 1.00 0.00 H new ATOM 0 HD3 PRO A 68 8.827 3.101 -9.993 1.00 0.00 H new ATOM 1087 N ALA A 69 7.691 -0.060 -5.494 1.00 0.00 N ATOM 1088 CA ALA A 69 6.952 -1.244 -5.084 1.00 0.00 C ATOM 1089 C ALA A 69 6.389 -1.057 -3.678 1.00 0.00 C ATOM 1090 O ALA A 69 6.983 -0.370 -2.847 1.00 0.00 O ATOM 1091 CB ALA A 69 7.875 -2.463 -5.100 1.00 0.00 C ATOM 0 H ALA A 69 8.152 0.440 -4.734 1.00 0.00 H new ATOM 0 HA ALA A 69 6.129 -1.398 -5.781 1.00 0.00 H new ATOM 0 HB1 ALA A 69 7.316 -3.347 -4.792 1.00 0.00 H new ATOM 0 HB2 ALA A 69 8.263 -2.612 -6.107 1.00 0.00 H new ATOM 0 HB3 ALA A 69 8.705 -2.300 -4.412 1.00 0.00 H new ATOM 1097 N LEU A 70 5.243 -1.672 -3.422 1.00 0.00 N ATOM 1098 CA LEU A 70 4.603 -1.573 -2.118 1.00 0.00 C ATOM 1099 C LEU A 70 4.351 -2.967 -1.559 1.00 0.00 C ATOM 1100 O LEU A 70 3.872 -3.848 -2.274 1.00 0.00 O ATOM 1101 CB LEU A 70 3.283 -0.816 -2.252 1.00 0.00 C ATOM 1102 CG LEU A 70 2.825 -0.329 -0.881 1.00 0.00 C ATOM 1103 CD1 LEU A 70 1.659 0.647 -1.056 1.00 0.00 C ATOM 1104 CD2 LEU A 70 2.373 -1.523 -0.043 1.00 0.00 C ATOM 0 H LEU A 70 4.738 -2.244 -4.099 1.00 0.00 H new ATOM 0 HA LEU A 70 5.257 -1.032 -1.434 1.00 0.00 H new ATOM 0 HB2 LEU A 70 3.406 0.031 -2.927 1.00 0.00 H new ATOM 0 HB3 LEU A 70 2.524 -1.464 -2.690 1.00 0.00 H new ATOM 0 HG LEU A 70 3.649 0.175 -0.376 1.00 0.00 H new ATOM 0 HD11 LEU A 70 1.328 0.998 -0.078 1.00 0.00 H new ATOM 0 HD12 LEU A 70 1.983 1.497 -1.656 1.00 0.00 H new ATOM 0 HD13 LEU A 70 0.834 0.142 -1.558 1.00 0.00 H new ATOM 0 HD21 LEU A 70 2.045 -1.176 0.937 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.547 -2.027 -0.544 1.00 0.00 H new ATOM 0 HD23 LEU A 70 3.204 -2.219 0.077 1.00 0.00 H new ATOM 1116 N VAL A 71 4.696 -3.181 -0.290 1.00 0.00 N ATOM 1117 CA VAL A 71 4.509 -4.496 0.305 1.00 0.00 C ATOM 1118 C VAL A 71 3.890 -4.428 1.700 1.00 0.00 C ATOM 1119 O VAL A 71 4.387 -3.729 2.584 1.00 0.00 O ATOM 1120 CB VAL A 71 5.861 -5.207 0.386 1.00 0.00 C ATOM 1121 CG1 VAL A 71 5.651 -6.663 0.798 1.00 0.00 C ATOM 1122 CG2 VAL A 71 6.549 -5.149 -0.983 1.00 0.00 C ATOM 0 H VAL A 71 5.097 -2.477 0.330 1.00 0.00 H new ATOM 0 HA VAL A 71 3.816 -5.047 -0.331 1.00 0.00 H new ATOM 0 HB VAL A 71 6.489 -4.713 1.127 1.00 0.00 H new ATOM 0 HG11 VAL A 71 6.615 -7.168 0.855 1.00 0.00 H new ATOM 0 HG12 VAL A 71 5.164 -6.699 1.773 1.00 0.00 H new ATOM 0 HG13 VAL A 71 5.023 -7.163 0.061 1.00 0.00 H new ATOM 0 HG21 VAL A 71 7.513 -5.655 -0.928 1.00 0.00 H new ATOM 0 HG22 VAL A 71 5.922 -5.642 -1.726 1.00 0.00 H new ATOM 0 HG23 VAL A 71 6.702 -4.109 -1.270 1.00 0.00 H new ATOM 1132 N LYS A 72 2.821 -5.199 1.893 1.00 0.00 N ATOM 1133 CA LYS A 72 2.152 -5.269 3.187 1.00 0.00 C ATOM 1134 C LYS A 72 2.750 -6.416 3.992 1.00 0.00 C ATOM 1135 O LYS A 72 2.883 -7.531 3.487 1.00 0.00 O ATOM 1136 CB LYS A 72 0.645 -5.490 2.997 1.00 0.00 C ATOM 1137 CG LYS A 72 -0.064 -5.338 4.345 1.00 0.00 C ATOM 1138 CD LYS A 72 -0.325 -6.722 4.945 1.00 0.00 C ATOM 1139 CE LYS A 72 -1.670 -7.258 4.448 1.00 0.00 C ATOM 1140 NZ LYS A 72 -2.676 -7.168 5.543 1.00 0.00 N ATOM 0 H LYS A 72 2.401 -5.783 1.169 1.00 0.00 H new ATOM 0 HA LYS A 72 2.296 -4.330 3.721 1.00 0.00 H new ATOM 0 HB2 LYS A 72 0.248 -4.770 2.281 1.00 0.00 H new ATOM 0 HB3 LYS A 72 0.461 -6.483 2.586 1.00 0.00 H new ATOM 0 HG2 LYS A 72 0.548 -4.745 5.025 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -1.005 -4.803 4.215 1.00 0.00 H new ATOM 0 HD2 LYS A 72 0.476 -7.407 4.665 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -0.327 -6.662 6.033 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -2.005 -6.684 3.584 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -1.563 -8.293 4.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -3.585 -7.548 5.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -2.348 -7.720 6.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -2.797 -6.174 5.822 1.00 0.00 H new ATOM 1154 N ILE A 73 3.134 -6.144 5.233 1.00 0.00 N ATOM 1155 CA ILE A 73 3.739 -7.183 6.059 1.00 0.00 C ATOM 1156 C ILE A 73 2.737 -7.787 7.037 1.00 0.00 C ATOM 1157 O ILE A 73 2.920 -8.916 7.492 1.00 0.00 O ATOM 1158 CB ILE A 73 4.939 -6.621 6.824 1.00 0.00 C ATOM 1159 CG1 ILE A 73 4.731 -5.126 7.082 1.00 0.00 C ATOM 1160 CG2 ILE A 73 6.211 -6.829 5.998 1.00 0.00 C ATOM 1161 CD1 ILE A 73 5.261 -4.321 5.892 1.00 0.00 C ATOM 0 H ILE A 73 3.041 -5.233 5.683 1.00 0.00 H new ATOM 0 HA ILE A 73 4.073 -7.977 5.391 1.00 0.00 H new ATOM 0 HB ILE A 73 5.037 -7.139 7.778 1.00 0.00 H new ATOM 0 HG12 ILE A 73 3.672 -4.917 7.233 1.00 0.00 H new ATOM 0 HG13 ILE A 73 5.248 -4.829 7.994 1.00 0.00 H new ATOM 0 HG21 ILE A 73 7.067 -6.429 6.541 1.00 0.00 H new ATOM 0 HG22 ILE A 73 6.359 -7.894 5.820 1.00 0.00 H new ATOM 0 HG23 ILE A 73 6.114 -6.312 5.043 1.00 0.00 H new ATOM 0 HD11 ILE A 73 5.112 -3.257 6.077 1.00 0.00 H new ATOM 0 HD12 ILE A 73 6.324 -4.521 5.762 1.00 0.00 H new ATOM 0 HD13 ILE A 73 4.724 -4.611 4.989 1.00 0.00 H new ATOM 1173 N GLY A 74 1.675 -7.054 7.356 1.00 0.00 N ATOM 1174 CA GLY A 74 0.675 -7.586 8.275 1.00 0.00 C ATOM 1175 C GLY A 74 -0.097 -6.480 8.989 1.00 0.00 C ATOM 1176 O GLY A 74 0.119 -5.294 8.738 1.00 0.00 O ATOM 0 H GLY A 74 1.487 -6.116 7.003 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -0.023 -8.217 7.725 1.00 0.00 H new ATOM 0 HA3 GLY A 74 1.164 -8.221 9.014 1.00 0.00 H new ATOM 1180 N PRO A 75 -0.992 -6.858 9.867 1.00 0.00 N ATOM 1181 CA PRO A 75 -1.261 -8.289 10.180 1.00 0.00 C ATOM 1182 C PRO A 75 -1.883 -9.032 9.002 1.00 0.00 C ATOM 1183 O PRO A 75 -2.270 -8.425 8.004 1.00 0.00 O ATOM 1184 CB PRO A 75 -2.219 -8.268 11.377 1.00 0.00 C ATOM 1185 CG PRO A 75 -2.467 -6.833 11.730 1.00 0.00 C ATOM 1186 CD PRO A 75 -1.839 -5.953 10.649 1.00 0.00 C ATOM 0 HA PRO A 75 -0.334 -8.819 10.399 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -3.155 -8.769 11.128 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -1.787 -8.802 12.223 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -3.537 -6.640 11.801 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -2.036 -6.602 12.704 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -2.603 -5.489 10.025 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -1.253 -5.146 11.088 1.00 0.00 H new ATOM 1194 N GLY A 76 -1.960 -10.352 9.124 1.00 0.00 N ATOM 1195 CA GLY A 76 -2.519 -11.179 8.062 1.00 0.00 C ATOM 1196 C GLY A 76 -1.417 -11.673 7.134 1.00 0.00 C ATOM 1197 O GLY A 76 -0.233 -11.583 7.460 1.00 0.00 O ATOM 0 H GLY A 76 -1.644 -10.870 9.944 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -3.046 -12.029 8.495 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -3.251 -10.605 7.494 1.00 0.00 H new ATOM 1201 N SER A 77 -1.809 -12.197 5.979 1.00 0.00 N ATOM 1202 CA SER A 77 -0.836 -12.706 5.019 1.00 0.00 C ATOM 1203 C SER A 77 -0.029 -11.572 4.405 1.00 0.00 C ATOM 1204 O SER A 77 -0.462 -10.419 4.385 1.00 0.00 O ATOM 1205 CB SER A 77 -1.543 -13.483 3.912 1.00 0.00 C ATOM 1206 OG SER A 77 -0.691 -13.562 2.776 1.00 0.00 O ATOM 0 H SER A 77 -2.782 -12.281 5.686 1.00 0.00 H new ATOM 0 HA SER A 77 -0.156 -13.370 5.553 1.00 0.00 H new ATOM 0 HB2 SER A 77 -1.798 -14.484 4.260 1.00 0.00 H new ATOM 0 HB3 SER A 77 -2.478 -12.990 3.646 1.00 0.00 H new ATOM 0 HG SER A 77 -0.941 -12.868 2.131 1.00 0.00 H new ATOM 1212 N ARG A 78 1.148 -11.917 3.898 1.00 0.00 N ATOM 1213 CA ARG A 78 2.024 -10.933 3.272 1.00 0.00 C ATOM 1214 C ARG A 78 1.583 -10.672 1.837 1.00 0.00 C ATOM 1215 O ARG A 78 1.045 -11.558 1.173 1.00 0.00 O ATOM 1216 CB ARG A 78 3.471 -11.434 3.272 1.00 0.00 C ATOM 1217 CG ARG A 78 4.396 -10.304 2.813 1.00 0.00 C ATOM 1218 CD ARG A 78 5.839 -10.809 2.754 1.00 0.00 C ATOM 1219 NE ARG A 78 5.999 -11.752 1.653 1.00 0.00 N ATOM 1220 CZ ARG A 78 6.813 -12.797 1.754 1.00 0.00 C ATOM 1221 NH1 ARG A 78 6.436 -13.855 2.419 1.00 0.00 N ATOM 1222 NH2 ARG A 78 7.990 -12.768 1.190 1.00 0.00 N ATOM 0 H ARG A 78 1.518 -12.868 3.908 1.00 0.00 H new ATOM 0 HA ARG A 78 1.963 -10.007 3.844 1.00 0.00 H new ATOM 0 HB2 ARG A 78 3.753 -11.767 4.271 1.00 0.00 H new ATOM 0 HB3 ARG A 78 3.571 -12.293 2.609 1.00 0.00 H new ATOM 0 HG2 ARG A 78 4.086 -9.944 1.832 1.00 0.00 H new ATOM 0 HG3 ARG A 78 4.324 -9.461 3.500 1.00 0.00 H new ATOM 0 HD2 ARG A 78 6.521 -9.969 2.624 1.00 0.00 H new ATOM 0 HD3 ARG A 78 6.102 -11.291 3.696 1.00 0.00 H new ATOM 0 HE ARG A 78 5.476 -11.606 0.789 1.00 0.00 H new ATOM 0 HH11 ARG A 78 5.517 -13.879 2.861 1.00 0.00 H new ATOM 0 HH12 ARG A 78 7.060 -14.658 2.497 1.00 0.00 H new ATOM 0 HH21 ARG A 78 8.286 -11.942 0.670 1.00 0.00 H new ATOM 0 HH22 ARG A 78 8.613 -13.572 1.269 1.00 0.00 H new ATOM 1236 N GLN A 79 1.813 -9.455 1.363 1.00 0.00 N ATOM 1237 CA GLN A 79 1.436 -9.095 0.003 1.00 0.00 C ATOM 1238 C GLN A 79 2.513 -8.226 -0.634 1.00 0.00 C ATOM 1239 O GLN A 79 3.149 -7.417 0.041 1.00 0.00 O ATOM 1240 CB GLN A 79 0.112 -8.330 0.013 1.00 0.00 C ATOM 1241 CG GLN A 79 -0.939 -9.132 0.785 1.00 0.00 C ATOM 1242 CD GLN A 79 -1.340 -10.369 -0.011 1.00 0.00 C ATOM 1243 OE1 GLN A 79 -1.152 -11.495 0.451 1.00 0.00 O ATOM 1244 NE2 GLN A 79 -1.883 -10.228 -1.188 1.00 0.00 N ATOM 0 H GLN A 79 2.255 -8.706 1.895 1.00 0.00 H new ATOM 0 HA GLN A 79 1.325 -10.011 -0.578 1.00 0.00 H new ATOM 0 HB2 GLN A 79 0.249 -7.352 0.474 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -0.227 -8.156 -1.008 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -0.542 -9.427 1.756 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -1.815 -8.512 0.974 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -2.038 -9.295 -1.570 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -2.153 -11.051 -1.727 1.00 0.00 H new ATOM 1253 N VAL A 80 2.709 -8.392 -1.936 1.00 0.00 N ATOM 1254 CA VAL A 80 3.709 -7.605 -2.647 1.00 0.00 C ATOM 1255 C VAL A 80 3.084 -6.928 -3.861 1.00 0.00 C ATOM 1256 O VAL A 80 2.590 -7.594 -4.770 1.00 0.00 O ATOM 1257 CB VAL A 80 4.860 -8.509 -3.094 1.00 0.00 C ATOM 1258 CG1 VAL A 80 5.880 -7.692 -3.888 1.00 0.00 C ATOM 1259 CG2 VAL A 80 5.542 -9.109 -1.860 1.00 0.00 C ATOM 0 H VAL A 80 2.196 -9.056 -2.516 1.00 0.00 H new ATOM 0 HA VAL A 80 4.094 -6.838 -1.975 1.00 0.00 H new ATOM 0 HB VAL A 80 4.468 -9.308 -3.724 1.00 0.00 H new ATOM 0 HG11 VAL A 80 6.698 -8.339 -4.204 1.00 0.00 H new ATOM 0 HG12 VAL A 80 5.398 -7.262 -4.766 1.00 0.00 H new ATOM 0 HG13 VAL A 80 6.273 -6.892 -3.261 1.00 0.00 H new ATOM 0 HG21 VAL A 80 6.363 -9.754 -2.175 1.00 0.00 H new ATOM 0 HG22 VAL A 80 5.931 -8.307 -1.233 1.00 0.00 H new ATOM 0 HG23 VAL A 80 4.818 -9.694 -1.293 1.00 0.00 H new ATOM 1269 N LEU A 81 3.111 -5.600 -3.869 1.00 0.00 N ATOM 1270 CA LEU A 81 2.547 -4.844 -4.978 1.00 0.00 C ATOM 1271 C LEU A 81 3.637 -4.021 -5.652 1.00 0.00 C ATOM 1272 O LEU A 81 4.347 -3.267 -4.990 1.00 0.00 O ATOM 1273 CB LEU A 81 1.458 -3.911 -4.457 1.00 0.00 C ATOM 1274 CG LEU A 81 0.637 -4.623 -3.379 1.00 0.00 C ATOM 1275 CD1 LEU A 81 -0.389 -3.648 -2.807 1.00 0.00 C ATOM 1276 CD2 LEU A 81 -0.098 -5.822 -3.984 1.00 0.00 C ATOM 0 H LEU A 81 3.514 -5.029 -3.126 1.00 0.00 H new ATOM 0 HA LEU A 81 2.120 -5.538 -5.702 1.00 0.00 H new ATOM 0 HB2 LEU A 81 1.907 -3.006 -4.047 1.00 0.00 H new ATOM 0 HB3 LEU A 81 0.809 -3.602 -5.276 1.00 0.00 H new ATOM 0 HG LEU A 81 1.306 -4.971 -2.592 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -0.978 -4.149 -2.038 1.00 0.00 H new ATOM 0 HD12 LEU A 81 0.126 -2.793 -2.370 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -1.049 -3.306 -3.604 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.679 -6.322 -3.209 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -0.766 -5.479 -4.774 1.00 0.00 H new ATOM 0 HD23 LEU A 81 0.627 -6.521 -4.401 1.00 0.00 H new ATOM 1288 N SER A 82 3.772 -4.157 -6.964 1.00 0.00 N ATOM 1289 CA SER A 82 4.789 -3.400 -7.681 1.00 0.00 C ATOM 1290 C SER A 82 4.448 -3.260 -9.152 1.00 0.00 C ATOM 1291 O SER A 82 3.547 -3.923 -9.666 1.00 0.00 O ATOM 1292 CB SER A 82 6.152 -4.074 -7.549 1.00 0.00 C ATOM 1293 OG SER A 82 7.096 -3.372 -8.346 1.00 0.00 O ATOM 0 H SER A 82 3.202 -4.772 -7.545 1.00 0.00 H new ATOM 0 HA SER A 82 4.823 -2.407 -7.234 1.00 0.00 H new ATOM 0 HB2 SER A 82 6.470 -4.079 -6.506 1.00 0.00 H new ATOM 0 HB3 SER A 82 6.090 -5.114 -7.868 1.00 0.00 H new ATOM 0 HG SER A 82 7.202 -2.461 -8.001 1.00 0.00 H new ATOM 1299 N GLY A 83 5.195 -2.397 -9.821 1.00 0.00 N ATOM 1300 CA GLY A 83 4.994 -2.168 -11.247 1.00 0.00 C ATOM 1301 C GLY A 83 3.993 -1.042 -11.496 1.00 0.00 C ATOM 1302 O GLY A 83 3.002 -1.225 -12.203 1.00 0.00 O ATOM 0 H GLY A 83 5.944 -1.844 -9.404 1.00 0.00 H new ATOM 0 HA2 GLY A 83 5.947 -1.920 -11.715 1.00 0.00 H new ATOM 0 HA3 GLY A 83 4.637 -3.084 -11.717 1.00 0.00 H new ATOM 1306 N ILE A 84 4.266 0.117 -10.909 1.00 0.00 N ATOM 1307 CA ILE A 84 3.397 1.287 -11.055 1.00 0.00 C ATOM 1308 C ILE A 84 1.917 0.920 -10.952 1.00 0.00 C ATOM 1309 O ILE A 84 1.049 1.779 -11.109 1.00 0.00 O ATOM 1310 CB ILE A 84 3.663 1.974 -12.397 1.00 0.00 C ATOM 1311 CG1 ILE A 84 3.169 1.091 -13.550 1.00 0.00 C ATOM 1312 CG2 ILE A 84 5.164 2.211 -12.548 1.00 0.00 C ATOM 1313 CD1 ILE A 84 3.230 1.883 -14.858 1.00 0.00 C ATOM 0 H ILE A 84 5.086 0.276 -10.324 1.00 0.00 H new ATOM 0 HA ILE A 84 3.629 1.968 -10.236 1.00 0.00 H new ATOM 0 HB ILE A 84 3.130 2.925 -12.426 1.00 0.00 H new ATOM 0 HG12 ILE A 84 3.784 0.195 -13.626 1.00 0.00 H new ATOM 0 HG13 ILE A 84 2.148 0.761 -13.359 1.00 0.00 H new ATOM 0 HG21 ILE A 84 5.361 2.700 -13.502 1.00 0.00 H new ATOM 0 HG22 ILE A 84 5.516 2.846 -11.735 1.00 0.00 H new ATOM 0 HG23 ILE A 84 5.688 1.256 -12.515 1.00 0.00 H new ATOM 0 HD11 ILE A 84 2.879 1.257 -15.679 1.00 0.00 H new ATOM 0 HD12 ILE A 84 2.596 2.766 -14.778 1.00 0.00 H new ATOM 0 HD13 ILE A 84 4.258 2.190 -15.050 1.00 0.00 H new ATOM 1325 N ASP A 85 1.632 -0.343 -10.669 1.00 0.00 N ATOM 1326 CA ASP A 85 0.250 -0.785 -10.531 1.00 0.00 C ATOM 1327 C ASP A 85 -0.113 -0.854 -9.055 1.00 0.00 C ATOM 1328 O ASP A 85 -1.166 -1.369 -8.679 1.00 0.00 O ATOM 1329 CB ASP A 85 0.069 -2.163 -11.171 1.00 0.00 C ATOM 1330 CG ASP A 85 0.870 -3.206 -10.397 1.00 0.00 C ATOM 1331 OD1 ASP A 85 1.289 -2.902 -9.293 1.00 0.00 O ATOM 1332 OD2 ASP A 85 1.051 -4.293 -10.921 1.00 0.00 O ATOM 0 H ASP A 85 2.330 -1.074 -10.532 1.00 0.00 H new ATOM 0 HA ASP A 85 -0.404 -0.074 -11.036 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -0.987 -2.434 -11.178 1.00 0.00 H new ATOM 0 HB3 ASP A 85 0.398 -2.137 -12.210 1.00 0.00 H new ATOM 1337 N LEU A 86 0.784 -0.335 -8.226 1.00 0.00 N ATOM 1338 CA LEU A 86 0.589 -0.340 -6.785 1.00 0.00 C ATOM 1339 C LEU A 86 -0.804 0.156 -6.409 1.00 0.00 C ATOM 1340 O LEU A 86 -1.500 -0.477 -5.616 1.00 0.00 O ATOM 1341 CB LEU A 86 1.635 0.561 -6.129 1.00 0.00 C ATOM 1342 CG LEU A 86 3.027 0.208 -6.660 1.00 0.00 C ATOM 1343 CD1 LEU A 86 3.410 1.155 -7.804 1.00 0.00 C ATOM 1344 CD2 LEU A 86 4.046 0.345 -5.530 1.00 0.00 C ATOM 0 H LEU A 86 1.657 0.096 -8.530 1.00 0.00 H new ATOM 0 HA LEU A 86 0.695 -1.366 -6.433 1.00 0.00 H new ATOM 0 HB2 LEU A 86 1.410 1.607 -6.338 1.00 0.00 H new ATOM 0 HB3 LEU A 86 1.607 0.439 -5.046 1.00 0.00 H new ATOM 0 HG LEU A 86 3.019 -0.816 -7.032 1.00 0.00 H new ATOM 0 HD11 LEU A 86 4.402 0.896 -8.175 1.00 0.00 H new ATOM 0 HD12 LEU A 86 2.685 1.061 -8.612 1.00 0.00 H new ATOM 0 HD13 LEU A 86 3.416 2.182 -7.439 1.00 0.00 H new ATOM 0 HD21 LEU A 86 5.039 0.095 -5.903 1.00 0.00 H new ATOM 0 HD22 LEU A 86 4.045 1.371 -5.161 1.00 0.00 H new ATOM 0 HD23 LEU A 86 3.782 -0.333 -4.718 1.00 0.00 H new ATOM 1356 N THR A 87 -1.203 1.294 -6.968 1.00 0.00 N ATOM 1357 CA THR A 87 -2.513 1.856 -6.656 1.00 0.00 C ATOM 1358 C THR A 87 -3.636 0.975 -7.188 1.00 0.00 C ATOM 1359 O THR A 87 -4.658 0.801 -6.524 1.00 0.00 O ATOM 1360 CB THR A 87 -2.644 3.266 -7.242 1.00 0.00 C ATOM 1361 OG1 THR A 87 -2.531 3.201 -8.656 1.00 0.00 O ATOM 1362 CG2 THR A 87 -1.544 4.169 -6.678 1.00 0.00 C ATOM 0 H THR A 87 -0.649 1.838 -7.629 1.00 0.00 H new ATOM 0 HA THR A 87 -2.599 1.906 -5.571 1.00 0.00 H new ATOM 0 HB THR A 87 -3.616 3.680 -6.973 1.00 0.00 H new ATOM 0 HG1 THR A 87 -2.616 4.102 -9.033 1.00 0.00 H new ATOM 0 HG21 THR A 87 -1.643 5.170 -7.099 1.00 0.00 H new ATOM 0 HG22 THR A 87 -1.636 4.221 -5.593 1.00 0.00 H new ATOM 0 HG23 THR A 87 -0.568 3.760 -6.940 1.00 0.00 H new ATOM 1370 N ASP A 88 -3.449 0.413 -8.376 1.00 0.00 N ATOM 1371 CA ASP A 88 -4.469 -0.446 -8.950 1.00 0.00 C ATOM 1372 C ASP A 88 -4.536 -1.748 -8.163 1.00 0.00 C ATOM 1373 O ASP A 88 -5.613 -2.206 -7.782 1.00 0.00 O ATOM 1374 CB ASP A 88 -4.139 -0.740 -10.414 1.00 0.00 C ATOM 1375 CG ASP A 88 -4.247 0.539 -11.238 1.00 0.00 C ATOM 1376 OD1 ASP A 88 -4.773 1.510 -10.719 1.00 0.00 O ATOM 1377 OD2 ASP A 88 -3.804 0.527 -12.374 1.00 0.00 O ATOM 0 H ASP A 88 -2.615 0.535 -8.950 1.00 0.00 H new ATOM 0 HA ASP A 88 -5.435 0.057 -8.900 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -3.132 -1.150 -10.494 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -4.822 -1.494 -10.805 1.00 0.00 H new ATOM 1382 N GLN A 89 -3.369 -2.327 -7.908 1.00 0.00 N ATOM 1383 CA GLN A 89 -3.293 -3.563 -7.147 1.00 0.00 C ATOM 1384 C GLN A 89 -3.683 -3.306 -5.695 1.00 0.00 C ATOM 1385 O GLN A 89 -4.481 -4.043 -5.117 1.00 0.00 O ATOM 1386 CB GLN A 89 -1.870 -4.118 -7.210 1.00 0.00 C ATOM 1387 CG GLN A 89 -1.905 -5.639 -7.052 1.00 0.00 C ATOM 1388 CD GLN A 89 -0.484 -6.188 -7.023 1.00 0.00 C ATOM 1389 OE1 GLN A 89 -0.281 -7.373 -6.762 1.00 0.00 O ATOM 1390 NE2 GLN A 89 0.518 -5.392 -7.281 1.00 0.00 N ATOM 0 H GLN A 89 -2.468 -1.961 -8.216 1.00 0.00 H new ATOM 0 HA GLN A 89 -3.983 -4.290 -7.576 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -1.407 -3.852 -8.160 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -1.261 -3.674 -6.423 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -2.427 -5.906 -6.133 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -2.461 -6.087 -7.876 1.00 0.00 H new ATOM 0 HE21 GLN A 89 0.347 -4.410 -7.497 1.00 0.00 H new ATOM 0 HE22 GLN A 89 1.472 -5.752 -7.267 1.00 0.00 H new ATOM 1399 N LEU A 90 -3.119 -2.248 -5.110 1.00 0.00 N ATOM 1400 CA LEU A 90 -3.424 -1.906 -3.726 1.00 0.00 C ATOM 1401 C LEU A 90 -4.922 -1.705 -3.541 1.00 0.00 C ATOM 1402 O LEU A 90 -5.514 -2.214 -2.589 1.00 0.00 O ATOM 1403 CB LEU A 90 -2.681 -0.629 -3.330 1.00 0.00 C ATOM 1404 CG LEU A 90 -2.995 -0.280 -1.875 1.00 0.00 C ATOM 1405 CD1 LEU A 90 -2.303 -1.278 -0.947 1.00 0.00 C ATOM 1406 CD2 LEU A 90 -2.487 1.130 -1.575 1.00 0.00 C ATOM 0 H LEU A 90 -2.457 -1.622 -5.569 1.00 0.00 H new ATOM 0 HA LEU A 90 -3.100 -2.728 -3.088 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -1.607 -0.767 -3.457 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -2.976 0.192 -3.983 1.00 0.00 H new ATOM 0 HG LEU A 90 -4.072 -0.325 -1.714 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -2.528 -1.027 0.090 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -2.661 -2.285 -1.163 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -1.225 -1.235 -1.105 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -2.709 1.384 -0.538 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -1.410 1.171 -1.736 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -2.980 1.843 -2.236 1.00 0.00 H new ATOM 1418 N ALA A 91 -5.531 -0.963 -4.460 1.00 0.00 N ATOM 1419 CA ALA A 91 -6.964 -0.707 -4.390 1.00 0.00 C ATOM 1420 C ALA A 91 -7.732 -2.023 -4.398 1.00 0.00 C ATOM 1421 O ALA A 91 -8.745 -2.168 -3.715 1.00 0.00 O ATOM 1422 CB ALA A 91 -7.403 0.150 -5.578 1.00 0.00 C ATOM 0 H ALA A 91 -5.059 -0.532 -5.255 1.00 0.00 H new ATOM 0 HA ALA A 91 -7.178 -0.173 -3.464 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -8.475 0.336 -5.516 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -6.869 1.100 -5.559 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -7.178 -0.374 -6.507 1.00 0.00 H new ATOM 1428 N ASN A 92 -7.238 -2.978 -5.179 1.00 0.00 N ATOM 1429 CA ASN A 92 -7.870 -4.285 -5.276 1.00 0.00 C ATOM 1430 C ASN A 92 -7.463 -5.171 -4.106 1.00 0.00 C ATOM 1431 O ASN A 92 -8.263 -5.958 -3.597 1.00 0.00 O ATOM 1432 CB ASN A 92 -7.449 -4.956 -6.580 1.00 0.00 C ATOM 1433 CG ASN A 92 -8.116 -4.264 -7.763 1.00 0.00 C ATOM 1434 OD1 ASN A 92 -7.860 -4.618 -8.914 1.00 0.00 O ATOM 1435 ND2 ASN A 92 -8.963 -3.295 -7.547 1.00 0.00 N ATOM 0 H ASN A 92 -6.402 -2.870 -5.753 1.00 0.00 H new ATOM 0 HA ASN A 92 -8.951 -4.149 -5.254 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -6.365 -4.913 -6.687 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -7.726 -6.010 -6.562 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -9.415 -2.828 -8.333 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -9.173 -3.004 -6.592 1.00 0.00 H new ATOM 1442 N GLN A 93 -6.205 -5.050 -3.702 1.00 0.00 N ATOM 1443 CA GLN A 93 -5.676 -5.854 -2.612 1.00 0.00 C ATOM 1444 C GLN A 93 -6.119 -5.325 -1.252 1.00 0.00 C ATOM 1445 O GLN A 93 -6.350 -6.099 -0.324 1.00 0.00 O ATOM 1446 CB GLN A 93 -4.150 -5.866 -2.683 1.00 0.00 C ATOM 1447 CG GLN A 93 -3.702 -6.625 -3.933 1.00 0.00 C ATOM 1448 CD GLN A 93 -4.137 -8.079 -3.836 1.00 0.00 C ATOM 1449 OE1 GLN A 93 -3.830 -8.758 -2.856 1.00 0.00 O ATOM 1450 NE2 GLN A 93 -4.842 -8.599 -4.800 1.00 0.00 N ATOM 0 H GLN A 93 -5.533 -4.402 -4.114 1.00 0.00 H new ATOM 0 HA GLN A 93 -6.067 -6.866 -2.721 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -3.769 -4.845 -2.709 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -3.738 -6.338 -1.791 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -4.133 -6.166 -4.823 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -2.619 -6.566 -4.037 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -5.094 -8.033 -5.610 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -5.142 -9.572 -4.745 1.00 0.00 H new ATOM 1459 N LEU A 94 -6.220 -4.008 -1.131 1.00 0.00 N ATOM 1460 CA LEU A 94 -6.618 -3.406 0.133 1.00 0.00 C ATOM 1461 C LEU A 94 -7.929 -4.015 0.642 1.00 0.00 C ATOM 1462 O LEU A 94 -7.957 -4.608 1.722 1.00 0.00 O ATOM 1463 CB LEU A 94 -6.730 -1.889 -0.023 1.00 0.00 C ATOM 1464 CG LEU A 94 -7.501 -1.305 1.161 1.00 0.00 C ATOM 1465 CD1 LEU A 94 -6.803 -1.702 2.465 1.00 0.00 C ATOM 1466 CD2 LEU A 94 -7.531 0.222 1.044 1.00 0.00 C ATOM 0 H LEU A 94 -6.034 -3.344 -1.883 1.00 0.00 H new ATOM 0 HA LEU A 94 -5.852 -3.618 0.879 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -5.736 -1.445 -0.077 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -7.239 -1.646 -0.956 1.00 0.00 H new ATOM 0 HG LEU A 94 -8.521 -1.691 1.160 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -7.350 -1.287 3.312 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -6.777 -2.789 2.547 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -5.785 -1.313 2.466 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -8.080 0.641 1.887 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -6.511 0.607 1.048 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -8.023 0.506 0.114 1.00 0.00 H new ATOM 1478 N PRO A 95 -9.003 -3.910 -0.104 1.00 0.00 N ATOM 1479 CA PRO A 95 -10.309 -4.493 0.305 1.00 0.00 C ATOM 1480 C PRO A 95 -10.156 -5.946 0.737 1.00 0.00 C ATOM 1481 O PRO A 95 -10.732 -6.376 1.737 1.00 0.00 O ATOM 1482 CB PRO A 95 -11.182 -4.419 -0.957 1.00 0.00 C ATOM 1483 CG PRO A 95 -10.340 -3.821 -2.043 1.00 0.00 C ATOM 1484 CD PRO A 95 -9.098 -3.221 -1.391 1.00 0.00 C ATOM 0 HA PRO A 95 -10.737 -3.957 1.153 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -11.530 -5.412 -1.243 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -12.068 -3.810 -0.777 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -10.060 -4.581 -2.772 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -10.898 -3.054 -2.581 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -8.209 -3.387 -1.999 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -9.198 -2.143 -1.260 1.00 0.00 H new ATOM 1492 N GLN A 96 -9.371 -6.696 -0.030 1.00 0.00 N ATOM 1493 CA GLN A 96 -9.138 -8.103 0.269 1.00 0.00 C ATOM 1494 C GLN A 96 -8.480 -8.254 1.632 1.00 0.00 C ATOM 1495 O GLN A 96 -8.784 -9.183 2.382 1.00 0.00 O ATOM 1496 CB GLN A 96 -8.239 -8.715 -0.804 1.00 0.00 C ATOM 1497 CG GLN A 96 -8.956 -8.669 -2.154 1.00 0.00 C ATOM 1498 CD GLN A 96 -8.035 -9.188 -3.254 1.00 0.00 C ATOM 1499 OE1 GLN A 96 -6.832 -9.331 -3.039 1.00 0.00 O ATOM 1500 NE2 GLN A 96 -8.530 -9.476 -4.427 1.00 0.00 N ATOM 0 H GLN A 96 -8.887 -6.354 -0.860 1.00 0.00 H new ATOM 0 HA GLN A 96 -10.097 -8.621 0.282 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -7.298 -8.168 -0.861 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -7.994 -9.745 -0.545 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -9.863 -9.272 -2.114 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -9.262 -7.647 -2.377 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -9.528 -9.357 -4.603 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -7.919 -9.820 -5.168 1.00 0.00 H new ATOM 1509 N TRP A 97 -7.581 -7.332 1.950 1.00 0.00 N ATOM 1510 CA TRP A 97 -6.889 -7.370 3.231 1.00 0.00 C ATOM 1511 C TRP A 97 -7.879 -7.132 4.364 1.00 0.00 C ATOM 1512 O TRP A 97 -7.889 -7.856 5.360 1.00 0.00 O ATOM 1513 CB TRP A 97 -5.802 -6.292 3.273 1.00 0.00 C ATOM 1514 CG TRP A 97 -4.828 -6.492 2.153 1.00 0.00 C ATOM 1515 CD1 TRP A 97 -4.733 -7.600 1.378 1.00 0.00 C ATOM 1516 CD2 TRP A 97 -3.810 -5.568 1.670 1.00 0.00 C ATOM 1517 NE1 TRP A 97 -3.716 -7.412 0.456 1.00 0.00 N ATOM 1518 CE2 TRP A 97 -3.120 -6.176 0.594 1.00 0.00 C ATOM 1519 CE3 TRP A 97 -3.423 -4.273 2.059 1.00 0.00 C ATOM 1520 CZ2 TRP A 97 -2.082 -5.522 -0.072 1.00 0.00 C ATOM 1521 CZ3 TRP A 97 -2.379 -3.612 1.391 1.00 0.00 C ATOM 1522 CH2 TRP A 97 -1.711 -4.235 0.328 1.00 0.00 C ATOM 0 H TRP A 97 -7.316 -6.555 1.345 1.00 0.00 H new ATOM 0 HA TRP A 97 -6.429 -8.351 3.351 1.00 0.00 H new ATOM 0 HB2 TRP A 97 -6.257 -5.304 3.197 1.00 0.00 H new ATOM 0 HB3 TRP A 97 -5.280 -6.329 4.229 1.00 0.00 H new ATOM 0 HD1 TRP A 97 -5.348 -8.483 1.465 1.00 0.00 H new ATOM 0 HE1 TRP A 97 -3.441 -8.104 -0.241 1.00 0.00 H new ATOM 0 HE3 TRP A 97 -3.932 -3.784 2.876 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 -1.570 -6.007 -0.890 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 -2.089 -2.618 1.698 1.00 0.00 H new ATOM 0 HH2 TRP A 97 -0.910 -3.721 -0.182 1.00 0.00 H new ATOM 1533 N LEU A 98 -8.720 -6.115 4.198 1.00 0.00 N ATOM 1534 CA LEU A 98 -9.722 -5.790 5.201 1.00 0.00 C ATOM 1535 C LEU A 98 -10.780 -6.882 5.270 1.00 0.00 C ATOM 1536 O LEU A 98 -11.231 -7.262 6.350 1.00 0.00 O ATOM 1537 CB LEU A 98 -10.383 -4.460 4.845 1.00 0.00 C ATOM 1538 CG LEU A 98 -9.331 -3.352 4.839 1.00 0.00 C ATOM 1539 CD1 LEU A 98 -9.965 -2.051 4.347 1.00 0.00 C ATOM 1540 CD2 LEU A 98 -8.797 -3.151 6.258 1.00 0.00 C ATOM 0 H LEU A 98 -8.726 -5.505 3.380 1.00 0.00 H new ATOM 0 HA LEU A 98 -9.235 -5.712 6.173 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -10.859 -4.529 3.867 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -11.167 -4.227 5.566 1.00 0.00 H new ATOM 0 HG LEU A 98 -8.512 -3.632 4.177 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -9.215 -1.260 4.342 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -10.349 -2.193 3.337 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -10.783 -1.771 5.010 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -8.046 -2.361 6.256 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -9.617 -2.870 6.919 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -8.347 -4.078 6.612 1.00 0.00 H new