USER MOD reduce.3.24.130724 H: found=0, std=0, add=739, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 740 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 107 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 110 LYS NZ :NH3+ -115:sc= 0.852 (180deg=-0.237) USER MOD Single : A 16 CYS SG : rot -147:sc= -0.0984 USER MOD Single : A 17 GLN : amide:sc= 0.167 K(o=0.17,f=-0.84) USER MOD Single : A 19 GLN : amide:sc= -0.458 X(o=-0.46,f=-0.7) USER MOD Single : A 20 THR OG1 : rot -71:sc= 1.08 USER MOD Single : A 23 TYR OH : rot 30:sc= -0.803 USER MOD Single : A 27 HIS : no HD1:sc= -1.53 K(o=-1.5,f=-0.62) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot -47:sc= -1.39 USER MOD Single : A 42 CYS SG : rot 69:sc= -1.77 USER MOD Single : A 46 TYR OH : rot 83:sc= 1.49 USER MOD Single : A 49 GLN : amide:sc= -1.85! X(o=-1.9!,f=-1.8) USER MOD Single : A 56 SER OG : rot 180:sc= 0.0131 USER MOD Single : A 59 GLN : amide:sc= -3.12 K(o=-3.1,f=-6.3!) USER MOD Single : A 67 THR OG1 : rot -140:sc= -1.04 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= -0.15 X(o=-0.15,f=-0.23) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 87 GLN : amide:sc= -0.093 X(o=-0.093,f=0) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 101 TYR OH : rot 35:sc= -1.12! USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 104 HIS : no HD1:sc= -2.82 K(o=-2.8,f=-0.79) USER MOD Single : A 106 HIS : no HD1:sc= -5.05 K(o=-5.1,f=-3.5!) USER MOD ----------------------------------------------------------------- ATOM 112 N GLU A 11 -1.020 -13.870 -3.109 1.00 0.00 N ATOM 113 CA GLU A 11 0.338 -13.493 -3.484 1.00 0.00 C ATOM 114 C GLU A 11 0.622 -12.041 -3.112 1.00 0.00 C ATOM 115 O GLU A 11 1.676 -11.724 -2.557 1.00 0.00 O ATOM 116 CB GLU A 11 0.552 -13.699 -4.984 1.00 0.00 C ATOM 117 CG GLU A 11 1.987 -14.034 -5.355 1.00 0.00 C ATOM 118 CD GLU A 11 2.998 -13.241 -4.550 1.00 0.00 C ATOM 119 OE1 GLU A 11 2.953 -11.995 -4.602 1.00 0.00 O ATOM 120 OE2 GLU A 11 3.834 -13.868 -3.867 1.00 0.00 O ATOM 0 HA GLU A 11 1.030 -14.132 -2.935 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -0.100 -14.502 -5.328 1.00 0.00 H new ATOM 0 HB3 GLU A 11 0.251 -12.795 -5.513 1.00 0.00 H new ATOM 0 HG2 GLU A 11 2.159 -15.099 -5.200 1.00 0.00 H new ATOM 0 HG3 GLU A 11 2.139 -13.838 -6.416 1.00 0.00 H new ATOM 127 N LEU A 12 -0.325 -11.161 -3.422 1.00 0.00 N ATOM 128 CA LEU A 12 -0.176 -9.741 -3.121 1.00 0.00 C ATOM 129 C LEU A 12 -0.224 -9.495 -1.617 1.00 0.00 C ATOM 130 O LEU A 12 0.710 -8.939 -1.037 1.00 0.00 O ATOM 131 CB LEU A 12 -1.276 -8.936 -3.817 1.00 0.00 C ATOM 132 CG LEU A 12 -1.370 -7.459 -3.433 1.00 0.00 C ATOM 133 CD1 LEU A 12 -0.318 -6.647 -4.173 1.00 0.00 C ATOM 134 CD2 LEU A 12 -2.764 -6.920 -3.724 1.00 0.00 C ATOM 0 H LEU A 12 -1.203 -11.406 -3.881 1.00 0.00 H new ATOM 0 HA LEU A 12 0.796 -9.415 -3.492 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -1.121 -9.002 -4.894 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.235 -9.408 -3.604 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.183 -7.369 -2.363 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.400 -5.598 -3.887 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.675 -7.017 -3.915 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.473 -6.743 -5.248 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -2.813 -5.868 -3.445 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.979 -7.023 -4.787 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -3.499 -7.483 -3.149 1.00 0.00 H new ATOM 146 N LEU A 13 -1.317 -9.914 -0.989 1.00 0.00 N ATOM 147 CA LEU A 13 -1.486 -9.741 0.451 1.00 0.00 C ATOM 148 C LEU A 13 -0.194 -10.067 1.194 1.00 0.00 C ATOM 149 O LEU A 13 0.428 -9.188 1.791 1.00 0.00 O ATOM 150 CB LEU A 13 -2.620 -10.633 0.961 1.00 0.00 C ATOM 151 CG LEU A 13 -2.874 -10.595 2.468 1.00 0.00 C ATOM 152 CD1 LEU A 13 -3.434 -9.243 2.883 1.00 0.00 C ATOM 153 CD2 LEU A 13 -3.823 -11.714 2.876 1.00 0.00 C ATOM 0 H LEU A 13 -2.099 -10.376 -1.453 1.00 0.00 H new ATOM 0 HA LEU A 13 -1.739 -8.698 0.640 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -3.539 -10.347 0.450 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -2.403 -11.662 0.675 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.924 -10.744 2.981 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.608 -9.236 3.959 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.721 -8.459 2.626 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -4.375 -9.063 2.362 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -3.993 -11.673 3.952 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.772 -11.595 2.354 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.384 -12.677 2.615 1.00 0.00 H new ATOM 165 N ARG A 14 0.204 -11.334 1.150 1.00 0.00 N ATOM 166 CA ARG A 14 1.423 -11.775 1.817 1.00 0.00 C ATOM 167 C ARG A 14 2.559 -10.783 1.587 1.00 0.00 C ATOM 168 O ARG A 14 3.192 -10.318 2.535 1.00 0.00 O ATOM 169 CB ARG A 14 1.832 -13.161 1.316 1.00 0.00 C ATOM 170 CG ARG A 14 1.215 -14.302 2.108 1.00 0.00 C ATOM 171 CD ARG A 14 1.817 -15.642 1.715 1.00 0.00 C ATOM 172 NE ARG A 14 3.200 -15.775 2.169 1.00 0.00 N ATOM 173 CZ ARG A 14 3.540 -15.979 3.437 1.00 0.00 C ATOM 174 NH1 ARG A 14 2.604 -16.073 4.371 1.00 0.00 N ATOM 175 NH2 ARG A 14 4.819 -16.089 3.772 1.00 0.00 N ATOM 0 H ARG A 14 -0.300 -12.073 0.660 1.00 0.00 H new ATOM 0 HA ARG A 14 1.222 -11.828 2.887 1.00 0.00 H new ATOM 0 HB2 ARG A 14 1.544 -13.259 0.269 1.00 0.00 H new ATOM 0 HB3 ARG A 14 2.918 -13.247 1.357 1.00 0.00 H new ATOM 0 HG2 ARG A 14 1.368 -14.131 3.174 1.00 0.00 H new ATOM 0 HG3 ARG A 14 0.138 -14.322 1.940 1.00 0.00 H new ATOM 0 HD2 ARG A 14 1.217 -16.447 2.139 1.00 0.00 H new ATOM 0 HD3 ARG A 14 1.779 -15.753 0.631 1.00 0.00 H new ATOM 0 HE ARG A 14 3.944 -15.708 1.475 1.00 0.00 H new ATOM 0 HH11 ARG A 14 1.620 -15.989 4.117 1.00 0.00 H new ATOM 0 HH12 ARG A 14 2.868 -16.230 5.344 1.00 0.00 H new ATOM 0 HH21 ARG A 14 5.542 -16.017 3.056 1.00 0.00 H new ATOM 0 HH22 ARG A 14 5.080 -16.246 4.746 1.00 0.00 H new ATOM 189 N TRP A 15 2.811 -10.464 0.323 1.00 0.00 N ATOM 190 CA TRP A 15 3.871 -9.527 -0.032 1.00 0.00 C ATOM 191 C TRP A 15 3.698 -8.203 0.704 1.00 0.00 C ATOM 192 O TRP A 15 4.646 -7.680 1.291 1.00 0.00 O ATOM 193 CB TRP A 15 3.883 -9.288 -1.542 1.00 0.00 C ATOM 194 CG TRP A 15 4.937 -8.316 -1.981 1.00 0.00 C ATOM 195 CD1 TRP A 15 6.284 -8.535 -2.032 1.00 0.00 C ATOM 196 CD2 TRP A 15 4.731 -6.972 -2.429 1.00 0.00 C ATOM 197 NE1 TRP A 15 6.928 -7.409 -2.484 1.00 0.00 N ATOM 198 CE2 TRP A 15 5.997 -6.437 -2.736 1.00 0.00 C ATOM 199 CE3 TRP A 15 3.600 -6.170 -2.603 1.00 0.00 C ATOM 200 CZ2 TRP A 15 6.161 -5.135 -3.205 1.00 0.00 C ATOM 201 CZ3 TRP A 15 3.765 -4.879 -3.068 1.00 0.00 C ATOM 202 CH2 TRP A 15 5.036 -4.373 -3.365 1.00 0.00 C ATOM 0 H TRP A 15 2.296 -10.840 -0.473 1.00 0.00 H new ATOM 0 HA TRP A 15 4.823 -9.964 0.267 1.00 0.00 H new ATOM 0 HB2 TRP A 15 4.040 -10.238 -2.052 1.00 0.00 H new ATOM 0 HB3 TRP A 15 2.906 -8.918 -1.852 1.00 0.00 H new ATOM 0 HD1 TRP A 15 6.772 -9.459 -1.757 1.00 0.00 H new ATOM 0 HE1 TRP A 15 7.935 -7.313 -2.611 1.00 0.00 H new ATOM 0 HE3 TRP A 15 2.615 -6.552 -2.378 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 7.140 -4.742 -3.434 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 2.898 -4.249 -3.205 1.00 0.00 H new ATOM 0 HH2 TRP A 15 5.130 -3.360 -3.728 1.00 0.00 H new ATOM 213 N CYS A 16 2.483 -7.668 0.670 1.00 0.00 N ATOM 214 CA CYS A 16 2.185 -6.404 1.334 1.00 0.00 C ATOM 215 C CYS A 16 2.410 -6.515 2.839 1.00 0.00 C ATOM 216 O CYS A 16 2.921 -5.589 3.469 1.00 0.00 O ATOM 217 CB CYS A 16 0.743 -5.981 1.051 1.00 0.00 C ATOM 218 SG CYS A 16 0.499 -5.241 -0.580 1.00 0.00 S ATOM 0 H CYS A 16 1.688 -8.090 0.190 1.00 0.00 H new ATOM 0 HA CYS A 16 2.861 -5.646 0.938 1.00 0.00 H new ATOM 0 HB2 CYS A 16 0.095 -6.853 1.144 1.00 0.00 H new ATOM 0 HB3 CYS A 16 0.429 -5.268 1.813 1.00 0.00 H new ATOM 0 HG CYS A 16 -0.426 -4.330 -0.509 1.00 0.00 H new ATOM 224 N GLN A 17 2.021 -7.652 3.408 1.00 0.00 N ATOM 225 CA GLN A 17 2.178 -7.882 4.839 1.00 0.00 C ATOM 226 C GLN A 17 3.644 -7.782 5.250 1.00 0.00 C ATOM 227 O GLN A 17 3.980 -7.103 6.219 1.00 0.00 O ATOM 228 CB GLN A 17 1.622 -9.254 5.220 1.00 0.00 C ATOM 229 CG GLN A 17 0.103 -9.301 5.278 1.00 0.00 C ATOM 230 CD GLN A 17 -0.426 -10.682 5.608 1.00 0.00 C ATOM 231 OE1 GLN A 17 0.337 -11.642 5.720 1.00 0.00 O ATOM 232 NE2 GLN A 17 -1.740 -10.790 5.770 1.00 0.00 N ATOM 0 H GLN A 17 1.595 -8.427 2.900 1.00 0.00 H new ATOM 0 HA GLN A 17 1.618 -7.111 5.368 1.00 0.00 H new ATOM 0 HB2 GLN A 17 1.973 -9.992 4.498 1.00 0.00 H new ATOM 0 HB3 GLN A 17 2.023 -9.542 6.192 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -0.250 -8.592 6.027 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -0.303 -8.980 4.319 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -2.336 -9.968 5.668 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -2.153 -11.695 5.996 1.00 0.00 H new ATOM 241 N GLU A 18 4.509 -8.463 4.504 1.00 0.00 N ATOM 242 CA GLU A 18 5.938 -8.450 4.793 1.00 0.00 C ATOM 243 C GLU A 18 6.487 -7.027 4.766 1.00 0.00 C ATOM 244 O GLU A 18 7.274 -6.639 5.628 1.00 0.00 O ATOM 245 CB GLU A 18 6.692 -9.319 3.783 1.00 0.00 C ATOM 246 CG GLU A 18 6.293 -10.785 3.822 1.00 0.00 C ATOM 247 CD GLU A 18 7.286 -11.679 3.106 1.00 0.00 C ATOM 248 OE1 GLU A 18 8.008 -11.174 2.221 1.00 0.00 O ATOM 249 OE2 GLU A 18 7.339 -12.884 3.430 1.00 0.00 O ATOM 0 H GLU A 18 4.246 -9.029 3.697 1.00 0.00 H new ATOM 0 HA GLU A 18 6.084 -8.857 5.794 1.00 0.00 H new ATOM 0 HB2 GLU A 18 6.517 -8.930 2.780 1.00 0.00 H new ATOM 0 HB3 GLU A 18 7.762 -9.237 3.974 1.00 0.00 H new ATOM 0 HG2 GLU A 18 6.204 -11.106 4.860 1.00 0.00 H new ATOM 0 HG3 GLU A 18 5.310 -10.902 3.366 1.00 0.00 H new ATOM 256 N GLN A 19 6.065 -6.255 3.770 1.00 0.00 N ATOM 257 CA GLN A 19 6.515 -4.875 3.630 1.00 0.00 C ATOM 258 C GLN A 19 5.947 -4.001 4.743 1.00 0.00 C ATOM 259 O GLN A 19 6.690 -3.429 5.539 1.00 0.00 O ATOM 260 CB GLN A 19 6.102 -4.318 2.267 1.00 0.00 C ATOM 261 CG GLN A 19 6.769 -5.022 1.095 1.00 0.00 C ATOM 262 CD GLN A 19 8.202 -5.417 1.389 1.00 0.00 C ATOM 263 OE1 GLN A 19 9.031 -4.575 1.735 1.00 0.00 O ATOM 264 NE2 GLN A 19 8.501 -6.703 1.255 1.00 0.00 N ATOM 0 H GLN A 19 5.412 -6.561 3.048 1.00 0.00 H new ATOM 0 HA GLN A 19 7.602 -4.865 3.705 1.00 0.00 H new ATOM 0 HB2 GLN A 19 5.020 -4.401 2.162 1.00 0.00 H new ATOM 0 HB3 GLN A 19 6.345 -3.256 2.229 1.00 0.00 H new ATOM 0 HG2 GLN A 19 6.196 -5.913 0.838 1.00 0.00 H new ATOM 0 HG3 GLN A 19 6.748 -4.367 0.224 1.00 0.00 H new ATOM 0 HE21 GLN A 19 7.782 -7.366 0.966 1.00 0.00 H new ATOM 0 HE22 GLN A 19 9.450 -7.028 1.441 1.00 0.00 H new ATOM 273 N THR A 20 4.622 -3.903 4.792 1.00 0.00 N ATOM 274 CA THR A 20 3.952 -3.098 5.807 1.00 0.00 C ATOM 275 C THR A 20 4.286 -3.593 7.209 1.00 0.00 C ATOM 276 O THR A 20 4.228 -2.834 8.176 1.00 0.00 O ATOM 277 CB THR A 20 2.424 -3.115 5.619 1.00 0.00 C ATOM 278 OG1 THR A 20 1.923 -4.445 5.793 1.00 0.00 O ATOM 279 CG2 THR A 20 2.043 -2.601 4.238 1.00 0.00 C ATOM 0 H THR A 20 3.992 -4.371 4.141 1.00 0.00 H new ATOM 0 HA THR A 20 4.313 -2.076 5.690 1.00 0.00 H new ATOM 0 HB THR A 20 1.981 -2.460 6.369 1.00 0.00 H new ATOM 0 HG1 THR A 20 2.194 -4.999 5.032 1.00 0.00 H new ATOM 0 HG21 THR A 20 0.959 -2.622 4.128 1.00 0.00 H new ATOM 0 HG22 THR A 20 2.400 -1.578 4.119 1.00 0.00 H new ATOM 0 HG23 THR A 20 2.497 -3.234 3.476 1.00 0.00 H new ATOM 287 N ALA A 21 4.635 -4.871 7.314 1.00 0.00 N ATOM 288 CA ALA A 21 4.982 -5.466 8.599 1.00 0.00 C ATOM 289 C ALA A 21 5.972 -4.591 9.360 1.00 0.00 C ATOM 290 O ALA A 21 6.082 -4.682 10.582 1.00 0.00 O ATOM 291 CB ALA A 21 5.552 -6.862 8.397 1.00 0.00 C ATOM 0 H ALA A 21 4.685 -5.515 6.524 1.00 0.00 H new ATOM 0 HA ALA A 21 4.072 -5.540 9.195 1.00 0.00 H new ATOM 0 HB1 ALA A 21 5.807 -7.294 9.365 1.00 0.00 H new ATOM 0 HB2 ALA A 21 4.811 -7.490 7.903 1.00 0.00 H new ATOM 0 HB3 ALA A 21 6.448 -6.803 7.779 1.00 0.00 H new ATOM 297 N GLY A 22 6.690 -3.745 8.629 1.00 0.00 N ATOM 298 CA GLY A 22 7.664 -2.867 9.253 1.00 0.00 C ATOM 299 C GLY A 22 7.084 -1.508 9.590 1.00 0.00 C ATOM 300 O GLY A 22 7.637 -0.477 9.205 1.00 0.00 O ATOM 0 H GLY A 22 6.615 -3.651 7.616 1.00 0.00 H new ATOM 0 HA2 GLY A 22 8.040 -3.334 10.163 1.00 0.00 H new ATOM 0 HA3 GLY A 22 8.516 -2.740 8.585 1.00 0.00 H new ATOM 304 N TYR A 23 5.969 -1.504 10.310 1.00 0.00 N ATOM 305 CA TYR A 23 5.312 -0.260 10.696 1.00 0.00 C ATOM 306 C TYR A 23 4.477 -0.453 11.958 1.00 0.00 C ATOM 307 O TYR A 23 3.559 -1.273 12.007 1.00 0.00 O ATOM 308 CB TYR A 23 4.425 0.247 9.558 1.00 0.00 C ATOM 309 CG TYR A 23 4.162 1.735 9.612 1.00 0.00 C ATOM 310 CD1 TYR A 23 3.521 2.308 10.705 1.00 0.00 C ATOM 311 CD2 TYR A 23 4.553 2.568 8.572 1.00 0.00 C ATOM 312 CE1 TYR A 23 3.278 3.667 10.758 1.00 0.00 C ATOM 313 CE2 TYR A 23 4.316 3.928 8.618 1.00 0.00 C ATOM 314 CZ TYR A 23 3.677 4.473 9.712 1.00 0.00 C ATOM 315 OH TYR A 23 3.439 5.827 9.762 1.00 0.00 O ATOM 0 H TYR A 23 5.500 -2.348 10.639 1.00 0.00 H new ATOM 0 HA TYR A 23 6.085 0.480 10.903 1.00 0.00 H new ATOM 0 HB2 TYR A 23 4.896 0.004 8.606 1.00 0.00 H new ATOM 0 HB3 TYR A 23 3.473 -0.283 9.587 1.00 0.00 H new ATOM 0 HD1 TYR A 23 3.208 1.680 11.526 1.00 0.00 H new ATOM 0 HD2 TYR A 23 5.051 2.145 7.712 1.00 0.00 H new ATOM 0 HE1 TYR A 23 2.778 4.096 11.614 1.00 0.00 H new ATOM 0 HE2 TYR A 23 4.630 4.561 7.801 1.00 0.00 H new ATOM 0 HH TYR A 23 3.444 6.126 10.695 1.00 0.00 H new ATOM 325 N PRO A 24 4.803 0.320 13.005 1.00 0.00 N ATOM 326 CA PRO A 24 4.096 0.253 14.288 1.00 0.00 C ATOM 327 C PRO A 24 2.677 0.805 14.196 1.00 0.00 C ATOM 328 O PRO A 24 2.477 2.013 14.073 1.00 0.00 O ATOM 329 CB PRO A 24 4.951 1.127 15.209 1.00 0.00 C ATOM 330 CG PRO A 24 5.647 2.074 14.295 1.00 0.00 C ATOM 331 CD PRO A 24 5.886 1.317 13.017 1.00 0.00 C ATOM 0 HA PRO A 24 3.980 -0.773 14.638 1.00 0.00 H new ATOM 0 HB2 PRO A 24 4.335 1.658 15.935 1.00 0.00 H new ATOM 0 HB3 PRO A 24 5.664 0.527 15.775 1.00 0.00 H new ATOM 0 HG2 PRO A 24 5.039 2.961 14.115 1.00 0.00 H new ATOM 0 HG3 PRO A 24 6.587 2.415 14.728 1.00 0.00 H new ATOM 0 HD2 PRO A 24 5.839 1.972 12.147 1.00 0.00 H new ATOM 0 HD3 PRO A 24 6.868 0.844 13.007 1.00 0.00 H new ATOM 339 N GLY A 25 1.695 -0.088 14.259 1.00 0.00 N ATOM 340 CA GLY A 25 0.306 0.330 14.182 1.00 0.00 C ATOM 341 C GLY A 25 -0.347 -0.068 12.873 1.00 0.00 C ATOM 342 O GLY A 25 -1.463 0.356 12.575 1.00 0.00 O ATOM 0 H GLY A 25 1.835 -1.093 14.362 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -0.249 -0.110 15.010 1.00 0.00 H new ATOM 0 HA3 GLY A 25 0.248 1.412 14.299 1.00 0.00 H new ATOM 346 N VAL A 26 0.351 -0.883 12.089 1.00 0.00 N ATOM 347 CA VAL A 26 -0.167 -1.337 10.804 1.00 0.00 C ATOM 348 C VAL A 26 -0.321 -2.853 10.778 1.00 0.00 C ATOM 349 O VAL A 26 0.656 -3.590 10.911 1.00 0.00 O ATOM 350 CB VAL A 26 0.750 -0.905 9.644 1.00 0.00 C ATOM 351 CG1 VAL A 26 0.233 -1.453 8.322 1.00 0.00 C ATOM 352 CG2 VAL A 26 0.867 0.611 9.594 1.00 0.00 C ATOM 0 H VAL A 26 1.277 -1.243 12.321 1.00 0.00 H new ATOM 0 HA VAL A 26 -1.145 -0.873 10.676 1.00 0.00 H new ATOM 0 HB VAL A 26 1.744 -1.317 9.816 1.00 0.00 H new ATOM 0 HG11 VAL A 26 0.893 -1.138 7.514 1.00 0.00 H new ATOM 0 HG12 VAL A 26 0.207 -2.542 8.365 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -0.772 -1.073 8.139 1.00 0.00 H new ATOM 0 HG21 VAL A 26 1.518 0.899 8.769 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -0.121 1.047 9.446 1.00 0.00 H new ATOM 0 HG23 VAL A 26 1.287 0.975 10.532 1.00 0.00 H new ATOM 362 N HIS A 27 -1.557 -3.314 10.606 1.00 0.00 N ATOM 363 CA HIS A 27 -1.840 -4.745 10.561 1.00 0.00 C ATOM 364 C HIS A 27 -2.723 -5.087 9.366 1.00 0.00 C ATOM 365 O HIS A 27 -3.950 -5.112 9.474 1.00 0.00 O ATOM 366 CB HIS A 27 -2.517 -5.192 11.856 1.00 0.00 C ATOM 367 CG HIS A 27 -3.668 -4.325 12.261 1.00 0.00 C ATOM 368 ND1 HIS A 27 -3.548 -3.283 13.157 1.00 0.00 N ATOM 369 CD2 HIS A 27 -4.969 -4.348 11.886 1.00 0.00 C ATOM 370 CE1 HIS A 27 -4.724 -2.704 13.315 1.00 0.00 C ATOM 371 NE2 HIS A 27 -5.604 -3.331 12.555 1.00 0.00 N ATOM 0 H HIS A 27 -2.377 -2.718 10.496 1.00 0.00 H new ATOM 0 HA HIS A 27 -0.894 -5.275 10.453 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -2.869 -6.217 11.737 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -1.779 -5.200 12.658 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -5.423 -5.038 11.190 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -4.931 -1.861 13.957 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -6.594 -3.098 12.478 1.00 0.00 H new ATOM 380 N VAL A 28 -2.094 -5.348 8.225 1.00 0.00 N ATOM 381 CA VAL A 28 -2.824 -5.689 7.009 1.00 0.00 C ATOM 382 C VAL A 28 -3.366 -7.112 7.075 1.00 0.00 C ATOM 383 O VAL A 28 -2.706 -8.060 6.649 1.00 0.00 O ATOM 384 CB VAL A 28 -1.932 -5.548 5.762 1.00 0.00 C ATOM 385 CG1 VAL A 28 -2.688 -5.977 4.514 1.00 0.00 C ATOM 386 CG2 VAL A 28 -1.427 -4.120 5.626 1.00 0.00 C ATOM 0 H VAL A 28 -1.080 -5.330 8.117 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.657 -4.990 6.932 1.00 0.00 H new ATOM 0 HB VAL A 28 -1.069 -6.204 5.878 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -2.042 -5.871 3.643 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.994 -7.018 4.614 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.571 -5.350 4.390 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -0.798 -4.039 4.739 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -2.275 -3.442 5.533 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -0.845 -3.854 6.509 1.00 0.00 H new ATOM 396 N SER A 29 -4.575 -7.254 7.611 1.00 0.00 N ATOM 397 CA SER A 29 -5.206 -8.563 7.736 1.00 0.00 C ATOM 398 C SER A 29 -5.987 -8.911 6.472 1.00 0.00 C ATOM 399 O SER A 29 -6.085 -10.079 6.092 1.00 0.00 O ATOM 400 CB SER A 29 -6.138 -8.590 8.948 1.00 0.00 C ATOM 401 OG SER A 29 -6.841 -9.818 9.024 1.00 0.00 O ATOM 0 H SER A 29 -5.136 -6.479 7.965 1.00 0.00 H new ATOM 0 HA SER A 29 -4.421 -9.306 7.874 1.00 0.00 H new ATOM 0 HB2 SER A 29 -5.559 -8.442 9.859 1.00 0.00 H new ATOM 0 HB3 SER A 29 -6.847 -7.765 8.884 1.00 0.00 H new ATOM 0 HG SER A 29 -7.429 -9.810 9.808 1.00 0.00 H new ATOM 407 N ASP A 30 -6.540 -7.892 5.826 1.00 0.00 N ATOM 408 CA ASP A 30 -7.313 -8.089 4.605 1.00 0.00 C ATOM 409 C ASP A 30 -7.325 -6.819 3.759 1.00 0.00 C ATOM 410 O ASP A 30 -7.090 -5.721 4.265 1.00 0.00 O ATOM 411 CB ASP A 30 -8.745 -8.505 4.943 1.00 0.00 C ATOM 412 CG ASP A 30 -9.218 -7.930 6.263 1.00 0.00 C ATOM 413 OD1 ASP A 30 -8.978 -6.729 6.508 1.00 0.00 O ATOM 414 OD2 ASP A 30 -9.832 -8.680 7.051 1.00 0.00 O ATOM 0 H ASP A 30 -6.468 -6.920 6.127 1.00 0.00 H new ATOM 0 HA ASP A 30 -6.839 -8.884 4.029 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -9.413 -8.177 4.147 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -8.805 -9.593 4.981 1.00 0.00 H new ATOM 419 N LEU A 31 -7.599 -6.976 2.469 1.00 0.00 N ATOM 420 CA LEU A 31 -7.640 -5.843 1.552 1.00 0.00 C ATOM 421 C LEU A 31 -9.045 -5.252 1.480 1.00 0.00 C ATOM 422 O LEU A 31 -9.476 -4.776 0.429 1.00 0.00 O ATOM 423 CB LEU A 31 -7.183 -6.273 0.157 1.00 0.00 C ATOM 424 CG LEU A 31 -5.683 -6.516 -0.012 1.00 0.00 C ATOM 425 CD1 LEU A 31 -5.315 -7.919 0.445 1.00 0.00 C ATOM 426 CD2 LEU A 31 -5.267 -6.298 -1.460 1.00 0.00 C ATOM 0 H LEU A 31 -7.796 -7.877 2.034 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.962 -5.077 1.929 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -7.711 -7.188 -0.111 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -7.489 -5.508 -0.556 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.146 -5.801 0.611 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.244 -8.074 0.317 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -5.576 -8.039 1.496 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -5.861 -8.651 -0.151 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.196 -6.475 -1.562 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.812 -6.989 -2.103 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.495 -5.273 -1.754 1.00 0.00 H new ATOM 438 N SER A 32 -9.754 -5.286 2.604 1.00 0.00 N ATOM 439 CA SER A 32 -11.111 -4.755 2.667 1.00 0.00 C ATOM 440 C SER A 32 -11.152 -3.463 3.477 1.00 0.00 C ATOM 441 O SER A 32 -11.451 -2.394 2.947 1.00 0.00 O ATOM 442 CB SER A 32 -12.056 -5.788 3.284 1.00 0.00 C ATOM 443 OG SER A 32 -12.078 -6.980 2.519 1.00 0.00 O ATOM 0 H SER A 32 -9.412 -5.675 3.483 1.00 0.00 H new ATOM 0 HA SER A 32 -11.437 -4.536 1.650 1.00 0.00 H new ATOM 0 HB2 SER A 32 -11.740 -6.012 4.303 1.00 0.00 H new ATOM 0 HB3 SER A 32 -13.062 -5.374 3.346 1.00 0.00 H new ATOM 0 HG SER A 32 -12.688 -7.625 2.935 1.00 0.00 H new ATOM 449 N SER A 33 -10.848 -3.571 4.767 1.00 0.00 N ATOM 450 CA SER A 33 -10.853 -2.413 5.653 1.00 0.00 C ATOM 451 C SER A 33 -9.467 -2.176 6.246 1.00 0.00 C ATOM 452 O SER A 33 -9.103 -1.046 6.568 1.00 0.00 O ATOM 453 CB SER A 33 -11.874 -2.608 6.776 1.00 0.00 C ATOM 454 OG SER A 33 -11.411 -3.552 7.727 1.00 0.00 O ATOM 0 H SER A 33 -10.595 -4.449 5.221 1.00 0.00 H new ATOM 0 HA SER A 33 -11.132 -1.538 5.065 1.00 0.00 H new ATOM 0 HB2 SER A 33 -12.065 -1.654 7.268 1.00 0.00 H new ATOM 0 HB3 SER A 33 -12.822 -2.945 6.356 1.00 0.00 H new ATOM 0 HG SER A 33 -12.080 -3.658 8.435 1.00 0.00 H new ATOM 460 N SER A 34 -8.698 -3.252 6.386 1.00 0.00 N ATOM 461 CA SER A 34 -7.354 -3.163 6.944 1.00 0.00 C ATOM 462 C SER A 34 -6.572 -2.023 6.296 1.00 0.00 C ATOM 463 O SER A 34 -5.614 -1.508 6.874 1.00 0.00 O ATOM 464 CB SER A 34 -6.609 -4.484 6.746 1.00 0.00 C ATOM 465 OG SER A 34 -5.690 -4.714 7.799 1.00 0.00 O ATOM 0 H SER A 34 -8.983 -4.195 6.121 1.00 0.00 H new ATOM 0 HA SER A 34 -7.442 -2.960 8.011 1.00 0.00 H new ATOM 0 HB2 SER A 34 -7.324 -5.305 6.698 1.00 0.00 H new ATOM 0 HB3 SER A 34 -6.079 -4.467 5.794 1.00 0.00 H new ATOM 0 HG SER A 34 -5.165 -3.902 7.958 1.00 0.00 H new ATOM 471 N TRP A 35 -6.988 -1.637 5.096 1.00 0.00 N ATOM 472 CA TRP A 35 -6.327 -0.558 4.370 1.00 0.00 C ATOM 473 C TRP A 35 -7.124 0.738 4.476 1.00 0.00 C ATOM 474 O TRP A 35 -6.589 1.825 4.260 1.00 0.00 O ATOM 475 CB TRP A 35 -6.146 -0.941 2.900 1.00 0.00 C ATOM 476 CG TRP A 35 -5.309 -2.169 2.706 1.00 0.00 C ATOM 477 CD1 TRP A 35 -5.658 -3.455 3.005 1.00 0.00 C ATOM 478 CD2 TRP A 35 -3.982 -2.226 2.171 1.00 0.00 C ATOM 479 NE1 TRP A 35 -4.629 -4.308 2.689 1.00 0.00 N ATOM 480 CE2 TRP A 35 -3.589 -3.579 2.173 1.00 0.00 C ATOM 481 CE3 TRP A 35 -3.088 -1.267 1.687 1.00 0.00 C ATOM 482 CZ2 TRP A 35 -2.342 -3.993 1.714 1.00 0.00 C ATOM 483 CZ3 TRP A 35 -1.851 -1.680 1.232 1.00 0.00 C ATOM 484 CH2 TRP A 35 -1.487 -3.033 1.246 1.00 0.00 C ATOM 0 H TRP A 35 -7.779 -2.054 4.605 1.00 0.00 H new ATOM 0 HA TRP A 35 -5.347 -0.398 4.820 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -7.126 -1.103 2.451 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -5.685 -0.108 2.369 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -6.605 -3.757 3.428 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -4.637 -5.320 2.817 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -3.359 -0.222 1.669 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -2.059 -5.035 1.727 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -1.152 -0.947 0.859 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -0.513 -3.323 0.880 1.00 0.00 H new ATOM 495 N ALA A 36 -8.404 0.615 4.808 1.00 0.00 N ATOM 496 CA ALA A 36 -9.274 1.777 4.944 1.00 0.00 C ATOM 497 C ALA A 36 -8.681 2.796 5.910 1.00 0.00 C ATOM 498 O ALA A 36 -8.873 4.001 5.750 1.00 0.00 O ATOM 499 CB ALA A 36 -10.658 1.349 5.411 1.00 0.00 C ATOM 0 H ALA A 36 -8.862 -0.278 4.988 1.00 0.00 H new ATOM 0 HA ALA A 36 -9.362 2.250 3.966 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -11.297 2.227 5.508 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -11.092 0.663 4.683 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -10.578 0.850 6.377 1.00 0.00 H new ATOM 505 N ASP A 37 -7.959 2.305 6.912 1.00 0.00 N ATOM 506 CA ASP A 37 -7.337 3.174 7.904 1.00 0.00 C ATOM 507 C ASP A 37 -6.519 4.272 7.228 1.00 0.00 C ATOM 508 O ASP A 37 -6.706 5.456 7.502 1.00 0.00 O ATOM 509 CB ASP A 37 -6.444 2.358 8.839 1.00 0.00 C ATOM 510 CG ASP A 37 -5.415 1.536 8.087 1.00 0.00 C ATOM 511 OD1 ASP A 37 -5.714 1.106 6.954 1.00 0.00 O ATOM 512 OD2 ASP A 37 -4.312 1.324 8.632 1.00 0.00 O ATOM 0 H ASP A 37 -7.790 1.310 7.058 1.00 0.00 H new ATOM 0 HA ASP A 37 -8.129 3.643 8.488 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -5.934 3.031 9.528 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -7.064 1.695 9.442 1.00 0.00 H new ATOM 517 N GLY A 38 -5.613 3.868 6.344 1.00 0.00 N ATOM 518 CA GLY A 38 -4.780 4.828 5.645 1.00 0.00 C ATOM 519 C GLY A 38 -3.301 4.530 5.793 1.00 0.00 C ATOM 520 O GLY A 38 -2.544 4.605 4.824 1.00 0.00 O ATOM 0 H GLY A 38 -5.441 2.893 6.099 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -5.043 4.830 4.587 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -4.986 5.828 6.026 1.00 0.00 H new ATOM 524 N LEU A 39 -2.885 4.193 7.009 1.00 0.00 N ATOM 525 CA LEU A 39 -1.486 3.883 7.281 1.00 0.00 C ATOM 526 C LEU A 39 -0.984 2.777 6.359 1.00 0.00 C ATOM 527 O LEU A 39 0.096 2.884 5.778 1.00 0.00 O ATOM 528 CB LEU A 39 -1.312 3.464 8.743 1.00 0.00 C ATOM 529 CG LEU A 39 -1.012 4.590 9.732 1.00 0.00 C ATOM 530 CD1 LEU A 39 -1.124 4.086 11.163 1.00 0.00 C ATOM 531 CD2 LEU A 39 0.370 5.171 9.477 1.00 0.00 C ATOM 0 H LEU A 39 -3.497 4.128 7.822 1.00 0.00 H new ATOM 0 HA LEU A 39 -0.897 4.781 7.094 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.221 2.957 9.065 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.504 2.735 8.797 1.00 0.00 H new ATOM 0 HG LEU A 39 -1.748 5.381 9.587 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.907 4.901 11.854 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.135 3.718 11.341 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.411 3.277 11.321 1.00 0.00 H new ATOM 0 HD21 LEU A 39 0.566 5.971 10.191 1.00 0.00 H new ATOM 0 HD22 LEU A 39 1.121 4.389 9.594 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.416 5.570 8.464 1.00 0.00 H new ATOM 543 N ALA A 40 -1.775 1.717 6.229 1.00 0.00 N ATOM 544 CA ALA A 40 -1.411 0.594 5.374 1.00 0.00 C ATOM 545 C ALA A 40 -0.651 1.066 4.140 1.00 0.00 C ATOM 546 O ALA A 40 0.528 0.756 3.967 1.00 0.00 O ATOM 547 CB ALA A 40 -2.655 -0.182 4.967 1.00 0.00 C ATOM 0 H ALA A 40 -2.671 1.613 6.705 1.00 0.00 H new ATOM 0 HA ALA A 40 -0.754 -0.065 5.941 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -2.370 -1.018 4.329 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -3.156 -0.560 5.858 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -3.332 0.476 4.422 1.00 0.00 H new ATOM 553 N LEU A 41 -1.334 1.819 3.284 1.00 0.00 N ATOM 554 CA LEU A 41 -0.723 2.334 2.063 1.00 0.00 C ATOM 555 C LEU A 41 0.562 3.094 2.376 1.00 0.00 C ATOM 556 O LEU A 41 1.553 2.981 1.653 1.00 0.00 O ATOM 557 CB LEU A 41 -1.703 3.249 1.327 1.00 0.00 C ATOM 558 CG LEU A 41 -2.615 2.571 0.302 1.00 0.00 C ATOM 559 CD1 LEU A 41 -3.639 3.558 -0.236 1.00 0.00 C ATOM 560 CD2 LEU A 41 -1.793 1.979 -0.833 1.00 0.00 C ATOM 0 H LEU A 41 -2.310 2.086 3.413 1.00 0.00 H new ATOM 0 HA LEU A 41 -0.476 1.486 1.424 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -2.329 3.747 2.067 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.132 4.025 0.818 1.00 0.00 H new ATOM 0 HG LEU A 41 -3.149 1.760 0.798 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -4.279 3.058 -0.963 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -4.249 3.934 0.586 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -3.125 4.390 -0.716 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -2.458 1.501 -1.553 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -1.232 2.772 -1.328 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -1.099 1.240 -0.433 1.00 0.00 H new ATOM 572 N CYS A 42 0.539 3.865 3.457 1.00 0.00 N ATOM 573 CA CYS A 42 1.704 4.642 3.866 1.00 0.00 C ATOM 574 C CYS A 42 2.912 3.737 4.085 1.00 0.00 C ATOM 575 O CYS A 42 3.960 3.927 3.470 1.00 0.00 O ATOM 576 CB CYS A 42 1.397 5.422 5.146 1.00 0.00 C ATOM 577 SG CYS A 42 -0.160 6.341 5.096 1.00 0.00 S ATOM 0 H CYS A 42 -0.273 3.969 4.066 1.00 0.00 H new ATOM 0 HA CYS A 42 1.940 5.345 3.067 1.00 0.00 H new ATOM 0 HB2 CYS A 42 1.369 4.726 5.985 1.00 0.00 H new ATOM 0 HB3 CYS A 42 2.212 6.120 5.338 1.00 0.00 H new ATOM 0 HG CYS A 42 -1.157 5.507 5.102 1.00 0.00 H new ATOM 583 N ALA A 43 2.757 2.755 4.966 1.00 0.00 N ATOM 584 CA ALA A 43 3.834 1.820 5.266 1.00 0.00 C ATOM 585 C ALA A 43 4.411 1.219 3.989 1.00 0.00 C ATOM 586 O ALA A 43 5.624 1.234 3.776 1.00 0.00 O ATOM 587 CB ALA A 43 3.338 0.720 6.191 1.00 0.00 C ATOM 0 H ALA A 43 1.895 2.586 5.485 1.00 0.00 H new ATOM 0 HA ALA A 43 4.629 2.371 5.769 1.00 0.00 H new ATOM 0 HB1 ALA A 43 4.154 0.030 6.406 1.00 0.00 H new ATOM 0 HB2 ALA A 43 2.981 1.161 7.122 1.00 0.00 H new ATOM 0 HB3 ALA A 43 2.523 0.180 5.710 1.00 0.00 H new ATOM 593 N LEU A 44 3.535 0.691 3.141 1.00 0.00 N ATOM 594 CA LEU A 44 3.958 0.084 1.884 1.00 0.00 C ATOM 595 C LEU A 44 4.811 1.052 1.071 1.00 0.00 C ATOM 596 O LEU A 44 5.826 0.664 0.490 1.00 0.00 O ATOM 597 CB LEU A 44 2.738 -0.346 1.067 1.00 0.00 C ATOM 598 CG LEU A 44 3.008 -0.743 -0.384 1.00 0.00 C ATOM 599 CD1 LEU A 44 3.750 -2.069 -0.446 1.00 0.00 C ATOM 600 CD2 LEU A 44 1.704 -0.823 -1.166 1.00 0.00 C ATOM 0 H LEU A 44 2.528 0.671 3.301 1.00 0.00 H new ATOM 0 HA LEU A 44 4.560 -0.794 2.118 1.00 0.00 H new ATOM 0 HB2 LEU A 44 2.267 -1.189 1.572 1.00 0.00 H new ATOM 0 HB3 LEU A 44 2.017 0.471 1.071 1.00 0.00 H new ATOM 0 HG LEU A 44 3.636 0.023 -0.839 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.933 -2.335 -1.487 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.701 -1.978 0.078 1.00 0.00 H new ATOM 0 HD13 LEU A 44 3.148 -2.845 0.026 1.00 0.00 H new ATOM 0 HD21 LEU A 44 1.915 -1.107 -2.197 1.00 0.00 H new ATOM 0 HD22 LEU A 44 1.052 -1.568 -0.711 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.210 0.149 -1.151 1.00 0.00 H new ATOM 612 N VAL A 45 4.396 2.314 1.038 1.00 0.00 N ATOM 613 CA VAL A 45 5.126 3.339 0.300 1.00 0.00 C ATOM 614 C VAL A 45 6.461 3.650 0.966 1.00 0.00 C ATOM 615 O VAL A 45 7.521 3.483 0.362 1.00 0.00 O ATOM 616 CB VAL A 45 4.306 4.638 0.186 1.00 0.00 C ATOM 617 CG1 VAL A 45 5.107 5.715 -0.530 1.00 0.00 C ATOM 618 CG2 VAL A 45 2.990 4.377 -0.530 1.00 0.00 C ATOM 0 H VAL A 45 3.559 2.652 1.513 1.00 0.00 H new ATOM 0 HA VAL A 45 5.306 2.943 -0.699 1.00 0.00 H new ATOM 0 HB VAL A 45 4.082 4.994 1.192 1.00 0.00 H new ATOM 0 HG11 VAL A 45 4.511 6.625 -0.601 1.00 0.00 H new ATOM 0 HG12 VAL A 45 6.020 5.922 0.029 1.00 0.00 H new ATOM 0 HG13 VAL A 45 5.365 5.371 -1.532 1.00 0.00 H new ATOM 0 HG21 VAL A 45 2.424 5.306 -0.601 1.00 0.00 H new ATOM 0 HG22 VAL A 45 3.190 3.996 -1.532 1.00 0.00 H new ATOM 0 HG23 VAL A 45 2.411 3.642 0.029 1.00 0.00 H new ATOM 628 N TYR A 46 6.403 4.104 2.212 1.00 0.00 N ATOM 629 CA TYR A 46 7.608 4.441 2.961 1.00 0.00 C ATOM 630 C TYR A 46 8.640 3.320 2.865 1.00 0.00 C ATOM 631 O TYR A 46 9.817 3.566 2.600 1.00 0.00 O ATOM 632 CB TYR A 46 7.265 4.710 4.427 1.00 0.00 C ATOM 633 CG TYR A 46 6.597 6.046 4.657 1.00 0.00 C ATOM 634 CD1 TYR A 46 7.258 7.234 4.369 1.00 0.00 C ATOM 635 CD2 TYR A 46 5.306 6.121 5.163 1.00 0.00 C ATOM 636 CE1 TYR A 46 6.652 8.457 4.579 1.00 0.00 C ATOM 637 CE2 TYR A 46 4.691 7.341 5.374 1.00 0.00 C ATOM 638 CZ TYR A 46 5.368 8.506 5.080 1.00 0.00 C ATOM 639 OH TYR A 46 4.759 9.722 5.291 1.00 0.00 O ATOM 0 H TYR A 46 5.534 4.248 2.726 1.00 0.00 H new ATOM 0 HA TYR A 46 8.036 5.343 2.524 1.00 0.00 H new ATOM 0 HB2 TYR A 46 6.609 3.918 4.789 1.00 0.00 H new ATOM 0 HB3 TYR A 46 8.179 4.663 5.020 1.00 0.00 H new ATOM 0 HD1 TYR A 46 8.263 7.200 3.974 1.00 0.00 H new ATOM 0 HD2 TYR A 46 4.773 5.211 5.396 1.00 0.00 H new ATOM 0 HE1 TYR A 46 7.181 9.371 4.352 1.00 0.00 H new ATOM 0 HE2 TYR A 46 3.686 7.382 5.767 1.00 0.00 H new ATOM 0 HH TYR A 46 4.375 10.046 4.450 1.00 0.00 H new ATOM 649 N ARG A 47 8.188 2.089 3.082 1.00 0.00 N ATOM 650 CA ARG A 47 9.071 0.930 3.021 1.00 0.00 C ATOM 651 C ARG A 47 9.725 0.816 1.647 1.00 0.00 C ATOM 652 O ARG A 47 10.948 0.875 1.524 1.00 0.00 O ATOM 653 CB ARG A 47 8.289 -0.348 3.334 1.00 0.00 C ATOM 654 CG ARG A 47 8.194 -0.656 4.819 1.00 0.00 C ATOM 655 CD ARG A 47 9.502 -1.215 5.358 1.00 0.00 C ATOM 656 NE ARG A 47 10.395 -0.160 5.832 1.00 0.00 N ATOM 657 CZ ARG A 47 11.501 -0.391 6.528 1.00 0.00 C ATOM 658 NH1 ARG A 47 11.851 -1.634 6.830 1.00 0.00 N ATOM 659 NH2 ARG A 47 12.262 0.621 6.924 1.00 0.00 N ATOM 0 H ARG A 47 7.217 1.869 3.301 1.00 0.00 H new ATOM 0 HA ARG A 47 9.855 1.061 3.767 1.00 0.00 H new ATOM 0 HB2 ARG A 47 7.283 -0.257 2.925 1.00 0.00 H new ATOM 0 HB3 ARG A 47 8.764 -1.188 2.827 1.00 0.00 H new ATOM 0 HG2 ARG A 47 7.933 0.251 5.364 1.00 0.00 H new ATOM 0 HG3 ARG A 47 7.392 -1.373 4.992 1.00 0.00 H new ATOM 0 HD2 ARG A 47 9.292 -1.906 6.175 1.00 0.00 H new ATOM 0 HD3 ARG A 47 10.001 -1.788 4.576 1.00 0.00 H new ATOM 0 HE ARG A 47 10.155 0.808 5.616 1.00 0.00 H new ATOM 0 HH11 ARG A 47 11.270 -2.415 6.527 1.00 0.00 H new ATOM 0 HH12 ARG A 47 12.702 -1.809 7.365 1.00 0.00 H new ATOM 0 HH21 ARG A 47 11.997 1.579 6.694 1.00 0.00 H new ATOM 0 HH22 ARG A 47 13.112 0.441 7.459 1.00 0.00 H new ATOM 673 N LEU A 48 8.901 0.653 0.617 1.00 0.00 N ATOM 674 CA LEU A 48 9.399 0.529 -0.748 1.00 0.00 C ATOM 675 C LEU A 48 10.581 1.465 -0.983 1.00 0.00 C ATOM 676 O LEU A 48 11.561 1.091 -1.626 1.00 0.00 O ATOM 677 CB LEU A 48 8.283 0.838 -1.749 1.00 0.00 C ATOM 678 CG LEU A 48 7.365 -0.328 -2.111 1.00 0.00 C ATOM 679 CD1 LEU A 48 6.111 0.176 -2.810 1.00 0.00 C ATOM 680 CD2 LEU A 48 8.099 -1.333 -2.987 1.00 0.00 C ATOM 0 H LEU A 48 7.886 0.604 0.702 1.00 0.00 H new ATOM 0 HA LEU A 48 9.736 -0.497 -0.894 1.00 0.00 H new ATOM 0 HB2 LEU A 48 7.671 1.644 -1.343 1.00 0.00 H new ATOM 0 HB3 LEU A 48 8.738 1.214 -2.665 1.00 0.00 H new ATOM 0 HG LEU A 48 7.066 -0.829 -1.190 1.00 0.00 H new ATOM 0 HD11 LEU A 48 5.469 -0.669 -3.060 1.00 0.00 H new ATOM 0 HD12 LEU A 48 5.574 0.856 -2.149 1.00 0.00 H new ATOM 0 HD13 LEU A 48 6.390 0.702 -3.723 1.00 0.00 H new ATOM 0 HD21 LEU A 48 7.430 -2.157 -3.235 1.00 0.00 H new ATOM 0 HD22 LEU A 48 8.428 -0.844 -3.904 1.00 0.00 H new ATOM 0 HD23 LEU A 48 8.966 -1.719 -2.450 1.00 0.00 H new ATOM 692 N GLN A 49 10.481 2.680 -0.456 1.00 0.00 N ATOM 693 CA GLN A 49 11.543 3.669 -0.607 1.00 0.00 C ATOM 694 C GLN A 49 11.926 4.268 0.743 1.00 0.00 C ATOM 695 O GLN A 49 11.274 5.181 1.250 1.00 0.00 O ATOM 696 CB GLN A 49 11.105 4.777 -1.565 1.00 0.00 C ATOM 697 CG GLN A 49 12.255 5.400 -2.342 1.00 0.00 C ATOM 698 CD GLN A 49 11.794 6.484 -3.295 1.00 0.00 C ATOM 699 OE1 GLN A 49 11.118 6.209 -4.286 1.00 0.00 O ATOM 700 NE2 GLN A 49 12.160 7.726 -3.001 1.00 0.00 N ATOM 0 H GLN A 49 9.676 3.004 0.080 1.00 0.00 H new ATOM 0 HA GLN A 49 12.417 3.166 -1.021 1.00 0.00 H new ATOM 0 HB2 GLN A 49 10.379 4.371 -2.270 1.00 0.00 H new ATOM 0 HB3 GLN A 49 10.596 5.556 -0.998 1.00 0.00 H new ATOM 0 HG2 GLN A 49 12.977 5.820 -1.641 1.00 0.00 H new ATOM 0 HG3 GLN A 49 12.772 4.623 -2.904 1.00 0.00 H new ATOM 0 HE21 GLN A 49 12.721 7.909 -2.169 1.00 0.00 H new ATOM 0 HE22 GLN A 49 11.880 8.497 -3.607 1.00 0.00 H new ATOM 709 N PRO A 50 13.006 3.743 1.339 1.00 0.00 N ATOM 710 CA PRO A 50 13.499 4.211 2.638 1.00 0.00 C ATOM 711 C PRO A 50 14.101 5.611 2.559 1.00 0.00 C ATOM 712 O PRO A 50 14.330 6.257 3.581 1.00 0.00 O ATOM 713 CB PRO A 50 14.576 3.186 2.999 1.00 0.00 C ATOM 714 CG PRO A 50 15.036 2.641 1.691 1.00 0.00 C ATOM 715 CD PRO A 50 13.829 2.652 0.792 1.00 0.00 C ATOM 0 HA PRO A 50 12.699 4.286 3.375 1.00 0.00 H new ATOM 0 HB2 PRO A 50 15.397 3.651 3.545 1.00 0.00 H new ATOM 0 HB3 PRO A 50 14.175 2.398 3.637 1.00 0.00 H new ATOM 0 HG2 PRO A 50 15.839 3.250 1.275 1.00 0.00 H new ATOM 0 HG3 PRO A 50 15.429 1.631 1.805 1.00 0.00 H new ATOM 0 HD2 PRO A 50 14.103 2.837 -0.247 1.00 0.00 H new ATOM 0 HD3 PRO A 50 13.301 1.699 0.817 1.00 0.00 H new ATOM 723 N GLY A 51 14.355 6.073 1.338 1.00 0.00 N ATOM 724 CA GLY A 51 14.927 7.393 1.149 1.00 0.00 C ATOM 725 C GLY A 51 13.921 8.501 1.391 1.00 0.00 C ATOM 726 O GLY A 51 14.255 9.536 1.971 1.00 0.00 O ATOM 0 H GLY A 51 14.175 5.557 0.477 1.00 0.00 H new ATOM 0 HA2 GLY A 51 15.772 7.520 1.826 1.00 0.00 H new ATOM 0 HA3 GLY A 51 15.316 7.475 0.134 1.00 0.00 H new ATOM 730 N LEU A 52 12.689 8.287 0.945 1.00 0.00 N ATOM 731 CA LEU A 52 11.631 9.277 1.115 1.00 0.00 C ATOM 732 C LEU A 52 11.446 9.630 2.588 1.00 0.00 C ATOM 733 O LEU A 52 11.782 8.841 3.472 1.00 0.00 O ATOM 734 CB LEU A 52 10.316 8.752 0.535 1.00 0.00 C ATOM 735 CG LEU A 52 10.112 8.965 -0.964 1.00 0.00 C ATOM 736 CD1 LEU A 52 9.268 7.844 -1.552 1.00 0.00 C ATOM 737 CD2 LEU A 52 9.465 10.316 -1.229 1.00 0.00 C ATOM 0 H LEU A 52 12.397 7.437 0.463 1.00 0.00 H new ATOM 0 HA LEU A 52 11.923 10.180 0.578 1.00 0.00 H new ATOM 0 HB2 LEU A 52 10.252 7.684 0.742 1.00 0.00 H new ATOM 0 HB3 LEU A 52 9.492 9.230 1.065 1.00 0.00 H new ATOM 0 HG LEU A 52 11.088 8.951 -1.449 1.00 0.00 H new ATOM 0 HD11 LEU A 52 9.133 8.012 -2.620 1.00 0.00 H new ATOM 0 HD12 LEU A 52 9.771 6.890 -1.396 1.00 0.00 H new ATOM 0 HD13 LEU A 52 8.295 7.826 -1.062 1.00 0.00 H new ATOM 0 HD21 LEU A 52 9.328 10.450 -2.302 1.00 0.00 H new ATOM 0 HD22 LEU A 52 8.496 10.359 -0.731 1.00 0.00 H new ATOM 0 HD23 LEU A 52 10.107 11.109 -0.844 1.00 0.00 H new ATOM 749 N LEU A 53 10.909 10.817 2.844 1.00 0.00 N ATOM 750 CA LEU A 53 10.677 11.274 4.209 1.00 0.00 C ATOM 751 C LEU A 53 9.971 10.199 5.030 1.00 0.00 C ATOM 752 O LEU A 53 9.645 9.129 4.519 1.00 0.00 O ATOM 753 CB LEU A 53 9.844 12.557 4.205 1.00 0.00 C ATOM 754 CG LEU A 53 8.363 12.395 3.858 1.00 0.00 C ATOM 755 CD1 LEU A 53 8.183 11.351 2.766 1.00 0.00 C ATOM 756 CD2 LEU A 53 7.564 12.019 5.096 1.00 0.00 C ATOM 0 H LEU A 53 10.626 11.481 2.124 1.00 0.00 H new ATOM 0 HA LEU A 53 11.645 11.479 4.666 1.00 0.00 H new ATOM 0 HB2 LEU A 53 9.917 13.017 5.190 1.00 0.00 H new ATOM 0 HB3 LEU A 53 10.289 13.253 3.494 1.00 0.00 H new ATOM 0 HG LEU A 53 7.989 13.349 3.486 1.00 0.00 H new ATOM 0 HD11 LEU A 53 7.123 11.249 2.532 1.00 0.00 H new ATOM 0 HD12 LEU A 53 8.724 11.662 1.872 1.00 0.00 H new ATOM 0 HD13 LEU A 53 8.573 10.393 3.111 1.00 0.00 H new ATOM 0 HD21 LEU A 53 6.513 11.908 4.831 1.00 0.00 H new ATOM 0 HD22 LEU A 53 7.938 11.078 5.498 1.00 0.00 H new ATOM 0 HD23 LEU A 53 7.668 12.802 5.848 1.00 0.00 H new ATOM 768 N GLU A 54 9.738 10.493 6.305 1.00 0.00 N ATOM 769 CA GLU A 54 9.069 9.552 7.196 1.00 0.00 C ATOM 770 C GLU A 54 7.696 10.074 7.607 1.00 0.00 C ATOM 771 O GLU A 54 7.427 11.275 7.582 1.00 0.00 O ATOM 772 CB GLU A 54 9.924 9.298 8.440 1.00 0.00 C ATOM 773 CG GLU A 54 11.124 8.402 8.181 1.00 0.00 C ATOM 774 CD GLU A 54 12.340 9.177 7.712 1.00 0.00 C ATOM 775 OE1 GLU A 54 13.065 9.721 8.572 1.00 0.00 O ATOM 776 OE2 GLU A 54 12.567 9.241 6.486 1.00 0.00 O ATOM 0 H GLU A 54 10.002 11.375 6.744 1.00 0.00 H new ATOM 0 HA GLU A 54 8.935 8.614 6.658 1.00 0.00 H new ATOM 0 HB2 GLU A 54 10.272 10.253 8.832 1.00 0.00 H new ATOM 0 HB3 GLU A 54 9.302 8.844 9.212 1.00 0.00 H new ATOM 0 HG2 GLU A 54 11.373 7.861 9.094 1.00 0.00 H new ATOM 0 HG3 GLU A 54 10.861 7.657 7.430 1.00 0.00 H new ATOM 783 N PRO A 55 6.804 9.150 7.995 1.00 0.00 N ATOM 784 CA PRO A 55 5.443 9.492 8.419 1.00 0.00 C ATOM 785 C PRO A 55 5.419 10.219 9.758 1.00 0.00 C ATOM 786 O PRO A 55 4.354 10.450 10.332 1.00 0.00 O ATOM 787 CB PRO A 55 4.756 8.130 8.537 1.00 0.00 C ATOM 788 CG PRO A 55 5.864 7.167 8.795 1.00 0.00 C ATOM 789 CD PRO A 55 7.057 7.699 8.050 1.00 0.00 C ATOM 0 HA PRO A 55 4.956 10.171 7.719 1.00 0.00 H new ATOM 0 HB2 PRO A 55 4.028 8.123 9.349 1.00 0.00 H new ATOM 0 HB3 PRO A 55 4.217 7.878 7.624 1.00 0.00 H new ATOM 0 HG2 PRO A 55 6.073 7.089 9.862 1.00 0.00 H new ATOM 0 HG3 PRO A 55 5.601 6.168 8.448 1.00 0.00 H new ATOM 0 HD2 PRO A 55 7.989 7.473 8.569 1.00 0.00 H new ATOM 0 HD3 PRO A 55 7.134 7.266 7.053 1.00 0.00 H new ATOM 797 N SER A 56 6.600 10.578 10.253 1.00 0.00 N ATOM 798 CA SER A 56 6.713 11.278 11.528 1.00 0.00 C ATOM 799 C SER A 56 5.502 12.176 11.765 1.00 0.00 C ATOM 800 O SER A 56 5.034 12.317 12.894 1.00 0.00 O ATOM 801 CB SER A 56 7.995 12.112 11.564 1.00 0.00 C ATOM 802 OG SER A 56 9.112 11.348 11.143 1.00 0.00 O ATOM 0 H SER A 56 7.491 10.396 9.791 1.00 0.00 H new ATOM 0 HA SER A 56 6.751 10.532 12.322 1.00 0.00 H new ATOM 0 HB2 SER A 56 7.883 12.984 10.920 1.00 0.00 H new ATOM 0 HB3 SER A 56 8.164 12.482 12.575 1.00 0.00 H new ATOM 0 HG SER A 56 9.919 11.904 11.173 1.00 0.00 H new ATOM 808 N GLU A 57 5.002 12.778 10.692 1.00 0.00 N ATOM 809 CA GLU A 57 3.845 13.663 10.784 1.00 0.00 C ATOM 810 C GLU A 57 2.545 12.869 10.715 1.00 0.00 C ATOM 811 O GLU A 57 1.615 13.109 11.484 1.00 0.00 O ATOM 812 CB GLU A 57 3.881 14.703 9.662 1.00 0.00 C ATOM 813 CG GLU A 57 5.128 15.572 9.677 1.00 0.00 C ATOM 814 CD GLU A 57 6.259 14.983 8.855 1.00 0.00 C ATOM 815 OE1 GLU A 57 5.991 14.516 7.728 1.00 0.00 O ATOM 816 OE2 GLU A 57 7.410 14.991 9.339 1.00 0.00 O ATOM 0 H GLU A 57 5.378 12.670 9.750 1.00 0.00 H new ATOM 0 HA GLU A 57 3.887 14.174 11.746 1.00 0.00 H new ATOM 0 HB2 GLU A 57 3.816 14.191 8.702 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.002 15.342 9.742 1.00 0.00 H new ATOM 0 HG2 GLU A 57 4.881 16.562 9.292 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.462 15.704 10.706 1.00 0.00 H new ATOM 823 N LEU A 58 2.487 11.920 9.785 1.00 0.00 N ATOM 824 CA LEU A 58 1.301 11.089 9.614 1.00 0.00 C ATOM 825 C LEU A 58 0.866 10.479 10.943 1.00 0.00 C ATOM 826 O LEU A 58 -0.325 10.293 11.190 1.00 0.00 O ATOM 827 CB LEU A 58 1.575 9.980 8.597 1.00 0.00 C ATOM 828 CG LEU A 58 1.272 10.319 7.137 1.00 0.00 C ATOM 829 CD1 LEU A 58 2.199 11.419 6.641 1.00 0.00 C ATOM 830 CD2 LEU A 58 1.399 9.080 6.263 1.00 0.00 C ATOM 0 H LEU A 58 3.247 11.708 9.139 1.00 0.00 H new ATOM 0 HA LEU A 58 0.494 11.722 9.245 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.625 9.696 8.673 1.00 0.00 H new ATOM 0 HB3 LEU A 58 0.987 9.105 8.876 1.00 0.00 H new ATOM 0 HG LEU A 58 0.245 10.680 7.074 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.969 11.647 5.600 1.00 0.00 H new ATOM 0 HD12 LEU A 58 2.059 12.314 7.248 1.00 0.00 H new ATOM 0 HD13 LEU A 58 3.234 11.085 6.719 1.00 0.00 H new ATOM 0 HD21 LEU A 58 1.180 9.341 5.228 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.414 8.689 6.331 1.00 0.00 H new ATOM 0 HD23 LEU A 58 0.694 8.321 6.603 1.00 0.00 H new ATOM 842 N GLN A 59 1.840 10.173 11.795 1.00 0.00 N ATOM 843 CA GLN A 59 1.556 9.586 13.098 1.00 0.00 C ATOM 844 C GLN A 59 0.394 10.304 13.777 1.00 0.00 C ATOM 845 O GLN A 59 -0.425 9.680 14.452 1.00 0.00 O ATOM 846 CB GLN A 59 2.798 9.647 13.990 1.00 0.00 C ATOM 847 CG GLN A 59 3.220 11.062 14.350 1.00 0.00 C ATOM 848 CD GLN A 59 2.501 11.592 15.575 1.00 0.00 C ATOM 849 OE1 GLN A 59 1.592 10.949 16.102 1.00 0.00 O ATOM 850 NE2 GLN A 59 2.906 12.770 16.037 1.00 0.00 N ATOM 0 H GLN A 59 2.831 10.322 11.606 1.00 0.00 H new ATOM 0 HA GLN A 59 1.277 8.544 12.945 1.00 0.00 H new ATOM 0 HB2 GLN A 59 2.604 9.090 14.907 1.00 0.00 H new ATOM 0 HB3 GLN A 59 3.624 9.148 13.483 1.00 0.00 H new ATOM 0 HG2 GLN A 59 4.295 11.082 14.527 1.00 0.00 H new ATOM 0 HG3 GLN A 59 3.024 11.722 13.505 1.00 0.00 H new ATOM 0 HE21 GLN A 59 3.663 13.268 15.569 1.00 0.00 H new ATOM 0 HE22 GLN A 59 2.460 13.176 16.860 1.00 0.00 H new ATOM 859 N GLY A 60 0.329 11.619 13.595 1.00 0.00 N ATOM 860 CA GLY A 60 -0.737 12.399 14.196 1.00 0.00 C ATOM 861 C GLY A 60 -1.667 13.003 13.164 1.00 0.00 C ATOM 862 O GLY A 60 -2.060 14.166 13.274 1.00 0.00 O ATOM 0 H GLY A 60 0.995 12.158 13.042 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -1.311 11.764 14.871 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -0.303 13.196 14.800 1.00 0.00 H new ATOM 866 N LEU A 61 -2.020 12.214 12.155 1.00 0.00 N ATOM 867 CA LEU A 61 -2.910 12.679 11.096 1.00 0.00 C ATOM 868 C LEU A 61 -4.195 11.857 11.066 1.00 0.00 C ATOM 869 O LEU A 61 -4.256 10.759 11.617 1.00 0.00 O ATOM 870 CB LEU A 61 -2.207 12.596 9.740 1.00 0.00 C ATOM 871 CG LEU A 61 -1.379 13.816 9.337 1.00 0.00 C ATOM 872 CD1 LEU A 61 -0.674 13.571 8.012 1.00 0.00 C ATOM 873 CD2 LEU A 61 -2.259 15.055 9.255 1.00 0.00 C ATOM 0 H LEU A 61 -1.704 11.250 12.048 1.00 0.00 H new ATOM 0 HA LEU A 61 -3.169 13.718 11.302 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -1.553 11.724 9.745 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -2.961 12.424 8.972 1.00 0.00 H new ATOM 0 HG LEU A 61 -0.620 13.984 10.102 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -0.090 14.451 7.742 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -0.012 12.711 8.106 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -1.415 13.376 7.236 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -1.652 15.914 8.967 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -3.041 14.897 8.512 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -2.715 15.243 10.227 1.00 0.00 H new ATOM 885 N GLY A 62 -5.222 12.399 10.416 1.00 0.00 N ATOM 886 CA GLY A 62 -6.491 11.701 10.325 1.00 0.00 C ATOM 887 C GLY A 62 -6.421 10.482 9.427 1.00 0.00 C ATOM 888 O GLY A 62 -5.601 10.425 8.510 1.00 0.00 O ATOM 0 H GLY A 62 -5.197 13.307 9.952 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.806 11.395 11.323 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -7.251 12.384 9.946 1.00 0.00 H new ATOM 892 N ALA A 63 -7.281 9.505 9.690 1.00 0.00 N ATOM 893 CA ALA A 63 -7.312 8.281 8.898 1.00 0.00 C ATOM 894 C ALA A 63 -7.230 8.590 7.407 1.00 0.00 C ATOM 895 O ALA A 63 -6.609 7.850 6.643 1.00 0.00 O ATOM 896 CB ALA A 63 -8.573 7.487 9.204 1.00 0.00 C ATOM 0 H ALA A 63 -7.966 9.536 10.445 1.00 0.00 H new ATOM 0 HA ALA A 63 -6.443 7.681 9.167 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -8.583 6.576 8.606 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -8.591 7.227 10.262 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -9.449 8.089 8.963 1.00 0.00 H new ATOM 902 N LEU A 64 -7.859 9.687 6.999 1.00 0.00 N ATOM 903 CA LEU A 64 -7.857 10.094 5.598 1.00 0.00 C ATOM 904 C LEU A 64 -6.561 10.819 5.244 1.00 0.00 C ATOM 905 O LEU A 64 -5.898 10.479 4.264 1.00 0.00 O ATOM 906 CB LEU A 64 -9.056 10.997 5.307 1.00 0.00 C ATOM 907 CG LEU A 64 -9.642 10.901 3.898 1.00 0.00 C ATOM 908 CD1 LEU A 64 -10.015 9.462 3.571 1.00 0.00 C ATOM 909 CD2 LEU A 64 -10.853 11.811 3.761 1.00 0.00 C ATOM 0 H LEU A 64 -8.377 10.310 7.618 1.00 0.00 H new ATOM 0 HA LEU A 64 -7.929 9.196 4.984 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -9.844 10.763 6.023 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -8.759 12.030 5.486 1.00 0.00 H new ATOM 0 HG LEU A 64 -8.883 11.229 3.187 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -10.430 9.414 2.564 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -9.126 8.834 3.627 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -10.756 9.107 4.287 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -11.257 11.730 2.752 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -11.615 11.514 4.482 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -10.556 12.842 3.951 1.00 0.00 H new ATOM 921 N GLU A 65 -6.210 11.817 6.047 1.00 0.00 N ATOM 922 CA GLU A 65 -4.993 12.589 5.819 1.00 0.00 C ATOM 923 C GLU A 65 -3.831 11.674 5.444 1.00 0.00 C ATOM 924 O GLU A 65 -2.981 12.034 4.631 1.00 0.00 O ATOM 925 CB GLU A 65 -4.636 13.401 7.065 1.00 0.00 C ATOM 926 CG GLU A 65 -5.599 14.543 7.345 1.00 0.00 C ATOM 927 CD GLU A 65 -5.852 15.405 6.124 1.00 0.00 C ATOM 928 OE1 GLU A 65 -4.930 16.143 5.717 1.00 0.00 O ATOM 929 OE2 GLU A 65 -6.971 15.341 5.575 1.00 0.00 O ATOM 0 H GLU A 65 -6.750 12.111 6.861 1.00 0.00 H new ATOM 0 HA GLU A 65 -5.177 13.272 4.990 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -4.614 12.735 7.928 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -3.630 13.805 6.949 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -6.546 14.136 7.700 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -5.198 15.163 8.146 1.00 0.00 H new ATOM 936 N ALA A 66 -3.802 10.488 6.043 1.00 0.00 N ATOM 937 CA ALA A 66 -2.745 9.521 5.772 1.00 0.00 C ATOM 938 C ALA A 66 -2.787 9.056 4.320 1.00 0.00 C ATOM 939 O ALA A 66 -1.889 9.360 3.535 1.00 0.00 O ATOM 940 CB ALA A 66 -2.865 8.330 6.713 1.00 0.00 C ATOM 0 H ALA A 66 -4.498 10.174 6.719 1.00 0.00 H new ATOM 0 HA ALA A 66 -1.786 10.010 5.943 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -2.070 7.616 6.499 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -2.779 8.671 7.745 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -3.833 7.849 6.569 1.00 0.00 H new ATOM 946 N THR A 67 -3.835 8.316 3.970 1.00 0.00 N ATOM 947 CA THR A 67 -3.991 7.808 2.613 1.00 0.00 C ATOM 948 C THR A 67 -3.587 8.856 1.582 1.00 0.00 C ATOM 949 O THR A 67 -2.977 8.534 0.563 1.00 0.00 O ATOM 950 CB THR A 67 -5.444 7.372 2.341 1.00 0.00 C ATOM 951 OG1 THR A 67 -5.895 6.498 3.382 1.00 0.00 O ATOM 952 CG2 THR A 67 -5.554 6.666 0.997 1.00 0.00 C ATOM 0 H THR A 67 -4.588 8.056 4.607 1.00 0.00 H new ATOM 0 HA THR A 67 -3.335 6.942 2.523 1.00 0.00 H new ATOM 0 HB THR A 67 -6.070 8.264 2.318 1.00 0.00 H new ATOM 0 HG1 THR A 67 -6.430 5.775 2.993 1.00 0.00 H new ATOM 0 HG21 THR A 67 -6.588 6.367 0.826 1.00 0.00 H new ATOM 0 HG22 THR A 67 -5.236 7.342 0.204 1.00 0.00 H new ATOM 0 HG23 THR A 67 -4.916 5.782 0.997 1.00 0.00 H new ATOM 960 N ALA A 68 -3.928 10.111 1.857 1.00 0.00 N ATOM 961 CA ALA A 68 -3.598 11.207 0.954 1.00 0.00 C ATOM 962 C ALA A 68 -2.122 11.174 0.568 1.00 0.00 C ATOM 963 O ALA A 68 -1.782 11.115 -0.614 1.00 0.00 O ATOM 964 CB ALA A 68 -3.947 12.542 1.595 1.00 0.00 C ATOM 0 H ALA A 68 -4.432 10.394 2.697 1.00 0.00 H new ATOM 0 HA ALA A 68 -4.188 11.087 0.045 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -3.695 13.351 0.910 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -5.014 12.572 1.816 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -3.382 12.660 2.520 1.00 0.00 H new ATOM 970 N TRP A 69 -1.252 11.212 1.570 1.00 0.00 N ATOM 971 CA TRP A 69 0.187 11.187 1.334 1.00 0.00 C ATOM 972 C TRP A 69 0.581 9.974 0.499 1.00 0.00 C ATOM 973 O TRP A 69 1.133 10.113 -0.592 1.00 0.00 O ATOM 974 CB TRP A 69 0.943 11.173 2.664 1.00 0.00 C ATOM 975 CG TRP A 69 2.425 11.025 2.503 1.00 0.00 C ATOM 976 CD1 TRP A 69 3.338 12.030 2.346 1.00 0.00 C ATOM 977 CD2 TRP A 69 3.167 9.800 2.481 1.00 0.00 C ATOM 978 NE1 TRP A 69 4.601 11.503 2.228 1.00 0.00 N ATOM 979 CE2 TRP A 69 4.523 10.137 2.309 1.00 0.00 C ATOM 980 CE3 TRP A 69 2.816 8.452 2.593 1.00 0.00 C ATOM 981 CZ2 TRP A 69 5.527 9.174 2.244 1.00 0.00 C ATOM 982 CZ3 TRP A 69 3.814 7.497 2.528 1.00 0.00 C ATOM 983 CH2 TRP A 69 5.156 7.862 2.356 1.00 0.00 C ATOM 0 H TRP A 69 -1.517 11.260 2.554 1.00 0.00 H new ATOM 0 HA TRP A 69 0.455 12.088 0.781 1.00 0.00 H new ATOM 0 HB2 TRP A 69 0.734 12.097 3.202 1.00 0.00 H new ATOM 0 HB3 TRP A 69 0.568 10.354 3.278 1.00 0.00 H new ATOM 0 HD1 TRP A 69 3.101 13.083 2.319 1.00 0.00 H new ATOM 0 HE1 TRP A 69 5.458 12.041 2.101 1.00 0.00 H new ATOM 0 HE3 TRP A 69 1.785 8.161 2.728 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 6.562 9.453 2.110 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 3.555 6.452 2.611 1.00 0.00 H new ATOM 0 HH2 TRP A 69 5.912 7.092 2.311 1.00 0.00 H new ATOM 994 N ALA A 70 0.293 8.785 1.019 1.00 0.00 N ATOM 995 CA ALA A 70 0.615 7.547 0.319 1.00 0.00 C ATOM 996 C ALA A 70 0.341 7.673 -1.175 1.00 0.00 C ATOM 997 O ALA A 70 1.245 7.526 -1.998 1.00 0.00 O ATOM 998 CB ALA A 70 -0.175 6.387 0.906 1.00 0.00 C ATOM 0 H ALA A 70 -0.162 8.653 1.922 1.00 0.00 H new ATOM 0 HA ALA A 70 1.679 7.351 0.451 1.00 0.00 H new ATOM 0 HB1 ALA A 70 0.076 5.470 0.373 1.00 0.00 H new ATOM 0 HB2 ALA A 70 0.074 6.274 1.961 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -1.242 6.585 0.805 1.00 0.00 H new ATOM 1004 N LEU A 71 -0.913 7.948 -1.521 1.00 0.00 N ATOM 1005 CA LEU A 71 -1.307 8.093 -2.917 1.00 0.00 C ATOM 1006 C LEU A 71 -0.457 9.150 -3.616 1.00 0.00 C ATOM 1007 O LEU A 71 -0.270 9.108 -4.831 1.00 0.00 O ATOM 1008 CB LEU A 71 -2.787 8.468 -3.013 1.00 0.00 C ATOM 1009 CG LEU A 71 -3.783 7.338 -2.752 1.00 0.00 C ATOM 1010 CD1 LEU A 71 -5.072 7.889 -2.163 1.00 0.00 C ATOM 1011 CD2 LEU A 71 -4.067 6.569 -4.034 1.00 0.00 C ATOM 0 H LEU A 71 -1.673 8.075 -0.853 1.00 0.00 H new ATOM 0 HA LEU A 71 -1.147 7.137 -3.415 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.985 9.271 -2.303 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -2.976 8.869 -4.009 1.00 0.00 H new ATOM 0 HG LEU A 71 -3.342 6.651 -2.030 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -5.769 7.071 -1.984 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -4.855 8.394 -1.222 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -5.517 8.598 -2.861 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -4.778 5.769 -3.828 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -4.487 7.245 -4.778 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.140 6.141 -4.415 1.00 0.00 H new ATOM 1023 N LYS A 72 0.058 10.097 -2.838 1.00 0.00 N ATOM 1024 CA LYS A 72 0.892 11.163 -3.380 1.00 0.00 C ATOM 1025 C LYS A 72 2.312 10.668 -3.632 1.00 0.00 C ATOM 1026 O LYS A 72 2.733 10.517 -4.778 1.00 0.00 O ATOM 1027 CB LYS A 72 0.917 12.355 -2.420 1.00 0.00 C ATOM 1028 CG LYS A 72 1.316 13.662 -3.084 1.00 0.00 C ATOM 1029 CD LYS A 72 1.849 14.661 -2.073 1.00 0.00 C ATOM 1030 CE LYS A 72 1.685 16.092 -2.562 1.00 0.00 C ATOM 1031 NZ LYS A 72 2.522 17.045 -1.782 1.00 0.00 N ATOM 0 H LYS A 72 -0.088 10.147 -1.830 1.00 0.00 H new ATOM 0 HA LYS A 72 0.463 11.479 -4.331 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -0.070 12.471 -1.972 1.00 0.00 H new ATOM 0 HB3 LYS A 72 1.612 12.142 -1.608 1.00 0.00 H new ATOM 0 HG2 LYS A 72 2.076 13.469 -3.841 1.00 0.00 H new ATOM 0 HG3 LYS A 72 0.454 14.088 -3.598 1.00 0.00 H new ATOM 0 HD2 LYS A 72 1.324 14.537 -1.126 1.00 0.00 H new ATOM 0 HD3 LYS A 72 2.903 14.459 -1.882 1.00 0.00 H new ATOM 0 HE2 LYS A 72 1.957 16.149 -3.616 1.00 0.00 H new ATOM 0 HE3 LYS A 72 0.637 16.383 -2.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 2.382 18.009 -2.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 2.246 17.010 -0.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 3.524 16.783 -1.874 1.00 0.00 H new ATOM 1045 N VAL A 73 3.046 10.418 -2.553 1.00 0.00 N ATOM 1046 CA VAL A 73 4.419 9.937 -2.658 1.00 0.00 C ATOM 1047 C VAL A 73 4.514 8.749 -3.609 1.00 0.00 C ATOM 1048 O VAL A 73 5.526 8.562 -4.285 1.00 0.00 O ATOM 1049 CB VAL A 73 4.976 9.526 -1.282 1.00 0.00 C ATOM 1050 CG1 VAL A 73 6.297 8.787 -1.440 1.00 0.00 C ATOM 1051 CG2 VAL A 73 5.140 10.744 -0.388 1.00 0.00 C ATOM 0 H VAL A 73 2.714 10.540 -1.596 1.00 0.00 H new ATOM 0 HA VAL A 73 5.014 10.761 -3.051 1.00 0.00 H new ATOM 0 HB VAL A 73 4.264 8.851 -0.808 1.00 0.00 H new ATOM 0 HG11 VAL A 73 6.676 8.504 -0.458 1.00 0.00 H new ATOM 0 HG12 VAL A 73 6.143 7.891 -2.041 1.00 0.00 H new ATOM 0 HG13 VAL A 73 7.020 9.436 -1.935 1.00 0.00 H new ATOM 0 HG21 VAL A 73 5.534 10.434 0.580 1.00 0.00 H new ATOM 0 HG22 VAL A 73 5.831 11.447 -0.854 1.00 0.00 H new ATOM 0 HG23 VAL A 73 4.172 11.226 -0.248 1.00 0.00 H new ATOM 1061 N ALA A 74 3.455 7.948 -3.655 1.00 0.00 N ATOM 1062 CA ALA A 74 3.418 6.780 -4.526 1.00 0.00 C ATOM 1063 C ALA A 74 3.213 7.185 -5.981 1.00 0.00 C ATOM 1064 O ALA A 74 3.765 6.566 -6.891 1.00 0.00 O ATOM 1065 CB ALA A 74 2.319 5.826 -4.081 1.00 0.00 C ATOM 0 H ALA A 74 2.611 8.087 -3.099 1.00 0.00 H new ATOM 0 HA ALA A 74 4.379 6.271 -4.451 1.00 0.00 H new ATOM 0 HB1 ALA A 74 2.302 4.958 -4.740 1.00 0.00 H new ATOM 0 HB2 ALA A 74 2.511 5.502 -3.058 1.00 0.00 H new ATOM 0 HB3 ALA A 74 1.356 6.334 -4.126 1.00 0.00 H new ATOM 1071 N GLU A 75 2.416 8.228 -6.193 1.00 0.00 N ATOM 1072 CA GLU A 75 2.138 8.714 -7.540 1.00 0.00 C ATOM 1073 C GLU A 75 3.235 9.664 -8.013 1.00 0.00 C ATOM 1074 O GLU A 75 3.332 9.974 -9.199 1.00 0.00 O ATOM 1075 CB GLU A 75 0.782 9.422 -7.581 1.00 0.00 C ATOM 1076 CG GLU A 75 0.427 9.979 -8.949 1.00 0.00 C ATOM 1077 CD GLU A 75 1.144 11.281 -9.252 1.00 0.00 C ATOM 1078 OE1 GLU A 75 1.663 11.908 -8.305 1.00 0.00 O ATOM 1079 OE2 GLU A 75 1.184 11.672 -10.438 1.00 0.00 O ATOM 0 H GLU A 75 1.952 8.752 -5.451 1.00 0.00 H new ATOM 0 HA GLU A 75 2.112 7.855 -8.210 1.00 0.00 H new ATOM 0 HB2 GLU A 75 0.007 8.722 -7.271 1.00 0.00 H new ATOM 0 HB3 GLU A 75 0.785 10.236 -6.856 1.00 0.00 H new ATOM 0 HG2 GLU A 75 0.678 9.244 -9.713 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -0.650 10.140 -9.004 1.00 0.00 H new ATOM 1086 N ASN A 76 4.059 10.121 -7.075 1.00 0.00 N ATOM 1087 CA ASN A 76 5.148 11.035 -7.395 1.00 0.00 C ATOM 1088 C ASN A 76 6.467 10.282 -7.542 1.00 0.00 C ATOM 1089 O ASN A 76 7.075 10.279 -8.611 1.00 0.00 O ATOM 1090 CB ASN A 76 5.278 12.107 -6.309 1.00 0.00 C ATOM 1091 CG ASN A 76 4.316 13.261 -6.518 1.00 0.00 C ATOM 1092 OD1 ASN A 76 4.658 14.264 -7.143 1.00 0.00 O ATOM 1093 ND2 ASN A 76 3.104 13.122 -5.993 1.00 0.00 N ATOM 0 H ASN A 76 3.993 9.873 -6.088 1.00 0.00 H new ATOM 0 HA ASN A 76 4.917 11.516 -8.346 1.00 0.00 H new ATOM 0 HB2 ASN A 76 5.094 11.656 -5.334 1.00 0.00 H new ATOM 0 HB3 ASN A 76 6.300 12.487 -6.297 1.00 0.00 H new ATOM 0 HD21 ASN A 76 2.413 13.865 -6.101 1.00 0.00 H new ATOM 0 HD22 ASN A 76 2.864 12.272 -5.482 1.00 0.00 H new ATOM 1100 N GLU A 77 6.901 9.644 -6.459 1.00 0.00 N ATOM 1101 CA GLU A 77 8.146 8.887 -6.468 1.00 0.00 C ATOM 1102 C GLU A 77 7.990 7.590 -7.256 1.00 0.00 C ATOM 1103 O GLU A 77 8.548 7.440 -8.344 1.00 0.00 O ATOM 1104 CB GLU A 77 8.591 8.577 -5.037 1.00 0.00 C ATOM 1105 CG GLU A 77 9.498 9.638 -4.438 1.00 0.00 C ATOM 1106 CD GLU A 77 10.693 9.950 -5.318 1.00 0.00 C ATOM 1107 OE1 GLU A 77 11.484 9.023 -5.593 1.00 0.00 O ATOM 1108 OE2 GLU A 77 10.838 11.119 -5.732 1.00 0.00 O ATOM 0 H GLU A 77 6.409 9.637 -5.566 1.00 0.00 H new ATOM 0 HA GLU A 77 8.908 9.497 -6.954 1.00 0.00 H new ATOM 0 HB2 GLU A 77 7.708 8.468 -4.407 1.00 0.00 H new ATOM 0 HB3 GLU A 77 9.111 7.619 -5.027 1.00 0.00 H new ATOM 0 HG2 GLU A 77 8.924 10.550 -4.274 1.00 0.00 H new ATOM 0 HG3 GLU A 77 9.848 9.302 -3.462 1.00 0.00 H new ATOM 1115 N LEU A 78 7.228 6.656 -6.699 1.00 0.00 N ATOM 1116 CA LEU A 78 6.997 5.370 -7.348 1.00 0.00 C ATOM 1117 C LEU A 78 6.370 5.560 -8.726 1.00 0.00 C ATOM 1118 O LEU A 78 6.730 4.875 -9.683 1.00 0.00 O ATOM 1119 CB LEU A 78 6.092 4.493 -6.481 1.00 0.00 C ATOM 1120 CG LEU A 78 6.379 4.512 -4.979 1.00 0.00 C ATOM 1121 CD1 LEU A 78 5.442 3.567 -4.244 1.00 0.00 C ATOM 1122 CD2 LEU A 78 7.831 4.145 -4.708 1.00 0.00 C ATOM 0 H LEU A 78 6.759 6.765 -5.800 1.00 0.00 H new ATOM 0 HA LEU A 78 7.961 4.876 -7.472 1.00 0.00 H new ATOM 0 HB2 LEU A 78 5.059 4.805 -6.637 1.00 0.00 H new ATOM 0 HB3 LEU A 78 6.171 3.464 -6.833 1.00 0.00 H new ATOM 0 HG LEU A 78 6.206 5.522 -4.609 1.00 0.00 H new ATOM 0 HD11 LEU A 78 5.661 3.594 -3.177 1.00 0.00 H new ATOM 0 HD12 LEU A 78 4.410 3.876 -4.410 1.00 0.00 H new ATOM 0 HD13 LEU A 78 5.582 2.553 -4.617 1.00 0.00 H new ATOM 0 HD21 LEU A 78 8.017 4.164 -3.634 1.00 0.00 H new ATOM 0 HD22 LEU A 78 8.032 3.145 -5.094 1.00 0.00 H new ATOM 0 HD23 LEU A 78 8.486 4.863 -5.202 1.00 0.00 H new ATOM 1134 N GLY A 79 5.430 6.496 -8.819 1.00 0.00 N ATOM 1135 CA GLY A 79 4.770 6.761 -10.083 1.00 0.00 C ATOM 1136 C GLY A 79 3.549 5.887 -10.294 1.00 0.00 C ATOM 1137 O GLY A 79 3.106 5.691 -11.426 1.00 0.00 O ATOM 0 H GLY A 79 5.114 7.075 -8.041 1.00 0.00 H new ATOM 0 HA2 GLY A 79 4.474 7.809 -10.122 1.00 0.00 H new ATOM 0 HA3 GLY A 79 5.475 6.598 -10.898 1.00 0.00 H new ATOM 1141 N ILE A 80 3.004 5.360 -9.203 1.00 0.00 N ATOM 1142 CA ILE A 80 1.828 4.502 -9.274 1.00 0.00 C ATOM 1143 C ILE A 80 0.545 5.325 -9.237 1.00 0.00 C ATOM 1144 O ILE A 80 0.012 5.618 -8.166 1.00 0.00 O ATOM 1145 CB ILE A 80 1.805 3.482 -8.121 1.00 0.00 C ATOM 1146 CG1 ILE A 80 3.072 2.625 -8.143 1.00 0.00 C ATOM 1147 CG2 ILE A 80 0.565 2.606 -8.214 1.00 0.00 C ATOM 1148 CD1 ILE A 80 3.154 1.700 -9.336 1.00 0.00 C ATOM 0 H ILE A 80 3.358 5.512 -8.259 1.00 0.00 H new ATOM 0 HA ILE A 80 1.885 3.965 -10.221 1.00 0.00 H new ATOM 0 HB ILE A 80 1.773 4.025 -7.176 1.00 0.00 H new ATOM 0 HG12 ILE A 80 3.944 3.279 -8.140 1.00 0.00 H new ATOM 0 HG13 ILE A 80 3.116 2.032 -7.230 1.00 0.00 H new ATOM 0 HG21 ILE A 80 0.563 1.890 -7.392 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -0.327 3.230 -8.154 1.00 0.00 H new ATOM 0 HG23 ILE A 80 0.569 2.069 -9.163 1.00 0.00 H new ATOM 0 HD11 ILE A 80 4.078 1.123 -9.286 1.00 0.00 H new ATOM 0 HD12 ILE A 80 2.301 1.021 -9.329 1.00 0.00 H new ATOM 0 HD13 ILE A 80 3.142 2.288 -10.254 1.00 0.00 H new ATOM 1160 N THR A 81 0.051 5.694 -10.414 1.00 0.00 N ATOM 1161 CA THR A 81 -1.172 6.482 -10.517 1.00 0.00 C ATOM 1162 C THR A 81 -2.246 5.958 -9.570 1.00 0.00 C ATOM 1163 O THR A 81 -2.517 4.759 -9.504 1.00 0.00 O ATOM 1164 CB THR A 81 -1.724 6.477 -11.955 1.00 0.00 C ATOM 1165 OG1 THR A 81 -0.781 7.086 -12.844 1.00 0.00 O ATOM 1166 CG2 THR A 81 -3.050 7.220 -12.027 1.00 0.00 C ATOM 0 H THR A 81 0.479 5.460 -11.310 1.00 0.00 H new ATOM 0 HA THR A 81 -0.914 7.504 -10.238 1.00 0.00 H new ATOM 0 HB THR A 81 -1.888 5.442 -12.255 1.00 0.00 H new ATOM 0 HG1 THR A 81 -1.139 7.077 -13.756 1.00 0.00 H new ATOM 0 HG21 THR A 81 -3.421 7.204 -13.052 1.00 0.00 H new ATOM 0 HG22 THR A 81 -3.774 6.737 -11.371 1.00 0.00 H new ATOM 0 HG23 THR A 81 -2.906 8.253 -11.710 1.00 0.00 H new ATOM 1174 N PRO A 82 -2.873 6.875 -8.820 1.00 0.00 N ATOM 1175 CA PRO A 82 -3.928 6.529 -7.863 1.00 0.00 C ATOM 1176 C PRO A 82 -5.210 6.075 -8.554 1.00 0.00 C ATOM 1177 O PRO A 82 -6.041 6.896 -8.942 1.00 0.00 O ATOM 1178 CB PRO A 82 -4.163 7.837 -7.104 1.00 0.00 C ATOM 1179 CG PRO A 82 -3.734 8.906 -8.050 1.00 0.00 C ATOM 1180 CD PRO A 82 -2.600 8.323 -8.846 1.00 0.00 C ATOM 0 HA PRO A 82 -3.640 5.696 -7.222 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -5.211 7.951 -6.827 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -3.584 7.869 -6.181 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -4.556 9.203 -8.701 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -3.415 9.798 -7.512 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -2.583 8.710 -9.865 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -1.634 8.558 -8.400 1.00 0.00 H new ATOM 1188 N VAL A 83 -5.364 4.764 -8.703 1.00 0.00 N ATOM 1189 CA VAL A 83 -6.546 4.201 -9.345 1.00 0.00 C ATOM 1190 C VAL A 83 -7.784 4.382 -8.474 1.00 0.00 C ATOM 1191 O VAL A 83 -8.900 4.495 -8.979 1.00 0.00 O ATOM 1192 CB VAL A 83 -6.360 2.703 -9.649 1.00 0.00 C ATOM 1193 CG1 VAL A 83 -6.647 1.867 -8.411 1.00 0.00 C ATOM 1194 CG2 VAL A 83 -7.252 2.279 -10.806 1.00 0.00 C ATOM 0 H VAL A 83 -4.685 4.071 -8.388 1.00 0.00 H new ATOM 0 HA VAL A 83 -6.683 4.740 -10.282 1.00 0.00 H new ATOM 0 HB VAL A 83 -5.323 2.536 -9.939 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -6.510 0.811 -8.645 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -5.963 2.153 -7.612 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -7.674 2.037 -8.087 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -7.107 1.217 -11.007 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -8.295 2.460 -10.547 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -6.994 2.855 -11.695 1.00 0.00 H new ATOM 1204 N VAL A 84 -7.578 4.408 -7.161 1.00 0.00 N ATOM 1205 CA VAL A 84 -8.677 4.577 -6.217 1.00 0.00 C ATOM 1206 C VAL A 84 -8.510 5.854 -5.402 1.00 0.00 C ATOM 1207 O VAL A 84 -7.506 6.038 -4.716 1.00 0.00 O ATOM 1208 CB VAL A 84 -8.781 3.378 -5.257 1.00 0.00 C ATOM 1209 CG1 VAL A 84 -9.876 3.612 -4.228 1.00 0.00 C ATOM 1210 CG2 VAL A 84 -9.033 2.094 -6.033 1.00 0.00 C ATOM 0 H VAL A 84 -6.660 4.314 -6.727 1.00 0.00 H new ATOM 0 HA VAL A 84 -9.592 4.642 -6.805 1.00 0.00 H new ATOM 0 HB VAL A 84 -7.834 3.275 -4.728 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -9.935 2.754 -3.558 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -9.648 4.508 -3.651 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -10.831 3.742 -4.736 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -9.104 1.257 -5.338 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -9.966 2.183 -6.590 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -8.211 1.921 -6.727 1.00 0.00 H new ATOM 1220 N SER A 85 -9.502 6.736 -5.483 1.00 0.00 N ATOM 1221 CA SER A 85 -9.464 7.998 -4.755 1.00 0.00 C ATOM 1222 C SER A 85 -9.155 7.765 -3.280 1.00 0.00 C ATOM 1223 O SER A 85 -9.539 6.746 -2.707 1.00 0.00 O ATOM 1224 CB SER A 85 -10.798 8.734 -4.899 1.00 0.00 C ATOM 1225 OG SER A 85 -10.614 10.138 -4.845 1.00 0.00 O ATOM 0 H SER A 85 -10.342 6.599 -6.046 1.00 0.00 H new ATOM 0 HA SER A 85 -8.671 8.612 -5.181 1.00 0.00 H new ATOM 0 HB2 SER A 85 -11.267 8.462 -5.844 1.00 0.00 H new ATOM 0 HB3 SER A 85 -11.477 8.422 -4.105 1.00 0.00 H new ATOM 0 HG SER A 85 -11.481 10.585 -4.941 1.00 0.00 H new ATOM 1231 N ALA A 86 -8.457 8.718 -2.670 1.00 0.00 N ATOM 1232 CA ALA A 86 -8.097 8.620 -1.262 1.00 0.00 C ATOM 1233 C ALA A 86 -9.319 8.311 -0.403 1.00 0.00 C ATOM 1234 O ALA A 86 -9.245 7.518 0.534 1.00 0.00 O ATOM 1235 CB ALA A 86 -7.433 9.906 -0.794 1.00 0.00 C ATOM 0 H ALA A 86 -8.130 9.567 -3.130 1.00 0.00 H new ATOM 0 HA ALA A 86 -7.389 7.798 -1.151 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -7.170 9.817 0.260 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -6.531 10.084 -1.379 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -8.122 10.740 -0.927 1.00 0.00 H new ATOM 1241 N GLN A 87 -10.441 8.945 -0.729 1.00 0.00 N ATOM 1242 CA GLN A 87 -11.677 8.739 0.015 1.00 0.00 C ATOM 1243 C GLN A 87 -12.185 7.312 -0.158 1.00 0.00 C ATOM 1244 O GLN A 87 -12.380 6.589 0.818 1.00 0.00 O ATOM 1245 CB GLN A 87 -12.746 9.732 -0.446 1.00 0.00 C ATOM 1246 CG GLN A 87 -13.780 10.053 0.621 1.00 0.00 C ATOM 1247 CD GLN A 87 -14.926 10.891 0.090 1.00 0.00 C ATOM 1248 OE1 GLN A 87 -15.205 11.977 0.601 1.00 0.00 O ATOM 1249 NE2 GLN A 87 -15.598 10.392 -0.942 1.00 0.00 N ATOM 0 H GLN A 87 -10.519 9.605 -1.503 1.00 0.00 H new ATOM 0 HA GLN A 87 -11.467 8.905 1.072 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -12.260 10.656 -0.759 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -13.253 9.326 -1.321 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -14.174 9.123 1.031 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -13.297 10.583 1.442 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -15.333 9.489 -1.334 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -16.379 10.912 -1.342 1.00 0.00 H new ATOM 1258 N ALA A 88 -12.398 6.912 -1.408 1.00 0.00 N ATOM 1259 CA ALA A 88 -12.880 5.570 -1.708 1.00 0.00 C ATOM 1260 C ALA A 88 -12.122 4.519 -0.904 1.00 0.00 C ATOM 1261 O ALA A 88 -12.723 3.628 -0.306 1.00 0.00 O ATOM 1262 CB ALA A 88 -12.758 5.286 -3.198 1.00 0.00 C ATOM 0 H ALA A 88 -12.244 7.498 -2.228 1.00 0.00 H new ATOM 0 HA ALA A 88 -13.931 5.518 -1.423 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -13.122 4.280 -3.408 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -13.351 6.010 -3.756 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -11.713 5.364 -3.499 1.00 0.00 H new ATOM 1268 N VAL A 89 -10.797 4.632 -0.894 1.00 0.00 N ATOM 1269 CA VAL A 89 -9.955 3.692 -0.163 1.00 0.00 C ATOM 1270 C VAL A 89 -10.366 3.613 1.303 1.00 0.00 C ATOM 1271 O VAL A 89 -10.689 2.539 1.811 1.00 0.00 O ATOM 1272 CB VAL A 89 -8.469 4.086 -0.248 1.00 0.00 C ATOM 1273 CG1 VAL A 89 -7.611 3.102 0.531 1.00 0.00 C ATOM 1274 CG2 VAL A 89 -8.022 4.164 -1.701 1.00 0.00 C ATOM 0 H VAL A 89 -10.284 5.365 -1.384 1.00 0.00 H new ATOM 0 HA VAL A 89 -10.091 2.716 -0.629 1.00 0.00 H new ATOM 0 HB VAL A 89 -8.345 5.072 0.200 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -6.564 3.396 0.460 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -7.917 3.101 1.577 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -7.736 2.102 0.116 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -6.969 4.444 -1.743 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -8.159 3.193 -2.176 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -8.617 4.912 -2.225 1.00 0.00 H new ATOM 1284 N VAL A 90 -10.352 4.758 1.978 1.00 0.00 N ATOM 1285 CA VAL A 90 -10.723 4.819 3.386 1.00 0.00 C ATOM 1286 C VAL A 90 -12.208 4.529 3.576 1.00 0.00 C ATOM 1287 O VAL A 90 -12.583 3.534 4.195 1.00 0.00 O ATOM 1288 CB VAL A 90 -10.401 6.198 3.993 1.00 0.00 C ATOM 1289 CG1 VAL A 90 -10.939 6.297 5.411 1.00 0.00 C ATOM 1290 CG2 VAL A 90 -8.901 6.453 3.965 1.00 0.00 C ATOM 0 H VAL A 90 -10.088 5.656 1.572 1.00 0.00 H new ATOM 0 HA VAL A 90 -10.137 4.057 3.900 1.00 0.00 H new ATOM 0 HB VAL A 90 -10.890 6.964 3.391 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -10.702 7.278 5.823 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -12.020 6.160 5.400 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -10.481 5.524 6.029 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -8.690 7.431 4.397 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -8.390 5.683 4.543 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -8.547 6.428 2.934 1.00 0.00 H new ATOM 1300 N ALA A 91 -13.051 5.404 3.037 1.00 0.00 N ATOM 1301 CA ALA A 91 -14.495 5.241 3.144 1.00 0.00 C ATOM 1302 C ALA A 91 -14.892 3.774 3.015 1.00 0.00 C ATOM 1303 O ALA A 91 -15.722 3.276 3.775 1.00 0.00 O ATOM 1304 CB ALA A 91 -15.201 6.075 2.085 1.00 0.00 C ATOM 0 H ALA A 91 -12.758 6.234 2.521 1.00 0.00 H new ATOM 0 HA ALA A 91 -14.803 5.589 4.130 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -16.279 5.943 2.177 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -14.951 7.127 2.224 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -14.880 5.753 1.094 1.00 0.00 H new ATOM 1310 N GLY A 92 -14.294 3.086 2.047 1.00 0.00 N ATOM 1311 CA GLY A 92 -14.600 1.683 1.836 1.00 0.00 C ATOM 1312 C GLY A 92 -15.712 1.478 0.828 1.00 0.00 C ATOM 1313 O GLY A 92 -16.532 0.571 0.975 1.00 0.00 O ATOM 0 H GLY A 92 -13.603 3.475 1.405 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -13.703 1.166 1.493 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -14.886 1.230 2.785 1.00 0.00 H new ATOM 1317 N SER A 93 -15.743 2.322 -0.198 1.00 0.00 N ATOM 1318 CA SER A 93 -16.767 2.231 -1.232 1.00 0.00 C ATOM 1319 C SER A 93 -16.278 1.395 -2.410 1.00 0.00 C ATOM 1320 O SER A 93 -17.019 0.574 -2.953 1.00 0.00 O ATOM 1321 CB SER A 93 -17.160 3.630 -1.714 1.00 0.00 C ATOM 1322 OG SER A 93 -18.267 3.572 -2.597 1.00 0.00 O ATOM 0 H SER A 93 -15.071 3.077 -0.336 1.00 0.00 H new ATOM 0 HA SER A 93 -17.641 1.743 -0.801 1.00 0.00 H new ATOM 0 HB2 SER A 93 -17.406 4.257 -0.857 1.00 0.00 H new ATOM 0 HB3 SER A 93 -16.313 4.096 -2.217 1.00 0.00 H new ATOM 0 HG SER A 93 -18.500 4.478 -2.890 1.00 0.00 H new ATOM 1328 N ASP A 94 -15.027 1.608 -2.800 1.00 0.00 N ATOM 1329 CA ASP A 94 -14.436 0.873 -3.912 1.00 0.00 C ATOM 1330 C ASP A 94 -13.435 -0.163 -3.410 1.00 0.00 C ATOM 1331 O ASP A 94 -12.237 0.095 -3.303 1.00 0.00 O ATOM 1332 CB ASP A 94 -13.747 1.838 -4.879 1.00 0.00 C ATOM 1333 CG ASP A 94 -14.634 3.006 -5.262 1.00 0.00 C ATOM 1334 OD1 ASP A 94 -14.927 3.842 -4.380 1.00 0.00 O ATOM 1335 OD2 ASP A 94 -15.034 3.087 -6.441 1.00 0.00 O ATOM 0 H ASP A 94 -14.401 2.284 -2.362 1.00 0.00 H new ATOM 0 HA ASP A 94 -15.237 0.352 -4.437 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -12.832 2.215 -4.421 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -13.454 1.298 -5.779 1.00 0.00 H new ATOM 1340 N PRO A 95 -13.938 -1.365 -3.091 1.00 0.00 N ATOM 1341 CA PRO A 95 -13.106 -2.465 -2.595 1.00 0.00 C ATOM 1342 C PRO A 95 -12.184 -3.026 -3.671 1.00 0.00 C ATOM 1343 O PRO A 95 -10.980 -3.179 -3.454 1.00 0.00 O ATOM 1344 CB PRO A 95 -14.130 -3.518 -2.164 1.00 0.00 C ATOM 1345 CG PRO A 95 -15.336 -3.234 -2.992 1.00 0.00 C ATOM 1346 CD PRO A 95 -15.358 -1.744 -3.193 1.00 0.00 C ATOM 0 HA PRO A 95 -12.442 -2.144 -1.793 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -13.758 -4.527 -2.340 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -14.353 -3.441 -1.100 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -15.285 -3.756 -3.947 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -16.242 -3.574 -2.491 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -15.777 -1.475 -4.163 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -15.963 -1.245 -2.435 1.00 0.00 H new ATOM 1354 N LEU A 96 -12.754 -3.333 -4.831 1.00 0.00 N ATOM 1355 CA LEU A 96 -11.982 -3.877 -5.943 1.00 0.00 C ATOM 1356 C LEU A 96 -10.836 -2.945 -6.319 1.00 0.00 C ATOM 1357 O LEU A 96 -9.696 -3.379 -6.479 1.00 0.00 O ATOM 1358 CB LEU A 96 -12.887 -4.105 -7.154 1.00 0.00 C ATOM 1359 CG LEU A 96 -13.731 -5.381 -7.131 1.00 0.00 C ATOM 1360 CD1 LEU A 96 -15.075 -5.120 -6.469 1.00 0.00 C ATOM 1361 CD2 LEU A 96 -13.926 -5.917 -8.542 1.00 0.00 C ATOM 0 H LEU A 96 -13.748 -3.215 -5.026 1.00 0.00 H new ATOM 0 HA LEU A 96 -11.560 -4.831 -5.627 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -13.558 -3.251 -7.247 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -12.265 -4.121 -8.049 1.00 0.00 H new ATOM 0 HG LEU A 96 -13.201 -6.134 -6.547 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -15.662 -6.039 -6.462 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -14.917 -4.782 -5.445 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -15.611 -4.351 -7.025 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -14.528 -6.825 -8.506 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -14.434 -5.168 -9.149 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -12.955 -6.143 -8.983 1.00 0.00 H new ATOM 1373 N GLY A 97 -11.146 -1.658 -6.455 1.00 0.00 N ATOM 1374 CA GLY A 97 -10.130 -0.684 -6.809 1.00 0.00 C ATOM 1375 C GLY A 97 -8.852 -0.865 -6.014 1.00 0.00 C ATOM 1376 O GLY A 97 -7.780 -1.064 -6.587 1.00 0.00 O ATOM 0 H GLY A 97 -12.082 -1.274 -6.326 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -9.907 -0.766 -7.873 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -10.519 0.320 -6.641 1.00 0.00 H new ATOM 1380 N LEU A 98 -8.964 -0.793 -4.692 1.00 0.00 N ATOM 1381 CA LEU A 98 -7.807 -0.948 -3.817 1.00 0.00 C ATOM 1382 C LEU A 98 -6.940 -2.121 -4.264 1.00 0.00 C ATOM 1383 O LEU A 98 -5.743 -1.964 -4.506 1.00 0.00 O ATOM 1384 CB LEU A 98 -8.261 -1.156 -2.372 1.00 0.00 C ATOM 1385 CG LEU A 98 -7.152 -1.409 -1.349 1.00 0.00 C ATOM 1386 CD1 LEU A 98 -6.123 -0.289 -1.392 1.00 0.00 C ATOM 1387 CD2 LEU A 98 -7.736 -1.545 0.049 1.00 0.00 C ATOM 0 H LEU A 98 -9.844 -0.628 -4.203 1.00 0.00 H new ATOM 0 HA LEU A 98 -7.212 -0.037 -3.877 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -8.823 -0.276 -2.059 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -8.950 -2.000 -2.347 1.00 0.00 H new ATOM 0 HG LEU A 98 -6.654 -2.344 -1.605 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -5.341 -0.485 -0.658 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -5.682 -0.238 -2.387 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -6.608 0.660 -1.161 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -6.932 -1.725 0.763 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -8.260 -0.627 0.315 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -8.435 -2.381 0.072 1.00 0.00 H new ATOM 1399 N ILE A 99 -7.553 -3.296 -4.373 1.00 0.00 N ATOM 1400 CA ILE A 99 -6.837 -4.493 -4.794 1.00 0.00 C ATOM 1401 C ILE A 99 -5.993 -4.223 -6.035 1.00 0.00 C ATOM 1402 O ILE A 99 -4.801 -4.526 -6.064 1.00 0.00 O ATOM 1403 CB ILE A 99 -7.806 -5.654 -5.089 1.00 0.00 C ATOM 1404 CG1 ILE A 99 -8.627 -5.991 -3.842 1.00 0.00 C ATOM 1405 CG2 ILE A 99 -7.040 -6.875 -5.572 1.00 0.00 C ATOM 1406 CD1 ILE A 99 -9.733 -6.989 -4.100 1.00 0.00 C ATOM 0 H ILE A 99 -8.543 -3.443 -4.176 1.00 0.00 H new ATOM 0 HA ILE A 99 -6.184 -4.775 -3.968 1.00 0.00 H new ATOM 0 HB ILE A 99 -8.490 -5.344 -5.879 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -7.962 -6.388 -3.075 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -9.061 -5.074 -3.444 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -7.739 -7.686 -5.776 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -6.497 -6.626 -6.484 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -6.334 -7.189 -4.803 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -10.273 -7.181 -3.173 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -10.420 -6.586 -4.844 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -9.304 -7.920 -4.469 1.00 0.00 H new ATOM 1418 N ALA A 100 -6.621 -3.648 -7.056 1.00 0.00 N ATOM 1419 CA ALA A 100 -5.926 -3.332 -8.299 1.00 0.00 C ATOM 1420 C ALA A 100 -4.811 -2.319 -8.062 1.00 0.00 C ATOM 1421 O ALA A 100 -3.699 -2.477 -8.566 1.00 0.00 O ATOM 1422 CB ALA A 100 -6.909 -2.805 -9.333 1.00 0.00 C ATOM 0 H ALA A 100 -7.608 -3.392 -7.047 1.00 0.00 H new ATOM 0 HA ALA A 100 -5.474 -4.249 -8.677 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -6.377 -2.573 -10.256 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -7.668 -3.561 -9.532 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -7.387 -1.902 -8.953 1.00 0.00 H new ATOM 1428 N TYR A 101 -5.115 -1.280 -7.293 1.00 0.00 N ATOM 1429 CA TYR A 101 -4.139 -0.239 -6.993 1.00 0.00 C ATOM 1430 C TYR A 101 -2.838 -0.846 -6.478 1.00 0.00 C ATOM 1431 O TYR A 101 -1.758 -0.558 -6.995 1.00 0.00 O ATOM 1432 CB TYR A 101 -4.705 0.737 -5.960 1.00 0.00 C ATOM 1433 CG TYR A 101 -3.803 1.920 -5.688 1.00 0.00 C ATOM 1434 CD1 TYR A 101 -3.251 2.651 -6.732 1.00 0.00 C ATOM 1435 CD2 TYR A 101 -3.504 2.306 -4.387 1.00 0.00 C ATOM 1436 CE1 TYR A 101 -2.425 3.733 -6.488 1.00 0.00 C ATOM 1437 CE2 TYR A 101 -2.682 3.387 -4.134 1.00 0.00 C ATOM 1438 CZ TYR A 101 -2.144 4.096 -5.188 1.00 0.00 C ATOM 1439 OH TYR A 101 -1.324 5.173 -4.940 1.00 0.00 O ATOM 0 H TYR A 101 -6.030 -1.136 -6.866 1.00 0.00 H new ATOM 0 HA TYR A 101 -3.926 0.302 -7.915 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -5.672 1.100 -6.307 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -4.882 0.203 -5.026 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -3.470 2.370 -7.751 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -3.921 1.751 -3.560 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -2.003 4.290 -7.311 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -2.462 3.675 -3.117 1.00 0.00 H new ATOM 0 HH TYR A 101 -1.469 5.859 -5.624 1.00 0.00 H new ATOM 1449 N LEU A 102 -2.949 -1.687 -5.456 1.00 0.00 N ATOM 1450 CA LEU A 102 -1.782 -2.337 -4.870 1.00 0.00 C ATOM 1451 C LEU A 102 -1.023 -3.145 -5.918 1.00 0.00 C ATOM 1452 O LEU A 102 0.189 -2.998 -6.072 1.00 0.00 O ATOM 1453 CB LEU A 102 -2.207 -3.248 -3.717 1.00 0.00 C ATOM 1454 CG LEU A 102 -2.881 -2.559 -2.530 1.00 0.00 C ATOM 1455 CD1 LEU A 102 -3.576 -3.580 -1.643 1.00 0.00 C ATOM 1456 CD2 LEU A 102 -1.863 -1.759 -1.729 1.00 0.00 C ATOM 0 H LEU A 102 -3.835 -1.935 -5.016 1.00 0.00 H new ATOM 0 HA LEU A 102 -1.119 -1.561 -4.487 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -2.889 -4.002 -4.109 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -1.325 -3.775 -3.353 1.00 0.00 H new ATOM 0 HG LEU A 102 -3.634 -1.871 -2.914 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -4.050 -3.070 -0.804 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -4.334 -4.108 -2.221 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -2.843 -4.294 -1.267 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -2.360 -1.275 -0.888 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -1.087 -2.427 -1.356 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -1.412 -1.000 -2.369 1.00 0.00 H new ATOM 1468 N SER A 103 -1.747 -3.995 -6.639 1.00 0.00 N ATOM 1469 CA SER A 103 -1.142 -4.828 -7.672 1.00 0.00 C ATOM 1470 C SER A 103 -0.046 -4.065 -8.412 1.00 0.00 C ATOM 1471 O SER A 103 1.012 -4.616 -8.718 1.00 0.00 O ATOM 1472 CB SER A 103 -2.206 -5.301 -8.663 1.00 0.00 C ATOM 1473 OG SER A 103 -1.616 -5.959 -9.771 1.00 0.00 O ATOM 0 H SER A 103 -2.752 -4.125 -6.527 1.00 0.00 H new ATOM 0 HA SER A 103 -0.694 -5.696 -7.188 1.00 0.00 H new ATOM 0 HB2 SER A 103 -2.899 -5.977 -8.162 1.00 0.00 H new ATOM 0 HB3 SER A 103 -2.788 -4.448 -9.011 1.00 0.00 H new ATOM 0 HG SER A 103 -2.318 -6.253 -10.389 1.00 0.00 H new ATOM 1479 N HIS A 104 -0.308 -2.793 -8.696 1.00 0.00 N ATOM 1480 CA HIS A 104 0.655 -1.953 -9.400 1.00 0.00 C ATOM 1481 C HIS A 104 1.968 -1.869 -8.627 1.00 0.00 C ATOM 1482 O HIS A 104 3.049 -1.969 -9.207 1.00 0.00 O ATOM 1483 CB HIS A 104 0.083 -0.551 -9.611 1.00 0.00 C ATOM 1484 CG HIS A 104 -1.190 -0.537 -10.400 1.00 0.00 C ATOM 1485 ND1 HIS A 104 -1.609 0.553 -11.133 1.00 0.00 N ATOM 1486 CD2 HIS A 104 -2.138 -1.489 -10.568 1.00 0.00 C ATOM 1487 CE1 HIS A 104 -2.759 0.273 -11.718 1.00 0.00 C ATOM 1488 NE2 HIS A 104 -3.102 -0.960 -11.392 1.00 0.00 N ATOM 0 H HIS A 104 -1.178 -2.322 -8.450 1.00 0.00 H new ATOM 0 HA HIS A 104 0.853 -2.405 -10.372 1.00 0.00 H new ATOM 0 HB2 HIS A 104 -0.096 -0.090 -8.639 1.00 0.00 H new ATOM 0 HB3 HIS A 104 0.825 0.062 -10.123 1.00 0.00 H new ATOM 0 HD2 HIS A 104 -2.137 -2.479 -10.135 1.00 0.00 H new ATOM 0 HE1 HIS A 104 -3.323 0.939 -12.355 1.00 0.00 H new ATOM 0 HE2 HIS A 104 -3.946 -1.442 -11.702 1.00 0.00 H new ATOM 1497 N PHE A 105 1.866 -1.683 -7.315 1.00 0.00 N ATOM 1498 CA PHE A 105 3.046 -1.583 -6.464 1.00 0.00 C ATOM 1499 C PHE A 105 3.893 -2.849 -6.557 1.00 0.00 C ATOM 1500 O PHE A 105 5.109 -2.784 -6.741 1.00 0.00 O ATOM 1501 CB PHE A 105 2.632 -1.338 -5.011 1.00 0.00 C ATOM 1502 CG PHE A 105 2.161 0.063 -4.750 1.00 0.00 C ATOM 1503 CD1 PHE A 105 0.944 0.502 -5.247 1.00 0.00 C ATOM 1504 CD2 PHE A 105 2.934 0.942 -4.008 1.00 0.00 C ATOM 1505 CE1 PHE A 105 0.506 1.792 -5.008 1.00 0.00 C ATOM 1506 CE2 PHE A 105 2.502 2.232 -3.766 1.00 0.00 C ATOM 1507 CZ PHE A 105 1.288 2.658 -4.267 1.00 0.00 C ATOM 0 H PHE A 105 0.979 -1.599 -6.818 1.00 0.00 H new ATOM 0 HA PHE A 105 3.644 -0.741 -6.812 1.00 0.00 H new ATOM 0 HB2 PHE A 105 1.837 -2.035 -4.746 1.00 0.00 H new ATOM 0 HB3 PHE A 105 3.478 -1.556 -4.359 1.00 0.00 H new ATOM 0 HD1 PHE A 105 0.331 -0.171 -5.828 1.00 0.00 H new ATOM 0 HD2 PHE A 105 3.885 0.615 -3.614 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -0.445 2.122 -5.400 1.00 0.00 H new ATOM 0 HE2 PHE A 105 3.114 2.907 -3.185 1.00 0.00 H new ATOM 0 HZ PHE A 105 0.950 3.667 -4.080 1.00 0.00 H new ATOM 1517 N HIS A 106 3.241 -4.001 -6.427 1.00 0.00 N ATOM 1518 CA HIS A 106 3.934 -5.283 -6.497 1.00 0.00 C ATOM 1519 C HIS A 106 4.471 -5.535 -7.902 1.00 0.00 C ATOM 1520 O HIS A 106 5.680 -5.639 -8.106 1.00 0.00 O ATOM 1521 CB HIS A 106 2.994 -6.416 -6.086 1.00 0.00 C ATOM 1522 CG HIS A 106 3.672 -7.748 -5.985 1.00 0.00 C ATOM 1523 ND1 HIS A 106 3.110 -8.917 -6.454 1.00 0.00 N ATOM 1524 CD2 HIS A 106 4.873 -8.094 -5.465 1.00 0.00 C ATOM 1525 CE1 HIS A 106 3.934 -9.923 -6.227 1.00 0.00 C ATOM 1526 NE2 HIS A 106 5.013 -9.450 -5.628 1.00 0.00 N ATOM 0 H HIS A 106 2.235 -4.073 -6.273 1.00 0.00 H new ATOM 0 HA HIS A 106 4.777 -5.251 -5.807 1.00 0.00 H new ATOM 0 HB2 HIS A 106 2.543 -6.173 -5.124 1.00 0.00 H new ATOM 0 HB3 HIS A 106 2.182 -6.484 -6.810 1.00 0.00 H new ATOM 0 HD2 HIS A 106 5.588 -7.427 -5.007 1.00 0.00 H new ATOM 0 HE1 HIS A 106 3.757 -10.956 -6.486 1.00 0.00 H new ATOM 0 HE2 HIS A 106 5.819 -10.002 -5.335 1.00 0.00 H new ATOM 1535 N SER A 107 3.563 -5.631 -8.869 1.00 0.00 N ATOM 1536 CA SER A 107 3.945 -5.876 -10.255 1.00 0.00 C ATOM 1537 C SER A 107 5.226 -5.124 -10.606 1.00 0.00 C ATOM 1538 O SER A 107 5.986 -5.544 -11.477 1.00 0.00 O ATOM 1539 CB SER A 107 2.817 -5.455 -11.199 1.00 0.00 C ATOM 1540 OG SER A 107 2.899 -6.149 -12.432 1.00 0.00 O ATOM 0 H SER A 107 2.558 -5.543 -8.718 1.00 0.00 H new ATOM 0 HA SER A 107 4.128 -6.944 -10.373 1.00 0.00 H new ATOM 0 HB2 SER A 107 1.853 -5.653 -10.730 1.00 0.00 H new ATOM 0 HB3 SER A 107 2.870 -4.381 -11.378 1.00 0.00 H new ATOM 0 HG SER A 107 2.167 -5.864 -13.017 1.00 0.00 H new ATOM 1546 N ALA A 108 5.455 -4.009 -9.921 1.00 0.00 N ATOM 1547 CA ALA A 108 6.643 -3.197 -10.158 1.00 0.00 C ATOM 1548 C ALA A 108 7.732 -3.508 -9.138 1.00 0.00 C ATOM 1549 O ALA A 108 8.919 -3.528 -9.467 1.00 0.00 O ATOM 1550 CB ALA A 108 6.288 -1.718 -10.121 1.00 0.00 C ATOM 0 H ALA A 108 4.834 -3.647 -9.197 1.00 0.00 H new ATOM 0 HA ALA A 108 7.029 -3.441 -11.148 1.00 0.00 H new ATOM 0 HB1 ALA A 108 7.184 -1.124 -10.299 1.00 0.00 H new ATOM 0 HB2 ALA A 108 5.550 -1.502 -10.893 1.00 0.00 H new ATOM 0 HB3 ALA A 108 5.875 -1.467 -9.144 1.00 0.00 H new ATOM 1556 N PHE A 109 7.322 -3.748 -7.896 1.00 0.00 N ATOM 1557 CA PHE A 109 8.264 -4.055 -6.827 1.00 0.00 C ATOM 1558 C PHE A 109 8.133 -5.511 -6.388 1.00 0.00 C ATOM 1559 O PHE A 109 8.046 -5.808 -5.196 1.00 0.00 O ATOM 1560 CB PHE A 109 8.031 -3.129 -5.631 1.00 0.00 C ATOM 1561 CG PHE A 109 8.351 -1.690 -5.918 1.00 0.00 C ATOM 1562 CD1 PHE A 109 9.665 -1.273 -6.061 1.00 0.00 C ATOM 1563 CD2 PHE A 109 7.338 -0.753 -6.044 1.00 0.00 C ATOM 1564 CE1 PHE A 109 9.962 0.051 -6.324 1.00 0.00 C ATOM 1565 CE2 PHE A 109 7.630 0.572 -6.308 1.00 0.00 C ATOM 1566 CZ PHE A 109 8.942 0.975 -6.448 1.00 0.00 C ATOM 0 H PHE A 109 6.344 -3.736 -7.606 1.00 0.00 H new ATOM 0 HA PHE A 109 9.272 -3.897 -7.210 1.00 0.00 H new ATOM 0 HB2 PHE A 109 6.990 -3.206 -5.319 1.00 0.00 H new ATOM 0 HB3 PHE A 109 8.641 -3.469 -4.794 1.00 0.00 H new ATOM 0 HD1 PHE A 109 10.466 -1.991 -5.966 1.00 0.00 H new ATOM 0 HD2 PHE A 109 6.309 -1.061 -5.935 1.00 0.00 H new ATOM 0 HE1 PHE A 109 10.990 0.363 -6.432 1.00 0.00 H new ATOM 0 HE2 PHE A 109 6.831 1.292 -6.405 1.00 0.00 H new ATOM 0 HZ PHE A 109 9.171 2.010 -6.654 1.00 0.00 H new ATOM 1576 N LYS A 110 8.120 -6.417 -7.360 1.00 0.00 N ATOM 1577 CA LYS A 110 8.000 -7.842 -7.079 1.00 0.00 C ATOM 1578 C LYS A 110 9.284 -8.580 -7.449 1.00 0.00 C ATOM 1579 O LYS A 110 9.857 -8.351 -8.514 1.00 0.00 O ATOM 1580 CB LYS A 110 6.818 -8.438 -7.846 1.00 0.00 C ATOM 1581 CG LYS A 110 7.069 -8.577 -9.337 1.00 0.00 C ATOM 1582 CD LYS A 110 5.932 -9.312 -10.028 1.00 0.00 C ATOM 1583 CE LYS A 110 6.211 -9.501 -11.511 1.00 0.00 C ATOM 1584 NZ LYS A 110 6.180 -8.210 -12.250 1.00 0.00 N ATOM 0 H LYS A 110 8.191 -6.188 -8.351 1.00 0.00 H new ATOM 0 HA LYS A 110 7.828 -7.962 -6.009 1.00 0.00 H new ATOM 0 HB2 LYS A 110 6.585 -9.419 -7.432 1.00 0.00 H new ATOM 0 HB3 LYS A 110 5.941 -7.810 -7.691 1.00 0.00 H new ATOM 0 HG2 LYS A 110 7.187 -7.588 -9.781 1.00 0.00 H new ATOM 0 HG3 LYS A 110 8.003 -9.114 -9.501 1.00 0.00 H new ATOM 0 HD2 LYS A 110 5.786 -10.284 -9.557 1.00 0.00 H new ATOM 0 HD3 LYS A 110 5.005 -8.754 -9.899 1.00 0.00 H new ATOM 0 HE2 LYS A 110 7.186 -9.970 -11.640 1.00 0.00 H new ATOM 0 HE3 LYS A 110 5.472 -10.180 -11.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 5.389 -8.215 -12.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 6.055 -7.427 -11.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 7.074 -8.084 -12.766 1.00 0.00 H new