USER MOD reduce.3.24.130724 H: found=0, std=0, add=615, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 613 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 34 CYS SG : rot 56:sc= 0.483 USER MOD Set 1.2: A 69 MET CE :methyl -169:sc= -0.0605 (180deg=-0.477) USER MOD Set 2.1: A 29 ASN : amide:sc= 0.953 K(o=-1.4,f=-3.1) USER MOD Set 2.2: A 78 MET CE :methyl 169:sc= -2.4 (180deg=-3.15!) USER MOD Single : A 14 LYS NZ :NH3+ -178:sc= 0.966 (180deg=0.942) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 CYS SG : rot 180:sc= -0.74 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -0.412 X(o=-0.41,f=-0.052) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 HIS : no HE2:sc= 0.451 K(o=0.45,f=-1.6!) USER MOD Single : A 44 HIS : no HE2:sc= -0.0876 X(o=-0.088,f=-0.43) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ -134:sc= -0.431 (180deg=-2.16!) USER MOD Single : A 72 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.144) USER MOD Single : A 73 LYS NZ :NH3+ -140:sc= 1.26 (180deg=0.841) USER MOD Single : A 77 SER OG : rot 180:sc= -0.0911 USER MOD Single : A 80 HIS : no HD1:sc= -0.0576 X(o=-0.058,f=-0.058) USER MOD Single : A 82 TYR OH : rot -80:sc= 0.0901 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 SER OG : rot 180:sc= 0.146 USER MOD Single : A 89 HIS : no HD1:sc= -0.6 K(o=-0.6,f=-1.3) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 MET CE :methyl -160:sc= -0.158 (180deg=-0.812) USER MOD Single : A 98 LYS NZ :NH3+ 173:sc= 1.24 (180deg=1.12) USER MOD ----------------------------------------------------------------- ATOM 126 N PHE A 11 -12.366 -3.895 2.176 1.00 0.00 N ATOM 127 CA PHE A 11 -12.270 -3.364 0.823 1.00 0.00 C ATOM 128 C PHE A 11 -11.072 -2.423 0.739 1.00 0.00 C ATOM 129 O PHE A 11 -11.155 -1.332 0.179 1.00 0.00 O ATOM 130 CB PHE A 11 -13.569 -2.658 0.436 1.00 0.00 C ATOM 131 CG PHE A 11 -14.830 -3.456 0.692 1.00 0.00 C ATOM 132 CD1 PHE A 11 -14.800 -4.858 0.708 1.00 0.00 C ATOM 133 CD2 PHE A 11 -16.040 -2.782 0.915 1.00 0.00 C ATOM 134 CE1 PHE A 11 -15.974 -5.582 0.952 1.00 0.00 C ATOM 135 CE2 PHE A 11 -17.214 -3.506 1.159 1.00 0.00 C ATOM 136 CZ PHE A 11 -17.181 -4.907 1.180 1.00 0.00 C ATOM 0 HA PHE A 11 -12.121 -4.179 0.115 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -13.633 -1.719 0.986 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -13.526 -2.404 -0.623 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -13.871 -5.380 0.532 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -16.066 -1.702 0.899 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -15.949 -6.662 0.964 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -18.144 -2.985 1.331 1.00 0.00 H new ATOM 0 HZ PHE A 11 -18.085 -5.466 1.372 1.00 0.00 H new ATOM 146 N VAL A 12 -9.953 -2.863 1.312 1.00 0.00 N ATOM 147 CA VAL A 12 -8.720 -2.096 1.374 1.00 0.00 C ATOM 148 C VAL A 12 -7.588 -3.011 0.934 1.00 0.00 C ATOM 149 O VAL A 12 -7.655 -4.222 1.139 1.00 0.00 O ATOM 150 CB VAL A 12 -8.499 -1.598 2.810 1.00 0.00 C ATOM 151 CG1 VAL A 12 -7.181 -0.834 2.947 1.00 0.00 C ATOM 152 CG2 VAL A 12 -9.633 -0.670 3.241 1.00 0.00 C ATOM 0 H VAL A 12 -9.881 -3.780 1.753 1.00 0.00 H new ATOM 0 HA VAL A 12 -8.763 -1.224 0.721 1.00 0.00 H new ATOM 0 HB VAL A 12 -8.471 -2.483 3.446 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -7.061 -0.498 3.977 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -6.351 -1.489 2.680 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -7.190 0.030 2.282 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -9.456 -0.329 4.261 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -9.673 0.190 2.573 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -10.580 -1.208 3.197 1.00 0.00 H new ATOM 162 N VAL A 13 -6.545 -2.436 0.332 1.00 0.00 N ATOM 163 CA VAL A 13 -5.394 -3.214 -0.099 1.00 0.00 C ATOM 164 C VAL A 13 -4.095 -2.476 0.187 1.00 0.00 C ATOM 165 O VAL A 13 -4.072 -1.256 0.340 1.00 0.00 O ATOM 166 CB VAL A 13 -5.484 -3.547 -1.594 1.00 0.00 C ATOM 167 CG1 VAL A 13 -6.681 -4.452 -1.873 1.00 0.00 C ATOM 168 CG2 VAL A 13 -5.592 -2.284 -2.450 1.00 0.00 C ATOM 0 H VAL A 13 -6.479 -1.437 0.135 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.399 -4.144 0.469 1.00 0.00 H new ATOM 0 HB VAL A 13 -4.564 -4.067 -1.862 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -6.727 -4.676 -2.939 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -6.574 -5.380 -1.311 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -7.598 -3.947 -1.569 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -5.654 -2.562 -3.502 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -6.487 -1.729 -2.168 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -4.713 -1.660 -2.290 1.00 0.00 H new ATOM 178 N LYS A 14 -3.009 -3.244 0.256 1.00 0.00 N ATOM 179 CA LYS A 14 -1.666 -2.723 0.446 1.00 0.00 C ATOM 180 C LYS A 14 -1.058 -2.458 -0.925 1.00 0.00 C ATOM 181 O LYS A 14 -1.484 -3.063 -1.906 1.00 0.00 O ATOM 182 CB LYS A 14 -0.818 -3.756 1.194 1.00 0.00 C ATOM 183 CG LYS A 14 -1.615 -4.460 2.295 1.00 0.00 C ATOM 184 CD LYS A 14 -0.700 -5.377 3.103 1.00 0.00 C ATOM 185 CE LYS A 14 -1.536 -6.292 3.991 1.00 0.00 C ATOM 186 NZ LYS A 14 -0.676 -7.081 4.888 1.00 0.00 N ATOM 0 H LYS A 14 -3.043 -4.261 0.180 1.00 0.00 H new ATOM 0 HA LYS A 14 -1.697 -1.802 1.028 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -0.442 -4.497 0.488 1.00 0.00 H new ATOM 0 HB3 LYS A 14 0.050 -3.264 1.632 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -2.073 -3.721 2.952 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -2.425 -5.040 1.853 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -0.082 -5.973 2.431 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -0.022 -4.782 3.715 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -2.233 -5.696 4.580 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -2.133 -6.961 3.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -1.264 -7.721 5.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -0.005 -7.640 4.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -0.150 -6.441 5.517 1.00 0.00 H new ATOM 200 N LEU A 15 -0.071 -1.565 -1.006 1.00 0.00 N ATOM 201 CA LEU A 15 0.614 -1.279 -2.249 1.00 0.00 C ATOM 202 C LEU A 15 2.099 -1.065 -1.980 1.00 0.00 C ATOM 203 O LEU A 15 2.470 -0.511 -0.947 1.00 0.00 O ATOM 204 CB LEU A 15 -0.013 -0.029 -2.849 1.00 0.00 C ATOM 205 CG LEU A 15 0.067 -0.105 -4.369 1.00 0.00 C ATOM 206 CD1 LEU A 15 -1.034 -1.006 -4.921 1.00 0.00 C ATOM 207 CD2 LEU A 15 -0.125 1.294 -4.910 1.00 0.00 C ATOM 0 H LEU A 15 0.269 -1.026 -0.210 1.00 0.00 H new ATOM 0 HA LEU A 15 0.517 -2.111 -2.946 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -1.052 0.058 -2.532 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.506 0.860 -2.490 1.00 0.00 H new ATOM 0 HG LEU A 15 1.031 -0.517 -4.666 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.960 -1.047 -6.008 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.922 -2.010 -4.511 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.008 -0.605 -4.639 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.073 1.273 -5.999 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.099 1.673 -4.600 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.658 1.945 -4.522 1.00 0.00 H new ATOM 219 N ARG A 16 2.951 -1.506 -2.909 1.00 0.00 N ATOM 220 CA ARG A 16 4.399 -1.380 -2.777 1.00 0.00 C ATOM 221 C ARG A 16 5.020 -1.242 -4.162 1.00 0.00 C ATOM 222 O ARG A 16 4.380 -1.570 -5.162 1.00 0.00 O ATOM 223 CB ARG A 16 4.992 -2.623 -2.094 1.00 0.00 C ATOM 224 CG ARG A 16 4.290 -3.019 -0.794 1.00 0.00 C ATOM 225 CD ARG A 16 4.922 -4.288 -0.221 1.00 0.00 C ATOM 226 NE ARG A 16 6.270 -4.054 0.309 1.00 0.00 N ATOM 227 CZ ARG A 16 7.389 -4.631 -0.147 1.00 0.00 C ATOM 228 NH1 ARG A 16 7.374 -5.475 -1.176 1.00 0.00 N ATOM 229 NH2 ARG A 16 8.551 -4.358 0.442 1.00 0.00 N ATOM 0 H ARG A 16 2.653 -1.960 -3.773 1.00 0.00 H new ATOM 0 HA ARG A 16 4.616 -0.501 -2.171 1.00 0.00 H new ATOM 0 HB2 ARG A 16 4.946 -3.462 -2.788 1.00 0.00 H new ATOM 0 HB3 ARG A 16 6.046 -2.440 -1.884 1.00 0.00 H new ATOM 0 HG2 ARG A 16 4.364 -2.208 -0.070 1.00 0.00 H new ATOM 0 HG3 ARG A 16 3.229 -3.184 -0.980 1.00 0.00 H new ATOM 0 HD2 ARG A 16 4.286 -4.680 0.573 1.00 0.00 H new ATOM 0 HD3 ARG A 16 4.968 -5.050 -0.999 1.00 0.00 H new ATOM 0 HE ARG A 16 6.362 -3.400 1.086 1.00 0.00 H new ATOM 0 HH11 ARG A 16 6.493 -5.698 -1.640 1.00 0.00 H new ATOM 0 HH12 ARG A 16 8.243 -5.899 -1.501 1.00 0.00 H new ATOM 0 HH21 ARG A 16 8.583 -3.715 1.233 1.00 0.00 H new ATOM 0 HH22 ARG A 16 9.409 -4.792 0.103 1.00 0.00 H new ATOM 243 N GLY A 17 6.262 -0.763 -4.228 1.00 0.00 N ATOM 244 CA GLY A 17 6.996 -0.728 -5.483 1.00 0.00 C ATOM 245 C GLY A 17 7.321 0.691 -5.928 1.00 0.00 C ATOM 246 O GLY A 17 7.208 1.630 -5.141 1.00 0.00 O ATOM 0 H GLY A 17 6.776 -0.396 -3.427 1.00 0.00 H new ATOM 0 HA2 GLY A 17 7.922 -1.293 -5.375 1.00 0.00 H new ATOM 0 HA3 GLY A 17 6.410 -1.223 -6.257 1.00 0.00 H new ATOM 250 N LEU A 18 7.723 0.827 -7.199 1.00 0.00 N ATOM 251 CA LEU A 18 8.117 2.099 -7.801 1.00 0.00 C ATOM 252 C LEU A 18 9.341 2.697 -7.097 1.00 0.00 C ATOM 253 O LEU A 18 9.768 2.158 -6.078 1.00 0.00 O ATOM 254 CB LEU A 18 6.898 3.035 -7.808 1.00 0.00 C ATOM 255 CG LEU A 18 5.754 2.452 -8.635 1.00 0.00 C ATOM 256 CD1 LEU A 18 4.631 3.478 -8.728 1.00 0.00 C ATOM 257 CD2 LEU A 18 6.250 2.105 -10.035 1.00 0.00 C ATOM 0 H LEU A 18 7.783 0.040 -7.845 1.00 0.00 H new ATOM 0 HA LEU A 18 8.432 1.946 -8.833 1.00 0.00 H new ATOM 0 HB2 LEU A 18 6.561 3.204 -6.785 1.00 0.00 H new ATOM 0 HB3 LEU A 18 7.185 4.005 -8.213 1.00 0.00 H new ATOM 0 HG LEU A 18 5.384 1.545 -8.156 1.00 0.00 H new ATOM 0 HD11 LEU A 18 3.811 3.068 -9.317 1.00 0.00 H new ATOM 0 HD12 LEU A 18 4.273 3.718 -7.727 1.00 0.00 H new ATOM 0 HD13 LEU A 18 5.004 4.383 -9.207 1.00 0.00 H new ATOM 0 HD21 LEU A 18 5.429 1.690 -10.619 1.00 0.00 H new ATOM 0 HD22 LEU A 18 6.623 3.006 -10.522 1.00 0.00 H new ATOM 0 HD23 LEU A 18 7.053 1.371 -9.965 1.00 0.00 H new ATOM 269 N PRO A 19 9.918 3.798 -7.615 1.00 0.00 N ATOM 270 CA PRO A 19 11.016 4.524 -6.990 1.00 0.00 C ATOM 271 C PRO A 19 10.809 4.790 -5.501 1.00 0.00 C ATOM 272 O PRO A 19 9.748 4.509 -4.947 1.00 0.00 O ATOM 273 CB PRO A 19 11.158 5.819 -7.787 1.00 0.00 C ATOM 274 CG PRO A 19 10.710 5.393 -9.181 1.00 0.00 C ATOM 275 CD PRO A 19 9.560 4.441 -8.867 1.00 0.00 C ATOM 0 HA PRO A 19 11.926 3.925 -7.018 1.00 0.00 H new ATOM 0 HB2 PRO A 19 10.532 6.615 -7.384 1.00 0.00 H new ATOM 0 HB3 PRO A 19 12.184 6.188 -7.784 1.00 0.00 H new ATOM 0 HG2 PRO A 19 10.384 6.242 -9.782 1.00 0.00 H new ATOM 0 HG3 PRO A 19 11.509 4.899 -9.733 1.00 0.00 H new ATOM 0 HD2 PRO A 19 8.618 4.981 -8.775 1.00 0.00 H new ATOM 0 HD3 PRO A 19 9.430 3.707 -9.662 1.00 0.00 H new ATOM 283 N TRP A 20 11.834 5.340 -4.845 1.00 0.00 N ATOM 284 CA TRP A 20 11.798 5.587 -3.410 1.00 0.00 C ATOM 285 C TRP A 20 10.644 6.516 -2.993 1.00 0.00 C ATOM 286 O TRP A 20 10.476 6.779 -1.803 1.00 0.00 O ATOM 287 CB TRP A 20 13.121 6.201 -2.949 1.00 0.00 C ATOM 288 CG TRP A 20 14.405 5.489 -3.269 1.00 0.00 C ATOM 289 CD1 TRP A 20 15.480 6.097 -3.818 1.00 0.00 C ATOM 290 CD2 TRP A 20 14.804 4.090 -3.079 1.00 0.00 C ATOM 291 NE1 TRP A 20 16.515 5.200 -3.954 1.00 0.00 N ATOM 292 CE2 TRP A 20 16.168 3.956 -3.474 1.00 0.00 C ATOM 293 CE3 TRP A 20 14.178 2.926 -2.589 1.00 0.00 C ATOM 294 CZ2 TRP A 20 16.880 2.760 -3.335 1.00 0.00 C ATOM 295 CZ3 TRP A 20 14.888 1.721 -2.451 1.00 0.00 C ATOM 296 CH2 TRP A 20 16.237 1.648 -2.798 1.00 0.00 C ATOM 0 H TRP A 20 12.705 5.623 -5.294 1.00 0.00 H new ATOM 0 HA TRP A 20 11.636 4.621 -2.932 1.00 0.00 H new ATOM 0 HB2 TRP A 20 13.185 7.202 -3.375 1.00 0.00 H new ATOM 0 HB3 TRP A 20 13.070 6.317 -1.866 1.00 0.00 H new ATOM 0 HD1 TRP A 20 15.521 7.137 -4.108 1.00 0.00 H new ATOM 0 HE1 TRP A 20 17.423 5.427 -4.359 1.00 0.00 H new ATOM 0 HE3 TRP A 20 13.134 2.961 -2.315 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 17.914 2.700 -3.640 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 14.385 0.844 -2.073 1.00 0.00 H new ATOM 0 HH2 TRP A 20 16.783 0.728 -2.650 1.00 0.00 H new ATOM 307 N SER A 21 9.852 7.012 -3.952 1.00 0.00 N ATOM 308 CA SER A 21 8.691 7.859 -3.705 1.00 0.00 C ATOM 309 C SER A 21 7.627 7.609 -4.777 1.00 0.00 C ATOM 310 O SER A 21 7.909 6.994 -5.804 1.00 0.00 O ATOM 311 CB SER A 21 9.118 9.327 -3.704 1.00 0.00 C ATOM 312 OG SER A 21 9.672 9.674 -4.957 1.00 0.00 O ATOM 0 H SER A 21 10.009 6.828 -4.943 1.00 0.00 H new ATOM 0 HA SER A 21 8.265 7.617 -2.731 1.00 0.00 H new ATOM 0 HB2 SER A 21 8.259 9.963 -3.489 1.00 0.00 H new ATOM 0 HB3 SER A 21 9.849 9.500 -2.914 1.00 0.00 H new ATOM 0 HG SER A 21 9.941 10.616 -4.946 1.00 0.00 H new ATOM 318 N CYS A 22 6.398 8.087 -4.541 1.00 0.00 N ATOM 319 CA CYS A 22 5.275 7.854 -5.445 1.00 0.00 C ATOM 320 C CYS A 22 4.201 8.934 -5.259 1.00 0.00 C ATOM 321 O CYS A 22 4.336 9.795 -4.391 1.00 0.00 O ATOM 322 CB CYS A 22 4.713 6.462 -5.142 1.00 0.00 C ATOM 323 SG CYS A 22 3.516 5.965 -6.410 1.00 0.00 S ATOM 0 H CYS A 22 6.160 8.643 -3.720 1.00 0.00 H new ATOM 0 HA CYS A 22 5.605 7.904 -6.483 1.00 0.00 H new ATOM 0 HB2 CYS A 22 5.526 5.738 -5.098 1.00 0.00 H new ATOM 0 HB3 CYS A 22 4.234 6.463 -4.163 1.00 0.00 H new ATOM 0 HG CYS A 22 3.056 4.781 -6.132 1.00 0.00 H new ATOM 329 N SER A 23 3.137 8.888 -6.071 1.00 0.00 N ATOM 330 CA SER A 23 2.040 9.846 -6.012 1.00 0.00 C ATOM 331 C SER A 23 0.701 9.152 -6.259 1.00 0.00 C ATOM 332 O SER A 23 0.642 8.067 -6.837 1.00 0.00 O ATOM 333 CB SER A 23 2.247 10.950 -7.051 1.00 0.00 C ATOM 334 OG SER A 23 3.478 11.609 -6.831 1.00 0.00 O ATOM 0 H SER A 23 3.018 8.176 -6.792 1.00 0.00 H new ATOM 0 HA SER A 23 2.027 10.287 -5.015 1.00 0.00 H new ATOM 0 HB2 SER A 23 2.230 10.522 -8.054 1.00 0.00 H new ATOM 0 HB3 SER A 23 1.428 11.668 -6.997 1.00 0.00 H new ATOM 0 HG SER A 23 3.598 12.311 -7.504 1.00 0.00 H new ATOM 340 N VAL A 24 -0.384 9.791 -5.810 1.00 0.00 N ATOM 341 CA VAL A 24 -1.722 9.209 -5.828 1.00 0.00 C ATOM 342 C VAL A 24 -2.270 9.036 -7.245 1.00 0.00 C ATOM 343 O VAL A 24 -3.197 8.256 -7.445 1.00 0.00 O ATOM 344 CB VAL A 24 -2.690 10.038 -4.966 1.00 0.00 C ATOM 345 CG1 VAL A 24 -1.980 11.074 -4.092 1.00 0.00 C ATOM 346 CG2 VAL A 24 -3.739 10.787 -5.781 1.00 0.00 C ATOM 0 H VAL A 24 -0.354 10.734 -5.422 1.00 0.00 H new ATOM 0 HA VAL A 24 -1.637 8.211 -5.399 1.00 0.00 H new ATOM 0 HB VAL A 24 -3.174 9.287 -4.341 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -2.718 11.625 -3.509 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -1.289 10.569 -3.418 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -1.427 11.767 -4.726 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -4.387 11.350 -5.110 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -3.244 11.473 -6.468 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -4.336 10.074 -6.349 1.00 0.00 H new ATOM 356 N GLU A 25 -1.717 9.748 -8.231 1.00 0.00 N ATOM 357 CA GLU A 25 -2.208 9.661 -9.597 1.00 0.00 C ATOM 358 C GLU A 25 -1.658 8.430 -10.310 1.00 0.00 C ATOM 359 O GLU A 25 -2.290 7.930 -11.238 1.00 0.00 O ATOM 360 CB GLU A 25 -1.804 10.915 -10.367 1.00 0.00 C ATOM 361 CG GLU A 25 -2.448 12.159 -9.753 1.00 0.00 C ATOM 362 CD GLU A 25 -2.102 13.409 -10.561 1.00 0.00 C ATOM 363 OE1 GLU A 25 -1.055 14.022 -10.255 1.00 0.00 O ATOM 364 OE2 GLU A 25 -2.885 13.741 -11.480 1.00 0.00 O ATOM 0 H GLU A 25 -0.932 10.387 -8.103 1.00 0.00 H new ATOM 0 HA GLU A 25 -3.294 9.577 -9.560 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -0.719 11.019 -10.358 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -2.106 10.820 -11.410 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -3.530 12.033 -9.717 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -2.107 12.280 -8.725 1.00 0.00 H new ATOM 371 N ASP A 26 -0.492 7.935 -9.890 1.00 0.00 N ATOM 372 CA ASP A 26 0.093 6.758 -10.508 1.00 0.00 C ATOM 373 C ASP A 26 -0.560 5.500 -9.943 1.00 0.00 C ATOM 374 O ASP A 26 -0.811 4.546 -10.677 1.00 0.00 O ATOM 375 CB ASP A 26 1.598 6.737 -10.234 1.00 0.00 C ATOM 376 CG ASP A 26 2.288 7.948 -10.857 1.00 0.00 C ATOM 377 OD1 ASP A 26 2.430 7.954 -12.100 1.00 0.00 O ATOM 378 OD2 ASP A 26 2.666 8.855 -10.084 1.00 0.00 O ATOM 0 H ASP A 26 0.058 8.333 -9.129 1.00 0.00 H new ATOM 0 HA ASP A 26 -0.076 6.789 -11.584 1.00 0.00 H new ATOM 0 HB2 ASP A 26 1.775 6.728 -9.158 1.00 0.00 H new ATOM 0 HB3 ASP A 26 2.031 5.821 -10.636 1.00 0.00 H new ATOM 383 N VAL A 27 -0.838 5.494 -8.636 1.00 0.00 N ATOM 384 CA VAL A 27 -1.453 4.354 -7.977 1.00 0.00 C ATOM 385 C VAL A 27 -2.890 4.134 -8.449 1.00 0.00 C ATOM 386 O VAL A 27 -3.338 2.992 -8.512 1.00 0.00 O ATOM 387 CB VAL A 27 -1.385 4.551 -6.458 1.00 0.00 C ATOM 388 CG1 VAL A 27 0.072 4.559 -5.999 1.00 0.00 C ATOM 389 CG2 VAL A 27 -2.040 5.856 -6.034 1.00 0.00 C ATOM 0 H VAL A 27 -0.642 6.278 -8.014 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.900 3.454 -8.244 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.924 3.724 -5.995 1.00 0.00 H new ATOM 0 HG11 VAL A 27 0.112 4.699 -4.919 1.00 0.00 H new ATOM 0 HG12 VAL A 27 0.541 3.610 -6.259 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.604 5.373 -6.491 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.973 5.962 -4.951 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.529 6.692 -6.513 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -3.088 5.851 -6.334 1.00 0.00 H new ATOM 399 N GLN A 28 -3.628 5.202 -8.785 1.00 0.00 N ATOM 400 CA GLN A 28 -4.980 5.037 -9.304 1.00 0.00 C ATOM 401 C GLN A 28 -4.963 4.681 -10.791 1.00 0.00 C ATOM 402 O GLN A 28 -5.901 4.058 -11.282 1.00 0.00 O ATOM 403 CB GLN A 28 -5.803 6.303 -9.052 1.00 0.00 C ATOM 404 CG GLN A 28 -5.250 7.519 -9.787 1.00 0.00 C ATOM 405 CD GLN A 28 -6.043 8.770 -9.434 1.00 0.00 C ATOM 406 OE1 GLN A 28 -6.917 9.196 -10.185 1.00 0.00 O ATOM 407 NE2 GLN A 28 -5.743 9.371 -8.285 1.00 0.00 N ATOM 0 H GLN A 28 -3.313 6.169 -8.706 1.00 0.00 H new ATOM 0 HA GLN A 28 -5.450 4.208 -8.775 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -6.833 6.131 -9.366 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -5.826 6.510 -7.982 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -4.201 7.662 -9.526 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -5.290 7.349 -10.863 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -5.011 8.989 -7.686 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -6.245 10.213 -8.004 1.00 0.00 H new ATOM 416 N ASN A 29 -3.905 5.071 -11.512 1.00 0.00 N ATOM 417 CA ASN A 29 -3.737 4.694 -12.909 1.00 0.00 C ATOM 418 C ASN A 29 -3.462 3.193 -13.039 1.00 0.00 C ATOM 419 O ASN A 29 -3.748 2.598 -14.077 1.00 0.00 O ATOM 420 CB ASN A 29 -2.592 5.524 -13.506 1.00 0.00 C ATOM 421 CG ASN A 29 -1.558 4.675 -14.235 1.00 0.00 C ATOM 422 OD1 ASN A 29 -1.612 4.517 -15.452 1.00 0.00 O ATOM 423 ND2 ASN A 29 -0.606 4.125 -13.487 1.00 0.00 N ATOM 0 H ASN A 29 -3.152 5.651 -11.143 1.00 0.00 H new ATOM 0 HA ASN A 29 -4.655 4.899 -13.459 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -3.005 6.257 -14.198 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -2.100 6.081 -12.708 1.00 0.00 H new ATOM 0 HD21 ASN A 29 0.114 3.548 -13.921 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -0.596 4.280 -12.479 1.00 0.00 H new ATOM 430 N PHE A 30 -2.908 2.583 -11.988 1.00 0.00 N ATOM 431 CA PHE A 30 -2.522 1.181 -12.002 1.00 0.00 C ATOM 432 C PHE A 30 -3.670 0.270 -11.571 1.00 0.00 C ATOM 433 O PHE A 30 -3.769 -0.862 -12.043 1.00 0.00 O ATOM 434 CB PHE A 30 -1.321 1.040 -11.071 1.00 0.00 C ATOM 435 CG PHE A 30 -0.911 -0.377 -10.762 1.00 0.00 C ATOM 436 CD1 PHE A 30 -0.489 -1.236 -11.787 1.00 0.00 C ATOM 437 CD2 PHE A 30 -0.954 -0.829 -9.438 1.00 0.00 C ATOM 438 CE1 PHE A 30 -0.099 -2.547 -11.480 1.00 0.00 C ATOM 439 CE2 PHE A 30 -0.569 -2.139 -9.132 1.00 0.00 C ATOM 440 CZ PHE A 30 -0.134 -2.995 -10.153 1.00 0.00 C ATOM 0 H PHE A 30 -2.717 3.054 -11.104 1.00 0.00 H new ATOM 0 HA PHE A 30 -2.264 0.872 -13.015 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -0.472 1.557 -11.518 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -1.547 1.549 -10.134 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -0.465 -0.889 -12.809 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -1.285 -0.166 -8.652 1.00 0.00 H new ATOM 0 HE1 PHE A 30 0.228 -3.211 -12.266 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -0.607 -2.490 -8.111 1.00 0.00 H new ATOM 0 HZ PHE A 30 0.175 -4.002 -9.916 1.00 0.00 H new ATOM 450 N LEU A 31 -4.541 0.748 -10.680 1.00 0.00 N ATOM 451 CA LEU A 31 -5.732 0.014 -10.272 1.00 0.00 C ATOM 452 C LEU A 31 -6.888 0.410 -11.188 1.00 0.00 C ATOM 453 O LEU A 31 -7.894 0.958 -10.742 1.00 0.00 O ATOM 454 CB LEU A 31 -6.057 0.280 -8.798 1.00 0.00 C ATOM 455 CG LEU A 31 -5.303 -0.651 -7.840 1.00 0.00 C ATOM 456 CD1 LEU A 31 -3.802 -0.691 -8.101 1.00 0.00 C ATOM 457 CD2 LEU A 31 -5.539 -0.183 -6.407 1.00 0.00 C ATOM 0 H LEU A 31 -4.437 1.654 -10.224 1.00 0.00 H new ATOM 0 HA LEU A 31 -5.558 -1.058 -10.366 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.811 1.315 -8.559 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -7.129 0.162 -8.641 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.687 -1.658 -8.003 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.327 -1.367 -7.390 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.618 -1.044 -9.116 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.386 0.309 -7.984 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.007 -0.839 -5.718 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.173 0.837 -6.293 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -6.606 -0.213 -6.186 1.00 0.00 H new ATOM 469 N SER A 32 -6.741 0.130 -12.484 1.00 0.00 N ATOM 470 CA SER A 32 -7.781 0.400 -13.460 1.00 0.00 C ATOM 471 C SER A 32 -9.092 -0.261 -13.037 1.00 0.00 C ATOM 472 O SER A 32 -9.090 -1.278 -12.343 1.00 0.00 O ATOM 473 CB SER A 32 -7.329 -0.095 -14.833 1.00 0.00 C ATOM 474 OG SER A 32 -8.269 0.289 -15.814 1.00 0.00 O ATOM 0 H SER A 32 -5.899 -0.289 -12.879 1.00 0.00 H new ATOM 0 HA SER A 32 -7.957 1.474 -13.518 1.00 0.00 H new ATOM 0 HB2 SER A 32 -6.349 0.318 -15.074 1.00 0.00 H new ATOM 0 HB3 SER A 32 -7.224 -1.180 -14.822 1.00 0.00 H new ATOM 0 HG SER A 32 -7.974 -0.029 -16.693 1.00 0.00 H new ATOM 480 N ASP A 33 -10.204 0.338 -13.469 1.00 0.00 N ATOM 481 CA ASP A 33 -11.572 -0.053 -13.145 1.00 0.00 C ATOM 482 C ASP A 33 -11.893 -0.051 -11.644 1.00 0.00 C ATOM 483 O ASP A 33 -13.049 -0.263 -11.278 1.00 0.00 O ATOM 484 CB ASP A 33 -11.901 -1.407 -13.783 1.00 0.00 C ATOM 485 CG ASP A 33 -11.733 -1.375 -15.300 1.00 0.00 C ATOM 486 OD1 ASP A 33 -12.411 -0.540 -15.939 1.00 0.00 O ATOM 487 OD2 ASP A 33 -10.929 -2.188 -15.810 1.00 0.00 O ATOM 0 H ASP A 33 -10.170 1.150 -14.085 1.00 0.00 H new ATOM 0 HA ASP A 33 -12.216 0.717 -13.571 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -11.252 -2.175 -13.362 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -12.926 -1.685 -13.537 1.00 0.00 H new ATOM 492 N CYS A 34 -10.909 0.181 -10.769 1.00 0.00 N ATOM 493 CA CYS A 34 -11.143 0.239 -9.334 1.00 0.00 C ATOM 494 C CYS A 34 -11.584 1.642 -8.922 1.00 0.00 C ATOM 495 O CYS A 34 -11.776 2.522 -9.762 1.00 0.00 O ATOM 496 CB CYS A 34 -9.857 -0.142 -8.598 1.00 0.00 C ATOM 497 SG CYS A 34 -9.331 -1.799 -9.110 1.00 0.00 S ATOM 0 H CYS A 34 -9.937 0.332 -11.039 1.00 0.00 H new ATOM 0 HA CYS A 34 -11.936 -0.462 -9.072 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -9.073 0.583 -8.816 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -10.022 -0.119 -7.521 1.00 0.00 H new ATOM 0 HG CYS A 34 -9.192 -1.830 -10.402 1.00 0.00 H new ATOM 503 N THR A 35 -11.742 1.838 -7.613 1.00 0.00 N ATOM 504 CA THR A 35 -12.083 3.117 -7.012 1.00 0.00 C ATOM 505 C THR A 35 -11.211 3.271 -5.771 1.00 0.00 C ATOM 506 O THR A 35 -10.843 2.273 -5.159 1.00 0.00 O ATOM 507 CB THR A 35 -13.574 3.126 -6.662 1.00 0.00 C ATOM 508 OG1 THR A 35 -14.344 3.011 -7.838 1.00 0.00 O ATOM 509 CG2 THR A 35 -13.972 4.412 -5.945 1.00 0.00 C ATOM 0 H THR A 35 -11.633 1.090 -6.928 1.00 0.00 H new ATOM 0 HA THR A 35 -11.903 3.951 -7.691 1.00 0.00 H new ATOM 0 HB THR A 35 -13.760 2.281 -6.000 1.00 0.00 H new ATOM 0 HG1 THR A 35 -15.296 3.016 -7.607 1.00 0.00 H new ATOM 0 HG21 THR A 35 -15.036 4.384 -5.712 1.00 0.00 H new ATOM 0 HG22 THR A 35 -13.401 4.506 -5.022 1.00 0.00 H new ATOM 0 HG23 THR A 35 -13.764 5.267 -6.589 1.00 0.00 H new ATOM 517 N ILE A 36 -10.879 4.509 -5.395 1.00 0.00 N ATOM 518 CA ILE A 36 -9.940 4.773 -4.312 1.00 0.00 C ATOM 519 C ILE A 36 -10.677 5.422 -3.140 1.00 0.00 C ATOM 520 O ILE A 36 -10.187 6.360 -2.519 1.00 0.00 O ATOM 521 CB ILE A 36 -8.719 5.561 -4.826 1.00 0.00 C ATOM 522 CG1 ILE A 36 -8.025 4.811 -5.973 1.00 0.00 C ATOM 523 CG2 ILE A 36 -7.671 5.733 -3.723 1.00 0.00 C ATOM 524 CD1 ILE A 36 -8.570 5.218 -7.341 1.00 0.00 C ATOM 0 H ILE A 36 -11.254 5.350 -5.833 1.00 0.00 H new ATOM 0 HA ILE A 36 -9.527 3.840 -3.929 1.00 0.00 H new ATOM 0 HB ILE A 36 -9.094 6.528 -5.161 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -6.953 5.007 -5.938 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -8.157 3.738 -5.836 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -6.821 6.292 -4.113 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -8.110 6.276 -2.886 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -7.336 4.753 -3.384 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -8.049 4.662 -8.120 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -9.636 4.997 -7.388 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -8.414 6.286 -7.492 1.00 0.00 H new ATOM 536 N HIS A 37 -11.873 4.896 -2.853 1.00 0.00 N ATOM 537 CA HIS A 37 -12.775 5.333 -1.793 1.00 0.00 C ATOM 538 C HIS A 37 -13.290 6.770 -1.960 1.00 0.00 C ATOM 539 O HIS A 37 -14.476 7.017 -1.747 1.00 0.00 O ATOM 540 CB HIS A 37 -12.087 5.093 -0.451 1.00 0.00 C ATOM 541 CG HIS A 37 -13.035 5.150 0.712 1.00 0.00 C ATOM 542 ND1 HIS A 37 -13.678 4.081 1.291 1.00 0.00 N ATOM 543 CD2 HIS A 37 -13.420 6.271 1.390 1.00 0.00 C ATOM 544 CE1 HIS A 37 -14.429 4.554 2.300 1.00 0.00 C ATOM 545 NE2 HIS A 37 -14.306 5.889 2.405 1.00 0.00 N ATOM 0 H HIS A 37 -12.253 4.113 -3.385 1.00 0.00 H new ATOM 0 HA HIS A 37 -13.686 4.738 -1.847 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -11.599 4.118 -0.468 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -11.304 5.839 -0.312 1.00 0.00 H new ATOM 0 HD1 HIS A 37 -13.599 3.105 1.006 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -13.097 7.280 1.179 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -15.048 3.944 2.941 1.00 0.00 H new ATOM 553 N ASP A 38 -12.421 7.711 -2.337 1.00 0.00 N ATOM 554 CA ASP A 38 -12.777 9.077 -2.703 1.00 0.00 C ATOM 555 C ASP A 38 -11.806 9.629 -3.753 1.00 0.00 C ATOM 556 O ASP A 38 -11.978 10.758 -4.208 1.00 0.00 O ATOM 557 CB ASP A 38 -12.742 9.992 -1.473 1.00 0.00 C ATOM 558 CG ASP A 38 -13.925 9.773 -0.534 1.00 0.00 C ATOM 559 OD1 ASP A 38 -15.075 9.905 -1.012 1.00 0.00 O ATOM 560 OD2 ASP A 38 -13.672 9.475 0.654 1.00 0.00 O ATOM 0 H ASP A 38 -11.418 7.534 -2.397 1.00 0.00 H new ATOM 0 HA ASP A 38 -13.786 9.054 -3.115 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -11.815 9.821 -0.926 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -12.732 11.032 -1.800 1.00 0.00 H new ATOM 565 N GLY A 39 -10.789 8.853 -4.146 1.00 0.00 N ATOM 566 CA GLY A 39 -9.779 9.309 -5.086 1.00 0.00 C ATOM 567 C GLY A 39 -8.533 9.730 -4.318 1.00 0.00 C ATOM 568 O GLY A 39 -8.020 8.980 -3.491 1.00 0.00 O ATOM 0 H GLY A 39 -10.650 7.897 -3.819 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -9.535 8.514 -5.790 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -10.161 10.146 -5.670 1.00 0.00 H new ATOM 572 N ALA A 40 -8.049 10.942 -4.598 1.00 0.00 N ATOM 573 CA ALA A 40 -6.928 11.547 -3.892 1.00 0.00 C ATOM 574 C ALA A 40 -7.237 11.780 -2.406 1.00 0.00 C ATOM 575 O ALA A 40 -6.432 12.381 -1.696 1.00 0.00 O ATOM 576 CB ALA A 40 -6.584 12.864 -4.581 1.00 0.00 C ATOM 0 H ALA A 40 -8.433 11.536 -5.333 1.00 0.00 H new ATOM 0 HA ALA A 40 -6.079 10.864 -3.928 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -5.746 13.335 -4.068 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -6.312 12.672 -5.619 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -7.448 13.528 -4.549 1.00 0.00 H new ATOM 582 N ALA A 41 -8.396 11.307 -1.939 1.00 0.00 N ATOM 583 CA ALA A 41 -8.837 11.435 -0.558 1.00 0.00 C ATOM 584 C ALA A 41 -8.999 10.061 0.100 1.00 0.00 C ATOM 585 O ALA A 41 -9.640 9.943 1.143 1.00 0.00 O ATOM 586 CB ALA A 41 -10.125 12.254 -0.523 1.00 0.00 C ATOM 0 H ALA A 41 -9.066 10.814 -2.529 1.00 0.00 H new ATOM 0 HA ALA A 41 -8.080 11.960 0.024 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -10.464 12.356 0.508 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -9.939 13.243 -0.943 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -10.893 11.749 -1.109 1.00 0.00 H new ATOM 592 N GLY A 42 -8.416 9.025 -0.512 1.00 0.00 N ATOM 593 CA GLY A 42 -8.415 7.674 0.031 1.00 0.00 C ATOM 594 C GLY A 42 -7.063 6.987 -0.166 1.00 0.00 C ATOM 595 O GLY A 42 -6.901 5.825 0.202 1.00 0.00 O ATOM 0 H GLY A 42 -7.929 9.107 -1.405 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -8.654 7.709 1.094 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -9.196 7.087 -0.453 1.00 0.00 H new ATOM 599 N VAL A 43 -6.086 7.696 -0.744 1.00 0.00 N ATOM 600 CA VAL A 43 -4.734 7.177 -0.901 1.00 0.00 C ATOM 601 C VAL A 43 -4.017 7.196 0.453 1.00 0.00 C ATOM 602 O VAL A 43 -4.460 7.876 1.378 1.00 0.00 O ATOM 603 CB VAL A 43 -3.966 8.030 -1.924 1.00 0.00 C ATOM 604 CG1 VAL A 43 -3.443 9.315 -1.280 1.00 0.00 C ATOM 605 CG2 VAL A 43 -2.803 7.216 -2.495 1.00 0.00 C ATOM 0 H VAL A 43 -6.215 8.639 -1.112 1.00 0.00 H new ATOM 0 HA VAL A 43 -4.778 6.150 -1.264 1.00 0.00 H new ATOM 0 HB VAL A 43 -4.646 8.308 -2.729 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -2.903 9.901 -2.024 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -4.281 9.897 -0.897 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -2.771 9.063 -0.459 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -2.258 7.820 -3.220 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -2.131 6.925 -1.687 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -3.190 6.322 -2.985 1.00 0.00 H new ATOM 615 N HIS A 44 -2.912 6.454 0.575 1.00 0.00 N ATOM 616 CA HIS A 44 -2.071 6.483 1.762 1.00 0.00 C ATOM 617 C HIS A 44 -0.623 6.172 1.393 1.00 0.00 C ATOM 618 O HIS A 44 -0.369 5.476 0.414 1.00 0.00 O ATOM 619 CB HIS A 44 -2.545 5.437 2.767 1.00 0.00 C ATOM 620 CG HIS A 44 -3.808 5.807 3.493 1.00 0.00 C ATOM 621 ND1 HIS A 44 -3.940 6.767 4.471 1.00 0.00 N ATOM 622 CD2 HIS A 44 -5.042 5.249 3.305 1.00 0.00 C ATOM 623 CE1 HIS A 44 -5.225 6.774 4.865 1.00 0.00 C ATOM 624 NE2 HIS A 44 -5.942 5.866 4.179 1.00 0.00 N ATOM 0 H HIS A 44 -2.581 5.818 -0.150 1.00 0.00 H new ATOM 0 HA HIS A 44 -2.137 7.479 2.199 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -2.703 4.493 2.245 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -1.755 5.268 3.499 1.00 0.00 H new ATOM 0 HD1 HIS A 44 -3.197 7.365 4.832 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -5.281 4.465 2.601 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -5.628 7.422 5.630 1.00 0.00 H new ATOM 632 N PHE A 45 0.319 6.690 2.187 1.00 0.00 N ATOM 633 CA PHE A 45 1.748 6.457 2.028 1.00 0.00 C ATOM 634 C PHE A 45 2.415 6.550 3.401 1.00 0.00 C ATOM 635 O PHE A 45 1.840 7.118 4.328 1.00 0.00 O ATOM 636 CB PHE A 45 2.345 7.522 1.105 1.00 0.00 C ATOM 637 CG PHE A 45 1.814 7.496 -0.310 1.00 0.00 C ATOM 638 CD1 PHE A 45 2.345 6.596 -1.246 1.00 0.00 C ATOM 639 CD2 PHE A 45 0.788 8.373 -0.691 1.00 0.00 C ATOM 640 CE1 PHE A 45 1.843 6.566 -2.555 1.00 0.00 C ATOM 641 CE2 PHE A 45 0.291 8.345 -2.001 1.00 0.00 C ATOM 642 CZ PHE A 45 0.816 7.440 -2.934 1.00 0.00 C ATOM 0 H PHE A 45 0.098 7.297 2.976 1.00 0.00 H new ATOM 0 HA PHE A 45 1.915 5.471 1.594 1.00 0.00 H new ATOM 0 HB2 PHE A 45 2.152 8.505 1.534 1.00 0.00 H new ATOM 0 HB3 PHE A 45 3.427 7.394 1.076 1.00 0.00 H new ATOM 0 HD1 PHE A 45 3.141 5.926 -0.958 1.00 0.00 H new ATOM 0 HD2 PHE A 45 0.381 9.071 0.026 1.00 0.00 H new ATOM 0 HE1 PHE A 45 2.249 5.868 -3.272 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -0.498 9.022 -2.292 1.00 0.00 H new ATOM 0 HZ PHE A 45 0.430 7.417 -3.942 1.00 0.00 H new ATOM 652 N ILE A 46 3.626 5.996 3.532 1.00 0.00 N ATOM 653 CA ILE A 46 4.363 6.014 4.787 1.00 0.00 C ATOM 654 C ILE A 46 5.826 6.333 4.493 1.00 0.00 C ATOM 655 O ILE A 46 6.488 5.617 3.742 1.00 0.00 O ATOM 656 CB ILE A 46 4.214 4.672 5.525 1.00 0.00 C ATOM 657 CG1 ILE A 46 2.741 4.303 5.746 1.00 0.00 C ATOM 658 CG2 ILE A 46 4.885 4.775 6.897 1.00 0.00 C ATOM 659 CD1 ILE A 46 2.197 3.399 4.644 1.00 0.00 C ATOM 0 H ILE A 46 4.115 5.526 2.770 1.00 0.00 H new ATOM 0 HA ILE A 46 3.958 6.784 5.443 1.00 0.00 H new ATOM 0 HB ILE A 46 4.681 3.904 4.909 1.00 0.00 H new ATOM 0 HG12 ILE A 46 2.635 3.802 6.708 1.00 0.00 H new ATOM 0 HG13 ILE A 46 2.144 5.214 5.793 1.00 0.00 H new ATOM 0 HG21 ILE A 46 4.782 3.827 7.424 1.00 0.00 H new ATOM 0 HG22 ILE A 46 5.942 5.006 6.768 1.00 0.00 H new ATOM 0 HG23 ILE A 46 4.409 5.566 7.477 1.00 0.00 H new ATOM 0 HD11 ILE A 46 1.151 3.167 4.847 1.00 0.00 H new ATOM 0 HD12 ILE A 46 2.276 3.908 3.684 1.00 0.00 H new ATOM 0 HD13 ILE A 46 2.774 2.475 4.613 1.00 0.00 H new ATOM 826 N ALA A 57 2.967 1.657 1.015 1.00 0.00 N ATOM 827 CA ALA A 57 1.705 2.378 0.963 1.00 0.00 C ATOM 828 C ALA A 57 0.479 1.463 1.025 1.00 0.00 C ATOM 829 O ALA A 57 0.596 0.247 1.171 1.00 0.00 O ATOM 830 CB ALA A 57 1.698 3.155 -0.355 1.00 0.00 C ATOM 0 HA ALA A 57 1.636 3.028 1.835 1.00 0.00 H new ATOM 0 HB1 ALA A 57 0.767 3.715 -0.442 1.00 0.00 H new ATOM 0 HB2 ALA A 57 2.541 3.846 -0.374 1.00 0.00 H new ATOM 0 HB3 ALA A 57 1.781 2.458 -1.189 1.00 0.00 H new ATOM 836 N PHE A 58 -0.707 2.073 0.911 1.00 0.00 N ATOM 837 CA PHE A 58 -1.990 1.381 0.868 1.00 0.00 C ATOM 838 C PHE A 58 -2.940 2.142 -0.051 1.00 0.00 C ATOM 839 O PHE A 58 -2.652 3.264 -0.465 1.00 0.00 O ATOM 840 CB PHE A 58 -2.635 1.319 2.255 1.00 0.00 C ATOM 841 CG PHE A 58 -1.839 0.623 3.329 1.00 0.00 C ATOM 842 CD1 PHE A 58 -0.934 1.366 4.093 1.00 0.00 C ATOM 843 CD2 PHE A 58 -2.009 -0.748 3.574 1.00 0.00 C ATOM 844 CE1 PHE A 58 -0.219 0.748 5.122 1.00 0.00 C ATOM 845 CE2 PHE A 58 -1.281 -1.370 4.597 1.00 0.00 C ATOM 846 CZ PHE A 58 -0.386 -0.621 5.375 1.00 0.00 C ATOM 0 H PHE A 58 -0.797 3.087 0.845 1.00 0.00 H new ATOM 0 HA PHE A 58 -1.811 0.368 0.507 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -2.837 2.338 2.585 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -3.598 0.817 2.163 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -0.788 2.416 3.888 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -2.700 -1.323 2.975 1.00 0.00 H new ATOM 0 HE1 PHE A 58 0.465 1.327 5.725 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -1.409 -2.426 4.786 1.00 0.00 H new ATOM 0 HZ PHE A 58 0.173 -1.097 6.167 1.00 0.00 H new ATOM 856 N VAL A 59 -4.078 1.523 -0.368 1.00 0.00 N ATOM 857 CA VAL A 59 -5.105 2.130 -1.200 1.00 0.00 C ATOM 858 C VAL A 59 -6.472 1.669 -0.703 1.00 0.00 C ATOM 859 O VAL A 59 -6.837 0.508 -0.881 1.00 0.00 O ATOM 860 CB VAL A 59 -4.908 1.729 -2.670 1.00 0.00 C ATOM 861 CG1 VAL A 59 -5.916 2.470 -3.547 1.00 0.00 C ATOM 862 CG2 VAL A 59 -3.507 2.077 -3.178 1.00 0.00 C ATOM 0 H VAL A 59 -4.310 0.582 -0.051 1.00 0.00 H new ATOM 0 HA VAL A 59 -5.037 3.216 -1.135 1.00 0.00 H new ATOM 0 HB VAL A 59 -5.049 0.650 -2.726 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -5.773 2.183 -4.589 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -6.928 2.212 -3.235 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -5.767 3.545 -3.444 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -3.413 1.776 -4.221 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -3.346 3.152 -3.095 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -2.762 1.552 -2.580 1.00 0.00 H new ATOM 872 N GLU A 60 -7.236 2.570 -0.077 1.00 0.00 N ATOM 873 CA GLU A 60 -8.602 2.254 0.318 1.00 0.00 C ATOM 874 C GLU A 60 -9.463 2.170 -0.937 1.00 0.00 C ATOM 875 O GLU A 60 -9.156 2.820 -1.934 1.00 0.00 O ATOM 876 CB GLU A 60 -9.163 3.340 1.238 1.00 0.00 C ATOM 877 CG GLU A 60 -8.388 3.432 2.552 1.00 0.00 C ATOM 878 CD GLU A 60 -9.045 4.436 3.500 1.00 0.00 C ATOM 879 OE1 GLU A 60 -9.240 5.599 3.079 1.00 0.00 O ATOM 880 OE2 GLU A 60 -9.352 4.032 4.643 1.00 0.00 O ATOM 0 H GLU A 60 -6.931 3.513 0.163 1.00 0.00 H new ATOM 0 HA GLU A 60 -8.609 1.305 0.855 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -9.127 4.302 0.727 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -10.212 3.130 1.449 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -8.348 2.451 3.025 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -7.359 3.732 2.353 1.00 0.00 H new ATOM 887 N LEU A 61 -10.539 1.381 -0.898 1.00 0.00 N ATOM 888 CA LEU A 61 -11.430 1.235 -2.041 1.00 0.00 C ATOM 889 C LEU A 61 -12.880 1.417 -1.605 1.00 0.00 C ATOM 890 O LEU A 61 -13.146 1.814 -0.472 1.00 0.00 O ATOM 891 CB LEU A 61 -11.245 -0.132 -2.705 1.00 0.00 C ATOM 892 CG LEU A 61 -9.776 -0.567 -2.821 1.00 0.00 C ATOM 893 CD1 LEU A 61 -9.725 -2.060 -3.101 1.00 0.00 C ATOM 894 CD2 LEU A 61 -9.074 0.146 -3.974 1.00 0.00 C ATOM 0 H LEU A 61 -10.811 0.833 -0.082 1.00 0.00 H new ATOM 0 HA LEU A 61 -11.180 2.006 -2.770 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -11.793 -0.881 -2.133 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -11.687 -0.105 -3.701 1.00 0.00 H new ATOM 0 HG LEU A 61 -9.275 -0.316 -1.886 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -8.686 -2.379 -3.185 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -10.205 -2.600 -2.285 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -10.247 -2.273 -4.034 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -8.037 -0.184 -4.028 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -9.580 -0.091 -4.910 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -9.104 1.223 -3.808 1.00 0.00 H new ATOM 906 N GLY A 62 -13.821 1.126 -2.508 1.00 0.00 N ATOM 907 CA GLY A 62 -15.226 1.379 -2.251 1.00 0.00 C ATOM 908 C GLY A 62 -16.065 0.110 -2.107 1.00 0.00 C ATOM 909 O GLY A 62 -17.095 0.151 -1.436 1.00 0.00 O ATOM 0 H GLY A 62 -13.627 0.715 -3.421 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -15.318 1.970 -1.340 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -15.632 1.981 -3.064 1.00 0.00 H new ATOM 913 N SER A 63 -15.647 -1.006 -2.716 1.00 0.00 N ATOM 914 CA SER A 63 -16.422 -2.240 -2.663 1.00 0.00 C ATOM 915 C SER A 63 -15.525 -3.471 -2.740 1.00 0.00 C ATOM 916 O SER A 63 -14.341 -3.373 -3.055 1.00 0.00 O ATOM 917 CB SER A 63 -17.407 -2.280 -3.836 1.00 0.00 C ATOM 918 OG SER A 63 -18.319 -1.203 -3.766 1.00 0.00 O ATOM 0 H SER A 63 -14.779 -1.075 -3.248 1.00 0.00 H new ATOM 0 HA SER A 63 -16.954 -2.255 -1.712 1.00 0.00 H new ATOM 0 HB2 SER A 63 -16.859 -2.237 -4.777 1.00 0.00 H new ATOM 0 HB3 SER A 63 -17.952 -3.224 -3.827 1.00 0.00 H new ATOM 0 HG SER A 63 -18.937 -1.248 -4.525 1.00 0.00 H new ATOM 924 N GLU A 64 -16.102 -4.641 -2.449 1.00 0.00 N ATOM 925 CA GLU A 64 -15.405 -5.916 -2.548 1.00 0.00 C ATOM 926 C GLU A 64 -14.927 -6.156 -3.978 1.00 0.00 C ATOM 927 O GLU A 64 -13.911 -6.812 -4.193 1.00 0.00 O ATOM 928 CB GLU A 64 -16.366 -7.031 -2.128 1.00 0.00 C ATOM 929 CG GLU A 64 -15.738 -8.413 -2.312 1.00 0.00 C ATOM 930 CD GLU A 64 -16.664 -9.504 -1.778 1.00 0.00 C ATOM 931 OE1 GLU A 64 -17.512 -9.978 -2.567 1.00 0.00 O ATOM 932 OE2 GLU A 64 -16.516 -9.856 -0.586 1.00 0.00 O ATOM 0 H GLU A 64 -17.070 -4.725 -2.137 1.00 0.00 H new ATOM 0 HA GLU A 64 -14.533 -5.905 -1.895 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -16.648 -6.895 -1.084 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -17.281 -6.965 -2.717 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -15.534 -8.587 -3.369 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -14.781 -8.455 -1.792 1.00 0.00 H new ATOM 939 N ASP A 65 -15.649 -5.632 -4.969 1.00 0.00 N ATOM 940 CA ASP A 65 -15.255 -5.846 -6.349 1.00 0.00 C ATOM 941 C ASP A 65 -13.969 -5.086 -6.668 1.00 0.00 C ATOM 942 O ASP A 65 -13.229 -5.478 -7.568 1.00 0.00 O ATOM 943 CB ASP A 65 -16.390 -5.409 -7.272 1.00 0.00 C ATOM 944 CG ASP A 65 -16.151 -5.881 -8.705 1.00 0.00 C ATOM 945 OD1 ASP A 65 -15.876 -7.091 -8.873 1.00 0.00 O ATOM 946 OD2 ASP A 65 -16.246 -5.030 -9.617 1.00 0.00 O ATOM 0 H ASP A 65 -16.490 -5.070 -4.841 1.00 0.00 H new ATOM 0 HA ASP A 65 -15.058 -6.907 -6.506 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -17.335 -5.812 -6.907 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -16.479 -4.323 -7.254 1.00 0.00 H new ATOM 951 N ASP A 66 -13.692 -3.999 -5.939 1.00 0.00 N ATOM 952 CA ASP A 66 -12.492 -3.213 -6.166 1.00 0.00 C ATOM 953 C ASP A 66 -11.280 -3.908 -5.555 1.00 0.00 C ATOM 954 O ASP A 66 -10.203 -3.888 -6.147 1.00 0.00 O ATOM 955 CB ASP A 66 -12.664 -1.837 -5.523 1.00 0.00 C ATOM 956 CG ASP A 66 -13.801 -1.036 -6.152 1.00 0.00 C ATOM 957 OD1 ASP A 66 -13.914 -1.064 -7.398 1.00 0.00 O ATOM 958 OD2 ASP A 66 -14.546 -0.403 -5.372 1.00 0.00 O ATOM 0 H ASP A 66 -14.288 -3.650 -5.188 1.00 0.00 H new ATOM 0 HA ASP A 66 -12.334 -3.107 -7.239 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -12.856 -1.959 -4.457 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -11.734 -1.277 -5.617 1.00 0.00 H new ATOM 963 N VAL A 67 -11.437 -4.526 -4.378 1.00 0.00 N ATOM 964 CA VAL A 67 -10.325 -5.221 -3.744 1.00 0.00 C ATOM 965 C VAL A 67 -9.975 -6.455 -4.562 1.00 0.00 C ATOM 966 O VAL A 67 -8.801 -6.775 -4.713 1.00 0.00 O ATOM 967 CB VAL A 67 -10.625 -5.545 -2.271 1.00 0.00 C ATOM 968 CG1 VAL A 67 -12.051 -6.011 -2.022 1.00 0.00 C ATOM 969 CG2 VAL A 67 -9.678 -6.610 -1.721 1.00 0.00 C ATOM 0 H VAL A 67 -12.313 -4.556 -3.856 1.00 0.00 H new ATOM 0 HA VAL A 67 -9.452 -4.568 -3.726 1.00 0.00 H new ATOM 0 HB VAL A 67 -10.478 -4.598 -1.752 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -12.185 -6.220 -0.961 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -12.748 -5.231 -2.329 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -12.244 -6.917 -2.597 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -9.923 -6.811 -0.678 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -9.784 -7.526 -2.302 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -8.650 -6.254 -1.791 1.00 0.00 H new ATOM 979 N LYS A 68 -10.977 -7.154 -5.095 1.00 0.00 N ATOM 980 CA LYS A 68 -10.737 -8.283 -5.975 1.00 0.00 C ATOM 981 C LYS A 68 -9.944 -7.836 -7.202 1.00 0.00 C ATOM 982 O LYS A 68 -8.952 -8.469 -7.563 1.00 0.00 O ATOM 983 CB LYS A 68 -12.090 -8.871 -6.374 1.00 0.00 C ATOM 984 CG LYS A 68 -12.718 -9.580 -5.172 1.00 0.00 C ATOM 985 CD LYS A 68 -14.211 -9.871 -5.356 1.00 0.00 C ATOM 986 CE LYS A 68 -14.530 -10.787 -6.537 1.00 0.00 C ATOM 987 NZ LYS A 68 -14.483 -10.073 -7.829 1.00 0.00 N ATOM 0 H LYS A 68 -11.963 -6.953 -4.928 1.00 0.00 H new ATOM 0 HA LYS A 68 -10.146 -9.045 -5.466 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -12.751 -8.080 -6.728 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -11.964 -9.574 -7.198 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -12.191 -10.517 -4.995 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -12.581 -8.964 -4.283 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -14.596 -10.326 -4.443 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -14.740 -8.927 -5.489 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -13.820 -11.613 -6.555 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -15.520 -11.221 -6.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -15.319 -10.323 -8.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -14.475 -9.047 -7.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -13.622 -10.345 -8.345 1.00 0.00 H new ATOM 1001 N MET A 69 -10.375 -6.747 -7.846 1.00 0.00 N ATOM 1002 CA MET A 69 -9.716 -6.245 -9.042 1.00 0.00 C ATOM 1003 C MET A 69 -8.314 -5.725 -8.744 1.00 0.00 C ATOM 1004 O MET A 69 -7.448 -5.781 -9.615 1.00 0.00 O ATOM 1005 CB MET A 69 -10.560 -5.133 -9.668 1.00 0.00 C ATOM 1006 CG MET A 69 -11.737 -5.730 -10.438 1.00 0.00 C ATOM 1007 SD MET A 69 -12.624 -4.552 -11.493 1.00 0.00 S ATOM 1008 CE MET A 69 -13.093 -3.310 -10.261 1.00 0.00 C ATOM 0 H MET A 69 -11.183 -6.198 -7.552 1.00 0.00 H new ATOM 0 HA MET A 69 -9.618 -7.076 -9.741 1.00 0.00 H new ATOM 0 HB2 MET A 69 -10.928 -4.464 -8.890 1.00 0.00 H new ATOM 0 HB3 MET A 69 -9.944 -4.534 -10.339 1.00 0.00 H new ATOM 0 HG2 MET A 69 -11.371 -6.549 -11.058 1.00 0.00 H new ATOM 0 HG3 MET A 69 -12.440 -6.160 -9.725 1.00 0.00 H new ATOM 0 HE1 MET A 69 -13.809 -2.615 -10.699 1.00 0.00 H new ATOM 0 HE2 MET A 69 -13.546 -3.803 -9.401 1.00 0.00 H new ATOM 0 HE3 MET A 69 -12.207 -2.763 -9.940 1.00 0.00 H new ATOM 1018 N ALA A 70 -8.068 -5.221 -7.532 1.00 0.00 N ATOM 1019 CA ALA A 70 -6.756 -4.713 -7.170 1.00 0.00 C ATOM 1020 C ALA A 70 -5.746 -5.849 -6.991 1.00 0.00 C ATOM 1021 O ALA A 70 -4.552 -5.654 -7.202 1.00 0.00 O ATOM 1022 CB ALA A 70 -6.878 -3.903 -5.881 1.00 0.00 C ATOM 0 H ALA A 70 -8.765 -5.157 -6.790 1.00 0.00 H new ATOM 0 HA ALA A 70 -6.390 -4.077 -7.976 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -5.898 -3.517 -5.600 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -7.565 -3.071 -6.038 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -7.258 -4.542 -5.084 1.00 0.00 H new ATOM 1028 N LEU A 71 -6.218 -7.036 -6.603 1.00 0.00 N ATOM 1029 CA LEU A 71 -5.363 -8.195 -6.401 1.00 0.00 C ATOM 1030 C LEU A 71 -5.015 -8.879 -7.724 1.00 0.00 C ATOM 1031 O LEU A 71 -4.092 -9.690 -7.773 1.00 0.00 O ATOM 1032 CB LEU A 71 -6.074 -9.159 -5.451 1.00 0.00 C ATOM 1033 CG LEU A 71 -6.299 -8.487 -4.093 1.00 0.00 C ATOM 1034 CD1 LEU A 71 -7.232 -9.334 -3.237 1.00 0.00 C ATOM 1035 CD2 LEU A 71 -4.979 -8.273 -3.363 1.00 0.00 C ATOM 0 H LEU A 71 -7.206 -7.215 -6.421 1.00 0.00 H new ATOM 0 HA LEU A 71 -4.418 -7.873 -5.963 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -7.030 -9.464 -5.878 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -5.478 -10.063 -5.324 1.00 0.00 H new ATOM 0 HG LEU A 71 -6.756 -7.513 -4.269 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -7.385 -8.847 -2.274 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -8.191 -9.445 -3.744 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -6.789 -10.317 -3.080 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -5.168 -7.794 -2.402 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -4.493 -9.235 -3.200 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -4.330 -7.636 -3.964 1.00 0.00 H new ATOM 1047 N LYS A 72 -5.743 -8.562 -8.799 1.00 0.00 N ATOM 1048 CA LYS A 72 -5.446 -9.094 -10.129 1.00 0.00 C ATOM 1049 C LYS A 72 -4.121 -8.592 -10.714 1.00 0.00 C ATOM 1050 O LYS A 72 -3.720 -9.057 -11.779 1.00 0.00 O ATOM 1051 CB LYS A 72 -6.568 -8.744 -11.107 1.00 0.00 C ATOM 1052 CG LYS A 72 -7.935 -9.255 -10.651 1.00 0.00 C ATOM 1053 CD LYS A 72 -7.914 -10.756 -10.353 1.00 0.00 C ATOM 1054 CE LYS A 72 -9.286 -11.223 -9.870 1.00 0.00 C ATOM 1055 NZ LYS A 72 -10.300 -11.131 -10.937 1.00 0.00 N ATOM 0 H LYS A 72 -6.547 -7.935 -8.771 1.00 0.00 H new ATOM 0 HA LYS A 72 -5.361 -10.173 -9.998 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -6.612 -7.662 -11.229 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -6.336 -9.166 -12.085 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -8.246 -8.712 -9.758 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -8.676 -9.049 -11.424 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -7.630 -11.307 -11.250 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -7.162 -10.972 -9.594 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -9.218 -12.253 -9.521 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -9.598 -10.618 -9.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -11.159 -11.639 -10.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -10.531 -10.132 -11.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -9.926 -11.557 -11.809 1.00 0.00 H new ATOM 1069 N LYS A 73 -3.440 -7.656 -10.043 1.00 0.00 N ATOM 1070 CA LYS A 73 -2.173 -7.101 -10.513 1.00 0.00 C ATOM 1071 C LYS A 73 -1.145 -7.083 -9.385 1.00 0.00 C ATOM 1072 O LYS A 73 -0.206 -6.291 -9.393 1.00 0.00 O ATOM 1073 CB LYS A 73 -2.396 -5.715 -11.129 1.00 0.00 C ATOM 1074 CG LYS A 73 -2.880 -4.675 -10.122 1.00 0.00 C ATOM 1075 CD LYS A 73 -4.400 -4.565 -10.050 1.00 0.00 C ATOM 1076 CE LYS A 73 -4.960 -4.033 -11.371 1.00 0.00 C ATOM 1077 NZ LYS A 73 -6.424 -3.857 -11.307 1.00 0.00 N ATOM 0 H LYS A 73 -3.756 -7.263 -9.156 1.00 0.00 H new ATOM 0 HA LYS A 73 -1.769 -7.740 -11.298 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -1.464 -5.370 -11.577 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -3.125 -5.797 -11.935 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -2.494 -4.929 -9.135 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -2.465 -3.703 -10.387 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -4.832 -5.542 -9.832 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -4.685 -3.901 -9.234 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -4.488 -3.080 -11.610 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -4.710 -4.723 -12.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -6.850 -4.161 -12.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -6.809 -4.431 -10.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -6.646 -2.855 -11.140 1.00 0.00 H new ATOM 1091 N ASP A 74 -1.346 -7.974 -8.416 1.00 0.00 N ATOM 1092 CA ASP A 74 -0.559 -8.103 -7.195 1.00 0.00 C ATOM 1093 C ASP A 74 0.969 -8.037 -7.316 1.00 0.00 C ATOM 1094 O ASP A 74 1.618 -7.770 -6.306 1.00 0.00 O ATOM 1095 CB ASP A 74 -0.984 -9.382 -6.472 1.00 0.00 C ATOM 1096 CG ASP A 74 -0.466 -10.645 -7.162 1.00 0.00 C ATOM 1097 OD1 ASP A 74 -0.550 -10.711 -8.407 1.00 0.00 O ATOM 1098 OD2 ASP A 74 0.014 -11.540 -6.430 1.00 0.00 O ATOM 0 H ASP A 74 -2.100 -8.659 -8.465 1.00 0.00 H new ATOM 0 HA ASP A 74 -0.787 -7.201 -6.627 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -0.616 -9.355 -5.446 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -2.072 -9.421 -6.419 1.00 0.00 H new ATOM 1103 N ARG A 75 1.564 -8.264 -8.494 1.00 0.00 N ATOM 1104 CA ARG A 75 3.012 -8.122 -8.664 1.00 0.00 C ATOM 1105 C ARG A 75 3.386 -7.702 -10.087 1.00 0.00 C ATOM 1106 O ARG A 75 4.570 -7.657 -10.419 1.00 0.00 O ATOM 1107 CB ARG A 75 3.759 -9.412 -8.335 1.00 0.00 C ATOM 1108 CG ARG A 75 3.447 -9.953 -6.945 1.00 0.00 C ATOM 1109 CD ARG A 75 4.199 -11.266 -6.770 1.00 0.00 C ATOM 1110 NE ARG A 75 5.654 -11.095 -6.857 1.00 0.00 N ATOM 1111 CZ ARG A 75 6.409 -11.441 -7.904 1.00 0.00 C ATOM 1112 NH1 ARG A 75 5.871 -11.999 -8.987 1.00 0.00 N ATOM 1113 NH2 ARG A 75 7.722 -11.228 -7.870 1.00 0.00 N ATOM 0 H ARG A 75 1.066 -8.545 -9.339 1.00 0.00 H new ATOM 0 HA ARG A 75 3.310 -7.341 -7.964 1.00 0.00 H new ATOM 0 HB2 ARG A 75 3.506 -10.169 -9.077 1.00 0.00 H new ATOM 0 HB3 ARG A 75 4.831 -9.233 -8.415 1.00 0.00 H new ATOM 0 HG2 ARG A 75 3.749 -9.237 -6.181 1.00 0.00 H new ATOM 0 HG3 ARG A 75 2.375 -10.110 -6.829 1.00 0.00 H new ATOM 0 HD2 ARG A 75 3.944 -11.701 -5.803 1.00 0.00 H new ATOM 0 HD3 ARG A 75 3.873 -11.973 -7.533 1.00 0.00 H new ATOM 0 HE ARG A 75 6.127 -10.679 -6.055 1.00 0.00 H new ATOM 0 HH11 ARG A 75 4.866 -12.169 -9.027 1.00 0.00 H new ATOM 0 HH12 ARG A 75 6.464 -12.256 -9.776 1.00 0.00 H new ATOM 0 HH21 ARG A 75 8.148 -10.802 -7.047 1.00 0.00 H new ATOM 0 HH22 ARG A 75 8.302 -11.491 -8.667 1.00 0.00 H new ATOM 1127 N GLU A 76 2.401 -7.394 -10.934 1.00 0.00 N ATOM 1128 CA GLU A 76 2.679 -7.024 -12.318 1.00 0.00 C ATOM 1129 C GLU A 76 3.098 -5.558 -12.421 1.00 0.00 C ATOM 1130 O GLU A 76 3.389 -4.916 -11.413 1.00 0.00 O ATOM 1131 CB GLU A 76 1.501 -7.377 -13.226 1.00 0.00 C ATOM 1132 CG GLU A 76 0.252 -6.581 -12.874 1.00 0.00 C ATOM 1133 CD GLU A 76 -0.879 -6.874 -13.859 1.00 0.00 C ATOM 1134 OE1 GLU A 76 -1.253 -8.062 -13.971 1.00 0.00 O ATOM 1135 OE2 GLU A 76 -1.361 -5.910 -14.494 1.00 0.00 O ATOM 0 H GLU A 76 1.412 -7.394 -10.686 1.00 0.00 H new ATOM 0 HA GLU A 76 3.527 -7.610 -12.672 1.00 0.00 H new ATOM 0 HB2 GLU A 76 1.773 -7.185 -14.264 1.00 0.00 H new ATOM 0 HB3 GLU A 76 1.287 -8.443 -13.144 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -0.069 -6.829 -11.862 1.00 0.00 H new ATOM 0 HG3 GLU A 76 0.481 -5.515 -12.884 1.00 0.00 H new ATOM 1142 N SER A 77 3.128 -5.025 -13.645 1.00 0.00 N ATOM 1143 CA SER A 77 3.707 -3.719 -13.911 1.00 0.00 C ATOM 1144 C SER A 77 2.748 -2.823 -14.688 1.00 0.00 C ATOM 1145 O SER A 77 1.850 -3.307 -15.376 1.00 0.00 O ATOM 1146 CB SER A 77 4.985 -3.932 -14.720 1.00 0.00 C ATOM 1147 OG SER A 77 5.917 -4.687 -13.976 1.00 0.00 O ATOM 0 H SER A 77 2.752 -5.489 -14.472 1.00 0.00 H new ATOM 0 HA SER A 77 3.918 -3.221 -12.965 1.00 0.00 H new ATOM 0 HB2 SER A 77 4.752 -4.447 -15.652 1.00 0.00 H new ATOM 0 HB3 SER A 77 5.419 -2.968 -14.988 1.00 0.00 H new ATOM 0 HG SER A 77 6.730 -4.817 -14.507 1.00 0.00 H new ATOM 1153 N MET A 78 2.944 -1.504 -14.575 1.00 0.00 N ATOM 1154 CA MET A 78 2.164 -0.521 -15.321 1.00 0.00 C ATOM 1155 C MET A 78 2.467 -0.615 -16.816 1.00 0.00 C ATOM 1156 O MET A 78 1.680 -0.154 -17.639 1.00 0.00 O ATOM 1157 CB MET A 78 2.538 0.889 -14.855 1.00 0.00 C ATOM 1158 CG MET A 78 2.112 1.171 -13.416 1.00 0.00 C ATOM 1159 SD MET A 78 2.758 2.752 -12.809 1.00 0.00 S ATOM 1160 CE MET A 78 1.909 2.848 -11.215 1.00 0.00 C ATOM 0 H MET A 78 3.649 -1.093 -13.963 1.00 0.00 H new ATOM 0 HA MET A 78 1.107 -0.722 -15.145 1.00 0.00 H new ATOM 0 HB2 MET A 78 3.616 1.021 -14.942 1.00 0.00 H new ATOM 0 HB3 MET A 78 2.073 1.620 -15.516 1.00 0.00 H new ATOM 0 HG2 MET A 78 1.024 1.178 -13.356 1.00 0.00 H new ATOM 0 HG3 MET A 78 2.462 0.365 -12.771 1.00 0.00 H new ATOM 0 HE1 MET A 78 2.337 3.657 -10.623 1.00 0.00 H new ATOM 0 HE2 MET A 78 0.848 3.039 -11.379 1.00 0.00 H new ATOM 0 HE3 MET A 78 2.030 1.905 -10.681 1.00 0.00 H new ATOM 1170 N GLY A 79 3.611 -1.215 -17.153 1.00 0.00 N ATOM 1171 CA GLY A 79 4.092 -1.315 -18.520 1.00 0.00 C ATOM 1172 C GLY A 79 5.563 -0.909 -18.609 1.00 0.00 C ATOM 1173 O GLY A 79 6.186 -1.077 -19.656 1.00 0.00 O ATOM 0 H GLY A 79 4.233 -1.649 -16.470 1.00 0.00 H new ATOM 0 HA2 GLY A 79 3.970 -2.337 -18.879 1.00 0.00 H new ATOM 0 HA3 GLY A 79 3.494 -0.675 -19.169 1.00 0.00 H new ATOM 1177 N HIS A 80 6.119 -0.377 -17.512 1.00 0.00 N ATOM 1178 CA HIS A 80 7.505 0.064 -17.471 1.00 0.00 C ATOM 1179 C HIS A 80 8.139 -0.106 -16.086 1.00 0.00 C ATOM 1180 O HIS A 80 9.355 0.028 -15.959 1.00 0.00 O ATOM 1181 CB HIS A 80 7.559 1.530 -17.911 1.00 0.00 C ATOM 1182 CG HIS A 80 8.959 2.054 -18.079 1.00 0.00 C ATOM 1183 ND1 HIS A 80 9.477 3.203 -17.526 1.00 0.00 N ATOM 1184 CD2 HIS A 80 9.957 1.473 -18.813 1.00 0.00 C ATOM 1185 CE1 HIS A 80 10.758 3.306 -17.923 1.00 0.00 C ATOM 1186 NE2 HIS A 80 11.102 2.273 -18.712 1.00 0.00 N ATOM 0 H HIS A 80 5.616 -0.244 -16.635 1.00 0.00 H new ATOM 0 HA HIS A 80 8.085 -0.562 -18.149 1.00 0.00 H new ATOM 0 HB2 HIS A 80 7.023 1.638 -18.854 1.00 0.00 H new ATOM 0 HB3 HIS A 80 7.036 2.142 -17.176 1.00 0.00 H new ATOM 0 HD2 HIS A 80 9.876 0.554 -19.375 1.00 0.00 H new ATOM 0 HE1 HIS A 80 11.422 4.111 -17.645 1.00 0.00 H new ATOM 0 HE2 HIS A 80 12.009 2.106 -19.147 1.00 0.00 H new ATOM 1194 N ARG A 81 7.349 -0.400 -15.042 1.00 0.00 N ATOM 1195 CA ARG A 81 7.905 -0.624 -13.712 1.00 0.00 C ATOM 1196 C ARG A 81 7.024 -1.554 -12.876 1.00 0.00 C ATOM 1197 O ARG A 81 5.802 -1.553 -13.002 1.00 0.00 O ATOM 1198 CB ARG A 81 8.100 0.723 -13.005 1.00 0.00 C ATOM 1199 CG ARG A 81 8.882 0.583 -11.693 1.00 0.00 C ATOM 1200 CD ARG A 81 10.313 0.097 -11.938 1.00 0.00 C ATOM 1201 NE ARG A 81 10.983 -0.228 -10.674 1.00 0.00 N ATOM 1202 CZ ARG A 81 12.298 -0.116 -10.466 1.00 0.00 C ATOM 1203 NH1 ARG A 81 13.105 0.359 -11.413 1.00 0.00 N ATOM 1204 NH2 ARG A 81 12.817 -0.484 -9.298 1.00 0.00 N ATOM 0 H ARG A 81 6.334 -0.486 -15.098 1.00 0.00 H new ATOM 0 HA ARG A 81 8.871 -1.117 -13.823 1.00 0.00 H new ATOM 0 HB2 ARG A 81 8.629 1.407 -13.669 1.00 0.00 H new ATOM 0 HB3 ARG A 81 7.126 1.167 -12.799 1.00 0.00 H new ATOM 0 HG2 ARG A 81 8.907 1.544 -11.179 1.00 0.00 H new ATOM 0 HG3 ARG A 81 8.367 -0.117 -11.035 1.00 0.00 H new ATOM 0 HD2 ARG A 81 10.297 -0.783 -12.581 1.00 0.00 H new ATOM 0 HD3 ARG A 81 10.877 0.867 -12.465 1.00 0.00 H new ATOM 0 HE ARG A 81 10.406 -0.562 -9.902 1.00 0.00 H new ATOM 0 HH11 ARG A 81 12.721 0.644 -12.314 1.00 0.00 H new ATOM 0 HH12 ARG A 81 14.107 0.438 -11.237 1.00 0.00 H new ATOM 0 HH21 ARG A 81 12.211 -0.851 -8.564 1.00 0.00 H new ATOM 0 HH22 ARG A 81 13.821 -0.400 -9.137 1.00 0.00 H new ATOM 1218 N TYR A 82 7.687 -2.341 -12.025 1.00 0.00 N ATOM 1219 CA TYR A 82 7.118 -3.357 -11.152 1.00 0.00 C ATOM 1220 C TYR A 82 6.364 -2.722 -9.990 1.00 0.00 C ATOM 1221 O TYR A 82 6.863 -1.814 -9.321 1.00 0.00 O ATOM 1222 CB TYR A 82 8.320 -4.197 -10.702 1.00 0.00 C ATOM 1223 CG TYR A 82 8.174 -5.290 -9.663 1.00 0.00 C ATOM 1224 CD1 TYR A 82 6.951 -5.890 -9.312 1.00 0.00 C ATOM 1225 CD2 TYR A 82 9.355 -5.708 -9.035 1.00 0.00 C ATOM 1226 CE1 TYR A 82 6.921 -6.895 -8.330 1.00 0.00 C ATOM 1227 CE2 TYR A 82 9.332 -6.703 -8.055 1.00 0.00 C ATOM 1228 CZ TYR A 82 8.111 -7.307 -7.700 1.00 0.00 C ATOM 1229 OH TYR A 82 8.080 -8.286 -6.751 1.00 0.00 O ATOM 0 H TYR A 82 8.700 -2.277 -11.925 1.00 0.00 H new ATOM 0 HA TYR A 82 6.374 -3.978 -11.651 1.00 0.00 H new ATOM 0 HB2 TYR A 82 8.734 -4.662 -11.596 1.00 0.00 H new ATOM 0 HB3 TYR A 82 9.071 -3.501 -10.327 1.00 0.00 H new ATOM 0 HD1 TYR A 82 6.037 -5.579 -9.796 1.00 0.00 H new ATOM 0 HD2 TYR A 82 10.295 -5.255 -9.312 1.00 0.00 H new ATOM 0 HE1 TYR A 82 5.982 -7.353 -8.058 1.00 0.00 H new ATOM 0 HE2 TYR A 82 10.248 -7.008 -7.571 1.00 0.00 H new ATOM 0 HH TYR A 82 7.788 -7.905 -5.897 1.00 0.00 H new ATOM 1239 N ILE A 83 5.145 -3.220 -9.764 1.00 0.00 N ATOM 1240 CA ILE A 83 4.279 -2.773 -8.690 1.00 0.00 C ATOM 1241 C ILE A 83 3.898 -3.987 -7.851 1.00 0.00 C ATOM 1242 O ILE A 83 4.164 -5.124 -8.236 1.00 0.00 O ATOM 1243 CB ILE A 83 2.999 -2.117 -9.236 1.00 0.00 C ATOM 1244 CG1 ILE A 83 3.197 -1.349 -10.547 1.00 0.00 C ATOM 1245 CG2 ILE A 83 2.406 -1.177 -8.179 1.00 0.00 C ATOM 1246 CD1 ILE A 83 4.081 -0.118 -10.388 1.00 0.00 C ATOM 0 H ILE A 83 4.733 -3.957 -10.336 1.00 0.00 H new ATOM 0 HA ILE A 83 4.810 -2.031 -8.094 1.00 0.00 H new ATOM 0 HB ILE A 83 2.315 -2.936 -9.460 1.00 0.00 H new ATOM 0 HG12 ILE A 83 3.640 -2.014 -11.288 1.00 0.00 H new ATOM 0 HG13 ILE A 83 2.225 -1.044 -10.933 1.00 0.00 H new ATOM 0 HG21 ILE A 83 1.500 -0.715 -8.570 1.00 0.00 H new ATOM 0 HG22 ILE A 83 2.165 -1.746 -7.281 1.00 0.00 H new ATOM 0 HG23 ILE A 83 3.132 -0.402 -7.933 1.00 0.00 H new ATOM 0 HD11 ILE A 83 4.183 0.383 -11.351 1.00 0.00 H new ATOM 0 HD12 ILE A 83 3.628 0.565 -9.670 1.00 0.00 H new ATOM 0 HD13 ILE A 83 5.065 -0.421 -10.030 1.00 0.00 H new ATOM 1258 N GLU A 84 3.272 -3.752 -6.703 1.00 0.00 N ATOM 1259 CA GLU A 84 2.855 -4.821 -5.818 1.00 0.00 C ATOM 1260 C GLU A 84 1.541 -4.465 -5.128 1.00 0.00 C ATOM 1261 O GLU A 84 1.279 -3.294 -4.858 1.00 0.00 O ATOM 1262 CB GLU A 84 3.951 -5.016 -4.776 1.00 0.00 C ATOM 1263 CG GLU A 84 4.900 -6.145 -5.156 1.00 0.00 C ATOM 1264 CD GLU A 84 5.885 -6.387 -4.015 1.00 0.00 C ATOM 1265 OE1 GLU A 84 5.423 -6.467 -2.855 1.00 0.00 O ATOM 1266 OE2 GLU A 84 7.094 -6.490 -4.311 1.00 0.00 O ATOM 0 H GLU A 84 3.042 -2.817 -6.365 1.00 0.00 H new ATOM 0 HA GLU A 84 2.697 -5.737 -6.388 1.00 0.00 H new ATOM 0 HB2 GLU A 84 4.515 -4.090 -4.664 1.00 0.00 H new ATOM 0 HB3 GLU A 84 3.498 -5.232 -3.808 1.00 0.00 H new ATOM 0 HG2 GLU A 84 4.336 -7.054 -5.363 1.00 0.00 H new ATOM 0 HG3 GLU A 84 5.439 -5.890 -6.068 1.00 0.00 H new ATOM 1273 N VAL A 85 0.725 -5.487 -4.845 1.00 0.00 N ATOM 1274 CA VAL A 85 -0.554 -5.334 -4.160 1.00 0.00 C ATOM 1275 C VAL A 85 -0.807 -6.567 -3.302 1.00 0.00 C ATOM 1276 O VAL A 85 -0.311 -7.652 -3.602 1.00 0.00 O ATOM 1277 CB VAL A 85 -1.720 -5.190 -5.149 1.00 0.00 C ATOM 1278 CG1 VAL A 85 -2.897 -4.481 -4.478 1.00 0.00 C ATOM 1279 CG2 VAL A 85 -1.334 -4.406 -6.400 1.00 0.00 C ATOM 0 H VAL A 85 0.941 -6.453 -5.090 1.00 0.00 H new ATOM 0 HA VAL A 85 -0.500 -4.430 -3.554 1.00 0.00 H new ATOM 0 HB VAL A 85 -1.997 -6.200 -5.450 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -3.717 -4.385 -5.189 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -3.229 -5.062 -3.617 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -2.585 -3.490 -4.148 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -2.195 -4.334 -7.065 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -1.010 -3.405 -6.116 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -0.521 -4.918 -6.914 1.00 0.00 H new ATOM 1289 N PHE A 86 -1.580 -6.398 -2.231 1.00 0.00 N ATOM 1290 CA PHE A 86 -1.916 -7.488 -1.328 1.00 0.00 C ATOM 1291 C PHE A 86 -3.180 -7.107 -0.565 1.00 0.00 C ATOM 1292 O PHE A 86 -3.450 -5.925 -0.367 1.00 0.00 O ATOM 1293 CB PHE A 86 -0.718 -7.708 -0.405 1.00 0.00 C ATOM 1294 CG PHE A 86 -0.699 -8.968 0.433 1.00 0.00 C ATOM 1295 CD1 PHE A 86 -1.461 -9.022 1.605 1.00 0.00 C ATOM 1296 CD2 PHE A 86 0.081 -10.076 0.058 1.00 0.00 C ATOM 1297 CE1 PHE A 86 -1.464 -10.174 2.400 1.00 0.00 C ATOM 1298 CE2 PHE A 86 0.072 -11.235 0.848 1.00 0.00 C ATOM 1299 CZ PHE A 86 -0.700 -11.285 2.019 1.00 0.00 C ATOM 0 H PHE A 86 -1.989 -5.501 -1.968 1.00 0.00 H new ATOM 0 HA PHE A 86 -2.119 -8.420 -1.855 1.00 0.00 H new ATOM 0 HB2 PHE A 86 0.184 -7.699 -1.017 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -0.653 -6.855 0.270 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -2.052 -8.167 1.899 1.00 0.00 H new ATOM 0 HD2 PHE A 86 0.686 -10.035 -0.836 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -2.053 -10.206 3.304 1.00 0.00 H new ATOM 0 HE2 PHE A 86 0.661 -12.091 0.554 1.00 0.00 H new ATOM 0 HZ PHE A 86 -0.705 -12.179 2.626 1.00 0.00 H new ATOM 1309 N LYS A 87 -3.959 -8.100 -0.134 1.00 0.00 N ATOM 1310 CA LYS A 87 -5.242 -7.848 0.503 1.00 0.00 C ATOM 1311 C LYS A 87 -5.050 -7.267 1.901 1.00 0.00 C ATOM 1312 O LYS A 87 -4.064 -7.555 2.571 1.00 0.00 O ATOM 1313 CB LYS A 87 -6.034 -9.153 0.536 1.00 0.00 C ATOM 1314 CG LYS A 87 -7.505 -8.863 0.814 1.00 0.00 C ATOM 1315 CD LYS A 87 -8.308 -10.160 0.884 1.00 0.00 C ATOM 1316 CE LYS A 87 -9.784 -9.835 1.109 1.00 0.00 C ATOM 1317 NZ LYS A 87 -10.576 -11.063 1.306 1.00 0.00 N ATOM 0 H LYS A 87 -3.718 -9.088 -0.217 1.00 0.00 H new ATOM 0 HA LYS A 87 -5.802 -7.108 -0.069 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -5.931 -9.675 -0.416 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -5.633 -9.812 1.306 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -7.602 -8.318 1.753 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -7.909 -8.222 0.031 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -8.186 -10.726 -0.040 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -7.935 -10.787 1.694 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -9.888 -9.188 1.980 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -10.172 -9.282 0.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -11.574 -10.812 1.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -10.494 -11.668 0.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -10.219 -11.577 2.137 1.00 0.00 H new ATOM 1331 N SER A 88 -5.999 -6.445 2.346 1.00 0.00 N ATOM 1332 CA SER A 88 -5.904 -5.796 3.646 1.00 0.00 C ATOM 1333 C SER A 88 -7.256 -5.778 4.358 1.00 0.00 C ATOM 1334 O SER A 88 -8.251 -6.291 3.850 1.00 0.00 O ATOM 1335 CB SER A 88 -5.343 -4.383 3.467 1.00 0.00 C ATOM 1336 OG SER A 88 -5.049 -3.806 4.722 1.00 0.00 O ATOM 0 H SER A 88 -6.843 -6.214 1.822 1.00 0.00 H new ATOM 0 HA SER A 88 -5.224 -6.366 4.280 1.00 0.00 H new ATOM 0 HB2 SER A 88 -4.441 -4.418 2.856 1.00 0.00 H new ATOM 0 HB3 SER A 88 -6.065 -3.763 2.935 1.00 0.00 H new ATOM 0 HG SER A 88 -4.690 -2.904 4.591 1.00 0.00 H new ATOM 1342 N HIS A 89 -7.276 -5.177 5.548 1.00 0.00 N ATOM 1343 CA HIS A 89 -8.443 -5.135 6.415 1.00 0.00 C ATOM 1344 C HIS A 89 -8.510 -3.817 7.189 1.00 0.00 C ATOM 1345 O HIS A 89 -9.337 -3.673 8.089 1.00 0.00 O ATOM 1346 CB HIS A 89 -8.381 -6.334 7.364 1.00 0.00 C ATOM 1347 CG HIS A 89 -7.039 -6.470 8.035 1.00 0.00 C ATOM 1348 ND1 HIS A 89 -6.696 -6.013 9.286 1.00 0.00 N ATOM 1349 CD2 HIS A 89 -5.930 -7.073 7.506 1.00 0.00 C ATOM 1350 CE1 HIS A 89 -5.403 -6.320 9.493 1.00 0.00 C ATOM 1351 NE2 HIS A 89 -4.890 -6.971 8.435 1.00 0.00 N ATOM 0 H HIS A 89 -6.464 -4.699 5.939 1.00 0.00 H new ATOM 0 HA HIS A 89 -9.350 -5.191 5.813 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -9.155 -6.232 8.125 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -8.599 -7.245 6.807 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -5.869 -7.546 6.537 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -4.851 -6.076 10.389 1.00 0.00 H new ATOM 0 HE2 HIS A 89 -3.937 -7.319 8.331 1.00 0.00 H new ATOM 1359 N ARG A 90 -7.639 -2.864 6.836 1.00 0.00 N ATOM 1360 CA ARG A 90 -7.651 -1.486 7.319 1.00 0.00 C ATOM 1361 C ARG A 90 -7.085 -1.328 8.731 1.00 0.00 C ATOM 1362 O ARG A 90 -6.608 -0.248 9.072 1.00 0.00 O ATOM 1363 CB ARG A 90 -9.070 -0.916 7.214 1.00 0.00 C ATOM 1364 CG ARG A 90 -9.034 0.611 7.157 1.00 0.00 C ATOM 1365 CD ARG A 90 -10.449 1.160 6.987 1.00 0.00 C ATOM 1366 NE ARG A 90 -10.417 2.603 6.742 1.00 0.00 N ATOM 1367 CZ ARG A 90 -10.891 3.544 7.563 1.00 0.00 C ATOM 1368 NH1 ARG A 90 -11.459 3.228 8.726 1.00 0.00 N ATOM 1369 NH2 ARG A 90 -10.791 4.821 7.207 1.00 0.00 N ATOM 0 H ARG A 90 -6.878 -3.043 6.180 1.00 0.00 H new ATOM 0 HA ARG A 90 -6.981 -0.913 6.678 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -9.560 -1.307 6.322 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -9.662 -1.239 8.070 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -8.588 1.007 8.070 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -8.406 0.938 6.328 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -10.943 0.656 6.156 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -11.036 0.951 7.881 1.00 0.00 H new ATOM 0 HE ARG A 90 -9.996 2.917 5.868 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -11.539 2.250 9.006 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -11.814 3.964 9.337 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -10.357 5.070 6.318 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -11.148 5.552 7.823 1.00 0.00 H new ATOM 1383 N THR A 91 -7.124 -2.376 9.559 1.00 0.00 N ATOM 1384 CA THR A 91 -6.546 -2.299 10.898 1.00 0.00 C ATOM 1385 C THR A 91 -5.026 -2.214 10.807 1.00 0.00 C ATOM 1386 O THR A 91 -4.398 -1.476 11.563 1.00 0.00 O ATOM 1387 CB THR A 91 -6.950 -3.526 11.718 1.00 0.00 C ATOM 1388 OG1 THR A 91 -8.357 -3.637 11.739 1.00 0.00 O ATOM 1389 CG2 THR A 91 -6.439 -3.399 13.150 1.00 0.00 C ATOM 0 H THR A 91 -7.545 -3.276 9.327 1.00 0.00 H new ATOM 0 HA THR A 91 -6.924 -1.404 11.392 1.00 0.00 H new ATOM 0 HB THR A 91 -6.513 -4.413 11.259 1.00 0.00 H new ATOM 0 HG1 THR A 91 -8.615 -4.424 12.263 1.00 0.00 H new ATOM 0 HG21 THR A 91 -6.734 -4.279 13.721 1.00 0.00 H new ATOM 0 HG22 THR A 91 -5.352 -3.319 13.143 1.00 0.00 H new ATOM 0 HG23 THR A 91 -6.865 -2.508 13.611 1.00 0.00 H new ATOM 1397 N GLU A 92 -4.431 -2.969 9.878 1.00 0.00 N ATOM 1398 CA GLU A 92 -2.998 -2.903 9.640 1.00 0.00 C ATOM 1399 C GLU A 92 -2.651 -1.552 9.037 1.00 0.00 C ATOM 1400 O GLU A 92 -1.642 -0.956 9.400 1.00 0.00 O ATOM 1401 CB GLU A 92 -2.600 -4.023 8.676 1.00 0.00 C ATOM 1402 CG GLU A 92 -1.082 -4.069 8.509 1.00 0.00 C ATOM 1403 CD GLU A 92 -0.654 -5.222 7.605 1.00 0.00 C ATOM 1404 OE1 GLU A 92 -0.912 -6.387 7.982 1.00 0.00 O ATOM 1405 OE2 GLU A 92 -0.068 -4.933 6.539 1.00 0.00 O ATOM 0 H GLU A 92 -4.926 -3.632 9.281 1.00 0.00 H new ATOM 0 HA GLU A 92 -2.457 -3.025 10.579 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -2.960 -4.980 9.053 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -3.074 -3.863 7.708 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -0.732 -3.126 8.088 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -0.610 -4.177 9.486 1.00 0.00 H new ATOM 1412 N MET A 93 -3.492 -1.076 8.115 1.00 0.00 N ATOM 1413 CA MET A 93 -3.263 0.185 7.436 1.00 0.00 C ATOM 1414 C MET A 93 -3.201 1.320 8.452 1.00 0.00 C ATOM 1415 O MET A 93 -2.301 2.151 8.388 1.00 0.00 O ATOM 1416 CB MET A 93 -4.380 0.389 6.408 1.00 0.00 C ATOM 1417 CG MET A 93 -4.191 1.665 5.585 1.00 0.00 C ATOM 1418 SD MET A 93 -4.685 3.206 6.401 1.00 0.00 S ATOM 1419 CE MET A 93 -6.470 2.929 6.519 1.00 0.00 C ATOM 0 H MET A 93 -4.344 -1.557 7.825 1.00 0.00 H new ATOM 0 HA MET A 93 -2.307 0.176 6.913 1.00 0.00 H new ATOM 0 HB2 MET A 93 -4.415 -0.470 5.738 1.00 0.00 H new ATOM 0 HB3 MET A 93 -5.340 0.431 6.922 1.00 0.00 H new ATOM 0 HG2 MET A 93 -3.140 1.744 5.306 1.00 0.00 H new ATOM 0 HG3 MET A 93 -4.759 1.567 4.660 1.00 0.00 H new ATOM 0 HE1 MET A 93 -6.978 3.883 6.659 1.00 0.00 H new ATOM 0 HE2 MET A 93 -6.827 2.459 5.602 1.00 0.00 H new ATOM 0 HE3 MET A 93 -6.682 2.277 7.367 1.00 0.00 H new ATOM 1429 N ASP A 94 -4.151 1.360 9.390 1.00 0.00 N ATOM 1430 CA ASP A 94 -4.241 2.434 10.367 1.00 0.00 C ATOM 1431 C ASP A 94 -3.036 2.450 11.302 1.00 0.00 C ATOM 1432 O ASP A 94 -2.621 3.509 11.769 1.00 0.00 O ATOM 1433 CB ASP A 94 -5.509 2.228 11.187 1.00 0.00 C ATOM 1434 CG ASP A 94 -5.751 3.389 12.149 1.00 0.00 C ATOM 1435 OD1 ASP A 94 -5.820 4.539 11.662 1.00 0.00 O ATOM 1436 OD2 ASP A 94 -5.865 3.117 13.366 1.00 0.00 O ATOM 0 H ASP A 94 -4.875 0.648 9.489 1.00 0.00 H new ATOM 0 HA ASP A 94 -4.263 3.387 9.838 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -6.363 2.125 10.518 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -5.432 1.298 11.750 1.00 0.00 H new ATOM 1441 N TRP A 95 -2.478 1.269 11.573 1.00 0.00 N ATOM 1442 CA TRP A 95 -1.370 1.132 12.503 1.00 0.00 C ATOM 1443 C TRP A 95 -0.078 1.731 11.952 1.00 0.00 C ATOM 1444 O TRP A 95 0.576 2.512 12.641 1.00 0.00 O ATOM 1445 CB TRP A 95 -1.169 -0.352 12.809 1.00 0.00 C ATOM 1446 CG TRP A 95 -0.044 -0.644 13.750 1.00 0.00 C ATOM 1447 CD1 TRP A 95 -0.117 -0.609 15.099 1.00 0.00 C ATOM 1448 CD2 TRP A 95 1.335 -1.013 13.441 1.00 0.00 C ATOM 1449 NE1 TRP A 95 1.113 -0.921 15.642 1.00 0.00 N ATOM 1450 CE2 TRP A 95 2.050 -1.173 14.662 1.00 0.00 C ATOM 1451 CE3 TRP A 95 2.055 -1.224 12.251 1.00 0.00 C ATOM 1452 CZ2 TRP A 95 3.407 -1.515 14.696 1.00 0.00 C ATOM 1453 CZ3 TRP A 95 3.416 -1.563 12.273 1.00 0.00 C ATOM 1454 CH2 TRP A 95 4.095 -1.708 13.492 1.00 0.00 C ATOM 0 H TRP A 95 -2.783 0.390 11.155 1.00 0.00 H new ATOM 0 HA TRP A 95 -1.614 1.682 13.412 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -2.091 -0.751 13.230 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -0.990 -0.882 11.873 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -1.005 -0.372 15.667 1.00 0.00 H new ATOM 0 HE1 TRP A 95 1.305 -0.960 16.643 1.00 0.00 H new ATOM 0 HE3 TRP A 95 1.550 -1.123 11.302 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 3.918 -1.629 15.641 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 3.945 -1.714 11.344 1.00 0.00 H new ATOM 0 HH2 TRP A 95 5.143 -1.967 13.502 1.00 0.00 H new ATOM 1465 N VAL A 96 0.299 1.379 10.719 1.00 0.00 N ATOM 1466 CA VAL A 96 1.552 1.848 10.134 1.00 0.00 C ATOM 1467 C VAL A 96 1.409 3.270 9.581 1.00 0.00 C ATOM 1468 O VAL A 96 2.407 3.950 9.360 1.00 0.00 O ATOM 1469 CB VAL A 96 2.027 0.853 9.070 1.00 0.00 C ATOM 1470 CG1 VAL A 96 0.943 0.616 8.035 1.00 0.00 C ATOM 1471 CG2 VAL A 96 3.328 1.293 8.401 1.00 0.00 C ATOM 0 H VAL A 96 -0.248 0.771 10.109 1.00 0.00 H new ATOM 0 HA VAL A 96 2.314 1.899 10.912 1.00 0.00 H new ATOM 0 HB VAL A 96 2.235 -0.087 9.582 1.00 0.00 H new ATOM 0 HG11 VAL A 96 1.301 -0.093 7.289 1.00 0.00 H new ATOM 0 HG12 VAL A 96 0.056 0.212 8.523 1.00 0.00 H new ATOM 0 HG13 VAL A 96 0.692 1.559 7.548 1.00 0.00 H new ATOM 0 HG21 VAL A 96 3.622 0.554 7.655 1.00 0.00 H new ATOM 0 HG22 VAL A 96 3.180 2.258 7.917 1.00 0.00 H new ATOM 0 HG23 VAL A 96 4.112 1.381 9.153 1.00 0.00 H new ATOM 1481 N LEU A 97 0.178 3.738 9.350 1.00 0.00 N ATOM 1482 CA LEU A 97 -0.054 5.121 8.951 1.00 0.00 C ATOM 1483 C LEU A 97 0.147 6.071 10.136 1.00 0.00 C ATOM 1484 O LEU A 97 0.052 7.286 9.966 1.00 0.00 O ATOM 1485 CB LEU A 97 -1.478 5.261 8.394 1.00 0.00 C ATOM 1486 CG LEU A 97 -1.547 5.392 6.871 1.00 0.00 C ATOM 1487 CD1 LEU A 97 -0.808 6.639 6.387 1.00 0.00 C ATOM 1488 CD2 LEU A 97 -0.974 4.159 6.181 1.00 0.00 C ATOM 0 H LEU A 97 -0.669 3.176 9.434 1.00 0.00 H new ATOM 0 HA LEU A 97 0.666 5.389 8.178 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -2.062 4.393 8.699 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -1.948 6.136 8.844 1.00 0.00 H new ATOM 0 HG LEU A 97 -2.601 5.483 6.608 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -0.875 6.703 5.301 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -1.260 7.525 6.832 1.00 0.00 H new ATOM 0 HD13 LEU A 97 0.239 6.579 6.682 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -1.038 4.284 5.100 1.00 0.00 H new ATOM 0 HD22 LEU A 97 0.069 4.032 6.470 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -1.543 3.278 6.479 1.00 0.00 H new ATOM 1500 N LYS A 98 0.422 5.530 11.331 1.00 0.00 N ATOM 1501 CA LYS A 98 0.588 6.309 12.549 1.00 0.00 C ATOM 1502 C LYS A 98 1.769 5.818 13.392 1.00 0.00 C ATOM 1503 O LYS A 98 1.996 6.330 14.487 1.00 0.00 O ATOM 1504 CB LYS A 98 -0.706 6.236 13.354 1.00 0.00 C ATOM 1505 CG LYS A 98 -1.841 6.911 12.583 1.00 0.00 C ATOM 1506 CD LYS A 98 -3.070 7.004 13.483 1.00 0.00 C ATOM 1507 CE LYS A 98 -4.209 7.746 12.779 1.00 0.00 C ATOM 1508 NZ LYS A 98 -4.657 7.036 11.565 1.00 0.00 N ATOM 0 H LYS A 98 0.535 4.526 11.472 1.00 0.00 H new ATOM 0 HA LYS A 98 0.806 7.341 12.274 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -0.961 5.195 13.555 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -0.571 6.723 14.320 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -1.536 7.906 12.259 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -2.076 6.341 11.684 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -3.400 6.002 13.760 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -2.811 7.521 14.407 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -5.048 7.858 13.465 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -3.879 8.750 12.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -5.504 7.503 11.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -3.900 7.054 10.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -4.884 6.049 11.804 1.00 0.00 H new