USER MOD reduce.3.24.130724 H: found=0, std=0, add=591, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 593 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 55 LYS NZ :NH3+ -132:sc= -0.0785 (180deg=-0.885) USER MOD Set 1.2: A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 34 GLN : amide:sc= -3.24! C(o=-2.1!,f=-5.2!) USER MOD Set 2.2: A 35 SER OG : rot -0:sc= 1.1 USER MOD Single : A 9 GLN : amide:sc= -0.714 K(o=-0.71,f=0) USER MOD Single : A 11 CYS SG : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 LYS NZ :NH3+ -127:sc= 0 (180deg=-0.00477) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 43 MET CE :methyl -165:sc= -0.874 (180deg=-1.26) USER MOD Single : A 44 LYS NZ :NH3+ -147:sc= 0 (180deg=-0.85) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= -1.31 K(o=-1.3,f=-10!) USER MOD Single : A 59 THR OG1 : rot 78:sc= 0.521 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.0128 USER MOD Single : A 63 ASN : amide:sc= -1.3! C(o=-1.3!,f=-2.1!) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= -0.105 USER MOD Single : A 66 HIS : no HD1:sc= -2.47! C(o=-2.5!,f=-2.9!) USER MOD Single : A 71 LYS NZ :NH3+ -135:sc= -0.285 (180deg=-0.686) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot -150:sc= -0.572 USER MOD ----------------------------------------------------------------- ATOM 66 N VAL A 8 -14.745 2.636 -7.280 1.00 0.00 N ATOM 67 CA VAL A 8 -13.931 3.184 -8.358 1.00 0.00 C ATOM 68 C VAL A 8 -12.462 3.253 -7.957 1.00 0.00 C ATOM 69 O VAL A 8 -12.116 3.834 -6.929 1.00 0.00 O ATOM 70 CB VAL A 8 -14.408 4.591 -8.763 1.00 0.00 C ATOM 71 CG1 VAL A 8 -14.771 5.407 -7.531 1.00 0.00 C ATOM 72 CG2 VAL A 8 -13.342 5.298 -9.586 1.00 0.00 C ATOM 0 HA VAL A 8 -14.041 2.513 -9.210 1.00 0.00 H new ATOM 0 HB VAL A 8 -15.302 4.490 -9.378 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -15.106 6.398 -7.837 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -15.571 4.906 -6.985 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -13.897 5.502 -6.887 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -13.696 6.291 -9.864 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -12.429 5.389 -8.997 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -13.136 4.721 -10.488 1.00 0.00 H new ATOM 82 N GLN A 9 -11.602 2.656 -8.776 1.00 0.00 N ATOM 83 CA GLN A 9 -10.169 2.651 -8.506 1.00 0.00 C ATOM 84 C GLN A 9 -9.497 3.881 -9.107 1.00 0.00 C ATOM 85 O GLN A 9 -9.959 4.426 -10.109 1.00 0.00 O ATOM 86 CB GLN A 9 -9.528 1.380 -9.066 1.00 0.00 C ATOM 87 CG GLN A 9 -9.606 1.276 -10.581 1.00 0.00 C ATOM 88 CD GLN A 9 -9.640 -0.160 -11.066 1.00 0.00 C ATOM 89 OE1 GLN A 9 -10.711 -0.739 -11.251 1.00 0.00 O ATOM 90 NE2 GLN A 9 -8.465 -0.742 -11.277 1.00 0.00 N ATOM 0 H GLN A 9 -11.872 2.170 -9.631 1.00 0.00 H new ATOM 0 HA GLN A 9 -10.028 2.675 -7.425 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -8.482 1.346 -8.761 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -10.017 0.512 -8.625 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -10.498 1.795 -10.932 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -8.748 1.784 -11.021 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -7.602 -0.224 -11.111 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -8.425 -1.707 -11.606 1.00 0.00 H new ATOM 99 N ARG A 10 -8.403 4.313 -8.487 1.00 0.00 N ATOM 100 CA ARG A 10 -7.668 5.480 -8.960 1.00 0.00 C ATOM 101 C ARG A 10 -6.205 5.133 -9.219 1.00 0.00 C ATOM 102 O ARG A 10 -5.758 4.025 -8.921 1.00 0.00 O ATOM 103 CB ARG A 10 -7.761 6.616 -7.940 1.00 0.00 C ATOM 104 CG ARG A 10 -9.158 7.201 -7.805 1.00 0.00 C ATOM 105 CD ARG A 10 -9.373 7.818 -6.432 1.00 0.00 C ATOM 106 NE ARG A 10 -8.741 9.130 -6.316 1.00 0.00 N ATOM 107 CZ ARG A 10 -8.626 9.792 -5.170 1.00 0.00 C ATOM 108 NH1 ARG A 10 -9.097 9.267 -4.047 1.00 0.00 N ATOM 109 NH2 ARG A 10 -8.038 10.981 -5.146 1.00 0.00 N ATOM 0 H ARG A 10 -8.007 3.873 -7.657 1.00 0.00 H new ATOM 0 HA ARG A 10 -8.118 5.806 -9.898 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -7.435 6.247 -6.967 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -7.071 7.409 -8.228 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -9.312 7.958 -8.574 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -9.899 6.420 -7.974 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -10.442 7.912 -6.240 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -8.970 7.153 -5.668 1.00 0.00 H new ATOM 0 HE ARG A 10 -8.367 9.561 -7.161 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -9.549 8.353 -4.062 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -9.007 9.777 -3.169 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -7.674 11.387 -6.008 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -7.950 11.489 -4.266 1.00 0.00 H new ATOM 123 N CYS A 11 -5.466 6.086 -9.776 1.00 0.00 N ATOM 124 CA CYS A 11 -4.054 5.881 -10.077 1.00 0.00 C ATOM 125 C CYS A 11 -3.182 6.841 -9.274 1.00 0.00 C ATOM 126 O CYS A 11 -3.316 8.059 -9.385 1.00 0.00 O ATOM 127 CB CYS A 11 -3.797 6.070 -11.573 1.00 0.00 C ATOM 128 SG CYS A 11 -4.599 4.835 -12.621 1.00 0.00 S ATOM 0 H CYS A 11 -5.821 7.008 -10.028 1.00 0.00 H new ATOM 0 HA CYS A 11 -3.793 4.860 -9.797 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -4.143 7.061 -11.868 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -2.722 6.041 -11.753 1.00 0.00 H new ATOM 0 HG CYS A 11 -4.325 5.080 -13.868 1.00 0.00 H new ATOM 134 N VAL A 12 -2.289 6.283 -8.462 1.00 0.00 N ATOM 135 CA VAL A 12 -1.396 7.088 -7.639 1.00 0.00 C ATOM 136 C VAL A 12 0.047 6.614 -7.768 1.00 0.00 C ATOM 137 O VAL A 12 0.313 5.413 -7.832 1.00 0.00 O ATOM 138 CB VAL A 12 -1.808 7.046 -6.155 1.00 0.00 C ATOM 139 CG1 VAL A 12 -1.528 5.673 -5.562 1.00 0.00 C ATOM 140 CG2 VAL A 12 -1.087 8.132 -5.371 1.00 0.00 C ATOM 0 H VAL A 12 -2.165 5.276 -8.357 1.00 0.00 H new ATOM 0 HA VAL A 12 -1.472 8.114 -8.000 1.00 0.00 H new ATOM 0 HB VAL A 12 -2.880 7.233 -6.088 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.825 5.662 -4.513 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.095 4.919 -6.108 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -0.463 5.453 -5.640 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -1.390 8.088 -4.325 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -0.010 7.979 -5.444 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -1.343 9.108 -5.782 1.00 0.00 H new ATOM 150 N ILE A 13 0.976 7.564 -7.804 1.00 0.00 N ATOM 151 CA ILE A 13 2.392 7.243 -7.923 1.00 0.00 C ATOM 152 C ILE A 13 3.208 7.943 -6.842 1.00 0.00 C ATOM 153 O ILE A 13 2.980 9.115 -6.540 1.00 0.00 O ATOM 154 CB ILE A 13 2.945 7.639 -9.305 1.00 0.00 C ATOM 155 CG1 ILE A 13 2.228 6.857 -10.409 1.00 0.00 C ATOM 156 CG2 ILE A 13 4.445 7.396 -9.366 1.00 0.00 C ATOM 157 CD1 ILE A 13 2.548 7.349 -11.803 1.00 0.00 C ATOM 0 H ILE A 13 0.773 8.562 -7.752 1.00 0.00 H new ATOM 0 HA ILE A 13 2.482 6.164 -7.800 1.00 0.00 H new ATOM 0 HB ILE A 13 2.763 8.702 -9.461 1.00 0.00 H new ATOM 0 HG12 ILE A 13 2.500 5.804 -10.333 1.00 0.00 H new ATOM 0 HG13 ILE A 13 1.152 6.921 -10.248 1.00 0.00 H new ATOM 0 HG21 ILE A 13 4.820 7.681 -10.349 1.00 0.00 H new ATOM 0 HG22 ILE A 13 4.942 7.993 -8.601 1.00 0.00 H new ATOM 0 HG23 ILE A 13 4.650 6.340 -9.192 1.00 0.00 H new ATOM 0 HD11 ILE A 13 2.006 6.749 -12.534 1.00 0.00 H new ATOM 0 HD12 ILE A 13 2.250 8.393 -11.898 1.00 0.00 H new ATOM 0 HD13 ILE A 13 3.619 7.259 -11.984 1.00 0.00 H new ATOM 169 N ILE A 14 4.160 7.219 -6.264 1.00 0.00 N ATOM 170 CA ILE A 14 5.012 7.772 -5.219 1.00 0.00 C ATOM 171 C ILE A 14 6.477 7.767 -5.643 1.00 0.00 C ATOM 172 O ILE A 14 7.012 6.735 -6.046 1.00 0.00 O ATOM 173 CB ILE A 14 4.868 6.987 -3.902 1.00 0.00 C ATOM 174 CG1 ILE A 14 3.398 6.911 -3.486 1.00 0.00 C ATOM 175 CG2 ILE A 14 5.701 7.635 -2.806 1.00 0.00 C ATOM 176 CD1 ILE A 14 3.108 5.810 -2.489 1.00 0.00 C ATOM 0 H ILE A 14 4.361 6.248 -6.502 1.00 0.00 H new ATOM 0 HA ILE A 14 4.687 8.800 -5.058 1.00 0.00 H new ATOM 0 HB ILE A 14 5.234 5.973 -4.059 1.00 0.00 H new ATOM 0 HG12 ILE A 14 3.101 7.867 -3.056 1.00 0.00 H new ATOM 0 HG13 ILE A 14 2.785 6.757 -4.374 1.00 0.00 H new ATOM 0 HG21 ILE A 14 5.589 7.069 -1.881 1.00 0.00 H new ATOM 0 HG22 ILE A 14 6.750 7.642 -3.102 1.00 0.00 H new ATOM 0 HG23 ILE A 14 5.362 8.659 -2.648 1.00 0.00 H new ATOM 0 HD11 ILE A 14 2.047 5.815 -2.239 1.00 0.00 H new ATOM 0 HD12 ILE A 14 3.374 4.846 -2.924 1.00 0.00 H new ATOM 0 HD13 ILE A 14 3.694 5.974 -1.585 1.00 0.00 H new ATOM 188 N GLN A 15 7.118 8.927 -5.548 1.00 0.00 N ATOM 189 CA GLN A 15 8.522 9.056 -5.921 1.00 0.00 C ATOM 190 C GLN A 15 9.410 9.126 -4.684 1.00 0.00 C ATOM 191 O GLN A 15 9.290 10.043 -3.871 1.00 0.00 O ATOM 192 CB GLN A 15 8.730 10.301 -6.784 1.00 0.00 C ATOM 193 CG GLN A 15 8.621 11.604 -6.008 1.00 0.00 C ATOM 194 CD GLN A 15 8.392 12.802 -6.908 1.00 0.00 C ATOM 195 OE1 GLN A 15 9.288 13.622 -7.110 1.00 0.00 O ATOM 196 NE2 GLN A 15 7.186 12.910 -7.455 1.00 0.00 N ATOM 0 H GLN A 15 6.688 9.791 -5.216 1.00 0.00 H new ATOM 0 HA GLN A 15 8.801 8.173 -6.496 1.00 0.00 H new ATOM 0 HB2 GLN A 15 9.713 10.248 -7.253 1.00 0.00 H new ATOM 0 HB3 GLN A 15 7.993 10.303 -7.587 1.00 0.00 H new ATOM 0 HG2 GLN A 15 7.801 11.529 -5.293 1.00 0.00 H new ATOM 0 HG3 GLN A 15 9.533 11.757 -5.432 1.00 0.00 H new ATOM 0 HE21 GLN A 15 6.473 12.207 -7.260 1.00 0.00 H new ATOM 0 HE22 GLN A 15 6.973 13.696 -8.070 1.00 0.00 H new ATOM 205 N LYS A 16 10.302 8.151 -4.545 1.00 0.00 N ATOM 206 CA LYS A 16 11.212 8.101 -3.407 1.00 0.00 C ATOM 207 C LYS A 16 12.078 9.356 -3.348 1.00 0.00 C ATOM 208 O LYS A 16 12.086 10.161 -4.279 1.00 0.00 O ATOM 209 CB LYS A 16 12.101 6.859 -3.492 1.00 0.00 C ATOM 210 CG LYS A 16 13.025 6.853 -4.698 1.00 0.00 C ATOM 211 CD LYS A 16 14.351 7.529 -4.387 1.00 0.00 C ATOM 212 CE LYS A 16 15.309 7.445 -5.566 1.00 0.00 C ATOM 213 NZ LYS A 16 14.881 8.321 -6.692 1.00 0.00 N ATOM 0 H LYS A 16 10.414 7.384 -5.208 1.00 0.00 H new ATOM 0 HA LYS A 16 10.614 8.050 -2.497 1.00 0.00 H new ATOM 0 HB2 LYS A 16 12.701 6.789 -2.585 1.00 0.00 H new ATOM 0 HB3 LYS A 16 11.469 5.972 -3.525 1.00 0.00 H new ATOM 0 HG2 LYS A 16 13.205 5.826 -5.015 1.00 0.00 H new ATOM 0 HG3 LYS A 16 12.541 7.364 -5.531 1.00 0.00 H new ATOM 0 HD2 LYS A 16 14.177 8.574 -4.132 1.00 0.00 H new ATOM 0 HD3 LYS A 16 14.804 7.059 -3.514 1.00 0.00 H new ATOM 0 HE2 LYS A 16 16.309 7.732 -5.242 1.00 0.00 H new ATOM 0 HE3 LYS A 16 15.370 6.413 -5.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 14.830 7.761 -7.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 13.945 8.723 -6.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 15.569 9.091 -6.813 1.00 0.00 H new ATOM 281 N PHE A 21 11.411 5.995 0.174 1.00 0.00 N ATOM 282 CA PHE A 21 9.986 6.000 0.482 1.00 0.00 C ATOM 283 C PHE A 21 9.756 6.062 1.990 1.00 0.00 C ATOM 284 O PHE A 21 10.692 5.929 2.777 1.00 0.00 O ATOM 285 CB PHE A 21 9.312 4.755 -0.097 1.00 0.00 C ATOM 286 CG PHE A 21 9.668 4.494 -1.533 1.00 0.00 C ATOM 287 CD1 PHE A 21 8.993 5.140 -2.556 1.00 0.00 C ATOM 288 CD2 PHE A 21 10.678 3.603 -1.859 1.00 0.00 C ATOM 289 CE1 PHE A 21 9.318 4.900 -3.878 1.00 0.00 C ATOM 290 CE2 PHE A 21 11.007 3.360 -3.179 1.00 0.00 C ATOM 291 CZ PHE A 21 10.327 4.011 -4.190 1.00 0.00 C ATOM 0 HA PHE A 21 9.545 6.887 0.027 1.00 0.00 H new ATOM 0 HB2 PHE A 21 9.592 3.888 0.502 1.00 0.00 H new ATOM 0 HB3 PHE A 21 8.231 4.865 -0.013 1.00 0.00 H new ATOM 0 HD1 PHE A 21 8.204 5.839 -2.318 1.00 0.00 H new ATOM 0 HD2 PHE A 21 11.214 3.093 -1.073 1.00 0.00 H new ATOM 0 HE1 PHE A 21 8.783 5.408 -4.667 1.00 0.00 H new ATOM 0 HE2 PHE A 21 11.795 2.662 -3.420 1.00 0.00 H new ATOM 0 HZ PHE A 21 10.584 3.825 -5.222 1.00 0.00 H new ATOM 301 N GLY A 22 8.502 6.266 2.383 1.00 0.00 N ATOM 302 CA GLY A 22 8.171 6.343 3.794 1.00 0.00 C ATOM 303 C GLY A 22 6.851 5.672 4.117 1.00 0.00 C ATOM 304 O GLY A 22 6.113 6.127 4.991 1.00 0.00 O ATOM 0 H GLY A 22 7.710 6.379 1.750 1.00 0.00 H new ATOM 0 HA2 GLY A 22 8.965 5.875 4.376 1.00 0.00 H new ATOM 0 HA3 GLY A 22 8.127 7.389 4.097 1.00 0.00 H new ATOM 308 N PHE A 23 6.551 4.589 3.409 1.00 0.00 N ATOM 309 CA PHE A 23 5.308 3.855 3.623 1.00 0.00 C ATOM 310 C PHE A 23 5.568 2.353 3.688 1.00 0.00 C ATOM 311 O PHE A 23 6.451 1.833 3.005 1.00 0.00 O ATOM 312 CB PHE A 23 4.310 4.164 2.505 1.00 0.00 C ATOM 313 CG PHE A 23 4.510 3.327 1.275 1.00 0.00 C ATOM 314 CD1 PHE A 23 5.601 3.539 0.446 1.00 0.00 C ATOM 315 CD2 PHE A 23 3.609 2.327 0.946 1.00 0.00 C ATOM 316 CE1 PHE A 23 5.787 2.770 -0.687 1.00 0.00 C ATOM 317 CE2 PHE A 23 3.790 1.555 -0.186 1.00 0.00 C ATOM 318 CZ PHE A 23 4.881 1.777 -1.003 1.00 0.00 C ATOM 0 H PHE A 23 7.151 4.199 2.682 1.00 0.00 H new ATOM 0 HA PHE A 23 4.886 4.174 4.576 1.00 0.00 H new ATOM 0 HB2 PHE A 23 3.298 4.009 2.879 1.00 0.00 H new ATOM 0 HB3 PHE A 23 4.393 5.217 2.236 1.00 0.00 H new ATOM 0 HD1 PHE A 23 6.313 4.314 0.688 1.00 0.00 H new ATOM 0 HD2 PHE A 23 2.755 2.149 1.582 1.00 0.00 H new ATOM 0 HE1 PHE A 23 6.641 2.946 -1.325 1.00 0.00 H new ATOM 0 HE2 PHE A 23 3.079 0.779 -0.431 1.00 0.00 H new ATOM 0 HZ PHE A 23 5.025 1.175 -1.888 1.00 0.00 H new ATOM 328 N THR A 24 4.791 1.660 4.515 1.00 0.00 N ATOM 329 CA THR A 24 4.937 0.218 4.672 1.00 0.00 C ATOM 330 C THR A 24 3.594 -0.489 4.529 1.00 0.00 C ATOM 331 O THR A 24 2.577 -0.020 5.039 1.00 0.00 O ATOM 332 CB THR A 24 5.549 -0.139 6.039 1.00 0.00 C ATOM 333 OG1 THR A 24 4.738 0.391 7.093 1.00 0.00 O ATOM 334 CG2 THR A 24 6.964 0.407 6.158 1.00 0.00 C ATOM 0 H THR A 24 4.054 2.074 5.086 1.00 0.00 H new ATOM 0 HA THR A 24 5.608 -0.120 3.882 1.00 0.00 H new ATOM 0 HB THR A 24 5.587 -1.225 6.122 1.00 0.00 H new ATOM 0 HG1 THR A 24 5.133 0.158 7.959 1.00 0.00 H new ATOM 0 HG21 THR A 24 7.375 0.142 7.132 1.00 0.00 H new ATOM 0 HG22 THR A 24 7.587 -0.021 5.372 1.00 0.00 H new ATOM 0 HG23 THR A 24 6.945 1.492 6.055 1.00 0.00 H new ATOM 342 N VAL A 25 3.598 -1.621 3.832 1.00 0.00 N ATOM 343 CA VAL A 25 2.379 -2.394 3.623 1.00 0.00 C ATOM 344 C VAL A 25 2.486 -3.772 4.267 1.00 0.00 C ATOM 345 O VAL A 25 3.542 -4.153 4.771 1.00 0.00 O ATOM 346 CB VAL A 25 2.072 -2.563 2.123 1.00 0.00 C ATOM 347 CG1 VAL A 25 1.493 -1.279 1.549 1.00 0.00 C ATOM 348 CG2 VAL A 25 3.324 -2.979 1.367 1.00 0.00 C ATOM 0 H VAL A 25 4.431 -2.023 3.403 1.00 0.00 H new ATOM 0 HA VAL A 25 1.567 -1.838 4.092 1.00 0.00 H new ATOM 0 HB VAL A 25 1.328 -3.351 2.008 1.00 0.00 H new ATOM 0 HG11 VAL A 25 1.282 -1.417 0.489 1.00 0.00 H new ATOM 0 HG12 VAL A 25 0.570 -1.030 2.073 1.00 0.00 H new ATOM 0 HG13 VAL A 25 2.211 -0.468 1.674 1.00 0.00 H new ATOM 0 HG21 VAL A 25 3.089 -3.094 0.309 1.00 0.00 H new ATOM 0 HG22 VAL A 25 4.092 -2.215 1.487 1.00 0.00 H new ATOM 0 HG23 VAL A 25 3.690 -3.927 1.762 1.00 0.00 H new ATOM 358 N SER A 26 1.384 -4.515 4.247 1.00 0.00 N ATOM 359 CA SER A 26 1.352 -5.850 4.832 1.00 0.00 C ATOM 360 C SER A 26 0.112 -6.613 4.377 1.00 0.00 C ATOM 361 O SER A 26 -0.954 -6.030 4.184 1.00 0.00 O ATOM 362 CB SER A 26 1.378 -5.762 6.359 1.00 0.00 C ATOM 363 OG SER A 26 1.951 -6.927 6.928 1.00 0.00 O ATOM 0 H SER A 26 0.502 -4.215 3.832 1.00 0.00 H new ATOM 0 HA SER A 26 2.235 -6.390 4.491 1.00 0.00 H new ATOM 0 HB2 SER A 26 1.948 -4.885 6.666 1.00 0.00 H new ATOM 0 HB3 SER A 26 0.364 -5.631 6.736 1.00 0.00 H new ATOM 0 HG SER A 26 1.957 -6.845 7.905 1.00 0.00 H new ATOM 369 N GLY A 27 0.259 -7.924 4.208 1.00 0.00 N ATOM 370 CA GLY A 27 -0.856 -8.747 3.777 1.00 0.00 C ATOM 371 C GLY A 27 -0.476 -9.700 2.662 1.00 0.00 C ATOM 372 O GLY A 27 -0.029 -9.274 1.597 1.00 0.00 O ATOM 0 H GLY A 27 1.131 -8.431 4.362 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -1.232 -9.318 4.626 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -1.669 -8.104 3.440 1.00 0.00 H new ATOM 376 N ASP A 28 -0.651 -10.994 2.906 1.00 0.00 N ATOM 377 CA ASP A 28 -0.323 -12.011 1.914 1.00 0.00 C ATOM 378 C ASP A 28 -1.275 -11.937 0.724 1.00 0.00 C ATOM 379 O ASP A 28 -0.844 -11.791 -0.420 1.00 0.00 O ATOM 380 CB ASP A 28 -0.380 -13.404 2.543 1.00 0.00 C ATOM 381 CG ASP A 28 -1.646 -13.625 3.347 1.00 0.00 C ATOM 382 OD1 ASP A 28 -2.670 -14.012 2.746 1.00 0.00 O ATOM 383 OD2 ASP A 28 -1.614 -13.411 4.577 1.00 0.00 O ATOM 0 H ASP A 28 -1.018 -11.364 3.783 1.00 0.00 H new ATOM 0 HA ASP A 28 0.690 -11.823 1.558 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -0.316 -14.157 1.758 1.00 0.00 H new ATOM 0 HB3 ASP A 28 0.486 -13.543 3.190 1.00 0.00 H new ATOM 388 N ARG A 29 -2.570 -12.040 1.002 1.00 0.00 N ATOM 389 CA ARG A 29 -3.583 -11.987 -0.045 1.00 0.00 C ATOM 390 C ARG A 29 -4.235 -10.608 -0.102 1.00 0.00 C ATOM 391 O ARG A 29 -4.522 -10.091 -1.182 1.00 0.00 O ATOM 392 CB ARG A 29 -4.649 -13.058 0.192 1.00 0.00 C ATOM 393 CG ARG A 29 -5.597 -13.244 -0.982 1.00 0.00 C ATOM 394 CD ARG A 29 -6.442 -14.498 -0.822 1.00 0.00 C ATOM 395 NE ARG A 29 -6.981 -14.962 -2.098 1.00 0.00 N ATOM 396 CZ ARG A 29 -7.954 -15.860 -2.202 1.00 0.00 C ATOM 397 NH1 ARG A 29 -8.493 -16.388 -1.111 1.00 0.00 N ATOM 398 NH2 ARG A 29 -8.391 -16.231 -3.398 1.00 0.00 N ATOM 0 H ARG A 29 -2.943 -12.161 1.944 1.00 0.00 H new ATOM 0 HA ARG A 29 -3.093 -12.178 -1.000 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -4.157 -14.007 0.405 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -5.228 -12.793 1.077 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -6.248 -12.374 -1.067 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -5.024 -13.305 -1.907 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -5.838 -15.288 -0.375 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -7.263 -14.297 -0.134 1.00 0.00 H new ATOM 0 HE ARG A 29 -6.589 -14.575 -2.956 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -8.160 -16.105 -0.189 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -9.240 -17.077 -1.194 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -7.980 -15.827 -4.239 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -9.138 -16.921 -3.477 1.00 0.00 H new ATOM 412 N ILE A 30 -4.465 -10.020 1.067 1.00 0.00 N ATOM 413 CA ILE A 30 -5.083 -8.702 1.149 1.00 0.00 C ATOM 414 C ILE A 30 -4.072 -7.649 1.591 1.00 0.00 C ATOM 415 O ILE A 30 -4.049 -7.245 2.754 1.00 0.00 O ATOM 416 CB ILE A 30 -6.272 -8.698 2.127 1.00 0.00 C ATOM 417 CG1 ILE A 30 -7.326 -9.717 1.687 1.00 0.00 C ATOM 418 CG2 ILE A 30 -6.879 -7.306 2.218 1.00 0.00 C ATOM 419 CD1 ILE A 30 -7.952 -9.398 0.347 1.00 0.00 C ATOM 0 H ILE A 30 -4.233 -10.435 1.970 1.00 0.00 H new ATOM 0 HA ILE A 30 -5.445 -8.459 0.150 1.00 0.00 H new ATOM 0 HB ILE A 30 -5.911 -8.981 3.116 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -6.867 -10.705 1.639 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -8.110 -9.766 2.443 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -7.718 -7.320 2.913 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -6.125 -6.603 2.573 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -7.229 -6.996 1.233 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -8.689 -10.162 0.099 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -8.440 -8.425 0.396 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -7.178 -9.378 -0.420 1.00 0.00 H new ATOM 431 N VAL A 31 -3.240 -7.206 0.654 1.00 0.00 N ATOM 432 CA VAL A 31 -2.228 -6.197 0.946 1.00 0.00 C ATOM 433 C VAL A 31 -2.870 -4.893 1.405 1.00 0.00 C ATOM 434 O VAL A 31 -3.780 -4.373 0.757 1.00 0.00 O ATOM 435 CB VAL A 31 -1.345 -5.916 -0.284 1.00 0.00 C ATOM 436 CG1 VAL A 31 -0.251 -4.917 0.060 1.00 0.00 C ATOM 437 CG2 VAL A 31 -0.748 -7.210 -0.818 1.00 0.00 C ATOM 0 H VAL A 31 -3.247 -7.530 -0.313 1.00 0.00 H new ATOM 0 HA VAL A 31 -1.606 -6.595 1.748 1.00 0.00 H new ATOM 0 HB VAL A 31 -1.969 -5.481 -1.065 1.00 0.00 H new ATOM 0 HG11 VAL A 31 0.362 -4.731 -0.822 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -0.703 -3.982 0.391 1.00 0.00 H new ATOM 0 HG13 VAL A 31 0.373 -5.321 0.857 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -0.127 -6.993 -1.687 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -0.139 -7.676 -0.044 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -1.550 -7.889 -1.106 1.00 0.00 H new ATOM 447 N LEU A 32 -2.391 -4.367 2.527 1.00 0.00 N ATOM 448 CA LEU A 32 -2.917 -3.121 3.074 1.00 0.00 C ATOM 449 C LEU A 32 -1.797 -2.268 3.660 1.00 0.00 C ATOM 450 O LEU A 32 -0.846 -2.788 4.243 1.00 0.00 O ATOM 451 CB LEU A 32 -3.964 -3.416 4.149 1.00 0.00 C ATOM 452 CG LEU A 32 -5.344 -3.839 3.644 1.00 0.00 C ATOM 453 CD1 LEU A 32 -6.240 -4.235 4.807 1.00 0.00 C ATOM 454 CD2 LEU A 32 -5.982 -2.720 2.834 1.00 0.00 C ATOM 0 H LEU A 32 -1.639 -4.784 3.076 1.00 0.00 H new ATOM 0 HA LEU A 32 -3.385 -2.565 2.262 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -3.579 -4.204 4.796 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.082 -2.526 4.766 1.00 0.00 H new ATOM 0 HG LEU A 32 -5.222 -4.706 2.995 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -7.218 -4.533 4.428 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.790 -5.069 5.345 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -6.356 -3.387 5.482 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -6.963 -3.039 2.483 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -6.091 -1.834 3.460 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.349 -2.484 1.978 1.00 0.00 H new ATOM 466 N VAL A 33 -1.917 -0.953 3.503 1.00 0.00 N ATOM 467 CA VAL A 33 -0.917 -0.027 4.019 1.00 0.00 C ATOM 468 C VAL A 33 -0.893 -0.037 5.543 1.00 0.00 C ATOM 469 O VAL A 33 -1.873 0.328 6.191 1.00 0.00 O ATOM 470 CB VAL A 33 -1.178 1.410 3.530 1.00 0.00 C ATOM 471 CG1 VAL A 33 -0.147 2.367 4.110 1.00 0.00 C ATOM 472 CG2 VAL A 33 -1.173 1.465 2.010 1.00 0.00 C ATOM 0 H VAL A 33 -2.697 -0.506 3.022 1.00 0.00 H new ATOM 0 HA VAL A 33 0.049 -0.362 3.641 1.00 0.00 H new ATOM 0 HB VAL A 33 -2.163 1.720 3.878 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.347 3.377 3.753 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -0.205 2.348 5.198 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.851 2.062 3.794 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.359 2.488 1.682 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.203 1.135 1.637 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -1.953 0.811 1.620 1.00 0.00 H new ATOM 482 N GLN A 34 0.234 -0.458 6.109 1.00 0.00 N ATOM 483 CA GLN A 34 0.385 -0.516 7.558 1.00 0.00 C ATOM 484 C GLN A 34 0.427 0.886 8.157 1.00 0.00 C ATOM 485 O GLN A 34 -0.333 1.204 9.072 1.00 0.00 O ATOM 486 CB GLN A 34 1.657 -1.280 7.929 1.00 0.00 C ATOM 487 CG GLN A 34 1.615 -1.895 9.319 1.00 0.00 C ATOM 488 CD GLN A 34 0.965 -0.982 10.340 1.00 0.00 C ATOM 489 OE1 GLN A 34 -0.256 -0.830 10.367 1.00 0.00 O ATOM 490 NE2 GLN A 34 1.781 -0.369 11.190 1.00 0.00 N ATOM 0 H GLN A 34 1.055 -0.764 5.586 1.00 0.00 H new ATOM 0 HA GLN A 34 -0.478 -1.041 7.968 1.00 0.00 H new ATOM 0 HB2 GLN A 34 1.823 -2.070 7.196 1.00 0.00 H new ATOM 0 HB3 GLN A 34 2.509 -0.603 7.866 1.00 0.00 H new ATOM 0 HG2 GLN A 34 1.068 -2.837 9.279 1.00 0.00 H new ATOM 0 HG3 GLN A 34 2.630 -2.129 9.640 1.00 0.00 H new ATOM 0 HE21 GLN A 34 2.788 -0.524 11.132 1.00 0.00 H new ATOM 0 HE22 GLN A 34 1.401 0.256 11.901 1.00 0.00 H new ATOM 499 N SER A 35 1.321 1.721 7.636 1.00 0.00 N ATOM 500 CA SER A 35 1.465 3.088 8.123 1.00 0.00 C ATOM 501 C SER A 35 2.171 3.961 7.090 1.00 0.00 C ATOM 502 O SER A 35 2.913 3.463 6.242 1.00 0.00 O ATOM 503 CB SER A 35 2.244 3.104 9.439 1.00 0.00 C ATOM 504 OG SER A 35 1.476 2.550 10.493 1.00 0.00 O ATOM 0 H SER A 35 1.956 1.475 6.877 1.00 0.00 H new ATOM 0 HA SER A 35 0.468 3.493 8.295 1.00 0.00 H new ATOM 0 HB2 SER A 35 3.170 2.540 9.324 1.00 0.00 H new ATOM 0 HB3 SER A 35 2.523 4.128 9.688 1.00 0.00 H new ATOM 0 HG SER A 35 0.599 2.277 10.150 1.00 0.00 H new ATOM 510 N VAL A 36 1.935 5.267 7.167 1.00 0.00 N ATOM 511 CA VAL A 36 2.549 6.210 6.240 1.00 0.00 C ATOM 512 C VAL A 36 3.235 7.348 6.988 1.00 0.00 C ATOM 513 O VAL A 36 2.711 7.857 7.980 1.00 0.00 O ATOM 514 CB VAL A 36 1.508 6.802 5.271 1.00 0.00 C ATOM 515 CG1 VAL A 36 2.140 7.876 4.399 1.00 0.00 C ATOM 516 CG2 VAL A 36 0.892 5.705 4.416 1.00 0.00 C ATOM 0 H VAL A 36 1.323 5.696 7.862 1.00 0.00 H new ATOM 0 HA VAL A 36 3.292 5.654 5.669 1.00 0.00 H new ATOM 0 HB VAL A 36 0.714 7.264 5.857 1.00 0.00 H new ATOM 0 HG11 VAL A 36 1.389 8.282 3.721 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.529 8.675 5.030 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.955 7.442 3.820 1.00 0.00 H new ATOM 0 HG21 VAL A 36 0.159 6.141 3.737 1.00 0.00 H new ATOM 0 HG22 VAL A 36 1.674 5.212 3.838 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.401 4.975 5.059 1.00 0.00 H new ATOM 526 N ARG A 37 4.409 7.742 6.507 1.00 0.00 N ATOM 527 CA ARG A 37 5.168 8.819 7.131 1.00 0.00 C ATOM 528 C ARG A 37 4.457 10.158 6.953 1.00 0.00 C ATOM 529 O ARG A 37 3.988 10.501 5.868 1.00 0.00 O ATOM 530 CB ARG A 37 6.574 8.893 6.534 1.00 0.00 C ATOM 531 CG ARG A 37 7.574 9.621 7.417 1.00 0.00 C ATOM 532 CD ARG A 37 7.931 8.801 8.647 1.00 0.00 C ATOM 533 NE ARG A 37 8.611 9.602 9.661 1.00 0.00 N ATOM 534 CZ ARG A 37 9.879 9.986 9.565 1.00 0.00 C ATOM 535 NH1 ARG A 37 10.601 9.645 8.507 1.00 0.00 N ATOM 536 NH2 ARG A 37 10.428 10.715 10.530 1.00 0.00 N ATOM 0 H ARG A 37 4.856 7.332 5.687 1.00 0.00 H new ATOM 0 HA ARG A 37 5.244 8.606 8.197 1.00 0.00 H new ATOM 0 HB2 ARG A 37 6.935 7.881 6.349 1.00 0.00 H new ATOM 0 HB3 ARG A 37 6.523 9.395 5.568 1.00 0.00 H new ATOM 0 HG2 ARG A 37 8.477 9.835 6.846 1.00 0.00 H new ATOM 0 HG3 ARG A 37 7.158 10.580 7.726 1.00 0.00 H new ATOM 0 HD2 ARG A 37 7.024 8.372 9.072 1.00 0.00 H new ATOM 0 HD3 ARG A 37 8.570 7.968 8.354 1.00 0.00 H new ATOM 0 HE ARG A 37 8.084 9.882 10.488 1.00 0.00 H new ATOM 0 HH11 ARG A 37 10.183 9.086 7.763 1.00 0.00 H new ATOM 0 HH12 ARG A 37 11.574 9.942 8.437 1.00 0.00 H new ATOM 0 HH21 ARG A 37 9.876 10.980 11.346 1.00 0.00 H new ATOM 0 HH22 ARG A 37 11.402 11.009 10.456 1.00 0.00 H new ATOM 550 N PRO A 38 4.375 10.934 8.045 1.00 0.00 N ATOM 551 CA PRO A 38 3.723 12.247 8.035 1.00 0.00 C ATOM 552 C PRO A 38 4.514 13.280 7.240 1.00 0.00 C ATOM 553 O PRO A 38 4.096 14.430 7.111 1.00 0.00 O ATOM 554 CB PRO A 38 3.679 12.631 9.516 1.00 0.00 C ATOM 555 CG PRO A 38 4.804 11.878 10.137 1.00 0.00 C ATOM 556 CD PRO A 38 4.912 10.589 9.372 1.00 0.00 C ATOM 0 HA PRO A 38 2.743 12.213 7.560 1.00 0.00 H new ATOM 0 HB2 PRO A 38 3.801 13.706 9.650 1.00 0.00 H new ATOM 0 HB3 PRO A 38 2.725 12.360 9.967 1.00 0.00 H new ATOM 0 HG2 PRO A 38 5.733 12.446 10.078 1.00 0.00 H new ATOM 0 HG3 PRO A 38 4.612 11.690 11.193 1.00 0.00 H new ATOM 0 HD2 PRO A 38 5.944 10.243 9.310 1.00 0.00 H new ATOM 0 HD3 PRO A 38 4.337 9.792 9.844 1.00 0.00 H new ATOM 564 N GLY A 39 5.659 12.863 6.709 1.00 0.00 N ATOM 565 CA GLY A 39 6.490 13.765 5.933 1.00 0.00 C ATOM 566 C GLY A 39 7.394 13.031 4.963 1.00 0.00 C ATOM 567 O GLY A 39 8.577 13.347 4.846 1.00 0.00 O ATOM 0 H GLY A 39 6.026 11.916 6.802 1.00 0.00 H new ATOM 0 HA2 GLY A 39 5.853 14.455 5.380 1.00 0.00 H new ATOM 0 HA3 GLY A 39 7.099 14.365 6.609 1.00 0.00 H new ATOM 571 N GLY A 40 6.836 12.046 4.265 1.00 0.00 N ATOM 572 CA GLY A 40 7.615 11.278 3.311 1.00 0.00 C ATOM 573 C GLY A 40 7.213 11.557 1.877 1.00 0.00 C ATOM 574 O GLY A 40 6.982 12.707 1.502 1.00 0.00 O ATOM 0 H GLY A 40 5.858 11.766 4.343 1.00 0.00 H new ATOM 0 HA2 GLY A 40 8.672 11.509 3.440 1.00 0.00 H new ATOM 0 HA3 GLY A 40 7.493 10.215 3.519 1.00 0.00 H new ATOM 578 N ALA A 41 7.130 10.503 1.071 1.00 0.00 N ATOM 579 CA ALA A 41 6.753 10.641 -0.330 1.00 0.00 C ATOM 580 C ALA A 41 5.376 10.039 -0.589 1.00 0.00 C ATOM 581 O ALA A 41 4.619 10.534 -1.424 1.00 0.00 O ATOM 582 CB ALA A 41 7.794 9.984 -1.224 1.00 0.00 C ATOM 0 H ALA A 41 7.319 9.545 1.365 1.00 0.00 H new ATOM 0 HA ALA A 41 6.707 11.704 -0.565 1.00 0.00 H new ATOM 0 HB1 ALA A 41 7.499 10.095 -2.268 1.00 0.00 H new ATOM 0 HB2 ALA A 41 8.761 10.461 -1.067 1.00 0.00 H new ATOM 0 HB3 ALA A 41 7.868 8.925 -0.978 1.00 0.00 H new ATOM 588 N ALA A 42 5.057 8.969 0.132 1.00 0.00 N ATOM 589 CA ALA A 42 3.770 8.301 -0.019 1.00 0.00 C ATOM 590 C ALA A 42 2.622 9.231 0.357 1.00 0.00 C ATOM 591 O ALA A 42 1.621 9.316 -0.354 1.00 0.00 O ATOM 592 CB ALA A 42 3.729 7.038 0.827 1.00 0.00 C ATOM 0 H ALA A 42 5.673 8.546 0.827 1.00 0.00 H new ATOM 0 HA ALA A 42 3.651 8.026 -1.067 1.00 0.00 H new ATOM 0 HB1 ALA A 42 2.762 6.549 0.705 1.00 0.00 H new ATOM 0 HB2 ALA A 42 4.521 6.361 0.508 1.00 0.00 H new ATOM 0 HB3 ALA A 42 3.874 7.298 1.876 1.00 0.00 H new ATOM 598 N MET A 43 2.772 9.925 1.480 1.00 0.00 N ATOM 599 CA MET A 43 1.747 10.849 1.951 1.00 0.00 C ATOM 600 C MET A 43 1.479 11.936 0.915 1.00 0.00 C ATOM 601 O MET A 43 0.327 12.248 0.611 1.00 0.00 O ATOM 602 CB MET A 43 2.171 11.484 3.276 1.00 0.00 C ATOM 603 CG MET A 43 1.044 12.212 3.990 1.00 0.00 C ATOM 604 SD MET A 43 -0.143 11.084 4.745 1.00 0.00 S ATOM 605 CE MET A 43 0.679 10.715 6.293 1.00 0.00 C ATOM 0 H MET A 43 3.594 9.865 2.081 1.00 0.00 H new ATOM 0 HA MET A 43 0.828 10.284 2.106 1.00 0.00 H new ATOM 0 HB2 MET A 43 2.564 10.707 3.932 1.00 0.00 H new ATOM 0 HB3 MET A 43 2.984 12.185 3.089 1.00 0.00 H new ATOM 0 HG2 MET A 43 1.465 12.859 4.760 1.00 0.00 H new ATOM 0 HG3 MET A 43 0.526 12.857 3.280 1.00 0.00 H new ATOM 0 HE1 MET A 43 0.216 9.841 6.751 1.00 0.00 H new ATOM 0 HE2 MET A 43 1.733 10.511 6.106 1.00 0.00 H new ATOM 0 HE3 MET A 43 0.588 11.568 6.965 1.00 0.00 H new ATOM 615 N LYS A 44 2.549 12.511 0.376 1.00 0.00 N ATOM 616 CA LYS A 44 2.430 13.563 -0.626 1.00 0.00 C ATOM 617 C LYS A 44 1.515 13.128 -1.766 1.00 0.00 C ATOM 618 O LYS A 44 0.635 13.877 -2.189 1.00 0.00 O ATOM 619 CB LYS A 44 3.810 13.930 -1.177 1.00 0.00 C ATOM 620 CG LYS A 44 4.691 14.658 -0.176 1.00 0.00 C ATOM 621 CD LYS A 44 6.140 14.694 -0.632 1.00 0.00 C ATOM 622 CE LYS A 44 6.388 15.833 -1.609 1.00 0.00 C ATOM 623 NZ LYS A 44 6.085 15.434 -3.012 1.00 0.00 N ATOM 0 H LYS A 44 3.509 12.266 0.617 1.00 0.00 H new ATOM 0 HA LYS A 44 1.992 14.439 -0.147 1.00 0.00 H new ATOM 0 HB2 LYS A 44 4.317 13.021 -1.500 1.00 0.00 H new ATOM 0 HB3 LYS A 44 3.684 14.556 -2.060 1.00 0.00 H new ATOM 0 HG2 LYS A 44 4.326 15.676 -0.041 1.00 0.00 H new ATOM 0 HG3 LYS A 44 4.626 14.165 0.794 1.00 0.00 H new ATOM 0 HD2 LYS A 44 6.792 14.807 0.234 1.00 0.00 H new ATOM 0 HD3 LYS A 44 6.398 13.746 -1.104 1.00 0.00 H new ATOM 0 HE2 LYS A 44 5.772 16.689 -1.333 1.00 0.00 H new ATOM 0 HE3 LYS A 44 7.428 16.153 -1.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 6.730 15.929 -3.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 6.210 14.407 -3.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 5.103 15.688 -3.241 1.00 0.00 H new ATOM 637 N ALA A 45 1.728 11.912 -2.258 1.00 0.00 N ATOM 638 CA ALA A 45 0.920 11.376 -3.346 1.00 0.00 C ATOM 639 C ALA A 45 -0.552 11.309 -2.956 1.00 0.00 C ATOM 640 O ALA A 45 -1.435 11.405 -3.807 1.00 0.00 O ATOM 641 CB ALA A 45 1.424 9.997 -3.749 1.00 0.00 C ATOM 0 H ALA A 45 2.453 11.280 -1.920 1.00 0.00 H new ATOM 0 HA ALA A 45 1.013 12.049 -4.199 1.00 0.00 H new ATOM 0 HB1 ALA A 45 0.811 9.609 -4.563 1.00 0.00 H new ATOM 0 HB2 ALA A 45 2.460 10.070 -4.079 1.00 0.00 H new ATOM 0 HB3 ALA A 45 1.362 9.323 -2.895 1.00 0.00 H new ATOM 647 N GLY A 46 -0.810 11.142 -1.662 1.00 0.00 N ATOM 648 CA GLY A 46 -2.177 11.065 -1.182 1.00 0.00 C ATOM 649 C GLY A 46 -2.555 9.668 -0.731 1.00 0.00 C ATOM 650 O GLY A 46 -3.609 9.151 -1.102 1.00 0.00 O ATOM 0 H GLY A 46 -0.096 11.059 -0.938 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -2.307 11.759 -0.352 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -2.855 11.384 -1.973 1.00 0.00 H new ATOM 654 N VAL A 47 -1.691 9.052 0.071 1.00 0.00 N ATOM 655 CA VAL A 47 -1.939 7.706 0.572 1.00 0.00 C ATOM 656 C VAL A 47 -2.021 7.693 2.095 1.00 0.00 C ATOM 657 O VAL A 47 -1.219 8.333 2.776 1.00 0.00 O ATOM 658 CB VAL A 47 -0.840 6.727 0.120 1.00 0.00 C ATOM 659 CG1 VAL A 47 -1.150 5.317 0.599 1.00 0.00 C ATOM 660 CG2 VAL A 47 -0.685 6.763 -1.393 1.00 0.00 C ATOM 0 H VAL A 47 -0.813 9.465 0.387 1.00 0.00 H new ATOM 0 HA VAL A 47 -2.894 7.385 0.156 1.00 0.00 H new ATOM 0 HB VAL A 47 0.105 7.037 0.567 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -0.362 4.639 0.270 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -1.206 5.307 1.687 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -2.104 4.993 0.183 1.00 0.00 H new ATOM 0 HG21 VAL A 47 0.096 6.065 -1.695 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -1.627 6.479 -1.862 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -0.413 7.771 -1.707 1.00 0.00 H new ATOM 670 N LYS A 48 -2.994 6.960 2.623 1.00 0.00 N ATOM 671 CA LYS A 48 -3.181 6.860 4.066 1.00 0.00 C ATOM 672 C LYS A 48 -3.445 5.417 4.482 1.00 0.00 C ATOM 673 O LYS A 48 -3.713 4.559 3.642 1.00 0.00 O ATOM 674 CB LYS A 48 -4.342 7.752 4.513 1.00 0.00 C ATOM 675 CG LYS A 48 -5.696 7.290 4.001 1.00 0.00 C ATOM 676 CD LYS A 48 -6.830 7.856 4.839 1.00 0.00 C ATOM 677 CE LYS A 48 -8.134 7.897 4.056 1.00 0.00 C ATOM 678 NZ LYS A 48 -9.273 8.354 4.898 1.00 0.00 N ATOM 0 H LYS A 48 -3.667 6.425 2.073 1.00 0.00 H new ATOM 0 HA LYS A 48 -2.264 7.197 4.550 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -4.366 7.784 5.602 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -4.161 8.770 4.168 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -5.819 7.600 2.963 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -5.740 6.201 4.016 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -6.961 7.248 5.734 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -6.572 8.862 5.171 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -8.023 8.565 3.202 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -8.351 6.905 3.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -10.143 8.368 4.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -9.395 7.703 5.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -9.078 9.311 5.256 1.00 0.00 H new ATOM 692 N GLU A 49 -3.370 5.158 5.784 1.00 0.00 N ATOM 693 CA GLU A 49 -3.602 3.818 6.310 1.00 0.00 C ATOM 694 C GLU A 49 -5.003 3.329 5.954 1.00 0.00 C ATOM 695 O GLU A 49 -5.946 4.115 5.875 1.00 0.00 O ATOM 696 CB GLU A 49 -3.416 3.803 7.829 1.00 0.00 C ATOM 697 CG GLU A 49 -1.960 3.783 8.263 1.00 0.00 C ATOM 698 CD GLU A 49 -1.801 3.740 9.771 1.00 0.00 C ATOM 699 OE1 GLU A 49 -2.132 2.698 10.373 1.00 0.00 O ATOM 700 OE2 GLU A 49 -1.345 4.750 10.348 1.00 0.00 O ATOM 0 H GLU A 49 -3.151 5.858 6.493 1.00 0.00 H new ATOM 0 HA GLU A 49 -2.874 3.146 5.855 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -3.901 4.681 8.255 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -3.921 2.929 8.240 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -1.466 2.916 7.824 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -1.456 4.668 7.873 1.00 0.00 H new ATOM 707 N GLY A 50 -5.131 2.023 5.740 1.00 0.00 N ATOM 708 CA GLY A 50 -6.419 1.450 5.394 1.00 0.00 C ATOM 709 C GLY A 50 -6.673 1.456 3.900 1.00 0.00 C ATOM 710 O GLY A 50 -7.809 1.631 3.457 1.00 0.00 O ATOM 0 H GLY A 50 -4.366 1.351 5.800 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -6.469 0.426 5.764 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -7.209 2.009 5.896 1.00 0.00 H new ATOM 714 N ASP A 51 -5.614 1.266 3.120 1.00 0.00 N ATOM 715 CA ASP A 51 -5.728 1.250 1.666 1.00 0.00 C ATOM 716 C ASP A 51 -5.266 -0.088 1.099 1.00 0.00 C ATOM 717 O ASP A 51 -4.330 -0.701 1.614 1.00 0.00 O ATOM 718 CB ASP A 51 -4.906 2.388 1.057 1.00 0.00 C ATOM 719 CG ASP A 51 -5.468 2.862 -0.269 1.00 0.00 C ATOM 720 OD1 ASP A 51 -5.952 2.012 -1.046 1.00 0.00 O ATOM 721 OD2 ASP A 51 -5.425 4.082 -0.529 1.00 0.00 O ATOM 0 H ASP A 51 -4.667 1.121 3.470 1.00 0.00 H new ATOM 0 HA ASP A 51 -6.777 1.390 1.407 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -4.875 3.224 1.755 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -3.878 2.054 0.914 1.00 0.00 H new ATOM 726 N ARG A 52 -5.928 -0.536 0.038 1.00 0.00 N ATOM 727 CA ARG A 52 -5.586 -1.803 -0.598 1.00 0.00 C ATOM 728 C ARG A 52 -4.953 -1.571 -1.967 1.00 0.00 C ATOM 729 O ARG A 52 -5.161 -0.529 -2.589 1.00 0.00 O ATOM 730 CB ARG A 52 -6.833 -2.678 -0.742 1.00 0.00 C ATOM 731 CG ARG A 52 -6.563 -4.018 -1.405 1.00 0.00 C ATOM 732 CD ARG A 52 -7.781 -4.926 -1.344 1.00 0.00 C ATOM 733 NE ARG A 52 -8.817 -4.517 -2.289 1.00 0.00 N ATOM 734 CZ ARG A 52 -10.038 -5.038 -2.311 1.00 0.00 C ATOM 735 NH1 ARG A 52 -10.376 -5.983 -1.444 1.00 0.00 N ATOM 736 NH2 ARG A 52 -10.926 -4.614 -3.202 1.00 0.00 N ATOM 0 H ARG A 52 -6.705 -0.041 -0.400 1.00 0.00 H new ATOM 0 HA ARG A 52 -4.862 -2.315 0.035 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -7.262 -2.850 0.245 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -7.580 -2.138 -1.324 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -6.278 -3.860 -2.445 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -5.720 -4.505 -0.914 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -7.480 -5.951 -1.558 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -8.189 -4.918 -0.333 1.00 0.00 H new ATOM 0 HE ARG A 52 -8.590 -3.792 -2.969 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -9.697 -6.312 -0.757 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -11.315 -6.381 -1.464 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -10.671 -3.887 -3.871 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -11.864 -5.015 -3.218 1.00 0.00 H new ATOM 750 N ILE A 53 -4.182 -2.549 -2.429 1.00 0.00 N ATOM 751 CA ILE A 53 -3.519 -2.452 -3.724 1.00 0.00 C ATOM 752 C ILE A 53 -3.864 -3.645 -4.608 1.00 0.00 C ATOM 753 O ILE A 53 -3.685 -4.797 -4.211 1.00 0.00 O ATOM 754 CB ILE A 53 -1.989 -2.366 -3.568 1.00 0.00 C ATOM 755 CG1 ILE A 53 -1.612 -1.197 -2.657 1.00 0.00 C ATOM 756 CG2 ILE A 53 -1.326 -2.220 -4.930 1.00 0.00 C ATOM 757 CD1 ILE A 53 -0.267 -1.364 -1.985 1.00 0.00 C ATOM 0 H ILE A 53 -4.001 -3.418 -1.926 1.00 0.00 H new ATOM 0 HA ILE A 53 -3.879 -1.538 -4.196 1.00 0.00 H new ATOM 0 HB ILE A 53 -1.632 -3.288 -3.109 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -1.605 -0.278 -3.243 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -2.380 -1.081 -1.892 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -0.245 -2.160 -4.804 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -1.572 -3.083 -5.549 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.685 -1.312 -5.414 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -0.065 -0.498 -1.355 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -0.276 -2.265 -1.372 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.511 -1.449 -2.744 1.00 0.00 H new ATOM 769 N ILE A 54 -4.356 -3.361 -5.809 1.00 0.00 N ATOM 770 CA ILE A 54 -4.722 -4.411 -6.752 1.00 0.00 C ATOM 771 C ILE A 54 -3.600 -4.669 -7.751 1.00 0.00 C ATOM 772 O ILE A 54 -3.233 -5.816 -8.008 1.00 0.00 O ATOM 773 CB ILE A 54 -6.007 -4.054 -7.522 1.00 0.00 C ATOM 774 CG1 ILE A 54 -7.067 -3.508 -6.563 1.00 0.00 C ATOM 775 CG2 ILE A 54 -6.535 -5.271 -8.266 1.00 0.00 C ATOM 776 CD1 ILE A 54 -8.418 -3.298 -7.211 1.00 0.00 C ATOM 0 H ILE A 54 -4.510 -2.413 -6.152 1.00 0.00 H new ATOM 0 HA ILE A 54 -4.898 -5.313 -6.166 1.00 0.00 H new ATOM 0 HB ILE A 54 -5.772 -3.280 -8.253 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -7.178 -4.198 -5.726 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -6.719 -2.560 -6.151 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -7.443 -5.002 -8.805 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -5.783 -5.619 -8.974 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -6.758 -6.065 -7.553 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -9.119 -2.910 -6.472 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -8.322 -2.585 -8.030 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -8.787 -4.248 -7.598 1.00 0.00 H new ATOM 788 N LYS A 55 -3.055 -3.595 -8.312 1.00 0.00 N ATOM 789 CA LYS A 55 -1.972 -3.703 -9.281 1.00 0.00 C ATOM 790 C LYS A 55 -0.788 -2.831 -8.873 1.00 0.00 C ATOM 791 O LYS A 55 -0.961 -1.785 -8.247 1.00 0.00 O ATOM 792 CB LYS A 55 -2.462 -3.297 -10.672 1.00 0.00 C ATOM 793 CG LYS A 55 -1.728 -3.995 -11.804 1.00 0.00 C ATOM 794 CD LYS A 55 -2.304 -5.375 -12.074 1.00 0.00 C ATOM 795 CE LYS A 55 -3.433 -5.319 -13.092 1.00 0.00 C ATOM 796 NZ LYS A 55 -4.757 -5.113 -12.443 1.00 0.00 N ATOM 0 H LYS A 55 -3.347 -2.638 -8.111 1.00 0.00 H new ATOM 0 HA LYS A 55 -1.644 -4.742 -9.307 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -3.527 -3.516 -10.751 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -2.349 -2.219 -10.787 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -1.792 -3.390 -12.708 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -0.671 -4.083 -11.554 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -1.516 -6.034 -12.439 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -2.673 -5.805 -11.143 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -3.245 -4.510 -13.798 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -3.450 -6.245 -13.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -5.441 -5.797 -12.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -4.666 -5.251 -11.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -5.091 -4.147 -12.634 1.00 0.00 H new ATOM 810 N VAL A 56 0.415 -3.268 -9.232 1.00 0.00 N ATOM 811 CA VAL A 56 1.627 -2.527 -8.906 1.00 0.00 C ATOM 812 C VAL A 56 2.585 -2.490 -10.092 1.00 0.00 C ATOM 813 O VAL A 56 3.062 -3.527 -10.549 1.00 0.00 O ATOM 814 CB VAL A 56 2.351 -3.141 -7.694 1.00 0.00 C ATOM 815 CG1 VAL A 56 3.731 -2.523 -7.527 1.00 0.00 C ATOM 816 CG2 VAL A 56 1.522 -2.962 -6.431 1.00 0.00 C ATOM 0 H VAL A 56 0.576 -4.132 -9.749 1.00 0.00 H new ATOM 0 HA VAL A 56 1.320 -1.511 -8.660 1.00 0.00 H new ATOM 0 HB VAL A 56 2.476 -4.209 -7.871 1.00 0.00 H new ATOM 0 HG11 VAL A 56 4.228 -2.969 -6.665 1.00 0.00 H new ATOM 0 HG12 VAL A 56 4.323 -2.708 -8.423 1.00 0.00 H new ATOM 0 HG13 VAL A 56 3.632 -1.449 -7.372 1.00 0.00 H new ATOM 0 HG21 VAL A 56 2.049 -3.402 -5.584 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.364 -1.899 -6.247 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.558 -3.456 -6.555 1.00 0.00 H new ATOM 826 N ASN A 57 2.862 -1.287 -10.584 1.00 0.00 N ATOM 827 CA ASN A 57 3.764 -1.115 -11.718 1.00 0.00 C ATOM 828 C ASN A 57 3.399 -2.067 -12.853 1.00 0.00 C ATOM 829 O ASN A 57 4.273 -2.662 -13.483 1.00 0.00 O ATOM 830 CB ASN A 57 5.212 -1.350 -11.284 1.00 0.00 C ATOM 831 CG ASN A 57 5.873 -0.088 -10.767 1.00 0.00 C ATOM 832 OD1 ASN A 57 5.219 0.773 -10.178 1.00 0.00 O ATOM 833 ND2 ASN A 57 7.178 0.029 -10.986 1.00 0.00 N ATOM 0 H ASN A 57 2.476 -0.418 -10.216 1.00 0.00 H new ATOM 0 HA ASN A 57 3.662 -0.092 -12.080 1.00 0.00 H new ATOM 0 HB2 ASN A 57 5.236 -2.114 -10.507 1.00 0.00 H new ATOM 0 HB3 ASN A 57 5.783 -1.736 -12.128 1.00 0.00 H new ATOM 0 HD21 ASN A 57 7.677 0.857 -10.662 1.00 0.00 H new ATOM 0 HD22 ASN A 57 7.681 -0.709 -11.479 1.00 0.00 H new ATOM 840 N GLY A 58 2.102 -2.206 -13.108 1.00 0.00 N ATOM 841 CA GLY A 58 1.644 -3.087 -14.166 1.00 0.00 C ATOM 842 C GLY A 58 1.873 -4.550 -13.843 1.00 0.00 C ATOM 843 O GLY A 58 1.982 -5.384 -14.743 1.00 0.00 O ATOM 0 H GLY A 58 1.360 -1.724 -12.601 1.00 0.00 H new ATOM 0 HA2 GLY A 58 0.581 -2.919 -14.340 1.00 0.00 H new ATOM 0 HA3 GLY A 58 2.162 -2.837 -15.092 1.00 0.00 H new ATOM 847 N THR A 59 1.947 -4.865 -12.553 1.00 0.00 N ATOM 848 CA THR A 59 2.167 -6.237 -12.113 1.00 0.00 C ATOM 849 C THR A 59 1.032 -6.714 -11.214 1.00 0.00 C ATOM 850 O THR A 59 0.899 -6.266 -10.076 1.00 0.00 O ATOM 851 CB THR A 59 3.501 -6.376 -11.355 1.00 0.00 C ATOM 852 OG1 THR A 59 4.490 -5.525 -11.944 1.00 0.00 O ATOM 853 CG2 THR A 59 3.987 -7.818 -11.375 1.00 0.00 C ATOM 0 H THR A 59 1.858 -4.188 -11.795 1.00 0.00 H new ATOM 0 HA THR A 59 2.201 -6.856 -13.010 1.00 0.00 H new ATOM 0 HB THR A 59 3.338 -6.079 -10.319 1.00 0.00 H new ATOM 0 HG1 THR A 59 4.338 -4.600 -11.658 1.00 0.00 H new ATOM 0 HG21 THR A 59 4.930 -7.892 -10.834 1.00 0.00 H new ATOM 0 HG22 THR A 59 3.245 -8.459 -10.899 1.00 0.00 H new ATOM 0 HG23 THR A 59 4.135 -8.138 -12.406 1.00 0.00 H new ATOM 861 N MET A 60 0.217 -7.627 -11.733 1.00 0.00 N ATOM 862 CA MET A 60 -0.906 -8.166 -10.975 1.00 0.00 C ATOM 863 C MET A 60 -0.418 -8.926 -9.746 1.00 0.00 C ATOM 864 O MET A 60 0.170 -10.002 -9.862 1.00 0.00 O ATOM 865 CB MET A 60 -1.748 -9.089 -11.858 1.00 0.00 C ATOM 866 CG MET A 60 -2.958 -9.674 -11.147 1.00 0.00 C ATOM 867 SD MET A 60 -4.256 -10.184 -12.289 1.00 0.00 S ATOM 868 CE MET A 60 -5.482 -8.910 -11.999 1.00 0.00 C ATOM 0 H MET A 60 0.313 -8.008 -12.674 1.00 0.00 H new ATOM 0 HA MET A 60 -1.522 -7.331 -10.643 1.00 0.00 H new ATOM 0 HB2 MET A 60 -2.085 -8.533 -12.733 1.00 0.00 H new ATOM 0 HB3 MET A 60 -1.121 -9.904 -12.220 1.00 0.00 H new ATOM 0 HG2 MET A 60 -2.645 -10.532 -10.552 1.00 0.00 H new ATOM 0 HG3 MET A 60 -3.359 -8.935 -10.454 1.00 0.00 H new ATOM 0 HE1 MET A 60 -6.349 -9.088 -12.635 1.00 0.00 H new ATOM 0 HE2 MET A 60 -5.789 -8.931 -10.953 1.00 0.00 H new ATOM 0 HE3 MET A 60 -5.055 -7.935 -12.232 1.00 0.00 H new ATOM 878 N VAL A 61 -0.664 -8.360 -8.569 1.00 0.00 N ATOM 879 CA VAL A 61 -0.250 -8.985 -7.318 1.00 0.00 C ATOM 880 C VAL A 61 -1.455 -9.336 -6.454 1.00 0.00 C ATOM 881 O VAL A 61 -1.339 -9.487 -5.237 1.00 0.00 O ATOM 882 CB VAL A 61 0.693 -8.067 -6.518 1.00 0.00 C ATOM 883 CG1 VAL A 61 1.982 -7.824 -7.287 1.00 0.00 C ATOM 884 CG2 VAL A 61 0.002 -6.752 -6.188 1.00 0.00 C ATOM 0 H VAL A 61 -1.148 -7.469 -8.455 1.00 0.00 H new ATOM 0 HA VAL A 61 0.282 -9.899 -7.581 1.00 0.00 H new ATOM 0 HB VAL A 61 0.946 -8.563 -5.581 1.00 0.00 H new ATOM 0 HG11 VAL A 61 2.635 -7.173 -6.706 1.00 0.00 H new ATOM 0 HG12 VAL A 61 2.483 -8.775 -7.466 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.753 -7.349 -8.241 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.682 -6.115 -5.623 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -0.283 -6.249 -7.112 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.890 -6.949 -5.593 1.00 0.00 H new ATOM 894 N THR A 62 -2.616 -9.465 -7.090 1.00 0.00 N ATOM 895 CA THR A 62 -3.844 -9.798 -6.379 1.00 0.00 C ATOM 896 C THR A 62 -3.687 -11.089 -5.585 1.00 0.00 C ATOM 897 O THR A 62 -4.363 -11.295 -4.578 1.00 0.00 O ATOM 898 CB THR A 62 -5.032 -9.946 -7.349 1.00 0.00 C ATOM 899 OG1 THR A 62 -4.613 -10.629 -8.536 1.00 0.00 O ATOM 900 CG2 THR A 62 -5.603 -8.585 -7.716 1.00 0.00 C ATOM 0 H THR A 62 -2.731 -9.344 -8.096 1.00 0.00 H new ATOM 0 HA THR A 62 -4.045 -8.975 -5.693 1.00 0.00 H new ATOM 0 HB THR A 62 -5.809 -10.526 -6.851 1.00 0.00 H new ATOM 0 HG1 THR A 62 -5.374 -10.720 -9.147 1.00 0.00 H new ATOM 0 HG21 THR A 62 -6.440 -8.715 -8.402 1.00 0.00 H new ATOM 0 HG22 THR A 62 -5.948 -8.080 -6.814 1.00 0.00 H new ATOM 0 HG23 THR A 62 -4.831 -7.984 -8.196 1.00 0.00 H new ATOM 908 N ASN A 63 -2.791 -11.956 -6.045 1.00 0.00 N ATOM 909 CA ASN A 63 -2.545 -13.229 -5.376 1.00 0.00 C ATOM 910 C ASN A 63 -1.169 -13.240 -4.717 1.00 0.00 C ATOM 911 O ASN A 63 -1.038 -13.559 -3.535 1.00 0.00 O ATOM 912 CB ASN A 63 -2.654 -14.383 -6.375 1.00 0.00 C ATOM 913 CG ASN A 63 -1.924 -15.626 -5.904 1.00 0.00 C ATOM 914 OD1 ASN A 63 -1.712 -15.818 -4.706 1.00 0.00 O ATOM 915 ND2 ASN A 63 -1.536 -16.477 -6.847 1.00 0.00 N ATOM 0 H ASN A 63 -2.223 -11.801 -6.878 1.00 0.00 H new ATOM 0 HA ASN A 63 -3.301 -13.356 -4.601 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -3.705 -14.622 -6.537 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -2.247 -14.068 -7.336 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -1.041 -17.331 -6.591 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -1.733 -16.277 -7.827 1.00 0.00 H new ATOM 922 N SER A 64 -0.146 -12.890 -5.489 1.00 0.00 N ATOM 923 CA SER A 64 1.221 -12.863 -4.982 1.00 0.00 C ATOM 924 C SER A 64 1.255 -12.371 -3.538 1.00 0.00 C ATOM 925 O SER A 64 0.368 -11.639 -3.099 1.00 0.00 O ATOM 926 CB SER A 64 2.096 -11.965 -5.859 1.00 0.00 C ATOM 927 OG SER A 64 2.221 -12.496 -7.167 1.00 0.00 O ATOM 0 H SER A 64 -0.238 -12.621 -6.469 1.00 0.00 H new ATOM 0 HA SER A 64 1.613 -13.880 -5.011 1.00 0.00 H new ATOM 0 HB2 SER A 64 1.663 -10.966 -5.908 1.00 0.00 H new ATOM 0 HB3 SER A 64 3.083 -11.862 -5.409 1.00 0.00 H new ATOM 0 HG SER A 64 2.783 -11.903 -7.708 1.00 0.00 H new ATOM 933 N SER A 65 2.285 -12.779 -2.805 1.00 0.00 N ATOM 934 CA SER A 65 2.434 -12.384 -1.409 1.00 0.00 C ATOM 935 C SER A 65 3.058 -10.995 -1.301 1.00 0.00 C ATOM 936 O SER A 65 3.683 -10.508 -2.243 1.00 0.00 O ATOM 937 CB SER A 65 3.295 -13.402 -0.658 1.00 0.00 C ATOM 938 OG SER A 65 3.531 -12.984 0.676 1.00 0.00 O ATOM 0 H SER A 65 3.029 -13.383 -3.154 1.00 0.00 H new ATOM 0 HA SER A 65 1.442 -12.354 -0.958 1.00 0.00 H new ATOM 0 HB2 SER A 65 2.798 -14.372 -0.656 1.00 0.00 H new ATOM 0 HB3 SER A 65 4.246 -13.532 -1.176 1.00 0.00 H new ATOM 0 HG SER A 65 4.082 -13.652 1.135 1.00 0.00 H new ATOM 944 N HIS A 66 2.883 -10.363 -0.145 1.00 0.00 N ATOM 945 CA HIS A 66 3.429 -9.031 0.088 1.00 0.00 C ATOM 946 C HIS A 66 4.943 -9.023 -0.104 1.00 0.00 C ATOM 947 O HIS A 66 5.465 -8.324 -0.974 1.00 0.00 O ATOM 948 CB HIS A 66 3.080 -8.553 1.498 1.00 0.00 C ATOM 949 CG HIS A 66 3.957 -7.443 1.988 1.00 0.00 C ATOM 950 ND1 HIS A 66 4.543 -7.442 3.237 1.00 0.00 N ATOM 951 CD2 HIS A 66 4.349 -6.294 1.390 1.00 0.00 C ATOM 952 CE1 HIS A 66 5.256 -6.340 3.386 1.00 0.00 C ATOM 953 NE2 HIS A 66 5.155 -5.626 2.279 1.00 0.00 N ATOM 0 H HIS A 66 2.368 -10.752 0.645 1.00 0.00 H new ATOM 0 HA HIS A 66 2.984 -8.351 -0.639 1.00 0.00 H new ATOM 0 HB2 HIS A 66 2.043 -8.219 1.513 1.00 0.00 H new ATOM 0 HB3 HIS A 66 3.154 -9.395 2.187 1.00 0.00 H new ATOM 0 HD2 HIS A 66 4.078 -5.964 0.398 1.00 0.00 H new ATOM 0 HE1 HIS A 66 5.825 -6.069 4.263 1.00 0.00 H new ATOM 0 HE2 HIS A 66 5.603 -4.725 2.112 1.00 0.00 H new ATOM 962 N LEU A 67 5.642 -9.802 0.713 1.00 0.00 N ATOM 963 CA LEU A 67 7.097 -9.885 0.634 1.00 0.00 C ATOM 964 C LEU A 67 7.566 -9.843 -0.817 1.00 0.00 C ATOM 965 O LEU A 67 8.600 -9.253 -1.127 1.00 0.00 O ATOM 966 CB LEU A 67 7.592 -11.167 1.305 1.00 0.00 C ATOM 967 CG LEU A 67 9.108 -11.308 1.445 1.00 0.00 C ATOM 968 CD1 LEU A 67 9.664 -10.220 2.351 1.00 0.00 C ATOM 969 CD2 LEU A 67 9.467 -12.686 1.981 1.00 0.00 C ATOM 0 H LEU A 67 5.225 -10.386 1.438 1.00 0.00 H new ATOM 0 HA LEU A 67 7.514 -9.025 1.157 1.00 0.00 H new ATOM 0 HB2 LEU A 67 7.148 -11.228 2.299 1.00 0.00 H new ATOM 0 HB3 LEU A 67 7.219 -12.019 0.736 1.00 0.00 H new ATOM 0 HG LEU A 67 9.557 -11.195 0.458 1.00 0.00 H new ATOM 0 HD11 LEU A 67 10.744 -10.336 2.439 1.00 0.00 H new ATOM 0 HD12 LEU A 67 9.438 -9.242 1.926 1.00 0.00 H new ATOM 0 HD13 LEU A 67 9.209 -10.301 3.338 1.00 0.00 H new ATOM 0 HD21 LEU A 67 10.550 -12.769 2.074 1.00 0.00 H new ATOM 0 HD22 LEU A 67 9.006 -12.827 2.959 1.00 0.00 H new ATOM 0 HD23 LEU A 67 9.102 -13.450 1.294 1.00 0.00 H new ATOM 981 N GLU A 68 6.797 -10.470 -1.701 1.00 0.00 N ATOM 982 CA GLU A 68 7.135 -10.503 -3.119 1.00 0.00 C ATOM 983 C GLU A 68 6.958 -9.126 -3.752 1.00 0.00 C ATOM 984 O GLU A 68 7.912 -8.537 -4.261 1.00 0.00 O ATOM 985 CB GLU A 68 6.264 -11.527 -3.850 1.00 0.00 C ATOM 986 CG GLU A 68 6.530 -12.963 -3.428 1.00 0.00 C ATOM 987 CD GLU A 68 7.705 -13.579 -4.163 1.00 0.00 C ATOM 988 OE1 GLU A 68 8.806 -12.991 -4.120 1.00 0.00 O ATOM 989 OE2 GLU A 68 7.523 -14.649 -4.781 1.00 0.00 O ATOM 0 H GLU A 68 5.936 -10.962 -1.461 1.00 0.00 H new ATOM 0 HA GLU A 68 8.181 -10.795 -3.210 1.00 0.00 H new ATOM 0 HB2 GLU A 68 5.215 -11.293 -3.671 1.00 0.00 H new ATOM 0 HB3 GLU A 68 6.433 -11.435 -4.923 1.00 0.00 H new ATOM 0 HG2 GLU A 68 6.721 -12.993 -2.355 1.00 0.00 H new ATOM 0 HG3 GLU A 68 5.638 -13.562 -3.610 1.00 0.00 H new ATOM 996 N VAL A 69 5.730 -8.618 -3.717 1.00 0.00 N ATOM 997 CA VAL A 69 5.428 -7.310 -4.286 1.00 0.00 C ATOM 998 C VAL A 69 6.536 -6.308 -3.982 1.00 0.00 C ATOM 999 O VAL A 69 6.809 -5.408 -4.776 1.00 0.00 O ATOM 1000 CB VAL A 69 4.093 -6.760 -3.750 1.00 0.00 C ATOM 1001 CG1 VAL A 69 3.772 -5.418 -4.390 1.00 0.00 C ATOM 1002 CG2 VAL A 69 2.970 -7.757 -3.992 1.00 0.00 C ATOM 0 H VAL A 69 4.929 -9.092 -3.301 1.00 0.00 H new ATOM 0 HA VAL A 69 5.351 -7.445 -5.365 1.00 0.00 H new ATOM 0 HB VAL A 69 4.189 -6.609 -2.675 1.00 0.00 H new ATOM 0 HG11 VAL A 69 2.825 -5.045 -3.999 1.00 0.00 H new ATOM 0 HG12 VAL A 69 4.565 -4.706 -4.160 1.00 0.00 H new ATOM 0 HG13 VAL A 69 3.695 -5.539 -5.471 1.00 0.00 H new ATOM 0 HG21 VAL A 69 2.034 -7.352 -3.607 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.872 -7.942 -5.062 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.198 -8.693 -3.481 1.00 0.00 H new ATOM 1012 N VAL A 70 7.173 -6.471 -2.827 1.00 0.00 N ATOM 1013 CA VAL A 70 8.254 -5.583 -2.418 1.00 0.00 C ATOM 1014 C VAL A 70 9.249 -5.368 -3.553 1.00 0.00 C ATOM 1015 O VAL A 70 9.549 -4.234 -3.925 1.00 0.00 O ATOM 1016 CB VAL A 70 9.003 -6.137 -1.192 1.00 0.00 C ATOM 1017 CG1 VAL A 70 10.142 -5.209 -0.796 1.00 0.00 C ATOM 1018 CG2 VAL A 70 8.044 -6.342 -0.030 1.00 0.00 C ATOM 0 H VAL A 70 6.959 -7.210 -2.158 1.00 0.00 H new ATOM 0 HA VAL A 70 7.796 -4.629 -2.154 1.00 0.00 H new ATOM 0 HB VAL A 70 9.430 -7.104 -1.456 1.00 0.00 H new ATOM 0 HG11 VAL A 70 10.659 -5.618 0.072 1.00 0.00 H new ATOM 0 HG12 VAL A 70 10.843 -5.118 -1.626 1.00 0.00 H new ATOM 0 HG13 VAL A 70 9.741 -4.226 -0.550 1.00 0.00 H new ATOM 0 HG21 VAL A 70 8.590 -6.734 0.828 1.00 0.00 H new ATOM 0 HG22 VAL A 70 7.586 -5.389 0.236 1.00 0.00 H new ATOM 0 HG23 VAL A 70 7.267 -7.050 -0.320 1.00 0.00 H new ATOM 1028 N LYS A 71 9.758 -6.467 -4.102 1.00 0.00 N ATOM 1029 CA LYS A 71 10.718 -6.401 -5.197 1.00 0.00 C ATOM 1030 C LYS A 71 10.353 -5.289 -6.175 1.00 0.00 C ATOM 1031 O LYS A 71 11.207 -4.498 -6.579 1.00 0.00 O ATOM 1032 CB LYS A 71 10.776 -7.742 -5.932 1.00 0.00 C ATOM 1033 CG LYS A 71 9.566 -8.007 -6.811 1.00 0.00 C ATOM 1034 CD LYS A 71 9.579 -9.421 -7.367 1.00 0.00 C ATOM 1035 CE LYS A 71 8.245 -9.783 -8.001 1.00 0.00 C ATOM 1036 NZ LYS A 71 7.207 -10.084 -6.976 1.00 0.00 N ATOM 0 H LYS A 71 9.521 -7.414 -3.806 1.00 0.00 H new ATOM 0 HA LYS A 71 11.699 -6.182 -4.775 1.00 0.00 H new ATOM 0 HB2 LYS A 71 11.675 -7.771 -6.548 1.00 0.00 H new ATOM 0 HB3 LYS A 71 10.865 -8.544 -5.200 1.00 0.00 H new ATOM 0 HG2 LYS A 71 8.655 -7.851 -6.234 1.00 0.00 H new ATOM 0 HG3 LYS A 71 9.549 -7.292 -7.633 1.00 0.00 H new ATOM 0 HD2 LYS A 71 10.373 -9.514 -8.108 1.00 0.00 H new ATOM 0 HD3 LYS A 71 9.806 -10.126 -6.567 1.00 0.00 H new ATOM 0 HE2 LYS A 71 7.906 -8.960 -8.630 1.00 0.00 H new ATOM 0 HE3 LYS A 71 8.375 -10.648 -8.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 6.689 -10.944 -7.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 7.663 -10.232 -6.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 6.543 -9.286 -6.910 1.00 0.00 H new ATOM 1050 N LEU A 72 9.080 -5.232 -6.551 1.00 0.00 N ATOM 1051 CA LEU A 72 8.602 -4.214 -7.480 1.00 0.00 C ATOM 1052 C LEU A 72 8.704 -2.823 -6.864 1.00 0.00 C ATOM 1053 O LEU A 72 9.349 -1.933 -7.419 1.00 0.00 O ATOM 1054 CB LEU A 72 7.154 -4.502 -7.882 1.00 0.00 C ATOM 1055 CG LEU A 72 6.860 -5.926 -8.356 1.00 0.00 C ATOM 1056 CD1 LEU A 72 5.414 -6.297 -8.067 1.00 0.00 C ATOM 1057 CD2 LEU A 72 7.161 -6.066 -9.842 1.00 0.00 C ATOM 0 H LEU A 72 8.361 -5.878 -6.227 1.00 0.00 H new ATOM 0 HA LEU A 72 9.232 -4.244 -8.369 1.00 0.00 H new ATOM 0 HB2 LEU A 72 6.511 -4.284 -7.029 1.00 0.00 H new ATOM 0 HB3 LEU A 72 6.874 -3.811 -8.677 1.00 0.00 H new ATOM 0 HG LEU A 72 7.506 -6.612 -7.808 1.00 0.00 H new ATOM 0 HD11 LEU A 72 5.223 -7.314 -8.411 1.00 0.00 H new ATOM 0 HD12 LEU A 72 5.230 -6.237 -6.994 1.00 0.00 H new ATOM 0 HD13 LEU A 72 4.750 -5.607 -8.588 1.00 0.00 H new ATOM 0 HD21 LEU A 72 6.946 -7.085 -10.162 1.00 0.00 H new ATOM 0 HD22 LEU A 72 6.540 -5.370 -10.406 1.00 0.00 H new ATOM 0 HD23 LEU A 72 8.212 -5.843 -10.023 1.00 0.00 H new ATOM 1069 N ILE A 73 8.064 -2.643 -5.713 1.00 0.00 N ATOM 1070 CA ILE A 73 8.086 -1.361 -5.020 1.00 0.00 C ATOM 1071 C ILE A 73 9.490 -0.765 -5.009 1.00 0.00 C ATOM 1072 O ILE A 73 9.689 0.391 -5.383 1.00 0.00 O ATOM 1073 CB ILE A 73 7.587 -1.497 -3.569 1.00 0.00 C ATOM 1074 CG1 ILE A 73 6.070 -1.694 -3.545 1.00 0.00 C ATOM 1075 CG2 ILE A 73 7.980 -0.272 -2.757 1.00 0.00 C ATOM 1076 CD1 ILE A 73 5.560 -2.302 -2.257 1.00 0.00 C ATOM 0 H ILE A 73 7.524 -3.369 -5.241 1.00 0.00 H new ATOM 0 HA ILE A 73 7.416 -0.696 -5.566 1.00 0.00 H new ATOM 0 HB ILE A 73 8.056 -2.373 -3.120 1.00 0.00 H new ATOM 0 HG12 ILE A 73 5.584 -0.731 -3.700 1.00 0.00 H new ATOM 0 HG13 ILE A 73 5.782 -2.334 -4.379 1.00 0.00 H new ATOM 0 HG21 ILE A 73 7.620 -0.383 -1.734 1.00 0.00 H new ATOM 0 HG22 ILE A 73 9.065 -0.172 -2.751 1.00 0.00 H new ATOM 0 HG23 ILE A 73 7.536 0.618 -3.203 1.00 0.00 H new ATOM 0 HD11 ILE A 73 4.477 -2.413 -2.311 1.00 0.00 H new ATOM 0 HD12 ILE A 73 6.018 -3.280 -2.110 1.00 0.00 H new ATOM 0 HD13 ILE A 73 5.817 -1.652 -1.421 1.00 0.00 H new ATOM 1088 N LYS A 74 10.461 -1.563 -4.579 1.00 0.00 N ATOM 1089 CA LYS A 74 11.848 -1.117 -4.522 1.00 0.00 C ATOM 1090 C LYS A 74 12.493 -1.166 -5.904 1.00 0.00 C ATOM 1091 O LYS A 74 13.474 -1.878 -6.117 1.00 0.00 O ATOM 1092 CB LYS A 74 12.645 -1.985 -3.546 1.00 0.00 C ATOM 1093 CG LYS A 74 12.551 -3.473 -3.838 1.00 0.00 C ATOM 1094 CD LYS A 74 13.807 -4.207 -3.401 1.00 0.00 C ATOM 1095 CE LYS A 74 13.724 -4.635 -1.944 1.00 0.00 C ATOM 1096 NZ LYS A 74 14.777 -5.630 -1.597 1.00 0.00 N ATOM 0 H LYS A 74 10.313 -2.522 -4.265 1.00 0.00 H new ATOM 0 HA LYS A 74 11.857 -0.085 -4.172 1.00 0.00 H new ATOM 0 HB2 LYS A 74 13.692 -1.683 -3.576 1.00 0.00 H new ATOM 0 HB3 LYS A 74 12.288 -1.799 -2.533 1.00 0.00 H new ATOM 0 HG2 LYS A 74 11.686 -3.892 -3.324 1.00 0.00 H new ATOM 0 HG3 LYS A 74 12.392 -3.626 -4.905 1.00 0.00 H new ATOM 0 HD2 LYS A 74 13.955 -5.084 -4.031 1.00 0.00 H new ATOM 0 HD3 LYS A 74 14.674 -3.562 -3.543 1.00 0.00 H new ATOM 0 HE2 LYS A 74 13.826 -3.760 -1.302 1.00 0.00 H new ATOM 0 HE3 LYS A 74 12.741 -5.063 -1.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 14.687 -5.896 -0.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 14.665 -6.476 -2.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 15.716 -5.213 -1.761 1.00 0.00 H new ATOM 1110 N SER A 75 11.935 -0.403 -6.839 1.00 0.00 N ATOM 1111 CA SER A 75 12.455 -0.361 -8.201 1.00 0.00 C ATOM 1112 C SER A 75 12.293 1.032 -8.802 1.00 0.00 C ATOM 1113 O SER A 75 11.304 1.719 -8.548 1.00 0.00 O ATOM 1114 CB SER A 75 11.738 -1.392 -9.075 1.00 0.00 C ATOM 1115 OG SER A 75 12.429 -1.596 -10.295 1.00 0.00 O ATOM 0 H SER A 75 11.124 0.194 -6.678 1.00 0.00 H new ATOM 0 HA SER A 75 13.518 -0.601 -8.165 1.00 0.00 H new ATOM 0 HB2 SER A 75 11.658 -2.336 -8.537 1.00 0.00 H new ATOM 0 HB3 SER A 75 10.722 -1.055 -9.281 1.00 0.00 H new ATOM 0 HG SER A 75 11.951 -2.260 -10.834 1.00 0.00 H new ATOM 1121 N GLY A 76 13.274 1.443 -9.600 1.00 0.00 N ATOM 1122 CA GLY A 76 13.222 2.751 -10.225 1.00 0.00 C ATOM 1123 C GLY A 76 13.190 3.877 -9.211 1.00 0.00 C ATOM 1124 O GLY A 76 13.751 3.757 -8.122 1.00 0.00 O ATOM 0 H GLY A 76 14.103 0.893 -9.824 1.00 0.00 H new ATOM 0 HA2 GLY A 76 14.089 2.875 -10.874 1.00 0.00 H new ATOM 0 HA3 GLY A 76 12.338 2.812 -10.859 1.00 0.00 H new ATOM 1128 N ALA A 77 12.532 4.975 -9.568 1.00 0.00 N ATOM 1129 CA ALA A 77 12.429 6.127 -8.681 1.00 0.00 C ATOM 1130 C ALA A 77 11.048 6.204 -8.039 1.00 0.00 C ATOM 1131 O ALA A 77 10.908 6.631 -6.893 1.00 0.00 O ATOM 1132 CB ALA A 77 12.731 7.409 -9.443 1.00 0.00 C ATOM 0 H ALA A 77 12.062 5.091 -10.466 1.00 0.00 H new ATOM 0 HA ALA A 77 13.165 6.008 -7.885 1.00 0.00 H new ATOM 0 HB1 ALA A 77 12.650 8.261 -8.768 1.00 0.00 H new ATOM 0 HB2 ALA A 77 13.742 7.362 -9.849 1.00 0.00 H new ATOM 0 HB3 ALA A 77 12.018 7.524 -10.259 1.00 0.00 H new ATOM 1138 N TYR A 78 10.030 5.787 -8.785 1.00 0.00 N ATOM 1139 CA TYR A 78 8.659 5.812 -8.290 1.00 0.00 C ATOM 1140 C TYR A 78 7.941 4.504 -8.609 1.00 0.00 C ATOM 1141 O TYR A 78 8.337 3.770 -9.515 1.00 0.00 O ATOM 1142 CB TYR A 78 7.896 6.988 -8.900 1.00 0.00 C ATOM 1143 CG TYR A 78 8.180 7.199 -10.370 1.00 0.00 C ATOM 1144 CD1 TYR A 78 7.638 6.354 -11.330 1.00 0.00 C ATOM 1145 CD2 TYR A 78 8.992 8.241 -10.798 1.00 0.00 C ATOM 1146 CE1 TYR A 78 7.896 6.541 -12.674 1.00 0.00 C ATOM 1147 CE2 TYR A 78 9.255 8.437 -12.140 1.00 0.00 C ATOM 1148 CZ TYR A 78 8.704 7.585 -13.074 1.00 0.00 C ATOM 1149 OH TYR A 78 8.964 7.776 -14.412 1.00 0.00 O ATOM 0 H TYR A 78 10.129 5.428 -9.735 1.00 0.00 H new ATOM 0 HA TYR A 78 8.692 5.932 -7.207 1.00 0.00 H new ATOM 0 HB2 TYR A 78 6.827 6.825 -8.765 1.00 0.00 H new ATOM 0 HB3 TYR A 78 8.151 7.897 -8.355 1.00 0.00 H new ATOM 0 HD1 TYR A 78 7.004 5.537 -11.020 1.00 0.00 H new ATOM 0 HD2 TYR A 78 9.425 8.910 -10.069 1.00 0.00 H new ATOM 0 HE1 TYR A 78 7.468 5.874 -13.407 1.00 0.00 H new ATOM 0 HE2 TYR A 78 9.888 9.253 -12.456 1.00 0.00 H new ATOM 0 HH TYR A 78 9.549 8.555 -14.524 1.00 0.00 H new ATOM 1159 N VAL A 79 6.882 4.220 -7.859 1.00 0.00 N ATOM 1160 CA VAL A 79 6.106 3.002 -8.061 1.00 0.00 C ATOM 1161 C VAL A 79 4.614 3.307 -8.135 1.00 0.00 C ATOM 1162 O VAL A 79 4.032 3.843 -7.192 1.00 0.00 O ATOM 1163 CB VAL A 79 6.355 1.983 -6.934 1.00 0.00 C ATOM 1164 CG1 VAL A 79 5.918 2.552 -5.593 1.00 0.00 C ATOM 1165 CG2 VAL A 79 5.635 0.676 -7.228 1.00 0.00 C ATOM 0 H VAL A 79 6.541 4.817 -7.105 1.00 0.00 H new ATOM 0 HA VAL A 79 6.434 2.572 -9.007 1.00 0.00 H new ATOM 0 HB VAL A 79 7.424 1.778 -6.884 1.00 0.00 H new ATOM 0 HG11 VAL A 79 6.102 1.818 -4.809 1.00 0.00 H new ATOM 0 HG12 VAL A 79 6.484 3.459 -5.381 1.00 0.00 H new ATOM 0 HG13 VAL A 79 4.854 2.788 -5.627 1.00 0.00 H new ATOM 0 HG21 VAL A 79 5.822 -0.032 -6.421 1.00 0.00 H new ATOM 0 HG22 VAL A 79 4.564 0.861 -7.307 1.00 0.00 H new ATOM 0 HG23 VAL A 79 6.002 0.262 -8.167 1.00 0.00 H new ATOM 1175 N ALA A 80 3.999 2.962 -9.261 1.00 0.00 N ATOM 1176 CA ALA A 80 2.574 3.196 -9.457 1.00 0.00 C ATOM 1177 C ALA A 80 1.740 2.139 -8.742 1.00 0.00 C ATOM 1178 O ALA A 80 2.008 0.942 -8.855 1.00 0.00 O ATOM 1179 CB ALA A 80 2.242 3.218 -10.942 1.00 0.00 C ATOM 0 H ALA A 80 4.466 2.519 -10.052 1.00 0.00 H new ATOM 0 HA ALA A 80 2.328 4.167 -9.026 1.00 0.00 H new ATOM 0 HB1 ALA A 80 1.174 3.394 -11.074 1.00 0.00 H new ATOM 0 HB2 ALA A 80 2.804 4.015 -11.429 1.00 0.00 H new ATOM 0 HB3 ALA A 80 2.510 2.261 -11.389 1.00 0.00 H new ATOM 1185 N LEU A 81 0.730 2.587 -8.006 1.00 0.00 N ATOM 1186 CA LEU A 81 -0.144 1.679 -7.271 1.00 0.00 C ATOM 1187 C LEU A 81 -1.607 1.928 -7.622 1.00 0.00 C ATOM 1188 O LEU A 81 -2.044 3.074 -7.735 1.00 0.00 O ATOM 1189 CB LEU A 81 0.067 1.843 -5.765 1.00 0.00 C ATOM 1190 CG LEU A 81 1.518 1.813 -5.283 1.00 0.00 C ATOM 1191 CD1 LEU A 81 1.672 2.618 -4.002 1.00 0.00 C ATOM 1192 CD2 LEU A 81 1.981 0.379 -5.073 1.00 0.00 C ATOM 0 H LEU A 81 0.495 3.574 -7.902 1.00 0.00 H new ATOM 0 HA LEU A 81 0.110 0.658 -7.558 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -0.378 2.789 -5.457 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -0.481 1.052 -5.253 1.00 0.00 H new ATOM 0 HG LEU A 81 2.145 2.267 -6.050 1.00 0.00 H new ATOM 0 HD11 LEU A 81 2.711 2.585 -3.674 1.00 0.00 H new ATOM 0 HD12 LEU A 81 1.382 3.653 -4.185 1.00 0.00 H new ATOM 0 HD13 LEU A 81 1.033 2.194 -3.227 1.00 0.00 H new ATOM 0 HD21 LEU A 81 3.016 0.377 -4.730 1.00 0.00 H new ATOM 0 HD22 LEU A 81 1.350 -0.101 -4.325 1.00 0.00 H new ATOM 0 HD23 LEU A 81 1.909 -0.168 -6.013 1.00 0.00 H new ATOM 1204 N THR A 82 -2.363 0.847 -7.790 1.00 0.00 N ATOM 1205 CA THR A 82 -3.777 0.947 -8.126 1.00 0.00 C ATOM 1206 C THR A 82 -4.649 0.802 -6.884 1.00 0.00 C ATOM 1207 O THR A 82 -4.969 -0.311 -6.464 1.00 0.00 O ATOM 1208 CB THR A 82 -4.188 -0.122 -9.155 1.00 0.00 C ATOM 1209 OG1 THR A 82 -3.244 -0.154 -10.232 1.00 0.00 O ATOM 1210 CG2 THR A 82 -5.579 0.159 -9.702 1.00 0.00 C ATOM 0 H THR A 82 -2.018 -0.109 -7.699 1.00 0.00 H new ATOM 0 HA THR A 82 -3.929 1.935 -8.560 1.00 0.00 H new ATOM 0 HB THR A 82 -4.201 -1.090 -8.654 1.00 0.00 H new ATOM 0 HG1 THR A 82 -3.697 -0.432 -11.055 1.00 0.00 H new ATOM 0 HG21 THR A 82 -5.847 -0.610 -10.427 1.00 0.00 H new ATOM 0 HG22 THR A 82 -6.300 0.154 -8.884 1.00 0.00 H new ATOM 0 HG23 THR A 82 -5.589 1.135 -10.188 1.00 0.00 H new ATOM 1218 N LEU A 83 -5.031 1.932 -6.300 1.00 0.00 N ATOM 1219 CA LEU A 83 -5.868 1.931 -5.105 1.00 0.00 C ATOM 1220 C LEU A 83 -7.347 1.881 -5.475 1.00 0.00 C ATOM 1221 O LEU A 83 -7.768 2.468 -6.473 1.00 0.00 O ATOM 1222 CB LEU A 83 -5.585 3.173 -4.258 1.00 0.00 C ATOM 1223 CG LEU A 83 -4.120 3.416 -3.891 1.00 0.00 C ATOM 1224 CD1 LEU A 83 -3.931 4.824 -3.350 1.00 0.00 C ATOM 1225 CD2 LEU A 83 -3.647 2.384 -2.877 1.00 0.00 C ATOM 0 H LEU A 83 -4.775 2.861 -6.634 1.00 0.00 H new ATOM 0 HA LEU A 83 -5.627 1.040 -4.525 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -5.954 4.047 -4.796 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -6.162 3.099 -3.336 1.00 0.00 H new ATOM 0 HG LEU A 83 -3.517 3.313 -4.793 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -2.883 4.978 -3.094 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -4.230 5.548 -4.108 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -4.545 4.957 -2.459 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -2.603 2.572 -2.627 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -4.255 2.455 -1.975 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -3.745 1.385 -3.302 1.00 0.00 H new ATOM 1237 N LEU A 84 -8.131 1.179 -4.665 1.00 0.00 N ATOM 1238 CA LEU A 84 -9.564 1.054 -4.906 1.00 0.00 C ATOM 1239 C LEU A 84 -10.356 1.322 -3.630 1.00 0.00 C ATOM 1240 O LEU A 84 -9.996 0.850 -2.553 1.00 0.00 O ATOM 1241 CB LEU A 84 -9.892 -0.342 -5.439 1.00 0.00 C ATOM 1242 CG LEU A 84 -11.378 -0.680 -5.565 1.00 0.00 C ATOM 1243 CD1 LEU A 84 -12.116 0.424 -6.305 1.00 0.00 C ATOM 1244 CD2 LEU A 84 -11.562 -2.015 -6.273 1.00 0.00 C ATOM 0 H LEU A 84 -7.799 0.687 -3.835 1.00 0.00 H new ATOM 0 HA LEU A 84 -9.848 1.797 -5.651 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -9.430 -0.452 -6.420 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -9.427 -1.078 -4.783 1.00 0.00 H new ATOM 0 HG LEU A 84 -11.799 -0.761 -4.563 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -13.172 0.166 -6.385 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -12.012 1.361 -5.758 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -11.694 0.538 -7.303 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -12.625 -2.240 -6.354 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -11.125 -1.961 -7.270 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -11.067 -2.801 -5.702 1.00 0.00 H new