USER MOD reduce.3.24.130724 H: found=0, std=0, add=591, rem=0, adj=13 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 60 MET CE :methyl 163:sc= -0.0586 (180deg=-0.612) USER MOD Set 1.2: A 62 THR OG1 : rot 45:sc= -0.635 USER MOD Set 2.1: A 57 ASN : amide:sc= -7.34! C(o=-7.1!,f=-7.7!) USER MOD Set 2.2: A 59 THR OG1 : rot 84:sc= 0.245 USER MOD Single : A 9 GLN : amide:sc= -0.625 K(o=-0.63,f=-5.1!) USER MOD Single : A 11 CYS SG : rot 27:sc= 0.263 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= -1.19 K(o=-1.2,f=-0.18!) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= -0.758 USER MOD Single : A 66 HIS : no HE2:sc= -3.68! C(o=-3.7!,f=-5.6!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N VAL A 8 -14.767 1.843 -9.128 1.00 0.00 N ATOM 67 CA VAL A 8 -13.694 2.559 -9.808 1.00 0.00 C ATOM 68 C VAL A 8 -12.440 2.618 -8.944 1.00 0.00 C ATOM 69 O VAL A 8 -12.516 2.847 -7.737 1.00 0.00 O ATOM 70 CB VAL A 8 -14.120 3.993 -10.174 1.00 0.00 C ATOM 71 CG1 VAL A 8 -14.343 4.821 -8.917 1.00 0.00 C ATOM 72 CG2 VAL A 8 -13.081 4.644 -11.074 1.00 0.00 C ATOM 0 HA VAL A 8 -13.476 2.008 -10.723 1.00 0.00 H new ATOM 0 HB VAL A 8 -15.062 3.945 -10.721 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -14.643 5.831 -9.195 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -15.127 4.363 -8.314 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -13.419 4.863 -8.340 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -13.398 5.657 -11.323 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -12.123 4.681 -10.556 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -12.976 4.062 -11.989 1.00 0.00 H new ATOM 82 N GLN A 9 -11.286 2.410 -9.570 1.00 0.00 N ATOM 83 CA GLN A 9 -10.014 2.440 -8.857 1.00 0.00 C ATOM 84 C GLN A 9 -9.291 3.762 -9.090 1.00 0.00 C ATOM 85 O GLN A 9 -9.575 4.476 -10.052 1.00 0.00 O ATOM 86 CB GLN A 9 -9.128 1.275 -9.303 1.00 0.00 C ATOM 87 CG GLN A 9 -9.912 0.046 -9.734 1.00 0.00 C ATOM 88 CD GLN A 9 -9.045 -1.195 -9.826 1.00 0.00 C ATOM 89 OE1 GLN A 9 -7.861 -1.166 -9.491 1.00 0.00 O ATOM 90 NE2 GLN A 9 -9.633 -2.295 -10.284 1.00 0.00 N ATOM 0 H GLN A 9 -11.206 2.219 -10.569 1.00 0.00 H new ATOM 0 HA GLN A 9 -10.221 2.343 -7.791 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -8.499 1.603 -10.131 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -8.461 1.002 -8.485 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -10.721 -0.132 -9.025 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -10.374 0.235 -10.703 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -10.617 -2.274 -10.550 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -9.100 -3.160 -10.369 1.00 0.00 H new ATOM 99 N ARG A 10 -8.355 4.083 -8.202 1.00 0.00 N ATOM 100 CA ARG A 10 -7.592 5.321 -8.311 1.00 0.00 C ATOM 101 C ARG A 10 -6.126 5.030 -8.622 1.00 0.00 C ATOM 102 O ARG A 10 -5.549 4.073 -8.104 1.00 0.00 O ATOM 103 CB ARG A 10 -7.699 6.126 -7.014 1.00 0.00 C ATOM 104 CG ARG A 10 -7.098 7.519 -7.111 1.00 0.00 C ATOM 105 CD ARG A 10 -8.032 8.479 -7.830 1.00 0.00 C ATOM 106 NE ARG A 10 -7.616 9.870 -7.668 1.00 0.00 N ATOM 107 CZ ARG A 10 -7.728 10.543 -6.529 1.00 0.00 C ATOM 108 NH1 ARG A 10 -8.240 9.955 -5.456 1.00 0.00 N ATOM 109 NH2 ARG A 10 -7.328 11.806 -6.460 1.00 0.00 N ATOM 0 H ARG A 10 -8.107 3.504 -7.400 1.00 0.00 H new ATOM 0 HA ARG A 10 -8.010 5.906 -9.130 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -8.749 6.211 -6.735 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -7.200 5.579 -6.214 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -6.887 7.896 -6.110 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -6.147 7.470 -7.641 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -8.061 8.230 -8.891 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -9.045 8.356 -7.446 1.00 0.00 H new ATOM 0 HE ARG A 10 -7.217 10.351 -8.475 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -8.549 8.984 -5.505 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -8.325 10.474 -4.582 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -6.934 12.262 -7.283 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -7.415 12.321 -5.584 1.00 0.00 H new ATOM 123 N CYS A 11 -5.531 5.862 -9.470 1.00 0.00 N ATOM 124 CA CYS A 11 -4.134 5.693 -9.852 1.00 0.00 C ATOM 125 C CYS A 11 -3.246 6.695 -9.121 1.00 0.00 C ATOM 126 O CYS A 11 -3.525 7.894 -9.108 1.00 0.00 O ATOM 127 CB CYS A 11 -3.973 5.859 -11.364 1.00 0.00 C ATOM 128 SG CYS A 11 -4.411 7.503 -11.977 1.00 0.00 S ATOM 0 H CYS A 11 -5.994 6.660 -9.906 1.00 0.00 H new ATOM 0 HA CYS A 11 -3.825 4.687 -9.570 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -2.939 5.646 -11.634 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -4.593 5.118 -11.868 1.00 0.00 H new ATOM 0 HG CYS A 11 -4.230 8.380 -11.035 1.00 0.00 H new ATOM 134 N VAL A 12 -2.176 6.195 -8.511 1.00 0.00 N ATOM 135 CA VAL A 12 -1.247 7.046 -7.777 1.00 0.00 C ATOM 136 C VAL A 12 0.198 6.636 -8.038 1.00 0.00 C ATOM 137 O VAL A 12 0.487 5.463 -8.275 1.00 0.00 O ATOM 138 CB VAL A 12 -1.518 6.995 -6.261 1.00 0.00 C ATOM 139 CG1 VAL A 12 -1.177 5.622 -5.703 1.00 0.00 C ATOM 140 CG2 VAL A 12 -0.731 8.082 -5.543 1.00 0.00 C ATOM 0 H VAL A 12 -1.931 5.205 -8.511 1.00 0.00 H new ATOM 0 HA VAL A 12 -1.402 8.065 -8.133 1.00 0.00 H new ATOM 0 HB VAL A 12 -2.580 7.175 -6.093 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.375 5.605 -4.631 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.788 4.867 -6.197 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -0.123 5.409 -5.881 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.934 8.032 -4.473 1.00 0.00 H new ATOM 0 HG22 VAL A 12 0.335 7.935 -5.717 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -1.029 9.059 -5.923 1.00 0.00 H new ATOM 150 N ILE A 13 1.101 7.610 -7.992 1.00 0.00 N ATOM 151 CA ILE A 13 2.516 7.350 -8.222 1.00 0.00 C ATOM 152 C ILE A 13 3.386 8.159 -7.266 1.00 0.00 C ATOM 153 O ILE A 13 3.300 9.387 -7.222 1.00 0.00 O ATOM 154 CB ILE A 13 2.921 7.679 -9.671 1.00 0.00 C ATOM 155 CG1 ILE A 13 2.115 6.828 -10.655 1.00 0.00 C ATOM 156 CG2 ILE A 13 4.413 7.456 -9.868 1.00 0.00 C ATOM 157 CD1 ILE A 13 2.164 7.340 -12.077 1.00 0.00 C ATOM 0 H ILE A 13 0.877 8.586 -7.798 1.00 0.00 H new ATOM 0 HA ILE A 13 2.675 6.287 -8.042 1.00 0.00 H new ATOM 0 HB ILE A 13 2.702 8.729 -9.864 1.00 0.00 H new ATOM 0 HG12 ILE A 13 2.492 5.806 -10.632 1.00 0.00 H new ATOM 0 HG13 ILE A 13 1.076 6.792 -10.326 1.00 0.00 H new ATOM 0 HG21 ILE A 13 4.684 7.693 -10.897 1.00 0.00 H new ATOM 0 HG22 ILE A 13 4.970 8.101 -9.189 1.00 0.00 H new ATOM 0 HG23 ILE A 13 4.656 6.414 -9.660 1.00 0.00 H new ATOM 0 HD11 ILE A 13 1.571 6.688 -12.719 1.00 0.00 H new ATOM 0 HD12 ILE A 13 1.759 8.351 -12.114 1.00 0.00 H new ATOM 0 HD13 ILE A 13 3.197 7.350 -12.425 1.00 0.00 H new ATOM 169 N ILE A 14 4.225 7.464 -6.505 1.00 0.00 N ATOM 170 CA ILE A 14 5.113 8.119 -5.553 1.00 0.00 C ATOM 171 C ILE A 14 6.543 8.169 -6.080 1.00 0.00 C ATOM 172 O ILE A 14 7.040 7.196 -6.646 1.00 0.00 O ATOM 173 CB ILE A 14 5.105 7.401 -4.190 1.00 0.00 C ATOM 174 CG1 ILE A 14 3.672 7.259 -3.672 1.00 0.00 C ATOM 175 CG2 ILE A 14 5.964 8.157 -3.188 1.00 0.00 C ATOM 176 CD1 ILE A 14 3.501 6.145 -2.664 1.00 0.00 C ATOM 0 H ILE A 14 4.308 6.448 -6.529 1.00 0.00 H new ATOM 0 HA ILE A 14 4.741 9.135 -5.422 1.00 0.00 H new ATOM 0 HB ILE A 14 5.525 6.403 -4.319 1.00 0.00 H new ATOM 0 HG12 ILE A 14 3.364 8.200 -3.217 1.00 0.00 H new ATOM 0 HG13 ILE A 14 3.005 7.080 -4.516 1.00 0.00 H new ATOM 0 HG21 ILE A 14 5.948 7.637 -2.230 1.00 0.00 H new ATOM 0 HG22 ILE A 14 6.989 8.211 -3.555 1.00 0.00 H new ATOM 0 HG23 ILE A 14 5.571 9.166 -3.060 1.00 0.00 H new ATOM 0 HD11 ILE A 14 2.461 6.103 -2.341 1.00 0.00 H new ATOM 0 HD12 ILE A 14 3.777 5.195 -3.121 1.00 0.00 H new ATOM 0 HD13 ILE A 14 4.141 6.333 -1.802 1.00 0.00 H new ATOM 188 N GLN A 15 7.199 9.309 -5.888 1.00 0.00 N ATOM 189 CA GLN A 15 8.572 9.486 -6.343 1.00 0.00 C ATOM 190 C GLN A 15 9.512 9.710 -5.163 1.00 0.00 C ATOM 191 O GLN A 15 9.206 10.476 -4.248 1.00 0.00 O ATOM 192 CB GLN A 15 8.663 10.664 -7.314 1.00 0.00 C ATOM 193 CG GLN A 15 8.597 12.021 -6.632 1.00 0.00 C ATOM 194 CD GLN A 15 8.359 13.155 -7.610 1.00 0.00 C ATOM 195 OE1 GLN A 15 7.217 13.523 -7.885 1.00 0.00 O ATOM 196 NE2 GLN A 15 9.439 13.716 -8.140 1.00 0.00 N ATOM 0 H GLN A 15 6.801 10.124 -5.420 1.00 0.00 H new ATOM 0 HA GLN A 15 8.877 8.576 -6.859 1.00 0.00 H new ATOM 0 HB2 GLN A 15 9.596 10.592 -7.873 1.00 0.00 H new ATOM 0 HB3 GLN A 15 7.852 10.591 -8.038 1.00 0.00 H new ATOM 0 HG2 GLN A 15 7.798 12.012 -5.890 1.00 0.00 H new ATOM 0 HG3 GLN A 15 9.529 12.199 -6.095 1.00 0.00 H new ATOM 0 HE21 GLN A 15 10.367 13.379 -7.883 1.00 0.00 H new ATOM 0 HE22 GLN A 15 9.341 14.484 -8.804 1.00 0.00 H new ATOM 205 N LYS A 16 10.658 9.038 -5.189 1.00 0.00 N ATOM 206 CA LYS A 16 11.644 9.164 -4.123 1.00 0.00 C ATOM 207 C LYS A 16 12.043 10.623 -3.920 1.00 0.00 C ATOM 208 O LYS A 16 12.215 11.369 -4.884 1.00 0.00 O ATOM 209 CB LYS A 16 12.884 8.326 -4.445 1.00 0.00 C ATOM 210 CG LYS A 16 13.621 8.785 -5.691 1.00 0.00 C ATOM 211 CD LYS A 16 14.499 7.681 -6.257 1.00 0.00 C ATOM 212 CE LYS A 16 15.785 7.527 -5.459 1.00 0.00 C ATOM 213 NZ LYS A 16 16.577 6.348 -5.906 1.00 0.00 N ATOM 0 H LYS A 16 10.927 8.400 -5.938 1.00 0.00 H new ATOM 0 HA LYS A 16 11.194 8.797 -3.201 1.00 0.00 H new ATOM 0 HB2 LYS A 16 13.566 8.361 -3.596 1.00 0.00 H new ATOM 0 HB3 LYS A 16 12.586 7.285 -4.572 1.00 0.00 H new ATOM 0 HG2 LYS A 16 12.901 9.101 -6.445 1.00 0.00 H new ATOM 0 HG3 LYS A 16 14.235 9.654 -5.453 1.00 0.00 H new ATOM 0 HD2 LYS A 16 13.950 6.739 -6.250 1.00 0.00 H new ATOM 0 HD3 LYS A 16 14.739 7.903 -7.297 1.00 0.00 H new ATOM 0 HE2 LYS A 16 16.387 8.430 -5.563 1.00 0.00 H new ATOM 0 HE3 LYS A 16 15.546 7.424 -4.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 17.445 6.278 -5.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 16.012 5.484 -5.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 16.828 6.458 -6.909 1.00 0.00 H new ATOM 281 N PHE A 21 11.269 5.988 0.151 1.00 0.00 N ATOM 282 CA PHE A 21 9.836 5.880 0.396 1.00 0.00 C ATOM 283 C PHE A 21 9.538 5.892 1.893 1.00 0.00 C ATOM 284 O PHE A 21 10.370 5.490 2.706 1.00 0.00 O ATOM 285 CB PHE A 21 9.283 4.600 -0.235 1.00 0.00 C ATOM 286 CG PHE A 21 9.713 4.401 -1.660 1.00 0.00 C ATOM 287 CD1 PHE A 21 9.287 5.268 -2.653 1.00 0.00 C ATOM 288 CD2 PHE A 21 10.543 3.347 -2.007 1.00 0.00 C ATOM 289 CE1 PHE A 21 9.680 5.087 -3.966 1.00 0.00 C ATOM 290 CE2 PHE A 21 10.940 3.161 -3.317 1.00 0.00 C ATOM 291 CZ PHE A 21 10.509 4.032 -4.298 1.00 0.00 C ATOM 0 HA PHE A 21 9.349 6.741 -0.061 1.00 0.00 H new ATOM 0 HB2 PHE A 21 9.606 3.744 0.357 1.00 0.00 H new ATOM 0 HB3 PHE A 21 8.194 4.624 -0.192 1.00 0.00 H new ATOM 0 HD1 PHE A 21 8.640 6.095 -2.398 1.00 0.00 H new ATOM 0 HD2 PHE A 21 10.884 2.663 -1.244 1.00 0.00 H new ATOM 0 HE1 PHE A 21 9.340 5.769 -4.731 1.00 0.00 H new ATOM 0 HE2 PHE A 21 11.587 2.335 -3.574 1.00 0.00 H new ATOM 0 HZ PHE A 21 10.819 3.889 -5.323 1.00 0.00 H new ATOM 301 N GLY A 22 8.344 6.356 2.249 1.00 0.00 N ATOM 302 CA GLY A 22 7.957 6.413 3.647 1.00 0.00 C ATOM 303 C GLY A 22 6.623 5.742 3.907 1.00 0.00 C ATOM 304 O GLY A 22 5.790 6.266 4.646 1.00 0.00 O ATOM 0 H GLY A 22 7.638 6.693 1.595 1.00 0.00 H new ATOM 0 HA2 GLY A 22 8.726 5.934 4.253 1.00 0.00 H new ATOM 0 HA3 GLY A 22 7.904 7.455 3.964 1.00 0.00 H new ATOM 308 N PHE A 23 6.419 4.579 3.297 1.00 0.00 N ATOM 309 CA PHE A 23 5.175 3.836 3.464 1.00 0.00 C ATOM 310 C PHE A 23 5.451 2.345 3.638 1.00 0.00 C ATOM 311 O PHE A 23 6.297 1.774 2.949 1.00 0.00 O ATOM 312 CB PHE A 23 4.257 4.060 2.261 1.00 0.00 C ATOM 313 CG PHE A 23 4.522 3.117 1.122 1.00 0.00 C ATOM 314 CD1 PHE A 23 5.558 3.358 0.233 1.00 0.00 C ATOM 315 CD2 PHE A 23 3.736 1.991 0.939 1.00 0.00 C ATOM 316 CE1 PHE A 23 5.803 2.493 -0.817 1.00 0.00 C ATOM 317 CE2 PHE A 23 3.977 1.122 -0.108 1.00 0.00 C ATOM 318 CZ PHE A 23 5.013 1.373 -0.987 1.00 0.00 C ATOM 0 H PHE A 23 7.099 4.131 2.683 1.00 0.00 H new ATOM 0 HA PHE A 23 4.680 4.203 4.363 1.00 0.00 H new ATOM 0 HB2 PHE A 23 3.220 3.950 2.580 1.00 0.00 H new ATOM 0 HB3 PHE A 23 4.376 5.085 1.909 1.00 0.00 H new ATOM 0 HD1 PHE A 23 6.180 4.231 0.362 1.00 0.00 H new ATOM 0 HD2 PHE A 23 2.925 1.790 1.623 1.00 0.00 H new ATOM 0 HE1 PHE A 23 6.612 2.693 -1.504 1.00 0.00 H new ATOM 0 HE2 PHE A 23 3.356 0.248 -0.239 1.00 0.00 H new ATOM 0 HZ PHE A 23 5.205 0.695 -1.805 1.00 0.00 H new ATOM 328 N THR A 24 4.732 1.720 4.564 1.00 0.00 N ATOM 329 CA THR A 24 4.899 0.297 4.830 1.00 0.00 C ATOM 330 C THR A 24 3.584 -0.454 4.655 1.00 0.00 C ATOM 331 O THR A 24 2.520 0.042 5.029 1.00 0.00 O ATOM 332 CB THR A 24 5.432 0.051 6.255 1.00 0.00 C ATOM 333 OG1 THR A 24 4.516 0.582 7.219 1.00 0.00 O ATOM 334 CG2 THR A 24 6.799 0.692 6.439 1.00 0.00 C ATOM 0 H THR A 24 4.028 2.177 5.143 1.00 0.00 H new ATOM 0 HA THR A 24 5.626 -0.076 4.108 1.00 0.00 H new ATOM 0 HB THR A 24 5.530 -1.025 6.402 1.00 0.00 H new ATOM 0 HG1 THR A 24 4.861 0.420 8.122 1.00 0.00 H new ATOM 0 HG21 THR A 24 7.155 0.505 7.452 1.00 0.00 H new ATOM 0 HG22 THR A 24 7.501 0.264 5.723 1.00 0.00 H new ATOM 0 HG23 THR A 24 6.722 1.767 6.274 1.00 0.00 H new ATOM 342 N VAL A 25 3.663 -1.652 4.086 1.00 0.00 N ATOM 343 CA VAL A 25 2.478 -2.472 3.863 1.00 0.00 C ATOM 344 C VAL A 25 2.634 -3.848 4.502 1.00 0.00 C ATOM 345 O VAL A 25 3.681 -4.167 5.066 1.00 0.00 O ATOM 346 CB VAL A 25 2.190 -2.646 2.360 1.00 0.00 C ATOM 347 CG1 VAL A 25 1.806 -1.315 1.732 1.00 0.00 C ATOM 348 CG2 VAL A 25 3.395 -3.250 1.654 1.00 0.00 C ATOM 0 H VAL A 25 4.535 -2.077 3.771 1.00 0.00 H new ATOM 0 HA VAL A 25 1.641 -1.951 4.328 1.00 0.00 H new ATOM 0 HB VAL A 25 1.349 -3.330 2.245 1.00 0.00 H new ATOM 0 HG11 VAL A 25 1.606 -1.458 0.670 1.00 0.00 H new ATOM 0 HG12 VAL A 25 0.912 -0.927 2.220 1.00 0.00 H new ATOM 0 HG13 VAL A 25 2.624 -0.605 1.855 1.00 0.00 H new ATOM 0 HG21 VAL A 25 3.175 -3.366 0.593 1.00 0.00 H new ATOM 0 HG22 VAL A 25 4.256 -2.592 1.776 1.00 0.00 H new ATOM 0 HG23 VAL A 25 3.619 -4.225 2.087 1.00 0.00 H new ATOM 358 N SER A 26 1.585 -4.659 4.409 1.00 0.00 N ATOM 359 CA SER A 26 1.604 -6.001 4.981 1.00 0.00 C ATOM 360 C SER A 26 0.334 -6.764 4.617 1.00 0.00 C ATOM 361 O SER A 26 -0.719 -6.169 4.393 1.00 0.00 O ATOM 362 CB SER A 26 1.751 -5.927 6.502 1.00 0.00 C ATOM 363 OG SER A 26 1.571 -7.202 7.094 1.00 0.00 O ATOM 0 H SER A 26 0.712 -4.411 3.944 1.00 0.00 H new ATOM 0 HA SER A 26 2.459 -6.535 4.566 1.00 0.00 H new ATOM 0 HB2 SER A 26 2.738 -5.540 6.757 1.00 0.00 H new ATOM 0 HB3 SER A 26 1.020 -5.228 6.908 1.00 0.00 H new ATOM 0 HG SER A 26 1.672 -7.128 8.066 1.00 0.00 H new ATOM 369 N GLY A 27 0.443 -8.088 4.561 1.00 0.00 N ATOM 370 CA GLY A 27 -0.703 -8.913 4.224 1.00 0.00 C ATOM 371 C GLY A 27 -0.379 -9.952 3.170 1.00 0.00 C ATOM 372 O GLY A 27 0.283 -9.652 2.176 1.00 0.00 O ATOM 0 H GLY A 27 1.304 -8.604 4.743 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -1.064 -9.412 5.123 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -1.512 -8.277 3.866 1.00 0.00 H new ATOM 376 N ASP A 28 -0.845 -11.177 3.386 1.00 0.00 N ATOM 377 CA ASP A 28 -0.601 -12.265 2.446 1.00 0.00 C ATOM 378 C ASP A 28 -1.551 -12.178 1.255 1.00 0.00 C ATOM 379 O ASP A 28 -1.152 -11.789 0.158 1.00 0.00 O ATOM 380 CB ASP A 28 -0.761 -13.616 3.144 1.00 0.00 C ATOM 381 CG ASP A 28 -0.419 -14.781 2.237 1.00 0.00 C ATOM 382 OD1 ASP A 28 -1.212 -15.069 1.316 1.00 0.00 O ATOM 383 OD2 ASP A 28 0.643 -15.404 2.447 1.00 0.00 O ATOM 0 H ASP A 28 -1.394 -11.442 4.204 1.00 0.00 H new ATOM 0 HA ASP A 28 0.421 -12.173 2.080 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -0.119 -13.645 4.025 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -1.788 -13.721 3.494 1.00 0.00 H new ATOM 388 N ARG A 29 -2.809 -12.544 1.480 1.00 0.00 N ATOM 389 CA ARG A 29 -3.814 -12.510 0.426 1.00 0.00 C ATOM 390 C ARG A 29 -3.929 -11.110 -0.171 1.00 0.00 C ATOM 391 O ARG A 29 -3.902 -10.941 -1.391 1.00 0.00 O ATOM 392 CB ARG A 29 -5.172 -12.955 0.972 1.00 0.00 C ATOM 393 CG ARG A 29 -6.054 -13.631 -0.065 1.00 0.00 C ATOM 394 CD ARG A 29 -6.890 -12.619 -0.831 1.00 0.00 C ATOM 395 NE ARG A 29 -7.980 -12.083 -0.020 1.00 0.00 N ATOM 396 CZ ARG A 29 -8.906 -11.254 -0.488 1.00 0.00 C ATOM 397 NH1 ARG A 29 -8.876 -10.869 -1.756 1.00 0.00 N ATOM 398 NH2 ARG A 29 -9.867 -10.810 0.313 1.00 0.00 N ATOM 0 H ARG A 29 -3.156 -12.867 2.383 1.00 0.00 H new ATOM 0 HA ARG A 29 -3.502 -13.198 -0.360 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -5.012 -13.641 1.804 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -5.696 -12.086 1.371 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -5.432 -14.193 -0.762 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -6.710 -14.349 0.427 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -6.252 -11.801 -1.166 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -7.301 -13.090 -1.724 1.00 0.00 H new ATOM 0 HE ARG A 29 -8.033 -12.361 0.960 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -8.140 -11.210 -2.375 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -9.589 -10.232 -2.113 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -9.895 -11.106 1.289 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -10.578 -10.173 -0.047 1.00 0.00 H new ATOM 412 N ILE A 30 -4.056 -10.111 0.696 1.00 0.00 N ATOM 413 CA ILE A 30 -4.174 -8.727 0.254 1.00 0.00 C ATOM 414 C ILE A 30 -3.058 -7.867 0.838 1.00 0.00 C ATOM 415 O ILE A 30 -2.352 -8.286 1.756 1.00 0.00 O ATOM 416 CB ILE A 30 -5.534 -8.123 0.651 1.00 0.00 C ATOM 417 CG1 ILE A 30 -6.648 -9.155 0.467 1.00 0.00 C ATOM 418 CG2 ILE A 30 -5.819 -6.875 -0.170 1.00 0.00 C ATOM 419 CD1 ILE A 30 -8.028 -8.615 0.769 1.00 0.00 C ATOM 0 H ILE A 30 -4.080 -10.234 1.708 1.00 0.00 H new ATOM 0 HA ILE A 30 -4.093 -8.735 -0.833 1.00 0.00 H new ATOM 0 HB ILE A 30 -5.497 -7.841 1.703 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -6.627 -9.521 -0.559 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -6.451 -10.009 1.115 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -6.784 -6.460 0.122 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -5.037 -6.136 0.007 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -5.841 -7.133 -1.229 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -8.768 -9.401 0.617 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -8.067 -8.275 1.804 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -8.245 -7.779 0.104 1.00 0.00 H new ATOM 431 N VAL A 31 -2.906 -6.660 0.302 1.00 0.00 N ATOM 432 CA VAL A 31 -1.878 -5.739 0.771 1.00 0.00 C ATOM 433 C VAL A 31 -2.465 -4.361 1.057 1.00 0.00 C ATOM 434 O VAL A 31 -2.941 -3.677 0.150 1.00 0.00 O ATOM 435 CB VAL A 31 -0.740 -5.598 -0.256 1.00 0.00 C ATOM 436 CG1 VAL A 31 0.379 -4.731 0.303 1.00 0.00 C ATOM 437 CG2 VAL A 31 -0.214 -6.967 -0.660 1.00 0.00 C ATOM 0 H VAL A 31 -3.482 -6.297 -0.458 1.00 0.00 H new ATOM 0 HA VAL A 31 -1.474 -6.157 1.693 1.00 0.00 H new ATOM 0 HB VAL A 31 -1.136 -5.109 -1.146 1.00 0.00 H new ATOM 0 HG11 VAL A 31 1.175 -4.642 -0.437 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -0.011 -3.740 0.537 1.00 0.00 H new ATOM 0 HG13 VAL A 31 0.775 -5.188 1.209 1.00 0.00 H new ATOM 0 HG21 VAL A 31 0.590 -6.848 -1.386 1.00 0.00 H new ATOM 0 HG22 VAL A 31 0.166 -7.485 0.220 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -1.021 -7.550 -1.104 1.00 0.00 H new ATOM 447 N LEU A 32 -2.427 -3.959 2.322 1.00 0.00 N ATOM 448 CA LEU A 32 -2.954 -2.660 2.728 1.00 0.00 C ATOM 449 C LEU A 32 -1.866 -1.809 3.375 1.00 0.00 C ATOM 450 O LEU A 32 -0.896 -2.333 3.922 1.00 0.00 O ATOM 451 CB LEU A 32 -4.120 -2.843 3.701 1.00 0.00 C ATOM 452 CG LEU A 32 -5.252 -3.756 3.228 1.00 0.00 C ATOM 453 CD1 LEU A 32 -6.118 -4.186 4.402 1.00 0.00 C ATOM 454 CD2 LEU A 32 -6.094 -3.057 2.170 1.00 0.00 C ATOM 0 H LEU A 32 -2.037 -4.513 3.085 1.00 0.00 H new ATOM 0 HA LEU A 32 -3.310 -2.145 1.836 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -3.727 -3.240 4.637 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.540 -1.862 3.922 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.811 -4.648 2.783 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -6.918 -4.835 4.046 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.508 -4.726 5.126 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -6.550 -3.305 4.877 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -6.895 -3.721 1.845 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -6.525 -2.148 2.590 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.466 -2.800 1.317 1.00 0.00 H new ATOM 466 N VAL A 33 -2.036 -0.492 3.311 1.00 0.00 N ATOM 467 CA VAL A 33 -1.071 0.432 3.893 1.00 0.00 C ATOM 468 C VAL A 33 -1.086 0.356 5.416 1.00 0.00 C ATOM 469 O VAL A 33 -2.027 0.818 6.060 1.00 0.00 O ATOM 470 CB VAL A 33 -1.352 1.884 3.460 1.00 0.00 C ATOM 471 CG1 VAL A 33 -0.369 2.838 4.121 1.00 0.00 C ATOM 472 CG2 VAL A 33 -1.293 2.008 1.945 1.00 0.00 C ATOM 0 H VAL A 33 -2.833 -0.042 2.862 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.088 0.135 3.527 1.00 0.00 H new ATOM 0 HB VAL A 33 -2.357 2.154 3.785 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.583 3.859 3.803 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -0.466 2.767 5.204 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.647 2.573 3.830 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.494 3.040 1.656 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.302 1.719 1.595 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.041 1.354 1.497 1.00 0.00 H new ATOM 482 N GLN A 34 -0.037 -0.231 5.984 1.00 0.00 N ATOM 483 CA GLN A 34 0.070 -0.368 7.431 1.00 0.00 C ATOM 484 C GLN A 34 0.227 0.995 8.097 1.00 0.00 C ATOM 485 O GLN A 34 -0.528 1.345 9.004 1.00 0.00 O ATOM 486 CB GLN A 34 1.254 -1.265 7.794 1.00 0.00 C ATOM 487 CG GLN A 34 1.242 -1.734 9.240 1.00 0.00 C ATOM 488 CD GLN A 34 2.490 -2.511 9.612 1.00 0.00 C ATOM 489 OE1 GLN A 34 2.646 -3.674 9.238 1.00 0.00 O ATOM 490 NE2 GLN A 34 3.387 -1.871 10.352 1.00 0.00 N ATOM 0 H GLN A 34 0.750 -0.619 5.464 1.00 0.00 H new ATOM 0 HA GLN A 34 -0.849 -0.827 7.796 1.00 0.00 H new ATOM 0 HB2 GLN A 34 1.254 -2.136 7.138 1.00 0.00 H new ATOM 0 HB3 GLN A 34 2.181 -0.724 7.604 1.00 0.00 H new ATOM 0 HG2 GLN A 34 1.147 -0.870 9.897 1.00 0.00 H new ATOM 0 HG3 GLN A 34 0.365 -2.360 9.408 1.00 0.00 H new ATOM 0 HE21 GLN A 34 3.217 -0.907 10.640 1.00 0.00 H new ATOM 0 HE22 GLN A 34 4.247 -2.343 10.633 1.00 0.00 H new ATOM 499 N SER A 35 1.213 1.761 7.641 1.00 0.00 N ATOM 500 CA SER A 35 1.472 3.085 8.195 1.00 0.00 C ATOM 501 C SER A 35 2.138 3.986 7.160 1.00 0.00 C ATOM 502 O SER A 35 2.758 3.508 6.210 1.00 0.00 O ATOM 503 CB SER A 35 2.357 2.976 9.438 1.00 0.00 C ATOM 504 OG SER A 35 2.181 4.096 10.289 1.00 0.00 O ATOM 0 H SER A 35 1.846 1.487 6.889 1.00 0.00 H new ATOM 0 HA SER A 35 0.516 3.528 8.476 1.00 0.00 H new ATOM 0 HB2 SER A 35 2.117 2.062 9.981 1.00 0.00 H new ATOM 0 HB3 SER A 35 3.403 2.903 9.139 1.00 0.00 H new ATOM 0 HG SER A 35 2.756 4.002 11.077 1.00 0.00 H new ATOM 510 N VAL A 36 2.004 5.295 7.351 1.00 0.00 N ATOM 511 CA VAL A 36 2.593 6.265 6.436 1.00 0.00 C ATOM 512 C VAL A 36 3.381 7.328 7.194 1.00 0.00 C ATOM 513 O VAL A 36 2.837 8.027 8.049 1.00 0.00 O ATOM 514 CB VAL A 36 1.515 6.955 5.579 1.00 0.00 C ATOM 515 CG1 VAL A 36 2.147 7.976 4.645 1.00 0.00 C ATOM 516 CG2 VAL A 36 0.719 5.924 4.794 1.00 0.00 C ATOM 0 H VAL A 36 1.493 5.708 8.131 1.00 0.00 H new ATOM 0 HA VAL A 36 3.268 5.713 5.782 1.00 0.00 H new ATOM 0 HB VAL A 36 0.830 7.481 6.243 1.00 0.00 H new ATOM 0 HG11 VAL A 36 1.370 8.453 4.048 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.669 8.732 5.232 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.856 7.476 3.985 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -0.038 6.429 4.194 1.00 0.00 H new ATOM 0 HG22 VAL A 36 1.390 5.368 4.139 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.234 5.235 5.486 1.00 0.00 H new ATOM 526 N ARG A 37 4.666 7.444 6.874 1.00 0.00 N ATOM 527 CA ARG A 37 5.530 8.421 7.526 1.00 0.00 C ATOM 528 C ARG A 37 4.963 9.831 7.380 1.00 0.00 C ATOM 529 O ARG A 37 4.462 10.218 6.324 1.00 0.00 O ATOM 530 CB ARG A 37 6.939 8.363 6.934 1.00 0.00 C ATOM 531 CG ARG A 37 8.024 8.815 7.897 1.00 0.00 C ATOM 532 CD ARG A 37 9.410 8.460 7.382 1.00 0.00 C ATOM 533 NE ARG A 37 9.935 9.479 6.477 1.00 0.00 N ATOM 534 CZ ARG A 37 10.236 10.716 6.858 1.00 0.00 C ATOM 535 NH1 ARG A 37 10.064 11.085 8.120 1.00 0.00 N ATOM 536 NH2 ARG A 37 10.709 11.586 5.976 1.00 0.00 N ATOM 0 H ARG A 37 5.131 6.874 6.168 1.00 0.00 H new ATOM 0 HA ARG A 37 5.579 8.175 8.587 1.00 0.00 H new ATOM 0 HB2 ARG A 37 7.149 7.341 6.617 1.00 0.00 H new ATOM 0 HB3 ARG A 37 6.975 8.987 6.041 1.00 0.00 H new ATOM 0 HG2 ARG A 37 7.955 9.893 8.045 1.00 0.00 H new ATOM 0 HG3 ARG A 37 7.866 8.349 8.870 1.00 0.00 H new ATOM 0 HD2 ARG A 37 10.090 8.339 8.225 1.00 0.00 H new ATOM 0 HD3 ARG A 37 9.370 7.501 6.865 1.00 0.00 H new ATOM 0 HE ARG A 37 10.078 9.227 5.499 1.00 0.00 H new ATOM 0 HH11 ARG A 37 9.700 10.419 8.801 1.00 0.00 H new ATOM 0 HH12 ARG A 37 10.296 12.035 8.410 1.00 0.00 H new ATOM 0 HH21 ARG A 37 10.842 11.306 5.004 1.00 0.00 H new ATOM 0 HH22 ARG A 37 10.940 12.535 6.269 1.00 0.00 H new ATOM 550 N PRO A 38 5.043 10.616 8.464 1.00 0.00 N ATOM 551 CA PRO A 38 4.544 11.994 8.481 1.00 0.00 C ATOM 552 C PRO A 38 5.389 12.928 7.622 1.00 0.00 C ATOM 553 O PRO A 38 6.445 13.393 8.047 1.00 0.00 O ATOM 554 CB PRO A 38 4.644 12.389 9.957 1.00 0.00 C ATOM 555 CG PRO A 38 5.718 11.518 10.510 1.00 0.00 C ATOM 556 CD PRO A 38 5.628 10.220 9.756 1.00 0.00 C ATOM 0 HA PRO A 38 3.536 12.067 8.073 1.00 0.00 H new ATOM 0 HB2 PRO A 38 4.893 13.444 10.068 1.00 0.00 H new ATOM 0 HB3 PRO A 38 3.698 12.229 10.475 1.00 0.00 H new ATOM 0 HG2 PRO A 38 6.698 11.977 10.381 1.00 0.00 H new ATOM 0 HG3 PRO A 38 5.579 11.359 11.579 1.00 0.00 H new ATOM 0 HD2 PRO A 38 6.608 9.760 9.629 1.00 0.00 H new ATOM 0 HD3 PRO A 38 5.001 9.496 10.276 1.00 0.00 H new ATOM 564 N GLY A 39 4.916 13.199 6.409 1.00 0.00 N ATOM 565 CA GLY A 39 5.640 14.077 5.509 1.00 0.00 C ATOM 566 C GLY A 39 6.725 13.350 4.739 1.00 0.00 C ATOM 567 O GLY A 39 7.773 13.922 4.439 1.00 0.00 O ATOM 0 H GLY A 39 4.044 12.826 6.034 1.00 0.00 H new ATOM 0 HA2 GLY A 39 4.940 14.529 4.806 1.00 0.00 H new ATOM 0 HA3 GLY A 39 6.087 14.890 6.081 1.00 0.00 H new ATOM 571 N GLY A 40 6.476 12.084 4.420 1.00 0.00 N ATOM 572 CA GLY A 40 7.450 11.298 3.685 1.00 0.00 C ATOM 573 C GLY A 40 7.301 11.447 2.184 1.00 0.00 C ATOM 574 O GLY A 40 7.532 12.523 1.634 1.00 0.00 O ATOM 0 H GLY A 40 5.617 11.588 4.657 1.00 0.00 H new ATOM 0 HA2 GLY A 40 8.454 11.602 3.979 1.00 0.00 H new ATOM 0 HA3 GLY A 40 7.343 10.247 3.955 1.00 0.00 H new ATOM 578 N ALA A 41 6.916 10.362 1.519 1.00 0.00 N ATOM 579 CA ALA A 41 6.736 10.376 0.073 1.00 0.00 C ATOM 580 C ALA A 41 5.333 9.919 -0.310 1.00 0.00 C ATOM 581 O ALA A 41 4.640 10.588 -1.077 1.00 0.00 O ATOM 582 CB ALA A 41 7.781 9.497 -0.597 1.00 0.00 C ATOM 0 H ALA A 41 6.723 9.462 1.959 1.00 0.00 H new ATOM 0 HA ALA A 41 6.863 11.401 -0.274 1.00 0.00 H new ATOM 0 HB1 ALA A 41 7.635 9.517 -1.677 1.00 0.00 H new ATOM 0 HB2 ALA A 41 8.777 9.870 -0.359 1.00 0.00 H new ATOM 0 HB3 ALA A 41 7.681 8.473 -0.236 1.00 0.00 H new ATOM 588 N ALA A 42 4.920 8.776 0.227 1.00 0.00 N ATOM 589 CA ALA A 42 3.599 8.231 -0.058 1.00 0.00 C ATOM 590 C ALA A 42 2.507 9.250 0.248 1.00 0.00 C ATOM 591 O ALA A 42 1.641 9.516 -0.585 1.00 0.00 O ATOM 592 CB ALA A 42 3.371 6.955 0.738 1.00 0.00 C ATOM 0 H ALA A 42 5.482 8.209 0.862 1.00 0.00 H new ATOM 0 HA ALA A 42 3.552 7.996 -1.121 1.00 0.00 H new ATOM 0 HB1 ALA A 42 2.380 6.559 0.515 1.00 0.00 H new ATOM 0 HB2 ALA A 42 4.126 6.217 0.467 1.00 0.00 H new ATOM 0 HB3 ALA A 42 3.443 7.173 1.804 1.00 0.00 H new ATOM 598 N MET A 43 2.553 9.817 1.450 1.00 0.00 N ATOM 599 CA MET A 43 1.566 10.807 1.865 1.00 0.00 C ATOM 600 C MET A 43 1.427 11.908 0.818 1.00 0.00 C ATOM 601 O MET A 43 0.317 12.270 0.427 1.00 0.00 O ATOM 602 CB MET A 43 1.960 11.415 3.213 1.00 0.00 C ATOM 603 CG MET A 43 0.948 12.417 3.746 1.00 0.00 C ATOM 604 SD MET A 43 -0.514 11.624 4.440 1.00 0.00 S ATOM 605 CE MET A 43 0.079 11.191 6.074 1.00 0.00 C ATOM 0 H MET A 43 3.262 9.608 2.152 1.00 0.00 H new ATOM 0 HA MET A 43 0.604 10.305 1.968 1.00 0.00 H new ATOM 0 HB2 MET A 43 2.084 10.614 3.941 1.00 0.00 H new ATOM 0 HB3 MET A 43 2.928 11.907 3.112 1.00 0.00 H new ATOM 0 HG2 MET A 43 1.421 13.033 4.511 1.00 0.00 H new ATOM 0 HG3 MET A 43 0.646 13.086 2.940 1.00 0.00 H new ATOM 0 HE1 MET A 43 -0.715 10.690 6.628 1.00 0.00 H new ATOM 0 HE2 MET A 43 0.936 10.523 5.985 1.00 0.00 H new ATOM 0 HE3 MET A 43 0.377 12.095 6.604 1.00 0.00 H new ATOM 615 N LYS A 44 2.559 12.437 0.368 1.00 0.00 N ATOM 616 CA LYS A 44 2.564 13.496 -0.634 1.00 0.00 C ATOM 617 C LYS A 44 1.689 13.121 -1.826 1.00 0.00 C ATOM 618 O LYS A 44 0.944 13.951 -2.346 1.00 0.00 O ATOM 619 CB LYS A 44 3.994 13.774 -1.104 1.00 0.00 C ATOM 620 CG LYS A 44 4.934 14.183 0.016 1.00 0.00 C ATOM 621 CD LYS A 44 4.571 15.547 0.580 1.00 0.00 C ATOM 622 CE LYS A 44 5.608 16.030 1.582 1.00 0.00 C ATOM 623 NZ LYS A 44 5.105 17.174 2.392 1.00 0.00 N ATOM 0 H LYS A 44 3.486 12.149 0.682 1.00 0.00 H new ATOM 0 HA LYS A 44 2.157 14.398 -0.177 1.00 0.00 H new ATOM 0 HB2 LYS A 44 4.388 12.881 -1.590 1.00 0.00 H new ATOM 0 HB3 LYS A 44 3.973 14.563 -1.856 1.00 0.00 H new ATOM 0 HG2 LYS A 44 4.899 13.439 0.811 1.00 0.00 H new ATOM 0 HG3 LYS A 44 5.958 14.203 -0.357 1.00 0.00 H new ATOM 0 HD2 LYS A 44 4.487 16.267 -0.234 1.00 0.00 H new ATOM 0 HD3 LYS A 44 3.595 15.494 1.062 1.00 0.00 H new ATOM 0 HE2 LYS A 44 5.883 15.209 2.244 1.00 0.00 H new ATOM 0 HE3 LYS A 44 6.513 16.330 1.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 5.841 17.474 3.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 4.866 17.967 1.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 4.256 16.881 2.917 1.00 0.00 H new ATOM 637 N ALA A 45 1.785 11.866 -2.252 1.00 0.00 N ATOM 638 CA ALA A 45 0.999 11.381 -3.380 1.00 0.00 C ATOM 639 C ALA A 45 -0.473 11.248 -3.007 1.00 0.00 C ATOM 640 O ALA A 45 -1.354 11.410 -3.850 1.00 0.00 O ATOM 641 CB ALA A 45 1.545 10.047 -3.869 1.00 0.00 C ATOM 0 H ALA A 45 2.399 11.167 -1.833 1.00 0.00 H new ATOM 0 HA ALA A 45 1.077 12.111 -4.186 1.00 0.00 H new ATOM 0 HB1 ALA A 45 0.949 9.697 -4.711 1.00 0.00 H new ATOM 0 HB2 ALA A 45 2.581 10.171 -4.185 1.00 0.00 H new ATOM 0 HB3 ALA A 45 1.497 9.316 -3.062 1.00 0.00 H new ATOM 647 N GLY A 46 -0.733 10.951 -1.738 1.00 0.00 N ATOM 648 CA GLY A 46 -2.101 10.800 -1.276 1.00 0.00 C ATOM 649 C GLY A 46 -2.405 9.388 -0.817 1.00 0.00 C ATOM 650 O GLY A 46 -3.391 8.787 -1.244 1.00 0.00 O ATOM 0 H GLY A 46 -0.021 10.812 -1.021 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -2.282 11.493 -0.454 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -2.785 11.073 -2.080 1.00 0.00 H new ATOM 654 N VAL A 47 -1.556 8.855 0.056 1.00 0.00 N ATOM 655 CA VAL A 47 -1.738 7.504 0.573 1.00 0.00 C ATOM 656 C VAL A 47 -1.978 7.520 2.079 1.00 0.00 C ATOM 657 O VAL A 47 -1.191 8.085 2.838 1.00 0.00 O ATOM 658 CB VAL A 47 -0.517 6.616 0.268 1.00 0.00 C ATOM 659 CG1 VAL A 47 -0.759 5.192 0.746 1.00 0.00 C ATOM 660 CG2 VAL A 47 -0.198 6.642 -1.219 1.00 0.00 C ATOM 0 H VAL A 47 -0.735 9.339 0.420 1.00 0.00 H new ATOM 0 HA VAL A 47 -2.613 7.089 0.073 1.00 0.00 H new ATOM 0 HB VAL A 47 0.343 7.013 0.807 1.00 0.00 H new ATOM 0 HG11 VAL A 47 0.114 4.580 0.522 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -0.934 5.194 1.822 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.631 4.781 0.237 1.00 0.00 H new ATOM 0 HG21 VAL A 47 0.667 6.009 -1.417 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -1.055 6.271 -1.781 1.00 0.00 H new ATOM 0 HG23 VAL A 47 0.022 7.664 -1.526 1.00 0.00 H new ATOM 670 N LYS A 48 -3.071 6.896 2.504 1.00 0.00 N ATOM 671 CA LYS A 48 -3.416 6.835 3.920 1.00 0.00 C ATOM 672 C LYS A 48 -3.768 5.410 4.334 1.00 0.00 C ATOM 673 O LYS A 48 -4.183 4.599 3.507 1.00 0.00 O ATOM 674 CB LYS A 48 -4.591 7.769 4.220 1.00 0.00 C ATOM 675 CG LYS A 48 -5.835 7.464 3.404 1.00 0.00 C ATOM 676 CD LYS A 48 -5.798 8.154 2.051 1.00 0.00 C ATOM 677 CE LYS A 48 -6.973 7.737 1.180 1.00 0.00 C ATOM 678 NZ LYS A 48 -8.170 8.591 1.417 1.00 0.00 N ATOM 0 H LYS A 48 -3.734 6.425 1.888 1.00 0.00 H new ATOM 0 HA LYS A 48 -2.547 7.157 4.494 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -4.836 7.701 5.280 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -4.285 8.797 4.029 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -5.923 6.387 3.262 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -6.720 7.786 3.953 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -5.814 9.235 2.192 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -4.864 7.912 1.544 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -6.686 7.797 0.130 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -7.224 6.696 1.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -8.949 8.275 0.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -8.460 8.514 2.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -7.939 9.581 1.199 1.00 0.00 H new ATOM 692 N GLU A 49 -3.599 5.113 5.619 1.00 0.00 N ATOM 693 CA GLU A 49 -3.900 3.785 6.141 1.00 0.00 C ATOM 694 C GLU A 49 -5.292 3.332 5.707 1.00 0.00 C ATOM 695 O GLU A 49 -6.257 4.089 5.794 1.00 0.00 O ATOM 696 CB GLU A 49 -3.803 3.779 7.668 1.00 0.00 C ATOM 697 CG GLU A 49 -2.418 4.124 8.191 1.00 0.00 C ATOM 698 CD GLU A 49 -2.295 3.926 9.689 1.00 0.00 C ATOM 699 OE1 GLU A 49 -2.995 3.046 10.232 1.00 0.00 O ATOM 700 OE2 GLU A 49 -1.497 4.652 10.319 1.00 0.00 O ATOM 0 H GLU A 49 -3.256 5.773 6.317 1.00 0.00 H new ATOM 0 HA GLU A 49 -3.167 3.088 5.735 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -4.523 4.491 8.072 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -4.087 2.794 8.038 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -1.678 3.505 7.684 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -2.189 5.161 7.945 1.00 0.00 H new ATOM 707 N GLY A 50 -5.385 2.091 5.240 1.00 0.00 N ATOM 708 CA GLY A 50 -6.661 1.558 4.799 1.00 0.00 C ATOM 709 C GLY A 50 -6.692 1.287 3.308 1.00 0.00 C ATOM 710 O GLY A 50 -7.426 0.414 2.844 1.00 0.00 O ATOM 0 H GLY A 50 -4.600 1.445 5.159 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -6.871 0.634 5.338 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -7.453 2.262 5.054 1.00 0.00 H new ATOM 714 N ASP A 51 -5.894 2.037 2.556 1.00 0.00 N ATOM 715 CA ASP A 51 -5.834 1.874 1.108 1.00 0.00 C ATOM 716 C ASP A 51 -5.507 0.431 0.737 1.00 0.00 C ATOM 717 O ASP A 51 -4.655 -0.203 1.360 1.00 0.00 O ATOM 718 CB ASP A 51 -4.788 2.817 0.510 1.00 0.00 C ATOM 719 CG ASP A 51 -5.362 4.179 0.173 1.00 0.00 C ATOM 720 OD1 ASP A 51 -6.034 4.298 -0.873 1.00 0.00 O ATOM 721 OD2 ASP A 51 -5.140 5.126 0.956 1.00 0.00 O ATOM 0 H ASP A 51 -5.280 2.763 2.925 1.00 0.00 H new ATOM 0 HA ASP A 51 -6.813 2.123 0.698 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -3.966 2.937 1.215 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -4.372 2.368 -0.392 1.00 0.00 H new ATOM 726 N ARG A 52 -6.190 -0.082 -0.281 1.00 0.00 N ATOM 727 CA ARG A 52 -5.974 -1.451 -0.734 1.00 0.00 C ATOM 728 C ARG A 52 -5.414 -1.473 -2.153 1.00 0.00 C ATOM 729 O ARG A 52 -6.105 -1.116 -3.108 1.00 0.00 O ATOM 730 CB ARG A 52 -7.282 -2.242 -0.677 1.00 0.00 C ATOM 731 CG ARG A 52 -7.160 -3.660 -1.212 1.00 0.00 C ATOM 732 CD ARG A 52 -8.449 -4.442 -1.015 1.00 0.00 C ATOM 733 NE ARG A 52 -8.862 -4.473 0.385 1.00 0.00 N ATOM 734 CZ ARG A 52 -9.584 -3.517 0.959 1.00 0.00 C ATOM 735 NH1 ARG A 52 -9.970 -2.461 0.257 1.00 0.00 N ATOM 736 NH2 ARG A 52 -9.921 -3.617 2.239 1.00 0.00 N ATOM 0 H ARG A 52 -6.898 0.430 -0.808 1.00 0.00 H new ATOM 0 HA ARG A 52 -5.247 -1.917 -0.069 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -7.629 -2.281 0.356 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -8.043 -1.711 -1.249 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -6.910 -3.630 -2.272 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -6.342 -4.172 -0.706 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -9.240 -3.994 -1.616 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -8.313 -5.462 -1.375 1.00 0.00 H new ATOM 0 HE ARG A 52 -8.581 -5.272 0.953 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -9.713 -2.381 -0.727 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -10.524 -1.729 0.701 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -9.626 -4.428 2.782 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -10.475 -2.883 2.679 1.00 0.00 H new ATOM 750 N ILE A 53 -4.160 -1.893 -2.283 1.00 0.00 N ATOM 751 CA ILE A 53 -3.509 -1.961 -3.585 1.00 0.00 C ATOM 752 C ILE A 53 -4.053 -3.122 -4.411 1.00 0.00 C ATOM 753 O ILE A 53 -4.254 -4.223 -3.896 1.00 0.00 O ATOM 754 CB ILE A 53 -1.983 -2.116 -3.444 1.00 0.00 C ATOM 755 CG1 ILE A 53 -1.413 -0.993 -2.576 1.00 0.00 C ATOM 756 CG2 ILE A 53 -1.323 -2.122 -4.815 1.00 0.00 C ATOM 757 CD1 ILE A 53 -0.173 -1.393 -1.808 1.00 0.00 C ATOM 0 H ILE A 53 -3.575 -2.191 -1.503 1.00 0.00 H new ATOM 0 HA ILE A 53 -3.725 -1.022 -4.096 1.00 0.00 H new ATOM 0 HB ILE A 53 -1.772 -3.068 -2.957 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -1.178 -0.138 -3.210 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -2.177 -0.666 -1.871 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -0.245 -2.232 -4.699 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -1.712 -2.954 -5.402 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.539 -1.184 -5.327 1.00 0.00 H new ATOM 0 HD11 ILE A 53 0.176 -0.548 -1.215 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -0.408 -2.228 -1.148 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.608 -1.692 -2.508 1.00 0.00 H new ATOM 769 N ILE A 54 -4.285 -2.870 -5.695 1.00 0.00 N ATOM 770 CA ILE A 54 -4.802 -3.895 -6.593 1.00 0.00 C ATOM 771 C ILE A 54 -3.760 -4.292 -7.632 1.00 0.00 C ATOM 772 O ILE A 54 -3.522 -5.477 -7.869 1.00 0.00 O ATOM 773 CB ILE A 54 -6.076 -3.420 -7.316 1.00 0.00 C ATOM 774 CG1 ILE A 54 -6.941 -2.580 -6.373 1.00 0.00 C ATOM 775 CG2 ILE A 54 -6.862 -4.611 -7.844 1.00 0.00 C ATOM 776 CD1 ILE A 54 -7.523 -3.371 -5.222 1.00 0.00 C ATOM 0 H ILE A 54 -4.123 -1.965 -6.137 1.00 0.00 H new ATOM 0 HA ILE A 54 -5.045 -4.760 -5.977 1.00 0.00 H new ATOM 0 HB ILE A 54 -5.784 -2.798 -8.162 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -6.341 -1.762 -5.974 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -7.754 -2.131 -6.943 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -7.759 -4.258 -8.352 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -6.245 -5.172 -8.545 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -7.146 -5.257 -7.013 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -8.124 -2.712 -4.595 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -8.150 -4.173 -5.612 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -6.715 -3.798 -4.629 1.00 0.00 H new ATOM 788 N LYS A 55 -3.137 -3.294 -8.249 1.00 0.00 N ATOM 789 CA LYS A 55 -2.117 -3.537 -9.262 1.00 0.00 C ATOM 790 C LYS A 55 -0.897 -2.650 -9.029 1.00 0.00 C ATOM 791 O LYS A 55 -0.931 -1.734 -8.208 1.00 0.00 O ATOM 792 CB LYS A 55 -2.685 -3.283 -10.660 1.00 0.00 C ATOM 793 CG LYS A 55 -3.308 -4.514 -11.295 1.00 0.00 C ATOM 794 CD LYS A 55 -4.249 -4.141 -12.429 1.00 0.00 C ATOM 795 CE LYS A 55 -4.404 -5.282 -13.423 1.00 0.00 C ATOM 796 NZ LYS A 55 -5.051 -4.832 -14.686 1.00 0.00 N ATOM 0 H LYS A 55 -3.321 -2.308 -8.065 1.00 0.00 H new ATOM 0 HA LYS A 55 -1.807 -4.579 -9.187 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -3.436 -2.495 -10.600 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -1.888 -2.915 -11.306 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -2.521 -5.167 -11.674 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -3.854 -5.078 -10.539 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -5.225 -3.877 -12.021 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -3.869 -3.258 -12.943 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -3.424 -5.704 -13.647 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -4.999 -6.077 -12.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -5.139 -5.638 -15.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -5.996 -4.452 -14.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -4.471 -4.091 -15.128 1.00 0.00 H new ATOM 810 N VAL A 56 0.179 -2.928 -9.758 1.00 0.00 N ATOM 811 CA VAL A 56 1.408 -2.154 -9.633 1.00 0.00 C ATOM 812 C VAL A 56 2.086 -1.976 -10.987 1.00 0.00 C ATOM 813 O VAL A 56 2.549 -2.941 -11.592 1.00 0.00 O ATOM 814 CB VAL A 56 2.397 -2.825 -8.660 1.00 0.00 C ATOM 815 CG1 VAL A 56 3.737 -2.106 -8.682 1.00 0.00 C ATOM 816 CG2 VAL A 56 1.821 -2.854 -7.253 1.00 0.00 C ATOM 0 H VAL A 56 0.224 -3.684 -10.442 1.00 0.00 H new ATOM 0 HA VAL A 56 1.128 -1.177 -9.239 1.00 0.00 H new ATOM 0 HB VAL A 56 2.558 -3.853 -8.983 1.00 0.00 H new ATOM 0 HG11 VAL A 56 4.423 -2.593 -7.989 1.00 0.00 H new ATOM 0 HG12 VAL A 56 4.153 -2.142 -9.689 1.00 0.00 H new ATOM 0 HG13 VAL A 56 3.597 -1.067 -8.384 1.00 0.00 H new ATOM 0 HG21 VAL A 56 2.532 -3.331 -6.579 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.630 -1.835 -6.917 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.888 -3.417 -7.253 1.00 0.00 H new ATOM 826 N ASN A 57 2.140 -0.733 -11.456 1.00 0.00 N ATOM 827 CA ASN A 57 2.762 -0.428 -12.739 1.00 0.00 C ATOM 828 C ASN A 57 2.331 -1.431 -13.805 1.00 0.00 C ATOM 829 O ASN A 57 3.088 -1.738 -14.725 1.00 0.00 O ATOM 830 CB ASN A 57 4.286 -0.432 -12.605 1.00 0.00 C ATOM 831 CG ASN A 57 4.836 -1.814 -12.309 1.00 0.00 C ATOM 832 OD1 ASN A 57 4.533 -2.778 -13.011 1.00 0.00 O ATOM 833 ND2 ASN A 57 5.651 -1.915 -11.265 1.00 0.00 N ATOM 0 H ASN A 57 1.761 0.078 -10.967 1.00 0.00 H new ATOM 0 HA ASN A 57 2.434 0.565 -13.046 1.00 0.00 H new ATOM 0 HB2 ASN A 57 4.730 -0.057 -13.527 1.00 0.00 H new ATOM 0 HB3 ASN A 57 4.580 0.251 -11.808 1.00 0.00 H new ATOM 0 HD21 ASN A 57 6.053 -2.819 -11.018 1.00 0.00 H new ATOM 0 HD22 ASN A 57 5.875 -1.088 -10.711 1.00 0.00 H new ATOM 840 N GLY A 58 1.109 -1.937 -13.674 1.00 0.00 N ATOM 841 CA GLY A 58 0.598 -2.900 -14.632 1.00 0.00 C ATOM 842 C GLY A 58 0.653 -4.322 -14.111 1.00 0.00 C ATOM 843 O GLY A 58 -0.228 -5.133 -14.401 1.00 0.00 O ATOM 0 H GLY A 58 0.463 -1.697 -12.922 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -0.433 -2.648 -14.882 1.00 0.00 H new ATOM 0 HA3 GLY A 58 1.175 -2.832 -15.554 1.00 0.00 H new ATOM 847 N THR A 59 1.691 -4.628 -13.339 1.00 0.00 N ATOM 848 CA THR A 59 1.859 -5.963 -12.779 1.00 0.00 C ATOM 849 C THR A 59 0.787 -6.261 -11.737 1.00 0.00 C ATOM 850 O THR A 59 0.638 -5.529 -10.759 1.00 0.00 O ATOM 851 CB THR A 59 3.247 -6.130 -12.132 1.00 0.00 C ATOM 852 OG1 THR A 59 4.272 -5.866 -13.097 1.00 0.00 O ATOM 853 CG2 THR A 59 3.419 -7.534 -11.574 1.00 0.00 C ATOM 0 H THR A 59 2.428 -3.969 -13.087 1.00 0.00 H new ATOM 0 HA THR A 59 1.764 -6.667 -13.606 1.00 0.00 H new ATOM 0 HB THR A 59 3.329 -5.418 -11.311 1.00 0.00 H new ATOM 0 HG1 THR A 59 4.432 -4.901 -13.149 1.00 0.00 H new ATOM 0 HG21 THR A 59 4.407 -7.628 -11.122 1.00 0.00 H new ATOM 0 HG22 THR A 59 2.655 -7.722 -10.819 1.00 0.00 H new ATOM 0 HG23 THR A 59 3.318 -8.261 -12.380 1.00 0.00 H new ATOM 861 N MET A 60 0.043 -7.341 -11.953 1.00 0.00 N ATOM 862 CA MET A 60 -1.015 -7.737 -11.031 1.00 0.00 C ATOM 863 C MET A 60 -0.429 -8.349 -9.762 1.00 0.00 C ATOM 864 O MET A 60 0.476 -9.181 -9.824 1.00 0.00 O ATOM 865 CB MET A 60 -1.961 -8.734 -11.703 1.00 0.00 C ATOM 866 CG MET A 60 -3.278 -8.913 -10.966 1.00 0.00 C ATOM 867 SD MET A 60 -4.613 -9.454 -12.051 1.00 0.00 S ATOM 868 CE MET A 60 -5.969 -8.455 -11.444 1.00 0.00 C ATOM 0 H MET A 60 0.153 -7.957 -12.758 1.00 0.00 H new ATOM 0 HA MET A 60 -1.577 -6.844 -10.757 1.00 0.00 H new ATOM 0 HB2 MET A 60 -2.166 -8.399 -12.720 1.00 0.00 H new ATOM 0 HB3 MET A 60 -1.463 -9.700 -11.780 1.00 0.00 H new ATOM 0 HG2 MET A 60 -3.146 -9.642 -10.167 1.00 0.00 H new ATOM 0 HG3 MET A 60 -3.557 -7.971 -10.495 1.00 0.00 H new ATOM 0 HE1 MET A 60 -6.770 -8.442 -12.183 1.00 0.00 H new ATOM 0 HE2 MET A 60 -6.343 -8.877 -10.511 1.00 0.00 H new ATOM 0 HE3 MET A 60 -5.621 -7.437 -11.268 1.00 0.00 H new ATOM 878 N VAL A 61 -0.952 -7.932 -8.613 1.00 0.00 N ATOM 879 CA VAL A 61 -0.481 -8.441 -7.330 1.00 0.00 C ATOM 880 C VAL A 61 -1.640 -8.958 -6.486 1.00 0.00 C ATOM 881 O VAL A 61 -1.528 -9.078 -5.265 1.00 0.00 O ATOM 882 CB VAL A 61 0.273 -7.355 -6.539 1.00 0.00 C ATOM 883 CG1 VAL A 61 1.356 -6.723 -7.398 1.00 0.00 C ATOM 884 CG2 VAL A 61 -0.697 -6.301 -6.027 1.00 0.00 C ATOM 0 H VAL A 61 -1.701 -7.244 -8.544 1.00 0.00 H new ATOM 0 HA VAL A 61 0.202 -9.263 -7.546 1.00 0.00 H new ATOM 0 HB VAL A 61 0.753 -7.823 -5.680 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.877 -5.958 -6.822 1.00 0.00 H new ATOM 0 HG12 VAL A 61 2.066 -7.489 -7.711 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.903 -6.268 -8.278 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -0.148 -5.541 -5.470 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.207 -5.835 -6.870 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.432 -6.770 -5.373 1.00 0.00 H new ATOM 894 N THR A 62 -2.754 -9.264 -7.143 1.00 0.00 N ATOM 895 CA THR A 62 -3.934 -9.769 -6.454 1.00 0.00 C ATOM 896 C THR A 62 -3.695 -11.172 -5.909 1.00 0.00 C ATOM 897 O THR A 62 -3.404 -12.100 -6.663 1.00 0.00 O ATOM 898 CB THR A 62 -5.161 -9.794 -7.385 1.00 0.00 C ATOM 899 OG1 THR A 62 -4.782 -10.267 -8.682 1.00 0.00 O ATOM 900 CG2 THR A 62 -5.778 -8.408 -7.505 1.00 0.00 C ATOM 0 H THR A 62 -2.863 -9.171 -8.153 1.00 0.00 H new ATOM 0 HA THR A 62 -4.130 -9.089 -5.625 1.00 0.00 H new ATOM 0 HB THR A 62 -5.902 -10.468 -6.955 1.00 0.00 H new ATOM 0 HG1 THR A 62 -4.201 -11.051 -8.588 1.00 0.00 H new ATOM 0 HG21 THR A 62 -6.643 -8.451 -8.167 1.00 0.00 H new ATOM 0 HG22 THR A 62 -6.092 -8.063 -6.520 1.00 0.00 H new ATOM 0 HG23 THR A 62 -5.042 -7.716 -7.914 1.00 0.00 H new ATOM 908 N ASN A 63 -3.821 -11.321 -4.594 1.00 0.00 N ATOM 909 CA ASN A 63 -3.618 -12.613 -3.948 1.00 0.00 C ATOM 910 C ASN A 63 -2.143 -13.002 -3.961 1.00 0.00 C ATOM 911 O ASN A 63 -1.802 -14.181 -4.058 1.00 0.00 O ATOM 912 CB ASN A 63 -4.448 -13.692 -4.648 1.00 0.00 C ATOM 913 CG ASN A 63 -4.602 -14.941 -3.803 1.00 0.00 C ATOM 914 OD1 ASN A 63 -3.708 -15.787 -3.756 1.00 0.00 O ATOM 915 ND2 ASN A 63 -5.740 -15.064 -3.129 1.00 0.00 N ATOM 0 H ASN A 63 -4.063 -10.563 -3.955 1.00 0.00 H new ATOM 0 HA ASN A 63 -3.944 -12.528 -2.911 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -5.434 -13.292 -4.884 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -3.975 -13.953 -5.595 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -5.900 -15.884 -2.543 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -6.454 -14.339 -3.197 1.00 0.00 H new ATOM 922 N SER A 64 -1.272 -12.003 -3.862 1.00 0.00 N ATOM 923 CA SER A 64 0.167 -12.240 -3.866 1.00 0.00 C ATOM 924 C SER A 64 0.782 -11.863 -2.522 1.00 0.00 C ATOM 925 O SER A 64 0.325 -10.935 -1.855 1.00 0.00 O ATOM 926 CB SER A 64 0.834 -11.441 -4.987 1.00 0.00 C ATOM 927 OG SER A 64 1.998 -12.098 -5.458 1.00 0.00 O ATOM 0 H SER A 64 -1.538 -11.022 -3.778 1.00 0.00 H new ATOM 0 HA SER A 64 0.335 -13.303 -4.038 1.00 0.00 H new ATOM 0 HB2 SER A 64 0.131 -11.305 -5.809 1.00 0.00 H new ATOM 0 HB3 SER A 64 1.095 -10.447 -4.624 1.00 0.00 H new ATOM 0 HG SER A 64 2.405 -11.568 -6.175 1.00 0.00 H new ATOM 933 N SER A 65 1.823 -12.591 -2.130 1.00 0.00 N ATOM 934 CA SER A 65 2.500 -12.337 -0.864 1.00 0.00 C ATOM 935 C SER A 65 3.095 -10.932 -0.838 1.00 0.00 C ATOM 936 O SER A 65 3.187 -10.265 -1.869 1.00 0.00 O ATOM 937 CB SER A 65 3.602 -13.373 -0.633 1.00 0.00 C ATOM 938 OG SER A 65 4.624 -13.256 -1.608 1.00 0.00 O ATOM 0 H SER A 65 2.216 -13.361 -2.671 1.00 0.00 H new ATOM 0 HA SER A 65 1.763 -12.416 -0.065 1.00 0.00 H new ATOM 0 HB2 SER A 65 4.027 -13.241 0.362 1.00 0.00 H new ATOM 0 HB3 SER A 65 3.176 -14.376 -0.667 1.00 0.00 H new ATOM 0 HG SER A 65 5.317 -13.928 -1.438 1.00 0.00 H new ATOM 944 N HIS A 66 3.497 -10.488 0.349 1.00 0.00 N ATOM 945 CA HIS A 66 4.083 -9.163 0.511 1.00 0.00 C ATOM 946 C HIS A 66 5.410 -9.061 -0.236 1.00 0.00 C ATOM 947 O HIS A 66 5.536 -8.302 -1.198 1.00 0.00 O ATOM 948 CB HIS A 66 4.294 -8.853 1.993 1.00 0.00 C ATOM 949 CG HIS A 66 4.925 -7.517 2.242 1.00 0.00 C ATOM 950 ND1 HIS A 66 5.860 -7.300 3.232 1.00 0.00 N ATOM 951 CD2 HIS A 66 4.753 -6.327 1.621 1.00 0.00 C ATOM 952 CE1 HIS A 66 6.234 -6.033 3.211 1.00 0.00 C ATOM 953 NE2 HIS A 66 5.577 -5.421 2.242 1.00 0.00 N ATOM 0 H HIS A 66 3.427 -11.027 1.212 1.00 0.00 H new ATOM 0 HA HIS A 66 3.392 -8.433 0.090 1.00 0.00 H new ATOM 0 HB2 HIS A 66 3.332 -8.892 2.504 1.00 0.00 H new ATOM 0 HB3 HIS A 66 4.921 -9.629 2.432 1.00 0.00 H new ATOM 0 HD1 HIS A 66 6.208 -8.007 3.879 1.00 0.00 H new ATOM 0 HD2 HIS A 66 4.091 -6.127 0.791 1.00 0.00 H new ATOM 0 HE1 HIS A 66 6.954 -5.576 3.873 1.00 0.00 H new ATOM 962 N LEU A 67 6.397 -9.829 0.213 1.00 0.00 N ATOM 963 CA LEU A 67 7.715 -9.824 -0.412 1.00 0.00 C ATOM 964 C LEU A 67 7.600 -9.662 -1.924 1.00 0.00 C ATOM 965 O LEU A 67 8.118 -8.704 -2.496 1.00 0.00 O ATOM 966 CB LEU A 67 8.462 -11.117 -0.081 1.00 0.00 C ATOM 967 CG LEU A 67 9.988 -11.024 -0.058 1.00 0.00 C ATOM 968 CD1 LEU A 67 10.468 -10.455 1.268 1.00 0.00 C ATOM 969 CD2 LEU A 67 10.610 -12.390 -0.312 1.00 0.00 C ATOM 0 H LEU A 67 6.309 -10.463 1.007 1.00 0.00 H new ATOM 0 HA LEU A 67 8.275 -8.977 -0.016 1.00 0.00 H new ATOM 0 HB2 LEU A 67 8.125 -11.468 0.894 1.00 0.00 H new ATOM 0 HB3 LEU A 67 8.175 -11.875 -0.810 1.00 0.00 H new ATOM 0 HG LEU A 67 10.304 -10.350 -0.854 1.00 0.00 H new ATOM 0 HD11 LEU A 67 11.556 -10.396 1.266 1.00 0.00 H new ATOM 0 HD12 LEU A 67 10.051 -9.458 1.408 1.00 0.00 H new ATOM 0 HD13 LEU A 67 10.141 -11.103 2.082 1.00 0.00 H new ATOM 0 HD21 LEU A 67 11.696 -12.304 -0.292 1.00 0.00 H new ATOM 0 HD22 LEU A 67 10.287 -13.087 0.461 1.00 0.00 H new ATOM 0 HD23 LEU A 67 10.293 -12.758 -1.288 1.00 0.00 H new ATOM 981 N GLU A 68 6.915 -10.605 -2.565 1.00 0.00 N ATOM 982 CA GLU A 68 6.731 -10.565 -4.011 1.00 0.00 C ATOM 983 C GLU A 68 6.493 -9.135 -4.489 1.00 0.00 C ATOM 984 O GLU A 68 7.131 -8.671 -5.434 1.00 0.00 O ATOM 985 CB GLU A 68 5.556 -11.454 -4.422 1.00 0.00 C ATOM 986 CG GLU A 68 5.896 -12.935 -4.454 1.00 0.00 C ATOM 987 CD GLU A 68 7.181 -13.222 -5.205 1.00 0.00 C ATOM 988 OE1 GLU A 68 7.252 -12.891 -6.407 1.00 0.00 O ATOM 989 OE2 GLU A 68 8.116 -13.778 -4.591 1.00 0.00 O ATOM 0 H GLU A 68 6.479 -11.405 -2.106 1.00 0.00 H new ATOM 0 HA GLU A 68 7.642 -10.940 -4.479 1.00 0.00 H new ATOM 0 HB2 GLU A 68 4.730 -11.294 -3.729 1.00 0.00 H new ATOM 0 HB3 GLU A 68 5.208 -11.148 -5.409 1.00 0.00 H new ATOM 0 HG2 GLU A 68 5.986 -13.306 -3.433 1.00 0.00 H new ATOM 0 HG3 GLU A 68 5.077 -13.482 -4.921 1.00 0.00 H new ATOM 996 N VAL A 69 5.569 -8.443 -3.831 1.00 0.00 N ATOM 997 CA VAL A 69 5.246 -7.067 -4.188 1.00 0.00 C ATOM 998 C VAL A 69 6.364 -6.115 -3.775 1.00 0.00 C ATOM 999 O VAL A 69 6.720 -5.200 -4.517 1.00 0.00 O ATOM 1000 CB VAL A 69 3.930 -6.610 -3.531 1.00 0.00 C ATOM 1001 CG1 VAL A 69 3.530 -5.233 -4.036 1.00 0.00 C ATOM 1002 CG2 VAL A 69 2.826 -7.624 -3.791 1.00 0.00 C ATOM 0 H VAL A 69 5.031 -8.813 -3.048 1.00 0.00 H new ATOM 0 HA VAL A 69 5.131 -7.040 -5.272 1.00 0.00 H new ATOM 0 HB VAL A 69 4.086 -6.543 -2.454 1.00 0.00 H new ATOM 0 HG11 VAL A 69 2.598 -4.928 -3.560 1.00 0.00 H new ATOM 0 HG12 VAL A 69 4.313 -4.515 -3.794 1.00 0.00 H new ATOM 0 HG13 VAL A 69 3.391 -5.268 -5.117 1.00 0.00 H new ATOM 0 HG21 VAL A 69 1.903 -7.286 -3.320 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.670 -7.724 -4.865 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.113 -8.589 -3.375 1.00 0.00 H new ATOM 1012 N VAL A 70 6.914 -6.338 -2.586 1.00 0.00 N ATOM 1013 CA VAL A 70 7.993 -5.501 -2.074 1.00 0.00 C ATOM 1014 C VAL A 70 9.012 -5.190 -3.165 1.00 0.00 C ATOM 1015 O VAL A 70 9.402 -4.038 -3.355 1.00 0.00 O ATOM 1016 CB VAL A 70 8.714 -6.176 -0.892 1.00 0.00 C ATOM 1017 CG1 VAL A 70 9.906 -5.342 -0.447 1.00 0.00 C ATOM 1018 CG2 VAL A 70 7.748 -6.400 0.262 1.00 0.00 C ATOM 0 H VAL A 70 6.630 -7.091 -1.959 1.00 0.00 H new ATOM 0 HA VAL A 70 7.537 -4.572 -1.730 1.00 0.00 H new ATOM 0 HB VAL A 70 9.084 -7.147 -1.220 1.00 0.00 H new ATOM 0 HG11 VAL A 70 10.403 -5.835 0.389 1.00 0.00 H new ATOM 0 HG12 VAL A 70 10.607 -5.238 -1.275 1.00 0.00 H new ATOM 0 HG13 VAL A 70 9.564 -4.355 -0.135 1.00 0.00 H new ATOM 0 HG21 VAL A 70 8.273 -6.878 1.089 1.00 0.00 H new ATOM 0 HG22 VAL A 70 7.347 -5.442 0.592 1.00 0.00 H new ATOM 0 HG23 VAL A 70 6.930 -7.041 -0.067 1.00 0.00 H new ATOM 1028 N LYS A 71 9.439 -6.225 -3.881 1.00 0.00 N ATOM 1029 CA LYS A 71 10.411 -6.064 -4.956 1.00 0.00 C ATOM 1030 C LYS A 71 9.923 -5.048 -5.983 1.00 0.00 C ATOM 1031 O LYS A 71 10.681 -4.182 -6.424 1.00 0.00 O ATOM 1032 CB LYS A 71 10.676 -7.408 -5.638 1.00 0.00 C ATOM 1033 CG LYS A 71 11.745 -8.239 -4.951 1.00 0.00 C ATOM 1034 CD LYS A 71 11.528 -9.726 -5.177 1.00 0.00 C ATOM 1035 CE LYS A 71 12.044 -10.163 -6.539 1.00 0.00 C ATOM 1036 NZ LYS A 71 11.448 -11.458 -6.969 1.00 0.00 N ATOM 0 H LYS A 71 9.127 -7.185 -3.736 1.00 0.00 H new ATOM 0 HA LYS A 71 11.340 -5.696 -4.520 1.00 0.00 H new ATOM 0 HB2 LYS A 71 9.748 -7.979 -5.669 1.00 0.00 H new ATOM 0 HB3 LYS A 71 10.975 -7.229 -6.671 1.00 0.00 H new ATOM 0 HG2 LYS A 71 12.727 -7.953 -5.327 1.00 0.00 H new ATOM 0 HG3 LYS A 71 11.739 -8.028 -3.882 1.00 0.00 H new ATOM 0 HD2 LYS A 71 12.035 -10.292 -4.396 1.00 0.00 H new ATOM 0 HD3 LYS A 71 10.465 -9.956 -5.098 1.00 0.00 H new ATOM 0 HE2 LYS A 71 11.815 -9.395 -7.278 1.00 0.00 H new ATOM 0 HE3 LYS A 71 13.129 -10.257 -6.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 11.825 -11.721 -7.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 11.688 -12.197 -6.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 10.414 -11.362 -7.028 1.00 0.00 H new ATOM 1050 N LEU A 72 8.654 -5.157 -6.360 1.00 0.00 N ATOM 1051 CA LEU A 72 8.064 -4.246 -7.334 1.00 0.00 C ATOM 1052 C LEU A 72 8.159 -2.801 -6.856 1.00 0.00 C ATOM 1053 O LEU A 72 8.563 -1.913 -7.607 1.00 0.00 O ATOM 1054 CB LEU A 72 6.602 -4.616 -7.588 1.00 0.00 C ATOM 1055 CG LEU A 72 6.363 -5.809 -8.515 1.00 0.00 C ATOM 1056 CD1 LEU A 72 4.876 -6.110 -8.625 1.00 0.00 C ATOM 1057 CD2 LEU A 72 6.959 -5.544 -9.890 1.00 0.00 C ATOM 0 H LEU A 72 8.014 -5.868 -6.006 1.00 0.00 H new ATOM 0 HA LEU A 72 8.623 -4.338 -8.265 1.00 0.00 H new ATOM 0 HB2 LEU A 72 6.129 -4.826 -6.629 1.00 0.00 H new ATOM 0 HB3 LEU A 72 6.096 -3.747 -8.009 1.00 0.00 H new ATOM 0 HG LEU A 72 6.859 -6.681 -8.089 1.00 0.00 H new ATOM 0 HD11 LEU A 72 4.725 -6.962 -9.288 1.00 0.00 H new ATOM 0 HD12 LEU A 72 4.478 -6.344 -7.638 1.00 0.00 H new ATOM 0 HD13 LEU A 72 4.357 -5.240 -9.028 1.00 0.00 H new ATOM 0 HD21 LEU A 72 6.779 -6.403 -10.536 1.00 0.00 H new ATOM 0 HD22 LEU A 72 6.493 -4.660 -10.324 1.00 0.00 H new ATOM 0 HD23 LEU A 72 8.032 -5.379 -9.796 1.00 0.00 H new ATOM 1069 N ILE A 73 7.784 -2.573 -5.602 1.00 0.00 N ATOM 1070 CA ILE A 73 7.830 -1.236 -5.022 1.00 0.00 C ATOM 1071 C ILE A 73 9.263 -0.721 -4.941 1.00 0.00 C ATOM 1072 O ILE A 73 9.541 0.431 -5.275 1.00 0.00 O ATOM 1073 CB ILE A 73 7.207 -1.211 -3.614 1.00 0.00 C ATOM 1074 CG1 ILE A 73 5.716 -1.545 -3.687 1.00 0.00 C ATOM 1075 CG2 ILE A 73 7.420 0.149 -2.965 1.00 0.00 C ATOM 1076 CD1 ILE A 73 5.087 -1.799 -2.335 1.00 0.00 C ATOM 0 H ILE A 73 7.445 -3.296 -4.968 1.00 0.00 H new ATOM 0 HA ILE A 73 7.250 -0.587 -5.678 1.00 0.00 H new ATOM 0 HB ILE A 73 7.700 -1.966 -3.001 1.00 0.00 H new ATOM 0 HG12 ILE A 73 5.191 -0.723 -4.174 1.00 0.00 H new ATOM 0 HG13 ILE A 73 5.580 -2.426 -4.314 1.00 0.00 H new ATOM 0 HG21 ILE A 73 6.974 0.151 -1.970 1.00 0.00 H new ATOM 0 HG22 ILE A 73 8.488 0.350 -2.884 1.00 0.00 H new ATOM 0 HG23 ILE A 73 6.950 0.921 -3.575 1.00 0.00 H new ATOM 0 HD11 ILE A 73 4.029 -2.030 -2.463 1.00 0.00 H new ATOM 0 HD12 ILE A 73 5.586 -2.640 -1.854 1.00 0.00 H new ATOM 0 HD13 ILE A 73 5.192 -0.911 -1.712 1.00 0.00 H new ATOM 1088 N LYS A 74 10.171 -1.583 -4.496 1.00 0.00 N ATOM 1089 CA LYS A 74 11.578 -1.218 -4.373 1.00 0.00 C ATOM 1090 C LYS A 74 12.287 -1.323 -5.720 1.00 0.00 C ATOM 1091 O LYS A 74 13.097 -2.224 -5.937 1.00 0.00 O ATOM 1092 CB LYS A 74 12.272 -2.117 -3.348 1.00 0.00 C ATOM 1093 CG LYS A 74 11.839 -1.854 -1.916 1.00 0.00 C ATOM 1094 CD LYS A 74 12.693 -2.625 -0.924 1.00 0.00 C ATOM 1095 CE LYS A 74 14.058 -1.979 -0.743 1.00 0.00 C ATOM 1096 NZ LYS A 74 14.035 -0.920 0.303 1.00 0.00 N ATOM 0 H LYS A 74 9.958 -2.540 -4.214 1.00 0.00 H new ATOM 0 HA LYS A 74 11.631 -0.183 -4.034 1.00 0.00 H new ATOM 0 HB2 LYS A 74 12.069 -3.159 -3.595 1.00 0.00 H new ATOM 0 HB3 LYS A 74 13.350 -1.976 -3.424 1.00 0.00 H new ATOM 0 HG2 LYS A 74 11.908 -0.787 -1.704 1.00 0.00 H new ATOM 0 HG3 LYS A 74 10.793 -2.136 -1.794 1.00 0.00 H new ATOM 0 HD2 LYS A 74 12.182 -2.673 0.037 1.00 0.00 H new ATOM 0 HD3 LYS A 74 12.818 -3.651 -1.270 1.00 0.00 H new ATOM 0 HE2 LYS A 74 14.788 -2.742 -0.472 1.00 0.00 H new ATOM 0 HE3 LYS A 74 14.384 -1.548 -1.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 14.984 -0.504 0.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 13.357 -0.179 0.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 13.748 -1.336 1.212 1.00 0.00 H new ATOM 1110 N SER A 75 11.978 -0.396 -6.620 1.00 0.00 N ATOM 1111 CA SER A 75 12.584 -0.386 -7.947 1.00 0.00 C ATOM 1112 C SER A 75 12.453 0.990 -8.593 1.00 0.00 C ATOM 1113 O SER A 75 11.585 1.780 -8.227 1.00 0.00 O ATOM 1114 CB SER A 75 11.931 -1.445 -8.837 1.00 0.00 C ATOM 1115 OG SER A 75 12.649 -1.606 -10.048 1.00 0.00 O ATOM 0 H SER A 75 11.312 0.358 -6.455 1.00 0.00 H new ATOM 0 HA SER A 75 13.644 -0.617 -7.838 1.00 0.00 H new ATOM 0 HB2 SER A 75 11.890 -2.396 -8.306 1.00 0.00 H new ATOM 0 HB3 SER A 75 10.903 -1.157 -9.056 1.00 0.00 H new ATOM 0 HG SER A 75 12.213 -2.289 -10.599 1.00 0.00 H new ATOM 1121 N GLY A 76 13.324 1.268 -9.559 1.00 0.00 N ATOM 1122 CA GLY A 76 13.290 2.548 -10.242 1.00 0.00 C ATOM 1123 C GLY A 76 13.260 3.718 -9.280 1.00 0.00 C ATOM 1124 O GLY A 76 13.770 3.626 -8.164 1.00 0.00 O ATOM 0 H GLY A 76 14.052 0.630 -9.880 1.00 0.00 H new ATOM 0 HA2 GLY A 76 14.164 2.635 -10.888 1.00 0.00 H new ATOM 0 HA3 GLY A 76 12.412 2.589 -10.887 1.00 0.00 H new ATOM 1128 N ALA A 77 12.663 4.824 -9.713 1.00 0.00 N ATOM 1129 CA ALA A 77 12.569 6.017 -8.881 1.00 0.00 C ATOM 1130 C ALA A 77 11.189 6.133 -8.242 1.00 0.00 C ATOM 1131 O ALA A 77 11.050 6.645 -7.131 1.00 0.00 O ATOM 1132 CB ALA A 77 12.878 7.259 -9.704 1.00 0.00 C ATOM 0 H ALA A 77 12.237 4.918 -10.635 1.00 0.00 H new ATOM 0 HA ALA A 77 13.305 5.932 -8.081 1.00 0.00 H new ATOM 0 HB1 ALA A 77 12.804 8.143 -9.070 1.00 0.00 H new ATOM 0 HB2 ALA A 77 13.888 7.186 -10.108 1.00 0.00 H new ATOM 0 HB3 ALA A 77 12.164 7.339 -10.524 1.00 0.00 H new ATOM 1138 N TYR A 78 10.172 5.656 -8.950 1.00 0.00 N ATOM 1139 CA TYR A 78 8.802 5.709 -8.453 1.00 0.00 C ATOM 1140 C TYR A 78 8.066 4.405 -8.744 1.00 0.00 C ATOM 1141 O TYR A 78 8.442 3.653 -9.643 1.00 0.00 O ATOM 1142 CB TYR A 78 8.053 6.883 -9.086 1.00 0.00 C ATOM 1143 CG TYR A 78 8.248 6.990 -10.581 1.00 0.00 C ATOM 1144 CD1 TYR A 78 7.808 5.984 -11.432 1.00 0.00 C ATOM 1145 CD2 TYR A 78 8.872 8.097 -11.144 1.00 0.00 C ATOM 1146 CE1 TYR A 78 7.984 6.076 -12.800 1.00 0.00 C ATOM 1147 CE2 TYR A 78 9.050 8.199 -12.510 1.00 0.00 C ATOM 1148 CZ TYR A 78 8.605 7.186 -13.333 1.00 0.00 C ATOM 1149 OH TYR A 78 8.783 7.283 -14.694 1.00 0.00 O ATOM 0 H TYR A 78 10.270 5.228 -9.871 1.00 0.00 H new ATOM 0 HA TYR A 78 8.839 5.850 -7.373 1.00 0.00 H new ATOM 0 HB2 TYR A 78 6.989 6.781 -8.873 1.00 0.00 H new ATOM 0 HB3 TYR A 78 8.385 7.810 -8.618 1.00 0.00 H new ATOM 0 HD1 TYR A 78 7.320 5.114 -11.017 1.00 0.00 H new ATOM 0 HD2 TYR A 78 9.224 8.891 -10.502 1.00 0.00 H new ATOM 0 HE1 TYR A 78 7.637 5.284 -13.447 1.00 0.00 H new ATOM 0 HE2 TYR A 78 9.535 9.067 -12.931 1.00 0.00 H new ATOM 0 HH TYR A 78 9.235 8.126 -14.905 1.00 0.00 H new ATOM 1159 N VAL A 79 7.013 4.144 -7.976 1.00 0.00 N ATOM 1160 CA VAL A 79 6.221 2.933 -8.151 1.00 0.00 C ATOM 1161 C VAL A 79 4.731 3.252 -8.201 1.00 0.00 C ATOM 1162 O VAL A 79 4.189 3.877 -7.290 1.00 0.00 O ATOM 1163 CB VAL A 79 6.480 1.924 -7.017 1.00 0.00 C ATOM 1164 CG1 VAL A 79 6.322 2.593 -5.660 1.00 0.00 C ATOM 1165 CG2 VAL A 79 5.547 0.729 -7.143 1.00 0.00 C ATOM 0 H VAL A 79 6.689 4.755 -7.227 1.00 0.00 H new ATOM 0 HA VAL A 79 6.527 2.490 -9.099 1.00 0.00 H new ATOM 0 HB VAL A 79 7.506 1.565 -7.101 1.00 0.00 H new ATOM 0 HG11 VAL A 79 6.509 1.864 -4.871 1.00 0.00 H new ATOM 0 HG12 VAL A 79 7.035 3.413 -5.573 1.00 0.00 H new ATOM 0 HG13 VAL A 79 5.309 2.982 -5.562 1.00 0.00 H new ATOM 0 HG21 VAL A 79 5.744 0.026 -6.333 1.00 0.00 H new ATOM 0 HG22 VAL A 79 4.512 1.067 -7.086 1.00 0.00 H new ATOM 0 HG23 VAL A 79 5.715 0.236 -8.100 1.00 0.00 H new ATOM 1175 N ALA A 80 4.074 2.818 -9.272 1.00 0.00 N ATOM 1176 CA ALA A 80 2.645 3.056 -9.439 1.00 0.00 C ATOM 1177 C ALA A 80 1.824 2.067 -8.619 1.00 0.00 C ATOM 1178 O ALA A 80 2.094 0.865 -8.625 1.00 0.00 O ATOM 1179 CB ALA A 80 2.265 2.969 -10.910 1.00 0.00 C ATOM 0 H ALA A 80 4.508 2.300 -10.036 1.00 0.00 H new ATOM 0 HA ALA A 80 2.424 4.060 -9.076 1.00 0.00 H new ATOM 0 HB1 ALA A 80 1.196 3.149 -11.021 1.00 0.00 H new ATOM 0 HB2 ALA A 80 2.819 3.719 -11.474 1.00 0.00 H new ATOM 0 HB3 ALA A 80 2.508 1.977 -11.290 1.00 0.00 H new ATOM 1185 N LEU A 81 0.822 2.579 -7.914 1.00 0.00 N ATOM 1186 CA LEU A 81 -0.039 1.740 -7.087 1.00 0.00 C ATOM 1187 C LEU A 81 -1.510 2.006 -7.389 1.00 0.00 C ATOM 1188 O LEU A 81 -2.024 3.093 -7.123 1.00 0.00 O ATOM 1189 CB LEU A 81 0.243 1.991 -5.605 1.00 0.00 C ATOM 1190 CG LEU A 81 1.682 1.754 -5.145 1.00 0.00 C ATOM 1191 CD1 LEU A 81 1.898 2.325 -3.752 1.00 0.00 C ATOM 1192 CD2 LEU A 81 2.012 0.269 -5.172 1.00 0.00 C ATOM 0 H LEU A 81 0.585 3.571 -7.898 1.00 0.00 H new ATOM 0 HA LEU A 81 0.178 0.698 -7.320 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -0.026 3.022 -5.374 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -0.415 1.351 -5.017 1.00 0.00 H new ATOM 0 HG LEU A 81 2.353 2.268 -5.834 1.00 0.00 H new ATOM 0 HD11 LEU A 81 2.928 2.147 -3.441 1.00 0.00 H new ATOM 0 HD12 LEU A 81 1.703 3.397 -3.764 1.00 0.00 H new ATOM 0 HD13 LEU A 81 1.219 1.840 -3.051 1.00 0.00 H new ATOM 0 HD21 LEU A 81 3.040 0.119 -4.842 1.00 0.00 H new ATOM 0 HD22 LEU A 81 1.335 -0.266 -4.506 1.00 0.00 H new ATOM 0 HD23 LEU A 81 1.898 -0.111 -6.187 1.00 0.00 H new ATOM 1204 N THR A 82 -2.185 1.005 -7.945 1.00 0.00 N ATOM 1205 CA THR A 82 -3.598 1.129 -8.282 1.00 0.00 C ATOM 1206 C THR A 82 -4.481 0.729 -7.106 1.00 0.00 C ATOM 1207 O THR A 82 -4.740 -0.455 -6.885 1.00 0.00 O ATOM 1208 CB THR A 82 -3.963 0.262 -9.502 1.00 0.00 C ATOM 1209 OG1 THR A 82 -3.079 0.551 -10.590 1.00 0.00 O ATOM 1210 CG2 THR A 82 -5.401 0.510 -9.931 1.00 0.00 C ATOM 0 H THR A 82 -1.776 0.099 -8.172 1.00 0.00 H new ATOM 0 HA THR A 82 -3.774 2.177 -8.525 1.00 0.00 H new ATOM 0 HB THR A 82 -3.860 -0.786 -9.219 1.00 0.00 H new ATOM 0 HG1 THR A 82 -3.316 -0.005 -11.361 1.00 0.00 H new ATOM 0 HG21 THR A 82 -5.636 -0.113 -10.794 1.00 0.00 H new ATOM 0 HG22 THR A 82 -6.074 0.261 -9.110 1.00 0.00 H new ATOM 0 HG23 THR A 82 -5.525 1.560 -10.197 1.00 0.00 H new ATOM 1218 N LEU A 83 -4.943 1.722 -6.354 1.00 0.00 N ATOM 1219 CA LEU A 83 -5.799 1.473 -5.199 1.00 0.00 C ATOM 1220 C LEU A 83 -7.270 1.479 -5.601 1.00 0.00 C ATOM 1221 O LEU A 83 -7.627 1.939 -6.687 1.00 0.00 O ATOM 1222 CB LEU A 83 -5.550 2.526 -4.118 1.00 0.00 C ATOM 1223 CG LEU A 83 -4.088 2.903 -3.873 1.00 0.00 C ATOM 1224 CD1 LEU A 83 -3.994 4.068 -2.899 1.00 0.00 C ATOM 1225 CD2 LEU A 83 -3.309 1.705 -3.351 1.00 0.00 C ATOM 0 H LEU A 83 -4.739 2.707 -6.523 1.00 0.00 H new ATOM 0 HA LEU A 83 -5.554 0.488 -4.801 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -6.097 3.430 -4.386 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -5.973 2.163 -3.181 1.00 0.00 H new ATOM 0 HG LEU A 83 -3.648 3.212 -4.821 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -2.947 4.323 -2.736 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -4.517 4.930 -3.312 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -4.451 3.787 -1.950 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -2.271 1.991 -3.182 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -3.749 1.366 -2.413 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -3.348 0.898 -4.083 1.00 0.00 H new ATOM 1237 N LEU A 84 -8.121 0.967 -4.718 1.00 0.00 N ATOM 1238 CA LEU A 84 -9.555 0.915 -4.980 1.00 0.00 C ATOM 1239 C LEU A 84 -10.337 1.604 -3.866 1.00 0.00 C ATOM 1240 O LEU A 84 -10.020 1.455 -2.687 1.00 0.00 O ATOM 1241 CB LEU A 84 -10.016 -0.537 -5.119 1.00 0.00 C ATOM 1242 CG LEU A 84 -11.222 -0.774 -6.029 1.00 0.00 C ATOM 1243 CD1 LEU A 84 -11.544 -2.258 -6.112 1.00 0.00 C ATOM 1244 CD2 LEU A 84 -12.428 0.008 -5.531 1.00 0.00 C ATOM 0 H LEU A 84 -7.843 0.582 -3.815 1.00 0.00 H new ATOM 0 HA LEU A 84 -9.748 1.442 -5.914 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -9.181 -1.128 -5.495 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -10.255 -0.918 -4.126 1.00 0.00 H new ATOM 0 HG LEU A 84 -10.973 -0.420 -7.030 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -12.405 -2.408 -6.764 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -10.685 -2.795 -6.516 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -11.773 -2.637 -5.116 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -13.277 -0.173 -6.191 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -12.679 -0.315 -4.520 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -12.194 1.073 -5.524 1.00 0.00 H new