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 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 62 THR OG1 : rot 45:sc= 0.073 USER MOD Set 1.3: A 63 ASN : amide:sc=0.000973 X(o=0.074,f=-0.19) USER MOD Set 2.1: A 57 ASN : amide:sc= -9.65! C(o=-8.9!,f=-7.2!) USER MOD Set 2.2: A 59 THR OG1 : rot 82:sc= 0.748 USER MOD Single : A 9 GLN : amide:sc= -1.24 X(o=-1.2,f=-1.5) USER MOD Single : A 11 CYS SG : rot 25:sc= 0.431 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= -0.604 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= -0.28 X(o=-0.28,f=-0.39) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 43 MET CE :methyl 155:sc= -0.145 (180deg=-0.678) 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+ -125:sc= -0.648 (180deg=-2.5!) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= -0.0206 USER MOD Single : A 66 HIS : no HD1:sc= -0.139 X(o=-0.14,f=-0.098) 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 -14.858 2.841 -7.375 1.00 0.00 N ATOM 67 CA VAL A 8 -13.857 3.215 -8.367 1.00 0.00 C ATOM 68 C VAL A 8 -12.483 3.381 -7.727 1.00 0.00 C ATOM 69 O VAL A 8 -12.320 4.142 -6.774 1.00 0.00 O ATOM 70 CB VAL A 8 -14.239 4.524 -9.083 1.00 0.00 C ATOM 71 CG1 VAL A 8 -14.210 5.693 -8.111 1.00 0.00 C ATOM 72 CG2 VAL A 8 -13.311 4.777 -10.262 1.00 0.00 C ATOM 0 HA VAL A 8 -13.819 2.407 -9.098 1.00 0.00 H new ATOM 0 HB VAL A 8 -15.255 4.425 -9.465 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -14.483 6.609 -8.635 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -14.919 5.512 -7.303 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -13.207 5.797 -7.697 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -13.596 5.706 -10.756 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -12.284 4.855 -9.906 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -13.388 3.951 -10.969 1.00 0.00 H new ATOM 82 N GLN A 9 -11.499 2.663 -8.258 1.00 0.00 N ATOM 83 CA GLN A 9 -10.138 2.731 -7.738 1.00 0.00 C ATOM 84 C GLN A 9 -9.377 3.900 -8.356 1.00 0.00 C ATOM 85 O GLN A 9 -9.743 4.399 -9.420 1.00 0.00 O ATOM 86 CB GLN A 9 -9.398 1.422 -8.014 1.00 0.00 C ATOM 87 CG GLN A 9 -8.997 1.245 -9.470 1.00 0.00 C ATOM 88 CD GLN A 9 -10.154 0.809 -10.346 1.00 0.00 C ATOM 89 OE1 GLN A 9 -10.720 1.609 -11.091 1.00 0.00 O ATOM 90 NE2 GLN A 9 -10.514 -0.467 -10.260 1.00 0.00 N ATOM 0 H GLN A 9 -11.618 2.028 -9.047 1.00 0.00 H new ATOM 0 HA GLN A 9 -10.195 2.887 -6.661 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -8.504 1.382 -7.392 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -10.031 0.586 -7.716 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -8.594 2.184 -9.848 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -8.198 0.506 -9.535 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -10.017 -1.096 -9.629 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -11.287 -0.818 -10.825 1.00 0.00 H new ATOM 99 N ARG A 10 -8.316 4.331 -7.681 1.00 0.00 N ATOM 100 CA ARG A 10 -7.504 5.442 -8.163 1.00 0.00 C ATOM 101 C ARG A 10 -6.032 5.049 -8.233 1.00 0.00 C ATOM 102 O ARG A 10 -5.542 4.288 -7.398 1.00 0.00 O ATOM 103 CB ARG A 10 -7.675 6.659 -7.252 1.00 0.00 C ATOM 104 CG ARG A 10 -6.773 7.826 -7.619 1.00 0.00 C ATOM 105 CD ARG A 10 -7.234 8.506 -8.899 1.00 0.00 C ATOM 106 NE ARG A 10 -6.734 9.874 -9.003 1.00 0.00 N ATOM 107 CZ ARG A 10 -7.187 10.756 -9.887 1.00 0.00 C ATOM 108 NH1 ARG A 10 -8.144 10.416 -10.738 1.00 0.00 N ATOM 109 NH2 ARG A 10 -6.682 11.983 -9.920 1.00 0.00 N ATOM 0 H ARG A 10 -7.999 3.928 -6.799 1.00 0.00 H new ATOM 0 HA ARG A 10 -7.842 5.698 -9.167 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -8.714 6.988 -7.290 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -7.472 6.363 -6.223 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -6.763 8.550 -6.804 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -5.750 7.471 -7.742 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -6.893 7.929 -9.759 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -8.323 8.515 -8.933 1.00 0.00 H new ATOM 0 HE ARG A 10 -5.997 10.168 -8.362 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -8.535 9.474 -10.716 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -8.489 11.096 -11.415 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -5.946 12.249 -9.266 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -7.030 12.660 -10.599 1.00 0.00 H new ATOM 123 N CYS A 11 -5.333 5.571 -9.235 1.00 0.00 N ATOM 124 CA CYS A 11 -3.916 5.274 -9.415 1.00 0.00 C ATOM 125 C CYS A 11 -3.048 6.367 -8.801 1.00 0.00 C ATOM 126 O CYS A 11 -3.248 7.553 -9.063 1.00 0.00 O ATOM 127 CB CYS A 11 -3.591 5.122 -10.902 1.00 0.00 C ATOM 128 SG CYS A 11 -3.720 6.658 -11.846 1.00 0.00 S ATOM 0 H CYS A 11 -5.724 6.202 -9.935 1.00 0.00 H new ATOM 0 HA CYS A 11 -3.699 4.335 -8.905 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -2.579 4.730 -11.004 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -4.265 4.383 -11.337 1.00 0.00 H new ATOM 0 HG CYS A 11 -3.553 7.672 -11.050 1.00 0.00 H new ATOM 134 N VAL A 12 -2.085 5.960 -7.981 1.00 0.00 N ATOM 135 CA VAL A 12 -1.186 6.905 -7.329 1.00 0.00 C ATOM 136 C VAL A 12 0.268 6.472 -7.475 1.00 0.00 C ATOM 137 O VAL A 12 0.592 5.293 -7.334 1.00 0.00 O ATOM 138 CB VAL A 12 -1.518 7.053 -5.832 1.00 0.00 C ATOM 139 CG1 VAL A 12 -1.285 5.740 -5.101 1.00 0.00 C ATOM 140 CG2 VAL A 12 -0.693 8.171 -5.212 1.00 0.00 C ATOM 0 H VAL A 12 -1.907 4.982 -7.752 1.00 0.00 H new ATOM 0 HA VAL A 12 -1.326 7.867 -7.822 1.00 0.00 H new ATOM 0 HB VAL A 12 -2.572 7.313 -5.735 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.525 5.864 -4.045 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.923 4.967 -5.530 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -0.240 5.447 -5.204 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.940 8.262 -4.154 1.00 0.00 H new ATOM 0 HG22 VAL A 12 0.367 7.943 -5.319 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -0.915 9.110 -5.718 1.00 0.00 H new ATOM 150 N ILE A 13 1.140 7.434 -7.759 1.00 0.00 N ATOM 151 CA ILE A 13 2.561 7.151 -7.924 1.00 0.00 C ATOM 152 C ILE A 13 3.385 7.821 -6.829 1.00 0.00 C ATOM 153 O ILE A 13 3.373 9.045 -6.691 1.00 0.00 O ATOM 154 CB ILE A 13 3.073 7.622 -9.297 1.00 0.00 C ATOM 155 CG1 ILE A 13 2.444 6.787 -10.415 1.00 0.00 C ATOM 156 CG2 ILE A 13 4.591 7.536 -9.355 1.00 0.00 C ATOM 157 CD1 ILE A 13 2.575 7.414 -11.785 1.00 0.00 C ATOM 0 H ILE A 13 0.888 8.415 -7.880 1.00 0.00 H new ATOM 0 HA ILE A 13 2.678 6.070 -7.854 1.00 0.00 H new ATOM 0 HB ILE A 13 2.782 8.663 -9.439 1.00 0.00 H new ATOM 0 HG12 ILE A 13 2.912 5.802 -10.429 1.00 0.00 H new ATOM 0 HG13 ILE A 13 1.388 6.635 -10.193 1.00 0.00 H new ATOM 0 HG21 ILE A 13 4.937 7.872 -10.332 1.00 0.00 H new ATOM 0 HG22 ILE A 13 5.021 8.170 -8.580 1.00 0.00 H new ATOM 0 HG23 ILE A 13 4.903 6.504 -9.195 1.00 0.00 H new ATOM 0 HD11 ILE A 13 2.107 6.767 -12.527 1.00 0.00 H new ATOM 0 HD12 ILE A 13 2.083 8.386 -11.789 1.00 0.00 H new ATOM 0 HD13 ILE A 13 3.630 7.541 -12.028 1.00 0.00 H new ATOM 169 N ILE A 14 4.100 7.012 -6.055 1.00 0.00 N ATOM 170 CA ILE A 14 4.932 7.527 -4.975 1.00 0.00 C ATOM 171 C ILE A 14 6.406 7.518 -5.364 1.00 0.00 C ATOM 172 O ILE A 14 7.022 6.458 -5.473 1.00 0.00 O ATOM 173 CB ILE A 14 4.748 6.709 -3.683 1.00 0.00 C ATOM 174 CG1 ILE A 14 3.271 6.665 -3.287 1.00 0.00 C ATOM 175 CG2 ILE A 14 5.587 7.298 -2.559 1.00 0.00 C ATOM 176 CD1 ILE A 14 2.924 5.509 -2.375 1.00 0.00 C ATOM 0 H ILE A 14 4.120 5.997 -6.156 1.00 0.00 H new ATOM 0 HA ILE A 14 4.613 8.553 -4.794 1.00 0.00 H new ATOM 0 HB ILE A 14 5.086 5.689 -3.865 1.00 0.00 H new ATOM 0 HG12 ILE A 14 3.008 7.600 -2.792 1.00 0.00 H new ATOM 0 HG13 ILE A 14 2.663 6.600 -4.189 1.00 0.00 H new ATOM 0 HG21 ILE A 14 5.446 6.709 -1.653 1.00 0.00 H new ATOM 0 HG22 ILE A 14 6.639 7.281 -2.843 1.00 0.00 H new ATOM 0 HG23 ILE A 14 5.278 8.327 -2.375 1.00 0.00 H new ATOM 0 HD11 ILE A 14 1.861 5.541 -2.135 1.00 0.00 H new ATOM 0 HD12 ILE A 14 3.155 4.569 -2.875 1.00 0.00 H new ATOM 0 HD13 ILE A 14 3.505 5.583 -1.456 1.00 0.00 H new ATOM 188 N GLN A 15 6.966 8.705 -5.571 1.00 0.00 N ATOM 189 CA GLN A 15 8.369 8.833 -5.947 1.00 0.00 C ATOM 190 C GLN A 15 9.229 9.168 -4.733 1.00 0.00 C ATOM 191 O GLN A 15 9.058 10.214 -4.106 1.00 0.00 O ATOM 192 CB GLN A 15 8.535 9.912 -7.018 1.00 0.00 C ATOM 193 CG GLN A 15 8.420 11.329 -6.478 1.00 0.00 C ATOM 194 CD GLN A 15 8.258 12.361 -7.576 1.00 0.00 C ATOM 195 OE1 GLN A 15 7.199 12.464 -8.195 1.00 0.00 O ATOM 196 NE2 GLN A 15 9.310 13.133 -7.823 1.00 0.00 N ATOM 0 H GLN A 15 6.470 9.592 -5.485 1.00 0.00 H new ATOM 0 HA GLN A 15 8.700 7.876 -6.351 1.00 0.00 H new ATOM 0 HB2 GLN A 15 9.508 9.792 -7.495 1.00 0.00 H new ATOM 0 HB3 GLN A 15 7.780 9.764 -7.791 1.00 0.00 H new ATOM 0 HG2 GLN A 15 7.568 11.388 -5.801 1.00 0.00 H new ATOM 0 HG3 GLN A 15 9.309 11.564 -5.892 1.00 0.00 H new ATOM 0 HE21 GLN A 15 10.168 13.013 -7.285 1.00 0.00 H new ATOM 0 HE22 GLN A 15 9.260 13.846 -8.551 1.00 0.00 H new ATOM 205 N LYS A 16 10.155 8.273 -4.406 1.00 0.00 N ATOM 206 CA LYS A 16 11.044 8.472 -3.267 1.00 0.00 C ATOM 207 C LYS A 16 11.535 9.915 -3.206 1.00 0.00 C ATOM 208 O LYS A 16 11.835 10.522 -4.234 1.00 0.00 O ATOM 209 CB LYS A 16 12.239 7.519 -3.353 1.00 0.00 C ATOM 210 CG LYS A 16 13.073 7.702 -4.610 1.00 0.00 C ATOM 211 CD LYS A 16 14.231 6.720 -4.657 1.00 0.00 C ATOM 212 CE LYS A 16 15.302 7.168 -5.641 1.00 0.00 C ATOM 213 NZ LYS A 16 16.475 6.251 -5.639 1.00 0.00 N ATOM 0 H LYS A 16 10.310 7.402 -4.914 1.00 0.00 H new ATOM 0 HA LYS A 16 10.482 8.259 -2.358 1.00 0.00 H new ATOM 0 HB2 LYS A 16 12.875 7.667 -2.480 1.00 0.00 H new ATOM 0 HB3 LYS A 16 11.877 6.491 -3.313 1.00 0.00 H new ATOM 0 HG2 LYS A 16 12.443 7.566 -5.489 1.00 0.00 H new ATOM 0 HG3 LYS A 16 13.457 8.721 -4.648 1.00 0.00 H new ATOM 0 HD2 LYS A 16 14.667 6.622 -3.663 1.00 0.00 H new ATOM 0 HD3 LYS A 16 13.863 5.735 -4.942 1.00 0.00 H new ATOM 0 HE2 LYS A 16 14.878 7.213 -6.644 1.00 0.00 H new ATOM 0 HE3 LYS A 16 15.629 8.177 -5.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 17.182 6.590 -6.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 16.896 6.227 -4.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 16.168 5.294 -5.905 1.00 0.00 H new ATOM 281 N PHE A 21 11.006 5.287 0.275 1.00 0.00 N ATOM 282 CA PHE A 21 9.595 5.578 0.500 1.00 0.00 C ATOM 283 C PHE A 21 9.299 5.715 1.991 1.00 0.00 C ATOM 284 O PHE A 21 10.121 5.357 2.833 1.00 0.00 O ATOM 285 CB PHE A 21 8.722 4.477 -0.106 1.00 0.00 C ATOM 286 CG PHE A 21 9.070 4.152 -1.530 1.00 0.00 C ATOM 287 CD1 PHE A 21 8.932 5.106 -2.526 1.00 0.00 C ATOM 288 CD2 PHE A 21 9.535 2.893 -1.874 1.00 0.00 C ATOM 289 CE1 PHE A 21 9.250 4.810 -3.837 1.00 0.00 C ATOM 290 CE2 PHE A 21 9.855 2.591 -3.185 1.00 0.00 C ATOM 291 CZ PHE A 21 9.713 3.551 -4.167 1.00 0.00 C ATOM 0 HA PHE A 21 9.363 6.525 0.013 1.00 0.00 H new ATOM 0 HB2 PHE A 21 8.818 3.575 0.498 1.00 0.00 H new ATOM 0 HB3 PHE A 21 7.677 4.784 -0.057 1.00 0.00 H new ATOM 0 HD1 PHE A 21 8.572 6.092 -2.274 1.00 0.00 H new ATOM 0 HD2 PHE A 21 9.649 2.139 -1.109 1.00 0.00 H new ATOM 0 HE1 PHE A 21 9.137 5.562 -4.604 1.00 0.00 H new ATOM 0 HE2 PHE A 21 10.216 1.605 -3.440 1.00 0.00 H new ATOM 0 HZ PHE A 21 9.963 3.318 -5.191 1.00 0.00 H new ATOM 301 N GLY A 22 8.118 6.236 2.308 1.00 0.00 N ATOM 302 CA GLY A 22 7.734 6.412 3.696 1.00 0.00 C ATOM 303 C GLY A 22 6.401 5.766 4.016 1.00 0.00 C ATOM 304 O GLY A 22 5.610 6.306 4.790 1.00 0.00 O ATOM 0 H GLY A 22 7.420 6.539 1.628 1.00 0.00 H new ATOM 0 HA2 GLY A 22 8.504 5.986 4.339 1.00 0.00 H new ATOM 0 HA3 GLY A 22 7.682 7.477 3.923 1.00 0.00 H new ATOM 308 N PHE A 23 6.149 4.606 3.417 1.00 0.00 N ATOM 309 CA PHE A 23 4.901 3.886 3.640 1.00 0.00 C ATOM 310 C PHE A 23 5.155 2.389 3.788 1.00 0.00 C ATOM 311 O PHE A 23 5.855 1.782 2.976 1.00 0.00 O ATOM 312 CB PHE A 23 3.929 4.138 2.485 1.00 0.00 C ATOM 313 CG PHE A 23 4.180 3.263 1.290 1.00 0.00 C ATOM 314 CD1 PHE A 23 3.679 1.972 1.242 1.00 0.00 C ATOM 315 CD2 PHE A 23 4.917 3.732 0.214 1.00 0.00 C ATOM 316 CE1 PHE A 23 3.907 1.165 0.143 1.00 0.00 C ATOM 317 CE2 PHE A 23 5.148 2.930 -0.887 1.00 0.00 C ATOM 318 CZ PHE A 23 4.644 1.644 -0.922 1.00 0.00 C ATOM 0 H PHE A 23 6.793 4.145 2.774 1.00 0.00 H new ATOM 0 HA PHE A 23 4.459 4.255 4.566 1.00 0.00 H new ATOM 0 HB2 PHE A 23 2.910 3.976 2.836 1.00 0.00 H new ATOM 0 HB3 PHE A 23 4.000 5.183 2.182 1.00 0.00 H new ATOM 0 HD1 PHE A 23 3.104 1.592 2.073 1.00 0.00 H new ATOM 0 HD2 PHE A 23 5.315 4.736 0.236 1.00 0.00 H new ATOM 0 HE1 PHE A 23 3.509 0.161 0.117 1.00 0.00 H new ATOM 0 HE2 PHE A 23 5.722 3.308 -1.720 1.00 0.00 H new ATOM 0 HZ PHE A 23 4.826 1.015 -1.781 1.00 0.00 H new ATOM 328 N THR A 24 4.583 1.798 4.832 1.00 0.00 N ATOM 329 CA THR A 24 4.748 0.373 5.090 1.00 0.00 C ATOM 330 C THR A 24 3.462 -0.392 4.797 1.00 0.00 C ATOM 331 O THR A 24 2.364 0.093 5.072 1.00 0.00 O ATOM 332 CB THR A 24 5.168 0.110 6.548 1.00 0.00 C ATOM 333 OG1 THR A 24 4.218 0.698 7.445 1.00 0.00 O ATOM 334 CG2 THR A 24 6.552 0.678 6.824 1.00 0.00 C ATOM 0 H THR A 24 4.001 2.285 5.513 1.00 0.00 H new ATOM 0 HA THR A 24 5.536 0.021 4.424 1.00 0.00 H new ATOM 0 HB THR A 24 5.197 -0.968 6.705 1.00 0.00 H new ATOM 0 HG1 THR A 24 4.491 0.525 8.370 1.00 0.00 H new ATOM 0 HG21 THR A 24 6.827 0.480 7.860 1.00 0.00 H new ATOM 0 HG22 THR A 24 7.277 0.208 6.160 1.00 0.00 H new ATOM 0 HG23 THR A 24 6.545 1.754 6.650 1.00 0.00 H new ATOM 342 N VAL A 25 3.605 -1.589 4.239 1.00 0.00 N ATOM 343 CA VAL A 25 2.454 -2.422 3.911 1.00 0.00 C ATOM 344 C VAL A 25 2.571 -3.799 4.554 1.00 0.00 C ATOM 345 O VAL A 25 3.585 -4.123 5.171 1.00 0.00 O ATOM 346 CB VAL A 25 2.299 -2.590 2.388 1.00 0.00 C ATOM 347 CG1 VAL A 25 2.002 -1.251 1.730 1.00 0.00 C ATOM 348 CG2 VAL A 25 3.548 -3.221 1.792 1.00 0.00 C ATOM 0 H VAL A 25 4.507 -2.004 4.004 1.00 0.00 H new ATOM 0 HA VAL A 25 1.573 -1.914 4.305 1.00 0.00 H new ATOM 0 HB VAL A 25 1.457 -3.256 2.197 1.00 0.00 H new ATOM 0 HG11 VAL A 25 1.896 -1.390 0.654 1.00 0.00 H new ATOM 0 HG12 VAL A 25 1.076 -0.843 2.136 1.00 0.00 H new ATOM 0 HG13 VAL A 25 2.821 -0.559 1.927 1.00 0.00 H new ATOM 0 HG21 VAL A 25 3.421 -3.332 0.715 1.00 0.00 H new ATOM 0 HG22 VAL A 25 4.409 -2.583 1.992 1.00 0.00 H new ATOM 0 HG23 VAL A 25 3.711 -4.201 2.241 1.00 0.00 H new ATOM 358 N SER A 26 1.526 -4.607 4.405 1.00 0.00 N ATOM 359 CA SER A 26 1.509 -5.949 4.974 1.00 0.00 C ATOM 360 C SER A 26 0.333 -6.755 4.432 1.00 0.00 C ATOM 361 O SER A 26 -0.678 -6.193 4.011 1.00 0.00 O ATOM 362 CB SER A 26 1.433 -5.878 6.500 1.00 0.00 C ATOM 363 OG SER A 26 2.043 -7.010 7.095 1.00 0.00 O ATOM 0 H SER A 26 0.680 -4.355 3.895 1.00 0.00 H new ATOM 0 HA SER A 26 2.433 -6.450 4.686 1.00 0.00 H new ATOM 0 HB2 SER A 26 1.925 -4.970 6.850 1.00 0.00 H new ATOM 0 HB3 SER A 26 0.391 -5.816 6.813 1.00 0.00 H new ATOM 0 HG SER A 26 1.982 -6.939 8.071 1.00 0.00 H new ATOM 369 N GLY A 27 0.473 -8.077 4.445 1.00 0.00 N ATOM 370 CA GLY A 27 -0.585 -8.940 3.952 1.00 0.00 C ATOM 371 C GLY A 27 -0.098 -9.905 2.889 1.00 0.00 C ATOM 372 O GLY A 27 0.643 -9.521 1.984 1.00 0.00 O ATOM 0 H GLY A 27 1.300 -8.566 4.788 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -1.007 -9.504 4.784 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -1.388 -8.327 3.542 1.00 0.00 H new ATOM 376 N ASP A 28 -0.512 -11.163 3.000 1.00 0.00 N ATOM 377 CA ASP A 28 -0.113 -12.186 2.041 1.00 0.00 C ATOM 378 C ASP A 28 -0.875 -12.028 0.728 1.00 0.00 C ATOM 379 O ASP A 28 -0.303 -11.635 -0.289 1.00 0.00 O ATOM 380 CB ASP A 28 -0.356 -13.581 2.621 1.00 0.00 C ATOM 381 CG ASP A 28 0.591 -14.618 2.049 1.00 0.00 C ATOM 382 OD1 ASP A 28 0.318 -15.124 0.940 1.00 0.00 O ATOM 383 OD2 ASP A 28 1.606 -14.923 2.710 1.00 0.00 O ATOM 0 H ASP A 28 -1.123 -11.498 3.744 1.00 0.00 H new ATOM 0 HA ASP A 28 0.951 -12.064 1.839 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -0.241 -13.546 3.704 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -1.384 -13.881 2.419 1.00 0.00 H new ATOM 388 N ARG A 29 -2.167 -12.338 0.759 1.00 0.00 N ATOM 389 CA ARG A 29 -3.006 -12.233 -0.429 1.00 0.00 C ATOM 390 C ARG A 29 -3.152 -10.777 -0.864 1.00 0.00 C ATOM 391 O ARG A 29 -2.607 -10.369 -1.890 1.00 0.00 O ATOM 392 CB ARG A 29 -4.385 -12.836 -0.160 1.00 0.00 C ATOM 393 CG ARG A 29 -5.050 -13.413 -1.399 1.00 0.00 C ATOM 394 CD ARG A 29 -6.052 -14.499 -1.040 1.00 0.00 C ATOM 395 NE ARG A 29 -6.293 -15.412 -2.154 1.00 0.00 N ATOM 396 CZ ARG A 29 -6.866 -16.602 -2.019 1.00 0.00 C ATOM 397 NH1 ARG A 29 -7.256 -17.021 -0.823 1.00 0.00 N ATOM 398 NH2 ARG A 29 -7.051 -17.376 -3.081 1.00 0.00 N ATOM 0 H ARG A 29 -2.655 -12.664 1.593 1.00 0.00 H new ATOM 0 HA ARG A 29 -2.525 -12.789 -1.234 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -4.289 -13.622 0.589 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -5.031 -12.068 0.265 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -5.555 -12.617 -1.946 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -4.290 -13.823 -2.063 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -5.684 -15.063 -0.183 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -6.993 -14.039 -0.739 1.00 0.00 H new ATOM 0 HE ARG A 29 -6.005 -15.119 -3.088 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -7.116 -16.429 -0.004 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -7.696 -17.936 -0.722 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -6.753 -17.057 -4.003 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -7.491 -18.290 -2.975 1.00 0.00 H new ATOM 412 N ILE A 30 -3.890 -10.002 -0.078 1.00 0.00 N ATOM 413 CA ILE A 30 -4.107 -8.593 -0.382 1.00 0.00 C ATOM 414 C ILE A 30 -3.146 -7.707 0.404 1.00 0.00 C ATOM 415 O ILE A 30 -2.896 -7.940 1.587 1.00 0.00 O ATOM 416 CB ILE A 30 -5.553 -8.165 -0.070 1.00 0.00 C ATOM 417 CG1 ILE A 30 -5.738 -7.974 1.437 1.00 0.00 C ATOM 418 CG2 ILE A 30 -6.537 -9.196 -0.603 1.00 0.00 C ATOM 419 CD1 ILE A 30 -5.620 -9.258 2.228 1.00 0.00 C ATOM 0 H ILE A 30 -4.348 -10.325 0.774 1.00 0.00 H new ATOM 0 HA ILE A 30 -3.923 -8.469 -1.449 1.00 0.00 H new ATOM 0 HB ILE A 30 -5.749 -7.214 -0.565 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -4.994 -7.264 1.799 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -6.717 -7.532 1.621 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -7.555 -8.880 -0.375 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -6.419 -9.288 -1.683 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -6.343 -10.161 -0.134 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -5.762 -9.047 3.288 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -6.381 -9.963 1.893 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -4.632 -9.691 2.074 1.00 0.00 H new ATOM 431 N VAL A 31 -2.612 -6.687 -0.261 1.00 0.00 N ATOM 432 CA VAL A 31 -1.681 -5.763 0.376 1.00 0.00 C ATOM 433 C VAL A 31 -2.367 -4.450 0.732 1.00 0.00 C ATOM 434 O VAL A 31 -3.094 -3.876 -0.080 1.00 0.00 O ATOM 435 CB VAL A 31 -0.473 -5.468 -0.533 1.00 0.00 C ATOM 436 CG1 VAL A 31 0.469 -4.479 0.135 1.00 0.00 C ATOM 437 CG2 VAL A 31 0.256 -6.757 -0.885 1.00 0.00 C ATOM 0 H VAL A 31 -2.808 -6.480 -1.240 1.00 0.00 H new ATOM 0 HA VAL A 31 -1.331 -6.246 1.288 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.837 -5.019 -1.457 1.00 0.00 H new ATOM 0 HG11 VAL A 31 1.316 -4.283 -0.522 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -0.061 -3.547 0.331 1.00 0.00 H new ATOM 0 HG13 VAL A 31 0.828 -4.897 1.075 1.00 0.00 H new ATOM 0 HG21 VAL A 31 1.107 -6.530 -1.528 1.00 0.00 H new ATOM 0 HG22 VAL A 31 0.609 -7.236 0.028 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -0.425 -7.429 -1.408 1.00 0.00 H new ATOM 447 N LEU A 32 -2.132 -3.977 1.951 1.00 0.00 N ATOM 448 CA LEU A 32 -2.727 -2.729 2.417 1.00 0.00 C ATOM 449 C LEU A 32 -1.666 -1.806 3.007 1.00 0.00 C ATOM 450 O LEU A 32 -0.610 -2.259 3.447 1.00 0.00 O ATOM 451 CB LEU A 32 -3.808 -3.015 3.460 1.00 0.00 C ATOM 452 CG LEU A 32 -4.659 -4.263 3.222 1.00 0.00 C ATOM 453 CD1 LEU A 32 -5.152 -4.834 4.542 1.00 0.00 C ATOM 454 CD2 LEU A 32 -5.831 -3.943 2.306 1.00 0.00 C ATOM 0 H LEU A 32 -1.533 -4.439 2.635 1.00 0.00 H new ATOM 0 HA LEU A 32 -3.180 -2.230 1.561 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -3.329 -3.107 4.435 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.472 -2.152 3.512 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.038 -5.015 2.735 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.756 -5.721 4.352 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.298 -5.102 5.164 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.756 -4.088 5.058 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -6.425 -4.843 2.148 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -6.452 -3.174 2.765 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.456 -3.583 1.348 1.00 0.00 H new ATOM 466 N VAL A 33 -1.955 -0.509 3.014 1.00 0.00 N ATOM 467 CA VAL A 33 -1.027 0.478 3.553 1.00 0.00 C ATOM 468 C VAL A 33 -1.080 0.508 5.076 1.00 0.00 C ATOM 469 O VAL A 33 -2.022 1.039 5.663 1.00 0.00 O ATOM 470 CB VAL A 33 -1.331 1.888 3.012 1.00 0.00 C ATOM 471 CG1 VAL A 33 -0.336 2.898 3.564 1.00 0.00 C ATOM 472 CG2 VAL A 33 -1.316 1.890 1.491 1.00 0.00 C ATOM 0 H VAL A 33 -2.825 -0.117 2.652 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.028 0.181 3.233 1.00 0.00 H new ATOM 0 HB VAL A 33 -2.328 2.178 3.343 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.567 3.888 3.171 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -0.401 2.915 4.652 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.673 2.615 3.265 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.533 2.894 1.126 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.333 1.579 1.136 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.071 1.198 1.119 1.00 0.00 H new ATOM 482 N GLN A 34 -0.062 -0.067 5.709 1.00 0.00 N ATOM 483 CA GLN A 34 0.007 -0.106 7.165 1.00 0.00 C ATOM 484 C GLN A 34 0.049 1.303 7.746 1.00 0.00 C ATOM 485 O GLN A 34 -0.847 1.706 8.487 1.00 0.00 O ATOM 486 CB GLN A 34 1.237 -0.894 7.617 1.00 0.00 C ATOM 487 CG GLN A 34 1.200 -1.292 9.084 1.00 0.00 C ATOM 488 CD GLN A 34 -0.042 -2.083 9.443 1.00 0.00 C ATOM 489 OE1 GLN A 34 -0.464 -2.969 8.700 1.00 0.00 O ATOM 490 NE2 GLN A 34 -0.636 -1.766 10.588 1.00 0.00 N ATOM 0 H GLN A 34 0.725 -0.512 5.237 1.00 0.00 H new ATOM 0 HA GLN A 34 -0.890 -0.604 7.533 1.00 0.00 H new ATOM 0 HB2 GLN A 34 1.326 -1.793 7.007 1.00 0.00 H new ATOM 0 HB3 GLN A 34 2.129 -0.295 7.434 1.00 0.00 H new ATOM 0 HG2 GLN A 34 2.084 -1.885 9.318 1.00 0.00 H new ATOM 0 HG3 GLN A 34 1.246 -0.395 9.701 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -0.252 -1.024 11.174 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -1.476 -2.264 10.882 1.00 0.00 H new ATOM 499 N SER A 35 1.096 2.047 7.406 1.00 0.00 N ATOM 500 CA SER A 35 1.258 3.411 7.897 1.00 0.00 C ATOM 501 C SER A 35 1.773 4.329 6.793 1.00 0.00 C ATOM 502 O SER A 35 2.251 3.866 5.758 1.00 0.00 O ATOM 503 CB SER A 35 2.219 3.436 9.087 1.00 0.00 C ATOM 504 OG SER A 35 1.750 2.609 10.139 1.00 0.00 O ATOM 0 H SER A 35 1.846 1.728 6.792 1.00 0.00 H new ATOM 0 HA SER A 35 0.282 3.773 8.220 1.00 0.00 H new ATOM 0 HB2 SER A 35 3.206 3.100 8.769 1.00 0.00 H new ATOM 0 HB3 SER A 35 2.331 4.459 9.447 1.00 0.00 H new ATOM 0 HG SER A 35 2.382 2.641 10.887 1.00 0.00 H new ATOM 510 N VAL A 36 1.672 5.634 7.023 1.00 0.00 N ATOM 511 CA VAL A 36 2.128 6.619 6.049 1.00 0.00 C ATOM 512 C VAL A 36 2.833 7.784 6.735 1.00 0.00 C ATOM 513 O VAL A 36 2.203 8.582 7.430 1.00 0.00 O ATOM 514 CB VAL A 36 0.957 7.164 5.211 1.00 0.00 C ATOM 515 CG1 VAL A 36 1.475 7.982 4.037 1.00 0.00 C ATOM 516 CG2 VAL A 36 0.073 6.024 4.728 1.00 0.00 C ATOM 0 H VAL A 36 1.279 6.034 7.875 1.00 0.00 H new ATOM 0 HA VAL A 36 2.831 6.110 5.389 1.00 0.00 H new ATOM 0 HB VAL A 36 0.355 7.819 5.841 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.633 8.359 3.456 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.063 8.821 4.409 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.100 7.353 3.403 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -0.750 6.427 4.137 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.661 5.343 4.113 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.327 5.485 5.587 1.00 0.00 H new ATOM 526 N ARG A 37 4.144 7.876 6.535 1.00 0.00 N ATOM 527 CA ARG A 37 4.935 8.944 7.135 1.00 0.00 C ATOM 528 C ARG A 37 4.160 10.259 7.138 1.00 0.00 C ATOM 529 O ARG A 37 3.538 10.643 6.148 1.00 0.00 O ATOM 530 CB ARG A 37 6.253 9.118 6.379 1.00 0.00 C ATOM 531 CG ARG A 37 7.316 9.862 7.170 1.00 0.00 C ATOM 532 CD ARG A 37 7.856 9.014 8.312 1.00 0.00 C ATOM 533 NE ARG A 37 8.740 7.954 7.836 1.00 0.00 N ATOM 534 CZ ARG A 37 9.259 7.020 8.625 1.00 0.00 C ATOM 535 NH1 ARG A 37 8.984 7.016 9.922 1.00 0.00 N ATOM 536 NH2 ARG A 37 10.055 6.088 8.117 1.00 0.00 N ATOM 0 H ARG A 37 4.680 7.224 5.962 1.00 0.00 H new ATOM 0 HA ARG A 37 5.150 8.667 8.167 1.00 0.00 H new ATOM 0 HB2 ARG A 37 6.637 8.135 6.105 1.00 0.00 H new ATOM 0 HB3 ARG A 37 6.061 9.655 5.450 1.00 0.00 H new ATOM 0 HG2 ARG A 37 8.134 10.144 6.507 1.00 0.00 H new ATOM 0 HG3 ARG A 37 6.895 10.785 7.568 1.00 0.00 H new ATOM 0 HD2 ARG A 37 8.398 9.651 9.012 1.00 0.00 H new ATOM 0 HD3 ARG A 37 7.024 8.573 8.861 1.00 0.00 H new ATOM 0 HE ARG A 37 8.972 7.929 6.843 1.00 0.00 H new ATOM 0 HH11 ARG A 37 8.373 7.731 10.316 1.00 0.00 H new ATOM 0 HH12 ARG A 37 9.384 6.298 10.526 1.00 0.00 H new ATOM 0 HH21 ARG A 37 10.269 6.088 7.120 1.00 0.00 H new ATOM 0 HH22 ARG A 37 10.453 5.371 8.724 1.00 0.00 H new ATOM 550 N PRO A 38 4.198 10.965 8.278 1.00 0.00 N ATOM 551 CA PRO A 38 3.505 12.247 8.437 1.00 0.00 C ATOM 552 C PRO A 38 4.145 13.359 7.612 1.00 0.00 C ATOM 553 O PRO A 38 3.638 14.478 7.562 1.00 0.00 O ATOM 554 CB PRO A 38 3.646 12.543 9.932 1.00 0.00 C ATOM 555 CG PRO A 38 4.870 11.805 10.351 1.00 0.00 C ATOM 556 CD PRO A 38 4.920 10.567 9.498 1.00 0.00 C ATOM 0 HA PRO A 38 2.472 12.197 8.093 1.00 0.00 H new ATOM 0 HB2 PRO A 38 3.746 13.613 10.116 1.00 0.00 H new ATOM 0 HB3 PRO A 38 2.771 12.205 10.487 1.00 0.00 H new ATOM 0 HG2 PRO A 38 5.762 12.415 10.206 1.00 0.00 H new ATOM 0 HG3 PRO A 38 4.828 11.548 11.409 1.00 0.00 H new ATOM 0 HD2 PRO A 38 5.946 10.271 9.279 1.00 0.00 H new ATOM 0 HD3 PRO A 38 4.442 9.720 9.990 1.00 0.00 H new ATOM 564 N GLY A 39 5.263 13.041 6.965 1.00 0.00 N ATOM 565 CA GLY A 39 5.954 14.023 6.151 1.00 0.00 C ATOM 566 C GLY A 39 6.952 13.391 5.202 1.00 0.00 C ATOM 567 O GLY A 39 8.080 13.865 5.070 1.00 0.00 O ATOM 0 H GLY A 39 5.702 12.121 6.991 1.00 0.00 H new ATOM 0 HA2 GLY A 39 5.224 14.594 5.578 1.00 0.00 H new ATOM 0 HA3 GLY A 39 6.472 14.729 6.800 1.00 0.00 H new ATOM 571 N GLY A 40 6.537 12.316 4.539 1.00 0.00 N ATOM 572 CA GLY A 40 7.417 11.634 3.607 1.00 0.00 C ATOM 573 C GLY A 40 7.000 11.835 2.164 1.00 0.00 C ATOM 574 O GLY A 40 6.755 12.961 1.732 1.00 0.00 O ATOM 0 H GLY A 40 5.608 11.905 4.630 1.00 0.00 H new ATOM 0 HA2 GLY A 40 8.436 11.997 3.742 1.00 0.00 H new ATOM 0 HA3 GLY A 40 7.426 10.568 3.834 1.00 0.00 H new ATOM 578 N ALA A 41 6.920 10.740 1.414 1.00 0.00 N ATOM 579 CA ALA A 41 6.530 10.801 0.011 1.00 0.00 C ATOM 580 C ALA A 41 5.099 10.310 -0.182 1.00 0.00 C ATOM 581 O ALA A 41 4.253 11.028 -0.714 1.00 0.00 O ATOM 582 CB ALA A 41 7.490 9.984 -0.840 1.00 0.00 C ATOM 0 H ALA A 41 7.120 9.800 1.755 1.00 0.00 H new ATOM 0 HA ALA A 41 6.576 11.842 -0.309 1.00 0.00 H new ATOM 0 HB1 ALA A 41 7.186 10.039 -1.885 1.00 0.00 H new ATOM 0 HB2 ALA A 41 8.499 10.382 -0.734 1.00 0.00 H new ATOM 0 HB3 ALA A 41 7.473 8.945 -0.511 1.00 0.00 H new ATOM 588 N ALA A 42 4.836 9.082 0.252 1.00 0.00 N ATOM 589 CA ALA A 42 3.507 8.496 0.127 1.00 0.00 C ATOM 590 C ALA A 42 2.423 9.520 0.443 1.00 0.00 C ATOM 591 O ALA A 42 1.439 9.641 -0.286 1.00 0.00 O ATOM 592 CB ALA A 42 3.376 7.287 1.041 1.00 0.00 C ATOM 0 H ALA A 42 5.526 8.474 0.693 1.00 0.00 H new ATOM 0 HA ALA A 42 3.375 8.174 -0.906 1.00 0.00 H new ATOM 0 HB1 ALA A 42 2.379 6.859 0.938 1.00 0.00 H new ATOM 0 HB2 ALA A 42 4.121 6.541 0.766 1.00 0.00 H new ATOM 0 HB3 ALA A 42 3.534 7.594 2.075 1.00 0.00 H new ATOM 598 N MET A 43 2.610 10.256 1.534 1.00 0.00 N ATOM 599 CA MET A 43 1.648 11.271 1.946 1.00 0.00 C ATOM 600 C MET A 43 1.531 12.368 0.893 1.00 0.00 C ATOM 601 O MET A 43 0.429 12.747 0.495 1.00 0.00 O ATOM 602 CB MET A 43 2.057 11.878 3.289 1.00 0.00 C ATOM 603 CG MET A 43 0.917 12.574 4.014 1.00 0.00 C ATOM 604 SD MET A 43 -0.276 11.414 4.708 1.00 0.00 S ATOM 605 CE MET A 43 0.261 11.358 6.416 1.00 0.00 C ATOM 0 H MET A 43 3.419 10.168 2.149 1.00 0.00 H new ATOM 0 HA MET A 43 0.675 10.791 2.055 1.00 0.00 H new ATOM 0 HB2 MET A 43 2.456 11.090 3.928 1.00 0.00 H new ATOM 0 HB3 MET A 43 2.863 12.593 3.125 1.00 0.00 H new ATOM 0 HG2 MET A 43 1.324 13.192 4.814 1.00 0.00 H new ATOM 0 HG3 MET A 43 0.406 13.244 3.322 1.00 0.00 H new ATOM 0 HE1 MET A 43 -0.577 11.072 7.052 1.00 0.00 H new ATOM 0 HE2 MET A 43 1.063 10.627 6.522 1.00 0.00 H new ATOM 0 HE3 MET A 43 0.625 12.341 6.715 1.00 0.00 H new ATOM 615 N LYS A 44 2.674 12.875 0.444 1.00 0.00 N ATOM 616 CA LYS A 44 2.701 13.929 -0.563 1.00 0.00 C ATOM 617 C LYS A 44 1.891 13.528 -1.791 1.00 0.00 C ATOM 618 O LYS A 44 1.340 14.380 -2.488 1.00 0.00 O ATOM 619 CB LYS A 44 4.144 14.237 -0.970 1.00 0.00 C ATOM 620 CG LYS A 44 4.945 14.940 0.113 1.00 0.00 C ATOM 621 CD LYS A 44 6.382 15.175 -0.319 1.00 0.00 C ATOM 622 CE LYS A 44 6.466 16.194 -1.445 1.00 0.00 C ATOM 623 NZ LYS A 44 7.870 16.618 -1.705 1.00 0.00 N ATOM 0 H LYS A 44 3.595 12.573 0.762 1.00 0.00 H new ATOM 0 HA LYS A 44 2.253 14.823 -0.129 1.00 0.00 H new ATOM 0 HB2 LYS A 44 4.645 13.306 -1.234 1.00 0.00 H new ATOM 0 HB3 LYS A 44 4.135 14.859 -1.865 1.00 0.00 H new ATOM 0 HG2 LYS A 44 4.476 15.894 0.352 1.00 0.00 H new ATOM 0 HG3 LYS A 44 4.931 14.341 1.023 1.00 0.00 H new ATOM 0 HD2 LYS A 44 6.967 15.523 0.532 1.00 0.00 H new ATOM 0 HD3 LYS A 44 6.824 14.233 -0.645 1.00 0.00 H new ATOM 0 HE2 LYS A 44 6.041 15.767 -2.354 1.00 0.00 H new ATOM 0 HE3 LYS A 44 5.864 17.067 -1.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 7.885 17.313 -2.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 8.267 17.048 -0.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 8.439 15.789 -1.972 1.00 0.00 H new ATOM 637 N ALA A 45 1.821 12.226 -2.049 1.00 0.00 N ATOM 638 CA ALA A 45 1.074 11.713 -3.191 1.00 0.00 C ATOM 639 C ALA A 45 -0.413 11.608 -2.872 1.00 0.00 C ATOM 640 O ALA A 45 -1.252 11.587 -3.773 1.00 0.00 O ATOM 641 CB ALA A 45 1.622 10.358 -3.614 1.00 0.00 C ATOM 0 H ALA A 45 2.272 11.508 -1.483 1.00 0.00 H new ATOM 0 HA ALA A 45 1.193 12.415 -4.017 1.00 0.00 H new ATOM 0 HB1 ALA A 45 1.055 9.987 -4.468 1.00 0.00 H new ATOM 0 HB2 ALA A 45 2.671 10.460 -3.892 1.00 0.00 H new ATOM 0 HB3 ALA A 45 1.533 9.655 -2.786 1.00 0.00 H new ATOM 647 N GLY A 46 -0.734 11.540 -1.584 1.00 0.00 N ATOM 648 CA GLY A 46 -2.121 11.437 -1.169 1.00 0.00 C ATOM 649 C GLY A 46 -2.516 10.017 -0.815 1.00 0.00 C ATOM 650 O GLY A 46 -3.554 9.524 -1.258 1.00 0.00 O ATOM 0 H GLY A 46 -0.058 11.554 -0.820 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -2.288 12.083 -0.307 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -2.765 11.801 -1.970 1.00 0.00 H new ATOM 654 N VAL A 47 -1.686 9.355 -0.014 1.00 0.00 N ATOM 655 CA VAL A 47 -1.954 7.983 0.399 1.00 0.00 C ATOM 656 C VAL A 47 -2.499 7.934 1.822 1.00 0.00 C ATOM 657 O VAL A 47 -2.343 8.882 2.591 1.00 0.00 O ATOM 658 CB VAL A 47 -0.684 7.115 0.316 1.00 0.00 C ATOM 659 CG1 VAL A 47 -0.961 5.713 0.839 1.00 0.00 C ATOM 660 CG2 VAL A 47 -0.164 7.067 -1.112 1.00 0.00 C ATOM 0 H VAL A 47 -0.823 9.747 0.361 1.00 0.00 H new ATOM 0 HA VAL A 47 -2.702 7.586 -0.287 1.00 0.00 H new ATOM 0 HB VAL A 47 0.085 7.566 0.943 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -0.053 5.114 0.773 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -1.283 5.770 1.879 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.746 5.250 0.241 1.00 0.00 H new ATOM 0 HG21 VAL A 47 0.733 6.450 -1.152 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -0.927 6.640 -1.763 1.00 0.00 H new ATOM 0 HG23 VAL A 47 0.075 8.077 -1.446 1.00 0.00 H new ATOM 670 N LYS A 48 -3.138 6.821 2.166 1.00 0.00 N ATOM 671 CA LYS A 48 -3.706 6.646 3.498 1.00 0.00 C ATOM 672 C LYS A 48 -3.646 5.183 3.926 1.00 0.00 C ATOM 673 O LYS A 48 -3.373 4.300 3.113 1.00 0.00 O ATOM 674 CB LYS A 48 -5.154 7.138 3.526 1.00 0.00 C ATOM 675 CG LYS A 48 -5.283 8.651 3.490 1.00 0.00 C ATOM 676 CD LYS A 48 -4.855 9.279 4.805 1.00 0.00 C ATOM 677 CE LYS A 48 -6.020 9.389 5.776 1.00 0.00 C ATOM 678 NZ LYS A 48 -5.559 9.632 7.171 1.00 0.00 N ATOM 0 H LYS A 48 -3.276 6.027 1.541 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.115 7.236 4.199 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.689 6.716 2.675 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -5.639 6.762 4.426 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.673 9.050 2.680 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -6.316 8.924 3.275 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -4.062 8.681 5.254 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -4.441 10.270 4.618 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -6.677 10.201 5.464 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -6.608 8.472 5.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -6.383 9.701 7.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -4.952 8.845 7.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -5.019 10.520 7.208 1.00 0.00 H new ATOM 692 N GLU A 49 -3.906 4.934 5.206 1.00 0.00 N ATOM 693 CA GLU A 49 -3.882 3.578 5.740 1.00 0.00 C ATOM 694 C GLU A 49 -5.195 2.856 5.451 1.00 0.00 C ATOM 695 O GLU A 49 -6.275 3.426 5.600 1.00 0.00 O ATOM 696 CB GLU A 49 -3.623 3.604 7.248 1.00 0.00 C ATOM 697 CG GLU A 49 -2.537 4.583 7.662 1.00 0.00 C ATOM 698 CD GLU A 49 -3.074 5.980 7.907 1.00 0.00 C ATOM 699 OE1 GLU A 49 -4.231 6.100 8.361 1.00 0.00 O ATOM 700 OE2 GLU A 49 -2.335 6.953 7.646 1.00 0.00 O ATOM 0 H GLU A 49 -4.135 5.654 5.892 1.00 0.00 H new ATOM 0 HA GLU A 49 -3.074 3.036 5.249 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -4.549 3.862 7.763 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -3.343 2.603 7.577 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -2.052 4.220 8.568 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -1.773 4.622 6.885 1.00 0.00 H new ATOM 707 N GLY A 50 -5.093 1.597 5.036 1.00 0.00 N ATOM 708 CA GLY A 50 -6.279 0.818 4.732 1.00 0.00 C ATOM 709 C GLY A 50 -6.569 0.759 3.245 1.00 0.00 C ATOM 710 O GLY A 50 -7.682 0.431 2.835 1.00 0.00 O ATOM 0 H GLY A 50 -4.210 1.103 4.905 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -6.153 -0.195 5.115 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -7.136 1.250 5.249 1.00 0.00 H new ATOM 714 N ASP A 51 -5.566 1.080 2.435 1.00 0.00 N ATOM 715 CA ASP A 51 -5.718 1.063 0.985 1.00 0.00 C ATOM 716 C ASP A 51 -5.227 -0.259 0.403 1.00 0.00 C ATOM 717 O ASP A 51 -4.033 -0.555 0.429 1.00 0.00 O ATOM 718 CB ASP A 51 -4.951 2.227 0.357 1.00 0.00 C ATOM 719 CG ASP A 51 -5.672 3.551 0.519 1.00 0.00 C ATOM 720 OD1 ASP A 51 -5.874 3.978 1.675 1.00 0.00 O ATOM 721 OD2 ASP A 51 -6.036 4.159 -0.509 1.00 0.00 O ATOM 0 H ASP A 51 -4.639 1.355 2.758 1.00 0.00 H new ATOM 0 HA ASP A 51 -6.778 1.170 0.754 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -3.964 2.296 0.814 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -4.798 2.027 -0.704 1.00 0.00 H new ATOM 726 N ARG A 52 -6.158 -1.050 -0.122 1.00 0.00 N ATOM 727 CA ARG A 52 -5.820 -2.341 -0.709 1.00 0.00 C ATOM 728 C ARG A 52 -5.282 -2.170 -2.127 1.00 0.00 C ATOM 729 O ARG A 52 -6.004 -1.743 -3.028 1.00 0.00 O ATOM 730 CB ARG A 52 -7.047 -3.254 -0.725 1.00 0.00 C ATOM 731 CG ARG A 52 -6.715 -4.718 -0.965 1.00 0.00 C ATOM 732 CD ARG A 52 -7.737 -5.636 -0.314 1.00 0.00 C ATOM 733 NE ARG A 52 -9.104 -5.161 -0.514 1.00 0.00 N ATOM 734 CZ ARG A 52 -9.786 -5.337 -1.640 1.00 0.00 C ATOM 735 NH1 ARG A 52 -9.231 -5.973 -2.663 1.00 0.00 N ATOM 736 NH2 ARG A 52 -11.026 -4.876 -1.746 1.00 0.00 N ATOM 0 H ARG A 52 -7.151 -0.819 -0.153 1.00 0.00 H new ATOM 0 HA ARG A 52 -5.043 -2.798 -0.097 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -7.571 -3.160 0.226 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -7.732 -2.914 -1.501 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -6.680 -4.913 -2.037 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -5.723 -4.937 -0.569 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -7.638 -6.640 -0.727 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -7.531 -5.709 0.754 1.00 0.00 H new ATOM 0 HE ARG A 52 -9.560 -4.667 0.253 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -8.278 -6.328 -2.586 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -9.757 -6.107 -3.527 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -11.457 -4.386 -0.962 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -11.548 -5.012 -2.611 1.00 0.00 H new ATOM 750 N ILE A 53 -4.010 -2.505 -2.315 1.00 0.00 N ATOM 751 CA ILE A 53 -3.376 -2.389 -3.622 1.00 0.00 C ATOM 752 C ILE A 53 -3.809 -3.523 -4.546 1.00 0.00 C ATOM 753 O ILE A 53 -3.782 -4.693 -4.164 1.00 0.00 O ATOM 754 CB ILE A 53 -1.840 -2.396 -3.506 1.00 0.00 C ATOM 755 CG1 ILE A 53 -1.372 -1.269 -2.581 1.00 0.00 C ATOM 756 CG2 ILE A 53 -1.204 -2.258 -4.881 1.00 0.00 C ATOM 757 CD1 ILE A 53 -0.088 -1.585 -1.847 1.00 0.00 C ATOM 0 H ILE A 53 -3.399 -2.859 -1.579 1.00 0.00 H new ATOM 0 HA ILE A 53 -3.696 -1.436 -4.044 1.00 0.00 H new ATOM 0 HB ILE A 53 -1.527 -3.348 -3.077 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -1.231 -0.362 -3.169 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -2.155 -1.059 -1.853 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -0.119 -2.265 -4.782 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -1.516 -3.091 -5.511 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.521 -1.320 -5.336 1.00 0.00 H new ATOM 0 HD11 ILE A 53 0.184 -0.743 -1.210 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -0.230 -2.474 -1.232 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.708 -1.766 -2.569 1.00 0.00 H new ATOM 769 N ILE A 54 -4.206 -3.167 -5.763 1.00 0.00 N ATOM 770 CA ILE A 54 -4.642 -4.155 -6.743 1.00 0.00 C ATOM 771 C ILE A 54 -3.568 -4.393 -7.798 1.00 0.00 C ATOM 772 O ILE A 54 -3.248 -5.536 -8.128 1.00 0.00 O ATOM 773 CB ILE A 54 -5.944 -3.719 -7.440 1.00 0.00 C ATOM 774 CG1 ILE A 54 -6.790 -2.860 -6.499 1.00 0.00 C ATOM 775 CG2 ILE A 54 -6.730 -4.937 -7.904 1.00 0.00 C ATOM 776 CD1 ILE A 54 -7.349 -3.626 -5.320 1.00 0.00 C ATOM 0 H ILE A 54 -4.235 -2.203 -6.094 1.00 0.00 H new ATOM 0 HA ILE A 54 -4.824 -5.082 -6.198 1.00 0.00 H new ATOM 0 HB ILE A 54 -5.687 -3.121 -8.314 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -6.183 -2.034 -6.130 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -7.615 -2.423 -7.062 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -7.648 -4.613 -8.395 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -6.127 -5.513 -8.606 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -6.979 -5.559 -7.044 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -7.938 -2.954 -4.696 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -7.983 -4.436 -5.680 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -6.529 -4.041 -4.734 1.00 0.00 H new ATOM 788 N LYS A 55 -3.012 -3.307 -8.325 1.00 0.00 N ATOM 789 CA LYS A 55 -1.971 -3.396 -9.342 1.00 0.00 C ATOM 790 C LYS A 55 -0.719 -2.643 -8.905 1.00 0.00 C ATOM 791 O LYS A 55 -0.782 -1.751 -8.059 1.00 0.00 O ATOM 792 CB LYS A 55 -2.479 -2.835 -10.672 1.00 0.00 C ATOM 793 CG LYS A 55 -1.538 -3.087 -11.837 1.00 0.00 C ATOM 794 CD LYS A 55 -1.924 -2.262 -13.054 1.00 0.00 C ATOM 795 CE LYS A 55 -2.925 -2.999 -13.931 1.00 0.00 C ATOM 796 NZ LYS A 55 -2.401 -4.316 -14.385 1.00 0.00 N ATOM 0 H LYS A 55 -3.265 -2.354 -8.064 1.00 0.00 H new ATOM 0 HA LYS A 55 -1.714 -4.447 -9.473 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -3.449 -3.278 -10.897 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -2.636 -1.761 -10.568 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -0.517 -2.845 -11.541 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -1.552 -4.146 -12.095 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -2.351 -1.313 -12.731 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -1.032 -2.029 -13.635 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -3.852 -3.148 -13.377 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -3.168 -2.386 -14.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -2.443 -4.367 -15.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -1.415 -4.423 -14.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -2.978 -5.079 -13.977 1.00 0.00 H new ATOM 810 N VAL A 56 0.419 -3.006 -9.489 1.00 0.00 N ATOM 811 CA VAL A 56 1.686 -2.363 -9.162 1.00 0.00 C ATOM 812 C VAL A 56 2.531 -2.147 -10.412 1.00 0.00 C ATOM 813 O VAL A 56 3.115 -3.087 -10.949 1.00 0.00 O ATOM 814 CB VAL A 56 2.492 -3.195 -8.148 1.00 0.00 C ATOM 815 CG1 VAL A 56 3.902 -2.642 -8.004 1.00 0.00 C ATOM 816 CG2 VAL A 56 1.784 -3.226 -6.802 1.00 0.00 C ATOM 0 H VAL A 56 0.489 -3.742 -10.191 1.00 0.00 H new ATOM 0 HA VAL A 56 1.446 -1.397 -8.718 1.00 0.00 H new ATOM 0 HB VAL A 56 2.564 -4.217 -8.519 1.00 0.00 H new ATOM 0 HG11 VAL A 56 4.457 -3.243 -7.283 1.00 0.00 H new ATOM 0 HG12 VAL A 56 4.407 -2.676 -8.970 1.00 0.00 H new ATOM 0 HG13 VAL A 56 3.854 -1.610 -7.656 1.00 0.00 H new ATOM 0 HG21 VAL A 56 2.368 -3.818 -6.097 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.680 -2.210 -6.422 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.797 -3.672 -6.920 1.00 0.00 H new ATOM 826 N ASN A 57 2.592 -0.901 -10.871 1.00 0.00 N ATOM 827 CA ASN A 57 3.367 -0.561 -12.059 1.00 0.00 C ATOM 828 C ASN A 57 3.109 -1.562 -13.181 1.00 0.00 C ATOM 829 O ASN A 57 4.019 -1.922 -13.928 1.00 0.00 O ATOM 830 CB ASN A 57 4.859 -0.523 -11.727 1.00 0.00 C ATOM 831 CG ASN A 57 5.392 -1.879 -11.305 1.00 0.00 C ATOM 832 OD1 ASN A 57 5.293 -2.856 -12.047 1.00 0.00 O ATOM 833 ND2 ASN A 57 5.961 -1.944 -10.107 1.00 0.00 N ATOM 0 H ASN A 57 2.114 -0.110 -10.439 1.00 0.00 H new ATOM 0 HA ASN A 57 3.052 0.426 -12.397 1.00 0.00 H new ATOM 0 HB2 ASN A 57 5.413 -0.173 -12.598 1.00 0.00 H new ATOM 0 HB3 ASN A 57 5.032 0.197 -10.928 1.00 0.00 H new ATOM 0 HD21 ASN A 57 6.338 -2.829 -9.769 1.00 0.00 H new ATOM 0 HD22 ASN A 57 6.021 -1.108 -9.525 1.00 0.00 H new ATOM 840 N GLY A 58 1.862 -2.009 -13.294 1.00 0.00 N ATOM 841 CA GLY A 58 1.507 -2.964 -14.328 1.00 0.00 C ATOM 842 C GLY A 58 1.459 -4.388 -13.810 1.00 0.00 C ATOM 843 O GLY A 58 0.663 -5.202 -14.281 1.00 0.00 O ATOM 0 H GLY A 58 1.091 -1.727 -12.688 1.00 0.00 H new ATOM 0 HA2 GLY A 58 0.535 -2.699 -14.745 1.00 0.00 H new ATOM 0 HA3 GLY A 58 2.230 -2.900 -15.141 1.00 0.00 H new ATOM 847 N THR A 59 2.313 -4.691 -12.837 1.00 0.00 N ATOM 848 CA THR A 59 2.366 -6.027 -12.257 1.00 0.00 C ATOM 849 C THR A 59 1.201 -6.259 -11.302 1.00 0.00 C ATOM 850 O THR A 59 1.094 -5.601 -10.268 1.00 0.00 O ATOM 851 CB THR A 59 3.689 -6.258 -11.501 1.00 0.00 C ATOM 852 OG1 THR A 59 4.778 -5.686 -12.233 1.00 0.00 O ATOM 853 CG2 THR A 59 3.938 -7.744 -11.289 1.00 0.00 C ATOM 0 H THR A 59 2.977 -4.029 -12.435 1.00 0.00 H new ATOM 0 HA THR A 59 2.300 -6.734 -13.084 1.00 0.00 H new ATOM 0 HB THR A 59 3.614 -5.775 -10.526 1.00 0.00 H new ATOM 0 HG1 THR A 59 4.825 -4.724 -12.051 1.00 0.00 H new ATOM 0 HG21 THR A 59 4.877 -7.883 -10.754 1.00 0.00 H new ATOM 0 HG22 THR A 59 3.122 -8.170 -10.706 1.00 0.00 H new ATOM 0 HG23 THR A 59 3.994 -8.245 -12.255 1.00 0.00 H new ATOM 861 N MET A 60 0.331 -7.199 -11.655 1.00 0.00 N ATOM 862 CA MET A 60 -0.827 -7.519 -10.827 1.00 0.00 C ATOM 863 C MET A 60 -0.427 -8.409 -9.655 1.00 0.00 C ATOM 864 O MET A 60 -0.083 -9.576 -9.838 1.00 0.00 O ATOM 865 CB MET A 60 -1.904 -8.211 -11.664 1.00 0.00 C ATOM 866 CG MET A 60 -2.736 -7.251 -12.498 1.00 0.00 C ATOM 867 SD MET A 60 -3.953 -6.353 -11.516 1.00 0.00 S ATOM 868 CE MET A 60 -5.332 -7.496 -11.559 1.00 0.00 C ATOM 0 H MET A 60 0.405 -7.753 -12.508 1.00 0.00 H new ATOM 0 HA MET A 60 -1.229 -6.586 -10.432 1.00 0.00 H new ATOM 0 HB2 MET A 60 -1.429 -8.936 -12.325 1.00 0.00 H new ATOM 0 HB3 MET A 60 -2.565 -8.770 -11.001 1.00 0.00 H new ATOM 0 HG2 MET A 60 -2.075 -6.538 -12.991 1.00 0.00 H new ATOM 0 HG3 MET A 60 -3.248 -7.808 -13.283 1.00 0.00 H new ATOM 0 HE1 MET A 60 -6.166 -7.081 -10.993 1.00 0.00 H new ATOM 0 HE2 MET A 60 -5.639 -7.657 -12.592 1.00 0.00 H new ATOM 0 HE3 MET A 60 -5.031 -8.446 -11.118 1.00 0.00 H new ATOM 878 N VAL A 61 -0.474 -7.849 -8.450 1.00 0.00 N ATOM 879 CA VAL A 61 -0.118 -8.593 -7.247 1.00 0.00 C ATOM 880 C VAL A 61 -1.360 -8.988 -6.457 1.00 0.00 C ATOM 881 O VAL A 61 -1.288 -9.253 -5.257 1.00 0.00 O ATOM 882 CB VAL A 61 0.817 -7.774 -6.338 1.00 0.00 C ATOM 883 CG1 VAL A 61 1.949 -7.161 -7.148 1.00 0.00 C ATOM 884 CG2 VAL A 61 0.035 -6.697 -5.601 1.00 0.00 C ATOM 0 H VAL A 61 -0.755 -6.883 -8.281 1.00 0.00 H new ATOM 0 HA VAL A 61 0.402 -9.494 -7.574 1.00 0.00 H new ATOM 0 HB VAL A 61 1.254 -8.445 -5.598 1.00 0.00 H new ATOM 0 HG11 VAL A 61 2.599 -6.586 -6.488 1.00 0.00 H new ATOM 0 HG12 VAL A 61 2.526 -7.953 -7.625 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.535 -6.503 -7.912 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.712 -6.128 -4.963 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -0.432 -6.027 -6.324 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.736 -7.163 -4.987 1.00 0.00 H new ATOM 894 N THR A 62 -2.501 -9.026 -7.138 1.00 0.00 N ATOM 895 CA THR A 62 -3.760 -9.388 -6.501 1.00 0.00 C ATOM 896 C THR A 62 -3.677 -10.770 -5.865 1.00 0.00 C ATOM 897 O THR A 62 -4.479 -11.114 -4.998 1.00 0.00 O ATOM 898 CB THR A 62 -4.926 -9.367 -7.507 1.00 0.00 C ATOM 899 OG1 THR A 62 -4.549 -10.052 -8.707 1.00 0.00 O ATOM 900 CG2 THR A 62 -5.331 -7.939 -7.838 1.00 0.00 C ATOM 0 H THR A 62 -2.578 -8.810 -8.132 1.00 0.00 H new ATOM 0 HA THR A 62 -3.946 -8.645 -5.726 1.00 0.00 H new ATOM 0 HB THR A 62 -5.778 -9.872 -7.052 1.00 0.00 H new ATOM 0 HG1 THR A 62 -4.104 -10.894 -8.477 1.00 0.00 H new ATOM 0 HG21 THR A 62 -6.156 -7.951 -8.550 1.00 0.00 H new ATOM 0 HG22 THR A 62 -5.645 -7.429 -6.927 1.00 0.00 H new ATOM 0 HG23 THR A 62 -4.482 -7.412 -8.274 1.00 0.00 H new ATOM 908 N ASN A 63 -2.700 -11.559 -6.301 1.00 0.00 N ATOM 909 CA ASN A 63 -2.512 -12.906 -5.773 1.00 0.00 C ATOM 910 C ASN A 63 -1.132 -13.055 -5.142 1.00 0.00 C ATOM 911 O ASN A 63 -0.960 -13.781 -4.163 1.00 0.00 O ATOM 912 CB ASN A 63 -2.691 -13.941 -6.885 1.00 0.00 C ATOM 913 CG ASN A 63 -2.220 -13.430 -8.233 1.00 0.00 C ATOM 914 OD1 ASN A 63 -2.964 -12.761 -8.950 1.00 0.00 O ATOM 915 ND2 ASN A 63 -0.978 -13.744 -8.583 1.00 0.00 N ATOM 0 H ASN A 63 -2.027 -11.289 -7.018 1.00 0.00 H new ATOM 0 HA ASN A 63 -3.264 -13.076 -5.003 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -2.138 -14.845 -6.629 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -3.743 -14.219 -6.952 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -0.605 -13.428 -9.478 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -0.397 -14.301 -7.956 1.00 0.00 H new ATOM 922 N SER A 64 -0.150 -12.361 -5.708 1.00 0.00 N ATOM 923 CA SER A 64 1.217 -12.418 -5.203 1.00 0.00 C ATOM 924 C SER A 64 1.255 -12.135 -3.705 1.00 0.00 C ATOM 925 O SER A 64 0.216 -11.956 -3.069 1.00 0.00 O ATOM 926 CB SER A 64 2.100 -11.414 -5.946 1.00 0.00 C ATOM 927 OG SER A 64 2.377 -11.855 -7.264 1.00 0.00 O ATOM 0 H SER A 64 -0.275 -11.752 -6.517 1.00 0.00 H new ATOM 0 HA SER A 64 1.600 -13.424 -5.375 1.00 0.00 H new ATOM 0 HB2 SER A 64 1.603 -10.444 -5.981 1.00 0.00 H new ATOM 0 HB3 SER A 64 3.034 -11.274 -5.402 1.00 0.00 H new ATOM 0 HG SER A 64 2.941 -11.195 -7.718 1.00 0.00 H new ATOM 933 N SER A 65 2.460 -12.095 -3.146 1.00 0.00 N ATOM 934 CA SER A 65 2.635 -11.837 -1.722 1.00 0.00 C ATOM 935 C SER A 65 3.463 -10.576 -1.496 1.00 0.00 C ATOM 936 O SER A 65 4.039 -10.021 -2.432 1.00 0.00 O ATOM 937 CB SER A 65 3.309 -13.032 -1.045 1.00 0.00 C ATOM 938 OG SER A 65 3.194 -12.951 0.365 1.00 0.00 O ATOM 0 H SER A 65 3.330 -12.238 -3.658 1.00 0.00 H new ATOM 0 HA SER A 65 1.649 -11.687 -1.281 1.00 0.00 H new ATOM 0 HB2 SER A 65 2.854 -13.958 -1.397 1.00 0.00 H new ATOM 0 HB3 SER A 65 4.362 -13.067 -1.326 1.00 0.00 H new ATOM 0 HG SER A 65 3.631 -13.727 0.774 1.00 0.00 H new ATOM 944 N HIS A 66 3.517 -10.127 -0.246 1.00 0.00 N ATOM 945 CA HIS A 66 4.275 -8.931 0.105 1.00 0.00 C ATOM 946 C HIS A 66 5.673 -8.976 -0.503 1.00 0.00 C ATOM 947 O HIS A 66 6.032 -8.131 -1.325 1.00 0.00 O ATOM 948 CB HIS A 66 4.371 -8.791 1.625 1.00 0.00 C ATOM 949 CG HIS A 66 5.118 -7.570 2.067 1.00 0.00 C ATOM 950 ND1 HIS A 66 5.716 -7.461 3.305 1.00 0.00 N ATOM 951 CD2 HIS A 66 5.365 -6.403 1.428 1.00 0.00 C ATOM 952 CE1 HIS A 66 6.296 -6.279 3.409 1.00 0.00 C ATOM 953 NE2 HIS A 66 6.098 -5.617 2.283 1.00 0.00 N ATOM 0 H HIS A 66 3.045 -10.573 0.541 1.00 0.00 H new ATOM 0 HA HIS A 66 3.750 -8.066 -0.300 1.00 0.00 H new ATOM 0 HB2 HIS A 66 3.365 -8.763 2.044 1.00 0.00 H new ATOM 0 HB3 HIS A 66 4.861 -9.675 2.033 1.00 0.00 H new ATOM 0 HD2 HIS A 66 5.045 -6.139 0.431 1.00 0.00 H new ATOM 0 HE1 HIS A 66 6.840 -5.915 4.268 1.00 0.00 H new ATOM 0 HE2 HIS A 66 6.435 -4.675 2.081 1.00 0.00 H new ATOM 962 N LEU A 67 6.459 -9.966 -0.094 1.00 0.00 N ATOM 963 CA LEU A 67 7.820 -10.120 -0.598 1.00 0.00 C ATOM 964 C LEU A 67 7.860 -9.960 -2.115 1.00 0.00 C ATOM 965 O LEU A 67 8.664 -9.195 -2.646 1.00 0.00 O ATOM 966 CB LEU A 67 8.378 -11.489 -0.204 1.00 0.00 C ATOM 967 CG LEU A 67 9.902 -11.599 -0.143 1.00 0.00 C ATOM 968 CD1 LEU A 67 10.532 -10.981 -1.381 1.00 0.00 C ATOM 969 CD2 LEU A 67 10.435 -10.934 1.118 1.00 0.00 C ATOM 0 H LEU A 67 6.178 -10.674 0.585 1.00 0.00 H new ATOM 0 HA LEU A 67 8.437 -9.340 -0.152 1.00 0.00 H new ATOM 0 HB2 LEU A 67 7.975 -11.756 0.773 1.00 0.00 H new ATOM 0 HB3 LEU A 67 8.008 -12.228 -0.915 1.00 0.00 H new ATOM 0 HG LEU A 67 10.170 -12.655 -0.113 1.00 0.00 H new ATOM 0 HD11 LEU A 67 11.617 -11.069 -1.320 1.00 0.00 H new ATOM 0 HD12 LEU A 67 10.175 -11.502 -2.269 1.00 0.00 H new ATOM 0 HD13 LEU A 67 10.256 -9.928 -1.443 1.00 0.00 H new ATOM 0 HD21 LEU A 67 11.521 -11.022 1.145 1.00 0.00 H new ATOM 0 HD22 LEU A 67 10.156 -9.880 1.119 1.00 0.00 H new ATOM 0 HD23 LEU A 67 10.010 -11.423 1.995 1.00 0.00 H new ATOM 981 N GLU A 68 6.985 -10.685 -2.805 1.00 0.00 N ATOM 982 CA GLU A 68 6.920 -10.621 -4.260 1.00 0.00 C ATOM 983 C GLU A 68 6.652 -9.195 -4.731 1.00 0.00 C ATOM 984 O GLU A 68 7.009 -8.820 -5.848 1.00 0.00 O ATOM 985 CB GLU A 68 5.830 -11.557 -4.786 1.00 0.00 C ATOM 986 CG GLU A 68 6.040 -13.012 -4.402 1.00 0.00 C ATOM 987 CD GLU A 68 6.873 -13.769 -5.418 1.00 0.00 C ATOM 988 OE1 GLU A 68 8.117 -13.706 -5.331 1.00 0.00 O ATOM 989 OE2 GLU A 68 6.281 -14.426 -6.300 1.00 0.00 O ATOM 0 H GLU A 68 6.312 -11.323 -2.380 1.00 0.00 H new ATOM 0 HA GLU A 68 7.884 -10.940 -4.655 1.00 0.00 H new ATOM 0 HB2 GLU A 68 4.864 -11.225 -4.406 1.00 0.00 H new ATOM 0 HB3 GLU A 68 5.789 -11.479 -5.872 1.00 0.00 H new ATOM 0 HG2 GLU A 68 6.529 -13.060 -3.429 1.00 0.00 H new ATOM 0 HG3 GLU A 68 5.071 -13.500 -4.297 1.00 0.00 H new ATOM 996 N VAL A 69 6.020 -8.403 -3.871 1.00 0.00 N ATOM 997 CA VAL A 69 5.703 -7.018 -4.197 1.00 0.00 C ATOM 998 C VAL A 69 6.883 -6.099 -3.897 1.00 0.00 C ATOM 999 O VAL A 69 7.224 -5.228 -4.697 1.00 0.00 O ATOM 1000 CB VAL A 69 4.471 -6.525 -3.416 1.00 0.00 C ATOM 1001 CG1 VAL A 69 4.054 -5.142 -3.893 1.00 0.00 C ATOM 1002 CG2 VAL A 69 3.323 -7.513 -3.552 1.00 0.00 C ATOM 0 H VAL A 69 5.717 -8.697 -2.942 1.00 0.00 H new ATOM 0 HA VAL A 69 5.483 -6.986 -5.264 1.00 0.00 H new ATOM 0 HB VAL A 69 4.736 -6.455 -2.361 1.00 0.00 H new ATOM 0 HG11 VAL A 69 3.182 -4.810 -3.330 1.00 0.00 H new ATOM 0 HG12 VAL A 69 4.874 -4.441 -3.738 1.00 0.00 H new ATOM 0 HG13 VAL A 69 3.807 -5.182 -4.954 1.00 0.00 H new ATOM 0 HG21 VAL A 69 2.461 -7.148 -2.994 1.00 0.00 H new ATOM 0 HG22 VAL A 69 3.056 -7.618 -4.604 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.628 -8.482 -3.156 1.00 0.00 H new ATOM 1012 N VAL A 70 7.503 -6.301 -2.739 1.00 0.00 N ATOM 1013 CA VAL A 70 8.646 -5.492 -2.333 1.00 0.00 C ATOM 1014 C VAL A 70 9.579 -5.229 -3.510 1.00 0.00 C ATOM 1015 O VAL A 70 10.022 -4.101 -3.725 1.00 0.00 O ATOM 1016 CB VAL A 70 9.442 -6.172 -1.203 1.00 0.00 C ATOM 1017 CG1 VAL A 70 10.672 -5.351 -0.847 1.00 0.00 C ATOM 1018 CG2 VAL A 70 8.559 -6.382 0.018 1.00 0.00 C ATOM 0 H VAL A 70 7.233 -7.018 -2.065 1.00 0.00 H new ATOM 0 HA VAL A 70 8.250 -4.544 -1.969 1.00 0.00 H new ATOM 0 HB VAL A 70 9.776 -7.148 -1.554 1.00 0.00 H new ATOM 0 HG11 VAL A 70 11.222 -5.847 -0.047 1.00 0.00 H new ATOM 0 HG12 VAL A 70 11.313 -5.257 -1.724 1.00 0.00 H new ATOM 0 HG13 VAL A 70 10.364 -4.360 -0.515 1.00 0.00 H new ATOM 0 HG21 VAL A 70 9.137 -6.863 0.807 1.00 0.00 H new ATOM 0 HG22 VAL A 70 8.193 -5.418 0.373 1.00 0.00 H new ATOM 0 HG23 VAL A 70 7.713 -7.015 -0.249 1.00 0.00 H new ATOM 1028 N LYS A 71 9.873 -6.278 -4.270 1.00 0.00 N ATOM 1029 CA LYS A 71 10.752 -6.163 -5.428 1.00 0.00 C ATOM 1030 C LYS A 71 10.162 -5.214 -6.466 1.00 0.00 C ATOM 1031 O LYS A 71 10.890 -4.476 -7.132 1.00 0.00 O ATOM 1032 CB LYS A 71 10.988 -7.539 -6.054 1.00 0.00 C ATOM 1033 CG LYS A 71 9.736 -8.396 -6.129 1.00 0.00 C ATOM 1034 CD LYS A 71 9.875 -9.497 -7.167 1.00 0.00 C ATOM 1035 CE LYS A 71 10.580 -10.717 -6.595 1.00 0.00 C ATOM 1036 NZ LYS A 71 11.197 -11.552 -7.663 1.00 0.00 N ATOM 0 H LYS A 71 9.515 -7.219 -4.105 1.00 0.00 H new ATOM 0 HA LYS A 71 11.705 -5.757 -5.090 1.00 0.00 H new ATOM 0 HB2 LYS A 71 11.389 -7.408 -7.059 1.00 0.00 H new ATOM 0 HB3 LYS A 71 11.746 -8.067 -5.475 1.00 0.00 H new ATOM 0 HG2 LYS A 71 9.538 -8.838 -5.153 1.00 0.00 H new ATOM 0 HG3 LYS A 71 8.879 -7.769 -6.375 1.00 0.00 H new ATOM 0 HD2 LYS A 71 8.888 -9.783 -7.530 1.00 0.00 H new ATOM 0 HD3 LYS A 71 10.433 -9.122 -8.024 1.00 0.00 H new ATOM 0 HE2 LYS A 71 11.351 -10.396 -5.894 1.00 0.00 H new ATOM 0 HE3 LYS A 71 9.866 -11.318 -6.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 11.668 -12.374 -7.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 10.458 -11.880 -8.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 11.896 -10.987 -8.185 1.00 0.00 H new ATOM 1050 N LEU A 72 8.840 -5.237 -6.598 1.00 0.00 N ATOM 1051 CA LEU A 72 8.152 -4.377 -7.555 1.00 0.00 C ATOM 1052 C LEU A 72 8.178 -2.923 -7.097 1.00 0.00 C ATOM 1053 O LEU A 72 8.455 -2.018 -7.885 1.00 0.00 O ATOM 1054 CB LEU A 72 6.706 -4.841 -7.739 1.00 0.00 C ATOM 1055 CG LEU A 72 6.502 -6.345 -7.923 1.00 0.00 C ATOM 1056 CD1 LEU A 72 5.060 -6.728 -7.626 1.00 0.00 C ATOM 1057 CD2 LEU A 72 6.889 -6.767 -9.333 1.00 0.00 C ATOM 0 H LEU A 72 8.223 -5.841 -6.055 1.00 0.00 H new ATOM 0 HA LEU A 72 8.673 -4.447 -8.510 1.00 0.00 H new ATOM 0 HB2 LEU A 72 6.129 -4.520 -6.872 1.00 0.00 H new ATOM 0 HB3 LEU A 72 6.289 -4.329 -8.606 1.00 0.00 H new ATOM 0 HG LEU A 72 7.148 -6.869 -7.219 1.00 0.00 H new ATOM 0 HD11 LEU A 72 4.933 -7.802 -7.762 1.00 0.00 H new ATOM 0 HD12 LEU A 72 4.817 -6.461 -6.597 1.00 0.00 H new ATOM 0 HD13 LEU A 72 4.395 -6.195 -8.305 1.00 0.00 H new ATOM 0 HD21 LEU A 72 6.737 -7.840 -9.446 1.00 0.00 H new ATOM 0 HD22 LEU A 72 6.269 -6.235 -10.055 1.00 0.00 H new ATOM 0 HD23 LEU A 72 7.938 -6.528 -9.509 1.00 0.00 H new ATOM 1069 N ILE A 73 7.889 -2.706 -5.818 1.00 0.00 N ATOM 1070 CA ILE A 73 7.882 -1.362 -5.254 1.00 0.00 C ATOM 1071 C ILE A 73 9.270 -0.732 -5.316 1.00 0.00 C ATOM 1072 O ILE A 73 9.422 0.425 -5.709 1.00 0.00 O ATOM 1073 CB ILE A 73 7.399 -1.367 -3.792 1.00 0.00 C ATOM 1074 CG1 ILE A 73 5.940 -1.823 -3.716 1.00 0.00 C ATOM 1075 CG2 ILE A 73 7.560 0.015 -3.176 1.00 0.00 C ATOM 1076 CD1 ILE A 73 5.476 -2.131 -2.310 1.00 0.00 C ATOM 0 H ILE A 73 7.657 -3.444 -5.153 1.00 0.00 H new ATOM 0 HA ILE A 73 7.190 -0.772 -5.855 1.00 0.00 H new ATOM 0 HB ILE A 73 8.010 -2.069 -3.225 1.00 0.00 H new ATOM 0 HG12 ILE A 73 5.303 -1.046 -4.138 1.00 0.00 H new ATOM 0 HG13 ILE A 73 5.813 -2.711 -4.335 1.00 0.00 H new ATOM 0 HG21 ILE A 73 7.214 -0.005 -2.142 1.00 0.00 H new ATOM 0 HG22 ILE A 73 8.610 0.305 -3.202 1.00 0.00 H new ATOM 0 HG23 ILE A 73 6.971 0.737 -3.742 1.00 0.00 H new ATOM 0 HD11 ILE A 73 4.433 -2.448 -2.332 1.00 0.00 H new ATOM 0 HD12 ILE A 73 6.089 -2.929 -1.891 1.00 0.00 H new ATOM 0 HD13 ILE A 73 5.571 -1.238 -1.692 1.00 0.00 H new ATOM 1088 N LYS A 74 10.281 -1.502 -4.928 1.00 0.00 N ATOM 1089 CA LYS A 74 11.658 -1.023 -4.942 1.00 0.00 C ATOM 1090 C LYS A 74 12.126 -0.754 -6.369 1.00 0.00 C ATOM 1091 O LYS A 74 12.283 0.398 -6.774 1.00 0.00 O ATOM 1092 CB LYS A 74 12.582 -2.044 -4.275 1.00 0.00 C ATOM 1093 CG LYS A 74 12.570 -1.976 -2.758 1.00 0.00 C ATOM 1094 CD LYS A 74 13.348 -3.126 -2.142 1.00 0.00 C ATOM 1095 CE LYS A 74 14.834 -2.814 -2.060 1.00 0.00 C ATOM 1096 NZ LYS A 74 15.630 -4.004 -1.651 1.00 0.00 N ATOM 0 H LYS A 74 10.172 -2.462 -4.600 1.00 0.00 H new ATOM 0 HA LYS A 74 11.697 -0.088 -4.383 1.00 0.00 H new ATOM 0 HB2 LYS A 74 12.288 -3.046 -4.588 1.00 0.00 H new ATOM 0 HB3 LYS A 74 13.601 -1.885 -4.629 1.00 0.00 H new ATOM 0 HG2 LYS A 74 13.000 -1.029 -2.432 1.00 0.00 H new ATOM 0 HG3 LYS A 74 11.541 -1.999 -2.400 1.00 0.00 H new ATOM 0 HD2 LYS A 74 12.963 -3.333 -1.143 1.00 0.00 H new ATOM 0 HD3 LYS A 74 13.197 -4.028 -2.735 1.00 0.00 H new ATOM 0 HE2 LYS A 74 15.184 -2.459 -3.029 1.00 0.00 H new ATOM 0 HE3 LYS A 74 14.996 -2.006 -1.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 16.637 -3.749 -1.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 15.314 -4.328 -0.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 15.496 -4.767 -2.345 1.00 0.00 H new ATOM 1110 N SER A 75 12.345 -1.823 -7.127 1.00 0.00 N ATOM 1111 CA SER A 75 12.797 -1.702 -8.508 1.00 0.00 C ATOM 1112 C SER A 75 12.137 -0.508 -9.192 1.00 0.00 C ATOM 1113 O SER A 75 10.951 -0.541 -9.516 1.00 0.00 O ATOM 1114 CB SER A 75 12.486 -2.984 -9.283 1.00 0.00 C ATOM 1115 OG SER A 75 13.235 -3.047 -10.484 1.00 0.00 O ATOM 0 H SER A 75 12.217 -2.783 -6.808 1.00 0.00 H new ATOM 0 HA SER A 75 13.875 -1.544 -8.499 1.00 0.00 H new ATOM 0 HB2 SER A 75 12.713 -3.852 -8.663 1.00 0.00 H new ATOM 0 HB3 SER A 75 11.421 -3.025 -9.512 1.00 0.00 H new ATOM 0 HG SER A 75 13.020 -3.876 -10.960 1.00 0.00 H new ATOM 1121 N GLY A 76 12.917 0.546 -9.410 1.00 0.00 N ATOM 1122 CA GLY A 76 12.393 1.736 -10.054 1.00 0.00 C ATOM 1123 C GLY A 76 12.316 2.920 -9.111 1.00 0.00 C ATOM 1124 O GLY A 76 11.684 2.844 -8.058 1.00 0.00 O ATOM 0 H GLY A 76 13.903 0.597 -9.152 1.00 0.00 H new ATOM 0 HA2 GLY A 76 13.025 1.993 -10.904 1.00 0.00 H new ATOM 0 HA3 GLY A 76 11.399 1.524 -10.448 1.00 0.00 H new ATOM 1128 N ALA A 77 12.963 4.018 -9.488 1.00 0.00 N ATOM 1129 CA ALA A 77 12.965 5.223 -8.668 1.00 0.00 C ATOM 1130 C ALA A 77 11.625 5.411 -7.965 1.00 0.00 C ATOM 1131 O ALA A 77 11.569 5.900 -6.836 1.00 0.00 O ATOM 1132 CB ALA A 77 13.292 6.441 -9.520 1.00 0.00 C ATOM 0 H ALA A 77 13.492 4.098 -10.356 1.00 0.00 H new ATOM 0 HA ALA A 77 13.734 5.111 -7.904 1.00 0.00 H new ATOM 0 HB1 ALA A 77 13.290 7.334 -8.895 1.00 0.00 H new ATOM 0 HB2 ALA A 77 14.277 6.316 -9.971 1.00 0.00 H new ATOM 0 HB3 ALA A 77 12.544 6.547 -10.306 1.00 0.00 H new ATOM 1138 N TYR A 78 10.549 5.022 -8.639 1.00 0.00 N ATOM 1139 CA TYR A 78 9.209 5.150 -8.080 1.00 0.00 C ATOM 1140 C TYR A 78 8.373 3.909 -8.377 1.00 0.00 C ATOM 1141 O TYR A 78 8.834 2.979 -9.040 1.00 0.00 O ATOM 1142 CB TYR A 78 8.515 6.392 -8.643 1.00 0.00 C ATOM 1143 CG TYR A 78 8.579 6.490 -10.151 1.00 0.00 C ATOM 1144 CD1 TYR A 78 8.031 5.497 -10.955 1.00 0.00 C ATOM 1145 CD2 TYR A 78 9.189 7.573 -10.771 1.00 0.00 C ATOM 1146 CE1 TYR A 78 8.088 5.582 -12.332 1.00 0.00 C ATOM 1147 CE2 TYR A 78 9.248 7.667 -12.148 1.00 0.00 C ATOM 1148 CZ TYR A 78 8.697 6.669 -12.924 1.00 0.00 C ATOM 1149 OH TYR A 78 8.756 6.758 -14.296 1.00 0.00 O ATOM 0 H TYR A 78 10.579 4.615 -9.574 1.00 0.00 H new ATOM 0 HA TYR A 78 9.303 5.252 -6.999 1.00 0.00 H new ATOM 0 HB2 TYR A 78 7.470 6.387 -8.332 1.00 0.00 H new ATOM 0 HB3 TYR A 78 8.972 7.281 -8.210 1.00 0.00 H new ATOM 0 HD1 TYR A 78 7.553 4.645 -10.495 1.00 0.00 H new ATOM 0 HD2 TYR A 78 9.625 8.355 -10.166 1.00 0.00 H new ATOM 0 HE1 TYR A 78 7.658 4.802 -12.942 1.00 0.00 H new ATOM 0 HE2 TYR A 78 9.723 8.517 -12.614 1.00 0.00 H new ATOM 0 HH TYR A 78 9.217 7.585 -14.551 1.00 0.00 H new ATOM 1159 N VAL A 79 7.140 3.901 -7.881 1.00 0.00 N ATOM 1160 CA VAL A 79 6.237 2.776 -8.094 1.00 0.00 C ATOM 1161 C VAL A 79 4.785 3.237 -8.135 1.00 0.00 C ATOM 1162 O VAL A 79 4.359 4.054 -7.320 1.00 0.00 O ATOM 1163 CB VAL A 79 6.396 1.713 -6.990 1.00 0.00 C ATOM 1164 CG1 VAL A 79 6.097 2.313 -5.624 1.00 0.00 C ATOM 1165 CG2 VAL A 79 5.494 0.520 -7.267 1.00 0.00 C ATOM 0 H VAL A 79 6.743 4.661 -7.329 1.00 0.00 H new ATOM 0 HA VAL A 79 6.502 2.334 -9.055 1.00 0.00 H new ATOM 0 HB VAL A 79 7.429 1.366 -6.989 1.00 0.00 H new ATOM 0 HG11 VAL A 79 6.214 1.548 -4.857 1.00 0.00 H new ATOM 0 HG12 VAL A 79 6.788 3.133 -5.428 1.00 0.00 H new ATOM 0 HG13 VAL A 79 5.074 2.689 -5.608 1.00 0.00 H new ATOM 0 HG21 VAL A 79 5.619 -0.221 -6.478 1.00 0.00 H new ATOM 0 HG22 VAL A 79 4.455 0.848 -7.296 1.00 0.00 H new ATOM 0 HG23 VAL A 79 5.761 0.077 -8.226 1.00 0.00 H new ATOM 1175 N ALA A 80 4.029 2.706 -9.091 1.00 0.00 N ATOM 1176 CA ALA A 80 2.623 3.061 -9.238 1.00 0.00 C ATOM 1177 C ALA A 80 1.724 2.038 -8.551 1.00 0.00 C ATOM 1178 O ALA A 80 1.783 0.845 -8.850 1.00 0.00 O ATOM 1179 CB ALA A 80 2.260 3.181 -10.710 1.00 0.00 C ATOM 0 H ALA A 80 4.367 2.029 -9.775 1.00 0.00 H new ATOM 0 HA ALA A 80 2.465 4.026 -8.757 1.00 0.00 H new ATOM 0 HB1 ALA A 80 1.207 3.447 -10.805 1.00 0.00 H new ATOM 0 HB2 ALA A 80 2.872 3.954 -11.174 1.00 0.00 H new ATOM 0 HB3 ALA A 80 2.440 2.228 -11.208 1.00 0.00 H new ATOM 1185 N LEU A 81 0.893 2.512 -7.629 1.00 0.00 N ATOM 1186 CA LEU A 81 -0.018 1.638 -6.899 1.00 0.00 C ATOM 1187 C LEU A 81 -1.470 2.034 -7.149 1.00 0.00 C ATOM 1188 O LEU A 81 -1.805 3.219 -7.184 1.00 0.00 O ATOM 1189 CB LEU A 81 0.285 1.690 -5.400 1.00 0.00 C ATOM 1190 CG LEU A 81 1.753 1.524 -5.007 1.00 0.00 C ATOM 1191 CD1 LEU A 81 1.976 1.978 -3.573 1.00 0.00 C ATOM 1192 CD2 LEU A 81 2.193 0.078 -5.185 1.00 0.00 C ATOM 0 H LEU A 81 0.831 3.497 -7.369 1.00 0.00 H new ATOM 0 HA LEU A 81 0.129 0.620 -7.258 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -0.069 2.645 -5.011 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -0.293 0.910 -4.905 1.00 0.00 H new ATOM 0 HG LEU A 81 2.358 2.150 -5.663 1.00 0.00 H new ATOM 0 HD11 LEU A 81 3.027 1.853 -3.311 1.00 0.00 H new ATOM 0 HD12 LEU A 81 1.701 3.028 -3.477 1.00 0.00 H new ATOM 0 HD13 LEU A 81 1.361 1.379 -2.902 1.00 0.00 H new ATOM 0 HD21 LEU A 81 3.241 -0.021 -4.901 1.00 0.00 H new ATOM 0 HD22 LEU A 81 1.583 -0.568 -4.554 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.071 -0.214 -6.228 1.00 0.00 H new ATOM 1204 N THR A 82 -2.330 1.035 -7.321 1.00 0.00 N ATOM 1205 CA THR A 82 -3.745 1.278 -7.567 1.00 0.00 C ATOM 1206 C THR A 82 -4.576 0.996 -6.320 1.00 0.00 C ATOM 1207 O THR A 82 -4.887 -0.156 -6.016 1.00 0.00 O ATOM 1208 CB THR A 82 -4.271 0.412 -8.727 1.00 0.00 C ATOM 1209 OG1 THR A 82 -3.559 0.720 -9.931 1.00 0.00 O ATOM 1210 CG2 THR A 82 -5.760 0.639 -8.940 1.00 0.00 C ATOM 0 H THR A 82 -2.070 0.049 -7.294 1.00 0.00 H new ATOM 0 HA THR A 82 -3.843 2.330 -7.836 1.00 0.00 H new ATOM 0 HB THR A 82 -4.113 -0.635 -8.470 1.00 0.00 H new ATOM 0 HG1 THR A 82 -3.898 0.164 -10.663 1.00 0.00 H new ATOM 0 HG21 THR A 82 -6.109 0.017 -9.764 1.00 0.00 H new ATOM 0 HG22 THR A 82 -6.302 0.375 -8.032 1.00 0.00 H new ATOM 0 HG23 THR A 82 -5.938 1.688 -9.177 1.00 0.00 H new ATOM 1218 N LEU A 83 -4.934 2.055 -5.602 1.00 0.00 N ATOM 1219 CA LEU A 83 -5.731 1.921 -4.387 1.00 0.00 C ATOM 1220 C LEU A 83 -7.222 1.937 -4.709 1.00 0.00 C ATOM 1221 O LEU A 83 -7.714 2.848 -5.377 1.00 0.00 O ATOM 1222 CB LEU A 83 -5.397 3.048 -3.408 1.00 0.00 C ATOM 1223 CG LEU A 83 -3.919 3.427 -3.300 1.00 0.00 C ATOM 1224 CD1 LEU A 83 -3.756 4.723 -2.520 1.00 0.00 C ATOM 1225 CD2 LEU A 83 -3.128 2.305 -2.644 1.00 0.00 C ATOM 0 H LEU A 83 -4.685 3.015 -5.840 1.00 0.00 H new ATOM 0 HA LEU A 83 -5.488 0.964 -3.926 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -5.959 3.935 -3.701 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -5.751 2.759 -2.418 1.00 0.00 H new ATOM 0 HG LEU A 83 -3.528 3.581 -4.306 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -2.698 4.977 -2.453 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -4.290 5.524 -3.030 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -4.163 4.597 -1.517 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -2.079 2.592 -2.575 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -3.520 2.120 -1.644 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -3.218 1.398 -3.242 1.00 0.00 H new ATOM 1237 N LEU A 84 -7.936 0.926 -4.228 1.00 0.00 N ATOM 1238 CA LEU A 84 -9.372 0.824 -4.463 1.00 0.00 C ATOM 1239 C LEU A 84 -10.158 1.347 -3.264 1.00 0.00 C ATOM 1240 O LEU A 84 -9.768 1.141 -2.116 1.00 0.00 O ATOM 1241 CB LEU A 84 -9.761 -0.627 -4.748 1.00 0.00 C ATOM 1242 CG LEU A 84 -11.096 -0.837 -5.464 1.00 0.00 C ATOM 1243 CD1 LEU A 84 -11.070 -2.122 -6.276 1.00 0.00 C ATOM 1244 CD2 LEU A 84 -12.241 -0.860 -4.462 1.00 0.00 C ATOM 0 H LEU A 84 -7.544 0.165 -3.673 1.00 0.00 H new ATOM 0 HA LEU A 84 -9.617 1.436 -5.331 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -8.974 -1.082 -5.349 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -9.791 -1.167 -3.801 1.00 0.00 H new ATOM 0 HG LEU A 84 -11.255 -0.003 -6.148 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -12.028 -2.254 -6.778 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -10.275 -2.066 -7.020 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -10.888 -2.968 -5.613 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -13.183 -1.010 -4.989 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -12.088 -1.674 -3.753 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -12.273 0.088 -3.925 1.00 0.00 H new