USER MOD reduce.3.24.130724 H: found=0, std=0, add=500, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 501 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 83 ASN : amide:sc= -0.682 X(o=-0.71,f=-0.7) USER MOD Set 1.2: A 84 ASN : amide:sc= -0.0308 X(o=-0.71,f=-0.64) USER MOD Single : A 48 ASN : amide:sc= -0.218 K(o=-0.22,f=-1.7!) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 SER OG : rot 72:sc= 0.272 USER MOD Single : A 70 GLN : amide:sc= -0.597 K(o=-0.6,f=-1.7) USER MOD Single : A 74 THR OG1 : rot 78:sc= 1.06 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 150:sc= 0 (180deg=-0.319) USER MOD Single : A 82 THR OG1 : rot -80:sc= 0.988 USER MOD Single : A 86 THR OG1 : rot -49:sc= 0.877 USER MOD Single : A 87 HIS : no HD1:sc= -0.33 X(o=-0.33,f=-0.057) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot -32:sc= 1.36 USER MOD Single : A 96 SER OG : rot 180:sc= 0.0148 USER MOD Single : A 99 ASN : amide:sc= 1.07 K(o=1.1,f=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 117 N ILE A 46 -4.543 -12.066 -4.649 1.00 0.00 N ATOM 118 CA ILE A 46 -3.625 -10.933 -4.538 1.00 0.00 C ATOM 119 C ILE A 46 -2.475 -11.234 -3.572 1.00 0.00 C ATOM 120 O ILE A 46 -1.401 -10.642 -3.679 1.00 0.00 O ATOM 121 CB ILE A 46 -4.351 -9.651 -4.077 1.00 0.00 C ATOM 122 CG1 ILE A 46 -5.676 -9.473 -4.831 1.00 0.00 C ATOM 123 CG2 ILE A 46 -3.455 -8.436 -4.277 1.00 0.00 C ATOM 124 CD1 ILE A 46 -6.903 -9.698 -3.971 1.00 0.00 C ATOM 0 HA ILE A 46 -3.219 -10.768 -5.536 1.00 0.00 H new ATOM 0 HB ILE A 46 -4.576 -9.747 -3.015 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -5.715 -8.466 -5.247 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -5.701 -10.166 -5.672 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -3.980 -7.539 -3.948 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -2.542 -8.557 -3.694 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -3.201 -8.341 -5.333 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -7.800 -9.555 -4.573 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -6.889 -10.714 -3.576 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -6.903 -8.988 -3.144 1.00 0.00 H new ATOM 136 N ALA A 47 -2.703 -12.158 -2.632 1.00 0.00 N ATOM 137 CA ALA A 47 -1.681 -12.535 -1.654 1.00 0.00 C ATOM 138 C ALA A 47 -0.380 -12.948 -2.343 1.00 0.00 C ATOM 139 O ALA A 47 0.710 -12.704 -1.823 1.00 0.00 O ATOM 140 CB ALA A 47 -2.189 -13.661 -0.763 1.00 0.00 C ATOM 0 H ALA A 47 -3.586 -12.657 -2.529 1.00 0.00 H new ATOM 0 HA ALA A 47 -1.471 -11.663 -1.035 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -1.418 -13.930 -0.041 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -3.083 -13.331 -0.233 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -2.431 -14.529 -1.376 1.00 0.00 H new ATOM 146 N ASN A 48 -0.501 -13.559 -3.523 1.00 0.00 N ATOM 147 CA ASN A 48 0.666 -13.988 -4.292 1.00 0.00 C ATOM 148 C ASN A 48 1.252 -12.815 -5.075 1.00 0.00 C ATOM 149 O ASN A 48 2.450 -12.784 -5.360 1.00 0.00 O ATOM 150 CB ASN A 48 0.293 -15.124 -5.250 1.00 0.00 C ATOM 151 CG ASN A 48 0.510 -16.499 -4.639 1.00 0.00 C ATOM 152 OD1 ASN A 48 1.398 -16.689 -3.807 1.00 0.00 O ATOM 153 ND2 ASN A 48 -0.298 -17.469 -5.053 1.00 0.00 N ATOM 0 H ASN A 48 -1.396 -13.767 -3.966 1.00 0.00 H new ATOM 0 HA ASN A 48 1.418 -14.354 -3.593 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -0.752 -15.021 -5.541 1.00 0.00 H new ATOM 0 HB3 ASN A 48 0.887 -15.037 -6.160 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -0.195 -18.413 -4.680 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -1.021 -17.270 -5.744 1.00 0.00 H new ATOM 160 N PHE A 49 0.398 -11.847 -5.411 1.00 0.00 N ATOM 161 CA PHE A 49 0.828 -10.664 -6.147 1.00 0.00 C ATOM 162 C PHE A 49 1.785 -9.816 -5.305 1.00 0.00 C ATOM 163 O PHE A 49 2.707 -9.197 -5.838 1.00 0.00 O ATOM 164 CB PHE A 49 -0.388 -9.831 -6.559 1.00 0.00 C ATOM 165 CG PHE A 49 -0.625 -9.803 -8.044 1.00 0.00 C ATOM 166 CD1 PHE A 49 -1.033 -10.944 -8.719 1.00 0.00 C ATOM 167 CD2 PHE A 49 -0.437 -8.635 -8.765 1.00 0.00 C ATOM 168 CE1 PHE A 49 -1.249 -10.918 -10.084 1.00 0.00 C ATOM 169 CE2 PHE A 49 -0.653 -8.604 -10.129 1.00 0.00 C ATOM 170 CZ PHE A 49 -1.059 -9.747 -10.789 1.00 0.00 C ATOM 0 H PHE A 49 -0.596 -11.862 -5.183 1.00 0.00 H new ATOM 0 HA PHE A 49 1.357 -10.991 -7.042 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -1.275 -10.229 -6.066 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -0.256 -8.810 -6.201 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -1.184 -11.863 -8.172 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -0.118 -7.738 -8.255 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -1.566 -11.813 -10.598 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -0.504 -7.686 -10.679 1.00 0.00 H new ATOM 0 HZ PHE A 49 -1.228 -9.725 -11.856 1.00 0.00 H new ATOM 180 N LEU A 50 1.563 -9.797 -3.988 1.00 0.00 N ATOM 181 CA LEU A 50 2.411 -9.034 -3.073 1.00 0.00 C ATOM 182 C LEU A 50 3.787 -9.683 -2.946 1.00 0.00 C ATOM 183 O LEU A 50 3.903 -10.909 -2.919 1.00 0.00 O ATOM 184 CB LEU A 50 1.759 -8.937 -1.689 1.00 0.00 C ATOM 185 CG LEU A 50 0.582 -7.962 -1.583 1.00 0.00 C ATOM 186 CD1 LEU A 50 -0.720 -8.719 -1.361 1.00 0.00 C ATOM 187 CD2 LEU A 50 0.818 -6.961 -0.459 1.00 0.00 C ATOM 0 H LEU A 50 0.803 -10.302 -3.533 1.00 0.00 H new ATOM 0 HA LEU A 50 2.529 -8.031 -3.482 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.414 -9.929 -1.399 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.520 -8.640 -0.968 1.00 0.00 H new ATOM 0 HG LEU A 50 0.504 -7.413 -2.521 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -1.545 -8.010 -1.288 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -0.895 -9.395 -2.198 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -0.653 -9.294 -0.438 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -0.028 -6.276 -0.398 1.00 0.00 H new ATOM 0 HD22 LEU A 50 0.923 -7.493 0.486 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.728 -6.396 -0.660 1.00 0.00 H new ATOM 199 N GLU A 51 4.828 -8.857 -2.864 1.00 0.00 N ATOM 200 CA GLU A 51 6.190 -9.365 -2.736 1.00 0.00 C ATOM 201 C GLU A 51 6.518 -9.683 -1.280 1.00 0.00 C ATOM 202 O GLU A 51 6.140 -8.937 -0.374 1.00 0.00 O ATOM 203 CB GLU A 51 7.198 -8.356 -3.292 1.00 0.00 C ATOM 204 CG GLU A 51 7.167 -8.239 -4.810 1.00 0.00 C ATOM 205 CD GLU A 51 7.980 -9.318 -5.502 1.00 0.00 C ATOM 206 OE1 GLU A 51 7.800 -10.509 -5.169 1.00 0.00 O ATOM 207 OE2 GLU A 51 8.794 -8.972 -6.382 1.00 0.00 O ATOM 0 H GLU A 51 4.755 -7.840 -2.884 1.00 0.00 H new ATOM 0 HA GLU A 51 6.259 -10.285 -3.316 1.00 0.00 H new ATOM 0 HB2 GLU A 51 6.998 -7.377 -2.856 1.00 0.00 H new ATOM 0 HB3 GLU A 51 8.201 -8.646 -2.978 1.00 0.00 H new ATOM 0 HG2 GLU A 51 6.134 -8.294 -5.153 1.00 0.00 H new ATOM 0 HG3 GLU A 51 7.548 -7.260 -5.102 1.00 0.00 H new ATOM 214 N PRO A 52 7.234 -10.801 -1.037 1.00 0.00 N ATOM 215 CA PRO A 52 7.620 -11.221 0.317 1.00 0.00 C ATOM 216 C PRO A 52 8.348 -10.118 1.083 1.00 0.00 C ATOM 217 O PRO A 52 8.099 -9.911 2.271 1.00 0.00 O ATOM 218 CB PRO A 52 8.551 -12.412 0.074 1.00 0.00 C ATOM 219 CG PRO A 52 8.156 -12.937 -1.262 1.00 0.00 C ATOM 220 CD PRO A 52 7.724 -11.741 -2.064 1.00 0.00 C ATOM 0 HA PRO A 52 6.751 -11.464 0.929 1.00 0.00 H new ATOM 0 HB2 PRO A 52 9.597 -12.105 0.085 1.00 0.00 H new ATOM 0 HB3 PRO A 52 8.433 -13.171 0.848 1.00 0.00 H new ATOM 0 HG2 PRO A 52 8.990 -13.449 -1.743 1.00 0.00 H new ATOM 0 HG3 PRO A 52 7.346 -13.661 -1.173 1.00 0.00 H new ATOM 0 HD2 PRO A 52 8.552 -11.319 -2.634 1.00 0.00 H new ATOM 0 HD3 PRO A 52 6.943 -11.998 -2.780 1.00 0.00 H new ATOM 228 N GLN A 53 9.242 -9.407 0.392 1.00 0.00 N ATOM 229 CA GLN A 53 9.999 -8.319 1.008 1.00 0.00 C ATOM 230 C GLN A 53 9.078 -7.157 1.378 1.00 0.00 C ATOM 231 O GLN A 53 9.158 -6.619 2.483 1.00 0.00 O ATOM 232 CB GLN A 53 11.103 -7.833 0.064 1.00 0.00 C ATOM 233 CG GLN A 53 12.489 -7.841 0.693 1.00 0.00 C ATOM 234 CD GLN A 53 13.544 -8.425 -0.228 1.00 0.00 C ATOM 235 OE1 GLN A 53 13.965 -9.569 -0.062 1.00 0.00 O ATOM 236 NE2 GLN A 53 13.979 -7.638 -1.206 1.00 0.00 N ATOM 0 H GLN A 53 9.458 -9.566 -0.592 1.00 0.00 H new ATOM 0 HA GLN A 53 10.457 -8.701 1.920 1.00 0.00 H new ATOM 0 HB2 GLN A 53 11.113 -8.463 -0.825 1.00 0.00 H new ATOM 0 HB3 GLN A 53 10.868 -6.821 -0.265 1.00 0.00 H new ATOM 0 HG2 GLN A 53 12.769 -6.822 0.960 1.00 0.00 H new ATOM 0 HG3 GLN A 53 12.461 -8.416 1.618 1.00 0.00 H new ATOM 0 HE21 GLN A 53 13.603 -6.695 -1.308 1.00 0.00 H new ATOM 0 HE22 GLN A 53 14.689 -7.976 -1.855 1.00 0.00 H new ATOM 245 N ALA A 54 8.199 -6.783 0.447 1.00 0.00 N ATOM 246 CA ALA A 54 7.252 -5.691 0.672 1.00 0.00 C ATOM 247 C ALA A 54 6.297 -6.014 1.821 1.00 0.00 C ATOM 248 O ALA A 54 5.896 -5.124 2.571 1.00 0.00 O ATOM 249 CB ALA A 54 6.470 -5.405 -0.601 1.00 0.00 C ATOM 0 H ALA A 54 8.124 -7.221 -0.471 1.00 0.00 H new ATOM 0 HA ALA A 54 7.819 -4.802 0.948 1.00 0.00 H new ATOM 0 HB1 ALA A 54 5.768 -4.590 -0.422 1.00 0.00 H new ATOM 0 HB2 ALA A 54 7.160 -5.121 -1.396 1.00 0.00 H new ATOM 0 HB3 ALA A 54 5.921 -6.298 -0.899 1.00 0.00 H new ATOM 255 N LEU A 55 5.938 -7.291 1.957 1.00 0.00 N ATOM 256 CA LEU A 55 5.034 -7.727 3.021 1.00 0.00 C ATOM 257 C LEU A 55 5.700 -7.595 4.392 1.00 0.00 C ATOM 258 O LEU A 55 5.040 -7.274 5.381 1.00 0.00 O ATOM 259 CB LEU A 55 4.591 -9.175 2.788 1.00 0.00 C ATOM 260 CG LEU A 55 3.193 -9.334 2.183 1.00 0.00 C ATOM 261 CD1 LEU A 55 3.139 -10.553 1.272 1.00 0.00 C ATOM 262 CD2 LEU A 55 2.144 -9.437 3.283 1.00 0.00 C ATOM 0 H LEU A 55 6.259 -8.041 1.344 1.00 0.00 H new ATOM 0 HA LEU A 55 4.155 -7.082 3.002 1.00 0.00 H new ATOM 0 HB2 LEU A 55 5.313 -9.659 2.130 1.00 0.00 H new ATOM 0 HB3 LEU A 55 4.622 -9.706 3.739 1.00 0.00 H new ATOM 0 HG LEU A 55 2.975 -8.450 1.583 1.00 0.00 H new ATOM 0 HD11 LEU A 55 2.138 -10.649 0.852 1.00 0.00 H new ATOM 0 HD12 LEU A 55 3.862 -10.436 0.465 1.00 0.00 H new ATOM 0 HD13 LEU A 55 3.379 -11.448 1.847 1.00 0.00 H new ATOM 0 HD21 LEU A 55 1.157 -9.549 2.835 1.00 0.00 H new ATOM 0 HD22 LEU A 55 2.358 -10.302 3.910 1.00 0.00 H new ATOM 0 HD23 LEU A 55 2.165 -8.533 3.892 1.00 0.00 H new ATOM 274 N GLU A 56 7.011 -7.844 4.441 1.00 0.00 N ATOM 275 CA GLU A 56 7.767 -7.751 5.688 1.00 0.00 C ATOM 276 C GLU A 56 7.756 -6.323 6.239 1.00 0.00 C ATOM 277 O GLU A 56 7.496 -6.112 7.425 1.00 0.00 O ATOM 278 CB GLU A 56 9.210 -8.216 5.470 1.00 0.00 C ATOM 279 CG GLU A 56 9.891 -8.704 6.740 1.00 0.00 C ATOM 280 CD GLU A 56 11.276 -9.269 6.485 1.00 0.00 C ATOM 281 OE1 GLU A 56 12.163 -8.501 6.055 1.00 0.00 O ATOM 282 OE2 GLU A 56 11.476 -10.479 6.720 1.00 0.00 O ATOM 0 H GLU A 56 7.569 -8.111 3.630 1.00 0.00 H new ATOM 0 HA GLU A 56 7.287 -8.401 6.419 1.00 0.00 H new ATOM 0 HB2 GLU A 56 9.217 -9.019 4.733 1.00 0.00 H new ATOM 0 HB3 GLU A 56 9.789 -7.393 5.051 1.00 0.00 H new ATOM 0 HG2 GLU A 56 9.965 -7.878 7.447 1.00 0.00 H new ATOM 0 HG3 GLU A 56 9.272 -9.469 7.208 1.00 0.00 H new ATOM 289 N ARG A 57 8.036 -5.344 5.373 1.00 0.00 N ATOM 290 CA ARG A 57 8.053 -3.938 5.786 1.00 0.00 C ATOM 291 C ARG A 57 6.637 -3.432 6.073 1.00 0.00 C ATOM 292 O ARG A 57 6.436 -2.609 6.968 1.00 0.00 O ATOM 293 CB ARG A 57 8.733 -3.063 4.723 1.00 0.00 C ATOM 294 CG ARG A 57 7.904 -2.836 3.466 1.00 0.00 C ATOM 295 CD ARG A 57 7.141 -1.521 3.528 1.00 0.00 C ATOM 296 NE ARG A 57 8.035 -0.362 3.539 1.00 0.00 N ATOM 297 CZ ARG A 57 7.718 0.822 4.074 1.00 0.00 C ATOM 298 NH1 ARG A 57 6.524 1.015 4.628 1.00 0.00 N ATOM 299 NH2 ARG A 57 8.597 1.818 4.053 1.00 0.00 N ATOM 0 H ARG A 57 8.253 -5.498 4.388 1.00 0.00 H new ATOM 0 HA ARG A 57 8.631 -3.869 6.707 1.00 0.00 H new ATOM 0 HB2 ARG A 57 8.971 -2.096 5.165 1.00 0.00 H new ATOM 0 HB3 ARG A 57 9.679 -3.526 4.440 1.00 0.00 H new ATOM 0 HG2 ARG A 57 8.557 -2.837 2.593 1.00 0.00 H new ATOM 0 HG3 ARG A 57 7.201 -3.659 3.339 1.00 0.00 H new ATOM 0 HD2 ARG A 57 6.470 -1.452 2.672 1.00 0.00 H new ATOM 0 HD3 ARG A 57 6.519 -1.506 4.423 1.00 0.00 H new ATOM 0 HE ARG A 57 8.956 -0.464 3.113 1.00 0.00 H new ATOM 0 HH11 ARG A 57 5.842 0.257 4.647 1.00 0.00 H new ATOM 0 HH12 ARG A 57 6.291 1.921 5.034 1.00 0.00 H new ATOM 0 HH21 ARG A 57 9.514 1.680 3.629 1.00 0.00 H new ATOM 0 HH22 ARG A 57 8.355 2.721 4.461 1.00 0.00 H new ATOM 313 N LEU A 58 5.660 -3.933 5.312 1.00 0.00 N ATOM 314 CA LEU A 58 4.263 -3.538 5.490 1.00 0.00 C ATOM 315 C LEU A 58 3.757 -3.920 6.884 1.00 0.00 C ATOM 316 O LEU A 58 2.926 -3.219 7.462 1.00 0.00 O ATOM 317 CB LEU A 58 3.382 -4.186 4.417 1.00 0.00 C ATOM 318 CG LEU A 58 2.013 -3.530 4.209 1.00 0.00 C ATOM 319 CD1 LEU A 58 2.170 -2.066 3.819 1.00 0.00 C ATOM 320 CD2 LEU A 58 1.220 -4.286 3.152 1.00 0.00 C ATOM 0 H LEU A 58 5.812 -4.613 4.567 1.00 0.00 H new ATOM 0 HA LEU A 58 4.206 -2.454 5.389 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.921 -4.171 3.470 1.00 0.00 H new ATOM 0 HB3 LEU A 58 3.229 -5.233 4.680 1.00 0.00 H new ATOM 0 HG LEU A 58 1.464 -3.572 5.150 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.186 -1.620 3.676 1.00 0.00 H new ATOM 0 HD12 LEU A 58 2.699 -1.534 4.610 1.00 0.00 H new ATOM 0 HD13 LEU A 58 2.738 -1.995 2.891 1.00 0.00 H new ATOM 0 HD21 LEU A 58 0.250 -3.809 3.015 1.00 0.00 H new ATOM 0 HD22 LEU A 58 1.767 -4.274 2.209 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.075 -5.317 3.474 1.00 0.00 H new ATOM 332 N SER A 59 4.269 -5.031 7.420 1.00 0.00 N ATOM 333 CA SER A 59 3.876 -5.492 8.751 1.00 0.00 C ATOM 334 C SER A 59 4.323 -4.496 9.821 1.00 0.00 C ATOM 335 O SER A 59 3.612 -4.263 10.799 1.00 0.00 O ATOM 336 CB SER A 59 4.476 -6.872 9.039 1.00 0.00 C ATOM 337 OG SER A 59 3.910 -7.863 8.197 1.00 0.00 O ATOM 0 H SER A 59 4.954 -5.625 6.953 1.00 0.00 H new ATOM 0 HA SER A 59 2.789 -5.567 8.776 1.00 0.00 H new ATOM 0 HB2 SER A 59 5.556 -6.840 8.892 1.00 0.00 H new ATOM 0 HB3 SER A 59 4.304 -7.136 10.082 1.00 0.00 H new ATOM 0 HG SER A 59 4.241 -7.743 7.282 1.00 0.00 H new ATOM 343 N ARG A 60 5.505 -3.907 9.623 1.00 0.00 N ATOM 344 CA ARG A 60 6.047 -2.931 10.566 1.00 0.00 C ATOM 345 C ARG A 60 5.183 -1.670 10.609 1.00 0.00 C ATOM 346 O ARG A 60 4.863 -1.167 11.686 1.00 0.00 O ATOM 347 CB ARG A 60 7.487 -2.567 10.192 1.00 0.00 C ATOM 348 CG ARG A 60 8.352 -2.194 11.387 1.00 0.00 C ATOM 349 CD ARG A 60 9.477 -3.196 11.599 1.00 0.00 C ATOM 350 NE ARG A 60 8.989 -4.465 12.143 1.00 0.00 N ATOM 351 CZ ARG A 60 8.721 -4.672 13.436 1.00 0.00 C ATOM 352 NH1 ARG A 60 8.882 -3.695 14.326 1.00 0.00 N ATOM 353 NH2 ARG A 60 8.288 -5.862 13.841 1.00 0.00 N ATOM 0 H ARG A 60 6.103 -4.090 8.818 1.00 0.00 H new ATOM 0 HA ARG A 60 6.042 -3.385 11.557 1.00 0.00 H new ATOM 0 HB2 ARG A 60 7.943 -3.410 9.673 1.00 0.00 H new ATOM 0 HB3 ARG A 60 7.471 -1.732 9.491 1.00 0.00 H new ATOM 0 HG2 ARG A 60 8.773 -1.200 11.236 1.00 0.00 H new ATOM 0 HG3 ARG A 60 7.734 -2.145 12.283 1.00 0.00 H new ATOM 0 HD2 ARG A 60 9.982 -3.379 10.651 1.00 0.00 H new ATOM 0 HD3 ARG A 60 10.217 -2.772 12.278 1.00 0.00 H new ATOM 0 HE ARG A 60 8.845 -5.239 11.495 1.00 0.00 H new ATOM 0 HH11 ARG A 60 9.213 -2.779 14.023 1.00 0.00 H new ATOM 0 HH12 ARG A 60 8.675 -3.863 15.311 1.00 0.00 H new ATOM 0 HH21 ARG A 60 8.161 -6.615 13.165 1.00 0.00 H new ATOM 0 HH22 ARG A 60 8.083 -6.022 14.827 1.00 0.00 H new ATOM 367 N VAL A 61 4.801 -1.168 9.431 1.00 0.00 N ATOM 368 CA VAL A 61 3.968 0.030 9.345 1.00 0.00 C ATOM 369 C VAL A 61 2.550 -0.244 9.857 1.00 0.00 C ATOM 370 O VAL A 61 1.968 0.591 10.551 1.00 0.00 O ATOM 371 CB VAL A 61 3.914 0.607 7.905 1.00 0.00 C ATOM 372 CG1 VAL A 61 3.320 -0.389 6.920 1.00 0.00 C ATOM 373 CG2 VAL A 61 3.136 1.917 7.884 1.00 0.00 C ATOM 0 H VAL A 61 5.055 -1.572 8.529 1.00 0.00 H new ATOM 0 HA VAL A 61 4.435 0.779 9.984 1.00 0.00 H new ATOM 0 HB VAL A 61 4.939 0.804 7.590 1.00 0.00 H new ATOM 0 HG11 VAL A 61 3.300 0.053 5.924 1.00 0.00 H new ATOM 0 HG12 VAL A 61 3.930 -1.293 6.904 1.00 0.00 H new ATOM 0 HG13 VAL A 61 2.305 -0.642 7.226 1.00 0.00 H new ATOM 0 HG21 VAL A 61 3.108 2.307 6.867 1.00 0.00 H new ATOM 0 HG22 VAL A 61 2.119 1.742 8.233 1.00 0.00 H new ATOM 0 HG23 VAL A 61 3.624 2.641 8.537 1.00 0.00 H new ATOM 383 N ALA A 62 2.004 -1.418 9.523 1.00 0.00 N ATOM 384 CA ALA A 62 0.658 -1.800 9.961 1.00 0.00 C ATOM 385 C ALA A 62 0.550 -1.828 11.488 1.00 0.00 C ATOM 386 O ALA A 62 -0.515 -1.554 12.043 1.00 0.00 O ATOM 387 CB ALA A 62 0.271 -3.159 9.389 1.00 0.00 C ATOM 0 H ALA A 62 2.474 -2.120 8.951 1.00 0.00 H new ATOM 0 HA ALA A 62 -0.032 -1.045 9.585 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -0.731 -3.424 9.726 1.00 0.00 H new ATOM 0 HB2 ALA A 62 0.287 -3.113 8.300 1.00 0.00 H new ATOM 0 HB3 ALA A 62 0.980 -3.913 9.731 1.00 0.00 H new ATOM 393 N LEU A 63 1.657 -2.161 12.159 1.00 0.00 N ATOM 394 CA LEU A 63 1.684 -2.222 13.621 1.00 0.00 C ATOM 395 C LEU A 63 1.448 -0.845 14.237 1.00 0.00 C ATOM 396 O LEU A 63 0.815 -0.725 15.285 1.00 0.00 O ATOM 397 CB LEU A 63 3.025 -2.778 14.112 1.00 0.00 C ATOM 398 CG LEU A 63 3.235 -4.278 13.887 1.00 0.00 C ATOM 399 CD1 LEU A 63 4.720 -4.612 13.841 1.00 0.00 C ATOM 400 CD2 LEU A 63 2.537 -5.084 14.974 1.00 0.00 C ATOM 0 H LEU A 63 2.544 -2.392 11.712 1.00 0.00 H new ATOM 0 HA LEU A 63 0.880 -2.887 13.936 1.00 0.00 H new ATOM 0 HB2 LEU A 63 3.828 -2.237 13.612 1.00 0.00 H new ATOM 0 HB3 LEU A 63 3.116 -2.571 15.178 1.00 0.00 H new ATOM 0 HG LEU A 63 2.796 -4.545 12.926 1.00 0.00 H new ATOM 0 HD11 LEU A 63 4.847 -5.683 13.680 1.00 0.00 H new ATOM 0 HD12 LEU A 63 5.191 -4.064 13.025 1.00 0.00 H new ATOM 0 HD13 LEU A 63 5.186 -4.329 14.785 1.00 0.00 H new ATOM 0 HD21 LEU A 63 2.697 -6.148 14.798 1.00 0.00 H new ATOM 0 HD22 LEU A 63 2.945 -4.812 15.947 1.00 0.00 H new ATOM 0 HD23 LEU A 63 1.468 -4.870 14.956 1.00 0.00 H new ATOM 412 N VAL A 64 1.967 0.191 13.581 1.00 0.00 N ATOM 413 CA VAL A 64 1.819 1.558 14.068 1.00 0.00 C ATOM 414 C VAL A 64 0.597 2.233 13.446 1.00 0.00 C ATOM 415 O VAL A 64 -0.292 2.702 14.158 1.00 0.00 O ATOM 416 CB VAL A 64 3.074 2.414 13.778 1.00 0.00 C ATOM 417 CG1 VAL A 64 3.337 3.369 14.930 1.00 0.00 C ATOM 418 CG2 VAL A 64 4.298 1.541 13.522 1.00 0.00 C ATOM 0 H VAL A 64 2.493 0.108 12.711 1.00 0.00 H new ATOM 0 HA VAL A 64 1.687 1.491 15.148 1.00 0.00 H new ATOM 0 HB VAL A 64 2.883 2.992 12.874 1.00 0.00 H new ATOM 0 HG11 VAL A 64 4.223 3.966 14.713 1.00 0.00 H new ATOM 0 HG12 VAL A 64 2.479 4.028 15.059 1.00 0.00 H new ATOM 0 HG13 VAL A 64 3.498 2.799 15.845 1.00 0.00 H new ATOM 0 HG21 VAL A 64 5.162 2.175 13.322 1.00 0.00 H new ATOM 0 HG22 VAL A 64 4.496 0.925 14.399 1.00 0.00 H new ATOM 0 HG23 VAL A 64 4.113 0.898 12.662 1.00 0.00 H new ATOM 428 N ARG A 65 0.559 2.272 12.115 1.00 0.00 N ATOM 429 CA ARG A 65 -0.552 2.881 11.393 1.00 0.00 C ATOM 430 C ARG A 65 -1.123 1.904 10.369 1.00 0.00 C ATOM 431 O ARG A 65 -0.632 1.813 9.242 1.00 0.00 O ATOM 432 CB ARG A 65 -0.096 4.167 10.695 1.00 0.00 C ATOM 433 CG ARG A 65 -0.422 5.433 11.472 1.00 0.00 C ATOM 434 CD ARG A 65 0.829 6.056 12.076 1.00 0.00 C ATOM 435 NE ARG A 65 0.611 7.443 12.484 1.00 0.00 N ATOM 436 CZ ARG A 65 1.593 8.319 12.721 1.00 0.00 C ATOM 437 NH1 ARG A 65 2.868 7.956 12.602 1.00 0.00 N ATOM 438 NH2 ARG A 65 1.297 9.562 13.081 1.00 0.00 N ATOM 0 H ARG A 65 1.288 1.887 11.515 1.00 0.00 H new ATOM 0 HA ARG A 65 -1.332 3.130 12.112 1.00 0.00 H new ATOM 0 HB2 ARG A 65 0.981 4.119 10.531 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -0.566 4.223 9.713 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -0.905 6.153 10.811 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -1.133 5.201 12.265 1.00 0.00 H new ATOM 0 HD2 ARG A 65 1.145 5.470 12.939 1.00 0.00 H new ATOM 0 HD3 ARG A 65 1.641 6.016 11.349 1.00 0.00 H new ATOM 0 HE ARG A 65 -0.351 7.763 12.595 1.00 0.00 H new ATOM 0 HH11 ARG A 65 3.103 7.002 12.328 1.00 0.00 H new ATOM 0 HH12 ARG A 65 3.610 8.632 12.785 1.00 0.00 H new ATOM 0 HH21 ARG A 65 0.322 9.847 13.176 1.00 0.00 H new ATOM 0 HH22 ARG A 65 2.044 10.232 13.262 1.00 0.00 H new ATOM 452 N ARG A 66 -2.164 1.173 10.769 1.00 0.00 N ATOM 453 CA ARG A 66 -2.803 0.202 9.882 1.00 0.00 C ATOM 454 C ARG A 66 -3.354 0.883 8.628 1.00 0.00 C ATOM 455 O ARG A 66 -3.383 0.281 7.557 1.00 0.00 O ATOM 456 CB ARG A 66 -3.930 -0.540 10.608 1.00 0.00 C ATOM 457 CG ARG A 66 -4.489 -1.717 9.819 1.00 0.00 C ATOM 458 CD ARG A 66 -5.387 -2.593 10.679 1.00 0.00 C ATOM 459 NE ARG A 66 -6.166 -3.534 9.874 1.00 0.00 N ATOM 460 CZ ARG A 66 -5.657 -4.628 9.298 1.00 0.00 C ATOM 461 NH1 ARG A 66 -4.367 -4.929 9.440 1.00 0.00 N ATOM 462 NH2 ARG A 66 -6.442 -5.424 8.579 1.00 0.00 N ATOM 0 H ARG A 66 -2.581 1.235 11.698 1.00 0.00 H new ATOM 0 HA ARG A 66 -2.043 -0.519 9.581 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -3.558 -0.900 11.568 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -4.737 0.161 10.821 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -5.053 -1.347 8.963 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -3.667 -2.314 9.425 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -4.778 -3.145 11.394 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -6.063 -1.963 11.256 1.00 0.00 H new ATOM 0 HE ARG A 66 -7.160 -3.344 9.744 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -3.760 -4.323 9.992 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -3.987 -5.766 8.997 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -7.431 -5.200 8.467 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -6.056 -6.259 8.139 1.00 0.00 H new ATOM 476 N ASP A 67 -3.793 2.138 8.773 1.00 0.00 N ATOM 477 CA ASP A 67 -4.346 2.900 7.652 1.00 0.00 C ATOM 478 C ASP A 67 -3.359 2.972 6.487 1.00 0.00 C ATOM 479 O ASP A 67 -3.741 2.791 5.331 1.00 0.00 O ATOM 480 CB ASP A 67 -4.730 4.315 8.101 1.00 0.00 C ATOM 481 CG ASP A 67 -5.988 4.824 7.419 1.00 0.00 C ATOM 482 OD1 ASP A 67 -6.940 4.032 7.251 1.00 0.00 O ATOM 483 OD2 ASP A 67 -6.021 6.017 7.052 1.00 0.00 O ATOM 0 H ASP A 67 -3.775 2.646 9.657 1.00 0.00 H new ATOM 0 HA ASP A 67 -5.240 2.380 7.309 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -4.879 4.322 9.181 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -3.906 4.996 7.889 1.00 0.00 H new ATOM 488 N ARG A 68 -2.091 3.233 6.797 1.00 0.00 N ATOM 489 CA ARG A 68 -1.059 3.321 5.768 1.00 0.00 C ATOM 490 C ARG A 68 -0.836 1.961 5.101 1.00 0.00 C ATOM 491 O ARG A 68 -0.817 1.858 3.873 1.00 0.00 O ATOM 492 CB ARG A 68 0.255 3.828 6.373 1.00 0.00 C ATOM 493 CG ARG A 68 0.537 5.294 6.080 1.00 0.00 C ATOM 494 CD ARG A 68 0.115 6.188 7.237 1.00 0.00 C ATOM 495 NE ARG A 68 1.149 7.164 7.582 1.00 0.00 N ATOM 496 CZ ARG A 68 2.263 6.867 8.257 1.00 0.00 C ATOM 497 NH1 ARG A 68 2.501 5.619 8.658 1.00 0.00 N ATOM 498 NH2 ARG A 68 3.146 7.822 8.529 1.00 0.00 N ATOM 0 H ARG A 68 -1.755 3.386 7.748 1.00 0.00 H new ATOM 0 HA ARG A 68 -1.397 4.027 5.009 1.00 0.00 H new ATOM 0 HB2 ARG A 68 0.228 3.681 7.453 1.00 0.00 H new ATOM 0 HB3 ARG A 68 1.078 3.225 5.989 1.00 0.00 H new ATOM 0 HG2 ARG A 68 1.601 5.428 5.885 1.00 0.00 H new ATOM 0 HG3 ARG A 68 0.007 5.593 5.176 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -0.804 6.712 6.974 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -0.107 5.572 8.108 1.00 0.00 H new ATOM 0 HE ARG A 68 1.011 8.131 7.289 1.00 0.00 H new ATOM 0 HH11 ARG A 68 1.830 4.880 8.450 1.00 0.00 H new ATOM 0 HH12 ARG A 68 3.355 5.403 9.173 1.00 0.00 H new ATOM 0 HH21 ARG A 68 2.972 8.779 8.223 1.00 0.00 H new ATOM 0 HH22 ARG A 68 3.997 7.598 9.044 1.00 0.00 H new ATOM 512 N ALA A 69 -0.668 0.921 5.920 1.00 0.00 N ATOM 513 CA ALA A 69 -0.437 -0.434 5.415 1.00 0.00 C ATOM 514 C ALA A 69 -1.652 -0.989 4.669 1.00 0.00 C ATOM 515 O ALA A 69 -1.502 -1.635 3.630 1.00 0.00 O ATOM 516 CB ALA A 69 -0.051 -1.364 6.558 1.00 0.00 C ATOM 0 H ALA A 69 -0.688 0.991 6.937 1.00 0.00 H new ATOM 0 HA ALA A 69 0.384 -0.378 4.701 1.00 0.00 H new ATOM 0 HB1 ALA A 69 0.118 -2.368 6.169 1.00 0.00 H new ATOM 0 HB2 ALA A 69 0.861 -1.000 7.031 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -0.855 -1.390 7.293 1.00 0.00 H new ATOM 522 N GLN A 70 -2.851 -0.737 5.197 1.00 0.00 N ATOM 523 CA GLN A 70 -4.079 -1.223 4.565 1.00 0.00 C ATOM 524 C GLN A 70 -4.318 -0.519 3.231 1.00 0.00 C ATOM 525 O GLN A 70 -4.778 -1.139 2.274 1.00 0.00 O ATOM 526 CB GLN A 70 -5.296 -1.051 5.492 1.00 0.00 C ATOM 527 CG GLN A 70 -5.677 0.395 5.772 1.00 0.00 C ATOM 528 CD GLN A 70 -6.621 0.969 4.731 1.00 0.00 C ATOM 529 OE1 GLN A 70 -7.563 0.306 4.298 1.00 0.00 O ATOM 530 NE2 GLN A 70 -6.373 2.209 4.323 1.00 0.00 N ATOM 0 H GLN A 70 -2.998 -0.204 6.054 1.00 0.00 H new ATOM 0 HA GLN A 70 -3.951 -2.289 4.376 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -6.151 -1.559 5.046 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -5.088 -1.549 6.439 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -6.145 0.458 6.754 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -4.773 1.003 5.810 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -5.581 2.724 4.708 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -6.975 2.646 3.625 1.00 0.00 H new ATOM 539 N ALA A 71 -3.986 0.773 3.168 1.00 0.00 N ATOM 540 CA ALA A 71 -4.158 1.544 1.941 1.00 0.00 C ATOM 541 C ALA A 71 -3.290 0.975 0.821 1.00 0.00 C ATOM 542 O ALA A 71 -3.699 0.967 -0.339 1.00 0.00 O ATOM 543 CB ALA A 71 -3.838 3.016 2.174 1.00 0.00 C ATOM 0 H ALA A 71 -3.599 1.302 3.949 1.00 0.00 H new ATOM 0 HA ALA A 71 -5.202 1.469 1.638 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -3.974 3.569 1.245 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -4.506 3.417 2.936 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -2.805 3.115 2.508 1.00 0.00 H new ATOM 549 N VAL A 72 -2.100 0.482 1.174 1.00 0.00 N ATOM 550 CA VAL A 72 -1.195 -0.106 0.187 1.00 0.00 C ATOM 551 C VAL A 72 -1.779 -1.403 -0.380 1.00 0.00 C ATOM 552 O VAL A 72 -1.802 -1.603 -1.595 1.00 0.00 O ATOM 553 CB VAL A 72 0.202 -0.399 0.783 1.00 0.00 C ATOM 554 CG1 VAL A 72 1.170 -0.848 -0.304 1.00 0.00 C ATOM 555 CG2 VAL A 72 0.746 0.821 1.514 1.00 0.00 C ATOM 0 H VAL A 72 -1.744 0.479 2.130 1.00 0.00 H new ATOM 0 HA VAL A 72 -1.083 0.628 -0.611 1.00 0.00 H new ATOM 0 HB VAL A 72 0.098 -1.210 1.504 1.00 0.00 H new ATOM 0 HG11 VAL A 72 2.146 -1.048 0.138 1.00 0.00 H new ATOM 0 HG12 VAL A 72 0.792 -1.755 -0.776 1.00 0.00 H new ATOM 0 HG13 VAL A 72 1.266 -0.062 -1.053 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.729 0.591 1.924 1.00 0.00 H new ATOM 0 HG22 VAL A 72 0.830 1.655 0.817 1.00 0.00 H new ATOM 0 HG23 VAL A 72 0.069 1.092 2.324 1.00 0.00 H new ATOM 565 N GLU A 73 -2.257 -2.277 0.510 1.00 0.00 N ATOM 566 CA GLU A 73 -2.848 -3.550 0.097 1.00 0.00 C ATOM 567 C GLU A 73 -4.160 -3.323 -0.649 1.00 0.00 C ATOM 568 O GLU A 73 -4.391 -3.911 -1.707 1.00 0.00 O ATOM 569 CB GLU A 73 -3.080 -4.451 1.312 1.00 0.00 C ATOM 570 CG GLU A 73 -1.810 -5.124 1.815 1.00 0.00 C ATOM 571 CD GLU A 73 -1.821 -6.633 1.642 1.00 0.00 C ATOM 572 OE1 GLU A 73 -2.432 -7.122 0.667 1.00 0.00 O ATOM 573 OE2 GLU A 73 -1.212 -7.327 2.483 1.00 0.00 O ATOM 0 H GLU A 73 -2.246 -2.126 1.519 1.00 0.00 H new ATOM 0 HA GLU A 73 -2.150 -4.044 -0.578 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -3.512 -3.858 2.118 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -3.811 -5.217 1.053 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -0.953 -4.711 1.283 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -1.675 -4.887 2.870 1.00 0.00 H new ATOM 580 N THR A 74 -5.011 -2.455 -0.100 1.00 0.00 N ATOM 581 CA THR A 74 -6.292 -2.138 -0.725 1.00 0.00 C ATOM 582 C THR A 74 -6.077 -1.449 -2.078 1.00 0.00 C ATOM 583 O THR A 74 -6.870 -1.620 -3.002 1.00 0.00 O ATOM 584 CB THR A 74 -7.142 -1.255 0.200 1.00 0.00 C ATOM 585 OG1 THR A 74 -7.304 -1.865 1.471 1.00 0.00 O ATOM 586 CG2 THR A 74 -8.525 -0.971 -0.344 1.00 0.00 C ATOM 0 H THR A 74 -4.835 -1.961 0.775 1.00 0.00 H new ATOM 0 HA THR A 74 -6.828 -3.071 -0.896 1.00 0.00 H new ATOM 0 HB THR A 74 -6.596 -0.315 0.276 1.00 0.00 H new ATOM 0 HG1 THR A 74 -6.486 -1.746 1.998 1.00 0.00 H new ATOM 0 HG21 THR A 74 -9.071 -0.342 0.360 1.00 0.00 H new ATOM 0 HG22 THR A 74 -8.441 -0.456 -1.301 1.00 0.00 H new ATOM 0 HG23 THR A 74 -9.061 -1.910 -0.483 1.00 0.00 H new ATOM 594 N TYR A 75 -4.993 -0.677 -2.186 1.00 0.00 N ATOM 595 CA TYR A 75 -4.660 0.031 -3.418 1.00 0.00 C ATOM 596 C TYR A 75 -4.313 -0.955 -4.539 1.00 0.00 C ATOM 597 O TYR A 75 -4.796 -0.820 -5.664 1.00 0.00 O ATOM 598 CB TYR A 75 -3.490 0.988 -3.148 1.00 0.00 C ATOM 599 CG TYR A 75 -2.694 1.389 -4.369 1.00 0.00 C ATOM 600 CD1 TYR A 75 -1.682 0.575 -4.857 1.00 0.00 C ATOM 601 CD2 TYR A 75 -2.945 2.588 -5.019 1.00 0.00 C ATOM 602 CE1 TYR A 75 -0.942 0.944 -5.960 1.00 0.00 C ATOM 603 CE2 TYR A 75 -2.212 2.965 -6.126 1.00 0.00 C ATOM 604 CZ TYR A 75 -1.209 2.141 -6.593 1.00 0.00 C ATOM 605 OH TYR A 75 -0.474 2.518 -7.695 1.00 0.00 O ATOM 0 H TYR A 75 -4.328 -0.528 -1.427 1.00 0.00 H new ATOM 0 HA TYR A 75 -5.526 0.606 -3.747 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -3.880 1.890 -2.676 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -2.815 0.519 -2.432 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -1.471 -0.363 -4.365 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -3.727 3.237 -4.653 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -0.157 0.299 -6.327 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -2.422 3.900 -6.624 1.00 0.00 H new ATOM 0 HH TYR A 75 -0.792 3.386 -8.019 1.00 0.00 H new ATOM 615 N LEU A 76 -3.474 -1.945 -4.222 1.00 0.00 N ATOM 616 CA LEU A 76 -3.063 -2.952 -5.204 1.00 0.00 C ATOM 617 C LEU A 76 -4.260 -3.764 -5.701 1.00 0.00 C ATOM 618 O LEU A 76 -4.413 -3.977 -6.904 1.00 0.00 O ATOM 619 CB LEU A 76 -2.008 -3.889 -4.604 1.00 0.00 C ATOM 620 CG LEU A 76 -1.563 -5.038 -5.518 1.00 0.00 C ATOM 621 CD1 LEU A 76 -0.450 -4.585 -6.453 1.00 0.00 C ATOM 622 CD2 LEU A 76 -1.118 -6.238 -4.691 1.00 0.00 C ATOM 0 H LEU A 76 -3.067 -2.071 -3.295 1.00 0.00 H new ATOM 0 HA LEU A 76 -2.630 -2.426 -6.055 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -1.132 -3.299 -4.335 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -2.403 -4.312 -3.681 1.00 0.00 H new ATOM 0 HG LEU A 76 -2.415 -5.339 -6.128 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -0.150 -5.416 -7.092 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -0.807 -3.762 -7.072 1.00 0.00 H new ATOM 0 HD13 LEU A 76 0.406 -4.252 -5.866 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -0.806 -7.043 -5.356 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -0.282 -5.950 -4.053 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -1.947 -6.580 -4.071 1.00 0.00 H new ATOM 634 N LYS A 77 -5.106 -4.212 -4.771 1.00 0.00 N ATOM 635 CA LYS A 77 -6.288 -4.997 -5.128 1.00 0.00 C ATOM 636 C LYS A 77 -7.233 -4.196 -6.023 1.00 0.00 C ATOM 637 O LYS A 77 -7.886 -4.759 -6.901 1.00 0.00 O ATOM 638 CB LYS A 77 -7.025 -5.486 -3.875 1.00 0.00 C ATOM 639 CG LYS A 77 -7.530 -4.370 -2.976 1.00 0.00 C ATOM 640 CD LYS A 77 -8.469 -4.898 -1.904 1.00 0.00 C ATOM 641 CE LYS A 77 -9.762 -4.099 -1.849 1.00 0.00 C ATOM 642 NZ LYS A 77 -10.897 -4.833 -2.474 1.00 0.00 N ATOM 0 H LYS A 77 -4.995 -4.046 -3.771 1.00 0.00 H new ATOM 0 HA LYS A 77 -5.946 -5.868 -5.686 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -7.871 -6.102 -4.181 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -6.356 -6.126 -3.300 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -6.684 -3.870 -2.505 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -8.047 -3.623 -3.578 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -8.696 -5.945 -2.102 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -7.974 -4.857 -0.934 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -10.004 -3.872 -0.811 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -9.622 -3.146 -2.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -11.759 -4.254 -2.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -10.677 -5.027 -3.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -11.048 -5.731 -1.972 1.00 0.00 H new ATOM 656 N LYS A 78 -7.298 -2.879 -5.802 1.00 0.00 N ATOM 657 CA LYS A 78 -8.160 -2.011 -6.601 1.00 0.00 C ATOM 658 C LYS A 78 -7.713 -2.010 -8.064 1.00 0.00 C ATOM 659 O LYS A 78 -8.539 -2.119 -8.969 1.00 0.00 O ATOM 660 CB LYS A 78 -8.149 -0.578 -6.049 1.00 0.00 C ATOM 661 CG LYS A 78 -8.888 -0.419 -4.726 1.00 0.00 C ATOM 662 CD LYS A 78 -10.038 0.574 -4.835 1.00 0.00 C ATOM 663 CE LYS A 78 -9.770 1.838 -4.028 1.00 0.00 C ATOM 664 NZ LYS A 78 -10.122 1.674 -2.587 1.00 0.00 N ATOM 0 H LYS A 78 -6.765 -2.395 -5.079 1.00 0.00 H new ATOM 0 HA LYS A 78 -9.177 -2.399 -6.544 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -7.115 -0.258 -5.917 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -8.597 0.088 -6.786 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -9.273 -1.387 -4.406 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -8.190 -0.084 -3.958 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -10.194 0.837 -5.881 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -10.957 0.106 -4.483 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -8.717 2.105 -4.115 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -10.344 2.664 -4.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -9.505 2.279 -2.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -11.114 1.948 -2.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -9.992 0.680 -2.309 1.00 0.00 H new ATOM 678 N LEU A 79 -6.402 -1.899 -8.287 1.00 0.00 N ATOM 679 CA LEU A 79 -5.849 -1.895 -9.643 1.00 0.00 C ATOM 680 C LEU A 79 -6.092 -3.235 -10.339 1.00 0.00 C ATOM 681 O LEU A 79 -6.508 -3.270 -11.497 1.00 0.00 O ATOM 682 CB LEU A 79 -4.346 -1.592 -9.619 1.00 0.00 C ATOM 683 CG LEU A 79 -3.937 -0.325 -8.860 1.00 0.00 C ATOM 684 CD1 LEU A 79 -2.434 -0.109 -8.962 1.00 0.00 C ATOM 685 CD2 LEU A 79 -4.690 0.887 -9.392 1.00 0.00 C ATOM 0 H LEU A 79 -5.705 -1.811 -7.548 1.00 0.00 H new ATOM 0 HA LEU A 79 -6.359 -1.111 -10.203 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.829 -2.443 -9.175 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -3.994 -1.507 -10.647 1.00 0.00 H new ATOM 0 HG LEU A 79 -4.198 -0.453 -7.809 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -2.159 0.795 -8.418 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -1.913 -0.965 -8.532 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -2.152 -0.002 -10.009 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -4.385 1.776 -8.840 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -4.463 1.021 -10.450 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -5.762 0.733 -9.268 1.00 0.00 H new ATOM 697 N ILE A 80 -5.832 -4.335 -9.631 1.00 0.00 N ATOM 698 CA ILE A 80 -6.029 -5.670 -10.195 1.00 0.00 C ATOM 699 C ILE A 80 -7.514 -5.948 -10.436 1.00 0.00 C ATOM 700 O ILE A 80 -7.887 -6.506 -11.470 1.00 0.00 O ATOM 701 CB ILE A 80 -5.443 -6.776 -9.286 1.00 0.00 C ATOM 702 CG1 ILE A 80 -3.980 -6.472 -8.938 1.00 0.00 C ATOM 703 CG2 ILE A 80 -5.554 -8.139 -9.962 1.00 0.00 C ATOM 704 CD1 ILE A 80 -3.417 -7.364 -7.852 1.00 0.00 C ATOM 0 H ILE A 80 -5.486 -4.328 -8.671 1.00 0.00 H new ATOM 0 HA ILE A 80 -5.496 -5.689 -11.146 1.00 0.00 H new ATOM 0 HB ILE A 80 -6.020 -6.799 -8.362 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -3.372 -6.579 -9.836 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -3.899 -5.432 -8.621 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -5.137 -8.905 -9.308 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -6.602 -8.363 -10.160 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -5.002 -8.125 -10.902 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -2.379 -7.092 -7.659 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -4.001 -7.239 -6.940 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -3.465 -8.404 -8.174 1.00 0.00 H new ATOM 716 N ALA A 81 -8.356 -5.551 -9.479 1.00 0.00 N ATOM 717 CA ALA A 81 -9.799 -5.755 -9.589 1.00 0.00 C ATOM 718 C ALA A 81 -10.393 -4.946 -10.743 1.00 0.00 C ATOM 719 O ALA A 81 -11.359 -5.378 -11.374 1.00 0.00 O ATOM 720 CB ALA A 81 -10.491 -5.402 -8.279 1.00 0.00 C ATOM 0 H ALA A 81 -8.062 -5.087 -8.620 1.00 0.00 H new ATOM 0 HA ALA A 81 -9.969 -6.811 -9.801 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -11.565 -5.560 -8.381 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -10.105 -6.036 -7.481 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -10.300 -4.357 -8.037 1.00 0.00 H new ATOM 726 N THR A 82 -9.814 -3.776 -11.021 1.00 0.00 N ATOM 727 CA THR A 82 -10.300 -2.930 -12.108 1.00 0.00 C ATOM 728 C THR A 82 -9.744 -3.396 -13.450 1.00 0.00 C ATOM 729 O THR A 82 -10.501 -3.799 -14.335 1.00 0.00 O ATOM 730 CB THR A 82 -9.930 -1.459 -11.874 1.00 0.00 C ATOM 731 OG1 THR A 82 -8.542 -1.315 -11.623 1.00 0.00 O ATOM 732 CG2 THR A 82 -10.676 -0.829 -10.718 1.00 0.00 C ATOM 0 H THR A 82 -9.015 -3.397 -10.512 1.00 0.00 H new ATOM 0 HA THR A 82 -11.386 -3.015 -12.128 1.00 0.00 H new ATOM 0 HB THR A 82 -10.215 -0.946 -12.792 1.00 0.00 H new ATOM 0 HG1 THR A 82 -8.352 -1.549 -10.691 1.00 0.00 H new ATOM 0 HG21 THR A 82 -10.367 0.210 -10.609 1.00 0.00 H new ATOM 0 HG22 THR A 82 -11.748 -0.870 -10.911 1.00 0.00 H new ATOM 0 HG23 THR A 82 -10.451 -1.373 -9.800 1.00 0.00 H new ATOM 740 N ASN A 83 -8.418 -3.331 -13.597 1.00 0.00 N ATOM 741 CA ASN A 83 -7.759 -3.738 -14.843 1.00 0.00 C ATOM 742 C ASN A 83 -6.239 -3.527 -14.790 1.00 0.00 C ATOM 743 O ASN A 83 -5.490 -4.262 -15.433 1.00 0.00 O ATOM 744 CB ASN A 83 -8.339 -2.967 -16.040 1.00 0.00 C ATOM 745 CG ASN A 83 -8.692 -1.526 -15.700 1.00 0.00 C ATOM 746 OD1 ASN A 83 -9.864 -1.178 -15.569 1.00 0.00 O ATOM 747 ND2 ASN A 83 -7.677 -0.678 -15.560 1.00 0.00 N ATOM 0 H ASN A 83 -7.781 -3.002 -12.872 1.00 0.00 H new ATOM 0 HA ASN A 83 -7.949 -4.804 -14.965 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -7.617 -2.976 -16.856 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -9.232 -3.480 -16.398 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -7.857 0.301 -15.336 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -6.718 -1.006 -15.677 1.00 0.00 H new ATOM 754 N ASN A 84 -5.791 -2.510 -14.042 1.00 0.00 N ATOM 755 CA ASN A 84 -4.363 -2.200 -13.930 1.00 0.00 C ATOM 756 C ASN A 84 -3.572 -3.381 -13.380 1.00 0.00 C ATOM 757 O ASN A 84 -3.510 -3.598 -12.168 1.00 0.00 O ATOM 758 CB ASN A 84 -4.150 -0.976 -13.042 1.00 0.00 C ATOM 759 CG ASN A 84 -4.202 0.317 -13.828 1.00 0.00 C ATOM 760 OD1 ASN A 84 -3.169 0.877 -14.192 1.00 0.00 O ATOM 761 ND2 ASN A 84 -5.409 0.798 -14.098 1.00 0.00 N ATOM 0 H ASN A 84 -6.398 -1.889 -13.506 1.00 0.00 H new ATOM 0 HA ASN A 84 -3.997 -1.986 -14.934 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -4.913 -0.957 -12.264 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -3.185 -1.056 -12.541 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -5.506 1.665 -14.627 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -6.240 0.301 -13.777 1.00 0.00 H new ATOM 768 N VAL A 85 -2.967 -4.133 -14.289 1.00 0.00 N ATOM 769 CA VAL A 85 -2.167 -5.297 -13.923 1.00 0.00 C ATOM 770 C VAL A 85 -0.913 -5.393 -14.791 1.00 0.00 C ATOM 771 O VAL A 85 -0.936 -5.979 -15.876 1.00 0.00 O ATOM 772 CB VAL A 85 -2.971 -6.611 -14.048 1.00 0.00 C ATOM 773 CG1 VAL A 85 -2.201 -7.762 -13.421 1.00 0.00 C ATOM 774 CG2 VAL A 85 -4.348 -6.475 -13.406 1.00 0.00 C ATOM 0 H VAL A 85 -3.015 -3.957 -15.293 1.00 0.00 H new ATOM 0 HA VAL A 85 -1.880 -5.163 -12.880 1.00 0.00 H new ATOM 0 HB VAL A 85 -3.115 -6.822 -15.108 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -2.779 -8.681 -13.516 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -1.245 -7.880 -13.930 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -2.026 -7.551 -12.366 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -4.892 -7.414 -13.509 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -4.234 -6.235 -12.349 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -4.903 -5.678 -13.901 1.00 0.00 H new ATOM 784 N THR A 86 0.180 -4.813 -14.303 1.00 0.00 N ATOM 785 CA THR A 86 1.451 -4.830 -15.027 1.00 0.00 C ATOM 786 C THR A 86 2.637 -4.640 -14.070 1.00 0.00 C ATOM 787 O THR A 86 3.680 -4.108 -14.455 1.00 0.00 O ATOM 788 CB THR A 86 1.448 -3.750 -16.121 1.00 0.00 C ATOM 789 OG1 THR A 86 2.640 -3.796 -16.888 1.00 0.00 O ATOM 790 CG2 THR A 86 1.300 -2.338 -15.587 1.00 0.00 C ATOM 0 H THR A 86 0.213 -4.324 -13.408 1.00 0.00 H new ATOM 0 HA THR A 86 1.566 -5.805 -15.500 1.00 0.00 H new ATOM 0 HB THR A 86 0.576 -3.979 -16.733 1.00 0.00 H new ATOM 0 HG1 THR A 86 3.414 -3.824 -16.288 1.00 0.00 H new ATOM 0 HG21 THR A 86 1.307 -1.632 -16.418 1.00 0.00 H new ATOM 0 HG22 THR A 86 0.359 -2.251 -15.044 1.00 0.00 H new ATOM 0 HG23 THR A 86 2.128 -2.115 -14.915 1.00 0.00 H new ATOM 798 N HIS A 87 2.470 -5.088 -12.820 1.00 0.00 N ATOM 799 CA HIS A 87 3.520 -4.975 -11.808 1.00 0.00 C ATOM 800 C HIS A 87 3.070 -5.591 -10.479 1.00 0.00 C ATOM 801 O HIS A 87 1.969 -6.139 -10.379 1.00 0.00 O ATOM 802 CB HIS A 87 3.913 -3.506 -11.596 1.00 0.00 C ATOM 803 CG HIS A 87 2.779 -2.629 -11.158 1.00 0.00 C ATOM 804 ND1 HIS A 87 2.224 -1.658 -11.964 1.00 0.00 N ATOM 805 CD2 HIS A 87 2.096 -2.579 -9.988 1.00 0.00 C ATOM 806 CE1 HIS A 87 1.251 -1.048 -11.310 1.00 0.00 C ATOM 807 NE2 HIS A 87 1.152 -1.590 -10.111 1.00 0.00 N ATOM 0 H HIS A 87 1.615 -5.533 -12.487 1.00 0.00 H new ATOM 0 HA HIS A 87 4.389 -5.525 -12.169 1.00 0.00 H new ATOM 0 HB2 HIS A 87 4.706 -3.457 -10.850 1.00 0.00 H new ATOM 0 HB3 HIS A 87 4.325 -3.113 -12.525 1.00 0.00 H new ATOM 0 HD2 HIS A 87 2.263 -3.201 -9.121 1.00 0.00 H new ATOM 0 HE1 HIS A 87 0.641 -0.243 -11.692 1.00 0.00 H new ATOM 0 HE2 HIS A 87 0.482 -1.318 -9.392 1.00 0.00 H new ATOM 816 N LYS A 88 3.927 -5.489 -9.463 1.00 0.00 N ATOM 817 CA LYS A 88 3.626 -6.026 -8.137 1.00 0.00 C ATOM 818 C LYS A 88 3.914 -4.982 -7.053 1.00 0.00 C ATOM 819 O LYS A 88 4.265 -3.840 -7.361 1.00 0.00 O ATOM 820 CB LYS A 88 4.446 -7.298 -7.880 1.00 0.00 C ATOM 821 CG LYS A 88 4.262 -8.380 -8.937 1.00 0.00 C ATOM 822 CD LYS A 88 4.918 -9.687 -8.511 1.00 0.00 C ATOM 823 CE LYS A 88 3.901 -10.814 -8.395 1.00 0.00 C ATOM 824 NZ LYS A 88 4.551 -12.149 -8.254 1.00 0.00 N ATOM 0 H LYS A 88 4.839 -5.037 -9.534 1.00 0.00 H new ATOM 0 HA LYS A 88 2.566 -6.277 -8.100 1.00 0.00 H new ATOM 0 HB2 LYS A 88 5.502 -7.032 -7.827 1.00 0.00 H new ATOM 0 HB3 LYS A 88 4.170 -7.705 -6.907 1.00 0.00 H new ATOM 0 HG2 LYS A 88 3.199 -8.544 -9.111 1.00 0.00 H new ATOM 0 HG3 LYS A 88 4.692 -8.046 -9.881 1.00 0.00 H new ATOM 0 HD2 LYS A 88 5.685 -9.962 -9.234 1.00 0.00 H new ATOM 0 HD3 LYS A 88 5.418 -9.548 -7.553 1.00 0.00 H new ATOM 0 HE2 LYS A 88 3.257 -10.633 -7.534 1.00 0.00 H new ATOM 0 HE3 LYS A 88 3.261 -10.815 -9.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 3.820 -12.885 -8.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 5.145 -12.336 -9.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 5.142 -12.159 -7.398 1.00 0.00 H new ATOM 838 N ILE A 89 3.761 -5.372 -5.786 1.00 0.00 N ATOM 839 CA ILE A 89 4.009 -4.455 -4.674 1.00 0.00 C ATOM 840 C ILE A 89 5.487 -4.080 -4.601 1.00 0.00 C ATOM 841 O ILE A 89 5.850 -2.934 -4.850 1.00 0.00 O ATOM 842 CB ILE A 89 3.570 -5.051 -3.316 1.00 0.00 C ATOM 843 CG1 ILE A 89 2.064 -5.335 -3.303 1.00 0.00 C ATOM 844 CG2 ILE A 89 3.945 -4.115 -2.173 1.00 0.00 C ATOM 845 CD1 ILE A 89 1.197 -4.093 -3.352 1.00 0.00 C ATOM 0 H ILE A 89 3.469 -6.309 -5.507 1.00 0.00 H new ATOM 0 HA ILE A 89 3.411 -3.564 -4.866 1.00 0.00 H new ATOM 0 HB ILE A 89 4.095 -5.996 -3.177 1.00 0.00 H new ATOM 0 HG12 ILE A 89 1.818 -5.970 -4.154 1.00 0.00 H new ATOM 0 HG13 ILE A 89 1.820 -5.900 -2.403 1.00 0.00 H new ATOM 0 HG21 ILE A 89 3.628 -4.552 -1.226 1.00 0.00 H new ATOM 0 HG22 ILE A 89 5.025 -3.969 -2.162 1.00 0.00 H new ATOM 0 HG23 ILE A 89 3.451 -3.154 -2.313 1.00 0.00 H new ATOM 0 HD11 ILE A 89 0.146 -4.382 -3.339 1.00 0.00 H new ATOM 0 HD12 ILE A 89 1.411 -3.465 -2.487 1.00 0.00 H new ATOM 0 HD13 ILE A 89 1.409 -3.537 -4.265 1.00 0.00 H new ATOM 857 N THR A 90 6.325 -5.059 -4.251 1.00 0.00 N ATOM 858 CA THR A 90 7.777 -4.859 -4.128 1.00 0.00 C ATOM 859 C THR A 90 8.106 -3.828 -3.046 1.00 0.00 C ATOM 860 O THR A 90 7.315 -2.925 -2.765 1.00 0.00 O ATOM 861 CB THR A 90 8.407 -4.437 -5.470 1.00 0.00 C ATOM 862 OG1 THR A 90 8.282 -3.040 -5.684 1.00 0.00 O ATOM 863 CG2 THR A 90 7.810 -5.138 -6.671 1.00 0.00 C ATOM 0 H THR A 90 6.021 -6.010 -4.045 1.00 0.00 H new ATOM 0 HA THR A 90 8.206 -5.817 -3.836 1.00 0.00 H new ATOM 0 HB THR A 90 9.454 -4.728 -5.383 1.00 0.00 H new ATOM 0 HG1 THR A 90 7.449 -2.720 -5.279 1.00 0.00 H new ATOM 0 HG21 THR A 90 8.304 -4.790 -7.578 1.00 0.00 H new ATOM 0 HG22 THR A 90 7.951 -6.214 -6.571 1.00 0.00 H new ATOM 0 HG23 THR A 90 6.745 -4.916 -6.730 1.00 0.00 H new ATOM 871 N GLU A 91 9.280 -3.970 -2.440 1.00 0.00 N ATOM 872 CA GLU A 91 9.716 -3.054 -1.390 1.00 0.00 C ATOM 873 C GLU A 91 9.908 -1.631 -1.923 1.00 0.00 C ATOM 874 O GLU A 91 9.687 -0.662 -1.198 1.00 0.00 O ATOM 875 CB GLU A 91 11.012 -3.556 -0.743 1.00 0.00 C ATOM 876 CG GLU A 91 10.799 -4.183 0.629 1.00 0.00 C ATOM 877 CD GLU A 91 11.176 -3.255 1.770 1.00 0.00 C ATOM 878 OE1 GLU A 91 10.822 -2.056 1.710 1.00 0.00 O ATOM 879 OE2 GLU A 91 11.821 -3.728 2.728 1.00 0.00 O ATOM 0 H GLU A 91 9.947 -4.710 -2.657 1.00 0.00 H new ATOM 0 HA GLU A 91 8.930 -3.024 -0.635 1.00 0.00 H new ATOM 0 HB2 GLU A 91 11.478 -4.289 -1.401 1.00 0.00 H new ATOM 0 HB3 GLU A 91 11.709 -2.723 -0.650 1.00 0.00 H new ATOM 0 HG2 GLU A 91 9.753 -4.471 0.732 1.00 0.00 H new ATOM 0 HG3 GLU A 91 11.389 -5.096 0.701 1.00 0.00 H new ATOM 886 N ALA A 92 10.322 -1.505 -3.185 1.00 0.00 N ATOM 887 CA ALA A 92 10.542 -0.190 -3.789 1.00 0.00 C ATOM 888 C ALA A 92 9.229 0.562 -4.028 1.00 0.00 C ATOM 889 O ALA A 92 9.118 1.749 -3.710 1.00 0.00 O ATOM 890 CB ALA A 92 11.315 -0.330 -5.093 1.00 0.00 C ATOM 0 H ALA A 92 10.511 -2.292 -3.805 1.00 0.00 H new ATOM 0 HA ALA A 92 11.130 0.397 -3.083 1.00 0.00 H new ATOM 0 HB1 ALA A 92 11.471 0.656 -5.531 1.00 0.00 H new ATOM 0 HB2 ALA A 92 12.280 -0.796 -4.896 1.00 0.00 H new ATOM 0 HB3 ALA A 92 10.748 -0.950 -5.787 1.00 0.00 H new ATOM 896 N GLU A 93 8.238 -0.127 -4.591 1.00 0.00 N ATOM 897 CA GLU A 93 6.944 0.494 -4.878 1.00 0.00 C ATOM 898 C GLU A 93 6.118 0.693 -3.607 1.00 0.00 C ATOM 899 O GLU A 93 5.412 1.694 -3.476 1.00 0.00 O ATOM 900 CB GLU A 93 6.156 -0.341 -5.891 1.00 0.00 C ATOM 901 CG GLU A 93 5.531 0.481 -7.008 1.00 0.00 C ATOM 902 CD GLU A 93 5.533 -0.243 -8.341 1.00 0.00 C ATOM 903 OE1 GLU A 93 6.632 -0.510 -8.872 1.00 0.00 O ATOM 904 OE2 GLU A 93 4.434 -0.542 -8.856 1.00 0.00 O ATOM 0 H GLU A 93 8.304 -1.110 -4.857 1.00 0.00 H new ATOM 0 HA GLU A 93 7.144 1.476 -5.306 1.00 0.00 H new ATOM 0 HB2 GLU A 93 6.820 -1.086 -6.329 1.00 0.00 H new ATOM 0 HB3 GLU A 93 5.369 -0.883 -5.367 1.00 0.00 H new ATOM 0 HG2 GLU A 93 4.505 0.733 -6.738 1.00 0.00 H new ATOM 0 HG3 GLU A 93 6.074 1.421 -7.109 1.00 0.00 H new ATOM 911 N ILE A 94 6.204 -0.256 -2.673 1.00 0.00 N ATOM 912 CA ILE A 94 5.450 -0.160 -1.424 1.00 0.00 C ATOM 913 C ILE A 94 5.883 1.059 -0.608 1.00 0.00 C ATOM 914 O ILE A 94 5.039 1.781 -0.077 1.00 0.00 O ATOM 915 CB ILE A 94 5.577 -1.444 -0.569 1.00 0.00 C ATOM 916 CG1 ILE A 94 4.555 -1.425 0.569 1.00 0.00 C ATOM 917 CG2 ILE A 94 6.987 -1.605 -0.018 1.00 0.00 C ATOM 918 CD1 ILE A 94 4.132 -2.804 1.024 1.00 0.00 C ATOM 0 H ILE A 94 6.783 -1.092 -2.757 1.00 0.00 H new ATOM 0 HA ILE A 94 4.402 -0.043 -1.700 1.00 0.00 H new ATOM 0 HB ILE A 94 5.372 -2.300 -1.212 1.00 0.00 H new ATOM 0 HG12 ILE A 94 4.977 -0.885 1.417 1.00 0.00 H new ATOM 0 HG13 ILE A 94 3.673 -0.872 0.246 1.00 0.00 H new ATOM 0 HG21 ILE A 94 7.043 -2.516 0.578 1.00 0.00 H new ATOM 0 HG22 ILE A 94 7.695 -1.667 -0.844 1.00 0.00 H new ATOM 0 HG23 ILE A 94 7.233 -0.747 0.607 1.00 0.00 H new ATOM 0 HD11 ILE A 94 3.407 -2.714 1.833 1.00 0.00 H new ATOM 0 HD12 ILE A 94 3.680 -3.340 0.189 1.00 0.00 H new ATOM 0 HD13 ILE A 94 5.004 -3.354 1.379 1.00 0.00 H new ATOM 930 N VAL A 95 7.195 1.304 -0.530 1.00 0.00 N ATOM 931 CA VAL A 95 7.708 2.459 0.204 1.00 0.00 C ATOM 932 C VAL A 95 7.130 3.748 -0.378 1.00 0.00 C ATOM 933 O VAL A 95 6.727 4.648 0.362 1.00 0.00 O ATOM 934 CB VAL A 95 9.254 2.526 0.174 1.00 0.00 C ATOM 935 CG1 VAL A 95 9.755 3.797 0.849 1.00 0.00 C ATOM 936 CG2 VAL A 95 9.860 1.295 0.835 1.00 0.00 C ATOM 0 H VAL A 95 7.913 0.723 -0.962 1.00 0.00 H new ATOM 0 HA VAL A 95 7.398 2.348 1.243 1.00 0.00 H new ATOM 0 HB VAL A 95 9.571 2.546 -0.869 1.00 0.00 H new ATOM 0 HG11 VAL A 95 10.844 3.822 0.816 1.00 0.00 H new ATOM 0 HG12 VAL A 95 9.356 4.667 0.328 1.00 0.00 H new ATOM 0 HG13 VAL A 95 9.423 3.813 1.887 1.00 0.00 H new ATOM 0 HG21 VAL A 95 10.947 1.363 0.803 1.00 0.00 H new ATOM 0 HG22 VAL A 95 9.530 1.240 1.873 1.00 0.00 H new ATOM 0 HG23 VAL A 95 9.536 0.400 0.303 1.00 0.00 H new ATOM 946 N SER A 96 7.076 3.821 -1.710 1.00 0.00 N ATOM 947 CA SER A 96 6.528 4.991 -2.392 1.00 0.00 C ATOM 948 C SER A 96 5.045 5.162 -2.061 1.00 0.00 C ATOM 949 O SER A 96 4.591 6.274 -1.786 1.00 0.00 O ATOM 950 CB SER A 96 6.715 4.872 -3.907 1.00 0.00 C ATOM 951 OG SER A 96 7.963 4.279 -4.226 1.00 0.00 O ATOM 0 H SER A 96 7.405 3.085 -2.335 1.00 0.00 H new ATOM 0 HA SER A 96 7.070 5.870 -2.041 1.00 0.00 H new ATOM 0 HB2 SER A 96 5.907 4.275 -4.330 1.00 0.00 H new ATOM 0 HB3 SER A 96 6.652 5.860 -4.362 1.00 0.00 H new ATOM 0 HG SER A 96 8.055 4.214 -5.200 1.00 0.00 H new ATOM 957 N ILE A 97 4.297 4.054 -2.081 1.00 0.00 N ATOM 958 CA ILE A 97 2.867 4.092 -1.771 1.00 0.00 C ATOM 959 C ILE A 97 2.639 4.602 -0.350 1.00 0.00 C ATOM 960 O ILE A 97 1.815 5.489 -0.130 1.00 0.00 O ATOM 961 CB ILE A 97 2.194 2.706 -1.928 1.00 0.00 C ATOM 962 CG1 ILE A 97 2.407 2.159 -3.344 1.00 0.00 C ATOM 963 CG2 ILE A 97 0.703 2.800 -1.615 1.00 0.00 C ATOM 964 CD1 ILE A 97 2.488 0.649 -3.406 1.00 0.00 C ATOM 0 H ILE A 97 4.656 3.127 -2.307 1.00 0.00 H new ATOM 0 HA ILE A 97 2.410 4.774 -2.488 1.00 0.00 H new ATOM 0 HB ILE A 97 2.657 2.018 -1.220 1.00 0.00 H new ATOM 0 HG12 ILE A 97 1.590 2.497 -3.981 1.00 0.00 H new ATOM 0 HG13 ILE A 97 3.325 2.581 -3.753 1.00 0.00 H new ATOM 0 HG21 ILE A 97 0.244 1.818 -1.730 1.00 0.00 H new ATOM 0 HG22 ILE A 97 0.567 3.146 -0.590 1.00 0.00 H new ATOM 0 HG23 ILE A 97 0.231 3.503 -2.301 1.00 0.00 H new ATOM 0 HD11 ILE A 97 2.639 0.335 -4.439 1.00 0.00 H new ATOM 0 HD12 ILE A 97 3.323 0.304 -2.796 1.00 0.00 H new ATOM 0 HD13 ILE A 97 1.560 0.219 -3.028 1.00 0.00 H new ATOM 976 N LEU A 98 3.386 4.049 0.610 1.00 0.00 N ATOM 977 CA LEU A 98 3.271 4.465 2.008 1.00 0.00 C ATOM 978 C LEU A 98 3.537 5.965 2.144 1.00 0.00 C ATOM 979 O LEU A 98 2.850 6.661 2.892 1.00 0.00 O ATOM 980 CB LEU A 98 4.257 3.686 2.891 1.00 0.00 C ATOM 981 CG LEU A 98 3.737 2.364 3.468 1.00 0.00 C ATOM 982 CD1 LEU A 98 2.354 2.540 4.072 1.00 0.00 C ATOM 983 CD2 LEU A 98 3.724 1.282 2.400 1.00 0.00 C ATOM 0 H LEU A 98 4.074 3.315 0.444 1.00 0.00 H new ATOM 0 HA LEU A 98 2.255 4.250 2.339 1.00 0.00 H new ATOM 0 HB2 LEU A 98 5.153 3.478 2.306 1.00 0.00 H new ATOM 0 HB3 LEU A 98 4.559 4.328 3.719 1.00 0.00 H new ATOM 0 HG LEU A 98 4.414 2.053 4.264 1.00 0.00 H new ATOM 0 HD11 LEU A 98 2.009 1.588 4.474 1.00 0.00 H new ATOM 0 HD12 LEU A 98 2.398 3.277 4.873 1.00 0.00 H new ATOM 0 HD13 LEU A 98 1.662 2.881 3.302 1.00 0.00 H new ATOM 0 HD21 LEU A 98 3.352 0.352 2.829 1.00 0.00 H new ATOM 0 HD22 LEU A 98 3.075 1.588 1.580 1.00 0.00 H new ATOM 0 HD23 LEU A 98 4.736 1.129 2.025 1.00 0.00 H new ATOM 995 N ASN A 99 4.539 6.451 1.406 1.00 0.00 N ATOM 996 CA ASN A 99 4.902 7.867 1.431 1.00 0.00 C ATOM 997 C ASN A 99 3.792 8.730 0.832 1.00 0.00 C ATOM 998 O ASN A 99 3.536 9.840 1.305 1.00 0.00 O ATOM 999 CB ASN A 99 6.208 8.094 0.663 1.00 0.00 C ATOM 1000 CG ASN A 99 7.427 8.017 1.562 1.00 0.00 C ATOM 1001 OD1 ASN A 99 7.881 9.027 2.099 1.00 0.00 O ATOM 1002 ND2 ASN A 99 7.965 6.814 1.732 1.00 0.00 N ATOM 0 H ASN A 99 5.113 5.882 0.784 1.00 0.00 H new ATOM 0 HA ASN A 99 5.042 8.159 2.472 1.00 0.00 H new ATOM 0 HB2 ASN A 99 6.295 7.349 -0.128 1.00 0.00 H new ATOM 0 HB3 ASN A 99 6.177 9.070 0.180 1.00 0.00 H new ATOM 0 HD21 ASN A 99 8.786 6.702 2.327 1.00 0.00 H new ATOM 0 HD22 ASN A 99 7.557 6.003 1.268 1.00 0.00 H new ATOM 1009 N GLY A 100 3.124 8.207 -0.196 1.00 0.00 N ATOM 1010 CA GLY A 100 2.040 8.935 -0.828 1.00 0.00 C ATOM 1011 C GLY A 100 0.798 8.930 0.032 1.00 0.00 C ATOM 1012 O GLY A 100 0.130 9.953 0.181 1.00 0.00 O ATOM 0 H GLY A 100 3.317 7.291 -0.601 1.00 0.00 H new ATOM 0 HA2 GLY A 100 2.351 9.963 -1.015 1.00 0.00 H new ATOM 0 HA3 GLY A 100 1.816 8.488 -1.797 1.00 0.00 H new ATOM 1016 N ILE A 101 0.508 7.769 0.615 1.00 0.00 N ATOM 1017 CA ILE A 101 -0.642 7.603 1.492 1.00 0.00 C ATOM 1018 C ILE A 101 -0.584 8.598 2.655 1.00 0.00 C ATOM 1019 O ILE A 101 -1.598 9.194 3.025 1.00 0.00 O ATOM 1020 CB ILE A 101 -0.704 6.158 2.041 1.00 0.00 C ATOM 1021 CG1 ILE A 101 -1.112 5.182 0.933 1.00 0.00 C ATOM 1022 CG2 ILE A 101 -1.663 6.067 3.213 1.00 0.00 C ATOM 1023 CD1 ILE A 101 -0.935 3.725 1.308 1.00 0.00 C ATOM 0 H ILE A 101 1.063 6.922 0.492 1.00 0.00 H new ATOM 0 HA ILE A 101 -1.541 7.798 0.908 1.00 0.00 H new ATOM 0 HB ILE A 101 0.290 5.884 2.395 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -2.156 5.357 0.674 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -0.522 5.392 0.041 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -1.690 5.042 3.582 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -1.328 6.731 4.010 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -2.661 6.363 2.890 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -1.244 3.095 0.474 1.00 0.00 H new ATOM 0 HD12 ILE A 101 0.113 3.533 1.539 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -1.546 3.497 2.181 1.00 0.00 H new ATOM 1035 N ALA A 102 0.613 8.777 3.218 1.00 0.00 N ATOM 1036 CA ALA A 102 0.811 9.704 4.329 1.00 0.00 C ATOM 1037 C ALA A 102 0.596 11.149 3.881 1.00 0.00 C ATOM 1038 O ALA A 102 -0.093 11.917 4.553 1.00 0.00 O ATOM 1039 CB ALA A 102 2.202 9.532 4.925 1.00 0.00 C ATOM 0 H ALA A 102 1.459 8.291 2.921 1.00 0.00 H new ATOM 0 HA ALA A 102 0.073 9.474 5.097 1.00 0.00 H new ATOM 0 HB1 ALA A 102 2.333 10.230 5.752 1.00 0.00 H new ATOM 0 HB2 ALA A 102 2.318 8.512 5.290 1.00 0.00 H new ATOM 0 HB3 ALA A 102 2.953 9.731 4.160 1.00 0.00 H new ATOM 1045 N LYS A 103 1.183 11.513 2.737 1.00 0.00 N ATOM 1046 CA LYS A 103 1.045 12.868 2.200 1.00 0.00 C ATOM 1047 C LYS A 103 -0.410 13.161 1.819 1.00 0.00 C ATOM 1048 O LYS A 103 -0.859 14.304 1.908 1.00 0.00 O ATOM 1049 CB LYS A 103 1.960 13.065 0.984 1.00 0.00 C ATOM 1050 CG LYS A 103 2.284 14.526 0.691 1.00 0.00 C ATOM 1051 CD LYS A 103 3.767 14.733 0.414 1.00 0.00 C ATOM 1052 CE LYS A 103 4.053 14.835 -1.078 1.00 0.00 C ATOM 1053 NZ LYS A 103 4.723 16.120 -1.436 1.00 0.00 N ATOM 0 H LYS A 103 1.756 10.890 2.168 1.00 0.00 H new ATOM 0 HA LYS A 103 1.344 13.569 2.980 1.00 0.00 H new ATOM 0 HB2 LYS A 103 2.890 12.522 1.149 1.00 0.00 H new ATOM 0 HB3 LYS A 103 1.485 12.625 0.108 1.00 0.00 H new ATOM 0 HG2 LYS A 103 1.704 14.861 -0.169 1.00 0.00 H new ATOM 0 HG3 LYS A 103 1.983 15.142 1.539 1.00 0.00 H new ATOM 0 HD2 LYS A 103 4.107 15.641 0.912 1.00 0.00 H new ATOM 0 HD3 LYS A 103 4.335 13.905 0.838 1.00 0.00 H new ATOM 0 HE2 LYS A 103 4.684 14.000 -1.383 1.00 0.00 H new ATOM 0 HE3 LYS A 103 3.119 14.747 -1.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 4.899 16.146 -2.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 4.110 16.917 -1.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 5.627 16.193 -0.928 1.00 0.00 H new ATOM 1067 N GLN A 104 -1.140 12.124 1.397 1.00 0.00 N ATOM 1068 CA GLN A 104 -2.543 12.273 1.006 1.00 0.00 C ATOM 1069 C GLN A 104 -3.386 12.824 2.158 1.00 0.00 C ATOM 1070 O GLN A 104 -4.073 13.834 2.002 1.00 0.00 O ATOM 1071 CB GLN A 104 -3.118 10.930 0.541 1.00 0.00 C ATOM 1072 CG GLN A 104 -2.648 10.507 -0.844 1.00 0.00 C ATOM 1073 CD GLN A 104 -3.784 10.396 -1.843 1.00 0.00 C ATOM 1074 OE1 GLN A 104 -4.088 9.310 -2.337 1.00 0.00 O ATOM 1075 NE2 GLN A 104 -4.419 11.523 -2.149 1.00 0.00 N ATOM 0 H GLN A 104 -0.781 11.172 1.318 1.00 0.00 H new ATOM 0 HA GLN A 104 -2.580 12.984 0.181 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -2.841 10.159 1.260 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -4.206 10.991 0.542 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -1.917 11.228 -1.210 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -2.139 9.546 -0.772 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -4.135 12.402 -1.716 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -5.190 11.509 -2.816 1.00 0.00 H new