USER MOD reduce.3.24.130724 H: found=0, std=0, add=500, rem=0, adj=7 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= -4.69! C(o=-4.7!,f=-5.9!) USER MOD Set 1.2: A 84 ASN : amide:sc=-0.00237 X(o=-4.7,f=-4.7) USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 SER OG : rot 72:sc= 0.0141 USER MOD Single : A 70 GLN : amide:sc= -0.148 X(o=-0.15,f=-0.0073) USER MOD Single : A 74 THR OG1 : rot 85:sc= 0.57 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot 80:sc= 1.22 USER MOD Single : A 86 THR OG1 : rot -30:sc= 0.267 USER MOD Single : A 87 HIS : no HD1:sc= -0.682 K(o=-0.68,f=-2.2!) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 GLN : amide:sc= -0.871 K(o=-0.87,f=-3.1!) USER MOD ----------------------------------------------------------------- ATOM 117 N ILE A 46 -6.638 -9.165 -2.987 1.00 0.00 N ATOM 118 CA ILE A 46 -5.446 -8.315 -2.926 1.00 0.00 C ATOM 119 C ILE A 46 -4.233 -9.079 -2.387 1.00 0.00 C ATOM 120 O ILE A 46 -3.092 -8.728 -2.690 1.00 0.00 O ATOM 121 CB ILE A 46 -5.681 -7.048 -2.071 1.00 0.00 C ATOM 122 CG1 ILE A 46 -6.009 -7.414 -0.618 1.00 0.00 C ATOM 123 CG2 ILE A 46 -6.792 -6.200 -2.677 1.00 0.00 C ATOM 124 CD1 ILE A 46 -4.804 -7.382 0.299 1.00 0.00 C ATOM 0 HA ILE A 46 -5.240 -8.007 -3.951 1.00 0.00 H new ATOM 0 HB ILE A 46 -4.760 -6.465 -2.067 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -6.763 -6.724 -0.239 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -6.449 -8.411 -0.593 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -6.947 -5.312 -2.065 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -6.512 -5.901 -3.687 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -7.714 -6.780 -2.714 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -5.109 -7.651 1.310 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -4.058 -8.093 -0.056 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -4.377 -6.379 0.304 1.00 0.00 H new ATOM 136 N ALA A 47 -4.482 -10.125 -1.596 1.00 0.00 N ATOM 137 CA ALA A 47 -3.402 -10.934 -1.030 1.00 0.00 C ATOM 138 C ALA A 47 -2.601 -11.639 -2.127 1.00 0.00 C ATOM 139 O ALA A 47 -1.398 -11.857 -1.981 1.00 0.00 O ATOM 140 CB ALA A 47 -3.959 -11.953 -0.046 1.00 0.00 C ATOM 0 H ALA A 47 -5.419 -10.430 -1.334 1.00 0.00 H new ATOM 0 HA ALA A 47 -2.727 -10.263 -0.499 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -3.142 -12.546 0.365 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -4.474 -11.434 0.763 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -4.661 -12.610 -0.560 1.00 0.00 H new ATOM 146 N ASN A 48 -3.273 -11.985 -3.228 1.00 0.00 N ATOM 147 CA ASN A 48 -2.617 -12.656 -4.351 1.00 0.00 C ATOM 148 C ASN A 48 -1.897 -11.653 -5.258 1.00 0.00 C ATOM 149 O ASN A 48 -1.138 -12.046 -6.146 1.00 0.00 O ATOM 150 CB ASN A 48 -3.637 -13.455 -5.165 1.00 0.00 C ATOM 151 CG ASN A 48 -4.077 -14.722 -4.454 1.00 0.00 C ATOM 152 OD1 ASN A 48 -3.275 -15.626 -4.223 1.00 0.00 O ATOM 153 ND2 ASN A 48 -5.356 -14.794 -4.102 1.00 0.00 N ATOM 0 H ASN A 48 -4.269 -11.812 -3.365 1.00 0.00 H new ATOM 0 HA ASN A 48 -1.873 -13.338 -3.939 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -4.509 -12.831 -5.364 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -3.204 -13.715 -6.131 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -5.707 -15.622 -3.621 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -5.987 -14.021 -4.313 1.00 0.00 H new ATOM 160 N PHE A 49 -2.131 -10.358 -5.027 1.00 0.00 N ATOM 161 CA PHE A 49 -1.499 -9.309 -5.819 1.00 0.00 C ATOM 162 C PHE A 49 -0.246 -8.761 -5.121 1.00 0.00 C ATOM 163 O PHE A 49 0.097 -7.585 -5.274 1.00 0.00 O ATOM 164 CB PHE A 49 -2.501 -8.179 -6.074 1.00 0.00 C ATOM 165 CG PHE A 49 -2.809 -7.968 -7.530 1.00 0.00 C ATOM 166 CD1 PHE A 49 -3.827 -8.679 -8.148 1.00 0.00 C ATOM 167 CD2 PHE A 49 -2.081 -7.058 -8.280 1.00 0.00 C ATOM 168 CE1 PHE A 49 -4.110 -8.487 -9.487 1.00 0.00 C ATOM 169 CE2 PHE A 49 -2.360 -6.863 -9.619 1.00 0.00 C ATOM 170 CZ PHE A 49 -3.377 -7.577 -10.223 1.00 0.00 C ATOM 0 H PHE A 49 -2.755 -10.015 -4.296 1.00 0.00 H new ATOM 0 HA PHE A 49 -1.188 -9.739 -6.771 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -3.427 -8.399 -5.543 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -2.106 -7.253 -5.656 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -4.405 -9.390 -7.577 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -1.287 -6.495 -7.813 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -4.904 -9.048 -9.957 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -1.783 -6.153 -10.193 1.00 0.00 H new ATOM 0 HZ PHE A 49 -3.598 -7.424 -11.269 1.00 0.00 H new ATOM 180 N LEU A 50 0.439 -9.621 -4.363 1.00 0.00 N ATOM 181 CA LEU A 50 1.653 -9.228 -3.650 1.00 0.00 C ATOM 182 C LEU A 50 2.754 -10.272 -3.839 1.00 0.00 C ATOM 183 O LEU A 50 2.539 -11.301 -4.481 1.00 0.00 O ATOM 184 CB LEU A 50 1.357 -9.044 -2.155 1.00 0.00 C ATOM 185 CG LEU A 50 0.367 -7.926 -1.818 1.00 0.00 C ATOM 186 CD1 LEU A 50 -0.508 -8.323 -0.638 1.00 0.00 C ATOM 187 CD2 LEU A 50 1.106 -6.628 -1.523 1.00 0.00 C ATOM 0 H LEU A 50 0.171 -10.596 -4.228 1.00 0.00 H new ATOM 0 HA LEU A 50 1.999 -8.280 -4.063 1.00 0.00 H new ATOM 0 HB2 LEU A 50 0.968 -9.983 -1.760 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.295 -8.845 -1.637 1.00 0.00 H new ATOM 0 HG LEU A 50 -0.276 -7.766 -2.683 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -1.205 -7.515 -0.414 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -1.066 -9.226 -0.886 1.00 0.00 H new ATOM 0 HD13 LEU A 50 0.120 -8.513 0.233 1.00 0.00 H new ATOM 0 HD21 LEU A 50 0.386 -5.845 -1.286 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.775 -6.775 -0.675 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.687 -6.334 -2.397 1.00 0.00 H new ATOM 199 N GLU A 51 3.931 -10.001 -3.274 1.00 0.00 N ATOM 200 CA GLU A 51 5.064 -10.919 -3.374 1.00 0.00 C ATOM 201 C GLU A 51 5.338 -11.590 -2.029 1.00 0.00 C ATOM 202 O GLU A 51 5.061 -11.015 -0.976 1.00 0.00 O ATOM 203 CB GLU A 51 6.315 -10.173 -3.845 1.00 0.00 C ATOM 204 CG GLU A 51 6.206 -9.625 -5.260 1.00 0.00 C ATOM 205 CD GLU A 51 7.520 -9.680 -6.018 1.00 0.00 C ATOM 206 OE1 GLU A 51 8.564 -9.327 -5.429 1.00 0.00 O ATOM 207 OE2 GLU A 51 7.503 -10.075 -7.203 1.00 0.00 O ATOM 0 H GLU A 51 4.124 -9.152 -2.742 1.00 0.00 H new ATOM 0 HA GLU A 51 4.812 -11.689 -4.104 1.00 0.00 H new ATOM 0 HB2 GLU A 51 6.515 -9.349 -3.160 1.00 0.00 H new ATOM 0 HB3 GLU A 51 7.170 -10.846 -3.791 1.00 0.00 H new ATOM 0 HG2 GLU A 51 5.453 -10.192 -5.807 1.00 0.00 H new ATOM 0 HG3 GLU A 51 5.859 -8.592 -5.219 1.00 0.00 H new ATOM 214 N PRO A 52 5.894 -12.818 -2.044 1.00 0.00 N ATOM 215 CA PRO A 52 6.207 -13.562 -0.815 1.00 0.00 C ATOM 216 C PRO A 52 7.219 -12.829 0.066 1.00 0.00 C ATOM 217 O PRO A 52 7.041 -12.730 1.280 1.00 0.00 O ATOM 218 CB PRO A 52 6.794 -14.885 -1.325 1.00 0.00 C ATOM 219 CG PRO A 52 7.213 -14.614 -2.730 1.00 0.00 C ATOM 220 CD PRO A 52 6.261 -13.577 -3.253 1.00 0.00 C ATOM 0 HA PRO A 52 5.325 -13.693 -0.187 1.00 0.00 H new ATOM 0 HB2 PRO A 52 7.641 -15.200 -0.716 1.00 0.00 H new ATOM 0 HB3 PRO A 52 6.055 -15.685 -1.282 1.00 0.00 H new ATOM 0 HG2 PRO A 52 8.241 -14.254 -2.768 1.00 0.00 H new ATOM 0 HG3 PRO A 52 7.170 -15.522 -3.332 1.00 0.00 H new ATOM 0 HD2 PRO A 52 6.731 -12.939 -4.002 1.00 0.00 H new ATOM 0 HD3 PRO A 52 5.389 -14.031 -3.724 1.00 0.00 H new ATOM 228 N GLN A 53 8.279 -12.309 -0.557 1.00 0.00 N ATOM 229 CA GLN A 53 9.316 -11.577 0.167 1.00 0.00 C ATOM 230 C GLN A 53 8.782 -10.235 0.669 1.00 0.00 C ATOM 231 O GLN A 53 9.051 -9.836 1.803 1.00 0.00 O ATOM 232 CB GLN A 53 10.544 -11.359 -0.723 1.00 0.00 C ATOM 233 CG GLN A 53 10.996 -12.614 -1.454 1.00 0.00 C ATOM 234 CD GLN A 53 12.409 -12.501 -1.993 1.00 0.00 C ATOM 235 OE1 GLN A 53 12.716 -11.605 -2.779 1.00 0.00 O ATOM 236 NE2 GLN A 53 13.280 -13.413 -1.573 1.00 0.00 N ATOM 0 H GLN A 53 8.440 -12.382 -1.562 1.00 0.00 H new ATOM 0 HA GLN A 53 9.613 -12.175 1.029 1.00 0.00 H new ATOM 0 HB2 GLN A 53 10.319 -10.583 -1.455 1.00 0.00 H new ATOM 0 HB3 GLN A 53 11.366 -10.990 -0.110 1.00 0.00 H new ATOM 0 HG2 GLN A 53 10.937 -13.465 -0.776 1.00 0.00 H new ATOM 0 HG3 GLN A 53 10.312 -12.815 -2.279 1.00 0.00 H new ATOM 0 HE21 GLN A 53 12.984 -14.139 -0.921 1.00 0.00 H new ATOM 0 HE22 GLN A 53 14.245 -13.387 -1.903 1.00 0.00 H new ATOM 245 N ALA A 54 8.017 -9.549 -0.182 1.00 0.00 N ATOM 246 CA ALA A 54 7.437 -8.256 0.175 1.00 0.00 C ATOM 247 C ALA A 54 6.418 -8.396 1.308 1.00 0.00 C ATOM 248 O ALA A 54 6.340 -7.537 2.188 1.00 0.00 O ATOM 249 CB ALA A 54 6.789 -7.609 -1.042 1.00 0.00 C ATOM 0 H ALA A 54 7.786 -9.868 -1.123 1.00 0.00 H new ATOM 0 HA ALA A 54 8.245 -7.615 0.527 1.00 0.00 H new ATOM 0 HB1 ALA A 54 6.362 -6.647 -0.759 1.00 0.00 H new ATOM 0 HB2 ALA A 54 7.540 -7.458 -1.817 1.00 0.00 H new ATOM 0 HB3 ALA A 54 6.000 -8.258 -1.422 1.00 0.00 H new ATOM 255 N LEU A 55 5.641 -9.483 1.283 1.00 0.00 N ATOM 256 CA LEU A 55 4.628 -9.731 2.313 1.00 0.00 C ATOM 257 C LEU A 55 5.269 -9.817 3.698 1.00 0.00 C ATOM 258 O LEU A 55 4.775 -9.218 4.655 1.00 0.00 O ATOM 259 CB LEU A 55 3.862 -11.025 2.016 1.00 0.00 C ATOM 260 CG LEU A 55 2.366 -10.846 1.740 1.00 0.00 C ATOM 261 CD1 LEU A 55 1.818 -12.046 0.982 1.00 0.00 C ATOM 262 CD2 LEU A 55 1.603 -10.639 3.043 1.00 0.00 C ATOM 0 H LEU A 55 5.694 -10.203 0.563 1.00 0.00 H new ATOM 0 HA LEU A 55 3.929 -8.894 2.302 1.00 0.00 H new ATOM 0 HB2 LEU A 55 4.319 -11.510 1.153 1.00 0.00 H new ATOM 0 HB3 LEU A 55 3.981 -11.702 2.862 1.00 0.00 H new ATOM 0 HG LEU A 55 2.232 -9.959 1.121 1.00 0.00 H new ATOM 0 HD11 LEU A 55 0.754 -11.903 0.794 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.344 -12.148 0.033 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.963 -12.949 1.576 1.00 0.00 H new ATOM 0 HD21 LEU A 55 0.542 -10.514 2.827 1.00 0.00 H new ATOM 0 HD22 LEU A 55 1.742 -11.507 3.688 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.978 -9.748 3.547 1.00 0.00 H new ATOM 274 N GLU A 56 6.372 -10.559 3.795 1.00 0.00 N ATOM 275 CA GLU A 56 7.087 -10.716 5.061 1.00 0.00 C ATOM 276 C GLU A 56 7.560 -9.360 5.587 1.00 0.00 C ATOM 277 O GLU A 56 7.498 -9.094 6.790 1.00 0.00 O ATOM 278 CB GLU A 56 8.282 -11.658 4.886 1.00 0.00 C ATOM 279 CG GLU A 56 8.250 -12.862 5.818 1.00 0.00 C ATOM 280 CD GLU A 56 9.071 -14.035 5.311 1.00 0.00 C ATOM 281 OE1 GLU A 56 10.140 -13.803 4.704 1.00 0.00 O ATOM 282 OE2 GLU A 56 8.646 -15.190 5.524 1.00 0.00 O ATOM 0 H GLU A 56 6.790 -11.061 3.012 1.00 0.00 H new ATOM 0 HA GLU A 56 6.400 -11.149 5.788 1.00 0.00 H new ATOM 0 HB2 GLU A 56 8.310 -12.008 3.854 1.00 0.00 H new ATOM 0 HB3 GLU A 56 9.202 -11.100 5.058 1.00 0.00 H new ATOM 0 HG2 GLU A 56 8.622 -12.564 6.798 1.00 0.00 H new ATOM 0 HG3 GLU A 56 7.217 -13.182 5.952 1.00 0.00 H new ATOM 289 N ARG A 57 8.025 -8.503 4.675 1.00 0.00 N ATOM 290 CA ARG A 57 8.503 -7.171 5.037 1.00 0.00 C ATOM 291 C ARG A 57 7.378 -6.337 5.652 1.00 0.00 C ATOM 292 O ARG A 57 7.572 -5.681 6.677 1.00 0.00 O ATOM 293 CB ARG A 57 9.070 -6.460 3.804 1.00 0.00 C ATOM 294 CG ARG A 57 9.854 -5.199 4.128 1.00 0.00 C ATOM 295 CD ARG A 57 8.942 -3.989 4.253 1.00 0.00 C ATOM 296 NE ARG A 57 9.233 -3.203 5.452 1.00 0.00 N ATOM 297 CZ ARG A 57 10.213 -2.297 5.533 1.00 0.00 C ATOM 298 NH1 ARG A 57 11.009 -2.066 4.491 1.00 0.00 N ATOM 299 NH2 ARG A 57 10.401 -1.623 6.664 1.00 0.00 N ATOM 0 H ARG A 57 8.080 -8.711 3.678 1.00 0.00 H new ATOM 0 HA ARG A 57 9.293 -7.282 5.779 1.00 0.00 H new ATOM 0 HB2 ARG A 57 9.718 -7.151 3.264 1.00 0.00 H new ATOM 0 HB3 ARG A 57 8.249 -6.204 3.134 1.00 0.00 H new ATOM 0 HG2 ARG A 57 10.402 -5.340 5.060 1.00 0.00 H new ATOM 0 HG3 ARG A 57 10.593 -5.019 3.347 1.00 0.00 H new ATOM 0 HD2 ARG A 57 9.054 -3.359 3.371 1.00 0.00 H new ATOM 0 HD3 ARG A 57 7.904 -4.319 4.280 1.00 0.00 H new ATOM 0 HE ARG A 57 8.653 -3.355 6.277 1.00 0.00 H new ATOM 0 HH11 ARG A 57 10.874 -2.582 3.622 1.00 0.00 H new ATOM 0 HH12 ARG A 57 11.754 -1.373 4.562 1.00 0.00 H new ATOM 0 HH21 ARG A 57 9.798 -1.798 7.468 1.00 0.00 H new ATOM 0 HH22 ARG A 57 11.148 -0.932 6.727 1.00 0.00 H new ATOM 313 N LEU A 58 6.203 -6.370 5.019 1.00 0.00 N ATOM 314 CA LEU A 58 5.044 -5.619 5.504 1.00 0.00 C ATOM 315 C LEU A 58 4.677 -6.036 6.930 1.00 0.00 C ATOM 316 O LEU A 58 4.283 -5.202 7.746 1.00 0.00 O ATOM 317 CB LEU A 58 3.845 -5.830 4.574 1.00 0.00 C ATOM 318 CG LEU A 58 2.592 -5.026 4.936 1.00 0.00 C ATOM 319 CD1 LEU A 58 2.776 -3.557 4.583 1.00 0.00 C ATOM 320 CD2 LEU A 58 1.368 -5.597 4.234 1.00 0.00 C ATOM 0 H LEU A 58 6.030 -6.908 4.170 1.00 0.00 H new ATOM 0 HA LEU A 58 5.308 -4.562 5.512 1.00 0.00 H new ATOM 0 HB2 LEU A 58 4.143 -5.571 3.558 1.00 0.00 H new ATOM 0 HB3 LEU A 58 3.589 -6.890 4.571 1.00 0.00 H new ATOM 0 HG LEU A 58 2.436 -5.102 6.012 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.875 -3.004 4.848 1.00 0.00 H new ATOM 0 HD12 LEU A 58 3.625 -3.154 5.135 1.00 0.00 H new ATOM 0 HD13 LEU A 58 2.960 -3.460 3.513 1.00 0.00 H new ATOM 0 HD21 LEU A 58 0.488 -5.013 4.504 1.00 0.00 H new ATOM 0 HD22 LEU A 58 1.515 -5.555 3.155 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.223 -6.633 4.540 1.00 0.00 H new ATOM 332 N SER A 59 4.815 -7.329 7.224 1.00 0.00 N ATOM 333 CA SER A 59 4.505 -7.853 8.553 1.00 0.00 C ATOM 334 C SER A 59 5.456 -7.273 9.602 1.00 0.00 C ATOM 335 O SER A 59 5.041 -6.951 10.716 1.00 0.00 O ATOM 336 CB SER A 59 4.585 -9.382 8.558 1.00 0.00 C ATOM 337 OG SER A 59 3.632 -9.948 7.672 1.00 0.00 O ATOM 0 H SER A 59 5.139 -8.032 6.560 1.00 0.00 H new ATOM 0 HA SER A 59 3.488 -7.553 8.806 1.00 0.00 H new ATOM 0 HB2 SER A 59 5.587 -9.697 8.268 1.00 0.00 H new ATOM 0 HB3 SER A 59 4.413 -9.755 9.568 1.00 0.00 H new ATOM 0 HG SER A 59 3.909 -9.785 6.746 1.00 0.00 H new ATOM 343 N ARG A 60 6.735 -7.143 9.236 1.00 0.00 N ATOM 344 CA ARG A 60 7.744 -6.596 10.142 1.00 0.00 C ATOM 345 C ARG A 60 7.483 -5.116 10.436 1.00 0.00 C ATOM 346 O ARG A 60 7.546 -4.688 11.588 1.00 0.00 O ATOM 347 CB ARG A 60 9.152 -6.782 9.560 1.00 0.00 C ATOM 348 CG ARG A 60 10.265 -6.301 10.482 1.00 0.00 C ATOM 349 CD ARG A 60 11.452 -7.254 10.476 1.00 0.00 C ATOM 350 NE ARG A 60 12.503 -6.831 11.404 1.00 0.00 N ATOM 351 CZ ARG A 60 13.760 -7.280 11.368 1.00 0.00 C ATOM 352 NH1 ARG A 60 14.135 -8.172 10.454 1.00 0.00 N ATOM 353 NH2 ARG A 60 14.648 -6.836 12.252 1.00 0.00 N ATOM 0 H ARG A 60 7.094 -7.409 8.319 1.00 0.00 H new ATOM 0 HA ARG A 60 7.678 -7.145 11.081 1.00 0.00 H new ATOM 0 HB2 ARG A 60 9.307 -7.838 9.338 1.00 0.00 H new ATOM 0 HB3 ARG A 60 9.218 -6.244 8.614 1.00 0.00 H new ATOM 0 HG2 ARG A 60 10.593 -5.309 10.170 1.00 0.00 H new ATOM 0 HG3 ARG A 60 9.880 -6.205 11.497 1.00 0.00 H new ATOM 0 HD2 ARG A 60 11.114 -8.255 10.744 1.00 0.00 H new ATOM 0 HD3 ARG A 60 11.862 -7.315 9.468 1.00 0.00 H new ATOM 0 HE ARG A 60 12.259 -6.150 12.123 1.00 0.00 H new ATOM 0 HH11 ARG A 60 13.460 -8.519 9.773 1.00 0.00 H new ATOM 0 HH12 ARG A 60 15.098 -8.509 10.435 1.00 0.00 H new ATOM 0 HH21 ARG A 60 14.369 -6.153 12.957 1.00 0.00 H new ATOM 0 HH22 ARG A 60 15.609 -7.178 12.226 1.00 0.00 H new ATOM 367 N VAL A 61 7.187 -4.339 9.390 1.00 0.00 N ATOM 368 CA VAL A 61 6.916 -2.910 9.553 1.00 0.00 C ATOM 369 C VAL A 61 5.627 -2.679 10.349 1.00 0.00 C ATOM 370 O VAL A 61 5.570 -1.785 11.194 1.00 0.00 O ATOM 371 CB VAL A 61 6.849 -2.161 8.196 1.00 0.00 C ATOM 372 CG1 VAL A 61 5.746 -2.710 7.305 1.00 0.00 C ATOM 373 CG2 VAL A 61 6.671 -0.664 8.416 1.00 0.00 C ATOM 0 H VAL A 61 7.129 -4.674 8.428 1.00 0.00 H new ATOM 0 HA VAL A 61 7.755 -2.498 10.113 1.00 0.00 H new ATOM 0 HB VAL A 61 7.796 -2.325 7.683 1.00 0.00 H new ATOM 0 HG11 VAL A 61 5.731 -2.160 6.364 1.00 0.00 H new ATOM 0 HG12 VAL A 61 5.931 -3.765 7.105 1.00 0.00 H new ATOM 0 HG13 VAL A 61 4.784 -2.599 7.806 1.00 0.00 H new ATOM 0 HG21 VAL A 61 6.626 -0.157 7.452 1.00 0.00 H new ATOM 0 HG22 VAL A 61 5.746 -0.484 8.964 1.00 0.00 H new ATOM 0 HG23 VAL A 61 7.513 -0.278 8.990 1.00 0.00 H new ATOM 383 N ALA A 62 4.599 -3.491 10.079 1.00 0.00 N ATOM 384 CA ALA A 62 3.316 -3.374 10.780 1.00 0.00 C ATOM 385 C ALA A 62 3.481 -3.552 12.290 1.00 0.00 C ATOM 386 O ALA A 62 2.734 -2.962 13.073 1.00 0.00 O ATOM 387 CB ALA A 62 2.316 -4.392 10.247 1.00 0.00 C ATOM 0 H ALA A 62 4.630 -4.235 9.382 1.00 0.00 H new ATOM 0 HA ALA A 62 2.937 -2.369 10.595 1.00 0.00 H new ATOM 0 HB1 ALA A 62 1.371 -4.288 10.781 1.00 0.00 H new ATOM 0 HB2 ALA A 62 2.153 -4.219 9.183 1.00 0.00 H new ATOM 0 HB3 ALA A 62 2.707 -5.398 10.395 1.00 0.00 H new ATOM 393 N LEU A 63 4.459 -4.366 12.695 1.00 0.00 N ATOM 394 CA LEU A 63 4.714 -4.614 14.114 1.00 0.00 C ATOM 395 C LEU A 63 5.120 -3.327 14.826 1.00 0.00 C ATOM 396 O LEU A 63 4.724 -3.087 15.967 1.00 0.00 O ATOM 397 CB LEU A 63 5.813 -5.667 14.292 1.00 0.00 C ATOM 398 CG LEU A 63 5.405 -7.104 13.952 1.00 0.00 C ATOM 399 CD1 LEU A 63 6.633 -7.996 13.836 1.00 0.00 C ATOM 400 CD2 LEU A 63 4.443 -7.650 14.999 1.00 0.00 C ATOM 0 H LEU A 63 5.085 -4.863 12.061 1.00 0.00 H new ATOM 0 HA LEU A 63 3.790 -4.986 14.556 1.00 0.00 H new ATOM 0 HB2 LEU A 63 6.662 -5.391 13.667 1.00 0.00 H new ATOM 0 HB3 LEU A 63 6.156 -5.639 15.326 1.00 0.00 H new ATOM 0 HG LEU A 63 4.895 -7.096 12.989 1.00 0.00 H new ATOM 0 HD11 LEU A 63 6.323 -9.013 13.594 1.00 0.00 H new ATOM 0 HD12 LEU A 63 7.284 -7.618 13.048 1.00 0.00 H new ATOM 0 HD13 LEU A 63 7.173 -7.997 14.783 1.00 0.00 H new ATOM 0 HD21 LEU A 63 4.165 -8.672 14.740 1.00 0.00 H new ATOM 0 HD22 LEU A 63 4.926 -7.642 15.976 1.00 0.00 H new ATOM 0 HD23 LEU A 63 3.549 -7.028 15.031 1.00 0.00 H new ATOM 412 N VAL A 64 5.914 -2.506 14.145 1.00 0.00 N ATOM 413 CA VAL A 64 6.377 -1.245 14.711 1.00 0.00 C ATOM 414 C VAL A 64 5.390 -0.116 14.415 1.00 0.00 C ATOM 415 O VAL A 64 4.983 0.614 15.319 1.00 0.00 O ATOM 416 CB VAL A 64 7.775 -0.849 14.184 1.00 0.00 C ATOM 417 CG1 VAL A 64 8.584 -0.197 15.291 1.00 0.00 C ATOM 418 CG2 VAL A 64 8.521 -2.053 13.617 1.00 0.00 C ATOM 0 H VAL A 64 6.250 -2.692 13.200 1.00 0.00 H new ATOM 0 HA VAL A 64 6.446 -1.396 15.788 1.00 0.00 H new ATOM 0 HB VAL A 64 7.639 -0.134 13.373 1.00 0.00 H new ATOM 0 HG11 VAL A 64 9.567 0.078 14.909 1.00 0.00 H new ATOM 0 HG12 VAL A 64 8.067 0.697 15.641 1.00 0.00 H new ATOM 0 HG13 VAL A 64 8.699 -0.897 16.118 1.00 0.00 H new ATOM 0 HG21 VAL A 64 9.500 -1.737 13.256 1.00 0.00 H new ATOM 0 HG22 VAL A 64 8.647 -2.804 14.397 1.00 0.00 H new ATOM 0 HG23 VAL A 64 7.950 -2.479 12.792 1.00 0.00 H new ATOM 428 N ARG A 65 5.007 0.018 13.145 1.00 0.00 N ATOM 429 CA ARG A 65 4.065 1.054 12.731 1.00 0.00 C ATOM 430 C ARG A 65 2.956 0.461 11.865 1.00 0.00 C ATOM 431 O ARG A 65 3.088 0.370 10.643 1.00 0.00 O ATOM 432 CB ARG A 65 4.794 2.168 11.971 1.00 0.00 C ATOM 433 CG ARG A 65 5.657 3.045 12.864 1.00 0.00 C ATOM 434 CD ARG A 65 4.881 4.241 13.392 1.00 0.00 C ATOM 435 NE ARG A 65 5.438 4.744 14.647 1.00 0.00 N ATOM 436 CZ ARG A 65 5.138 4.249 15.852 1.00 0.00 C ATOM 437 NH1 ARG A 65 4.290 3.229 15.973 1.00 0.00 N ATOM 438 NH2 ARG A 65 5.691 4.773 16.940 1.00 0.00 N ATOM 0 H ARG A 65 5.336 -0.579 12.386 1.00 0.00 H new ATOM 0 HA ARG A 65 3.612 1.480 13.626 1.00 0.00 H new ATOM 0 HB2 ARG A 65 5.420 1.721 11.199 1.00 0.00 H new ATOM 0 HB3 ARG A 65 4.059 2.792 11.463 1.00 0.00 H new ATOM 0 HG2 ARG A 65 6.032 2.456 13.701 1.00 0.00 H new ATOM 0 HG3 ARG A 65 6.525 3.392 12.304 1.00 0.00 H new ATOM 0 HD2 ARG A 65 4.890 5.036 12.647 1.00 0.00 H new ATOM 0 HD3 ARG A 65 3.839 3.959 13.545 1.00 0.00 H new ATOM 0 HE ARG A 65 6.097 5.521 14.600 1.00 0.00 H new ATOM 0 HH11 ARG A 65 3.864 2.819 15.142 1.00 0.00 H new ATOM 0 HH12 ARG A 65 4.067 2.858 16.897 1.00 0.00 H new ATOM 0 HH21 ARG A 65 6.344 5.552 16.856 1.00 0.00 H new ATOM 0 HH22 ARG A 65 5.463 4.396 17.860 1.00 0.00 H new ATOM 452 N ARG A 66 1.860 0.058 12.510 1.00 0.00 N ATOM 453 CA ARG A 66 0.722 -0.527 11.802 1.00 0.00 C ATOM 454 C ARG A 66 0.141 0.454 10.782 1.00 0.00 C ATOM 455 O ARG A 66 -0.357 0.043 9.736 1.00 0.00 O ATOM 456 CB ARG A 66 -0.366 -0.972 12.788 1.00 0.00 C ATOM 457 CG ARG A 66 -0.814 0.114 13.757 1.00 0.00 C ATOM 458 CD ARG A 66 -0.396 -0.205 15.184 1.00 0.00 C ATOM 459 NE ARG A 66 -1.001 0.709 16.152 1.00 0.00 N ATOM 460 CZ ARG A 66 -0.551 1.943 16.398 1.00 0.00 C ATOM 461 NH1 ARG A 66 0.499 2.424 15.735 1.00 0.00 N ATOM 462 NH2 ARG A 66 -1.157 2.698 17.308 1.00 0.00 N ATOM 0 H ARG A 66 1.737 0.126 13.520 1.00 0.00 H new ATOM 0 HA ARG A 66 1.085 -1.404 11.265 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -1.232 -1.319 12.224 1.00 0.00 H new ATOM 0 HB3 ARG A 66 0.004 -1.823 13.360 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -0.386 1.070 13.457 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -1.898 0.221 13.710 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -0.682 -1.229 15.425 1.00 0.00 H new ATOM 0 HD3 ARG A 66 0.690 -0.150 15.264 1.00 0.00 H new ATOM 0 HE ARG A 66 -1.817 0.385 16.671 1.00 0.00 H new ATOM 0 HH11 ARG A 66 0.966 1.849 15.033 1.00 0.00 H new ATOM 0 HH12 ARG A 66 0.836 3.367 15.929 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -1.963 2.335 17.817 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -0.816 3.640 17.498 1.00 0.00 H new ATOM 476 N ASP A 67 0.212 1.751 11.095 1.00 0.00 N ATOM 477 CA ASP A 67 -0.304 2.790 10.204 1.00 0.00 C ATOM 478 C ASP A 67 0.323 2.686 8.813 1.00 0.00 C ATOM 479 O ASP A 67 -0.375 2.765 7.801 1.00 0.00 O ATOM 480 CB ASP A 67 -0.034 4.179 10.794 1.00 0.00 C ATOM 481 CG ASP A 67 -1.254 5.078 10.744 1.00 0.00 C ATOM 482 OD1 ASP A 67 -2.173 4.876 11.565 1.00 0.00 O ATOM 483 OD2 ASP A 67 -1.289 5.985 9.886 1.00 0.00 O ATOM 0 H ASP A 67 0.622 2.105 11.959 1.00 0.00 H new ATOM 0 HA ASP A 67 -1.380 2.644 10.107 1.00 0.00 H new ATOM 0 HB2 ASP A 67 0.293 4.074 11.828 1.00 0.00 H new ATOM 0 HB3 ASP A 67 0.783 4.650 10.247 1.00 0.00 H new ATOM 488 N ARG A 68 1.643 2.506 8.771 1.00 0.00 N ATOM 489 CA ARG A 68 2.365 2.389 7.506 1.00 0.00 C ATOM 490 C ARG A 68 1.937 1.136 6.743 1.00 0.00 C ATOM 491 O ARG A 68 1.630 1.201 5.553 1.00 0.00 O ATOM 492 CB ARG A 68 3.875 2.360 7.755 1.00 0.00 C ATOM 493 CG ARG A 68 4.527 3.732 7.700 1.00 0.00 C ATOM 494 CD ARG A 68 5.698 3.837 8.664 1.00 0.00 C ATOM 495 NE ARG A 68 5.532 4.941 9.610 1.00 0.00 N ATOM 496 CZ ARG A 68 6.528 5.469 10.324 1.00 0.00 C ATOM 497 NH1 ARG A 68 7.764 4.987 10.220 1.00 0.00 N ATOM 498 NH2 ARG A 68 6.287 6.482 11.150 1.00 0.00 N ATOM 0 H ARG A 68 2.234 2.438 9.600 1.00 0.00 H new ATOM 0 HA ARG A 68 2.121 3.260 6.898 1.00 0.00 H new ATOM 0 HB2 ARG A 68 4.065 1.915 8.732 1.00 0.00 H new ATOM 0 HB3 ARG A 68 4.345 1.714 7.014 1.00 0.00 H new ATOM 0 HG2 ARG A 68 4.872 3.931 6.685 1.00 0.00 H new ATOM 0 HG3 ARG A 68 3.788 4.496 7.941 1.00 0.00 H new ATOM 0 HD2 ARG A 68 5.800 2.901 9.213 1.00 0.00 H new ATOM 0 HD3 ARG A 68 6.620 3.978 8.100 1.00 0.00 H new ATOM 0 HE ARG A 68 4.597 5.331 9.731 1.00 0.00 H new ATOM 0 HH11 ARG A 68 7.956 4.208 9.591 1.00 0.00 H new ATOM 0 HH12 ARG A 68 8.519 5.397 10.770 1.00 0.00 H new ATOM 0 HH21 ARG A 68 5.342 6.855 11.238 1.00 0.00 H new ATOM 0 HH22 ARG A 68 7.047 6.887 11.696 1.00 0.00 H new ATOM 512 N ALA A 69 1.917 -0.001 7.438 1.00 0.00 N ATOM 513 CA ALA A 69 1.524 -1.271 6.828 1.00 0.00 C ATOM 514 C ALA A 69 0.072 -1.238 6.358 1.00 0.00 C ATOM 515 O ALA A 69 -0.270 -1.836 5.335 1.00 0.00 O ATOM 516 CB ALA A 69 1.735 -2.415 7.805 1.00 0.00 C ATOM 0 H ALA A 69 2.168 -0.069 8.424 1.00 0.00 H new ATOM 0 HA ALA A 69 2.156 -1.430 5.954 1.00 0.00 H new ATOM 0 HB1 ALA A 69 1.438 -3.353 7.336 1.00 0.00 H new ATOM 0 HB2 ALA A 69 2.788 -2.466 8.084 1.00 0.00 H new ATOM 0 HB3 ALA A 69 1.131 -2.248 8.697 1.00 0.00 H new ATOM 522 N GLN A 70 -0.776 -0.534 7.108 1.00 0.00 N ATOM 523 CA GLN A 70 -2.192 -0.416 6.770 1.00 0.00 C ATOM 524 C GLN A 70 -2.367 0.276 5.423 1.00 0.00 C ATOM 525 O GLN A 70 -3.203 -0.124 4.612 1.00 0.00 O ATOM 526 CB GLN A 70 -2.939 0.368 7.854 1.00 0.00 C ATOM 527 CG GLN A 70 -4.337 -0.162 8.133 1.00 0.00 C ATOM 528 CD GLN A 70 -5.394 0.926 8.107 1.00 0.00 C ATOM 529 OE1 GLN A 70 -6.149 1.095 9.064 1.00 0.00 O ATOM 530 NE2 GLN A 70 -5.455 1.670 7.007 1.00 0.00 N ATOM 0 H GLN A 70 -0.505 -0.036 7.956 1.00 0.00 H new ATOM 0 HA GLN A 70 -2.609 -1.421 6.707 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -2.358 0.341 8.776 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -3.009 1.413 7.552 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -4.587 -0.923 7.393 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -4.348 -0.650 9.108 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -4.809 1.496 6.237 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -6.147 2.415 6.933 1.00 0.00 H new ATOM 539 N ALA A 71 -1.568 1.316 5.195 1.00 0.00 N ATOM 540 CA ALA A 71 -1.623 2.070 3.949 1.00 0.00 C ATOM 541 C ALA A 71 -1.160 1.222 2.766 1.00 0.00 C ATOM 542 O ALA A 71 -1.684 1.360 1.663 1.00 0.00 O ATOM 543 CB ALA A 71 -0.788 3.337 4.061 1.00 0.00 C ATOM 0 H ALA A 71 -0.873 1.655 5.860 1.00 0.00 H new ATOM 0 HA ALA A 71 -2.661 2.350 3.769 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -0.838 3.890 3.123 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -1.175 3.957 4.869 1.00 0.00 H new ATOM 0 HB3 ALA A 71 0.248 3.072 4.271 1.00 0.00 H new ATOM 549 N VAL A 72 -0.183 0.341 2.998 1.00 0.00 N ATOM 550 CA VAL A 72 0.325 -0.522 1.931 1.00 0.00 C ATOM 551 C VAL A 72 -0.757 -1.488 1.449 1.00 0.00 C ATOM 552 O VAL A 72 -0.985 -1.625 0.247 1.00 0.00 O ATOM 553 CB VAL A 72 1.562 -1.340 2.372 1.00 0.00 C ATOM 554 CG1 VAL A 72 2.147 -2.095 1.185 1.00 0.00 C ATOM 555 CG2 VAL A 72 2.615 -0.444 3.010 1.00 0.00 C ATOM 0 H VAL A 72 0.267 0.208 3.904 1.00 0.00 H new ATOM 0 HA VAL A 72 0.622 0.142 1.119 1.00 0.00 H new ATOM 0 HB VAL A 72 1.241 -2.063 3.122 1.00 0.00 H new ATOM 0 HG11 VAL A 72 3.017 -2.666 1.510 1.00 0.00 H new ATOM 0 HG12 VAL A 72 1.397 -2.775 0.781 1.00 0.00 H new ATOM 0 HG13 VAL A 72 2.447 -1.385 0.414 1.00 0.00 H new ATOM 0 HG21 VAL A 72 3.472 -1.047 3.310 1.00 0.00 H new ATOM 0 HG22 VAL A 72 2.935 0.310 2.291 1.00 0.00 H new ATOM 0 HG23 VAL A 72 2.192 0.047 3.887 1.00 0.00 H new ATOM 565 N GLU A 73 -1.425 -2.151 2.395 1.00 0.00 N ATOM 566 CA GLU A 73 -2.486 -3.101 2.066 1.00 0.00 C ATOM 567 C GLU A 73 -3.701 -2.387 1.478 1.00 0.00 C ATOM 568 O GLU A 73 -4.347 -2.896 0.560 1.00 0.00 O ATOM 569 CB GLU A 73 -2.900 -3.886 3.310 1.00 0.00 C ATOM 570 CG GLU A 73 -1.876 -4.924 3.744 1.00 0.00 C ATOM 571 CD GLU A 73 -2.081 -6.271 3.073 1.00 0.00 C ATOM 572 OE1 GLU A 73 -3.248 -6.695 2.925 1.00 0.00 O ATOM 573 OE2 GLU A 73 -1.074 -6.903 2.692 1.00 0.00 O ATOM 0 H GLU A 73 -1.249 -2.047 3.394 1.00 0.00 H new ATOM 0 HA GLU A 73 -2.096 -3.792 1.318 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -3.068 -3.188 4.130 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -3.850 -4.384 3.116 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -0.875 -4.558 3.515 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -1.930 -5.050 4.825 1.00 0.00 H new ATOM 580 N THR A 74 -4.003 -1.206 2.011 1.00 0.00 N ATOM 581 CA THR A 74 -5.138 -0.421 1.537 1.00 0.00 C ATOM 582 C THR A 74 -4.838 0.210 0.173 1.00 0.00 C ATOM 583 O THR A 74 -5.738 0.376 -0.650 1.00 0.00 O ATOM 584 CB THR A 74 -5.515 0.651 2.565 1.00 0.00 C ATOM 585 OG1 THR A 74 -5.946 0.046 3.772 1.00 0.00 O ATOM 586 CG2 THR A 74 -6.627 1.566 2.102 1.00 0.00 C ATOM 0 H THR A 74 -3.478 -0.772 2.770 1.00 0.00 H new ATOM 0 HA THR A 74 -5.989 -1.091 1.413 1.00 0.00 H new ATOM 0 HB THR A 74 -4.612 1.245 2.708 1.00 0.00 H new ATOM 0 HG1 THR A 74 -5.168 -0.156 4.333 1.00 0.00 H new ATOM 0 HG21 THR A 74 -6.842 2.300 2.879 1.00 0.00 H new ATOM 0 HG22 THR A 74 -6.319 2.081 1.192 1.00 0.00 H new ATOM 0 HG23 THR A 74 -7.522 0.978 1.901 1.00 0.00 H new ATOM 594 N TYR A 75 -3.570 0.550 -0.063 1.00 0.00 N ATOM 595 CA TYR A 75 -3.154 1.147 -1.324 1.00 0.00 C ATOM 596 C TYR A 75 -3.346 0.157 -2.477 1.00 0.00 C ATOM 597 O TYR A 75 -3.866 0.519 -3.535 1.00 0.00 O ATOM 598 CB TYR A 75 -1.688 1.589 -1.222 1.00 0.00 C ATOM 599 CG TYR A 75 -1.018 1.835 -2.551 1.00 0.00 C ATOM 600 CD1 TYR A 75 -0.480 0.785 -3.281 1.00 0.00 C ATOM 601 CD2 TYR A 75 -0.919 3.117 -3.072 1.00 0.00 C ATOM 602 CE1 TYR A 75 0.135 1.004 -4.493 1.00 0.00 C ATOM 603 CE2 TYR A 75 -0.304 3.345 -4.285 1.00 0.00 C ATOM 604 CZ TYR A 75 0.223 2.287 -4.993 1.00 0.00 C ATOM 605 OH TYR A 75 0.838 2.511 -6.204 1.00 0.00 O ATOM 0 H TYR A 75 -2.813 0.420 0.609 1.00 0.00 H new ATOM 0 HA TYR A 75 -3.773 2.021 -1.529 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -1.637 2.502 -0.628 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -1.128 0.826 -0.682 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -0.545 -0.220 -2.892 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -1.330 3.949 -2.519 1.00 0.00 H new ATOM 0 HE1 TYR A 75 0.547 0.175 -5.050 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -0.236 4.349 -4.678 1.00 0.00 H new ATOM 0 HH TYR A 75 0.814 3.469 -6.411 1.00 0.00 H new ATOM 615 N LEU A 76 -2.929 -1.094 -2.262 1.00 0.00 N ATOM 616 CA LEU A 76 -3.057 -2.137 -3.281 1.00 0.00 C ATOM 617 C LEU A 76 -4.518 -2.358 -3.664 1.00 0.00 C ATOM 618 O LEU A 76 -4.852 -2.433 -4.846 1.00 0.00 O ATOM 619 CB LEU A 76 -2.453 -3.451 -2.777 1.00 0.00 C ATOM 620 CG LEU A 76 -2.379 -4.579 -3.814 1.00 0.00 C ATOM 621 CD1 LEU A 76 -1.659 -4.113 -5.074 1.00 0.00 C ATOM 622 CD2 LEU A 76 -1.689 -5.800 -3.225 1.00 0.00 C ATOM 0 H LEU A 76 -2.500 -1.408 -1.391 1.00 0.00 H new ATOM 0 HA LEU A 76 -2.514 -1.805 -4.166 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -1.447 -3.252 -2.409 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -3.040 -3.799 -1.927 1.00 0.00 H new ATOM 0 HG LEU A 76 -3.397 -4.855 -4.088 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -1.619 -4.931 -5.794 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -2.197 -3.271 -5.510 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -0.645 -3.804 -4.820 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -1.645 -6.590 -3.975 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -0.677 -5.534 -2.919 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -2.249 -6.152 -2.359 1.00 0.00 H new ATOM 634 N LYS A 77 -5.387 -2.457 -2.656 1.00 0.00 N ATOM 635 CA LYS A 77 -6.812 -2.664 -2.897 1.00 0.00 C ATOM 636 C LYS A 77 -7.426 -1.452 -3.597 1.00 0.00 C ATOM 637 O LYS A 77 -8.332 -1.598 -4.415 1.00 0.00 O ATOM 638 CB LYS A 77 -7.552 -2.969 -1.586 1.00 0.00 C ATOM 639 CG LYS A 77 -7.575 -1.814 -0.597 1.00 0.00 C ATOM 640 CD LYS A 77 -8.569 -2.059 0.527 1.00 0.00 C ATOM 641 CE LYS A 77 -8.704 -0.840 1.426 1.00 0.00 C ATOM 642 NZ LYS A 77 -9.978 -0.851 2.198 1.00 0.00 N ATOM 0 H LYS A 77 -5.129 -2.397 -1.671 1.00 0.00 H new ATOM 0 HA LYS A 77 -6.920 -3.527 -3.554 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -8.578 -3.253 -1.819 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -7.084 -3.830 -1.110 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -6.579 -1.673 -0.178 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -7.835 -0.893 -1.119 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -9.542 -2.311 0.105 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -8.247 -2.915 1.119 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -7.862 -0.805 2.117 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -8.656 0.064 0.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -10.028 -0.002 2.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -10.783 -0.858 1.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -10.014 -1.700 2.797 1.00 0.00 H new ATOM 656 N LYS A 78 -6.922 -0.257 -3.276 1.00 0.00 N ATOM 657 CA LYS A 78 -7.420 0.975 -3.886 1.00 0.00 C ATOM 658 C LYS A 78 -7.152 0.988 -5.392 1.00 0.00 C ATOM 659 O LYS A 78 -8.039 1.309 -6.181 1.00 0.00 O ATOM 660 CB LYS A 78 -6.774 2.202 -3.231 1.00 0.00 C ATOM 661 CG LYS A 78 -7.783 3.177 -2.644 1.00 0.00 C ATOM 662 CD LYS A 78 -7.112 4.236 -1.783 1.00 0.00 C ATOM 663 CE LYS A 78 -6.621 3.661 -0.464 1.00 0.00 C ATOM 664 NZ LYS A 78 -5.987 4.700 0.397 1.00 0.00 N ATOM 0 H LYS A 78 -6.172 -0.119 -2.599 1.00 0.00 H new ATOM 0 HA LYS A 78 -8.497 1.014 -3.725 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -6.100 1.870 -2.442 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -6.166 2.722 -3.972 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -8.333 3.660 -3.451 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -8.511 2.630 -2.045 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -6.272 4.668 -2.327 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -7.815 5.045 -1.588 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -7.458 3.210 0.069 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -5.902 2.865 -0.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -5.666 4.266 1.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -5.172 5.113 -0.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -6.680 5.447 0.607 1.00 0.00 H new ATOM 678 N LEU A 79 -5.927 0.631 -5.785 1.00 0.00 N ATOM 679 CA LEU A 79 -5.553 0.601 -7.200 1.00 0.00 C ATOM 680 C LEU A 79 -6.362 -0.451 -7.961 1.00 0.00 C ATOM 681 O LEU A 79 -6.893 -0.172 -9.035 1.00 0.00 O ATOM 682 CB LEU A 79 -4.054 0.313 -7.354 1.00 0.00 C ATOM 683 CG LEU A 79 -3.164 1.548 -7.522 1.00 0.00 C ATOM 684 CD1 LEU A 79 -3.128 2.364 -6.237 1.00 0.00 C ATOM 685 CD2 LEU A 79 -1.756 1.138 -7.936 1.00 0.00 C ATOM 0 H LEU A 79 -5.180 0.360 -5.146 1.00 0.00 H new ATOM 0 HA LEU A 79 -5.774 1.581 -7.623 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.716 -0.242 -6.479 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -3.913 -0.337 -8.218 1.00 0.00 H new ATOM 0 HG LEU A 79 -3.587 2.171 -8.310 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -2.490 3.237 -6.378 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -4.137 2.689 -5.984 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -2.731 1.751 -5.428 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -1.137 2.028 -8.051 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -1.325 0.493 -7.171 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -1.797 0.600 -8.883 1.00 0.00 H new ATOM 697 N ILE A 80 -6.456 -1.657 -7.399 1.00 0.00 N ATOM 698 CA ILE A 80 -7.203 -2.743 -8.037 1.00 0.00 C ATOM 699 C ILE A 80 -8.704 -2.448 -8.054 1.00 0.00 C ATOM 700 O ILE A 80 -9.375 -2.683 -9.060 1.00 0.00 O ATOM 701 CB ILE A 80 -6.956 -4.102 -7.339 1.00 0.00 C ATOM 702 CG1 ILE A 80 -5.452 -4.386 -7.233 1.00 0.00 C ATOM 703 CG2 ILE A 80 -7.656 -5.226 -8.096 1.00 0.00 C ATOM 704 CD1 ILE A 80 -5.112 -5.532 -6.302 1.00 0.00 C ATOM 0 H ILE A 80 -6.027 -1.906 -6.508 1.00 0.00 H new ATOM 0 HA ILE A 80 -6.838 -2.809 -9.062 1.00 0.00 H new ATOM 0 HB ILE A 80 -7.371 -4.052 -6.332 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -5.063 -4.609 -8.226 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -4.945 -3.486 -6.887 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -7.472 -6.174 -7.591 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -8.728 -5.033 -8.125 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -7.269 -5.275 -9.114 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -4.031 -5.673 -6.278 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -5.470 -5.304 -5.298 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -5.590 -6.445 -6.659 1.00 0.00 H new ATOM 716 N ALA A 81 -9.223 -1.931 -6.940 1.00 0.00 N ATOM 717 CA ALA A 81 -10.645 -1.603 -6.833 1.00 0.00 C ATOM 718 C ALA A 81 -11.027 -0.462 -7.775 1.00 0.00 C ATOM 719 O ALA A 81 -12.135 -0.439 -8.310 1.00 0.00 O ATOM 720 CB ALA A 81 -11.005 -1.241 -5.400 1.00 0.00 C ATOM 0 H ALA A 81 -8.681 -1.730 -6.100 1.00 0.00 H new ATOM 0 HA ALA A 81 -11.210 -2.488 -7.127 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -12.066 -1.000 -5.341 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -10.788 -2.085 -4.746 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -10.419 -0.378 -5.085 1.00 0.00 H new ATOM 726 N THR A 82 -10.105 0.481 -7.974 1.00 0.00 N ATOM 727 CA THR A 82 -10.353 1.620 -8.855 1.00 0.00 C ATOM 728 C THR A 82 -10.194 1.209 -10.321 1.00 0.00 C ATOM 729 O THR A 82 -11.160 1.238 -11.086 1.00 0.00 O ATOM 730 CB THR A 82 -9.411 2.784 -8.507 1.00 0.00 C ATOM 731 OG1 THR A 82 -9.623 3.222 -7.175 1.00 0.00 O ATOM 732 CG2 THR A 82 -9.575 3.990 -9.409 1.00 0.00 C ATOM 0 H THR A 82 -9.183 0.478 -7.538 1.00 0.00 H new ATOM 0 HA THR A 82 -11.379 1.957 -8.706 1.00 0.00 H new ATOM 0 HB THR A 82 -8.407 2.383 -8.643 1.00 0.00 H new ATOM 0 HG1 THR A 82 -9.159 2.621 -6.555 1.00 0.00 H new ATOM 0 HG21 THR A 82 -8.878 4.770 -9.103 1.00 0.00 H new ATOM 0 HG22 THR A 82 -9.369 3.704 -10.440 1.00 0.00 H new ATOM 0 HG23 THR A 82 -10.596 4.365 -9.333 1.00 0.00 H new ATOM 740 N ASN A 83 -8.974 0.819 -10.706 1.00 0.00 N ATOM 741 CA ASN A 83 -8.694 0.395 -12.085 1.00 0.00 C ATOM 742 C ASN A 83 -7.215 0.044 -12.297 1.00 0.00 C ATOM 743 O ASN A 83 -6.893 -0.792 -13.142 1.00 0.00 O ATOM 744 CB ASN A 83 -9.115 1.477 -13.092 1.00 0.00 C ATOM 745 CG ASN A 83 -8.829 2.890 -12.609 1.00 0.00 C ATOM 746 OD1 ASN A 83 -9.746 3.641 -12.282 1.00 0.00 O ATOM 747 ND2 ASN A 83 -7.553 3.265 -12.571 1.00 0.00 N ATOM 0 H ASN A 83 -8.166 0.788 -10.085 1.00 0.00 H new ATOM 0 HA ASN A 83 -9.283 -0.506 -12.256 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -8.593 1.310 -14.034 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -10.181 1.379 -13.296 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -7.307 4.205 -12.262 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -6.821 2.612 -12.851 1.00 0.00 H new ATOM 754 N ASN A 84 -6.321 0.693 -11.543 1.00 0.00 N ATOM 755 CA ASN A 84 -4.883 0.450 -11.665 1.00 0.00 C ATOM 756 C ASN A 84 -4.538 -1.005 -11.381 1.00 0.00 C ATOM 757 O ASN A 84 -4.405 -1.416 -10.227 1.00 0.00 O ATOM 758 CB ASN A 84 -4.102 1.357 -10.720 1.00 0.00 C ATOM 759 CG ASN A 84 -3.750 2.684 -11.359 1.00 0.00 C ATOM 760 OD1 ASN A 84 -2.636 2.876 -11.844 1.00 0.00 O ATOM 761 ND2 ASN A 84 -4.701 3.610 -11.365 1.00 0.00 N ATOM 0 H ASN A 84 -6.570 1.391 -10.842 1.00 0.00 H new ATOM 0 HA ASN A 84 -4.601 0.676 -12.693 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -4.691 1.534 -9.820 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -3.188 0.852 -10.408 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -4.521 4.523 -11.783 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -5.611 3.409 -10.952 1.00 0.00 H new ATOM 768 N VAL A 85 -4.391 -1.772 -12.451 1.00 0.00 N ATOM 769 CA VAL A 85 -4.058 -3.188 -12.350 1.00 0.00 C ATOM 770 C VAL A 85 -3.059 -3.591 -13.439 1.00 0.00 C ATOM 771 O VAL A 85 -3.275 -4.554 -14.178 1.00 0.00 O ATOM 772 CB VAL A 85 -5.319 -4.077 -12.449 1.00 0.00 C ATOM 773 CG1 VAL A 85 -4.989 -5.509 -12.063 1.00 0.00 C ATOM 774 CG2 VAL A 85 -6.444 -3.533 -11.576 1.00 0.00 C ATOM 0 H VAL A 85 -4.498 -1.435 -13.408 1.00 0.00 H new ATOM 0 HA VAL A 85 -3.604 -3.342 -11.371 1.00 0.00 H new ATOM 0 HB VAL A 85 -5.661 -4.065 -13.484 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -5.887 -6.122 -12.138 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -4.225 -5.900 -12.735 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -4.617 -5.533 -11.039 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -7.318 -4.178 -11.665 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -6.117 -3.506 -10.536 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -6.702 -2.525 -11.901 1.00 0.00 H new ATOM 784 N THR A 86 -1.962 -2.842 -13.529 1.00 0.00 N ATOM 785 CA THR A 86 -0.924 -3.114 -14.520 1.00 0.00 C ATOM 786 C THR A 86 0.344 -3.692 -13.871 1.00 0.00 C ATOM 787 O THR A 86 1.269 -4.106 -14.574 1.00 0.00 O ATOM 788 CB THR A 86 -0.599 -1.836 -15.310 1.00 0.00 C ATOM 789 OG1 THR A 86 0.332 -2.101 -16.347 1.00 0.00 O ATOM 790 CG2 THR A 86 -0.033 -0.716 -14.460 1.00 0.00 C ATOM 0 H THR A 86 -1.769 -2.041 -12.927 1.00 0.00 H new ATOM 0 HA THR A 86 -1.306 -3.867 -15.209 1.00 0.00 H new ATOM 0 HB THR A 86 -1.558 -1.509 -15.713 1.00 0.00 H new ATOM 0 HG1 THR A 86 0.921 -2.837 -16.078 1.00 0.00 H new ATOM 0 HG21 THR A 86 0.170 0.151 -15.089 1.00 0.00 H new ATOM 0 HG22 THR A 86 -0.754 -0.444 -13.689 1.00 0.00 H new ATOM 0 HG23 THR A 86 0.892 -1.048 -13.990 1.00 0.00 H new ATOM 798 N HIS A 87 0.385 -3.726 -12.533 1.00 0.00 N ATOM 799 CA HIS A 87 1.540 -4.264 -11.813 1.00 0.00 C ATOM 800 C HIS A 87 1.180 -4.616 -10.368 1.00 0.00 C ATOM 801 O HIS A 87 0.124 -4.225 -9.867 1.00 0.00 O ATOM 802 CB HIS A 87 2.706 -3.264 -11.837 1.00 0.00 C ATOM 803 CG HIS A 87 2.411 -1.960 -11.156 1.00 0.00 C ATOM 804 ND1 HIS A 87 2.106 -0.805 -11.844 1.00 0.00 N ATOM 805 CD2 HIS A 87 2.384 -1.630 -9.842 1.00 0.00 C ATOM 806 CE1 HIS A 87 1.903 0.178 -10.984 1.00 0.00 C ATOM 807 NE2 HIS A 87 2.065 -0.297 -9.763 1.00 0.00 N ATOM 0 H HIS A 87 -0.366 -3.388 -11.932 1.00 0.00 H new ATOM 0 HA HIS A 87 1.848 -5.179 -12.320 1.00 0.00 H new ATOM 0 HB2 HIS A 87 3.573 -3.722 -11.361 1.00 0.00 H new ATOM 0 HB3 HIS A 87 2.979 -3.066 -12.873 1.00 0.00 H new ATOM 0 HD2 HIS A 87 2.577 -2.292 -9.011 1.00 0.00 H new ATOM 0 HE1 HIS A 87 1.648 1.196 -11.237 1.00 0.00 H new ATOM 0 HE2 HIS A 87 1.969 0.239 -8.901 1.00 0.00 H new ATOM 816 N LYS A 88 2.076 -5.349 -9.702 1.00 0.00 N ATOM 817 CA LYS A 88 1.872 -5.749 -8.309 1.00 0.00 C ATOM 818 C LYS A 88 2.853 -5.012 -7.393 1.00 0.00 C ATOM 819 O LYS A 88 3.634 -4.179 -7.857 1.00 0.00 O ATOM 820 CB LYS A 88 2.047 -7.265 -8.153 1.00 0.00 C ATOM 821 CG LYS A 88 1.113 -8.088 -9.029 1.00 0.00 C ATOM 822 CD LYS A 88 1.884 -8.888 -10.069 1.00 0.00 C ATOM 823 CE LYS A 88 1.792 -8.252 -11.447 1.00 0.00 C ATOM 824 NZ LYS A 88 2.720 -8.892 -12.422 1.00 0.00 N ATOM 0 H LYS A 88 2.952 -5.678 -10.107 1.00 0.00 H new ATOM 0 HA LYS A 88 0.855 -5.483 -8.022 1.00 0.00 H new ATOM 0 HB2 LYS A 88 3.078 -7.528 -8.391 1.00 0.00 H new ATOM 0 HB3 LYS A 88 1.882 -7.534 -7.110 1.00 0.00 H new ATOM 0 HG2 LYS A 88 0.531 -8.766 -8.405 1.00 0.00 H new ATOM 0 HG3 LYS A 88 0.405 -7.427 -9.529 1.00 0.00 H new ATOM 0 HD2 LYS A 88 2.930 -8.961 -9.771 1.00 0.00 H new ATOM 0 HD3 LYS A 88 1.493 -9.905 -10.110 1.00 0.00 H new ATOM 0 HE2 LYS A 88 0.769 -8.331 -11.815 1.00 0.00 H new ATOM 0 HE3 LYS A 88 2.022 -7.189 -11.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 2.625 -8.428 -13.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 3.699 -8.794 -12.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 2.485 -9.901 -12.515 1.00 0.00 H new ATOM 838 N ILE A 89 2.814 -5.316 -6.093 1.00 0.00 N ATOM 839 CA ILE A 89 3.709 -4.668 -5.135 1.00 0.00 C ATOM 840 C ILE A 89 4.846 -5.599 -4.714 1.00 0.00 C ATOM 841 O ILE A 89 4.636 -6.553 -3.960 1.00 0.00 O ATOM 842 CB ILE A 89 2.959 -4.186 -3.874 1.00 0.00 C ATOM 843 CG1 ILE A 89 1.721 -3.370 -4.260 1.00 0.00 C ATOM 844 CG2 ILE A 89 3.889 -3.362 -2.990 1.00 0.00 C ATOM 845 CD1 ILE A 89 0.870 -2.965 -3.076 1.00 0.00 C ATOM 0 H ILE A 89 2.178 -6.000 -5.684 1.00 0.00 H new ATOM 0 HA ILE A 89 4.124 -3.800 -5.647 1.00 0.00 H new ATOM 0 HB ILE A 89 2.629 -5.060 -3.313 1.00 0.00 H new ATOM 0 HG12 ILE A 89 2.038 -2.473 -4.792 1.00 0.00 H new ATOM 0 HG13 ILE A 89 1.113 -3.953 -4.952 1.00 0.00 H new ATOM 0 HG21 ILE A 89 3.348 -3.028 -2.104 1.00 0.00 H new ATOM 0 HG22 ILE A 89 4.739 -3.973 -2.687 1.00 0.00 H new ATOM 0 HG23 ILE A 89 4.245 -2.495 -3.546 1.00 0.00 H new ATOM 0 HD11 ILE A 89 0.012 -2.391 -3.424 1.00 0.00 H new ATOM 0 HD12 ILE A 89 0.522 -3.857 -2.556 1.00 0.00 H new ATOM 0 HD13 ILE A 89 1.462 -2.355 -2.394 1.00 0.00 H new ATOM 857 N THR A 90 6.050 -5.305 -5.203 1.00 0.00 N ATOM 858 CA THR A 90 7.234 -6.099 -4.880 1.00 0.00 C ATOM 859 C THR A 90 8.011 -5.456 -3.731 1.00 0.00 C ATOM 860 O THR A 90 7.604 -4.419 -3.206 1.00 0.00 O ATOM 861 CB THR A 90 8.131 -6.230 -6.116 1.00 0.00 C ATOM 862 OG1 THR A 90 8.767 -4.997 -6.407 1.00 0.00 O ATOM 863 CG2 THR A 90 7.382 -6.663 -7.361 1.00 0.00 C ATOM 0 H THR A 90 6.231 -4.519 -5.827 1.00 0.00 H new ATOM 0 HA THR A 90 6.913 -7.093 -4.568 1.00 0.00 H new ATOM 0 HB THR A 90 8.858 -7.002 -5.862 1.00 0.00 H new ATOM 0 HG1 THR A 90 9.336 -5.101 -7.198 1.00 0.00 H new ATOM 0 HG21 THR A 90 8.077 -6.735 -8.197 1.00 0.00 H new ATOM 0 HG22 THR A 90 6.920 -7.635 -7.188 1.00 0.00 H new ATOM 0 HG23 THR A 90 6.609 -5.930 -7.594 1.00 0.00 H new ATOM 871 N GLU A 91 9.132 -6.070 -3.346 1.00 0.00 N ATOM 872 CA GLU A 91 9.958 -5.539 -2.259 1.00 0.00 C ATOM 873 C GLU A 91 10.418 -4.111 -2.565 1.00 0.00 C ATOM 874 O GLU A 91 10.500 -3.272 -1.667 1.00 0.00 O ATOM 875 CB GLU A 91 11.171 -6.439 -2.007 1.00 0.00 C ATOM 876 CG GLU A 91 11.370 -6.784 -0.539 1.00 0.00 C ATOM 877 CD GLU A 91 12.787 -6.528 -0.060 1.00 0.00 C ATOM 878 OE1 GLU A 91 13.204 -5.350 -0.038 1.00 0.00 O ATOM 879 OE2 GLU A 91 13.476 -7.505 0.298 1.00 0.00 O ATOM 0 H GLU A 91 9.487 -6.929 -3.767 1.00 0.00 H new ATOM 0 HA GLU A 91 9.345 -5.519 -1.358 1.00 0.00 H new ATOM 0 HB2 GLU A 91 11.055 -7.361 -2.577 1.00 0.00 H new ATOM 0 HB3 GLU A 91 12.067 -5.943 -2.381 1.00 0.00 H new ATOM 0 HG2 GLU A 91 10.676 -6.198 0.064 1.00 0.00 H new ATOM 0 HG3 GLU A 91 11.122 -7.834 -0.381 1.00 0.00 H new ATOM 886 N ALA A 92 10.710 -3.842 -3.839 1.00 0.00 N ATOM 887 CA ALA A 92 11.151 -2.516 -4.263 1.00 0.00 C ATOM 888 C ALA A 92 10.010 -1.498 -4.183 1.00 0.00 C ATOM 889 O ALA A 92 10.210 -0.364 -3.747 1.00 0.00 O ATOM 890 CB ALA A 92 11.715 -2.571 -5.676 1.00 0.00 C ATOM 0 H ALA A 92 10.648 -4.526 -4.593 1.00 0.00 H new ATOM 0 HA ALA A 92 11.938 -2.191 -3.582 1.00 0.00 H new ATOM 0 HB1 ALA A 92 12.039 -1.575 -5.977 1.00 0.00 H new ATOM 0 HB2 ALA A 92 12.565 -3.253 -5.702 1.00 0.00 H new ATOM 0 HB3 ALA A 92 10.945 -2.925 -6.362 1.00 0.00 H new ATOM 896 N GLU A 93 8.818 -1.908 -4.617 1.00 0.00 N ATOM 897 CA GLU A 93 7.649 -1.028 -4.606 1.00 0.00 C ATOM 898 C GLU A 93 7.124 -0.801 -3.188 1.00 0.00 C ATOM 899 O GLU A 93 6.759 0.318 -2.831 1.00 0.00 O ATOM 900 CB GLU A 93 6.536 -1.611 -5.483 1.00 0.00 C ATOM 901 CG GLU A 93 6.789 -1.451 -6.975 1.00 0.00 C ATOM 902 CD GLU A 93 6.138 -0.208 -7.553 1.00 0.00 C ATOM 903 OE1 GLU A 93 6.359 0.892 -7.000 1.00 0.00 O ATOM 904 OE2 GLU A 93 5.407 -0.333 -8.558 1.00 0.00 O ATOM 0 H GLU A 93 8.636 -2.844 -4.980 1.00 0.00 H new ATOM 0 HA GLU A 93 7.962 -0.064 -5.008 1.00 0.00 H new ATOM 0 HB2 GLU A 93 6.422 -2.671 -5.254 1.00 0.00 H new ATOM 0 HB3 GLU A 93 5.593 -1.127 -5.229 1.00 0.00 H new ATOM 0 HG2 GLU A 93 7.863 -1.409 -7.154 1.00 0.00 H new ATOM 0 HG3 GLU A 93 6.412 -2.330 -7.499 1.00 0.00 H new ATOM 911 N ILE A 94 7.082 -1.864 -2.385 1.00 0.00 N ATOM 912 CA ILE A 94 6.587 -1.763 -1.014 1.00 0.00 C ATOM 913 C ILE A 94 7.455 -0.828 -0.167 1.00 0.00 C ATOM 914 O ILE A 94 6.932 -0.050 0.632 1.00 0.00 O ATOM 915 CB ILE A 94 6.493 -3.150 -0.335 1.00 0.00 C ATOM 916 CG1 ILE A 94 5.789 -3.033 1.017 1.00 0.00 C ATOM 917 CG2 ILE A 94 7.870 -3.781 -0.170 1.00 0.00 C ATOM 918 CD1 ILE A 94 5.011 -4.272 1.401 1.00 0.00 C ATOM 0 H ILE A 94 7.383 -2.799 -2.659 1.00 0.00 H new ATOM 0 HA ILE A 94 5.584 -1.341 -1.078 1.00 0.00 H new ATOM 0 HB ILE A 94 5.905 -3.802 -0.981 1.00 0.00 H new ATOM 0 HG12 ILE A 94 6.532 -2.826 1.788 1.00 0.00 H new ATOM 0 HG13 ILE A 94 5.110 -2.181 0.992 1.00 0.00 H new ATOM 0 HG21 ILE A 94 7.769 -4.754 0.310 1.00 0.00 H new ATOM 0 HG22 ILE A 94 8.333 -3.905 -1.149 1.00 0.00 H new ATOM 0 HG23 ILE A 94 8.495 -3.135 0.447 1.00 0.00 H new ATOM 0 HD11 ILE A 94 4.538 -4.118 2.371 1.00 0.00 H new ATOM 0 HD12 ILE A 94 4.245 -4.468 0.650 1.00 0.00 H new ATOM 0 HD13 ILE A 94 5.689 -5.124 1.459 1.00 0.00 H new ATOM 930 N VAL A 95 8.774 -0.892 -0.354 1.00 0.00 N ATOM 931 CA VAL A 95 9.690 -0.032 0.391 1.00 0.00 C ATOM 932 C VAL A 95 9.510 1.431 -0.020 1.00 0.00 C ATOM 933 O VAL A 95 9.505 2.328 0.826 1.00 0.00 O ATOM 934 CB VAL A 95 11.165 -0.470 0.199 1.00 0.00 C ATOM 935 CG1 VAL A 95 11.836 0.266 -0.954 1.00 0.00 C ATOM 936 CG2 VAL A 95 11.950 -0.277 1.489 1.00 0.00 C ATOM 0 H VAL A 95 9.228 -1.527 -1.011 1.00 0.00 H new ATOM 0 HA VAL A 95 9.448 -0.131 1.449 1.00 0.00 H new ATOM 0 HB VAL A 95 11.159 -1.530 -0.056 1.00 0.00 H new ATOM 0 HG11 VAL A 95 12.867 -0.073 -1.051 1.00 0.00 H new ATOM 0 HG12 VAL A 95 11.298 0.060 -1.879 1.00 0.00 H new ATOM 0 HG13 VAL A 95 11.823 1.338 -0.758 1.00 0.00 H new ATOM 0 HG21 VAL A 95 12.983 -0.589 1.336 1.00 0.00 H new ATOM 0 HG22 VAL A 95 11.927 0.775 1.775 1.00 0.00 H new ATOM 0 HG23 VAL A 95 11.502 -0.878 2.281 1.00 0.00 H new ATOM 946 N SER A 96 9.357 1.658 -1.324 1.00 0.00 N ATOM 947 CA SER A 96 9.168 3.006 -1.854 1.00 0.00 C ATOM 948 C SER A 96 7.836 3.599 -1.390 1.00 0.00 C ATOM 949 O SER A 96 7.783 4.751 -0.957 1.00 0.00 O ATOM 950 CB SER A 96 9.236 2.995 -3.385 1.00 0.00 C ATOM 951 OG SER A 96 9.075 4.301 -3.914 1.00 0.00 O ATOM 0 H SER A 96 9.360 0.924 -2.033 1.00 0.00 H new ATOM 0 HA SER A 96 9.973 3.633 -1.469 1.00 0.00 H new ATOM 0 HB2 SER A 96 10.193 2.585 -3.706 1.00 0.00 H new ATOM 0 HB3 SER A 96 8.460 2.341 -3.782 1.00 0.00 H new ATOM 0 HG SER A 96 9.124 4.266 -4.892 1.00 0.00 H new ATOM 957 N ILE A 97 6.764 2.807 -1.474 1.00 0.00 N ATOM 958 CA ILE A 97 5.441 3.269 -1.055 1.00 0.00 C ATOM 959 C ILE A 97 5.398 3.501 0.456 1.00 0.00 C ATOM 960 O ILE A 97 4.806 4.475 0.922 1.00 0.00 O ATOM 961 CB ILE A 97 4.322 2.277 -1.454 1.00 0.00 C ATOM 962 CG1 ILE A 97 4.349 2.011 -2.964 1.00 0.00 C ATOM 963 CG2 ILE A 97 2.959 2.820 -1.038 1.00 0.00 C ATOM 964 CD1 ILE A 97 3.873 0.624 -3.343 1.00 0.00 C ATOM 0 H ILE A 97 6.787 1.850 -1.826 1.00 0.00 H new ATOM 0 HA ILE A 97 5.262 4.211 -1.574 1.00 0.00 H new ATOM 0 HB ILE A 97 4.497 1.335 -0.935 1.00 0.00 H new ATOM 0 HG12 ILE A 97 3.725 2.750 -3.466 1.00 0.00 H new ATOM 0 HG13 ILE A 97 5.366 2.150 -3.331 1.00 0.00 H new ATOM 0 HG21 ILE A 97 2.182 2.112 -1.325 1.00 0.00 H new ATOM 0 HG22 ILE A 97 2.939 2.963 0.042 1.00 0.00 H new ATOM 0 HG23 ILE A 97 2.781 3.774 -1.533 1.00 0.00 H new ATOM 0 HD11 ILE A 97 3.919 0.507 -4.426 1.00 0.00 H new ATOM 0 HD12 ILE A 97 4.512 -0.122 -2.870 1.00 0.00 H new ATOM 0 HD13 ILE A 97 2.845 0.488 -3.007 1.00 0.00 H new ATOM 976 N LEU A 98 6.036 2.608 1.216 1.00 0.00 N ATOM 977 CA LEU A 98 6.075 2.728 2.674 1.00 0.00 C ATOM 978 C LEU A 98 6.704 4.058 3.095 1.00 0.00 C ATOM 979 O LEU A 98 6.210 4.725 4.006 1.00 0.00 O ATOM 980 CB LEU A 98 6.860 1.563 3.288 1.00 0.00 C ATOM 981 CG LEU A 98 6.022 0.339 3.669 1.00 0.00 C ATOM 982 CD1 LEU A 98 6.857 -0.931 3.579 1.00 0.00 C ATOM 983 CD2 LEU A 98 5.446 0.502 5.069 1.00 0.00 C ATOM 0 H LEU A 98 6.531 1.796 0.847 1.00 0.00 H new ATOM 0 HA LEU A 98 5.049 2.697 3.041 1.00 0.00 H new ATOM 0 HB2 LEU A 98 7.628 1.251 2.581 1.00 0.00 H new ATOM 0 HB3 LEU A 98 7.374 1.923 4.179 1.00 0.00 H new ATOM 0 HG LEU A 98 5.195 0.256 2.964 1.00 0.00 H new ATOM 0 HD11 LEU A 98 6.244 -1.790 3.853 1.00 0.00 H new ATOM 0 HD12 LEU A 98 7.221 -1.056 2.559 1.00 0.00 H new ATOM 0 HD13 LEU A 98 7.705 -0.858 4.260 1.00 0.00 H new ATOM 0 HD21 LEU A 98 4.853 -0.377 5.323 1.00 0.00 H new ATOM 0 HD22 LEU A 98 6.259 0.611 5.787 1.00 0.00 H new ATOM 0 HD23 LEU A 98 4.812 1.388 5.101 1.00 0.00 H new ATOM 995 N ASN A 99 7.791 4.441 2.420 1.00 0.00 N ATOM 996 CA ASN A 99 8.481 5.697 2.719 1.00 0.00 C ATOM 997 C ASN A 99 7.580 6.896 2.426 1.00 0.00 C ATOM 998 O ASN A 99 7.623 7.903 3.134 1.00 0.00 O ATOM 999 CB ASN A 99 9.774 5.810 1.904 1.00 0.00 C ATOM 1000 CG ASN A 99 10.978 6.135 2.771 1.00 0.00 C ATOM 1001 OD1 ASN A 99 10.963 7.101 3.535 1.00 0.00 O ATOM 1002 ND2 ASN A 99 12.032 5.333 2.655 1.00 0.00 N ATOM 0 H ASN A 99 8.211 3.900 1.664 1.00 0.00 H new ATOM 0 HA ASN A 99 8.730 5.697 3.780 1.00 0.00 H new ATOM 0 HB2 ASN A 99 9.951 4.872 1.377 1.00 0.00 H new ATOM 0 HB3 ASN A 99 9.656 6.584 1.146 1.00 0.00 H new ATOM 0 HD21 ASN A 99 12.869 5.507 3.211 1.00 0.00 H new ATOM 0 HD22 ASN A 99 12.003 4.543 2.010 1.00 0.00 H new ATOM 1009 N GLY A 100 6.754 6.771 1.387 1.00 0.00 N ATOM 1010 CA GLY A 100 5.841 7.839 1.027 1.00 0.00 C ATOM 1011 C GLY A 100 4.677 7.928 1.989 1.00 0.00 C ATOM 1012 O GLY A 100 4.202 9.018 2.301 1.00 0.00 O ATOM 0 H GLY A 100 6.703 5.946 0.789 1.00 0.00 H new ATOM 0 HA2 GLY A 100 6.377 8.788 1.016 1.00 0.00 H new ATOM 0 HA3 GLY A 100 5.466 7.673 0.017 1.00 0.00 H new ATOM 1016 N ILE A 101 4.231 6.768 2.468 1.00 0.00 N ATOM 1017 CA ILE A 101 3.126 6.688 3.414 1.00 0.00 C ATOM 1018 C ILE A 101 3.417 7.519 4.668 1.00 0.00 C ATOM 1019 O ILE A 101 2.606 8.357 5.069 1.00 0.00 O ATOM 1020 CB ILE A 101 2.859 5.216 3.811 1.00 0.00 C ATOM 1021 CG1 ILE A 101 2.102 4.489 2.697 1.00 0.00 C ATOM 1022 CG2 ILE A 101 2.095 5.132 5.121 1.00 0.00 C ATOM 1023 CD1 ILE A 101 2.098 2.981 2.848 1.00 0.00 C ATOM 0 H ILE A 101 4.625 5.863 2.211 1.00 0.00 H new ATOM 0 HA ILE A 101 2.239 7.093 2.927 1.00 0.00 H new ATOM 0 HB ILE A 101 3.822 4.725 3.953 1.00 0.00 H new ATOM 0 HG12 ILE A 101 1.072 4.846 2.676 1.00 0.00 H new ATOM 0 HG13 ILE A 101 2.549 4.748 1.737 1.00 0.00 H new ATOM 0 HG21 ILE A 101 1.922 4.086 5.375 1.00 0.00 H new ATOM 0 HG22 ILE A 101 2.676 5.606 5.912 1.00 0.00 H new ATOM 0 HG23 ILE A 101 1.138 5.644 5.018 1.00 0.00 H new ATOM 0 HD11 ILE A 101 1.543 2.534 2.023 1.00 0.00 H new ATOM 0 HD12 ILE A 101 3.123 2.612 2.838 1.00 0.00 H new ATOM 0 HD13 ILE A 101 1.624 2.711 3.792 1.00 0.00 H new ATOM 1035 N ALA A 102 4.581 7.283 5.276 1.00 0.00 N ATOM 1036 CA ALA A 102 4.983 8.011 6.479 1.00 0.00 C ATOM 1037 C ALA A 102 5.131 9.505 6.195 1.00 0.00 C ATOM 1038 O ALA A 102 4.801 10.339 7.039 1.00 0.00 O ATOM 1039 CB ALA A 102 6.283 7.448 7.038 1.00 0.00 C ATOM 0 H ALA A 102 5.261 6.594 4.955 1.00 0.00 H new ATOM 0 HA ALA A 102 4.198 7.883 7.224 1.00 0.00 H new ATOM 0 HB1 ALA A 102 6.565 8.003 7.933 1.00 0.00 H new ATOM 0 HB2 ALA A 102 6.145 6.397 7.292 1.00 0.00 H new ATOM 0 HB3 ALA A 102 7.071 7.540 6.290 1.00 0.00 H new ATOM 1045 N LYS A 103 5.629 9.837 5.001 1.00 0.00 N ATOM 1046 CA LYS A 103 5.816 11.232 4.606 1.00 0.00 C ATOM 1047 C LYS A 103 4.479 11.899 4.273 1.00 0.00 C ATOM 1048 O LYS A 103 4.317 13.104 4.470 1.00 0.00 O ATOM 1049 CB LYS A 103 6.759 11.326 3.403 1.00 0.00 C ATOM 1050 CG LYS A 103 7.725 12.499 3.479 1.00 0.00 C ATOM 1051 CD LYS A 103 9.119 12.110 3.010 1.00 0.00 C ATOM 1052 CE LYS A 103 9.939 11.506 4.140 1.00 0.00 C ATOM 1053 NZ LYS A 103 11.345 11.238 3.725 1.00 0.00 N ATOM 0 H LYS A 103 5.909 9.158 4.293 1.00 0.00 H new ATOM 0 HA LYS A 103 6.260 11.759 5.451 1.00 0.00 H new ATOM 0 HB2 LYS A 103 7.329 10.400 3.325 1.00 0.00 H new ATOM 0 HB3 LYS A 103 6.166 11.412 2.492 1.00 0.00 H new ATOM 0 HG2 LYS A 103 7.351 13.319 2.867 1.00 0.00 H new ATOM 0 HG3 LYS A 103 7.775 12.864 4.505 1.00 0.00 H new ATOM 0 HD2 LYS A 103 9.042 11.394 2.192 1.00 0.00 H new ATOM 0 HD3 LYS A 103 9.630 12.989 2.617 1.00 0.00 H new ATOM 0 HE2 LYS A 103 9.935 12.184 4.994 1.00 0.00 H new ATOM 0 HE3 LYS A 103 9.474 10.577 4.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 11.870 10.827 4.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 11.350 10.571 2.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 11.797 12.129 3.435 1.00 0.00 H new ATOM 1067 N GLN A 104 3.527 11.110 3.768 1.00 0.00 N ATOM 1068 CA GLN A 104 2.204 11.621 3.409 1.00 0.00 C ATOM 1069 C GLN A 104 1.527 12.285 4.608 1.00 0.00 C ATOM 1070 O GLN A 104 0.884 13.326 4.469 1.00 0.00 O ATOM 1071 CB GLN A 104 1.316 10.487 2.884 1.00 0.00 C ATOM 1072 CG GLN A 104 1.520 10.173 1.409 1.00 0.00 C ATOM 1073 CD GLN A 104 1.064 8.775 1.030 1.00 0.00 C ATOM 1074 OE1 GLN A 104 0.497 8.048 1.847 1.00 0.00 O ATOM 1075 NE2 GLN A 104 1.308 8.390 -0.219 1.00 0.00 N ATOM 0 H GLN A 104 3.650 10.112 3.599 1.00 0.00 H new ATOM 0 HA GLN A 104 2.338 12.367 2.626 1.00 0.00 H new ATOM 0 HB2 GLN A 104 1.511 9.587 3.467 1.00 0.00 H new ATOM 0 HB3 GLN A 104 0.271 10.752 3.047 1.00 0.00 H new ATOM 0 HG2 GLN A 104 0.975 10.902 0.810 1.00 0.00 H new ATOM 0 HG3 GLN A 104 2.576 10.284 1.163 1.00 0.00 H new ATOM 0 HE21 GLN A 104 1.780 9.023 -0.865 1.00 0.00 H new ATOM 0 HE22 GLN A 104 1.023 7.462 -0.532 1.00 0.00 H new