USER MOD reduce.3.24.130724 H: found=0, std=0, add=425, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 424 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 36 ASN : amide:sc= -0.233 K(o=-0.35,f=-18!) USER MOD Set 1.2: A 39 THR OG1 : rot 180:sc= -0.121 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot -48:sc= -2.46! USER MOD Single : A 23 CYS SG : rot -170:sc= -0.187 USER MOD Single : A 27 THR OG1 : rot -129:sc= -0.644 USER MOD Single : A 35 TYR OH : rot 180:sc= -0.163 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 44:sc= 0.453 USER MOD Single : A 43 MET CE :methyl -166:sc= -2.67! (180deg=-4.01!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=-0.00076) USER MOD Single : A 65 HIS : no HD1:sc= -3.07! C(o=-3.1!,f=-3.2!) USER MOD ----------------------------------------------------------------- ATOM 120 N PRO A 11 -5.828 -10.327 -6.224 1.00 0.00 N ATOM 121 CA PRO A 11 -6.918 -9.953 -5.320 1.00 0.00 C ATOM 122 C PRO A 11 -8.088 -10.930 -5.386 1.00 0.00 C ATOM 123 O PRO A 11 -8.269 -11.630 -6.383 1.00 0.00 O ATOM 124 CB PRO A 11 -7.344 -8.574 -5.829 1.00 0.00 C ATOM 125 CG PRO A 11 -6.947 -8.561 -7.264 1.00 0.00 C ATOM 126 CD PRO A 11 -5.699 -9.394 -7.356 1.00 0.00 C ATOM 0 HA PRO A 11 -6.602 -9.959 -4.277 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -8.417 -8.424 -5.714 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -6.849 -7.777 -5.274 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -7.738 -8.972 -7.891 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -6.763 -7.543 -7.609 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -5.638 -9.922 -8.307 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -4.801 -8.783 -7.273 1.00 0.00 H new ATOM 134 N VAL A 12 -8.879 -10.973 -4.319 1.00 0.00 N ATOM 135 CA VAL A 12 -10.032 -11.863 -4.257 1.00 0.00 C ATOM 136 C VAL A 12 -11.318 -11.121 -4.602 1.00 0.00 C ATOM 137 O VAL A 12 -12.200 -11.663 -5.267 1.00 0.00 O ATOM 138 CB VAL A 12 -10.177 -12.497 -2.861 1.00 0.00 C ATOM 139 CG1 VAL A 12 -8.960 -13.347 -2.531 1.00 0.00 C ATOM 140 CG2 VAL A 12 -10.388 -11.420 -1.807 1.00 0.00 C ATOM 0 H VAL A 12 -8.742 -10.402 -3.485 1.00 0.00 H new ATOM 0 HA VAL A 12 -9.863 -12.652 -4.990 1.00 0.00 H new ATOM 0 HB VAL A 12 -11.053 -13.146 -2.865 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -9.081 -13.787 -1.541 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -8.859 -14.141 -3.271 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -8.066 -12.723 -2.544 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -10.489 -11.885 -0.826 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -9.533 -10.744 -1.802 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -11.294 -10.859 -2.037 1.00 0.00 H new ATOM 150 N ALA A 13 -11.418 -9.876 -4.146 1.00 0.00 N ATOM 151 CA ALA A 13 -12.595 -9.058 -4.409 1.00 0.00 C ATOM 152 C ALA A 13 -12.219 -7.589 -4.567 1.00 0.00 C ATOM 153 O ALA A 13 -11.255 -7.115 -3.963 1.00 0.00 O ATOM 154 CB ALA A 13 -13.615 -9.227 -3.293 1.00 0.00 C ATOM 0 H ALA A 13 -10.697 -9.412 -3.593 1.00 0.00 H new ATOM 0 HA ALA A 13 -13.039 -9.395 -5.346 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -14.489 -8.610 -3.502 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -13.915 -10.273 -3.230 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -13.172 -8.919 -2.346 1.00 0.00 H new ATOM 160 N THR A 14 -12.984 -6.871 -5.383 1.00 0.00 N ATOM 161 CA THR A 14 -12.730 -5.456 -5.622 1.00 0.00 C ATOM 162 C THR A 14 -14.016 -4.643 -5.528 1.00 0.00 C ATOM 163 O THR A 14 -15.034 -5.005 -6.117 1.00 0.00 O ATOM 164 CB THR A 14 -12.089 -5.225 -7.003 1.00 0.00 C ATOM 165 OG1 THR A 14 -10.988 -6.121 -7.188 1.00 0.00 O ATOM 166 CG2 THR A 14 -11.610 -3.789 -7.145 1.00 0.00 C ATOM 0 H THR A 14 -13.785 -7.247 -5.890 1.00 0.00 H new ATOM 0 HA THR A 14 -12.037 -5.125 -4.849 1.00 0.00 H new ATOM 0 HB THR A 14 -12.844 -5.416 -7.765 1.00 0.00 H new ATOM 0 HG1 THR A 14 -10.587 -5.969 -8.069 1.00 0.00 H new ATOM 0 HG21 THR A 14 -11.161 -3.651 -8.129 1.00 0.00 H new ATOM 0 HG22 THR A 14 -12.456 -3.111 -7.034 1.00 0.00 H new ATOM 0 HG23 THR A 14 -10.869 -3.575 -6.375 1.00 0.00 H new ATOM 174 N ALA A 15 -13.962 -3.542 -4.786 1.00 0.00 N ATOM 175 CA ALA A 15 -15.122 -2.676 -4.618 1.00 0.00 C ATOM 176 C ALA A 15 -14.711 -1.207 -4.589 1.00 0.00 C ATOM 177 O ALA A 15 -13.903 -0.780 -3.765 1.00 0.00 O ATOM 178 CB ALA A 15 -15.873 -3.041 -3.346 1.00 0.00 C ATOM 0 H ALA A 15 -13.127 -3.229 -4.291 1.00 0.00 H new ATOM 0 HA ALA A 15 -15.782 -2.825 -5.472 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -16.737 -2.386 -3.233 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -16.208 -4.077 -3.406 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -15.213 -2.922 -2.487 1.00 0.00 H new ATOM 184 N PRO A 16 -15.280 -0.415 -5.510 1.00 0.00 N ATOM 185 CA PRO A 16 -14.988 1.018 -5.610 1.00 0.00 C ATOM 186 C PRO A 16 -15.555 1.809 -4.437 1.00 0.00 C ATOM 187 O PRO A 16 -16.724 1.656 -4.081 1.00 0.00 O ATOM 188 CB PRO A 16 -15.674 1.429 -6.915 1.00 0.00 C ATOM 189 CG PRO A 16 -16.767 0.434 -7.098 1.00 0.00 C ATOM 190 CD PRO A 16 -16.252 -0.857 -6.524 1.00 0.00 C ATOM 0 HA PRO A 16 -13.917 1.218 -5.594 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -16.068 2.443 -6.853 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -14.976 1.409 -7.752 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -17.675 0.754 -6.587 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -17.018 0.320 -8.152 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -17.054 -1.448 -6.081 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -15.782 -1.477 -7.287 1.00 0.00 H new ATOM 198 N ILE A 17 -14.721 2.654 -3.841 1.00 0.00 N ATOM 199 CA ILE A 17 -15.142 3.470 -2.708 1.00 0.00 C ATOM 200 C ILE A 17 -15.984 4.656 -3.168 1.00 0.00 C ATOM 201 O ILE A 17 -15.636 5.368 -4.110 1.00 0.00 O ATOM 202 CB ILE A 17 -13.932 3.992 -1.911 1.00 0.00 C ATOM 203 CG1 ILE A 17 -13.164 2.826 -1.285 1.00 0.00 C ATOM 204 CG2 ILE A 17 -14.387 4.970 -0.838 1.00 0.00 C ATOM 205 CD1 ILE A 17 -12.331 3.225 -0.087 1.00 0.00 C ATOM 0 H ILE A 17 -13.751 2.792 -4.123 1.00 0.00 H new ATOM 0 HA ILE A 17 -15.743 2.829 -2.063 1.00 0.00 H new ATOM 0 HB ILE A 17 -13.265 4.517 -2.595 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -13.873 2.055 -0.984 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -12.513 2.384 -2.039 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -13.521 5.330 -0.283 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -14.895 5.813 -1.306 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -15.072 4.468 -0.155 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -11.815 2.349 0.305 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -11.598 3.974 -0.387 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -12.979 3.640 0.685 1.00 0.00 H new ATOM 217 N PRO A 18 -17.117 4.876 -2.485 1.00 0.00 N ATOM 218 CA PRO A 18 -18.032 5.977 -2.804 1.00 0.00 C ATOM 219 C PRO A 18 -17.442 7.339 -2.456 1.00 0.00 C ATOM 220 O PRO A 18 -16.975 7.557 -1.339 1.00 0.00 O ATOM 221 CB PRO A 18 -19.255 5.685 -1.931 1.00 0.00 C ATOM 222 CG PRO A 18 -18.726 4.885 -0.792 1.00 0.00 C ATOM 223 CD PRO A 18 -17.594 4.068 -1.350 1.00 0.00 C ATOM 0 HA PRO A 18 -18.254 6.027 -3.870 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -19.723 6.606 -1.584 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -20.013 5.132 -2.485 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -18.380 5.534 0.013 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -19.501 4.243 -0.373 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -16.809 3.911 -0.610 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -17.930 3.082 -1.672 1.00 0.00 H new ATOM 231 N GLY A 19 -17.467 8.254 -3.420 1.00 0.00 N ATOM 232 CA GLY A 19 -16.932 9.584 -3.195 1.00 0.00 C ATOM 233 C GLY A 19 -15.498 9.720 -3.668 1.00 0.00 C ATOM 234 O GLY A 19 -15.178 10.606 -4.460 1.00 0.00 O ATOM 0 H GLY A 19 -17.848 8.098 -4.353 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -17.553 10.315 -3.713 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -16.984 9.818 -2.132 1.00 0.00 H new ATOM 238 N THR A 20 -14.630 8.840 -3.178 1.00 0.00 N ATOM 239 CA THR A 20 -13.222 8.867 -3.553 1.00 0.00 C ATOM 240 C THR A 20 -12.939 7.902 -4.698 1.00 0.00 C ATOM 241 O THR A 20 -13.572 6.855 -4.831 1.00 0.00 O ATOM 242 CB THR A 20 -12.316 8.509 -2.359 1.00 0.00 C ATOM 243 OG1 THR A 20 -12.119 7.092 -2.302 1.00 0.00 O ATOM 244 CG2 THR A 20 -12.926 8.994 -1.053 1.00 0.00 C ATOM 0 H THR A 20 -14.878 8.100 -2.521 1.00 0.00 H new ATOM 0 HA THR A 20 -13.001 9.884 -3.876 1.00 0.00 H new ATOM 0 HB THR A 20 -11.355 9.004 -2.499 1.00 0.00 H new ATOM 0 HG1 THR A 20 -12.983 6.638 -2.386 1.00 0.00 H new ATOM 0 HG21 THR A 20 -12.269 8.730 -0.224 1.00 0.00 H new ATOM 0 HG22 THR A 20 -13.048 10.077 -1.088 1.00 0.00 H new ATOM 0 HG23 THR A 20 -13.899 8.524 -0.909 1.00 0.00 H new ATOM 252 N PRO A 21 -11.964 8.260 -5.547 1.00 0.00 N ATOM 253 CA PRO A 21 -11.574 7.438 -6.697 1.00 0.00 C ATOM 254 C PRO A 21 -10.871 6.151 -6.277 1.00 0.00 C ATOM 255 O PRO A 21 -10.504 5.331 -7.119 1.00 0.00 O ATOM 256 CB PRO A 21 -10.613 8.344 -7.471 1.00 0.00 C ATOM 257 CG PRO A 21 -10.062 9.275 -6.447 1.00 0.00 C ATOM 258 CD PRO A 21 -11.166 9.494 -5.450 1.00 0.00 C ATOM 0 HA PRO A 21 -12.437 7.114 -7.278 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -9.821 7.766 -7.947 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -11.131 8.887 -8.262 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -9.181 8.850 -5.967 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -9.754 10.217 -6.901 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -10.775 9.641 -4.443 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -11.759 10.376 -5.694 1.00 0.00 H new ATOM 266 N TRP A 22 -10.687 5.981 -4.973 1.00 0.00 N ATOM 267 CA TRP A 22 -10.028 4.793 -4.442 1.00 0.00 C ATOM 268 C TRP A 22 -10.949 3.580 -4.518 1.00 0.00 C ATOM 269 O TRP A 22 -12.173 3.717 -4.507 1.00 0.00 O ATOM 270 CB TRP A 22 -9.594 5.029 -2.995 1.00 0.00 C ATOM 271 CG TRP A 22 -8.436 5.972 -2.869 1.00 0.00 C ATOM 272 CD1 TRP A 22 -8.495 7.316 -2.634 1.00 0.00 C ATOM 273 CD2 TRP A 22 -7.046 5.642 -2.973 1.00 0.00 C ATOM 274 NE1 TRP A 22 -7.226 7.841 -2.586 1.00 0.00 N ATOM 275 CE2 TRP A 22 -6.320 6.835 -2.790 1.00 0.00 C ATOM 276 CE3 TRP A 22 -6.345 4.455 -3.201 1.00 0.00 C ATOM 277 CZ2 TRP A 22 -4.929 6.872 -2.829 1.00 0.00 C ATOM 278 CZ3 TRP A 22 -4.965 4.494 -3.240 1.00 0.00 C ATOM 279 CH2 TRP A 22 -4.268 5.695 -3.054 1.00 0.00 C ATOM 0 H TRP A 22 -10.985 6.651 -4.264 1.00 0.00 H new ATOM 0 HA TRP A 22 -9.146 4.595 -5.051 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -10.438 5.424 -2.430 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -9.327 4.074 -2.543 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -9.405 7.883 -2.505 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -6.996 8.822 -2.425 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -6.873 3.524 -3.344 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -4.390 7.797 -2.687 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -4.413 3.583 -3.417 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -3.189 5.692 -3.089 1.00 0.00 H new ATOM 290 N CYS A 23 -10.354 2.395 -4.596 1.00 0.00 N ATOM 291 CA CYS A 23 -11.122 1.158 -4.674 1.00 0.00 C ATOM 292 C CYS A 23 -10.545 0.100 -3.739 1.00 0.00 C ATOM 293 O CYS A 23 -9.388 -0.298 -3.874 1.00 0.00 O ATOM 294 CB CYS A 23 -11.137 0.633 -6.111 1.00 0.00 C ATOM 295 SG CYS A 23 -11.619 1.866 -7.342 1.00 0.00 S ATOM 0 H CYS A 23 -9.342 2.265 -4.607 1.00 0.00 H new ATOM 0 HA CYS A 23 -12.144 1.373 -4.363 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -10.145 0.256 -6.359 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -11.823 -0.212 -6.171 1.00 0.00 H new ATOM 0 HG CYS A 23 -11.806 1.284 -8.489 1.00 0.00 H new ATOM 301 N VAL A 24 -11.360 -0.351 -2.790 1.00 0.00 N ATOM 302 CA VAL A 24 -10.931 -1.363 -1.832 1.00 0.00 C ATOM 303 C VAL A 24 -10.761 -2.720 -2.505 1.00 0.00 C ATOM 304 O VAL A 24 -11.715 -3.285 -3.039 1.00 0.00 O ATOM 305 CB VAL A 24 -11.935 -1.499 -0.673 1.00 0.00 C ATOM 306 CG1 VAL A 24 -11.396 -2.442 0.393 1.00 0.00 C ATOM 307 CG2 VAL A 24 -12.251 -0.135 -0.079 1.00 0.00 C ATOM 0 H VAL A 24 -12.320 -0.031 -2.664 1.00 0.00 H new ATOM 0 HA VAL A 24 -9.970 -1.036 -1.434 1.00 0.00 H new ATOM 0 HB VAL A 24 -12.860 -1.922 -1.065 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -12.119 -2.526 1.204 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -11.226 -3.426 -0.044 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -10.457 -2.051 0.783 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -12.962 -0.250 0.739 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -11.335 0.319 0.298 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -12.683 0.505 -0.848 1.00 0.00 H new ATOM 317 N VAL A 25 -9.538 -3.241 -2.475 1.00 0.00 N ATOM 318 CA VAL A 25 -9.242 -4.534 -3.080 1.00 0.00 C ATOM 319 C VAL A 25 -8.723 -5.521 -2.041 1.00 0.00 C ATOM 320 O VAL A 25 -7.769 -5.233 -1.318 1.00 0.00 O ATOM 321 CB VAL A 25 -8.203 -4.400 -4.209 1.00 0.00 C ATOM 322 CG1 VAL A 25 -7.994 -5.737 -4.904 1.00 0.00 C ATOM 323 CG2 VAL A 25 -8.633 -3.333 -5.205 1.00 0.00 C ATOM 0 H VAL A 25 -8.736 -2.787 -2.038 1.00 0.00 H new ATOM 0 HA VAL A 25 -10.176 -4.909 -3.498 1.00 0.00 H new ATOM 0 HB VAL A 25 -7.253 -4.093 -3.771 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -7.257 -5.623 -5.699 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -7.638 -6.471 -4.181 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -8.938 -6.077 -5.331 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -7.887 -3.252 -5.996 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -9.594 -3.607 -5.640 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -8.726 -2.375 -4.694 1.00 0.00 H new ATOM 333 N TRP A 26 -9.356 -6.686 -1.973 1.00 0.00 N ATOM 334 CA TRP A 26 -8.958 -7.718 -1.022 1.00 0.00 C ATOM 335 C TRP A 26 -8.069 -8.760 -1.691 1.00 0.00 C ATOM 336 O TRP A 26 -7.998 -8.837 -2.918 1.00 0.00 O ATOM 337 CB TRP A 26 -10.193 -8.392 -0.423 1.00 0.00 C ATOM 338 CG TRP A 26 -10.974 -7.497 0.491 1.00 0.00 C ATOM 339 CD1 TRP A 26 -10.876 -7.427 1.851 1.00 0.00 C ATOM 340 CD2 TRP A 26 -11.974 -6.545 0.110 1.00 0.00 C ATOM 341 NE1 TRP A 26 -11.754 -6.490 2.339 1.00 0.00 N ATOM 342 CE2 TRP A 26 -12.439 -5.934 1.291 1.00 0.00 C ATOM 343 CE3 TRP A 26 -12.520 -6.149 -1.114 1.00 0.00 C ATOM 344 CZ2 TRP A 26 -13.424 -4.950 1.281 1.00 0.00 C ATOM 345 CZ3 TRP A 26 -13.498 -5.172 -1.121 1.00 0.00 C ATOM 346 CH2 TRP A 26 -13.941 -4.581 0.069 1.00 0.00 C ATOM 0 H TRP A 26 -10.147 -6.940 -2.565 1.00 0.00 H new ATOM 0 HA TRP A 26 -8.390 -7.242 -0.223 1.00 0.00 H new ATOM 0 HB2 TRP A 26 -10.842 -8.729 -1.231 1.00 0.00 H new ATOM 0 HB3 TRP A 26 -9.882 -9.280 0.128 1.00 0.00 H new ATOM 0 HD1 TRP A 26 -10.206 -8.021 2.455 1.00 0.00 H new ATOM 0 HE1 TRP A 26 -11.876 -6.248 3.322 1.00 0.00 H new ATOM 0 HE3 TRP A 26 -12.184 -6.598 -2.037 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 -13.768 -4.494 2.198 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 -13.928 -4.859 -2.061 1.00 0.00 H new ATOM 0 HH2 TRP A 26 -14.706 -3.819 0.029 1.00 0.00 H new ATOM 357 N THR A 27 -7.390 -9.563 -0.877 1.00 0.00 N ATOM 358 CA THR A 27 -6.504 -10.601 -1.390 1.00 0.00 C ATOM 359 C THR A 27 -6.782 -11.941 -0.720 1.00 0.00 C ATOM 360 O THR A 27 -7.638 -12.042 0.158 1.00 0.00 O ATOM 361 CB THR A 27 -5.024 -10.231 -1.178 1.00 0.00 C ATOM 362 OG1 THR A 27 -4.802 -9.862 0.188 1.00 0.00 O ATOM 363 CG2 THR A 27 -4.617 -9.084 -2.091 1.00 0.00 C ATOM 0 H THR A 27 -7.437 -9.514 0.141 1.00 0.00 H new ATOM 0 HA THR A 27 -6.700 -10.685 -2.459 1.00 0.00 H new ATOM 0 HB THR A 27 -4.416 -11.102 -1.422 1.00 0.00 H new ATOM 0 HG1 THR A 27 -4.336 -9.000 0.223 1.00 0.00 H new ATOM 0 HG21 THR A 27 -3.568 -8.840 -1.923 1.00 0.00 H new ATOM 0 HG22 THR A 27 -4.760 -9.378 -3.131 1.00 0.00 H new ATOM 0 HG23 THR A 27 -5.232 -8.210 -1.874 1.00 0.00 H new ATOM 371 N GLY A 28 -6.052 -12.971 -1.140 1.00 0.00 N ATOM 372 CA GLY A 28 -6.235 -14.292 -0.569 1.00 0.00 C ATOM 373 C GLY A 28 -5.607 -14.422 0.804 1.00 0.00 C ATOM 374 O GLY A 28 -6.002 -15.278 1.597 1.00 0.00 O ATOM 0 H GLY A 28 -5.337 -12.913 -1.866 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -7.301 -14.510 -0.500 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -5.800 -15.036 -1.236 1.00 0.00 H new ATOM 378 N ASP A 29 -4.625 -13.574 1.087 1.00 0.00 N ATOM 379 CA ASP A 29 -3.939 -13.598 2.374 1.00 0.00 C ATOM 380 C ASP A 29 -4.671 -12.733 3.395 1.00 0.00 C ATOM 381 O ASP A 29 -4.050 -11.965 4.130 1.00 0.00 O ATOM 382 CB ASP A 29 -2.497 -13.114 2.217 1.00 0.00 C ATOM 383 CG ASP A 29 -1.559 -13.755 3.220 1.00 0.00 C ATOM 384 OD1 ASP A 29 -1.435 -13.221 4.342 1.00 0.00 O ATOM 385 OD2 ASP A 29 -0.950 -14.792 2.884 1.00 0.00 O ATOM 0 H ASP A 29 -4.285 -12.860 0.442 1.00 0.00 H new ATOM 0 HA ASP A 29 -3.931 -14.627 2.735 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -2.151 -13.335 1.207 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -2.465 -12.031 2.335 1.00 0.00 H new ATOM 390 N GLU A 30 -5.994 -12.862 3.434 1.00 0.00 N ATOM 391 CA GLU A 30 -6.809 -12.091 4.365 1.00 0.00 C ATOM 392 C GLU A 30 -6.294 -10.659 4.481 1.00 0.00 C ATOM 393 O GLU A 30 -6.230 -10.098 5.575 1.00 0.00 O ATOM 394 CB GLU A 30 -6.817 -12.755 5.743 1.00 0.00 C ATOM 395 CG GLU A 30 -7.560 -14.080 5.775 1.00 0.00 C ATOM 396 CD GLU A 30 -7.823 -14.567 7.187 1.00 0.00 C ATOM 397 OE1 GLU A 30 -8.521 -13.856 7.940 1.00 0.00 O ATOM 398 OE2 GLU A 30 -7.331 -15.660 7.538 1.00 0.00 O ATOM 0 H GLU A 30 -6.523 -13.493 2.832 1.00 0.00 H new ATOM 0 HA GLU A 30 -7.828 -12.063 3.978 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -5.788 -12.917 6.065 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -7.273 -12.075 6.462 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -8.509 -13.973 5.249 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -6.980 -14.831 5.238 1.00 0.00 H new ATOM 405 N ARG A 31 -5.927 -10.074 3.346 1.00 0.00 N ATOM 406 CA ARG A 31 -5.415 -8.709 3.320 1.00 0.00 C ATOM 407 C ARG A 31 -6.231 -7.841 2.366 1.00 0.00 C ATOM 408 O ARG A 31 -6.978 -8.350 1.531 1.00 0.00 O ATOM 409 CB ARG A 31 -3.944 -8.701 2.902 1.00 0.00 C ATOM 410 CG ARG A 31 -2.978 -8.813 4.070 1.00 0.00 C ATOM 411 CD ARG A 31 -2.737 -7.462 4.725 1.00 0.00 C ATOM 412 NE ARG A 31 -2.298 -7.596 6.111 1.00 0.00 N ATOM 413 CZ ARG A 31 -1.058 -7.920 6.461 1.00 0.00 C ATOM 414 NH1 ARG A 31 -0.140 -8.142 5.531 1.00 0.00 N ATOM 415 NH2 ARG A 31 -0.735 -8.023 7.744 1.00 0.00 N ATOM 0 H ARG A 31 -5.975 -10.524 2.432 1.00 0.00 H new ATOM 0 HA ARG A 31 -5.502 -8.296 4.325 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -3.766 -9.527 2.214 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -3.735 -7.781 2.356 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -3.376 -9.510 4.807 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -2.030 -9.224 3.722 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -1.985 -6.913 4.158 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -3.654 -6.874 4.691 1.00 0.00 H new ATOM 0 HE ARG A 31 -2.981 -7.432 6.851 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -0.385 -8.064 4.544 1.00 0.00 H new ATOM 0 HH12 ARG A 31 0.811 -8.391 5.802 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -1.439 -7.853 8.462 1.00 0.00 H new ATOM 0 HH22 ARG A 31 0.217 -8.272 8.012 1.00 0.00 H new ATOM 429 N VAL A 32 -6.082 -6.526 2.497 1.00 0.00 N ATOM 430 CA VAL A 32 -6.804 -5.587 1.647 1.00 0.00 C ATOM 431 C VAL A 32 -6.013 -4.297 1.459 1.00 0.00 C ATOM 432 O VAL A 32 -5.430 -3.769 2.406 1.00 0.00 O ATOM 433 CB VAL A 32 -8.187 -5.247 2.235 1.00 0.00 C ATOM 434 CG1 VAL A 32 -8.048 -4.706 3.649 1.00 0.00 C ATOM 435 CG2 VAL A 32 -8.914 -4.252 1.343 1.00 0.00 C ATOM 0 H VAL A 32 -5.468 -6.088 3.183 1.00 0.00 H new ATOM 0 HA VAL A 32 -6.938 -6.073 0.680 1.00 0.00 H new ATOM 0 HB VAL A 32 -8.779 -6.161 2.279 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -9.035 -4.472 4.048 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -7.571 -5.456 4.280 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -7.439 -3.802 3.635 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -9.889 -4.023 1.773 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -8.327 -3.337 1.265 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -9.047 -4.683 0.351 1.00 0.00 H new ATOM 445 N PHE A 33 -5.998 -3.794 0.229 1.00 0.00 N ATOM 446 CA PHE A 33 -5.278 -2.565 -0.085 1.00 0.00 C ATOM 447 C PHE A 33 -6.176 -1.585 -0.835 1.00 0.00 C ATOM 448 O PHE A 33 -7.307 -1.913 -1.196 1.00 0.00 O ATOM 449 CB PHE A 33 -4.035 -2.877 -0.921 1.00 0.00 C ATOM 450 CG PHE A 33 -4.344 -3.563 -2.221 1.00 0.00 C ATOM 451 CD1 PHE A 33 -4.490 -4.940 -2.275 1.00 0.00 C ATOM 452 CD2 PHE A 33 -4.486 -2.832 -3.389 1.00 0.00 C ATOM 453 CE1 PHE A 33 -4.774 -5.575 -3.469 1.00 0.00 C ATOM 454 CE2 PHE A 33 -4.770 -3.461 -4.586 1.00 0.00 C ATOM 455 CZ PHE A 33 -4.914 -4.834 -4.627 1.00 0.00 C ATOM 0 H PHE A 33 -6.476 -4.218 -0.566 1.00 0.00 H new ATOM 0 HA PHE A 33 -4.970 -2.104 0.853 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -3.503 -1.948 -1.127 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -3.363 -3.507 -0.338 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -4.381 -5.524 -1.373 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -4.373 -1.758 -3.364 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -4.886 -6.649 -3.497 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -4.879 -2.879 -5.489 1.00 0.00 H new ATOM 0 HZ PHE A 33 -5.135 -5.327 -5.562 1.00 0.00 H new ATOM 465 N PHE A 34 -5.665 -0.380 -1.064 1.00 0.00 N ATOM 466 CA PHE A 34 -6.420 0.649 -1.769 1.00 0.00 C ATOM 467 C PHE A 34 -5.832 0.903 -3.154 1.00 0.00 C ATOM 468 O PHE A 34 -4.627 1.113 -3.300 1.00 0.00 O ATOM 469 CB PHE A 34 -6.430 1.948 -0.960 1.00 0.00 C ATOM 470 CG PHE A 34 -6.763 1.748 0.491 1.00 0.00 C ATOM 471 CD1 PHE A 34 -5.849 1.161 1.350 1.00 0.00 C ATOM 472 CD2 PHE A 34 -7.989 2.149 0.995 1.00 0.00 C ATOM 473 CE1 PHE A 34 -6.153 0.975 2.686 1.00 0.00 C ATOM 474 CE2 PHE A 34 -8.299 1.967 2.330 1.00 0.00 C ATOM 475 CZ PHE A 34 -7.379 1.380 3.176 1.00 0.00 C ATOM 0 H PHE A 34 -4.731 -0.092 -0.772 1.00 0.00 H new ATOM 0 HA PHE A 34 -7.444 0.295 -1.888 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -5.452 2.423 -1.038 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -7.154 2.635 -1.399 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -4.888 0.845 0.972 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -8.712 2.609 0.337 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -5.433 0.514 3.345 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -9.259 2.283 2.710 1.00 0.00 H new ATOM 0 HZ PHE A 34 -7.618 1.238 4.220 1.00 0.00 H new ATOM 485 N TYR A 35 -6.690 0.883 -4.167 1.00 0.00 N ATOM 486 CA TYR A 35 -6.257 1.107 -5.541 1.00 0.00 C ATOM 487 C TYR A 35 -6.918 2.352 -6.124 1.00 0.00 C ATOM 488 O TYR A 35 -7.982 2.773 -5.672 1.00 0.00 O ATOM 489 CB TYR A 35 -6.583 -0.111 -6.407 1.00 0.00 C ATOM 490 CG TYR A 35 -6.392 0.131 -7.887 1.00 0.00 C ATOM 491 CD1 TYR A 35 -5.161 0.531 -8.393 1.00 0.00 C ATOM 492 CD2 TYR A 35 -7.442 -0.042 -8.780 1.00 0.00 C ATOM 493 CE1 TYR A 35 -4.982 0.754 -9.745 1.00 0.00 C ATOM 494 CE2 TYR A 35 -7.272 0.177 -10.134 1.00 0.00 C ATOM 495 CZ TYR A 35 -6.041 0.574 -10.611 1.00 0.00 C ATOM 496 OH TYR A 35 -5.868 0.794 -11.958 1.00 0.00 O ATOM 0 H TYR A 35 -7.690 0.714 -4.063 1.00 0.00 H new ATOM 0 HA TYR A 35 -5.178 1.260 -5.534 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -5.952 -0.945 -6.099 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -7.616 -0.409 -6.226 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -4.330 0.670 -7.718 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -8.408 -0.353 -8.410 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -4.019 1.067 -10.121 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -8.099 0.038 -10.815 1.00 0.00 H new ATOM 0 HH TYR A 35 -6.710 0.622 -12.428 1.00 0.00 H new ATOM 506 N ASN A 36 -6.280 2.937 -7.133 1.00 0.00 N ATOM 507 CA ASN A 36 -6.805 4.133 -7.780 1.00 0.00 C ATOM 508 C ASN A 36 -6.724 4.011 -9.298 1.00 0.00 C ATOM 509 O ASN A 36 -5.684 4.257 -9.911 1.00 0.00 O ATOM 510 CB ASN A 36 -6.034 5.370 -7.314 1.00 0.00 C ATOM 511 CG ASN A 36 -6.689 6.662 -7.763 1.00 0.00 C ATOM 512 OD1 ASN A 36 -7.073 6.806 -8.924 1.00 0.00 O ATOM 513 ND2 ASN A 36 -6.820 7.610 -6.842 1.00 0.00 N ATOM 0 H ASN A 36 -5.398 2.601 -7.520 1.00 0.00 H new ATOM 0 HA ASN A 36 -7.853 4.238 -7.498 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -5.961 5.361 -6.226 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -5.016 5.328 -7.702 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -7.253 8.501 -7.085 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -6.487 7.447 -5.892 1.00 0.00 H new ATOM 520 N PRO A 37 -7.846 3.623 -9.922 1.00 0.00 N ATOM 521 CA PRO A 37 -7.927 3.460 -11.376 1.00 0.00 C ATOM 522 C PRO A 37 -7.863 4.794 -12.113 1.00 0.00 C ATOM 523 O PRO A 37 -7.883 4.837 -13.344 1.00 0.00 O ATOM 524 CB PRO A 37 -9.293 2.800 -11.583 1.00 0.00 C ATOM 525 CG PRO A 37 -10.095 3.208 -10.396 1.00 0.00 C ATOM 526 CD PRO A 37 -9.121 3.313 -9.255 1.00 0.00 C ATOM 0 HA PRO A 37 -7.093 2.878 -11.768 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -9.758 3.136 -12.510 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -9.203 1.716 -11.646 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -10.595 4.161 -10.571 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -10.872 2.475 -10.179 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -9.408 4.096 -8.553 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -9.063 2.383 -8.689 1.00 0.00 H new ATOM 534 N THR A 38 -7.785 5.882 -11.353 1.00 0.00 N ATOM 535 CA THR A 38 -7.719 7.217 -11.934 1.00 0.00 C ATOM 536 C THR A 38 -6.279 7.714 -12.004 1.00 0.00 C ATOM 537 O THR A 38 -5.903 8.427 -12.935 1.00 0.00 O ATOM 538 CB THR A 38 -8.558 8.223 -11.125 1.00 0.00 C ATOM 539 OG1 THR A 38 -9.881 7.710 -10.926 1.00 0.00 O ATOM 540 CG2 THR A 38 -8.632 9.564 -11.840 1.00 0.00 C ATOM 0 H THR A 38 -7.766 5.865 -10.333 1.00 0.00 H new ATOM 0 HA THR A 38 -8.126 7.144 -12.943 1.00 0.00 H new ATOM 0 HB THR A 38 -8.076 8.370 -10.158 1.00 0.00 H new ATOM 0 HG1 THR A 38 -10.408 8.355 -10.409 1.00 0.00 H new ATOM 0 HG21 THR A 38 -9.230 10.259 -11.250 1.00 0.00 H new ATOM 0 HG22 THR A 38 -7.626 9.966 -11.965 1.00 0.00 H new ATOM 0 HG23 THR A 38 -9.093 9.430 -12.819 1.00 0.00 H new ATOM 548 N THR A 39 -5.477 7.333 -11.015 1.00 0.00 N ATOM 549 CA THR A 39 -4.079 7.741 -10.966 1.00 0.00 C ATOM 550 C THR A 39 -3.152 6.531 -10.973 1.00 0.00 C ATOM 551 O THR A 39 -1.997 6.619 -10.557 1.00 0.00 O ATOM 552 CB THR A 39 -3.785 8.590 -9.714 1.00 0.00 C ATOM 553 OG1 THR A 39 -3.966 7.800 -8.533 1.00 0.00 O ATOM 554 CG2 THR A 39 -4.696 9.807 -9.660 1.00 0.00 C ATOM 0 H THR A 39 -5.772 6.743 -10.237 1.00 0.00 H new ATOM 0 HA THR A 39 -3.894 8.342 -11.856 1.00 0.00 H new ATOM 0 HB THR A 39 -2.751 8.931 -9.768 1.00 0.00 H new ATOM 0 HG1 THR A 39 -3.776 8.346 -7.742 1.00 0.00 H new ATOM 0 HG21 THR A 39 -4.470 10.391 -8.768 1.00 0.00 H new ATOM 0 HG22 THR A 39 -4.536 10.421 -10.546 1.00 0.00 H new ATOM 0 HG23 THR A 39 -5.736 9.482 -9.627 1.00 0.00 H new ATOM 562 N ARG A 40 -3.666 5.401 -11.449 1.00 0.00 N ATOM 563 CA ARG A 40 -2.884 4.172 -11.510 1.00 0.00 C ATOM 564 C ARG A 40 -2.003 4.026 -10.273 1.00 0.00 C ATOM 565 O ARG A 40 -0.871 3.547 -10.356 1.00 0.00 O ATOM 566 CB ARG A 40 -2.017 4.156 -12.771 1.00 0.00 C ATOM 567 CG ARG A 40 -2.818 4.213 -14.062 1.00 0.00 C ATOM 568 CD ARG A 40 -1.927 4.022 -15.279 1.00 0.00 C ATOM 569 NE ARG A 40 -1.395 5.290 -15.772 1.00 0.00 N ATOM 570 CZ ARG A 40 -0.337 5.382 -16.569 1.00 0.00 C ATOM 571 NH1 ARG A 40 0.299 4.287 -16.963 1.00 0.00 N ATOM 572 NH2 ARG A 40 0.088 6.572 -16.976 1.00 0.00 N ATOM 0 H ARG A 40 -4.620 5.311 -11.798 1.00 0.00 H new ATOM 0 HA ARG A 40 -3.577 3.331 -11.543 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -1.331 5.003 -12.741 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -1.407 3.252 -12.771 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -3.588 3.441 -14.048 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -3.330 5.173 -14.132 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -1.102 3.357 -15.023 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -2.495 3.535 -16.071 1.00 0.00 H new ATOM 0 HE ARG A 40 -1.862 6.152 -15.489 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -0.024 3.370 -16.654 1.00 0.00 H new ATOM 0 HH12 ARG A 40 1.111 4.361 -17.575 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -0.398 7.417 -16.676 1.00 0.00 H new ATOM 0 HH22 ARG A 40 0.901 6.641 -17.588 1.00 0.00 H new ATOM 586 N LEU A 41 -2.529 4.442 -9.126 1.00 0.00 N ATOM 587 CA LEU A 41 -1.792 4.358 -7.871 1.00 0.00 C ATOM 588 C LEU A 41 -2.315 3.215 -7.007 1.00 0.00 C ATOM 589 O LEU A 41 -3.521 3.083 -6.799 1.00 0.00 O ATOM 590 CB LEU A 41 -1.895 5.679 -7.106 1.00 0.00 C ATOM 591 CG LEU A 41 -0.728 6.008 -6.174 1.00 0.00 C ATOM 592 CD1 LEU A 41 -0.685 5.033 -5.008 1.00 0.00 C ATOM 593 CD2 LEU A 41 0.588 5.987 -6.939 1.00 0.00 C ATOM 0 H LEU A 41 -3.464 4.841 -9.040 1.00 0.00 H new ATOM 0 HA LEU A 41 -0.746 4.162 -8.106 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -1.995 6.488 -7.830 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -2.812 5.664 -6.516 1.00 0.00 H new ATOM 0 HG LEU A 41 -0.878 7.012 -5.776 1.00 0.00 H new ATOM 0 HD11 LEU A 41 0.152 5.283 -4.356 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -1.616 5.098 -4.445 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.560 4.019 -5.386 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.407 6.223 -6.260 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.745 4.996 -7.366 1.00 0.00 H new ATOM 0 HD23 LEU A 41 0.555 6.726 -7.739 1.00 0.00 H new ATOM 605 N SER A 42 -1.400 2.392 -6.504 1.00 0.00 N ATOM 606 CA SER A 42 -1.769 1.260 -5.664 1.00 0.00 C ATOM 607 C SER A 42 -0.855 1.166 -4.446 1.00 0.00 C ATOM 608 O SER A 42 0.313 0.795 -4.561 1.00 0.00 O ATOM 609 CB SER A 42 -1.704 -0.041 -6.467 1.00 0.00 C ATOM 610 OG SER A 42 -0.436 -0.199 -7.080 1.00 0.00 O ATOM 0 H SER A 42 -0.397 2.489 -6.664 1.00 0.00 H new ATOM 0 HA SER A 42 -2.791 1.414 -5.318 1.00 0.00 H new ATOM 0 HB2 SER A 42 -1.902 -0.888 -5.810 1.00 0.00 H new ATOM 0 HB3 SER A 42 -2.483 -0.041 -7.230 1.00 0.00 H new ATOM 0 HG SER A 42 0.268 0.034 -6.439 1.00 0.00 H new ATOM 616 N MET A 43 -1.395 1.504 -3.280 1.00 0.00 N ATOM 617 CA MET A 43 -0.629 1.456 -2.041 1.00 0.00 C ATOM 618 C MET A 43 -1.007 0.231 -1.214 1.00 0.00 C ATOM 619 O MET A 43 -1.916 -0.516 -1.575 1.00 0.00 O ATOM 620 CB MET A 43 -0.861 2.729 -1.223 1.00 0.00 C ATOM 621 CG MET A 43 -0.743 4.005 -2.040 1.00 0.00 C ATOM 622 SD MET A 43 -0.220 5.418 -1.049 1.00 0.00 S ATOM 623 CE MET A 43 -1.148 5.137 0.457 1.00 0.00 C ATOM 0 H MET A 43 -2.360 1.814 -3.167 1.00 0.00 H new ATOM 0 HA MET A 43 0.428 1.386 -2.300 1.00 0.00 H new ATOM 0 HB2 MET A 43 -1.853 2.686 -0.772 1.00 0.00 H new ATOM 0 HB3 MET A 43 -0.141 2.762 -0.406 1.00 0.00 H new ATOM 0 HG2 MET A 43 -0.029 3.849 -2.849 1.00 0.00 H new ATOM 0 HG3 MET A 43 -1.705 4.226 -2.502 1.00 0.00 H new ATOM 0 HE1 MET A 43 -1.131 6.039 1.068 1.00 0.00 H new ATOM 0 HE2 MET A 43 -2.179 4.887 0.208 1.00 0.00 H new ATOM 0 HE3 MET A 43 -0.699 4.314 1.013 1.00 0.00 H new ATOM 633 N TRP A 44 -0.303 0.031 -0.106 1.00 0.00 N ATOM 634 CA TRP A 44 -0.565 -1.104 0.771 1.00 0.00 C ATOM 635 C TRP A 44 -1.313 -0.663 2.025 1.00 0.00 C ATOM 636 O TRP A 44 -1.871 -1.488 2.749 1.00 0.00 O ATOM 637 CB TRP A 44 0.746 -1.789 1.160 1.00 0.00 C ATOM 638 CG TRP A 44 1.139 -2.894 0.226 1.00 0.00 C ATOM 639 CD1 TRP A 44 2.212 -2.910 -0.618 1.00 0.00 C ATOM 640 CD2 TRP A 44 0.461 -4.141 0.042 1.00 0.00 C ATOM 641 NE1 TRP A 44 2.242 -4.093 -1.317 1.00 0.00 N ATOM 642 CE2 TRP A 44 1.179 -4.866 -0.930 1.00 0.00 C ATOM 643 CE3 TRP A 44 -0.681 -4.717 0.603 1.00 0.00 C ATOM 644 CZ2 TRP A 44 0.790 -6.135 -1.350 1.00 0.00 C ATOM 645 CZ3 TRP A 44 -1.067 -5.977 0.185 1.00 0.00 C ATOM 646 CH2 TRP A 44 -0.333 -6.675 -0.783 1.00 0.00 C ATOM 0 H TRP A 44 0.453 0.640 0.206 1.00 0.00 H new ATOM 0 HA TRP A 44 -1.190 -1.813 0.228 1.00 0.00 H new ATOM 0 HB2 TRP A 44 1.542 -1.045 1.187 1.00 0.00 H new ATOM 0 HB3 TRP A 44 0.652 -2.192 2.169 1.00 0.00 H new ATOM 0 HD1 TRP A 44 2.931 -2.111 -0.721 1.00 0.00 H new ATOM 0 HE1 TRP A 44 2.942 -4.353 -2.011 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -1.253 -4.187 1.351 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 1.354 -6.674 -2.097 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -1.949 -6.431 0.612 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -0.660 -7.658 -1.088 1.00 0.00 H new ATOM 657 N ASP A 45 -1.321 0.642 2.275 1.00 0.00 N ATOM 658 CA ASP A 45 -2.002 1.193 3.440 1.00 0.00 C ATOM 659 C ASP A 45 -3.063 2.206 3.022 1.00 0.00 C ATOM 660 O ASP A 45 -3.182 2.544 1.844 1.00 0.00 O ATOM 661 CB ASP A 45 -0.994 1.851 4.383 1.00 0.00 C ATOM 662 CG ASP A 45 -0.228 0.838 5.211 1.00 0.00 C ATOM 663 OD1 ASP A 45 0.572 0.078 4.626 1.00 0.00 O ATOM 664 OD2 ASP A 45 -0.429 0.804 6.443 1.00 0.00 O ATOM 0 H ASP A 45 -0.863 1.338 1.686 1.00 0.00 H new ATOM 0 HA ASP A 45 -2.495 0.373 3.963 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -0.291 2.446 3.800 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -1.518 2.538 5.048 1.00 0.00 H new ATOM 669 N ARG A 46 -3.831 2.687 3.994 1.00 0.00 N ATOM 670 CA ARG A 46 -4.883 3.660 3.726 1.00 0.00 C ATOM 671 C ARG A 46 -4.316 5.076 3.685 1.00 0.00 C ATOM 672 O ARG A 46 -3.903 5.635 4.701 1.00 0.00 O ATOM 673 CB ARG A 46 -5.977 3.567 4.791 1.00 0.00 C ATOM 674 CG ARG A 46 -7.224 4.368 4.455 1.00 0.00 C ATOM 675 CD ARG A 46 -7.164 5.767 5.048 1.00 0.00 C ATOM 676 NE ARG A 46 -7.514 5.776 6.466 1.00 0.00 N ATOM 677 CZ ARG A 46 -8.764 5.755 6.914 1.00 0.00 C ATOM 678 NH1 ARG A 46 -9.778 5.722 6.060 1.00 0.00 N ATOM 679 NH2 ARG A 46 -9.003 5.765 8.220 1.00 0.00 N ATOM 0 H ARG A 46 -3.744 2.419 4.974 1.00 0.00 H new ATOM 0 HA ARG A 46 -5.315 3.432 2.752 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -6.253 2.521 4.926 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -5.576 3.916 5.743 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -7.334 4.435 3.373 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -8.104 3.849 4.834 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -6.160 6.172 4.920 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -7.844 6.421 4.503 1.00 0.00 H new ATOM 0 HE ARG A 46 -6.757 5.800 7.149 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -9.599 5.713 5.056 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -10.737 5.706 6.407 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -8.226 5.789 8.880 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -9.964 5.749 8.563 1.00 0.00 H new ATOM 693 N PRO A 47 -4.295 5.671 2.483 1.00 0.00 N ATOM 694 CA PRO A 47 -3.782 7.029 2.281 1.00 0.00 C ATOM 695 C PRO A 47 -4.687 8.089 2.899 1.00 0.00 C ATOM 696 O PRO A 47 -5.858 7.833 3.178 1.00 0.00 O ATOM 697 CB PRO A 47 -3.752 7.174 0.757 1.00 0.00 C ATOM 698 CG PRO A 47 -4.784 6.219 0.265 1.00 0.00 C ATOM 699 CD PRO A 47 -4.772 5.064 1.229 1.00 0.00 C ATOM 0 HA PRO A 47 -2.811 7.172 2.756 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -3.980 8.195 0.452 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -2.767 6.934 0.356 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -5.767 6.689 0.232 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -4.556 5.885 -0.747 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -5.764 4.628 1.346 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -4.110 4.266 0.892 1.00 0.00 H new ATOM 707 N ASP A 48 -4.138 9.280 3.109 1.00 0.00 N ATOM 708 CA ASP A 48 -4.897 10.380 3.692 1.00 0.00 C ATOM 709 C ASP A 48 -6.145 10.677 2.868 1.00 0.00 C ATOM 710 O ASP A 48 -7.221 10.916 3.416 1.00 0.00 O ATOM 711 CB ASP A 48 -4.026 11.634 3.790 1.00 0.00 C ATOM 712 CG ASP A 48 -4.417 12.521 4.956 1.00 0.00 C ATOM 713 OD1 ASP A 48 -4.337 12.052 6.110 1.00 0.00 O ATOM 714 OD2 ASP A 48 -4.803 13.684 4.713 1.00 0.00 O ATOM 0 H ASP A 48 -3.170 9.509 2.884 1.00 0.00 H new ATOM 0 HA ASP A 48 -5.207 10.083 4.694 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -2.982 11.340 3.895 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -4.106 12.202 2.863 1.00 0.00 H new ATOM 719 N ASP A 49 -5.994 10.660 1.548 1.00 0.00 N ATOM 720 CA ASP A 49 -7.109 10.927 0.647 1.00 0.00 C ATOM 721 C ASP A 49 -8.387 10.265 1.152 1.00 0.00 C ATOM 722 O ASP A 49 -9.494 10.704 0.837 1.00 0.00 O ATOM 723 CB ASP A 49 -6.785 10.429 -0.762 1.00 0.00 C ATOM 724 CG ASP A 49 -5.855 11.366 -1.508 1.00 0.00 C ATOM 725 OD1 ASP A 49 -6.324 12.430 -1.965 1.00 0.00 O ATOM 726 OD2 ASP A 49 -4.657 11.037 -1.633 1.00 0.00 O ATOM 0 H ASP A 49 -5.110 10.464 1.078 1.00 0.00 H new ATOM 0 HA ASP A 49 -7.268 12.005 0.616 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -6.327 9.442 -0.699 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -7.711 10.316 -1.326 1.00 0.00 H new ATOM 731 N LEU A 50 -8.227 9.205 1.937 1.00 0.00 N ATOM 732 CA LEU A 50 -9.368 8.480 2.486 1.00 0.00 C ATOM 733 C LEU A 50 -9.514 8.747 3.981 1.00 0.00 C ATOM 734 O LEU A 50 -10.627 8.794 4.507 1.00 0.00 O ATOM 735 CB LEU A 50 -9.211 6.979 2.237 1.00 0.00 C ATOM 736 CG LEU A 50 -9.363 6.519 0.787 1.00 0.00 C ATOM 737 CD1 LEU A 50 -9.118 5.023 0.672 1.00 0.00 C ATOM 738 CD2 LEU A 50 -10.743 6.878 0.256 1.00 0.00 C ATOM 0 H LEU A 50 -7.318 8.828 2.208 1.00 0.00 H new ATOM 0 HA LEU A 50 -10.268 8.833 1.983 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -8.227 6.673 2.593 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -9.947 6.452 2.843 1.00 0.00 H new ATOM 0 HG LEU A 50 -8.617 7.035 0.182 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -9.231 4.715 -0.367 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -8.108 4.793 1.011 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -9.839 4.488 1.290 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -10.834 6.543 -0.777 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -11.505 6.390 0.864 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -10.880 7.958 0.301 1.00 0.00 H new ATOM 750 N ILE A 51 -8.385 8.922 4.659 1.00 0.00 N ATOM 751 CA ILE A 51 -8.388 9.188 6.092 1.00 0.00 C ATOM 752 C ILE A 51 -9.413 10.259 6.450 1.00 0.00 C ATOM 753 O ILE A 51 -9.359 11.379 5.943 1.00 0.00 O ATOM 754 CB ILE A 51 -7.000 9.636 6.585 1.00 0.00 C ATOM 755 CG1 ILE A 51 -5.976 8.519 6.378 1.00 0.00 C ATOM 756 CG2 ILE A 51 -7.063 10.040 8.050 1.00 0.00 C ATOM 757 CD1 ILE A 51 -4.601 8.852 6.913 1.00 0.00 C ATOM 0 H ILE A 51 -7.456 8.884 4.239 1.00 0.00 H new ATOM 0 HA ILE A 51 -8.655 8.254 6.586 1.00 0.00 H new ATOM 0 HB ILE A 51 -6.686 10.503 6.003 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -6.336 7.612 6.864 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -5.899 8.300 5.313 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -6.074 10.354 8.384 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -7.765 10.865 8.170 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -7.395 9.191 8.648 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -3.927 8.015 6.731 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -4.220 9.740 6.409 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -4.664 9.041 7.985 1.00 0.00 H new ATOM 769 N GLY A 52 -10.346 9.907 7.330 1.00 0.00 N ATOM 770 CA GLY A 52 -11.369 10.850 7.743 1.00 0.00 C ATOM 771 C GLY A 52 -12.758 10.425 7.309 1.00 0.00 C ATOM 772 O GLY A 52 -13.735 10.650 8.023 1.00 0.00 O ATOM 0 H GLY A 52 -10.411 8.986 7.764 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -11.346 10.954 8.828 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -11.145 11.831 7.324 1.00 0.00 H new ATOM 776 N ARG A 53 -12.847 9.811 6.134 1.00 0.00 N ATOM 777 CA ARG A 53 -14.127 9.356 5.604 1.00 0.00 C ATOM 778 C ARG A 53 -14.589 8.087 6.314 1.00 0.00 C ATOM 779 O ARG A 53 -13.778 7.235 6.674 1.00 0.00 O ATOM 780 CB ARG A 53 -14.019 9.101 4.100 1.00 0.00 C ATOM 781 CG ARG A 53 -13.489 10.292 3.317 1.00 0.00 C ATOM 782 CD ARG A 53 -13.807 10.170 1.835 1.00 0.00 C ATOM 783 NE ARG A 53 -13.793 11.467 1.163 1.00 0.00 N ATOM 784 CZ ARG A 53 -14.452 11.720 0.038 1.00 0.00 C ATOM 785 NH1 ARG A 53 -15.175 10.769 -0.538 1.00 0.00 N ATOM 786 NH2 ARG A 53 -14.389 12.925 -0.512 1.00 0.00 N ATOM 0 H ARG A 53 -12.048 9.617 5.531 1.00 0.00 H new ATOM 0 HA ARG A 53 -14.864 10.140 5.781 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -13.365 8.246 3.931 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -15.002 8.832 3.714 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -13.926 11.210 3.710 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -12.410 10.368 3.454 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -13.081 9.509 1.362 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -14.787 9.708 1.711 1.00 0.00 H new ATOM 0 HE ARG A 53 -13.247 12.220 1.581 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -15.226 9.841 -0.117 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -15.680 10.965 -1.402 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -13.834 13.658 -0.071 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -14.895 13.118 -1.376 1.00 0.00 H new ATOM 800 N ALA A 54 -15.898 7.970 6.512 1.00 0.00 N ATOM 801 CA ALA A 54 -16.469 6.805 7.177 1.00 0.00 C ATOM 802 C ALA A 54 -16.747 5.685 6.180 1.00 0.00 C ATOM 803 O ALA A 54 -16.535 4.509 6.478 1.00 0.00 O ATOM 804 CB ALA A 54 -17.744 7.189 7.912 1.00 0.00 C ATOM 0 H ALA A 54 -16.583 8.668 6.221 1.00 0.00 H new ATOM 0 HA ALA A 54 -15.742 6.438 7.902 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -18.159 6.309 8.404 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -17.518 7.950 8.659 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -18.469 7.583 7.200 1.00 0.00 H new ATOM 810 N ASP A 55 -17.223 6.057 4.998 1.00 0.00 N ATOM 811 CA ASP A 55 -17.530 5.084 3.956 1.00 0.00 C ATOM 812 C ASP A 55 -16.358 4.132 3.739 1.00 0.00 C ATOM 813 O ASP A 55 -16.514 2.913 3.807 1.00 0.00 O ATOM 814 CB ASP A 55 -17.874 5.796 2.647 1.00 0.00 C ATOM 815 CG ASP A 55 -18.999 6.800 2.812 1.00 0.00 C ATOM 816 OD1 ASP A 55 -20.131 6.375 3.123 1.00 0.00 O ATOM 817 OD2 ASP A 55 -18.747 8.009 2.630 1.00 0.00 O ATOM 0 H ASP A 55 -17.405 7.026 4.737 1.00 0.00 H new ATOM 0 HA ASP A 55 -18.393 4.502 4.281 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -16.988 6.307 2.271 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -18.158 5.056 1.898 1.00 0.00 H new ATOM 822 N VAL A 56 -15.184 4.698 3.477 1.00 0.00 N ATOM 823 CA VAL A 56 -13.985 3.900 3.250 1.00 0.00 C ATOM 824 C VAL A 56 -13.831 2.823 4.318 1.00 0.00 C ATOM 825 O VAL A 56 -13.531 1.669 4.011 1.00 0.00 O ATOM 826 CB VAL A 56 -12.720 4.779 3.237 1.00 0.00 C ATOM 827 CG1 VAL A 56 -12.697 5.700 4.447 1.00 0.00 C ATOM 828 CG2 VAL A 56 -11.470 3.914 3.191 1.00 0.00 C ATOM 0 H VAL A 56 -15.038 5.706 3.417 1.00 0.00 H new ATOM 0 HA VAL A 56 -14.100 3.427 2.275 1.00 0.00 H new ATOM 0 HB VAL A 56 -12.738 5.398 2.340 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -11.796 6.313 4.421 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -13.576 6.345 4.430 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -12.703 5.103 5.359 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -10.586 4.552 3.182 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -11.442 3.268 4.068 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -11.484 3.302 2.289 1.00 0.00 H new ATOM 838 N ASP A 57 -14.038 3.208 5.572 1.00 0.00 N ATOM 839 CA ASP A 57 -13.924 2.275 6.687 1.00 0.00 C ATOM 840 C ASP A 57 -15.000 1.197 6.606 1.00 0.00 C ATOM 841 O ASP A 57 -14.698 0.010 6.478 1.00 0.00 O ATOM 842 CB ASP A 57 -14.030 3.021 8.018 1.00 0.00 C ATOM 843 CG ASP A 57 -13.302 2.309 9.141 1.00 0.00 C ATOM 844 OD1 ASP A 57 -12.053 2.331 9.145 1.00 0.00 O ATOM 845 OD2 ASP A 57 -13.980 1.730 10.015 1.00 0.00 O ATOM 0 H ASP A 57 -14.286 4.160 5.842 1.00 0.00 H new ATOM 0 HA ASP A 57 -12.948 1.794 6.627 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -13.620 4.024 7.902 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -15.081 3.135 8.285 1.00 0.00 H new ATOM 850 N LYS A 58 -16.258 1.618 6.683 1.00 0.00 N ATOM 851 CA LYS A 58 -17.381 0.691 6.618 1.00 0.00 C ATOM 852 C LYS A 58 -17.075 -0.470 5.677 1.00 0.00 C ATOM 853 O LYS A 58 -17.178 -1.636 6.061 1.00 0.00 O ATOM 854 CB LYS A 58 -18.645 1.419 6.153 1.00 0.00 C ATOM 855 CG LYS A 58 -19.808 0.488 5.855 1.00 0.00 C ATOM 856 CD LYS A 58 -20.762 1.096 4.840 1.00 0.00 C ATOM 857 CE LYS A 58 -21.483 0.022 4.040 1.00 0.00 C ATOM 858 NZ LYS A 58 -22.407 0.609 3.031 1.00 0.00 N ATOM 0 H LYS A 58 -16.525 2.596 6.791 1.00 0.00 H new ATOM 0 HA LYS A 58 -17.547 0.291 7.618 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -18.948 2.131 6.921 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -18.413 1.996 5.258 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -19.428 -0.461 5.476 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -20.347 0.270 6.777 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -21.493 1.720 5.354 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -20.208 1.746 4.162 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -20.751 -0.610 3.538 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -22.046 -0.620 4.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -22.879 -0.155 2.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -23.122 1.192 3.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -21.867 1.201 2.368 1.00 0.00 H new ATOM 872 N ILE A 59 -16.698 -0.144 4.446 1.00 0.00 N ATOM 873 CA ILE A 59 -16.374 -1.160 3.452 1.00 0.00 C ATOM 874 C ILE A 59 -15.408 -2.194 4.018 1.00 0.00 C ATOM 875 O ILE A 59 -15.748 -3.371 4.147 1.00 0.00 O ATOM 876 CB ILE A 59 -15.756 -0.534 2.188 1.00 0.00 C ATOM 877 CG1 ILE A 59 -16.732 0.460 1.555 1.00 0.00 C ATOM 878 CG2 ILE A 59 -15.375 -1.618 1.192 1.00 0.00 C ATOM 879 CD1 ILE A 59 -16.113 1.301 0.460 1.00 0.00 C ATOM 0 H ILE A 59 -16.609 0.816 4.113 1.00 0.00 H new ATOM 0 HA ILE A 59 -17.310 -1.650 3.184 1.00 0.00 H new ATOM 0 HB ILE A 59 -14.852 0.005 2.472 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -17.581 -0.087 1.145 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -17.122 1.118 2.331 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -14.940 -1.160 0.304 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -14.648 -2.291 1.647 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -16.264 -2.182 0.910 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -16.862 1.982 0.057 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -15.282 1.876 0.869 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -15.748 0.651 -0.336 1.00 0.00 H new ATOM 891 N ILE A 60 -14.203 -1.748 4.356 1.00 0.00 N ATOM 892 CA ILE A 60 -13.188 -2.635 4.911 1.00 0.00 C ATOM 893 C ILE A 60 -13.735 -3.420 6.099 1.00 0.00 C ATOM 894 O ILE A 60 -13.494 -4.620 6.225 1.00 0.00 O ATOM 895 CB ILE A 60 -11.940 -1.852 5.359 1.00 0.00 C ATOM 896 CG1 ILE A 60 -11.275 -1.179 4.156 1.00 0.00 C ATOM 897 CG2 ILE A 60 -10.959 -2.776 6.065 1.00 0.00 C ATOM 898 CD1 ILE A 60 -10.491 0.063 4.515 1.00 0.00 C ATOM 0 H ILE A 60 -13.906 -0.778 4.255 1.00 0.00 H new ATOM 0 HA ILE A 60 -12.907 -3.328 4.118 1.00 0.00 H new ATOM 0 HB ILE A 60 -12.248 -1.077 6.061 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -10.608 -1.893 3.674 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -12.042 -0.917 3.427 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -10.082 -2.207 6.375 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -11.437 -3.213 6.942 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -10.654 -3.571 5.384 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -10.048 0.487 3.614 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -11.158 0.795 4.970 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -9.701 -0.196 5.220 1.00 0.00 H new ATOM 910 N GLN A 61 -14.473 -2.734 6.966 1.00 0.00 N ATOM 911 CA GLN A 61 -15.055 -3.367 8.143 1.00 0.00 C ATOM 912 C GLN A 61 -15.849 -4.610 7.755 1.00 0.00 C ATOM 913 O GLN A 61 -15.606 -5.700 8.272 1.00 0.00 O ATOM 914 CB GLN A 61 -15.958 -2.381 8.885 1.00 0.00 C ATOM 915 CG GLN A 61 -15.197 -1.263 9.579 1.00 0.00 C ATOM 916 CD GLN A 61 -15.903 -0.761 10.823 1.00 0.00 C ATOM 917 OE1 GLN A 61 -17.100 -0.474 10.799 1.00 0.00 O ATOM 918 NE2 GLN A 61 -15.163 -0.652 11.920 1.00 0.00 N ATOM 0 H GLN A 61 -14.682 -1.740 6.875 1.00 0.00 H new ATOM 0 HA GLN A 61 -14.241 -3.669 8.802 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -16.664 -1.945 8.178 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -16.544 -2.925 9.626 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -14.203 -1.619 9.849 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -15.062 -0.435 8.884 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -14.174 -0.901 11.895 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -15.583 -0.319 12.788 1.00 0.00 H new ATOM 927 N GLU A 62 -16.800 -4.437 6.842 1.00 0.00 N ATOM 928 CA GLU A 62 -17.631 -5.546 6.387 1.00 0.00 C ATOM 929 C GLU A 62 -17.567 -5.686 4.869 1.00 0.00 C ATOM 930 O GLU A 62 -18.389 -5.138 4.134 1.00 0.00 O ATOM 931 CB GLU A 62 -19.082 -5.341 6.830 1.00 0.00 C ATOM 932 CG GLU A 62 -19.345 -5.763 8.265 1.00 0.00 C ATOM 933 CD GLU A 62 -20.824 -5.873 8.579 1.00 0.00 C ATOM 934 OE1 GLU A 62 -21.403 -6.953 8.338 1.00 0.00 O ATOM 935 OE2 GLU A 62 -21.404 -4.879 9.065 1.00 0.00 O ATOM 0 H GLU A 62 -17.014 -3.541 6.404 1.00 0.00 H new ATOM 0 HA GLU A 62 -17.247 -6.462 6.836 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -19.343 -4.289 6.716 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -19.738 -5.906 6.168 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -18.866 -6.724 8.451 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -18.886 -5.042 8.942 1.00 0.00 H new ATOM 942 N PRO A 63 -16.566 -6.437 4.386 1.00 0.00 N ATOM 943 CA PRO A 63 -16.369 -6.668 2.952 1.00 0.00 C ATOM 944 C PRO A 63 -17.455 -7.556 2.353 1.00 0.00 C ATOM 945 O PRO A 63 -18.102 -8.340 3.048 1.00 0.00 O ATOM 946 CB PRO A 63 -15.010 -7.369 2.889 1.00 0.00 C ATOM 947 CG PRO A 63 -14.858 -8.022 4.219 1.00 0.00 C ATOM 948 CD PRO A 63 -15.549 -7.120 5.204 1.00 0.00 C ATOM 0 HA PRO A 63 -16.413 -5.741 2.380 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -14.980 -8.102 2.083 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -14.206 -6.657 2.703 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -15.306 -9.016 4.219 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -13.806 -8.146 4.475 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -16.002 -7.686 6.018 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -14.855 -6.412 5.656 1.00 0.00 H new ATOM 956 N PRO A 64 -17.660 -7.432 1.034 1.00 0.00 N ATOM 957 CA PRO A 64 -18.667 -8.217 0.313 1.00 0.00 C ATOM 958 C PRO A 64 -18.292 -9.692 0.215 1.00 0.00 C ATOM 959 O PRO A 64 -19.103 -10.570 0.513 1.00 0.00 O ATOM 960 CB PRO A 64 -18.686 -7.577 -1.078 1.00 0.00 C ATOM 961 CG PRO A 64 -17.336 -6.965 -1.232 1.00 0.00 C ATOM 962 CD PRO A 64 -16.925 -6.518 0.144 1.00 0.00 C ATOM 0 HA PRO A 64 -19.633 -8.202 0.818 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -18.875 -8.320 -1.853 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -19.472 -6.826 -1.158 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -16.625 -7.685 -1.637 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -17.366 -6.123 -1.923 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -15.847 -6.598 0.287 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -17.194 -5.478 0.326 1.00 0.00 H new ATOM 970 N HIS A 65 -17.059 -9.958 -0.203 1.00 0.00 N ATOM 971 CA HIS A 65 -16.576 -11.328 -0.338 1.00 0.00 C ATOM 972 C HIS A 65 -16.946 -12.158 0.888 1.00 0.00 C ATOM 973 O HIS A 65 -16.989 -13.387 0.829 1.00 0.00 O ATOM 974 CB HIS A 65 -15.060 -11.340 -0.537 1.00 0.00 C ATOM 975 CG HIS A 65 -14.289 -11.093 0.723 1.00 0.00 C ATOM 976 ND1 HIS A 65 -13.873 -9.838 1.118 1.00 0.00 N ATOM 977 CD2 HIS A 65 -13.859 -11.948 1.680 1.00 0.00 C ATOM 978 CE1 HIS A 65 -13.220 -9.933 2.262 1.00 0.00 C ATOM 979 NE2 HIS A 65 -13.197 -11.203 2.625 1.00 0.00 N ATOM 0 H HIS A 65 -16.376 -9.243 -0.454 1.00 0.00 H new ATOM 0 HA HIS A 65 -17.053 -11.770 -1.212 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -14.764 -12.304 -0.952 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -14.792 -10.581 -1.272 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -14.009 -13.017 1.697 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -12.780 -9.112 2.808 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -12.759 -11.570 3.470 1.00 0.00 H new