USER MOD reduce.3.24.130724 H: found=0, std=0, add=485, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 488 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 Single : A 15 ASN : amide:sc= -3.22! C(o=-3.2!,f=-4.3!) USER MOD Single : A 17 GLN : amide:sc= -0.173 K(o=-0.17,f=-1.7!) USER MOD Single : A 19 LYS NZ :NH3+ 162:sc= -0.0175 (180deg=-0.0456) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 ASN : amide:sc= -1.19 K(o=-1.2,f=-2.3!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= -0.563 K(o=-0.56,f=-1.1) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= -0.0302 K(o=-0.03,f=-1.3!) USER MOD Single : A 81 SER OG : rot 180:sc= -1.07 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 70:sc= -3! USER MOD Single : A 95 GLN : amide:sc=-0.00544 X(o=-0.0054,f=-0.023) USER MOD ----------------------------------------------------------------- ATOM 144 N LEU A 13 -4.726 18.920 10.728 1.00 0.00 N ATOM 145 CA LEU A 13 -4.040 18.450 9.536 1.00 0.00 C ATOM 146 C LEU A 13 -4.997 17.587 8.710 1.00 0.00 C ATOM 147 O LEU A 13 -5.935 17.003 9.249 1.00 0.00 O ATOM 148 CB LEU A 13 -2.739 17.738 9.912 1.00 0.00 C ATOM 149 CG LEU A 13 -1.543 18.642 10.216 1.00 0.00 C ATOM 150 CD1 LEU A 13 -0.499 17.906 11.058 1.00 0.00 C ATOM 151 CD2 LEU A 13 -0.944 19.211 8.928 1.00 0.00 C ATOM 0 HA LEU A 13 -3.746 19.291 8.909 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -2.929 17.114 10.786 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -2.465 17.069 9.096 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.895 19.487 10.807 1.00 0.00 H new ATOM 0 HD11 LEU A 13 0.341 18.571 11.260 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -0.947 17.592 12.000 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -0.145 17.030 10.515 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -0.096 19.850 9.173 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -0.610 18.393 8.290 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -1.699 19.796 8.403 1.00 0.00 H new ATOM 163 N PRO A 14 -4.718 17.534 7.380 1.00 0.00 N ATOM 164 CA PRO A 14 -5.543 16.753 6.474 1.00 0.00 C ATOM 165 C PRO A 14 -5.262 15.257 6.628 1.00 0.00 C ATOM 166 O PRO A 14 -4.208 14.868 7.130 1.00 0.00 O ATOM 167 CB PRO A 14 -5.211 17.280 5.087 1.00 0.00 C ATOM 168 CG PRO A 14 -3.884 18.007 5.224 1.00 0.00 C ATOM 169 CD PRO A 14 -3.616 18.213 6.706 1.00 0.00 C ATOM 0 HA PRO A 14 -6.608 16.856 6.681 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -5.137 16.465 4.367 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -5.990 17.953 4.728 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -3.082 17.427 4.768 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -3.918 18.965 4.706 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -2.654 17.791 6.997 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -3.589 19.273 6.960 1.00 0.00 H new ATOM 177 N ASN A 15 -6.223 14.458 6.187 1.00 0.00 N ATOM 178 CA ASN A 15 -6.092 13.013 6.270 1.00 0.00 C ATOM 179 C ASN A 15 -7.057 12.360 5.279 1.00 0.00 C ATOM 180 O ASN A 15 -8.181 12.829 5.101 1.00 0.00 O ATOM 181 CB ASN A 15 -6.439 12.508 7.671 1.00 0.00 C ATOM 182 CG ASN A 15 -6.149 13.577 8.727 1.00 0.00 C ATOM 183 OD1 ASN A 15 -5.018 13.803 9.124 1.00 0.00 O ATOM 184 ND2 ASN A 15 -7.231 14.219 9.158 1.00 0.00 N ATOM 0 H ASN A 15 -7.095 14.784 5.771 1.00 0.00 H new ATOM 0 HA ASN A 15 -5.058 12.754 6.040 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -7.492 12.229 7.710 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -5.863 11.609 7.891 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -7.143 14.950 9.863 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -8.149 13.980 8.783 1.00 0.00 H new ATOM 191 N ARG A 16 -6.585 11.288 4.660 1.00 0.00 N ATOM 192 CA ARG A 16 -7.392 10.566 3.692 1.00 0.00 C ATOM 193 C ARG A 16 -7.020 9.082 3.692 1.00 0.00 C ATOM 194 O ARG A 16 -5.867 8.728 3.455 1.00 0.00 O ATOM 195 CB ARG A 16 -7.201 11.133 2.283 1.00 0.00 C ATOM 196 CG ARG A 16 -8.107 10.419 1.278 1.00 0.00 C ATOM 197 CD ARG A 16 -9.583 10.669 1.595 1.00 0.00 C ATOM 198 NE ARG A 16 -10.212 11.442 0.502 1.00 0.00 N ATOM 199 CZ ARG A 16 -11.484 11.864 0.515 1.00 0.00 C ATOM 200 NH1 ARG A 16 -12.270 11.589 1.565 1.00 0.00 N ATOM 201 NH2 ARG A 16 -11.970 12.560 -0.522 1.00 0.00 N ATOM 0 H ARG A 16 -5.653 10.902 4.810 1.00 0.00 H new ATOM 0 HA ARG A 16 -8.437 10.682 3.979 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -7.422 12.200 2.283 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -6.159 11.024 1.981 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -7.884 10.768 0.270 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -7.904 9.348 1.297 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -10.101 9.719 1.725 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -9.674 11.213 2.535 1.00 0.00 H new ATOM 0 HE ARG A 16 -9.642 11.668 -0.313 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -11.900 11.059 2.354 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -13.238 11.910 1.575 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -11.372 12.769 -1.321 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -12.938 12.881 -0.512 1.00 0.00 H new ATOM 215 N GLN A 17 -8.020 8.255 3.960 1.00 0.00 N ATOM 216 CA GLN A 17 -7.812 6.817 3.994 1.00 0.00 C ATOM 217 C GLN A 17 -8.832 6.112 3.096 1.00 0.00 C ATOM 218 O GLN A 17 -9.956 6.586 2.937 1.00 0.00 O ATOM 219 CB GLN A 17 -7.884 6.286 5.427 1.00 0.00 C ATOM 220 CG GLN A 17 -9.261 6.549 6.041 1.00 0.00 C ATOM 221 CD GLN A 17 -9.721 5.359 6.885 1.00 0.00 C ATOM 222 OE1 GLN A 17 -9.366 4.218 6.641 1.00 0.00 O ATOM 223 NE2 GLN A 17 -10.528 5.688 7.889 1.00 0.00 N ATOM 0 H GLN A 17 -8.976 8.553 4.155 1.00 0.00 H new ATOM 0 HA GLN A 17 -6.813 6.605 3.613 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -7.678 5.216 5.433 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -7.114 6.762 6.034 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -9.222 7.445 6.660 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -9.986 6.740 5.249 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -10.786 6.664 8.037 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -10.889 4.965 8.511 1.00 0.00 H new ATOM 232 N LEU A 18 -8.403 4.991 2.535 1.00 0.00 N ATOM 233 CA LEU A 18 -9.265 4.217 1.658 1.00 0.00 C ATOM 234 C LEU A 18 -9.049 2.726 1.926 1.00 0.00 C ATOM 235 O LEU A 18 -7.997 2.326 2.422 1.00 0.00 O ATOM 236 CB LEU A 18 -9.043 4.617 0.198 1.00 0.00 C ATOM 237 CG LEU A 18 -9.209 6.104 -0.122 1.00 0.00 C ATOM 238 CD1 LEU A 18 -7.945 6.669 -0.774 1.00 0.00 C ATOM 239 CD2 LEU A 18 -10.453 6.346 -0.979 1.00 0.00 C ATOM 0 H LEU A 18 -7.471 4.600 2.671 1.00 0.00 H new ATOM 0 HA LEU A 18 -10.313 4.432 1.867 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -8.037 4.313 -0.093 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -9.739 4.052 -0.423 1.00 0.00 H new ATOM 0 HG LEU A 18 -9.355 6.640 0.816 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -8.090 7.727 -0.991 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -7.101 6.550 -0.095 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -7.743 6.133 -1.701 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -10.547 7.411 -1.192 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -10.362 5.796 -1.915 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -11.337 6.004 -0.441 1.00 0.00 H new ATOM 251 N LYS A 19 -10.063 1.944 1.585 1.00 0.00 N ATOM 252 CA LYS A 19 -9.998 0.505 1.783 1.00 0.00 C ATOM 253 C LYS A 19 -9.960 -0.191 0.421 1.00 0.00 C ATOM 254 O LYS A 19 -10.912 -0.101 -0.353 1.00 0.00 O ATOM 255 CB LYS A 19 -11.143 0.036 2.682 1.00 0.00 C ATOM 256 CG LYS A 19 -12.475 0.057 1.929 1.00 0.00 C ATOM 257 CD LYS A 19 -12.874 -1.351 1.481 1.00 0.00 C ATOM 258 CE LYS A 19 -14.068 -1.865 2.288 1.00 0.00 C ATOM 259 NZ LYS A 19 -14.218 -3.327 2.117 1.00 0.00 N ATOM 0 H LYS A 19 -10.934 2.279 1.173 1.00 0.00 H new ATOM 0 HA LYS A 19 -9.081 0.233 2.306 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -10.939 -0.973 3.040 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -11.207 0.679 3.560 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -13.253 0.473 2.570 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -12.395 0.710 1.060 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -13.124 -1.342 0.420 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -12.029 -2.029 1.603 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -13.930 -1.629 3.343 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -14.978 -1.360 1.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -14.814 -3.707 2.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -14.664 -3.525 1.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -13.282 -3.778 2.151 1.00 0.00 H new ATOM 273 N VAL A 20 -8.850 -0.869 0.169 1.00 0.00 N ATOM 274 CA VAL A 20 -8.675 -1.580 -1.086 1.00 0.00 C ATOM 275 C VAL A 20 -9.142 -3.027 -0.916 1.00 0.00 C ATOM 276 O VAL A 20 -8.589 -3.771 -0.108 1.00 0.00 O ATOM 277 CB VAL A 20 -7.222 -1.472 -1.551 1.00 0.00 C ATOM 278 CG1 VAL A 20 -7.016 -2.199 -2.882 1.00 0.00 C ATOM 279 CG2 VAL A 20 -6.787 -0.009 -1.652 1.00 0.00 C ATOM 0 H VAL A 20 -8.062 -0.941 0.813 1.00 0.00 H new ATOM 0 HA VAL A 20 -9.286 -1.130 -1.868 1.00 0.00 H new ATOM 0 HB VAL A 20 -6.594 -1.958 -0.804 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -5.974 -2.107 -3.190 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -7.267 -3.253 -2.764 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -7.660 -1.756 -3.642 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -5.750 0.040 -1.985 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -7.423 0.511 -2.368 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -6.878 0.466 -0.675 1.00 0.00 H new ATOM 289 N LYS A 21 -10.156 -3.383 -1.691 1.00 0.00 N ATOM 290 CA LYS A 21 -10.704 -4.728 -1.637 1.00 0.00 C ATOM 291 C LYS A 21 -9.749 -5.692 -2.344 1.00 0.00 C ATOM 292 O LYS A 21 -9.812 -5.850 -3.563 1.00 0.00 O ATOM 293 CB LYS A 21 -12.127 -4.750 -2.197 1.00 0.00 C ATOM 294 CG LYS A 21 -13.160 -4.632 -1.075 1.00 0.00 C ATOM 295 CD LYS A 21 -14.393 -5.488 -1.372 1.00 0.00 C ATOM 296 CE LYS A 21 -14.996 -6.048 -0.083 1.00 0.00 C ATOM 297 NZ LYS A 21 -14.897 -7.525 -0.062 1.00 0.00 N ATOM 0 H LYS A 21 -10.613 -2.763 -2.360 1.00 0.00 H new ATOM 0 HA LYS A 21 -10.789 -5.064 -0.603 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -12.256 -3.930 -2.903 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -12.290 -5.675 -2.750 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -12.714 -4.945 -0.131 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -13.456 -3.590 -0.957 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -15.138 -4.889 -1.896 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -14.119 -6.308 -2.036 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -14.476 -5.631 0.780 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -16.040 -5.747 -0.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -15.311 -7.888 0.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -15.413 -7.919 -0.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -13.897 -7.807 -0.117 1.00 0.00 H new ATOM 311 N VAL A 22 -8.887 -6.310 -1.550 1.00 0.00 N ATOM 312 CA VAL A 22 -7.921 -7.254 -2.086 1.00 0.00 C ATOM 313 C VAL A 22 -8.573 -8.633 -2.205 1.00 0.00 C ATOM 314 O VAL A 22 -9.795 -8.754 -2.130 1.00 0.00 O ATOM 315 CB VAL A 22 -6.661 -7.261 -1.218 1.00 0.00 C ATOM 316 CG1 VAL A 22 -6.137 -5.840 -0.999 1.00 0.00 C ATOM 317 CG2 VAL A 22 -6.919 -7.962 0.117 1.00 0.00 C ATOM 0 H VAL A 22 -8.837 -6.176 -0.540 1.00 0.00 H new ATOM 0 HA VAL A 22 -7.609 -6.955 -3.087 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.892 -7.823 -1.749 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -5.241 -5.874 -0.379 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -5.895 -5.389 -1.961 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -6.901 -5.243 -0.500 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -6.008 -7.953 0.715 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -7.711 -7.440 0.655 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -7.223 -8.993 -0.066 1.00 0.00 H new ATOM 643 N GLN A 44 6.777 0.416 -0.497 1.00 0.00 N ATOM 644 CA GLN A 44 7.322 1.349 0.475 1.00 0.00 C ATOM 645 C GLN A 44 8.265 2.339 -0.211 1.00 0.00 C ATOM 646 O GLN A 44 8.163 3.547 0.001 1.00 0.00 O ATOM 647 CB GLN A 44 8.035 0.607 1.607 1.00 0.00 C ATOM 648 CG GLN A 44 9.247 -0.164 1.079 1.00 0.00 C ATOM 649 CD GLN A 44 9.742 -1.180 2.110 1.00 0.00 C ATOM 650 OE1 GLN A 44 10.545 -0.882 2.979 1.00 0.00 O ATOM 651 NE2 GLN A 44 9.219 -2.395 1.966 1.00 0.00 N ATOM 0 HA GLN A 44 6.497 1.909 0.915 1.00 0.00 H new ATOM 0 HB2 GLN A 44 8.355 1.319 2.368 1.00 0.00 H new ATOM 0 HB3 GLN A 44 7.342 -0.083 2.088 1.00 0.00 H new ATOM 0 HG2 GLN A 44 8.981 -0.678 0.155 1.00 0.00 H new ATOM 0 HG3 GLN A 44 10.049 0.533 0.836 1.00 0.00 H new ATOM 0 HE21 GLN A 44 8.551 -2.577 1.217 1.00 0.00 H new ATOM 0 HE22 GLN A 44 9.486 -3.144 2.605 1.00 0.00 H new ATOM 660 N GLU A 45 9.161 1.792 -1.019 1.00 0.00 N ATOM 661 CA GLU A 45 10.122 2.612 -1.737 1.00 0.00 C ATOM 662 C GLU A 45 9.396 3.628 -2.621 1.00 0.00 C ATOM 663 O GLU A 45 9.643 4.829 -2.524 1.00 0.00 O ATOM 664 CB GLU A 45 11.072 1.745 -2.565 1.00 0.00 C ATOM 665 CG GLU A 45 12.047 2.612 -3.365 1.00 0.00 C ATOM 666 CD GLU A 45 12.241 2.057 -4.778 1.00 0.00 C ATOM 667 OE1 GLU A 45 11.328 2.274 -5.603 1.00 0.00 O ATOM 668 OE2 GLU A 45 13.299 1.428 -5.000 1.00 0.00 O ATOM 0 H GLU A 45 9.242 0.790 -1.193 1.00 0.00 H new ATOM 0 HA GLU A 45 10.722 3.157 -1.008 1.00 0.00 H new ATOM 0 HB2 GLU A 45 11.629 1.078 -1.907 1.00 0.00 H new ATOM 0 HB3 GLU A 45 10.497 1.116 -3.245 1.00 0.00 H new ATOM 0 HG2 GLU A 45 11.670 3.633 -3.420 1.00 0.00 H new ATOM 0 HG3 GLU A 45 13.008 2.654 -2.852 1.00 0.00 H new ATOM 675 N ALA A 46 8.515 3.109 -3.463 1.00 0.00 N ATOM 676 CA ALA A 46 7.751 3.956 -4.364 1.00 0.00 C ATOM 677 C ALA A 46 7.184 5.143 -3.582 1.00 0.00 C ATOM 678 O ALA A 46 7.629 6.277 -3.759 1.00 0.00 O ATOM 679 CB ALA A 46 6.657 3.128 -5.040 1.00 0.00 C ATOM 0 H ALA A 46 8.313 2.112 -3.541 1.00 0.00 H new ATOM 0 HA ALA A 46 8.391 4.354 -5.151 1.00 0.00 H new ATOM 0 HB1 ALA A 46 6.085 3.764 -5.715 1.00 0.00 H new ATOM 0 HB2 ALA A 46 7.113 2.315 -5.606 1.00 0.00 H new ATOM 0 HB3 ALA A 46 5.993 2.714 -4.281 1.00 0.00 H new ATOM 685 N ILE A 47 6.211 4.843 -2.735 1.00 0.00 N ATOM 686 CA ILE A 47 5.579 5.871 -1.926 1.00 0.00 C ATOM 687 C ILE A 47 6.657 6.678 -1.200 1.00 0.00 C ATOM 688 O ILE A 47 6.587 7.904 -1.143 1.00 0.00 O ATOM 689 CB ILE A 47 4.539 5.252 -0.989 1.00 0.00 C ATOM 690 CG1 ILE A 47 3.373 4.657 -1.781 1.00 0.00 C ATOM 691 CG2 ILE A 47 4.066 6.267 0.052 1.00 0.00 C ATOM 692 CD1 ILE A 47 2.911 3.334 -1.167 1.00 0.00 C ATOM 0 H ILE A 47 5.845 3.902 -2.591 1.00 0.00 H new ATOM 0 HA ILE A 47 5.030 6.569 -2.558 1.00 0.00 H new ATOM 0 HB ILE A 47 5.012 4.433 -0.448 1.00 0.00 H new ATOM 0 HG12 ILE A 47 2.543 5.363 -1.799 1.00 0.00 H new ATOM 0 HG13 ILE A 47 3.676 4.496 -2.815 1.00 0.00 H new ATOM 0 HG21 ILE A 47 3.328 5.801 0.705 1.00 0.00 H new ATOM 0 HG22 ILE A 47 4.916 6.602 0.646 1.00 0.00 H new ATOM 0 HG23 ILE A 47 3.616 7.123 -0.452 1.00 0.00 H new ATOM 0 HD11 ILE A 47 2.081 2.933 -1.749 1.00 0.00 H new ATOM 0 HD12 ILE A 47 3.736 2.622 -1.173 1.00 0.00 H new ATOM 0 HD13 ILE A 47 2.585 3.503 -0.141 1.00 0.00 H new ATOM 704 N ASN A 48 7.631 5.956 -0.664 1.00 0.00 N ATOM 705 CA ASN A 48 8.722 6.589 0.056 1.00 0.00 C ATOM 706 C ASN A 48 9.426 7.586 -0.867 1.00 0.00 C ATOM 707 O ASN A 48 10.159 8.458 -0.403 1.00 0.00 O ATOM 708 CB ASN A 48 9.755 5.556 0.511 1.00 0.00 C ATOM 709 CG ASN A 48 11.076 6.230 0.886 1.00 0.00 C ATOM 710 OD1 ASN A 48 11.114 7.283 1.500 1.00 0.00 O ATOM 711 ND2 ASN A 48 12.156 5.565 0.482 1.00 0.00 N ATOM 0 H ASN A 48 7.687 4.939 -0.714 1.00 0.00 H new ATOM 0 HA ASN A 48 8.304 7.090 0.929 1.00 0.00 H new ATOM 0 HB2 ASN A 48 9.369 5.003 1.367 1.00 0.00 H new ATOM 0 HB3 ASN A 48 9.925 4.832 -0.286 1.00 0.00 H new ATOM 0 HD21 ASN A 48 13.086 5.933 0.683 1.00 0.00 H new ATOM 0 HD22 ASN A 48 12.054 4.688 -0.028 1.00 0.00 H new ATOM 718 N ASP A 49 9.178 7.424 -2.159 1.00 0.00 N ATOM 719 CA ASP A 49 9.779 8.298 -3.152 1.00 0.00 C ATOM 720 C ASP A 49 8.816 9.445 -3.464 1.00 0.00 C ATOM 721 O ASP A 49 9.243 10.580 -3.672 1.00 0.00 O ATOM 722 CB ASP A 49 10.055 7.545 -4.454 1.00 0.00 C ATOM 723 CG ASP A 49 11.162 8.143 -5.325 1.00 0.00 C ATOM 724 OD1 ASP A 49 11.649 9.233 -4.954 1.00 0.00 O ATOM 725 OD2 ASP A 49 11.495 7.497 -6.342 1.00 0.00 O ATOM 0 H ASP A 49 8.569 6.700 -2.541 1.00 0.00 H new ATOM 0 HA ASP A 49 10.719 8.673 -2.747 1.00 0.00 H new ATOM 0 HB2 ASP A 49 10.320 6.516 -4.212 1.00 0.00 H new ATOM 0 HB3 ASP A 49 9.135 7.508 -5.037 1.00 0.00 H new ATOM 730 N LEU A 50 7.534 9.110 -3.487 1.00 0.00 N ATOM 731 CA LEU A 50 6.507 10.098 -3.771 1.00 0.00 C ATOM 732 C LEU A 50 6.321 10.999 -2.548 1.00 0.00 C ATOM 733 O LEU A 50 6.044 12.189 -2.686 1.00 0.00 O ATOM 734 CB LEU A 50 5.219 9.414 -4.233 1.00 0.00 C ATOM 735 CG LEU A 50 5.050 9.254 -5.745 1.00 0.00 C ATOM 736 CD1 LEU A 50 4.102 8.098 -6.071 1.00 0.00 C ATOM 737 CD2 LEU A 50 4.597 10.566 -6.388 1.00 0.00 C ATOM 0 H LEU A 50 7.183 8.168 -3.314 1.00 0.00 H new ATOM 0 HA LEU A 50 6.813 10.740 -4.597 1.00 0.00 H new ATOM 0 HB2 LEU A 50 5.172 8.426 -3.776 1.00 0.00 H new ATOM 0 HB3 LEU A 50 4.372 9.983 -3.851 1.00 0.00 H new ATOM 0 HG LEU A 50 6.021 9.005 -6.173 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.999 8.006 -7.152 1.00 0.00 H new ATOM 0 HD12 LEU A 50 4.506 7.171 -5.664 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.125 8.293 -5.629 1.00 0.00 H new ATOM 0 HD21 LEU A 50 4.485 10.425 -7.463 1.00 0.00 H new ATOM 0 HD22 LEU A 50 3.642 10.870 -5.960 1.00 0.00 H new ATOM 0 HD23 LEU A 50 5.342 11.340 -6.200 1.00 0.00 H new ATOM 749 N VAL A 51 6.480 10.396 -1.379 1.00 0.00 N ATOM 750 CA VAL A 51 6.333 11.128 -0.133 1.00 0.00 C ATOM 751 C VAL A 51 7.430 12.190 -0.037 1.00 0.00 C ATOM 752 O VAL A 51 7.269 13.195 0.654 1.00 0.00 O ATOM 753 CB VAL A 51 6.336 10.157 1.049 1.00 0.00 C ATOM 754 CG1 VAL A 51 6.387 10.912 2.379 1.00 0.00 C ATOM 755 CG2 VAL A 51 5.126 9.223 0.995 1.00 0.00 C ATOM 0 H VAL A 51 6.709 9.408 -1.269 1.00 0.00 H new ATOM 0 HA VAL A 51 5.375 11.647 -0.107 1.00 0.00 H new ATOM 0 HB VAL A 51 7.235 9.545 0.977 1.00 0.00 H new ATOM 0 HG11 VAL A 51 6.388 10.198 3.203 1.00 0.00 H new ATOM 0 HG12 VAL A 51 7.294 11.515 2.420 1.00 0.00 H new ATOM 0 HG13 VAL A 51 5.515 11.561 2.463 1.00 0.00 H new ATOM 0 HG21 VAL A 51 5.153 8.543 1.847 1.00 0.00 H new ATOM 0 HG22 VAL A 51 4.210 9.812 1.030 1.00 0.00 H new ATOM 0 HG23 VAL A 51 5.152 8.647 0.070 1.00 0.00 H new ATOM 765 N LYS A 52 8.523 11.931 -0.742 1.00 0.00 N ATOM 766 CA LYS A 52 9.647 12.852 -0.745 1.00 0.00 C ATOM 767 C LYS A 52 9.446 13.891 -1.849 1.00 0.00 C ATOM 768 O LYS A 52 9.961 15.004 -1.760 1.00 0.00 O ATOM 769 CB LYS A 52 10.966 12.085 -0.855 1.00 0.00 C ATOM 770 CG LYS A 52 11.428 11.589 0.517 1.00 0.00 C ATOM 771 CD LYS A 52 12.848 12.067 0.824 1.00 0.00 C ATOM 772 CE LYS A 52 12.826 13.346 1.665 1.00 0.00 C ATOM 773 NZ LYS A 52 13.895 14.272 1.228 1.00 0.00 N ATOM 0 H LYS A 52 8.653 11.097 -1.314 1.00 0.00 H new ATOM 0 HA LYS A 52 9.698 13.395 0.199 1.00 0.00 H new ATOM 0 HB2 LYS A 52 10.843 11.238 -1.529 1.00 0.00 H new ATOM 0 HB3 LYS A 52 11.730 12.729 -1.289 1.00 0.00 H new ATOM 0 HG2 LYS A 52 10.745 11.949 1.286 1.00 0.00 H new ATOM 0 HG3 LYS A 52 11.393 10.500 0.544 1.00 0.00 H new ATOM 0 HD2 LYS A 52 13.391 11.286 1.357 1.00 0.00 H new ATOM 0 HD3 LYS A 52 13.384 12.249 -0.108 1.00 0.00 H new ATOM 0 HE2 LYS A 52 11.855 13.833 1.572 1.00 0.00 H new ATOM 0 HE3 LYS A 52 12.959 13.098 2.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 13.866 15.134 1.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 14.821 13.811 1.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 13.750 14.522 0.229 1.00 0.00 H new ATOM 787 N LYS A 53 8.695 13.491 -2.865 1.00 0.00 N ATOM 788 CA LYS A 53 8.420 14.374 -3.986 1.00 0.00 C ATOM 789 C LYS A 53 7.366 15.403 -3.572 1.00 0.00 C ATOM 790 O LYS A 53 7.397 16.546 -4.025 1.00 0.00 O ATOM 791 CB LYS A 53 8.034 13.563 -5.225 1.00 0.00 C ATOM 792 CG LYS A 53 9.277 13.024 -5.936 1.00 0.00 C ATOM 793 CD LYS A 53 9.244 13.360 -7.428 1.00 0.00 C ATOM 794 CE LYS A 53 7.962 12.838 -8.080 1.00 0.00 C ATOM 795 NZ LYS A 53 7.585 13.684 -9.234 1.00 0.00 N ATOM 0 H LYS A 53 8.268 12.567 -2.935 1.00 0.00 H new ATOM 0 HA LYS A 53 9.317 14.929 -4.263 1.00 0.00 H new ATOM 0 HB2 LYS A 53 7.388 12.734 -4.935 1.00 0.00 H new ATOM 0 HB3 LYS A 53 7.461 14.189 -5.910 1.00 0.00 H new ATOM 0 HG2 LYS A 53 10.173 13.450 -5.483 1.00 0.00 H new ATOM 0 HG3 LYS A 53 9.336 11.944 -5.804 1.00 0.00 H new ATOM 0 HD2 LYS A 53 9.311 14.440 -7.563 1.00 0.00 H new ATOM 0 HD3 LYS A 53 10.112 12.923 -7.922 1.00 0.00 H new ATOM 0 HE2 LYS A 53 8.107 11.809 -8.408 1.00 0.00 H new ATOM 0 HE3 LYS A 53 7.153 12.828 -7.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 6.713 13.315 -9.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 7.426 14.660 -8.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 8.350 13.672 -9.938 1.00 0.00 H new ATOM 809 N TYR A 54 6.457 14.960 -2.715 1.00 0.00 N ATOM 810 CA TYR A 54 5.395 15.828 -2.235 1.00 0.00 C ATOM 811 C TYR A 54 5.878 16.689 -1.066 1.00 0.00 C ATOM 812 O TYR A 54 6.997 16.517 -0.584 1.00 0.00 O ATOM 813 CB TYR A 54 4.282 14.900 -1.744 1.00 0.00 C ATOM 814 CG TYR A 54 3.407 14.332 -2.862 1.00 0.00 C ATOM 815 CD1 TYR A 54 3.992 13.729 -3.957 1.00 0.00 C ATOM 816 CD2 TYR A 54 2.032 14.421 -2.776 1.00 0.00 C ATOM 817 CE1 TYR A 54 3.168 13.194 -5.010 1.00 0.00 C ATOM 818 CE2 TYR A 54 1.209 13.886 -3.829 1.00 0.00 C ATOM 819 CZ TYR A 54 1.817 13.299 -4.894 1.00 0.00 C ATOM 820 OH TYR A 54 1.039 12.794 -5.889 1.00 0.00 O ATOM 0 H TYR A 54 6.434 14.011 -2.341 1.00 0.00 H new ATOM 0 HA TYR A 54 5.061 16.500 -3.026 1.00 0.00 H new ATOM 0 HB2 TYR A 54 4.729 14.074 -1.191 1.00 0.00 H new ATOM 0 HB3 TYR A 54 3.650 15.446 -1.044 1.00 0.00 H new ATOM 0 HD1 TYR A 54 5.068 13.658 -4.024 1.00 0.00 H new ATOM 0 HD2 TYR A 54 1.574 14.892 -1.919 1.00 0.00 H new ATOM 0 HE1 TYR A 54 3.613 12.720 -5.872 1.00 0.00 H new ATOM 0 HE2 TYR A 54 0.132 13.950 -3.774 1.00 0.00 H new ATOM 0 HH TYR A 54 0.095 12.939 -5.671 1.00 0.00 H new ATOM 830 N THR A 55 5.011 17.597 -0.645 1.00 0.00 N ATOM 831 CA THR A 55 5.334 18.486 0.459 1.00 0.00 C ATOM 832 C THR A 55 4.716 17.969 1.759 1.00 0.00 C ATOM 833 O THR A 55 3.501 17.804 1.850 1.00 0.00 O ATOM 834 CB THR A 55 4.870 19.895 0.083 1.00 0.00 C ATOM 835 OG1 THR A 55 6.064 20.556 -0.327 1.00 0.00 O ATOM 836 CG2 THR A 55 4.396 20.698 1.296 1.00 0.00 C ATOM 0 H THR A 55 4.085 17.737 -1.048 1.00 0.00 H new ATOM 0 HA THR A 55 6.409 18.519 0.638 1.00 0.00 H new ATOM 0 HB THR A 55 4.063 19.829 -0.646 1.00 0.00 H new ATOM 0 HG1 THR A 55 5.855 21.477 -0.590 1.00 0.00 H new ATOM 0 HG21 THR A 55 4.078 21.690 0.974 1.00 0.00 H new ATOM 0 HG22 THR A 55 3.559 20.184 1.768 1.00 0.00 H new ATOM 0 HG23 THR A 55 5.213 20.793 2.011 1.00 0.00 H new ATOM 844 N LEU A 56 5.582 17.728 2.733 1.00 0.00 N ATOM 845 CA LEU A 56 5.136 17.234 4.025 1.00 0.00 C ATOM 846 C LEU A 56 4.039 16.188 3.814 1.00 0.00 C ATOM 847 O LEU A 56 2.939 16.321 4.349 1.00 0.00 O ATOM 848 CB LEU A 56 4.714 18.395 4.927 1.00 0.00 C ATOM 849 CG LEU A 56 5.845 19.282 5.452 1.00 0.00 C ATOM 850 CD1 LEU A 56 7.007 18.435 5.975 1.00 0.00 C ATOM 851 CD2 LEU A 56 6.298 20.281 4.386 1.00 0.00 C ATOM 0 H LEU A 56 6.590 17.866 2.653 1.00 0.00 H new ATOM 0 HA LEU A 56 5.955 16.738 4.547 1.00 0.00 H new ATOM 0 HB2 LEU A 56 4.014 19.022 4.375 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.172 17.988 5.781 1.00 0.00 H new ATOM 0 HG LEU A 56 5.464 19.861 6.293 1.00 0.00 H new ATOM 0 HD11 LEU A 56 7.798 19.089 6.342 1.00 0.00 H new ATOM 0 HD12 LEU A 56 6.656 17.798 6.787 1.00 0.00 H new ATOM 0 HD13 LEU A 56 7.396 17.813 5.169 1.00 0.00 H new ATOM 0 HD21 LEU A 56 7.102 20.899 4.785 1.00 0.00 H new ATOM 0 HD22 LEU A 56 6.656 19.741 3.510 1.00 0.00 H new ATOM 0 HD23 LEU A 56 5.459 20.916 4.103 1.00 0.00 H new ATOM 863 N ALA A 57 4.376 15.172 3.034 1.00 0.00 N ATOM 864 CA ALA A 57 3.433 14.104 2.747 1.00 0.00 C ATOM 865 C ALA A 57 3.777 12.882 3.601 1.00 0.00 C ATOM 866 O ALA A 57 4.871 12.796 4.157 1.00 0.00 O ATOM 867 CB ALA A 57 3.455 13.793 1.249 1.00 0.00 C ATOM 0 H ALA A 57 5.289 15.065 2.592 1.00 0.00 H new ATOM 0 HA ALA A 57 2.418 14.409 3.002 1.00 0.00 H new ATOM 0 HB1 ALA A 57 2.748 12.992 1.033 1.00 0.00 H new ATOM 0 HB2 ALA A 57 3.175 14.685 0.688 1.00 0.00 H new ATOM 0 HB3 ALA A 57 4.458 13.480 0.957 1.00 0.00 H new ATOM 873 N ARG A 58 2.822 11.967 3.679 1.00 0.00 N ATOM 874 CA ARG A 58 3.010 10.754 4.457 1.00 0.00 C ATOM 875 C ARG A 58 1.910 9.740 4.133 1.00 0.00 C ATOM 876 O ARG A 58 0.725 10.049 4.244 1.00 0.00 O ATOM 877 CB ARG A 58 2.993 11.053 5.957 1.00 0.00 C ATOM 878 CG ARG A 58 4.207 10.434 6.653 1.00 0.00 C ATOM 879 CD ARG A 58 5.079 11.513 7.297 1.00 0.00 C ATOM 880 NE ARG A 58 5.580 11.043 8.609 1.00 0.00 N ATOM 881 CZ ARG A 58 6.209 11.825 9.497 1.00 0.00 C ATOM 882 NH1 ARG A 58 6.417 13.119 9.220 1.00 0.00 N ATOM 883 NH2 ARG A 58 6.628 11.312 10.662 1.00 0.00 N ATOM 0 H ARG A 58 1.916 12.041 3.216 1.00 0.00 H new ATOM 0 HA ARG A 58 3.982 10.338 4.193 1.00 0.00 H new ATOM 0 HB2 ARG A 58 2.988 12.131 6.117 1.00 0.00 H new ATOM 0 HB3 ARG A 58 2.077 10.661 6.399 1.00 0.00 H new ATOM 0 HG2 ARG A 58 3.874 9.729 7.414 1.00 0.00 H new ATOM 0 HG3 ARG A 58 4.796 9.869 5.931 1.00 0.00 H new ATOM 0 HD2 ARG A 58 5.917 11.753 6.643 1.00 0.00 H new ATOM 0 HD3 ARG A 58 4.503 12.429 7.426 1.00 0.00 H new ATOM 0 HE ARG A 58 5.437 10.063 8.852 1.00 0.00 H new ATOM 0 HH11 ARG A 58 6.097 13.509 8.333 1.00 0.00 H new ATOM 0 HH12 ARG A 58 6.896 13.715 9.896 1.00 0.00 H new ATOM 0 HH21 ARG A 58 6.468 10.327 10.872 1.00 0.00 H new ATOM 0 HH22 ARG A 58 7.107 11.907 11.338 1.00 0.00 H new ATOM 897 N ALA A 59 2.343 8.551 3.740 1.00 0.00 N ATOM 898 CA ALA A 59 1.409 7.491 3.400 1.00 0.00 C ATOM 899 C ALA A 59 1.808 6.211 4.137 1.00 0.00 C ATOM 900 O ALA A 59 2.981 6.008 4.447 1.00 0.00 O ATOM 901 CB ALA A 59 1.380 7.304 1.881 1.00 0.00 C ATOM 0 H ALA A 59 3.327 8.298 3.650 1.00 0.00 H new ATOM 0 HA ALA A 59 0.399 7.753 3.716 1.00 0.00 H new ATOM 0 HB1 ALA A 59 0.679 6.509 1.626 1.00 0.00 H new ATOM 0 HB2 ALA A 59 1.064 8.233 1.406 1.00 0.00 H new ATOM 0 HB3 ALA A 59 2.376 7.037 1.528 1.00 0.00 H new ATOM 907 N PHE A 60 0.809 5.380 4.396 1.00 0.00 N ATOM 908 CA PHE A 60 1.041 4.125 5.091 1.00 0.00 C ATOM 909 C PHE A 60 0.075 3.043 4.605 1.00 0.00 C ATOM 910 O PHE A 60 -0.766 3.297 3.744 1.00 0.00 O ATOM 911 CB PHE A 60 0.791 4.384 6.578 1.00 0.00 C ATOM 912 CG PHE A 60 1.783 5.359 7.215 1.00 0.00 C ATOM 913 CD1 PHE A 60 3.019 4.927 7.585 1.00 0.00 C ATOM 914 CD2 PHE A 60 1.430 6.658 7.412 1.00 0.00 C ATOM 915 CE1 PHE A 60 3.940 5.832 8.176 1.00 0.00 C ATOM 916 CE2 PHE A 60 2.351 7.562 8.003 1.00 0.00 C ATOM 917 CZ PHE A 60 3.587 7.130 8.373 1.00 0.00 C ATOM 0 H PHE A 60 -0.163 5.551 4.137 1.00 0.00 H new ATOM 0 HA PHE A 60 2.057 3.778 4.904 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -0.219 4.775 6.703 1.00 0.00 H new ATOM 0 HB3 PHE A 60 0.834 3.436 7.114 1.00 0.00 H new ATOM 0 HD1 PHE A 60 3.300 3.896 7.429 1.00 0.00 H new ATOM 0 HD2 PHE A 60 0.449 7.001 7.119 1.00 0.00 H new ATOM 0 HE1 PHE A 60 4.921 5.489 8.469 1.00 0.00 H new ATOM 0 HE2 PHE A 60 2.071 8.593 8.159 1.00 0.00 H new ATOM 0 HZ PHE A 60 4.287 7.818 8.823 1.00 0.00 H new ATOM 927 N VAL A 61 0.227 1.858 5.178 1.00 0.00 N ATOM 928 CA VAL A 61 -0.621 0.736 4.814 1.00 0.00 C ATOM 929 C VAL A 61 -0.883 -0.123 6.053 1.00 0.00 C ATOM 930 O VAL A 61 -0.035 -0.216 6.939 1.00 0.00 O ATOM 931 CB VAL A 61 0.015 -0.050 3.666 1.00 0.00 C ATOM 932 CG1 VAL A 61 -0.193 0.666 2.330 1.00 0.00 C ATOM 933 CG2 VAL A 61 1.502 -0.299 3.929 1.00 0.00 C ATOM 0 H VAL A 61 0.925 1.651 5.892 1.00 0.00 H new ATOM 0 HA VAL A 61 -1.587 1.089 4.453 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.482 -1.019 3.608 1.00 0.00 H new ATOM 0 HG11 VAL A 61 0.269 0.086 1.531 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -1.260 0.768 2.134 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.264 1.655 2.372 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.930 -0.860 3.098 1.00 0.00 H new ATOM 0 HG22 VAL A 61 2.019 0.656 4.027 1.00 0.00 H new ATOM 0 HG23 VAL A 61 1.618 -0.871 4.850 1.00 0.00 H new ATOM 1059 N VAL A 70 -7.439 -3.862 2.895 1.00 0.00 N ATOM 1060 CA VAL A 70 -6.236 -3.054 2.994 1.00 0.00 C ATOM 1061 C VAL A 70 -6.623 -1.604 3.289 1.00 0.00 C ATOM 1062 O VAL A 70 -6.977 -0.855 2.380 1.00 0.00 O ATOM 1063 CB VAL A 70 -5.400 -3.202 1.721 1.00 0.00 C ATOM 1064 CG1 VAL A 70 -4.469 -2.002 1.534 1.00 0.00 C ATOM 1065 CG2 VAL A 70 -4.610 -4.512 1.733 1.00 0.00 C ATOM 0 HA VAL A 70 -5.612 -3.398 3.819 1.00 0.00 H new ATOM 0 HB VAL A 70 -6.084 -3.231 0.873 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -3.886 -2.132 0.622 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -5.061 -1.090 1.459 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -3.795 -1.928 2.388 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -4.025 -4.592 0.817 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -3.941 -4.526 2.594 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -5.301 -5.353 1.797 1.00 0.00 H new ATOM 1075 N ARG A 71 -6.543 -1.251 4.564 1.00 0.00 N ATOM 1076 CA ARG A 71 -6.881 0.096 4.990 1.00 0.00 C ATOM 1077 C ARG A 71 -5.728 1.054 4.686 1.00 0.00 C ATOM 1078 O ARG A 71 -4.798 1.185 5.481 1.00 0.00 O ATOM 1079 CB ARG A 71 -7.188 0.139 6.488 1.00 0.00 C ATOM 1080 CG ARG A 71 -8.662 -0.175 6.755 1.00 0.00 C ATOM 1081 CD ARG A 71 -8.810 -1.184 7.896 1.00 0.00 C ATOM 1082 NE ARG A 71 -9.657 -0.615 8.968 1.00 0.00 N ATOM 1083 CZ ARG A 71 -10.986 -0.469 8.877 1.00 0.00 C ATOM 1084 NH1 ARG A 71 -11.628 -0.849 7.764 1.00 0.00 N ATOM 1085 NH2 ARG A 71 -11.674 0.057 9.900 1.00 0.00 N ATOM 0 H ARG A 71 -6.249 -1.875 5.316 1.00 0.00 H new ATOM 0 HA ARG A 71 -7.769 0.405 4.439 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -6.559 -0.580 7.013 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -6.945 1.125 6.885 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -9.193 0.743 7.005 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -9.122 -0.573 5.851 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -9.254 -2.106 7.521 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -7.829 -1.441 8.295 1.00 0.00 H new ATOM 0 HE ARG A 71 -9.201 -0.315 9.830 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -11.105 -1.250 6.985 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -12.640 -0.738 7.695 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -11.186 0.346 10.748 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -12.686 0.168 9.831 1.00 0.00 H new ATOM 1099 N VAL A 72 -5.826 1.700 3.533 1.00 0.00 N ATOM 1100 CA VAL A 72 -4.802 2.642 3.114 1.00 0.00 C ATOM 1101 C VAL A 72 -4.973 3.952 3.887 1.00 0.00 C ATOM 1102 O VAL A 72 -6.095 4.373 4.161 1.00 0.00 O ATOM 1103 CB VAL A 72 -4.856 2.833 1.597 1.00 0.00 C ATOM 1104 CG1 VAL A 72 -4.115 4.104 1.177 1.00 0.00 C ATOM 1105 CG2 VAL A 72 -4.298 1.607 0.870 1.00 0.00 C ATOM 0 H VAL A 72 -6.599 1.590 2.876 1.00 0.00 H new ATOM 0 HA VAL A 72 -3.810 2.255 3.345 1.00 0.00 H new ATOM 0 HB VAL A 72 -5.902 2.945 1.311 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -4.169 4.216 0.094 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -4.576 4.969 1.654 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -3.071 4.035 1.483 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -4.348 1.769 -0.207 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -3.261 1.450 1.166 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -4.888 0.729 1.133 1.00 0.00 H new ATOM 1115 N TYR A 73 -3.842 4.559 4.217 1.00 0.00 N ATOM 1116 CA TYR A 73 -3.852 5.811 4.953 1.00 0.00 C ATOM 1117 C TYR A 73 -2.820 6.788 4.387 1.00 0.00 C ATOM 1118 O TYR A 73 -1.728 6.383 3.992 1.00 0.00 O ATOM 1119 CB TYR A 73 -3.468 5.458 6.391 1.00 0.00 C ATOM 1120 CG TYR A 73 -4.569 4.738 7.172 1.00 0.00 C ATOM 1121 CD1 TYR A 73 -5.657 5.446 7.641 1.00 0.00 C ATOM 1122 CD2 TYR A 73 -4.476 3.382 7.406 1.00 0.00 C ATOM 1123 CE1 TYR A 73 -6.694 4.769 8.376 1.00 0.00 C ATOM 1124 CE2 TYR A 73 -5.513 2.704 8.140 1.00 0.00 C ATOM 1125 CZ TYR A 73 -6.571 3.431 8.589 1.00 0.00 C ATOM 1126 OH TYR A 73 -7.550 2.792 9.282 1.00 0.00 O ATOM 0 H TYR A 73 -2.913 4.206 3.988 1.00 0.00 H new ATOM 0 HA TYR A 73 -4.830 6.287 4.887 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -2.578 4.829 6.374 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -3.201 6.373 6.920 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -5.731 6.508 7.457 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -3.625 2.828 7.038 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -7.550 5.311 8.750 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -5.452 1.643 8.330 1.00 0.00 H new ATOM 0 HH TYR A 73 -7.330 1.840 9.357 1.00 0.00 H new ATOM 1136 N ALA A 74 -3.203 8.057 4.365 1.00 0.00 N ATOM 1137 CA ALA A 74 -2.324 9.095 3.854 1.00 0.00 C ATOM 1138 C ALA A 74 -2.603 10.404 4.596 1.00 0.00 C ATOM 1139 O ALA A 74 -3.726 10.645 5.036 1.00 0.00 O ATOM 1140 CB ALA A 74 -2.518 9.229 2.342 1.00 0.00 C ATOM 0 H ALA A 74 -4.110 8.389 4.693 1.00 0.00 H new ATOM 0 HA ALA A 74 -1.280 8.834 4.027 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -1.859 10.008 1.958 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -2.280 8.281 1.859 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -3.554 9.494 2.130 1.00 0.00 H new ATOM 1146 N GLU A 75 -1.560 11.214 4.713 1.00 0.00 N ATOM 1147 CA GLU A 75 -1.679 12.492 5.394 1.00 0.00 C ATOM 1148 C GLU A 75 -0.541 13.424 4.974 1.00 0.00 C ATOM 1149 O GLU A 75 0.631 13.072 5.092 1.00 0.00 O ATOM 1150 CB GLU A 75 -1.701 12.304 6.912 1.00 0.00 C ATOM 1151 CG GLU A 75 -0.419 11.626 7.400 1.00 0.00 C ATOM 1152 CD GLU A 75 0.460 12.609 8.176 1.00 0.00 C ATOM 1153 OE1 GLU A 75 0.012 13.034 9.263 1.00 0.00 O ATOM 1154 OE2 GLU A 75 1.560 12.913 7.665 1.00 0.00 O ATOM 0 H GLU A 75 -0.630 11.010 4.348 1.00 0.00 H new ATOM 0 HA GLU A 75 -2.624 12.950 5.104 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -1.813 13.272 7.400 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -2.565 11.703 7.195 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -0.672 10.778 8.036 1.00 0.00 H new ATOM 0 HG3 GLU A 75 0.135 11.232 6.548 1.00 0.00 H new ATOM 1161 N ALA A 76 -0.927 14.596 4.491 1.00 0.00 N ATOM 1162 CA ALA A 76 0.046 15.582 4.053 1.00 0.00 C ATOM 1163 C ALA A 76 -0.248 16.921 4.734 1.00 0.00 C ATOM 1164 O ALA A 76 -1.094 16.996 5.624 1.00 0.00 O ATOM 1165 CB ALA A 76 0.015 15.686 2.527 1.00 0.00 C ATOM 0 H ALA A 76 -1.900 14.885 4.393 1.00 0.00 H new ATOM 0 HA ALA A 76 1.053 15.280 4.340 1.00 0.00 H new ATOM 0 HB1 ALA A 76 0.745 16.426 2.198 1.00 0.00 H new ATOM 0 HB2 ALA A 76 0.259 14.717 2.091 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -0.981 15.990 2.203 1.00 0.00 H new ATOM 1171 N ASN A 77 0.466 17.944 4.290 1.00 0.00 N ATOM 1172 CA ASN A 77 0.293 19.275 4.845 1.00 0.00 C ATOM 1173 C ASN A 77 -0.901 19.953 4.170 1.00 0.00 C ATOM 1174 O ASN A 77 -1.415 20.954 4.668 1.00 0.00 O ATOM 1175 CB ASN A 77 1.530 20.141 4.598 1.00 0.00 C ATOM 1176 CG ASN A 77 1.233 21.615 4.881 1.00 0.00 C ATOM 1177 OD1 ASN A 77 0.650 21.975 5.891 1.00 0.00 O ATOM 1178 ND2 ASN A 77 1.666 22.445 3.937 1.00 0.00 N ATOM 0 H ASN A 77 1.166 17.878 3.551 1.00 0.00 H new ATOM 0 HA ASN A 77 0.133 19.174 5.918 1.00 0.00 H new ATOM 0 HB2 ASN A 77 2.348 19.803 5.234 1.00 0.00 H new ATOM 0 HB3 ASN A 77 1.860 20.024 3.566 1.00 0.00 H new ATOM 0 HD21 ASN A 77 1.517 23.449 4.034 1.00 0.00 H new ATOM 0 HD22 ASN A 77 2.147 22.077 3.116 1.00 0.00 H new ATOM 1185 N SER A 78 -1.308 19.381 3.046 1.00 0.00 N ATOM 1186 CA SER A 78 -2.431 19.918 2.298 1.00 0.00 C ATOM 1187 C SER A 78 -3.446 18.810 2.011 1.00 0.00 C ATOM 1188 O SER A 78 -3.069 17.695 1.652 1.00 0.00 O ATOM 1189 CB SER A 78 -1.965 20.562 0.991 1.00 0.00 C ATOM 1190 OG SER A 78 -0.754 21.293 1.158 1.00 0.00 O ATOM 0 H SER A 78 -0.880 18.551 2.636 1.00 0.00 H new ATOM 0 HA SER A 78 -2.907 20.690 2.903 1.00 0.00 H new ATOM 0 HB2 SER A 78 -1.820 19.788 0.237 1.00 0.00 H new ATOM 0 HB3 SER A 78 -2.742 21.229 0.618 1.00 0.00 H new ATOM 0 HG SER A 78 -0.489 21.687 0.301 1.00 0.00 H new ATOM 1196 N GLN A 79 -4.715 19.154 2.179 1.00 0.00 N ATOM 1197 CA GLN A 79 -5.787 18.203 1.943 1.00 0.00 C ATOM 1198 C GLN A 79 -5.665 17.603 0.541 1.00 0.00 C ATOM 1199 O GLN A 79 -6.007 16.441 0.326 1.00 0.00 O ATOM 1200 CB GLN A 79 -7.155 18.857 2.143 1.00 0.00 C ATOM 1201 CG GLN A 79 -7.541 19.702 0.927 1.00 0.00 C ATOM 1202 CD GLN A 79 -8.741 20.598 1.240 1.00 0.00 C ATOM 1203 OE1 GLN A 79 -9.017 20.933 2.381 1.00 0.00 O ATOM 1204 NE2 GLN A 79 -9.437 20.965 0.168 1.00 0.00 N ATOM 0 H GLN A 79 -5.024 20.079 2.476 1.00 0.00 H new ATOM 0 HA GLN A 79 -5.698 17.397 2.671 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -7.909 18.088 2.310 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -7.136 19.484 3.035 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -6.694 20.316 0.623 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -7.779 19.049 0.087 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -9.151 20.649 -0.759 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -10.257 21.563 0.272 1.00 0.00 H new ATOM 1213 N GLU A 80 -5.176 18.423 -0.378 1.00 0.00 N ATOM 1214 CA GLU A 80 -5.005 17.989 -1.754 1.00 0.00 C ATOM 1215 C GLU A 80 -3.993 16.843 -1.827 1.00 0.00 C ATOM 1216 O GLU A 80 -4.347 15.720 -2.183 1.00 0.00 O ATOM 1217 CB GLU A 80 -4.578 19.154 -2.648 1.00 0.00 C ATOM 1218 CG GLU A 80 -5.583 19.374 -3.781 1.00 0.00 C ATOM 1219 CD GLU A 80 -4.915 20.040 -4.985 1.00 0.00 C ATOM 1220 OE1 GLU A 80 -4.765 21.280 -4.937 1.00 0.00 O ATOM 1221 OE2 GLU A 80 -4.568 19.294 -5.927 1.00 0.00 O ATOM 0 H GLU A 80 -4.893 19.386 -0.196 1.00 0.00 H new ATOM 0 HA GLU A 80 -5.965 17.625 -2.121 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -4.493 20.062 -2.052 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -3.592 18.953 -3.066 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -6.012 18.418 -4.082 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -6.405 19.996 -3.427 1.00 0.00 H new ATOM 1228 N SER A 81 -2.755 17.166 -1.483 1.00 0.00 N ATOM 1229 CA SER A 81 -1.690 16.178 -1.505 1.00 0.00 C ATOM 1230 C SER A 81 -2.153 14.894 -0.813 1.00 0.00 C ATOM 1231 O SER A 81 -2.114 13.816 -1.405 1.00 0.00 O ATOM 1232 CB SER A 81 -0.425 16.716 -0.834 1.00 0.00 C ATOM 1233 OG SER A 81 -0.642 17.988 -0.230 1.00 0.00 O ATOM 0 H SER A 81 -2.466 18.098 -1.187 1.00 0.00 H new ATOM 0 HA SER A 81 -1.451 15.957 -2.545 1.00 0.00 H new ATOM 0 HB2 SER A 81 -0.087 16.008 -0.077 1.00 0.00 H new ATOM 0 HB3 SER A 81 0.372 16.797 -1.574 1.00 0.00 H new ATOM 0 HG SER A 81 0.188 18.297 0.189 1.00 0.00 H new ATOM 1239 N ALA A 82 -2.582 15.052 0.431 1.00 0.00 N ATOM 1240 CA ALA A 82 -3.052 13.919 1.210 1.00 0.00 C ATOM 1241 C ALA A 82 -3.961 13.049 0.340 1.00 0.00 C ATOM 1242 O ALA A 82 -3.669 11.876 0.110 1.00 0.00 O ATOM 1243 CB ALA A 82 -3.759 14.424 2.469 1.00 0.00 C ATOM 0 H ALA A 82 -2.614 15.947 0.918 1.00 0.00 H new ATOM 0 HA ALA A 82 -2.214 13.301 1.532 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -4.112 13.574 3.054 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -3.062 15.012 3.067 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -4.608 15.046 2.185 1.00 0.00 H new ATOM 1249 N ASP A 83 -5.044 13.657 -0.121 1.00 0.00 N ATOM 1250 CA ASP A 83 -5.998 12.952 -0.961 1.00 0.00 C ATOM 1251 C ASP A 83 -5.289 12.454 -2.222 1.00 0.00 C ATOM 1252 O ASP A 83 -5.188 11.248 -2.446 1.00 0.00 O ATOM 1253 CB ASP A 83 -7.138 13.875 -1.393 1.00 0.00 C ATOM 1254 CG ASP A 83 -8.432 13.724 -0.591 1.00 0.00 C ATOM 1255 OD1 ASP A 83 -8.321 13.396 0.610 1.00 0.00 O ATOM 1256 OD2 ASP A 83 -9.504 13.940 -1.197 1.00 0.00 O ATOM 0 H ASP A 83 -5.282 14.630 0.071 1.00 0.00 H new ATOM 0 HA ASP A 83 -6.405 12.121 -0.385 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -6.798 14.908 -1.315 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -7.356 13.690 -2.445 1.00 0.00 H new ATOM 1261 N ARG A 84 -4.816 13.406 -3.012 1.00 0.00 N ATOM 1262 CA ARG A 84 -4.119 13.079 -4.244 1.00 0.00 C ATOM 1263 C ARG A 84 -3.210 11.866 -4.034 1.00 0.00 C ATOM 1264 O ARG A 84 -3.078 11.024 -4.921 1.00 0.00 O ATOM 1265 CB ARG A 84 -3.278 14.260 -4.732 1.00 0.00 C ATOM 1266 CG ARG A 84 -3.795 14.785 -6.073 1.00 0.00 C ATOM 1267 CD ARG A 84 -2.831 14.432 -7.208 1.00 0.00 C ATOM 1268 NE ARG A 84 -2.387 15.664 -7.896 1.00 0.00 N ATOM 1269 CZ ARG A 84 -1.681 16.640 -7.309 1.00 0.00 C ATOM 1270 NH1 ARG A 84 -1.334 16.533 -6.019 1.00 0.00 N ATOM 1271 NH2 ARG A 84 -1.321 17.722 -8.012 1.00 0.00 N ATOM 0 H ARG A 84 -4.902 14.405 -2.823 1.00 0.00 H new ATOM 0 HA ARG A 84 -4.871 12.848 -4.998 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -3.302 15.059 -3.991 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -2.237 13.952 -4.835 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -4.777 14.360 -6.280 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -3.920 15.867 -6.020 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -1.969 13.897 -6.811 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -3.321 13.765 -7.918 1.00 0.00 H new ATOM 0 HE ARG A 84 -2.634 15.778 -8.879 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -1.607 15.709 -5.484 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -0.797 17.276 -5.572 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -1.584 17.803 -8.994 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -0.784 18.465 -7.565 1.00 0.00 H new ATOM 1285 N LEU A 85 -2.608 11.815 -2.855 1.00 0.00 N ATOM 1286 CA LEU A 85 -1.715 10.720 -2.518 1.00 0.00 C ATOM 1287 C LEU A 85 -2.543 9.479 -2.178 1.00 0.00 C ATOM 1288 O LEU A 85 -2.536 8.500 -2.923 1.00 0.00 O ATOM 1289 CB LEU A 85 -0.750 11.138 -1.407 1.00 0.00 C ATOM 1290 CG LEU A 85 0.525 10.302 -1.276 1.00 0.00 C ATOM 1291 CD1 LEU A 85 1.493 10.594 -2.423 1.00 0.00 C ATOM 1292 CD2 LEU A 85 1.178 10.509 0.092 1.00 0.00 C ATOM 0 H LEU A 85 -2.721 12.514 -2.121 1.00 0.00 H new ATOM 0 HA LEU A 85 -1.089 10.462 -3.372 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -0.464 12.177 -1.573 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -1.283 11.102 -0.457 1.00 0.00 H new ATOM 0 HG LEU A 85 0.251 9.249 -1.346 1.00 0.00 H new ATOM 0 HD11 LEU A 85 2.390 9.987 -2.305 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.015 10.354 -3.373 1.00 0.00 H new ATOM 0 HD13 LEU A 85 1.765 11.649 -2.410 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.082 9.904 0.159 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.436 11.561 0.217 1.00 0.00 H new ATOM 0 HD23 LEU A 85 0.482 10.210 0.876 1.00 0.00 H new ATOM 1304 N ALA A 86 -3.238 9.560 -1.052 1.00 0.00 N ATOM 1305 CA ALA A 86 -4.069 8.456 -0.605 1.00 0.00 C ATOM 1306 C ALA A 86 -4.826 7.876 -1.801 1.00 0.00 C ATOM 1307 O ALA A 86 -4.846 6.662 -1.998 1.00 0.00 O ATOM 1308 CB ALA A 86 -5.009 8.940 0.501 1.00 0.00 C ATOM 0 H ALA A 86 -3.242 10.373 -0.437 1.00 0.00 H new ATOM 0 HA ALA A 86 -3.455 7.659 -0.186 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -5.633 8.112 0.837 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -4.422 9.315 1.339 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -5.643 9.739 0.116 1.00 0.00 H new ATOM 1314 N TYR A 87 -5.431 8.771 -2.569 1.00 0.00 N ATOM 1315 CA TYR A 87 -6.188 8.363 -3.740 1.00 0.00 C ATOM 1316 C TYR A 87 -5.369 7.415 -4.619 1.00 0.00 C ATOM 1317 O TYR A 87 -5.689 6.233 -4.729 1.00 0.00 O ATOM 1318 CB TYR A 87 -6.475 9.645 -4.524 1.00 0.00 C ATOM 1319 CG TYR A 87 -6.738 9.418 -6.014 1.00 0.00 C ATOM 1320 CD1 TYR A 87 -7.734 8.551 -6.414 1.00 0.00 C ATOM 1321 CD2 TYR A 87 -5.979 10.080 -6.957 1.00 0.00 C ATOM 1322 CE1 TYR A 87 -7.982 8.337 -7.817 1.00 0.00 C ATOM 1323 CE2 TYR A 87 -6.226 9.866 -8.360 1.00 0.00 C ATOM 1324 CZ TYR A 87 -7.215 9.005 -8.720 1.00 0.00 C ATOM 1325 OH TYR A 87 -7.449 8.804 -10.045 1.00 0.00 O ATOM 0 H TYR A 87 -5.412 9.777 -2.403 1.00 0.00 H new ATOM 0 HA TYR A 87 -7.098 7.840 -3.446 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -7.340 10.141 -4.084 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -5.629 10.323 -4.414 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -8.328 8.033 -5.675 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -5.200 10.759 -6.643 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -8.759 7.662 -8.144 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -5.639 10.378 -9.109 1.00 0.00 H new ATOM 0 HH TYR A 87 -6.827 9.347 -10.573 1.00 0.00 H new ATOM 1335 N GLU A 88 -4.328 7.970 -5.222 1.00 0.00 N ATOM 1336 CA GLU A 88 -3.461 7.189 -6.088 1.00 0.00 C ATOM 1337 C GLU A 88 -2.953 5.949 -5.351 1.00 0.00 C ATOM 1338 O GLU A 88 -3.063 4.833 -5.856 1.00 0.00 O ATOM 1339 CB GLU A 88 -2.295 8.035 -6.605 1.00 0.00 C ATOM 1340 CG GLU A 88 -2.794 9.148 -7.529 1.00 0.00 C ATOM 1341 CD GLU A 88 -1.804 9.399 -8.669 1.00 0.00 C ATOM 1342 OE1 GLU A 88 -0.603 9.550 -8.355 1.00 0.00 O ATOM 1343 OE2 GLU A 88 -2.270 9.433 -9.828 1.00 0.00 O ATOM 0 H GLU A 88 -4.065 8.951 -5.128 1.00 0.00 H new ATOM 0 HA GLU A 88 -4.041 6.863 -6.951 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -1.755 8.470 -5.764 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -1.590 7.400 -7.142 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -3.766 8.876 -7.940 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -2.935 10.065 -6.957 1.00 0.00 H new ATOM 1350 N VAL A 89 -2.406 6.185 -4.167 1.00 0.00 N ATOM 1351 CA VAL A 89 -1.881 5.101 -3.355 1.00 0.00 C ATOM 1352 C VAL A 89 -2.821 3.897 -3.449 1.00 0.00 C ATOM 1353 O VAL A 89 -2.412 2.817 -3.871 1.00 0.00 O ATOM 1354 CB VAL A 89 -1.665 5.580 -1.918 1.00 0.00 C ATOM 1355 CG1 VAL A 89 -1.339 4.407 -0.992 1.00 0.00 C ATOM 1356 CG2 VAL A 89 -0.572 6.649 -1.855 1.00 0.00 C ATOM 0 H VAL A 89 -2.315 7.112 -3.751 1.00 0.00 H new ATOM 0 HA VAL A 89 -0.907 4.783 -3.727 1.00 0.00 H new ATOM 0 HB VAL A 89 -2.595 6.031 -1.572 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.190 4.775 0.023 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -2.164 3.695 -1.002 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -0.430 3.914 -1.336 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -0.438 6.972 -0.823 1.00 0.00 H new ATOM 0 HG22 VAL A 89 0.364 6.235 -2.230 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -0.862 7.502 -2.468 1.00 0.00 H new ATOM 1366 N SER A 90 -4.063 4.125 -3.048 1.00 0.00 N ATOM 1367 CA SER A 90 -5.065 3.072 -3.081 1.00 0.00 C ATOM 1368 C SER A 90 -5.079 2.407 -4.459 1.00 0.00 C ATOM 1369 O SER A 90 -5.171 1.185 -4.561 1.00 0.00 O ATOM 1370 CB SER A 90 -6.452 3.621 -2.743 1.00 0.00 C ATOM 1371 OG SER A 90 -6.485 5.046 -2.776 1.00 0.00 O ATOM 0 H SER A 90 -4.399 5.023 -2.699 1.00 0.00 H new ATOM 0 HA SER A 90 -4.805 2.328 -2.328 1.00 0.00 H new ATOM 0 HB2 SER A 90 -7.181 3.225 -3.450 1.00 0.00 H new ATOM 0 HB3 SER A 90 -6.748 3.274 -1.753 1.00 0.00 H new ATOM 0 HG SER A 90 -6.392 5.354 -3.702 1.00 0.00 H new ATOM 1377 N LEU A 91 -4.986 3.241 -5.484 1.00 0.00 N ATOM 1378 CA LEU A 91 -4.987 2.749 -6.852 1.00 0.00 C ATOM 1379 C LEU A 91 -3.735 1.901 -7.085 1.00 0.00 C ATOM 1380 O LEU A 91 -3.789 0.885 -7.776 1.00 0.00 O ATOM 1381 CB LEU A 91 -5.137 3.909 -7.838 1.00 0.00 C ATOM 1382 CG LEU A 91 -6.294 4.873 -7.570 1.00 0.00 C ATOM 1383 CD1 LEU A 91 -6.782 5.520 -8.868 1.00 0.00 C ATOM 1384 CD2 LEU A 91 -7.427 4.173 -6.817 1.00 0.00 C ATOM 0 H LEU A 91 -4.909 4.254 -5.395 1.00 0.00 H new ATOM 0 HA LEU A 91 -5.847 2.102 -7.024 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -4.208 4.480 -7.841 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -5.260 3.495 -8.839 1.00 0.00 H new ATOM 0 HG LEU A 91 -5.928 5.675 -6.929 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -7.605 6.200 -8.648 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -5.964 6.075 -9.327 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -7.125 4.746 -9.554 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -8.237 4.880 -6.639 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -7.798 3.338 -7.412 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -7.054 3.801 -5.863 1.00 0.00 H new ATOM 1396 N LEU A 92 -2.637 2.350 -6.495 1.00 0.00 N ATOM 1397 CA LEU A 92 -1.374 1.645 -6.630 1.00 0.00 C ATOM 1398 C LEU A 92 -1.520 0.232 -6.061 1.00 0.00 C ATOM 1399 O LEU A 92 -1.339 -0.751 -6.777 1.00 0.00 O ATOM 1400 CB LEU A 92 -0.240 2.450 -5.993 1.00 0.00 C ATOM 1401 CG LEU A 92 0.386 3.537 -6.869 1.00 0.00 C ATOM 1402 CD1 LEU A 92 1.308 4.441 -6.048 1.00 0.00 C ATOM 1403 CD2 LEU A 92 1.106 2.925 -8.072 1.00 0.00 C ATOM 0 H LEU A 92 -2.596 3.193 -5.922 1.00 0.00 H new ATOM 0 HA LEU A 92 -1.107 1.540 -7.682 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -0.619 2.917 -5.084 1.00 0.00 H new ATOM 0 HB3 LEU A 92 0.546 1.757 -5.691 1.00 0.00 H new ATOM 0 HG LEU A 92 -0.416 4.164 -7.259 1.00 0.00 H new ATOM 0 HD11 LEU A 92 1.740 5.205 -6.695 1.00 0.00 H new ATOM 0 HD12 LEU A 92 0.735 4.920 -5.254 1.00 0.00 H new ATOM 0 HD13 LEU A 92 2.107 3.843 -5.609 1.00 0.00 H new ATOM 0 HD21 LEU A 92 1.542 3.719 -8.678 1.00 0.00 H new ATOM 0 HD22 LEU A 92 1.896 2.260 -7.723 1.00 0.00 H new ATOM 0 HD23 LEU A 92 0.394 2.359 -8.673 1.00 0.00 H new ATOM 1415 N VAL A 93 -1.845 0.176 -4.778 1.00 0.00 N ATOM 1416 CA VAL A 93 -2.017 -1.100 -4.104 1.00 0.00 C ATOM 1417 C VAL A 93 -2.740 -2.071 -5.039 1.00 0.00 C ATOM 1418 O VAL A 93 -2.334 -3.224 -5.177 1.00 0.00 O ATOM 1419 CB VAL A 93 -2.746 -0.895 -2.774 1.00 0.00 C ATOM 1420 CG1 VAL A 93 -2.641 -2.142 -1.894 1.00 0.00 C ATOM 1421 CG2 VAL A 93 -2.215 0.339 -2.042 1.00 0.00 C ATOM 0 H VAL A 93 -1.994 0.994 -4.187 1.00 0.00 H new ATOM 0 HA VAL A 93 -1.049 -1.540 -3.864 1.00 0.00 H new ATOM 0 HB VAL A 93 -3.801 -0.727 -2.992 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -3.167 -1.970 -0.955 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -3.089 -2.991 -2.411 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -1.592 -2.355 -1.688 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -2.750 0.462 -1.100 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -1.151 0.213 -1.841 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -2.365 1.223 -2.662 1.00 0.00 H new ATOM 1431 N PHE A 94 -3.800 -1.570 -5.656 1.00 0.00 N ATOM 1432 CA PHE A 94 -4.584 -2.380 -6.573 1.00 0.00 C ATOM 1433 C PHE A 94 -3.688 -3.048 -7.618 1.00 0.00 C ATOM 1434 O PHE A 94 -3.826 -4.240 -7.889 1.00 0.00 O ATOM 1435 CB PHE A 94 -5.558 -1.436 -7.283 1.00 0.00 C ATOM 1436 CG PHE A 94 -6.769 -2.140 -7.898 1.00 0.00 C ATOM 1437 CD1 PHE A 94 -6.588 -3.135 -8.807 1.00 0.00 C ATOM 1438 CD2 PHE A 94 -8.027 -1.769 -7.537 1.00 0.00 C ATOM 1439 CE1 PHE A 94 -7.712 -3.788 -9.378 1.00 0.00 C ATOM 1440 CE2 PHE A 94 -9.151 -2.422 -8.108 1.00 0.00 C ATOM 1441 CZ PHE A 94 -8.970 -3.418 -9.016 1.00 0.00 C ATOM 0 H PHE A 94 -4.134 -0.613 -5.539 1.00 0.00 H new ATOM 0 HA PHE A 94 -5.104 -3.165 -6.024 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -5.908 -0.689 -6.571 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -5.023 -0.902 -8.069 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -5.589 -3.429 -9.095 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -8.171 -0.978 -6.816 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -7.568 -4.578 -10.100 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -10.150 -2.128 -7.821 1.00 0.00 H new ATOM 0 HZ PHE A 94 -9.825 -3.915 -9.450 1.00 0.00 H new ATOM 1451 N GLN A 95 -2.788 -2.251 -8.176 1.00 0.00 N ATOM 1452 CA GLN A 95 -1.869 -2.750 -9.184 1.00 0.00 C ATOM 1453 C GLN A 95 -0.684 -3.456 -8.520 1.00 0.00 C ATOM 1454 O GLN A 95 -0.300 -4.550 -8.930 1.00 0.00 O ATOM 1455 CB GLN A 95 -1.392 -1.620 -10.099 1.00 0.00 C ATOM 1456 CG GLN A 95 -0.060 -1.046 -9.612 1.00 0.00 C ATOM 1457 CD GLN A 95 0.448 0.042 -10.561 1.00 0.00 C ATOM 1458 OE1 GLN A 95 -0.265 0.958 -10.934 1.00 0.00 O ATOM 1459 NE2 GLN A 95 1.717 -0.111 -10.929 1.00 0.00 N ATOM 0 H GLN A 95 -2.676 -1.263 -7.949 1.00 0.00 H new ATOM 0 HA GLN A 95 -2.398 -3.475 -9.803 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -1.281 -1.994 -11.117 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -2.143 -0.830 -10.130 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -0.182 -0.632 -8.611 1.00 0.00 H new ATOM 0 HG3 GLN A 95 0.679 -1.844 -9.539 1.00 0.00 H new ATOM 0 HE21 GLN A 95 2.258 -0.902 -10.579 1.00 0.00 H new ATOM 0 HE22 GLN A 95 2.149 0.563 -11.561 1.00 0.00 H new ATOM 1468 N LEU A 96 -0.138 -2.800 -7.507 1.00 0.00 N ATOM 1469 CA LEU A 96 0.994 -3.350 -6.782 1.00 0.00 C ATOM 1470 C LEU A 96 0.628 -4.736 -6.249 1.00 0.00 C ATOM 1471 O LEU A 96 0.992 -5.750 -6.843 1.00 0.00 O ATOM 1472 CB LEU A 96 1.461 -2.377 -5.698 1.00 0.00 C ATOM 1473 CG LEU A 96 2.666 -1.504 -6.053 1.00 0.00 C ATOM 1474 CD1 LEU A 96 3.961 -2.108 -5.505 1.00 0.00 C ATOM 1475 CD2 LEU A 96 2.741 -1.260 -7.561 1.00 0.00 C ATOM 0 H LEU A 96 -0.459 -1.892 -7.171 1.00 0.00 H new ATOM 0 HA LEU A 96 1.846 -3.480 -7.449 1.00 0.00 H new ATOM 0 HB2 LEU A 96 0.627 -1.723 -5.441 1.00 0.00 H new ATOM 0 HB3 LEU A 96 1.704 -2.950 -4.803 1.00 0.00 H new ATOM 0 HG LEU A 96 2.536 -0.533 -5.576 1.00 0.00 H new ATOM 0 HD11 LEU A 96 4.802 -1.468 -5.771 1.00 0.00 H new ATOM 0 HD12 LEU A 96 3.895 -2.187 -4.420 1.00 0.00 H new ATOM 0 HD13 LEU A 96 4.110 -3.099 -5.933 1.00 0.00 H new ATOM 0 HD21 LEU A 96 3.606 -0.637 -7.786 1.00 0.00 H new ATOM 0 HD22 LEU A 96 2.836 -2.214 -8.080 1.00 0.00 H new ATOM 0 HD23 LEU A 96 1.834 -0.755 -7.893 1.00 0.00 H new ATOM 1487 N ALA A 97 -0.087 -4.736 -5.133 1.00 0.00 N ATOM 1488 CA ALA A 97 -0.506 -5.981 -4.513 1.00 0.00 C ATOM 1489 C ALA A 97 -1.340 -6.787 -5.510 1.00 0.00 C ATOM 1490 O ALA A 97 -0.895 -7.822 -6.004 1.00 0.00 O ATOM 1491 CB ALA A 97 -1.272 -5.677 -3.224 1.00 0.00 C ATOM 0 H ALA A 97 -0.386 -3.893 -4.643 1.00 0.00 H new ATOM 0 HA ALA A 97 0.360 -6.585 -4.243 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -1.586 -6.611 -2.759 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -0.626 -5.129 -2.538 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -2.150 -5.074 -3.456 1.00 0.00 H new ATOM 1497 N GLY A 98 -2.536 -6.282 -5.777 1.00 0.00 N ATOM 1498 CA GLY A 98 -3.437 -6.943 -6.707 1.00 0.00 C ATOM 1499 C GLY A 98 -4.872 -6.938 -6.177 1.00 0.00 C ATOM 1500 O GLY A 98 -5.360 -7.955 -5.687 1.00 0.00 O ATOM 0 H GLY A 98 -2.902 -5.423 -5.366 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -3.401 -6.440 -7.673 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -3.109 -7.970 -6.869 1.00 0.00 H new ATOM 1504 N GLY A 99 -5.507 -5.781 -6.292 1.00 0.00 N ATOM 1505 CA GLY A 99 -6.877 -5.630 -5.830 1.00 0.00 C ATOM 1506 C GLY A 99 -7.834 -6.484 -6.664 1.00 0.00 C ATOM 1507 O GLY A 99 -7.406 -7.196 -7.572 1.00 0.00 O ATOM 0 H GLY A 99 -5.099 -4.939 -6.698 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -6.945 -5.920 -4.781 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -7.172 -4.582 -5.891 1.00 0.00 H new ATOM 1511 N ILE A 100 -9.111 -6.385 -6.327 1.00 0.00 N ATOM 1512 CA ILE A 100 -10.132 -7.140 -7.034 1.00 0.00 C ATOM 1513 C ILE A 100 -11.456 -6.375 -6.978 1.00 0.00 C ATOM 1514 O ILE A 100 -11.814 -5.821 -5.940 1.00 0.00 O ATOM 1515 CB ILE A 100 -10.222 -8.565 -6.483 1.00 0.00 C ATOM 1516 CG1 ILE A 100 -10.754 -8.566 -5.049 1.00 0.00 C ATOM 1517 CG2 ILE A 100 -8.875 -9.282 -6.596 1.00 0.00 C ATOM 1518 CD1 ILE A 100 -11.469 -9.881 -4.731 1.00 0.00 C ATOM 0 H ILE A 100 -9.462 -5.794 -5.574 1.00 0.00 H new ATOM 0 HA ILE A 100 -9.868 -7.245 -8.086 1.00 0.00 H new ATOM 0 HB ILE A 100 -10.935 -9.122 -7.091 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -9.930 -8.418 -4.351 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -11.442 -7.731 -4.912 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -8.966 -10.292 -6.198 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -8.575 -9.330 -7.643 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -8.123 -8.735 -6.028 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -11.838 -9.856 -3.706 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -12.307 -10.014 -5.415 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -10.772 -10.711 -4.846 1.00 0.00 H new