USER MOD reduce.3.24.130724 H: found=0, std=0, add=566, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 568 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 55 ASN : amide:sc= 0 X(o=0,f=0.0032) USER MOD Set 1.2: A 58 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 45 THR OG1 : rot 19:sc= -0.0431 USER MOD Set 2.2: A 74 THR OG1 : rot -140:sc= -1.14 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.107 USER MOD Single : A 25 THR OG1 : rot 37:sc= 0.232 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -178:sc= -0.468 (180deg=-0.511) USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=-0.093) USER MOD Single : A 57 ASN : amide:sc= -0.21 K(o=-0.21,f=-2!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.0984 USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=-0.064) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 174:sc= -1.33 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 ASN : amide:sc= -0.0221 X(o=-0.022,f=0) USER MOD Single : A 84 GLN : amide:sc= -0.388 X(o=-0.39,f=-0.38) USER MOD Single : A 85 SER OG : rot 41:sc= 0.109 USER MOD Single : A 86 GLN : amide:sc= -3.38! C(o=-3.4!,f=-5.2!) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 ASN : amide:sc= -0.0373 K(o=-0.037,f=-0.79) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 105 N ALA A 11 5.280 3.869 2.416 1.00 0.00 N ATOM 106 CA ALA A 11 3.972 3.417 1.958 1.00 0.00 C ATOM 107 C ALA A 11 3.075 4.599 1.607 1.00 0.00 C ATOM 108 O ALA A 11 1.856 4.533 1.760 1.00 0.00 O ATOM 109 CB ALA A 11 3.313 2.548 3.019 1.00 0.00 C ATOM 0 HA ALA A 11 4.115 2.823 1.055 1.00 0.00 H new ATOM 0 HB1 ALA A 11 2.337 2.217 2.664 1.00 0.00 H new ATOM 0 HB2 ALA A 11 3.940 1.679 3.218 1.00 0.00 H new ATOM 0 HB3 ALA A 11 3.189 3.124 3.936 1.00 0.00 H new ATOM 115 N GLY A 12 3.687 5.682 1.135 1.00 0.00 N ATOM 116 CA GLY A 12 2.928 6.863 0.771 1.00 0.00 C ATOM 117 C GLY A 12 2.114 7.409 1.927 1.00 0.00 C ATOM 118 O GLY A 12 1.901 6.737 2.936 1.00 0.00 O ATOM 0 H GLY A 12 4.695 5.761 0.999 1.00 0.00 H new ATOM 0 HA2 GLY A 12 3.611 7.635 0.415 1.00 0.00 H new ATOM 0 HA3 GLY A 12 2.261 6.622 -0.057 1.00 0.00 H new ATOM 122 N PRO A 13 1.644 8.658 1.788 1.00 0.00 N ATOM 123 CA PRO A 13 0.842 9.322 2.820 1.00 0.00 C ATOM 124 C PRO A 13 -0.547 8.709 2.958 1.00 0.00 C ATOM 125 O PRO A 13 -0.883 7.747 2.268 1.00 0.00 O ATOM 126 CB PRO A 13 0.744 10.765 2.319 1.00 0.00 C ATOM 127 CG PRO A 13 0.916 10.666 0.843 1.00 0.00 C ATOM 128 CD PRO A 13 1.859 9.517 0.612 1.00 0.00 C ATOM 0 HA PRO A 13 1.292 9.230 3.809 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -0.218 11.209 2.577 1.00 0.00 H new ATOM 0 HB3 PRO A 13 1.515 11.393 2.766 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -0.040 10.491 0.350 1.00 0.00 H new ATOM 0 HG3 PRO A 13 1.321 11.592 0.434 1.00 0.00 H new ATOM 0 HD2 PRO A 13 1.633 8.992 -0.316 1.00 0.00 H new ATOM 0 HD3 PRO A 13 2.893 9.854 0.544 1.00 0.00 H new ATOM 136 N ASP A 14 -1.351 9.273 3.853 1.00 0.00 N ATOM 137 CA ASP A 14 -2.705 8.783 4.080 1.00 0.00 C ATOM 138 C ASP A 14 -3.436 8.572 2.758 1.00 0.00 C ATOM 139 O ASP A 14 -3.264 9.341 1.811 1.00 0.00 O ATOM 140 CB ASP A 14 -3.485 9.765 4.957 1.00 0.00 C ATOM 141 CG ASP A 14 -4.108 10.890 4.154 1.00 0.00 C ATOM 142 OD1 ASP A 14 -3.357 11.772 3.688 1.00 0.00 O ATOM 143 OD2 ASP A 14 -5.347 10.888 3.991 1.00 0.00 O ATOM 0 H ASP A 14 -1.088 10.070 4.433 1.00 0.00 H new ATOM 0 HA ASP A 14 -2.636 7.824 4.593 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -4.268 9.227 5.491 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -2.817 10.186 5.709 1.00 0.00 H new ATOM 148 N LYS A 15 -4.252 7.525 2.699 1.00 0.00 N ATOM 149 CA LYS A 15 -5.009 7.212 1.493 1.00 0.00 C ATOM 150 C LYS A 15 -6.507 7.373 1.734 1.00 0.00 C ATOM 151 O LYS A 15 -7.085 6.690 2.579 1.00 0.00 O ATOM 152 CB LYS A 15 -4.707 5.784 1.033 1.00 0.00 C ATOM 153 CG LYS A 15 -3.317 5.617 0.443 1.00 0.00 C ATOM 154 CD LYS A 15 -3.275 6.038 -1.016 1.00 0.00 C ATOM 155 CE LYS A 15 -1.873 6.450 -1.438 1.00 0.00 C ATOM 156 NZ LYS A 15 -1.620 7.895 -1.184 1.00 0.00 N ATOM 0 H LYS A 15 -4.406 6.879 3.473 1.00 0.00 H new ATOM 0 HA LYS A 15 -4.707 7.911 0.713 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -4.817 5.107 1.880 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -5.446 5.486 0.290 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -2.605 6.212 1.015 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -3.006 4.576 0.531 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -3.618 5.215 -1.643 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -3.963 6.868 -1.176 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -1.140 5.852 -0.896 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -1.736 6.238 -2.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -0.654 8.136 -1.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -2.303 8.467 -1.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -1.726 8.093 -0.168 1.00 0.00 H new ATOM 170 N GLU A 16 -7.128 8.279 0.986 1.00 0.00 N ATOM 171 CA GLU A 16 -8.559 8.528 1.119 1.00 0.00 C ATOM 172 C GLU A 16 -9.285 8.246 -0.193 1.00 0.00 C ATOM 173 O GLU A 16 -8.920 8.775 -1.244 1.00 0.00 O ATOM 174 CB GLU A 16 -8.809 9.973 1.553 1.00 0.00 C ATOM 175 CG GLU A 16 -10.168 10.188 2.199 1.00 0.00 C ATOM 176 CD GLU A 16 -11.242 10.551 1.191 1.00 0.00 C ATOM 177 OE1 GLU A 16 -11.123 11.620 0.557 1.00 0.00 O ATOM 178 OE2 GLU A 16 -12.201 9.766 1.037 1.00 0.00 O ATOM 0 H GLU A 16 -6.663 8.853 0.282 1.00 0.00 H new ATOM 0 HA GLU A 16 -8.950 7.854 1.882 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -8.031 10.272 2.255 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -8.722 10.625 0.684 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -10.462 9.281 2.728 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -10.091 10.980 2.944 1.00 0.00 H new ATOM 185 N LEU A 17 -10.314 7.408 -0.125 1.00 0.00 N ATOM 186 CA LEU A 17 -11.092 7.054 -1.307 1.00 0.00 C ATOM 187 C LEU A 17 -12.578 7.314 -1.078 1.00 0.00 C ATOM 188 O LEU A 17 -13.081 7.168 0.036 1.00 0.00 O ATOM 189 CB LEU A 17 -10.869 5.585 -1.667 1.00 0.00 C ATOM 190 CG LEU A 17 -9.415 5.112 -1.685 1.00 0.00 C ATOM 191 CD1 LEU A 17 -9.342 3.604 -1.503 1.00 0.00 C ATOM 192 CD2 LEU A 17 -8.735 5.527 -2.982 1.00 0.00 C ATOM 0 H LEU A 17 -10.629 6.961 0.736 1.00 0.00 H new ATOM 0 HA LEU A 17 -10.756 7.679 -2.134 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -11.422 4.970 -0.957 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -11.302 5.403 -2.651 1.00 0.00 H new ATOM 0 HG LEU A 17 -8.890 5.584 -0.855 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -8.300 3.286 -1.518 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -9.791 3.331 -0.548 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -9.883 3.113 -2.312 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -7.701 5.182 -2.977 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -9.262 5.084 -3.827 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -8.755 6.613 -3.072 1.00 0.00 H new ATOM 204 N THR A 18 -13.277 7.697 -2.142 1.00 0.00 N ATOM 205 CA THR A 18 -14.705 7.975 -2.059 1.00 0.00 C ATOM 206 C THR A 18 -15.479 7.200 -3.118 1.00 0.00 C ATOM 207 O THR A 18 -15.214 7.329 -4.314 1.00 0.00 O ATOM 208 CB THR A 18 -14.995 9.479 -2.225 1.00 0.00 C ATOM 209 OG1 THR A 18 -14.188 10.237 -1.317 1.00 0.00 O ATOM 210 CG2 THR A 18 -16.466 9.777 -1.975 1.00 0.00 C ATOM 0 H THR A 18 -12.877 7.822 -3.072 1.00 0.00 H new ATOM 0 HA THR A 18 -15.032 7.656 -1.069 1.00 0.00 H new ATOM 0 HB THR A 18 -14.752 9.763 -3.249 1.00 0.00 H new ATOM 0 HG1 THR A 18 -14.377 11.192 -1.430 1.00 0.00 H new ATOM 0 HG21 THR A 18 -16.647 10.845 -2.098 1.00 0.00 H new ATOM 0 HG22 THR A 18 -17.076 9.221 -2.687 1.00 0.00 H new ATOM 0 HG23 THR A 18 -16.730 9.479 -0.961 1.00 0.00 H new ATOM 218 N LEU A 19 -16.438 6.395 -2.673 1.00 0.00 N ATOM 219 CA LEU A 19 -17.252 5.598 -3.584 1.00 0.00 C ATOM 220 C LEU A 19 -17.710 6.432 -4.776 1.00 0.00 C ATOM 221 O LEU A 19 -17.753 7.662 -4.725 1.00 0.00 O ATOM 222 CB LEU A 19 -18.467 5.029 -2.849 1.00 0.00 C ATOM 223 CG LEU A 19 -18.240 3.721 -2.091 1.00 0.00 C ATOM 224 CD1 LEU A 19 -17.994 2.577 -3.062 1.00 0.00 C ATOM 225 CD2 LEU A 19 -17.075 3.861 -1.122 1.00 0.00 C ATOM 0 H LEU A 19 -16.671 6.277 -1.687 1.00 0.00 H new ATOM 0 HA LEU A 19 -16.640 4.775 -3.953 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -18.823 5.778 -2.142 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -19.265 4.871 -3.575 1.00 0.00 H new ATOM 0 HG LEU A 19 -19.139 3.496 -1.517 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -17.834 1.654 -2.504 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -18.859 2.461 -3.715 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -17.112 2.794 -3.664 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -16.928 2.920 -0.591 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -16.170 4.111 -1.675 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -17.292 4.652 -0.404 1.00 0.00 H new ATOM 237 N PRO A 20 -18.062 5.750 -5.876 1.00 0.00 N ATOM 238 CA PRO A 20 -18.014 4.287 -5.949 1.00 0.00 C ATOM 239 C PRO A 20 -16.586 3.753 -5.957 1.00 0.00 C ATOM 240 O PRO A 20 -16.362 2.547 -5.855 1.00 0.00 O ATOM 241 CB PRO A 20 -18.709 3.975 -7.277 1.00 0.00 C ATOM 242 CG PRO A 20 -18.522 5.203 -8.100 1.00 0.00 C ATOM 243 CD PRO A 20 -18.534 6.355 -7.133 1.00 0.00 C ATOM 0 HA PRO A 20 -18.487 3.820 -5.085 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -18.267 3.104 -7.760 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -19.766 3.755 -7.128 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -17.582 5.165 -8.650 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -19.319 5.304 -8.837 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -17.879 7.162 -7.461 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -19.532 6.779 -7.025 1.00 0.00 H new ATOM 251 N VAL A 21 -15.621 4.660 -6.078 1.00 0.00 N ATOM 252 CA VAL A 21 -14.213 4.280 -6.097 1.00 0.00 C ATOM 253 C VAL A 21 -13.918 3.211 -5.050 1.00 0.00 C ATOM 254 O VAL A 21 -13.964 3.475 -3.849 1.00 0.00 O ATOM 255 CB VAL A 21 -13.301 5.495 -5.845 1.00 0.00 C ATOM 256 CG1 VAL A 21 -11.841 5.069 -5.814 1.00 0.00 C ATOM 257 CG2 VAL A 21 -13.531 6.562 -6.905 1.00 0.00 C ATOM 0 H VAL A 21 -15.789 5.662 -6.164 1.00 0.00 H new ATOM 0 HA VAL A 21 -14.006 3.879 -7.089 1.00 0.00 H new ATOM 0 HB VAL A 21 -13.551 5.920 -4.873 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -11.211 5.941 -5.635 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -11.691 4.343 -5.015 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -11.573 4.618 -6.770 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -12.879 7.413 -6.712 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -13.309 6.151 -7.890 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -14.571 6.887 -6.874 1.00 0.00 H new ATOM 267 N ASP A 22 -13.615 2.004 -5.515 1.00 0.00 N ATOM 268 CA ASP A 22 -13.310 0.895 -4.619 1.00 0.00 C ATOM 269 C ASP A 22 -11.983 0.242 -4.994 1.00 0.00 C ATOM 270 O ASP A 22 -11.810 -0.967 -4.842 1.00 0.00 O ATOM 271 CB ASP A 22 -14.433 -0.144 -4.658 1.00 0.00 C ATOM 272 CG ASP A 22 -14.639 -0.721 -6.045 1.00 0.00 C ATOM 273 OD1 ASP A 22 -13.670 -0.735 -6.832 1.00 0.00 O ATOM 274 OD2 ASP A 22 -15.770 -1.159 -6.342 1.00 0.00 O ATOM 0 H ASP A 22 -13.574 1.769 -6.507 1.00 0.00 H new ATOM 0 HA ASP A 22 -13.226 1.291 -3.607 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -14.202 -0.951 -3.962 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -15.361 0.315 -4.317 1.00 0.00 H new ATOM 279 N SER A 23 -11.050 1.051 -5.486 1.00 0.00 N ATOM 280 CA SER A 23 -9.740 0.551 -5.887 1.00 0.00 C ATOM 281 C SER A 23 -8.699 1.666 -5.850 1.00 0.00 C ATOM 282 O SER A 23 -8.959 2.790 -6.281 1.00 0.00 O ATOM 283 CB SER A 23 -9.810 -0.051 -7.292 1.00 0.00 C ATOM 284 OG SER A 23 -10.051 0.951 -8.265 1.00 0.00 O ATOM 0 H SER A 23 -11.177 2.055 -5.616 1.00 0.00 H new ATOM 0 HA SER A 23 -9.442 -0.224 -5.181 1.00 0.00 H new ATOM 0 HB2 SER A 23 -8.875 -0.564 -7.518 1.00 0.00 H new ATOM 0 HB3 SER A 23 -10.602 -0.799 -7.332 1.00 0.00 H new ATOM 0 HG SER A 23 -10.090 0.541 -9.154 1.00 0.00 H new ATOM 290 N THR A 24 -7.518 1.346 -5.331 1.00 0.00 N ATOM 291 CA THR A 24 -6.436 2.319 -5.236 1.00 0.00 C ATOM 292 C THR A 24 -5.093 1.682 -5.570 1.00 0.00 C ATOM 293 O THR A 24 -4.996 0.467 -5.748 1.00 0.00 O ATOM 294 CB THR A 24 -6.361 2.939 -3.828 1.00 0.00 C ATOM 295 OG1 THR A 24 -5.493 4.078 -3.840 1.00 0.00 O ATOM 296 CG2 THR A 24 -5.858 1.922 -2.815 1.00 0.00 C ATOM 0 H THR A 24 -7.286 0.421 -4.970 1.00 0.00 H new ATOM 0 HA THR A 24 -6.652 3.104 -5.960 1.00 0.00 H new ATOM 0 HB THR A 24 -7.364 3.251 -3.538 1.00 0.00 H new ATOM 0 HG1 THR A 24 -5.452 4.468 -2.942 1.00 0.00 H new ATOM 0 HG21 THR A 24 -5.813 2.383 -1.828 1.00 0.00 H new ATOM 0 HG22 THR A 24 -6.537 1.070 -2.787 1.00 0.00 H new ATOM 0 HG23 THR A 24 -4.863 1.584 -3.103 1.00 0.00 H new ATOM 304 N THR A 25 -4.055 2.509 -5.655 1.00 0.00 N ATOM 305 CA THR A 25 -2.716 2.027 -5.969 1.00 0.00 C ATOM 306 C THR A 25 -1.704 2.502 -4.933 1.00 0.00 C ATOM 307 O THR A 25 -1.548 3.702 -4.707 1.00 0.00 O ATOM 308 CB THR A 25 -2.263 2.495 -7.365 1.00 0.00 C ATOM 309 OG1 THR A 25 -2.384 3.918 -7.467 1.00 0.00 O ATOM 310 CG2 THR A 25 -3.092 1.831 -8.454 1.00 0.00 C ATOM 0 H THR A 25 -4.117 3.517 -5.510 1.00 0.00 H new ATOM 0 HA THR A 25 -2.761 0.938 -5.956 1.00 0.00 H new ATOM 0 HB THR A 25 -1.220 2.209 -7.500 1.00 0.00 H new ATOM 0 HG1 THR A 25 -2.140 4.329 -6.611 1.00 0.00 H new ATOM 0 HG21 THR A 25 -2.754 2.177 -9.431 1.00 0.00 H new ATOM 0 HG22 THR A 25 -2.975 0.749 -8.392 1.00 0.00 H new ATOM 0 HG23 THR A 25 -4.142 2.090 -8.321 1.00 0.00 H new ATOM 318 N LEU A 26 -1.017 1.553 -4.306 1.00 0.00 N ATOM 319 CA LEU A 26 -0.018 1.875 -3.293 1.00 0.00 C ATOM 320 C LEU A 26 1.389 1.812 -3.878 1.00 0.00 C ATOM 321 O LEU A 26 2.059 0.782 -3.801 1.00 0.00 O ATOM 322 CB LEU A 26 -0.134 0.912 -2.110 1.00 0.00 C ATOM 323 CG LEU A 26 -1.529 0.764 -1.500 1.00 0.00 C ATOM 324 CD1 LEU A 26 -1.669 -0.584 -0.810 1.00 0.00 C ATOM 325 CD2 LEU A 26 -1.806 1.896 -0.522 1.00 0.00 C ATOM 0 H LEU A 26 -1.133 0.555 -4.481 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.203 2.892 -2.946 1.00 0.00 H new ATOM 0 HB2 LEU A 26 0.206 -0.072 -2.433 1.00 0.00 H new ATOM 0 HB3 LEU A 26 0.549 1.244 -1.328 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.264 0.816 -2.304 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.668 -0.672 -0.382 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.514 -1.382 -1.536 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -0.926 -0.666 -0.017 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.803 1.775 -0.098 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.066 1.875 0.278 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.748 2.851 -1.045 1.00 0.00 H new ATOM 337 N ASP A 27 1.833 2.921 -4.459 1.00 0.00 N ATOM 338 CA ASP A 27 3.162 2.994 -5.054 1.00 0.00 C ATOM 339 C ASP A 27 4.218 3.280 -3.991 1.00 0.00 C ATOM 340 O ASP A 27 4.102 4.238 -3.228 1.00 0.00 O ATOM 341 CB ASP A 27 3.202 4.076 -6.134 1.00 0.00 C ATOM 342 CG ASP A 27 4.501 4.065 -6.917 1.00 0.00 C ATOM 343 OD1 ASP A 27 5.489 3.488 -6.418 1.00 0.00 O ATOM 344 OD2 ASP A 27 4.529 4.634 -8.028 1.00 0.00 O ATOM 0 H ASP A 27 1.291 3.782 -4.531 1.00 0.00 H new ATOM 0 HA ASP A 27 3.383 2.029 -5.510 1.00 0.00 H new ATOM 0 HB2 ASP A 27 2.367 3.932 -6.819 1.00 0.00 H new ATOM 0 HB3 ASP A 27 3.069 5.053 -5.670 1.00 0.00 H new ATOM 349 N GLY A 28 5.248 2.440 -3.946 1.00 0.00 N ATOM 350 CA GLY A 28 6.309 2.619 -2.972 1.00 0.00 C ATOM 351 C GLY A 28 7.680 2.687 -3.614 1.00 0.00 C ATOM 352 O GLY A 28 8.649 2.143 -3.084 1.00 0.00 O ATOM 0 H GLY A 28 5.366 1.639 -4.566 1.00 0.00 H new ATOM 0 HA2 GLY A 28 6.130 3.534 -2.408 1.00 0.00 H new ATOM 0 HA3 GLY A 28 6.286 1.795 -2.259 1.00 0.00 H new ATOM 493 N ILE A 38 16.130 -3.924 -3.271 1.00 0.00 N ATOM 494 CA ILE A 38 15.960 -5.085 -4.136 1.00 0.00 C ATOM 495 C ILE A 38 14.904 -6.034 -3.580 1.00 0.00 C ATOM 496 O ILE A 38 15.009 -7.252 -3.730 1.00 0.00 O ATOM 497 CB ILE A 38 17.283 -5.854 -4.312 1.00 0.00 C ATOM 498 CG1 ILE A 38 17.835 -6.282 -2.951 1.00 0.00 C ATOM 499 CG2 ILE A 38 18.298 -4.999 -5.056 1.00 0.00 C ATOM 500 CD1 ILE A 38 18.644 -7.559 -3.001 1.00 0.00 C ATOM 0 HA ILE A 38 15.635 -4.711 -5.107 1.00 0.00 H new ATOM 0 HB ILE A 38 17.089 -6.750 -4.902 1.00 0.00 H new ATOM 0 HG12 ILE A 38 18.459 -5.482 -2.553 1.00 0.00 H new ATOM 0 HG13 ILE A 38 17.005 -6.414 -2.257 1.00 0.00 H new ATOM 0 HG21 ILE A 38 19.227 -5.556 -5.172 1.00 0.00 H new ATOM 0 HG22 ILE A 38 17.905 -4.740 -6.039 1.00 0.00 H new ATOM 0 HG23 ILE A 38 18.490 -4.087 -4.490 1.00 0.00 H new ATOM 0 HD11 ILE A 38 19.003 -7.801 -2.001 1.00 0.00 H new ATOM 0 HD12 ILE A 38 18.018 -8.372 -3.369 1.00 0.00 H new ATOM 0 HD13 ILE A 38 19.494 -7.425 -3.670 1.00 0.00 H new ATOM 512 N SER A 39 13.886 -5.469 -2.941 1.00 0.00 N ATOM 513 CA SER A 39 12.810 -6.264 -2.361 1.00 0.00 C ATOM 514 C SER A 39 11.568 -5.410 -2.125 1.00 0.00 C ATOM 515 O SER A 39 11.667 -4.248 -1.730 1.00 0.00 O ATOM 516 CB SER A 39 13.267 -6.896 -1.045 1.00 0.00 C ATOM 517 OG SER A 39 12.523 -8.067 -0.756 1.00 0.00 O ATOM 0 H SER A 39 13.783 -4.463 -2.811 1.00 0.00 H new ATOM 0 HA SER A 39 12.556 -7.055 -3.067 1.00 0.00 H new ATOM 0 HB2 SER A 39 14.328 -7.141 -1.104 1.00 0.00 H new ATOM 0 HB3 SER A 39 13.151 -6.178 -0.233 1.00 0.00 H new ATOM 0 HG SER A 39 12.835 -8.453 0.089 1.00 0.00 H new ATOM 523 N TYR A 40 10.401 -5.994 -2.369 1.00 0.00 N ATOM 524 CA TYR A 40 9.139 -5.286 -2.186 1.00 0.00 C ATOM 525 C TYR A 40 8.018 -6.256 -1.826 1.00 0.00 C ATOM 526 O TYR A 40 7.883 -7.320 -2.432 1.00 0.00 O ATOM 527 CB TYR A 40 8.774 -4.515 -3.455 1.00 0.00 C ATOM 528 CG TYR A 40 9.846 -3.549 -3.906 1.00 0.00 C ATOM 529 CD1 TYR A 40 10.034 -2.336 -3.255 1.00 0.00 C ATOM 530 CD2 TYR A 40 10.669 -3.847 -4.985 1.00 0.00 C ATOM 531 CE1 TYR A 40 11.012 -1.450 -3.663 1.00 0.00 C ATOM 532 CE2 TYR A 40 11.650 -2.968 -5.400 1.00 0.00 C ATOM 533 CZ TYR A 40 11.818 -1.770 -4.736 1.00 0.00 C ATOM 534 OH TYR A 40 12.793 -0.891 -5.147 1.00 0.00 O ATOM 0 H TYR A 40 10.302 -6.956 -2.694 1.00 0.00 H new ATOM 0 HA TYR A 40 9.263 -4.581 -1.364 1.00 0.00 H new ATOM 0 HB2 TYR A 40 8.576 -5.226 -4.257 1.00 0.00 H new ATOM 0 HB3 TYR A 40 7.850 -3.964 -3.282 1.00 0.00 H new ATOM 0 HD1 TYR A 40 9.404 -2.081 -2.415 1.00 0.00 H new ATOM 0 HD2 TYR A 40 10.539 -4.783 -5.509 1.00 0.00 H new ATOM 0 HE1 TYR A 40 11.145 -0.512 -3.145 1.00 0.00 H new ATOM 0 HE2 TYR A 40 12.282 -3.217 -6.240 1.00 0.00 H new ATOM 0 HH TYR A 40 13.272 -1.269 -5.914 1.00 0.00 H new ATOM 544 N LEU A 41 7.215 -5.881 -0.837 1.00 0.00 N ATOM 545 CA LEU A 41 6.103 -6.716 -0.395 1.00 0.00 C ATOM 546 C LEU A 41 4.904 -5.862 0.001 1.00 0.00 C ATOM 547 O LEU A 41 5.061 -4.755 0.518 1.00 0.00 O ATOM 548 CB LEU A 41 6.534 -7.590 0.785 1.00 0.00 C ATOM 549 CG LEU A 41 5.495 -8.591 1.293 1.00 0.00 C ATOM 550 CD1 LEU A 41 5.180 -9.623 0.221 1.00 0.00 C ATOM 551 CD2 LEU A 41 5.986 -9.271 2.563 1.00 0.00 C ATOM 0 H LEU A 41 7.313 -5.004 -0.325 1.00 0.00 H new ATOM 0 HA LEU A 41 5.809 -7.357 -1.226 1.00 0.00 H new ATOM 0 HB2 LEU A 41 7.429 -8.141 0.496 1.00 0.00 H new ATOM 0 HB3 LEU A 41 6.815 -6.937 1.611 1.00 0.00 H new ATOM 0 HG LEU A 41 4.579 -8.048 1.526 1.00 0.00 H new ATOM 0 HD11 LEU A 41 4.439 -10.327 0.600 1.00 0.00 H new ATOM 0 HD12 LEU A 41 4.785 -9.121 -0.662 1.00 0.00 H new ATOM 0 HD13 LEU A 41 6.090 -10.162 -0.044 1.00 0.00 H new ATOM 0 HD21 LEU A 41 5.234 -9.980 2.910 1.00 0.00 H new ATOM 0 HD22 LEU A 41 6.916 -9.801 2.356 1.00 0.00 H new ATOM 0 HD23 LEU A 41 6.160 -8.520 3.334 1.00 0.00 H new ATOM 563 N TRP A 42 3.707 -6.383 -0.242 1.00 0.00 N ATOM 564 CA TRP A 42 2.480 -5.668 0.092 1.00 0.00 C ATOM 565 C TRP A 42 1.442 -6.615 0.683 1.00 0.00 C ATOM 566 O TRP A 42 0.983 -7.541 0.014 1.00 0.00 O ATOM 567 CB TRP A 42 1.913 -4.979 -1.150 1.00 0.00 C ATOM 568 CG TRP A 42 2.651 -3.730 -1.527 1.00 0.00 C ATOM 569 CD1 TRP A 42 3.612 -3.605 -2.488 1.00 0.00 C ATOM 570 CD2 TRP A 42 2.489 -2.431 -0.947 1.00 0.00 C ATOM 571 NE1 TRP A 42 4.058 -2.306 -2.541 1.00 0.00 N ATOM 572 CE2 TRP A 42 3.383 -1.566 -1.606 1.00 0.00 C ATOM 573 CE3 TRP A 42 1.673 -1.915 0.063 1.00 0.00 C ATOM 574 CZ2 TRP A 42 3.484 -0.215 -1.286 1.00 0.00 C ATOM 575 CZ3 TRP A 42 1.775 -0.573 0.381 1.00 0.00 C ATOM 576 CH2 TRP A 42 2.674 0.264 -0.292 1.00 0.00 C ATOM 0 H TRP A 42 3.559 -7.298 -0.669 1.00 0.00 H new ATOM 0 HA TRP A 42 2.721 -4.912 0.839 1.00 0.00 H new ATOM 0 HB2 TRP A 42 1.941 -5.676 -1.988 1.00 0.00 H new ATOM 0 HB3 TRP A 42 0.865 -4.734 -0.974 1.00 0.00 H new ATOM 0 HD1 TRP A 42 3.969 -4.409 -3.115 1.00 0.00 H new ATOM 0 HE1 TRP A 42 4.775 -1.951 -3.174 1.00 0.00 H new ATOM 0 HE3 TRP A 42 0.975 -2.553 0.586 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 4.177 0.432 -1.804 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 1.151 -0.163 1.161 1.00 0.00 H new ATOM 0 HH2 TRP A 42 2.729 1.308 -0.021 1.00 0.00 H new ATOM 587 N GLU A 43 1.075 -6.377 1.938 1.00 0.00 N ATOM 588 CA GLU A 43 0.091 -7.211 2.617 1.00 0.00 C ATOM 589 C GLU A 43 -0.808 -6.367 3.517 1.00 0.00 C ATOM 590 O GLU A 43 -0.408 -5.306 3.995 1.00 0.00 O ATOM 591 CB GLU A 43 0.789 -8.292 3.445 1.00 0.00 C ATOM 592 CG GLU A 43 1.598 -9.270 2.609 1.00 0.00 C ATOM 593 CD GLU A 43 0.727 -10.269 1.874 1.00 0.00 C ATOM 594 OE1 GLU A 43 -0.039 -9.846 0.983 1.00 0.00 O ATOM 595 OE2 GLU A 43 0.810 -11.475 2.190 1.00 0.00 O ATOM 0 H GLU A 43 1.444 -5.614 2.505 1.00 0.00 H new ATOM 0 HA GLU A 43 -0.528 -7.689 1.858 1.00 0.00 H new ATOM 0 HB2 GLU A 43 1.448 -7.814 4.170 1.00 0.00 H new ATOM 0 HB3 GLU A 43 0.040 -8.844 4.012 1.00 0.00 H new ATOM 0 HG2 GLU A 43 2.197 -8.716 1.887 1.00 0.00 H new ATOM 0 HG3 GLU A 43 2.293 -9.806 3.255 1.00 0.00 H new ATOM 602 N LYS A 44 -2.026 -6.848 3.744 1.00 0.00 N ATOM 603 CA LYS A 44 -2.983 -6.141 4.587 1.00 0.00 C ATOM 604 C LYS A 44 -2.827 -6.549 6.048 1.00 0.00 C ATOM 605 O LYS A 44 -3.150 -7.675 6.427 1.00 0.00 O ATOM 606 CB LYS A 44 -4.412 -6.422 4.117 1.00 0.00 C ATOM 607 CG LYS A 44 -5.476 -5.756 4.973 1.00 0.00 C ATOM 608 CD LYS A 44 -6.816 -5.708 4.259 1.00 0.00 C ATOM 609 CE LYS A 44 -7.393 -7.101 4.060 1.00 0.00 C ATOM 610 NZ LYS A 44 -7.744 -7.746 5.356 1.00 0.00 N ATOM 0 H LYS A 44 -2.374 -7.725 3.356 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.783 -5.073 4.504 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -4.520 -6.081 3.087 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -4.580 -7.499 4.116 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -5.582 -6.300 5.912 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -5.160 -4.744 5.225 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -7.515 -5.103 4.836 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -6.696 -5.221 3.291 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -8.282 -7.040 3.432 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -6.670 -7.721 3.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -8.102 -8.706 5.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -6.898 -7.797 5.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -8.477 -7.186 5.835 1.00 0.00 H new ATOM 624 N THR A 45 -2.332 -5.626 6.866 1.00 0.00 N ATOM 625 CA THR A 45 -2.134 -5.889 8.286 1.00 0.00 C ATOM 626 C THR A 45 -3.456 -5.849 9.042 1.00 0.00 C ATOM 627 O THR A 45 -3.751 -6.737 9.841 1.00 0.00 O ATOM 628 CB THR A 45 -1.163 -4.872 8.916 1.00 0.00 C ATOM 629 OG1 THR A 45 -1.334 -3.589 8.304 1.00 0.00 O ATOM 630 CG2 THR A 45 0.279 -5.329 8.755 1.00 0.00 C ATOM 0 H THR A 45 -2.061 -4.689 6.569 1.00 0.00 H new ATOM 0 HA THR A 45 -1.704 -6.887 8.366 1.00 0.00 H new ATOM 0 HB THR A 45 -1.387 -4.799 9.980 1.00 0.00 H new ATOM 0 HG1 THR A 45 -2.206 -3.553 7.858 1.00 0.00 H new ATOM 0 HG21 THR A 45 0.946 -4.595 9.207 1.00 0.00 H new ATOM 0 HG22 THR A 45 0.412 -6.292 9.247 1.00 0.00 H new ATOM 0 HG23 THR A 45 0.513 -5.427 7.695 1.00 0.00 H new ATOM 638 N GLN A 46 -4.249 -4.813 8.785 1.00 0.00 N ATOM 639 CA GLN A 46 -5.541 -4.659 9.442 1.00 0.00 C ATOM 640 C GLN A 46 -6.643 -4.398 8.422 1.00 0.00 C ATOM 641 O GLN A 46 -6.395 -4.372 7.217 1.00 0.00 O ATOM 642 CB GLN A 46 -5.487 -3.514 10.456 1.00 0.00 C ATOM 643 CG GLN A 46 -5.076 -3.957 11.852 1.00 0.00 C ATOM 644 CD GLN A 46 -4.741 -2.790 12.759 1.00 0.00 C ATOM 645 OE1 GLN A 46 -5.597 -2.291 13.490 1.00 0.00 O ATOM 646 NE2 GLN A 46 -3.490 -2.347 12.717 1.00 0.00 N ATOM 0 H GLN A 46 -4.019 -4.069 8.127 1.00 0.00 H new ATOM 0 HA GLN A 46 -5.768 -5.588 9.964 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -4.785 -2.759 10.102 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -6.467 -3.039 10.508 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -5.884 -4.538 12.297 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -4.211 -4.616 11.780 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -2.813 -2.790 12.096 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -3.206 -1.564 13.305 1.00 0.00 H new ATOM 655 N GLY A 47 -7.864 -4.205 8.913 1.00 0.00 N ATOM 656 CA GLY A 47 -8.987 -3.949 8.030 1.00 0.00 C ATOM 657 C GLY A 47 -9.771 -5.206 7.709 1.00 0.00 C ATOM 658 O GLY A 47 -9.349 -6.321 8.016 1.00 0.00 O ATOM 0 H GLY A 47 -8.095 -4.221 9.906 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -9.651 -3.219 8.494 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -8.623 -3.505 7.103 1.00 0.00 H new ATOM 662 N PRO A 48 -10.942 -5.033 7.079 1.00 0.00 N ATOM 663 CA PRO A 48 -11.812 -6.152 6.704 1.00 0.00 C ATOM 664 C PRO A 48 -11.220 -6.995 5.580 1.00 0.00 C ATOM 665 O PRO A 48 -10.595 -6.469 4.659 1.00 0.00 O ATOM 666 CB PRO A 48 -13.095 -5.462 6.235 1.00 0.00 C ATOM 667 CG PRO A 48 -12.657 -4.109 5.791 1.00 0.00 C ATOM 668 CD PRO A 48 -11.507 -3.732 6.683 1.00 0.00 C ATOM 0 HA PRO A 48 -11.962 -6.846 7.531 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -13.566 -6.013 5.421 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -13.827 -5.397 7.040 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -12.351 -4.122 4.745 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -13.470 -3.388 5.877 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -10.775 -3.119 6.157 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -11.840 -3.159 7.548 1.00 0.00 H new ATOM 676 N ASP A 49 -11.420 -8.306 5.662 1.00 0.00 N ATOM 677 CA ASP A 49 -10.907 -9.222 4.650 1.00 0.00 C ATOM 678 C ASP A 49 -11.810 -9.236 3.421 1.00 0.00 C ATOM 679 O ASP A 49 -12.965 -8.817 3.482 1.00 0.00 O ATOM 680 CB ASP A 49 -10.786 -10.635 5.225 1.00 0.00 C ATOM 681 CG ASP A 49 -12.115 -11.177 5.713 1.00 0.00 C ATOM 682 OD1 ASP A 49 -12.649 -10.635 6.703 1.00 0.00 O ATOM 683 OD2 ASP A 49 -12.621 -12.144 5.105 1.00 0.00 O ATOM 0 H ASP A 49 -11.934 -8.758 6.419 1.00 0.00 H new ATOM 0 HA ASP A 49 -9.919 -8.874 4.348 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -10.383 -11.301 4.462 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -10.074 -10.628 6.051 1.00 0.00 H new ATOM 688 N GLY A 50 -11.274 -9.720 2.304 1.00 0.00 N ATOM 689 CA GLY A 50 -12.045 -9.777 1.076 1.00 0.00 C ATOM 690 C GLY A 50 -11.345 -9.092 -0.080 1.00 0.00 C ATOM 691 O GLY A 50 -11.332 -9.605 -1.199 1.00 0.00 O ATOM 0 H GLY A 50 -10.320 -10.073 2.228 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -12.233 -10.819 0.817 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -13.016 -9.308 1.238 1.00 0.00 H new ATOM 695 N VAL A 51 -10.764 -7.927 0.188 1.00 0.00 N ATOM 696 CA VAL A 51 -10.059 -7.170 -0.839 1.00 0.00 C ATOM 697 C VAL A 51 -9.150 -8.075 -1.663 1.00 0.00 C ATOM 698 O VAL A 51 -8.907 -9.224 -1.298 1.00 0.00 O ATOM 699 CB VAL A 51 -9.215 -6.038 -0.223 1.00 0.00 C ATOM 700 CG1 VAL A 51 -10.107 -5.038 0.497 1.00 0.00 C ATOM 701 CG2 VAL A 51 -8.169 -6.609 0.723 1.00 0.00 C ATOM 0 H VAL A 51 -10.768 -7.487 1.108 1.00 0.00 H new ATOM 0 HA VAL A 51 -10.819 -6.735 -1.488 1.00 0.00 H new ATOM 0 HB VAL A 51 -8.698 -5.514 -1.027 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -9.493 -4.246 0.926 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -10.815 -4.606 -0.211 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -10.653 -5.545 1.293 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -7.582 -5.796 1.149 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -8.664 -7.158 1.524 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -7.511 -7.283 0.174 1.00 0.00 H new ATOM 711 N GLN A 52 -8.652 -7.548 -2.777 1.00 0.00 N ATOM 712 CA GLN A 52 -7.770 -8.309 -3.653 1.00 0.00 C ATOM 713 C GLN A 52 -6.532 -7.496 -4.020 1.00 0.00 C ATOM 714 O GLN A 52 -6.630 -6.455 -4.670 1.00 0.00 O ATOM 715 CB GLN A 52 -8.514 -8.727 -4.923 1.00 0.00 C ATOM 716 CG GLN A 52 -9.317 -10.008 -4.764 1.00 0.00 C ATOM 717 CD GLN A 52 -9.445 -10.781 -6.062 1.00 0.00 C ATOM 718 OE1 GLN A 52 -8.446 -11.151 -6.679 1.00 0.00 O ATOM 719 NE2 GLN A 52 -10.680 -11.029 -6.483 1.00 0.00 N ATOM 0 H GLN A 52 -8.844 -6.598 -3.094 1.00 0.00 H new ATOM 0 HA GLN A 52 -7.450 -9.202 -3.117 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -9.185 -7.922 -5.222 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -7.793 -8.858 -5.730 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -8.841 -10.640 -4.014 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -10.312 -9.765 -4.391 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -11.479 -10.703 -5.939 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -10.829 -11.545 -7.350 1.00 0.00 H new ATOM 728 N LEU A 53 -5.368 -7.978 -3.598 1.00 0.00 N ATOM 729 CA LEU A 53 -4.110 -7.296 -3.881 1.00 0.00 C ATOM 730 C LEU A 53 -3.431 -7.895 -5.109 1.00 0.00 C ATOM 731 O LEU A 53 -3.226 -9.106 -5.188 1.00 0.00 O ATOM 732 CB LEU A 53 -3.176 -7.385 -2.673 1.00 0.00 C ATOM 733 CG LEU A 53 -3.277 -6.243 -1.661 1.00 0.00 C ATOM 734 CD1 LEU A 53 -2.936 -6.737 -0.264 1.00 0.00 C ATOM 735 CD2 LEU A 53 -2.363 -5.094 -2.061 1.00 0.00 C ATOM 0 H LEU A 53 -5.269 -8.838 -3.059 1.00 0.00 H new ATOM 0 HA LEU A 53 -4.330 -6.248 -4.085 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.375 -8.323 -2.154 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.149 -7.433 -3.036 1.00 0.00 H new ATOM 0 HG LEU A 53 -4.304 -5.878 -1.654 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -3.013 -5.911 0.443 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -3.631 -7.526 0.023 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -1.919 -7.129 -0.255 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -2.448 -4.290 -1.330 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -1.332 -5.445 -2.097 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -2.654 -4.723 -3.044 1.00 0.00 H new ATOM 747 N GLU A 54 -3.081 -7.037 -6.063 1.00 0.00 N ATOM 748 CA GLU A 54 -2.423 -7.482 -7.285 1.00 0.00 C ATOM 749 C GLU A 54 -1.002 -6.933 -7.369 1.00 0.00 C ATOM 750 O GLU A 54 -0.748 -5.782 -7.017 1.00 0.00 O ATOM 751 CB GLU A 54 -3.225 -7.041 -8.512 1.00 0.00 C ATOM 752 CG GLU A 54 -4.313 -8.022 -8.913 1.00 0.00 C ATOM 753 CD GLU A 54 -5.621 -7.773 -8.187 1.00 0.00 C ATOM 754 OE1 GLU A 54 -6.032 -6.598 -8.091 1.00 0.00 O ATOM 755 OE2 GLU A 54 -6.232 -8.753 -7.714 1.00 0.00 O ATOM 0 H GLU A 54 -3.242 -6.031 -6.013 1.00 0.00 H new ATOM 0 HA GLU A 54 -2.373 -8.571 -7.264 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -3.679 -6.071 -8.309 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -2.543 -6.905 -9.351 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -4.480 -7.954 -9.988 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -3.975 -9.038 -8.707 1.00 0.00 H new ATOM 762 N ASN A 55 -0.079 -7.767 -7.837 1.00 0.00 N ATOM 763 CA ASN A 55 1.318 -7.367 -7.966 1.00 0.00 C ATOM 764 C ASN A 55 1.910 -7.011 -6.605 1.00 0.00 C ATOM 765 O ASN A 55 2.844 -6.215 -6.512 1.00 0.00 O ATOM 766 CB ASN A 55 1.443 -6.174 -8.916 1.00 0.00 C ATOM 767 CG ASN A 55 1.631 -6.602 -10.359 1.00 0.00 C ATOM 768 OD1 ASN A 55 2.721 -7.013 -10.759 1.00 0.00 O ATOM 769 ND2 ASN A 55 0.568 -6.507 -11.148 1.00 0.00 N ATOM 0 H ASN A 55 -0.273 -8.724 -8.133 1.00 0.00 H new ATOM 0 HA ASN A 55 1.875 -8.210 -8.376 1.00 0.00 H new ATOM 0 HB2 ASN A 55 0.550 -5.555 -8.837 1.00 0.00 H new ATOM 0 HB3 ASN A 55 2.287 -5.556 -8.610 1.00 0.00 H new ATOM 0 HD21 ASN A 55 0.635 -6.780 -12.128 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -0.316 -6.161 -10.774 1.00 0.00 H new ATOM 776 N ALA A 56 1.359 -7.607 -5.553 1.00 0.00 N ATOM 777 CA ALA A 56 1.834 -7.356 -4.198 1.00 0.00 C ATOM 778 C ALA A 56 3.339 -7.580 -4.093 1.00 0.00 C ATOM 779 O ALA A 56 4.005 -6.992 -3.242 1.00 0.00 O ATOM 780 CB ALA A 56 1.096 -8.243 -3.207 1.00 0.00 C ATOM 0 H ALA A 56 0.583 -8.267 -5.613 1.00 0.00 H new ATOM 0 HA ALA A 56 1.631 -6.313 -3.956 1.00 0.00 H new ATOM 0 HB1 ALA A 56 1.461 -8.045 -2.199 1.00 0.00 H new ATOM 0 HB2 ALA A 56 0.028 -8.031 -3.254 1.00 0.00 H new ATOM 0 HB3 ALA A 56 1.270 -9.290 -3.456 1.00 0.00 H new ATOM 786 N ASN A 57 3.867 -8.435 -4.962 1.00 0.00 N ATOM 787 CA ASN A 57 5.294 -8.738 -4.966 1.00 0.00 C ATOM 788 C ASN A 57 6.058 -7.748 -5.839 1.00 0.00 C ATOM 789 O ASN A 57 7.070 -8.094 -6.449 1.00 0.00 O ATOM 790 CB ASN A 57 5.532 -10.165 -5.464 1.00 0.00 C ATOM 791 CG ASN A 57 4.610 -11.170 -4.802 1.00 0.00 C ATOM 792 OD1 ASN A 57 3.398 -11.156 -5.022 1.00 0.00 O ATOM 793 ND2 ASN A 57 5.180 -12.049 -3.987 1.00 0.00 N ATOM 0 H ASN A 57 3.329 -8.931 -5.673 1.00 0.00 H new ATOM 0 HA ASN A 57 5.661 -8.651 -3.943 1.00 0.00 H new ATOM 0 HB2 ASN A 57 5.387 -10.199 -6.544 1.00 0.00 H new ATOM 0 HB3 ASN A 57 6.568 -10.446 -5.273 1.00 0.00 H new ATOM 0 HD21 ASN A 57 4.610 -12.750 -3.514 1.00 0.00 H new ATOM 0 HD22 ASN A 57 6.188 -12.024 -3.834 1.00 0.00 H new ATOM 800 N SER A 58 5.567 -6.514 -5.895 1.00 0.00 N ATOM 801 CA SER A 58 6.201 -5.474 -6.696 1.00 0.00 C ATOM 802 C SER A 58 6.185 -4.136 -5.962 1.00 0.00 C ATOM 803 O SER A 58 5.440 -3.954 -4.998 1.00 0.00 O ATOM 804 CB SER A 58 5.492 -5.336 -8.045 1.00 0.00 C ATOM 805 OG SER A 58 5.341 -6.598 -8.672 1.00 0.00 O ATOM 0 H SER A 58 4.732 -6.210 -5.395 1.00 0.00 H new ATOM 0 HA SER A 58 7.238 -5.763 -6.866 1.00 0.00 H new ATOM 0 HB2 SER A 58 4.513 -4.879 -7.900 1.00 0.00 H new ATOM 0 HB3 SER A 58 6.062 -4.670 -8.693 1.00 0.00 H new ATOM 0 HG SER A 58 4.884 -6.484 -9.531 1.00 0.00 H new ATOM 811 N SER A 59 7.012 -3.204 -6.424 1.00 0.00 N ATOM 812 CA SER A 59 7.096 -1.884 -5.810 1.00 0.00 C ATOM 813 C SER A 59 5.723 -1.221 -5.757 1.00 0.00 C ATOM 814 O SER A 59 5.422 -0.464 -4.834 1.00 0.00 O ATOM 815 CB SER A 59 8.074 -0.999 -6.585 1.00 0.00 C ATOM 816 OG SER A 59 7.639 -0.807 -7.920 1.00 0.00 O ATOM 0 H SER A 59 7.634 -3.338 -7.222 1.00 0.00 H new ATOM 0 HA SER A 59 7.460 -2.007 -4.790 1.00 0.00 H new ATOM 0 HB2 SER A 59 8.169 -0.034 -6.088 1.00 0.00 H new ATOM 0 HB3 SER A 59 9.063 -1.457 -6.584 1.00 0.00 H new ATOM 0 HG SER A 59 8.280 -0.237 -8.394 1.00 0.00 H new ATOM 822 N VAL A 60 4.895 -1.510 -6.756 1.00 0.00 N ATOM 823 CA VAL A 60 3.553 -0.943 -6.824 1.00 0.00 C ATOM 824 C VAL A 60 2.492 -2.036 -6.777 1.00 0.00 C ATOM 825 O VAL A 60 2.528 -2.985 -7.560 1.00 0.00 O ATOM 826 CB VAL A 60 3.361 -0.111 -8.106 1.00 0.00 C ATOM 827 CG1 VAL A 60 1.974 0.515 -8.133 1.00 0.00 C ATOM 828 CG2 VAL A 60 4.438 0.958 -8.214 1.00 0.00 C ATOM 0 H VAL A 60 5.130 -2.133 -7.529 1.00 0.00 H new ATOM 0 HA VAL A 60 3.439 -0.293 -5.957 1.00 0.00 H new ATOM 0 HB VAL A 60 3.452 -0.775 -8.966 1.00 0.00 H new ATOM 0 HG11 VAL A 60 1.856 1.099 -9.046 1.00 0.00 H new ATOM 0 HG12 VAL A 60 1.219 -0.271 -8.105 1.00 0.00 H new ATOM 0 HG13 VAL A 60 1.852 1.166 -7.267 1.00 0.00 H new ATOM 0 HG21 VAL A 60 4.287 1.536 -9.126 1.00 0.00 H new ATOM 0 HG22 VAL A 60 4.381 1.621 -7.350 1.00 0.00 H new ATOM 0 HG23 VAL A 60 5.419 0.484 -8.243 1.00 0.00 H new ATOM 838 N ALA A 61 1.546 -1.896 -5.853 1.00 0.00 N ATOM 839 CA ALA A 61 0.472 -2.870 -5.705 1.00 0.00 C ATOM 840 C ALA A 61 -0.889 -2.226 -5.944 1.00 0.00 C ATOM 841 O ALA A 61 -1.025 -1.003 -5.905 1.00 0.00 O ATOM 842 CB ALA A 61 0.523 -3.505 -4.324 1.00 0.00 C ATOM 0 H ALA A 61 1.502 -1.117 -5.196 1.00 0.00 H new ATOM 0 HA ALA A 61 0.613 -3.648 -6.456 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -0.285 -4.230 -4.227 1.00 0.00 H new ATOM 0 HB2 ALA A 61 1.481 -4.008 -4.190 1.00 0.00 H new ATOM 0 HB3 ALA A 61 0.410 -2.732 -3.564 1.00 0.00 H new ATOM 848 N THR A 62 -1.897 -3.058 -6.192 1.00 0.00 N ATOM 849 CA THR A 62 -3.248 -2.570 -6.439 1.00 0.00 C ATOM 850 C THR A 62 -4.268 -3.329 -5.599 1.00 0.00 C ATOM 851 O THR A 62 -4.380 -4.551 -5.694 1.00 0.00 O ATOM 852 CB THR A 62 -3.627 -2.697 -7.926 1.00 0.00 C ATOM 853 OG1 THR A 62 -2.739 -1.909 -8.727 1.00 0.00 O ATOM 854 CG2 THR A 62 -5.062 -2.247 -8.158 1.00 0.00 C ATOM 0 H THR A 62 -1.802 -4.073 -6.227 1.00 0.00 H new ATOM 0 HA THR A 62 -3.261 -1.517 -6.157 1.00 0.00 H new ATOM 0 HB THR A 62 -3.540 -3.745 -8.213 1.00 0.00 H new ATOM 0 HG1 THR A 62 -2.986 -1.997 -9.671 1.00 0.00 H new ATOM 0 HG21 THR A 62 -5.308 -2.345 -9.215 1.00 0.00 H new ATOM 0 HG22 THR A 62 -5.738 -2.867 -7.569 1.00 0.00 H new ATOM 0 HG23 THR A 62 -5.170 -1.205 -7.856 1.00 0.00 H new ATOM 862 N VAL A 63 -5.013 -2.596 -4.776 1.00 0.00 N ATOM 863 CA VAL A 63 -6.027 -3.200 -3.920 1.00 0.00 C ATOM 864 C VAL A 63 -7.429 -2.932 -4.455 1.00 0.00 C ATOM 865 O VAL A 63 -7.865 -1.783 -4.538 1.00 0.00 O ATOM 866 CB VAL A 63 -5.930 -2.672 -2.477 1.00 0.00 C ATOM 867 CG1 VAL A 63 -6.943 -3.371 -1.583 1.00 0.00 C ATOM 868 CG2 VAL A 63 -4.519 -2.850 -1.938 1.00 0.00 C ATOM 0 H VAL A 63 -4.933 -1.583 -4.685 1.00 0.00 H new ATOM 0 HA VAL A 63 -5.841 -4.274 -3.919 1.00 0.00 H new ATOM 0 HB VAL A 63 -6.160 -1.607 -2.483 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -6.859 -2.985 -0.567 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -7.949 -3.187 -1.960 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -6.747 -4.443 -1.581 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -4.469 -2.471 -0.917 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -4.257 -3.908 -1.946 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -3.818 -2.298 -2.564 1.00 0.00 H new ATOM 878 N THR A 64 -8.132 -4.000 -4.818 1.00 0.00 N ATOM 879 CA THR A 64 -9.485 -3.881 -5.347 1.00 0.00 C ATOM 880 C THR A 64 -10.498 -4.541 -4.419 1.00 0.00 C ATOM 881 O THR A 64 -10.147 -5.400 -3.611 1.00 0.00 O ATOM 882 CB THR A 64 -9.600 -4.513 -6.747 1.00 0.00 C ATOM 883 OG1 THR A 64 -9.550 -5.940 -6.645 1.00 0.00 O ATOM 884 CG2 THR A 64 -8.481 -4.025 -7.654 1.00 0.00 C ATOM 0 H THR A 64 -7.787 -4.958 -4.755 1.00 0.00 H new ATOM 0 HA THR A 64 -9.703 -2.815 -5.419 1.00 0.00 H new ATOM 0 HB THR A 64 -10.554 -4.213 -7.180 1.00 0.00 H new ATOM 0 HG1 THR A 64 -9.625 -6.335 -7.539 1.00 0.00 H new ATOM 0 HG21 THR A 64 -8.583 -4.485 -8.637 1.00 0.00 H new ATOM 0 HG22 THR A 64 -8.539 -2.941 -7.753 1.00 0.00 H new ATOM 0 HG23 THR A 64 -7.518 -4.299 -7.223 1.00 0.00 H new ATOM 892 N GLY A 65 -11.759 -4.135 -4.540 1.00 0.00 N ATOM 893 CA GLY A 65 -12.803 -4.699 -3.705 1.00 0.00 C ATOM 894 C GLY A 65 -12.852 -4.066 -2.329 1.00 0.00 C ATOM 895 O GLY A 65 -13.092 -4.747 -1.332 1.00 0.00 O ATOM 0 H GLY A 65 -12.075 -3.426 -5.201 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -13.767 -4.568 -4.196 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -12.641 -5.772 -3.602 1.00 0.00 H new ATOM 899 N LEU A 66 -12.622 -2.759 -2.273 1.00 0.00 N ATOM 900 CA LEU A 66 -12.639 -2.032 -1.008 1.00 0.00 C ATOM 901 C LEU A 66 -14.043 -1.528 -0.689 1.00 0.00 C ATOM 902 O LEU A 66 -14.880 -1.389 -1.580 1.00 0.00 O ATOM 903 CB LEU A 66 -11.662 -0.856 -1.060 1.00 0.00 C ATOM 904 CG LEU A 66 -10.177 -1.219 -1.078 1.00 0.00 C ATOM 905 CD1 LEU A 66 -9.362 -0.101 -1.711 1.00 0.00 C ATOM 906 CD2 LEU A 66 -9.681 -1.511 0.331 1.00 0.00 C ATOM 0 H LEU A 66 -12.421 -2.181 -3.089 1.00 0.00 H new ATOM 0 HA LEU A 66 -12.331 -2.718 -0.219 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -11.882 -0.265 -1.949 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -11.849 -0.216 -0.198 1.00 0.00 H new ATOM 0 HG LEU A 66 -10.050 -2.119 -1.679 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -8.308 -0.377 -1.715 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -9.699 0.060 -2.735 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -9.495 0.816 -1.137 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -8.622 -1.767 0.298 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -9.822 -0.629 0.956 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -10.244 -2.346 0.749 1.00 0.00 H new ATOM 918 N GLN A 67 -14.292 -1.254 0.588 1.00 0.00 N ATOM 919 CA GLN A 67 -15.594 -0.764 1.024 1.00 0.00 C ATOM 920 C GLN A 67 -15.454 0.138 2.246 1.00 0.00 C ATOM 921 O GLN A 67 -14.372 0.258 2.821 1.00 0.00 O ATOM 922 CB GLN A 67 -16.523 -1.936 1.344 1.00 0.00 C ATOM 923 CG GLN A 67 -16.028 -2.810 2.485 1.00 0.00 C ATOM 924 CD GLN A 67 -16.814 -4.100 2.615 1.00 0.00 C ATOM 925 OE1 GLN A 67 -16.948 -4.858 1.653 1.00 0.00 O ATOM 926 NE2 GLN A 67 -17.338 -4.358 3.807 1.00 0.00 N ATOM 0 H GLN A 67 -13.609 -1.363 1.338 1.00 0.00 H new ATOM 0 HA GLN A 67 -16.025 -0.180 0.211 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -17.510 -1.548 1.596 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -16.640 -2.550 0.451 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -14.975 -3.045 2.328 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -16.094 -2.253 3.420 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -17.202 -3.702 4.576 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -17.876 -5.212 3.953 1.00 0.00 H new ATOM 935 N VAL A 68 -16.556 0.771 2.637 1.00 0.00 N ATOM 936 CA VAL A 68 -16.556 1.662 3.791 1.00 0.00 C ATOM 937 C VAL A 68 -15.886 1.006 4.992 1.00 0.00 C ATOM 938 O VAL A 68 -16.484 0.174 5.673 1.00 0.00 O ATOM 939 CB VAL A 68 -17.988 2.076 4.179 1.00 0.00 C ATOM 940 CG1 VAL A 68 -17.962 3.093 5.311 1.00 0.00 C ATOM 941 CG2 VAL A 68 -18.728 2.630 2.971 1.00 0.00 C ATOM 0 H VAL A 68 -17.459 0.683 2.172 1.00 0.00 H new ATOM 0 HA VAL A 68 -15.993 2.550 3.505 1.00 0.00 H new ATOM 0 HB VAL A 68 -18.521 1.192 4.529 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -18.983 3.374 5.571 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -17.472 2.656 6.181 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -17.412 3.979 4.992 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -19.738 2.917 3.263 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -18.199 3.503 2.589 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -18.778 1.867 2.194 1.00 0.00 H new ATOM 951 N GLY A 69 -14.637 1.386 5.248 1.00 0.00 N ATOM 952 CA GLY A 69 -13.905 0.825 6.368 1.00 0.00 C ATOM 953 C GLY A 69 -12.457 1.271 6.395 1.00 0.00 C ATOM 954 O GLY A 69 -12.076 2.217 5.705 1.00 0.00 O ATOM 0 H GLY A 69 -14.120 2.073 4.699 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -14.390 1.119 7.299 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -13.946 -0.263 6.317 1.00 0.00 H new ATOM 958 N THR A 70 -11.644 0.589 7.198 1.00 0.00 N ATOM 959 CA THR A 70 -10.230 0.922 7.315 1.00 0.00 C ATOM 960 C THR A 70 -9.354 -0.204 6.779 1.00 0.00 C ATOM 961 O THR A 70 -9.648 -1.382 6.981 1.00 0.00 O ATOM 962 CB THR A 70 -9.840 1.209 8.777 1.00 0.00 C ATOM 963 OG1 THR A 70 -10.861 1.985 9.414 1.00 0.00 O ATOM 964 CG2 THR A 70 -8.514 1.951 8.848 1.00 0.00 C ATOM 0 H THR A 70 -11.942 -0.197 7.776 1.00 0.00 H new ATOM 0 HA THR A 70 -10.066 1.820 6.720 1.00 0.00 H new ATOM 0 HB THR A 70 -9.733 0.256 9.294 1.00 0.00 H new ATOM 0 HG1 THR A 70 -10.606 2.161 10.344 1.00 0.00 H new ATOM 0 HG21 THR A 70 -8.260 2.142 9.890 1.00 0.00 H new ATOM 0 HG22 THR A 70 -7.733 1.345 8.389 1.00 0.00 H new ATOM 0 HG23 THR A 70 -8.598 2.898 8.315 1.00 0.00 H new ATOM 972 N TYR A 71 -8.277 0.166 6.094 1.00 0.00 N ATOM 973 CA TYR A 71 -7.358 -0.814 5.527 1.00 0.00 C ATOM 974 C TYR A 71 -5.909 -0.397 5.754 1.00 0.00 C ATOM 975 O TYR A 71 -5.470 0.650 5.279 1.00 0.00 O ATOM 976 CB TYR A 71 -7.623 -0.986 4.030 1.00 0.00 C ATOM 977 CG TYR A 71 -9.005 -1.514 3.716 1.00 0.00 C ATOM 978 CD1 TYR A 71 -10.086 -0.651 3.583 1.00 0.00 C ATOM 979 CD2 TYR A 71 -9.229 -2.875 3.554 1.00 0.00 C ATOM 980 CE1 TYR A 71 -11.350 -1.129 3.296 1.00 0.00 C ATOM 981 CE2 TYR A 71 -10.490 -3.362 3.267 1.00 0.00 C ATOM 982 CZ TYR A 71 -11.547 -2.485 3.139 1.00 0.00 C ATOM 983 OH TYR A 71 -12.804 -2.966 2.854 1.00 0.00 O ATOM 0 H TYR A 71 -8.019 1.137 5.918 1.00 0.00 H new ATOM 0 HA TYR A 71 -7.526 -1.766 6.031 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -7.489 -0.025 3.533 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -6.880 -1.666 3.614 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -9.935 0.411 3.706 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -8.404 -3.564 3.654 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -12.179 -0.445 3.195 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -10.647 -4.423 3.144 1.00 0.00 H new ATOM 0 HH TYR A 71 -12.754 -3.929 2.680 1.00 0.00 H new ATOM 993 N VAL A 72 -5.169 -1.226 6.485 1.00 0.00 N ATOM 994 CA VAL A 72 -3.768 -0.946 6.774 1.00 0.00 C ATOM 995 C VAL A 72 -2.850 -1.917 6.041 1.00 0.00 C ATOM 996 O VAL A 72 -2.832 -3.113 6.335 1.00 0.00 O ATOM 997 CB VAL A 72 -3.480 -1.026 8.285 1.00 0.00 C ATOM 998 CG1 VAL A 72 -2.045 -0.615 8.579 1.00 0.00 C ATOM 999 CG2 VAL A 72 -4.461 -0.160 9.061 1.00 0.00 C ATOM 0 H VAL A 72 -5.517 -2.096 6.887 1.00 0.00 H new ATOM 0 HA VAL A 72 -3.570 0.068 6.427 1.00 0.00 H new ATOM 0 HB VAL A 72 -3.609 -2.059 8.607 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -1.861 -0.678 9.651 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -1.361 -1.281 8.054 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -1.884 0.409 8.243 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -4.243 -0.229 10.127 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -4.366 0.876 8.737 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -5.478 -0.507 8.876 1.00 0.00 H new ATOM 1009 N PHE A 73 -2.088 -1.396 5.085 1.00 0.00 N ATOM 1010 CA PHE A 73 -1.167 -2.217 4.309 1.00 0.00 C ATOM 1011 C PHE A 73 0.282 -1.868 4.635 1.00 0.00 C ATOM 1012 O PHE A 73 0.700 -0.716 4.506 1.00 0.00 O ATOM 1013 CB PHE A 73 -1.423 -2.031 2.812 1.00 0.00 C ATOM 1014 CG PHE A 73 -2.845 -2.296 2.409 1.00 0.00 C ATOM 1015 CD1 PHE A 73 -3.783 -1.276 2.416 1.00 0.00 C ATOM 1016 CD2 PHE A 73 -3.245 -3.565 2.023 1.00 0.00 C ATOM 1017 CE1 PHE A 73 -5.093 -1.517 2.047 1.00 0.00 C ATOM 1018 CE2 PHE A 73 -4.554 -3.813 1.653 1.00 0.00 C ATOM 1019 CZ PHE A 73 -5.478 -2.787 1.664 1.00 0.00 C ATOM 0 H PHE A 73 -2.090 -0.409 4.829 1.00 0.00 H new ATOM 0 HA PHE A 73 -1.339 -3.260 4.574 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -1.158 -1.012 2.530 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -0.765 -2.697 2.254 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -3.487 -0.281 2.713 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -2.526 -4.370 2.011 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -5.815 -0.713 2.058 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -4.853 -4.807 1.356 1.00 0.00 H new ATOM 0 HZ PHE A 73 -6.501 -2.977 1.373 1.00 0.00 H new ATOM 1029 N THR A 74 1.045 -2.870 5.061 1.00 0.00 N ATOM 1030 CA THR A 74 2.446 -2.669 5.408 1.00 0.00 C ATOM 1031 C THR A 74 3.363 -3.123 4.278 1.00 0.00 C ATOM 1032 O THR A 74 3.233 -4.236 3.768 1.00 0.00 O ATOM 1033 CB THR A 74 2.820 -3.431 6.694 1.00 0.00 C ATOM 1034 OG1 THR A 74 1.862 -3.156 7.722 1.00 0.00 O ATOM 1035 CG2 THR A 74 4.210 -3.037 7.171 1.00 0.00 C ATOM 0 H THR A 74 0.716 -3.829 5.174 1.00 0.00 H new ATOM 0 HA THR A 74 2.581 -1.600 5.574 1.00 0.00 H new ATOM 0 HB THR A 74 2.818 -4.498 6.472 1.00 0.00 H new ATOM 0 HG1 THR A 74 2.324 -3.054 8.580 1.00 0.00 H new ATOM 0 HG21 THR A 74 4.452 -3.587 8.080 1.00 0.00 H new ATOM 0 HG22 THR A 74 4.941 -3.274 6.398 1.00 0.00 H new ATOM 0 HG23 THR A 74 4.234 -1.967 7.378 1.00 0.00 H new ATOM 1043 N LEU A 75 4.291 -2.254 3.891 1.00 0.00 N ATOM 1044 CA LEU A 75 5.232 -2.566 2.821 1.00 0.00 C ATOM 1045 C LEU A 75 6.597 -2.941 3.387 1.00 0.00 C ATOM 1046 O LEU A 75 7.371 -2.075 3.796 1.00 0.00 O ATOM 1047 CB LEU A 75 5.370 -1.373 1.873 1.00 0.00 C ATOM 1048 CG LEU A 75 6.630 -1.346 1.007 1.00 0.00 C ATOM 1049 CD1 LEU A 75 6.804 -2.669 0.278 1.00 0.00 C ATOM 1050 CD2 LEU A 75 6.572 -0.193 0.016 1.00 0.00 C ATOM 0 H LEU A 75 4.412 -1.328 4.302 1.00 0.00 H new ATOM 0 HA LEU A 75 4.843 -3.420 2.267 1.00 0.00 H new ATOM 0 HB2 LEU A 75 4.501 -1.355 1.215 1.00 0.00 H new ATOM 0 HB3 LEU A 75 5.341 -0.458 2.465 1.00 0.00 H new ATOM 0 HG LEU A 75 7.492 -1.196 1.658 1.00 0.00 H new ATOM 0 HD11 LEU A 75 7.706 -2.632 -0.333 1.00 0.00 H new ATOM 0 HD12 LEU A 75 6.892 -3.476 1.005 1.00 0.00 H new ATOM 0 HD13 LEU A 75 5.939 -2.849 -0.361 1.00 0.00 H new ATOM 0 HD21 LEU A 75 7.477 -0.190 -0.592 1.00 0.00 H new ATOM 0 HD22 LEU A 75 5.702 -0.312 -0.630 1.00 0.00 H new ATOM 0 HD23 LEU A 75 6.496 0.749 0.558 1.00 0.00 H new ATOM 1062 N THR A 76 6.888 -4.238 3.407 1.00 0.00 N ATOM 1063 CA THR A 76 8.160 -4.728 3.922 1.00 0.00 C ATOM 1064 C THR A 76 9.226 -4.741 2.833 1.00 0.00 C ATOM 1065 O THR A 76 9.165 -5.542 1.900 1.00 0.00 O ATOM 1066 CB THR A 76 8.021 -6.147 4.506 1.00 0.00 C ATOM 1067 OG1 THR A 76 6.765 -6.278 5.182 1.00 0.00 O ATOM 1068 CG2 THR A 76 9.156 -6.449 5.472 1.00 0.00 C ATOM 0 H THR A 76 6.259 -4.968 3.072 1.00 0.00 H new ATOM 0 HA THR A 76 8.464 -4.045 4.715 1.00 0.00 H new ATOM 0 HB THR A 76 8.067 -6.860 3.683 1.00 0.00 H new ATOM 0 HG1 THR A 76 6.684 -7.183 5.549 1.00 0.00 H new ATOM 0 HG21 THR A 76 9.036 -7.456 5.871 1.00 0.00 H new ATOM 0 HG22 THR A 76 10.109 -6.378 4.948 1.00 0.00 H new ATOM 0 HG23 THR A 76 9.138 -5.730 6.291 1.00 0.00 H new ATOM 1076 N VAL A 77 10.204 -3.850 2.958 1.00 0.00 N ATOM 1077 CA VAL A 77 11.286 -3.760 1.984 1.00 0.00 C ATOM 1078 C VAL A 77 12.625 -4.128 2.614 1.00 0.00 C ATOM 1079 O VAL A 77 12.788 -4.064 3.833 1.00 0.00 O ATOM 1080 CB VAL A 77 11.385 -2.345 1.384 1.00 0.00 C ATOM 1081 CG1 VAL A 77 10.116 -2.000 0.619 1.00 0.00 C ATOM 1082 CG2 VAL A 77 11.655 -1.321 2.475 1.00 0.00 C ATOM 0 H VAL A 77 10.270 -3.180 3.724 1.00 0.00 H new ATOM 0 HA VAL A 77 11.055 -4.469 1.188 1.00 0.00 H new ATOM 0 HB VAL A 77 12.220 -2.324 0.684 1.00 0.00 H new ATOM 0 HG11 VAL A 77 10.204 -0.997 0.202 1.00 0.00 H new ATOM 0 HG12 VAL A 77 9.972 -2.717 -0.189 1.00 0.00 H new ATOM 0 HG13 VAL A 77 9.262 -2.038 1.295 1.00 0.00 H new ATOM 0 HG21 VAL A 77 11.722 -0.327 2.033 1.00 0.00 H new ATOM 0 HG22 VAL A 77 10.843 -1.341 3.202 1.00 0.00 H new ATOM 0 HG23 VAL A 77 12.594 -1.560 2.974 1.00 0.00 H new ATOM 1092 N LYS A 78 13.581 -4.512 1.776 1.00 0.00 N ATOM 1093 CA LYS A 78 14.908 -4.889 2.249 1.00 0.00 C ATOM 1094 C LYS A 78 15.987 -4.408 1.284 1.00 0.00 C ATOM 1095 O LYS A 78 15.752 -4.301 0.080 1.00 0.00 O ATOM 1096 CB LYS A 78 15.000 -6.407 2.419 1.00 0.00 C ATOM 1097 CG LYS A 78 14.592 -6.890 3.800 1.00 0.00 C ATOM 1098 CD LYS A 78 14.473 -8.404 3.848 1.00 0.00 C ATOM 1099 CE LYS A 78 13.068 -8.864 3.490 1.00 0.00 C ATOM 1100 NZ LYS A 78 12.176 -8.904 4.682 1.00 0.00 N ATOM 0 H LYS A 78 13.462 -4.571 0.765 1.00 0.00 H new ATOM 0 HA LYS A 78 15.071 -4.411 3.215 1.00 0.00 H new ATOM 0 HB2 LYS A 78 14.366 -6.887 1.673 1.00 0.00 H new ATOM 0 HB3 LYS A 78 16.023 -6.725 2.220 1.00 0.00 H new ATOM 0 HG2 LYS A 78 15.326 -6.558 4.534 1.00 0.00 H new ATOM 0 HG3 LYS A 78 13.639 -6.440 4.077 1.00 0.00 H new ATOM 0 HD2 LYS A 78 15.190 -8.848 3.157 1.00 0.00 H new ATOM 0 HD3 LYS A 78 14.730 -8.759 4.846 1.00 0.00 H new ATOM 0 HE2 LYS A 78 12.645 -8.192 2.743 1.00 0.00 H new ATOM 0 HE3 LYS A 78 13.115 -9.855 3.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 11.228 -9.222 4.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 12.565 -9.564 5.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 12.111 -7.953 5.099 1.00 0.00 H new ATOM 1114 N ASP A 79 17.168 -4.122 1.819 1.00 0.00 N ATOM 1115 CA ASP A 79 18.284 -3.655 1.004 1.00 0.00 C ATOM 1116 C ASP A 79 19.353 -4.736 0.876 1.00 0.00 C ATOM 1117 O ASP A 79 19.175 -5.857 1.353 1.00 0.00 O ATOM 1118 CB ASP A 79 18.892 -2.389 1.609 1.00 0.00 C ATOM 1119 CG ASP A 79 19.940 -2.696 2.661 1.00 0.00 C ATOM 1120 OD1 ASP A 79 19.877 -3.789 3.261 1.00 0.00 O ATOM 1121 OD2 ASP A 79 20.824 -1.842 2.883 1.00 0.00 O ATOM 0 H ASP A 79 17.378 -4.205 2.814 1.00 0.00 H new ATOM 0 HA ASP A 79 17.903 -3.425 0.009 1.00 0.00 H new ATOM 0 HB2 ASP A 79 19.341 -1.791 0.816 1.00 0.00 H new ATOM 0 HB3 ASP A 79 18.100 -1.786 2.054 1.00 0.00 H new ATOM 1126 N GLU A 80 20.461 -4.392 0.228 1.00 0.00 N ATOM 1127 CA GLU A 80 21.557 -5.334 0.037 1.00 0.00 C ATOM 1128 C GLU A 80 22.085 -5.835 1.378 1.00 0.00 C ATOM 1129 O GLU A 80 22.530 -6.977 1.495 1.00 0.00 O ATOM 1130 CB GLU A 80 22.690 -4.679 -0.757 1.00 0.00 C ATOM 1131 CG GLU A 80 23.988 -5.468 -0.729 1.00 0.00 C ATOM 1132 CD GLU A 80 23.941 -6.701 -1.610 1.00 0.00 C ATOM 1133 OE1 GLU A 80 23.484 -7.758 -1.129 1.00 0.00 O ATOM 1134 OE2 GLU A 80 24.362 -6.607 -2.783 1.00 0.00 O ATOM 0 H GLU A 80 20.623 -3.468 -0.173 1.00 0.00 H new ATOM 0 HA GLU A 80 21.175 -6.186 -0.525 1.00 0.00 H new ATOM 0 HB2 GLU A 80 22.372 -4.555 -1.792 1.00 0.00 H new ATOM 0 HB3 GLU A 80 22.872 -3.681 -0.358 1.00 0.00 H new ATOM 0 HG2 GLU A 80 24.806 -4.825 -1.054 1.00 0.00 H new ATOM 0 HG3 GLU A 80 24.205 -5.767 0.297 1.00 0.00 H new ATOM 1141 N ARG A 81 22.032 -4.973 2.388 1.00 0.00 N ATOM 1142 CA ARG A 81 22.506 -5.326 3.720 1.00 0.00 C ATOM 1143 C ARG A 81 21.441 -6.105 4.487 1.00 0.00 C ATOM 1144 O ARG A 81 21.515 -6.240 5.707 1.00 0.00 O ATOM 1145 CB ARG A 81 22.891 -4.066 4.499 1.00 0.00 C ATOM 1146 CG ARG A 81 24.322 -3.615 4.257 1.00 0.00 C ATOM 1147 CD ARG A 81 24.617 -2.300 4.962 1.00 0.00 C ATOM 1148 NE ARG A 81 24.948 -2.497 6.371 1.00 0.00 N ATOM 1149 CZ ARG A 81 24.963 -1.516 7.266 1.00 0.00 C ATOM 1150 NH1 ARG A 81 24.667 -0.276 6.902 1.00 0.00 N ATOM 1151 NH2 ARG A 81 25.274 -1.774 8.530 1.00 0.00 N ATOM 0 H ARG A 81 21.665 -4.025 2.309 1.00 0.00 H new ATOM 0 HA ARG A 81 23.386 -5.959 3.609 1.00 0.00 H new ATOM 0 HB2 ARG A 81 22.213 -3.258 4.225 1.00 0.00 H new ATOM 0 HB3 ARG A 81 22.752 -4.251 5.564 1.00 0.00 H new ATOM 0 HG2 ARG A 81 25.011 -4.382 4.611 1.00 0.00 H new ATOM 0 HG3 ARG A 81 24.493 -3.502 3.186 1.00 0.00 H new ATOM 0 HD2 ARG A 81 25.445 -1.798 4.462 1.00 0.00 H new ATOM 0 HD3 ARG A 81 23.751 -1.643 4.881 1.00 0.00 H new ATOM 0 HE ARG A 81 25.180 -3.439 6.685 1.00 0.00 H new ATOM 0 HH11 ARG A 81 24.427 -0.073 5.932 1.00 0.00 H new ATOM 0 HH12 ARG A 81 24.680 0.475 7.592 1.00 0.00 H new ATOM 0 HH21 ARG A 81 25.502 -2.727 8.815 1.00 0.00 H new ATOM 0 HH22 ARG A 81 25.285 -1.020 9.217 1.00 0.00 H new ATOM 1165 N ASN A 82 20.452 -6.616 3.761 1.00 0.00 N ATOM 1166 CA ASN A 82 19.371 -7.381 4.373 1.00 0.00 C ATOM 1167 C ASN A 82 18.683 -6.570 5.468 1.00 0.00 C ATOM 1168 O ASN A 82 18.159 -7.129 6.433 1.00 0.00 O ATOM 1169 CB ASN A 82 19.910 -8.689 4.955 1.00 0.00 C ATOM 1170 CG ASN A 82 20.138 -9.745 3.890 1.00 0.00 C ATOM 1171 OD1 ASN A 82 19.421 -10.743 3.826 1.00 0.00 O ATOM 1172 ND2 ASN A 82 21.141 -9.527 3.047 1.00 0.00 N ATOM 0 H ASN A 82 20.377 -6.514 2.749 1.00 0.00 H new ATOM 0 HA ASN A 82 18.638 -7.610 3.599 1.00 0.00 H new ATOM 0 HB2 ASN A 82 20.848 -8.493 5.475 1.00 0.00 H new ATOM 0 HB3 ASN A 82 19.208 -9.070 5.696 1.00 0.00 H new ATOM 0 HD21 ASN A 82 21.343 -10.202 2.309 1.00 0.00 H new ATOM 0 HD22 ASN A 82 21.710 -8.685 3.138 1.00 0.00 H new ATOM 1179 N LEU A 83 18.687 -5.251 5.311 1.00 0.00 N ATOM 1180 CA LEU A 83 18.063 -4.363 6.285 1.00 0.00 C ATOM 1181 C LEU A 83 16.543 -4.484 6.237 1.00 0.00 C ATOM 1182 O LEU A 83 15.919 -4.176 5.222 1.00 0.00 O ATOM 1183 CB LEU A 83 18.479 -2.914 6.023 1.00 0.00 C ATOM 1184 CG LEU A 83 19.749 -2.442 6.731 1.00 0.00 C ATOM 1185 CD1 LEU A 83 20.268 -1.161 6.097 1.00 0.00 C ATOM 1186 CD2 LEU A 83 19.487 -2.237 8.216 1.00 0.00 C ATOM 0 H LEU A 83 19.115 -4.773 4.518 1.00 0.00 H new ATOM 0 HA LEU A 83 18.401 -4.658 7.278 1.00 0.00 H new ATOM 0 HB2 LEU A 83 18.616 -2.785 4.949 1.00 0.00 H new ATOM 0 HB3 LEU A 83 17.658 -2.262 6.320 1.00 0.00 H new ATOM 0 HG LEU A 83 20.512 -3.213 6.621 1.00 0.00 H new ATOM 0 HD11 LEU A 83 21.172 -0.840 6.614 1.00 0.00 H new ATOM 0 HD12 LEU A 83 20.495 -1.341 5.046 1.00 0.00 H new ATOM 0 HD13 LEU A 83 19.509 -0.383 6.176 1.00 0.00 H new ATOM 0 HD21 LEU A 83 20.402 -1.901 8.704 1.00 0.00 H new ATOM 0 HD22 LEU A 83 18.709 -1.486 8.348 1.00 0.00 H new ATOM 0 HD23 LEU A 83 19.163 -3.177 8.661 1.00 0.00 H new ATOM 1198 N GLN A 84 15.956 -4.933 7.341 1.00 0.00 N ATOM 1199 CA GLN A 84 14.509 -5.093 7.425 1.00 0.00 C ATOM 1200 C GLN A 84 13.840 -3.790 7.849 1.00 0.00 C ATOM 1201 O GLN A 84 14.245 -3.163 8.828 1.00 0.00 O ATOM 1202 CB GLN A 84 14.154 -6.207 8.412 1.00 0.00 C ATOM 1203 CG GLN A 84 12.726 -6.709 8.274 1.00 0.00 C ATOM 1204 CD GLN A 84 11.746 -5.919 9.119 1.00 0.00 C ATOM 1205 OE1 GLN A 84 10.813 -5.306 8.598 1.00 0.00 O ATOM 1206 NE2 GLN A 84 11.951 -5.929 10.431 1.00 0.00 N ATOM 0 H GLN A 84 16.459 -5.192 8.189 1.00 0.00 H new ATOM 0 HA GLN A 84 14.141 -5.363 6.435 1.00 0.00 H new ATOM 0 HB2 GLN A 84 14.840 -7.042 8.267 1.00 0.00 H new ATOM 0 HB3 GLN A 84 14.306 -5.843 9.428 1.00 0.00 H new ATOM 0 HG2 GLN A 84 12.425 -6.654 7.228 1.00 0.00 H new ATOM 0 HG3 GLN A 84 12.685 -7.759 8.563 1.00 0.00 H new ATOM 0 HE21 GLN A 84 12.737 -6.450 10.820 1.00 0.00 H new ATOM 0 HE22 GLN A 84 11.323 -5.415 11.049 1.00 0.00 H new ATOM 1215 N SER A 85 12.815 -3.387 7.105 1.00 0.00 N ATOM 1216 CA SER A 85 12.093 -2.155 7.402 1.00 0.00 C ATOM 1217 C SER A 85 10.773 -2.102 6.637 1.00 0.00 C ATOM 1218 O SER A 85 10.755 -2.146 5.408 1.00 0.00 O ATOM 1219 CB SER A 85 12.950 -0.939 7.049 1.00 0.00 C ATOM 1220 OG SER A 85 13.498 -1.061 5.748 1.00 0.00 O ATOM 0 H SER A 85 12.466 -3.895 6.293 1.00 0.00 H new ATOM 0 HA SER A 85 11.875 -2.138 8.470 1.00 0.00 H new ATOM 0 HB2 SER A 85 12.345 -0.034 7.109 1.00 0.00 H new ATOM 0 HB3 SER A 85 13.754 -0.833 7.777 1.00 0.00 H new ATOM 0 HG SER A 85 12.821 -1.425 5.141 1.00 0.00 H new ATOM 1226 N GLN A 86 9.672 -2.005 7.375 1.00 0.00 N ATOM 1227 CA GLN A 86 8.348 -1.946 6.767 1.00 0.00 C ATOM 1228 C GLN A 86 7.566 -0.742 7.282 1.00 0.00 C ATOM 1229 O GLN A 86 7.816 -0.252 8.383 1.00 0.00 O ATOM 1230 CB GLN A 86 7.574 -3.233 7.055 1.00 0.00 C ATOM 1231 CG GLN A 86 7.030 -3.312 8.473 1.00 0.00 C ATOM 1232 CD GLN A 86 6.524 -4.697 8.827 1.00 0.00 C ATOM 1233 OE1 GLN A 86 5.374 -4.864 9.234 1.00 0.00 O ATOM 1234 NE2 GLN A 86 7.383 -5.698 8.675 1.00 0.00 N ATOM 0 H GLN A 86 9.670 -1.966 8.394 1.00 0.00 H new ATOM 0 HA GLN A 86 8.475 -1.840 5.690 1.00 0.00 H new ATOM 0 HB2 GLN A 86 6.745 -3.314 6.352 1.00 0.00 H new ATOM 0 HB3 GLN A 86 8.227 -4.087 6.877 1.00 0.00 H new ATOM 0 HG2 GLN A 86 7.813 -3.025 9.175 1.00 0.00 H new ATOM 0 HG3 GLN A 86 6.219 -2.593 8.588 1.00 0.00 H new ATOM 0 HE21 GLN A 86 8.327 -5.513 8.335 1.00 0.00 H new ATOM 0 HE22 GLN A 86 7.099 -6.652 8.899 1.00 0.00 H new ATOM 1243 N SER A 87 6.619 -0.270 6.477 1.00 0.00 N ATOM 1244 CA SER A 87 5.803 0.879 6.849 1.00 0.00 C ATOM 1245 C SER A 87 4.333 0.630 6.526 1.00 0.00 C ATOM 1246 O SER A 87 4.002 0.088 5.472 1.00 0.00 O ATOM 1247 CB SER A 87 6.291 2.134 6.123 1.00 0.00 C ATOM 1248 OG SER A 87 5.864 3.309 6.791 1.00 0.00 O ATOM 0 H SER A 87 6.398 -0.666 5.563 1.00 0.00 H new ATOM 0 HA SER A 87 5.900 1.029 7.924 1.00 0.00 H new ATOM 0 HB2 SER A 87 7.379 2.122 6.061 1.00 0.00 H new ATOM 0 HB3 SER A 87 5.914 2.136 5.100 1.00 0.00 H new ATOM 0 HG SER A 87 6.190 4.097 6.308 1.00 0.00 H new ATOM 1254 N SER A 88 3.456 1.030 7.441 1.00 0.00 N ATOM 1255 CA SER A 88 2.021 0.847 7.256 1.00 0.00 C ATOM 1256 C SER A 88 1.362 2.145 6.802 1.00 0.00 C ATOM 1257 O SER A 88 1.842 3.238 7.104 1.00 0.00 O ATOM 1258 CB SER A 88 1.376 0.361 8.555 1.00 0.00 C ATOM 1259 OG SER A 88 1.699 1.219 9.637 1.00 0.00 O ATOM 0 H SER A 88 3.714 1.483 8.318 1.00 0.00 H new ATOM 0 HA SER A 88 1.872 0.095 6.481 1.00 0.00 H new ATOM 0 HB2 SER A 88 0.294 0.316 8.433 1.00 0.00 H new ATOM 0 HB3 SER A 88 1.714 -0.651 8.776 1.00 0.00 H new ATOM 0 HG SER A 88 1.274 0.888 10.455 1.00 0.00 H new ATOM 1265 N VAL A 89 0.258 2.018 6.073 1.00 0.00 N ATOM 1266 CA VAL A 89 -0.469 3.180 5.577 1.00 0.00 C ATOM 1267 C VAL A 89 -1.953 3.085 5.914 1.00 0.00 C ATOM 1268 O VAL A 89 -2.548 2.010 5.844 1.00 0.00 O ATOM 1269 CB VAL A 89 -0.309 3.334 4.053 1.00 0.00 C ATOM 1270 CG1 VAL A 89 -0.682 2.042 3.343 1.00 0.00 C ATOM 1271 CG2 VAL A 89 -1.151 4.494 3.543 1.00 0.00 C ATOM 0 H VAL A 89 -0.153 1.121 5.813 1.00 0.00 H new ATOM 0 HA VAL A 89 -0.043 4.054 6.070 1.00 0.00 H new ATOM 0 HB VAL A 89 0.737 3.551 3.836 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -0.563 2.170 2.267 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -0.032 1.237 3.687 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -1.719 1.791 3.565 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -1.026 4.588 2.464 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -2.201 4.310 3.772 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -0.831 5.417 4.027 1.00 0.00 H new ATOM 1281 N ASN A 90 -2.546 4.217 6.279 1.00 0.00 N ATOM 1282 CA ASN A 90 -3.961 4.262 6.627 1.00 0.00 C ATOM 1283 C ASN A 90 -4.813 4.581 5.401 1.00 0.00 C ATOM 1284 O ASN A 90 -4.735 5.677 4.846 1.00 0.00 O ATOM 1285 CB ASN A 90 -4.207 5.305 7.718 1.00 0.00 C ATOM 1286 CG ASN A 90 -3.794 4.813 9.092 1.00 0.00 C ATOM 1287 OD1 ASN A 90 -3.999 3.648 9.434 1.00 0.00 O ATOM 1288 ND2 ASN A 90 -3.210 5.701 9.887 1.00 0.00 N ATOM 0 H ASN A 90 -2.068 5.116 6.341 1.00 0.00 H new ATOM 0 HA ASN A 90 -4.248 3.280 7.002 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -3.654 6.214 7.479 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -5.264 5.569 7.732 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -2.911 5.428 10.823 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -3.060 6.656 9.562 1.00 0.00 H new ATOM 1295 N VAL A 91 -5.626 3.615 4.985 1.00 0.00 N ATOM 1296 CA VAL A 91 -6.494 3.793 3.827 1.00 0.00 C ATOM 1297 C VAL A 91 -7.959 3.850 4.242 1.00 0.00 C ATOM 1298 O VAL A 91 -8.570 2.824 4.541 1.00 0.00 O ATOM 1299 CB VAL A 91 -6.305 2.656 2.804 1.00 0.00 C ATOM 1300 CG1 VAL A 91 -7.215 2.863 1.603 1.00 0.00 C ATOM 1301 CG2 VAL A 91 -4.849 2.565 2.372 1.00 0.00 C ATOM 0 H VAL A 91 -5.702 2.702 5.433 1.00 0.00 H new ATOM 0 HA VAL A 91 -6.214 4.739 3.364 1.00 0.00 H new ATOM 0 HB VAL A 91 -6.578 1.713 3.278 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -7.068 2.051 0.891 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -8.254 2.874 1.932 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -6.976 3.813 1.125 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -4.734 1.757 1.650 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -4.546 3.507 1.915 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -4.223 2.366 3.242 1.00 0.00 H new ATOM 1311 N ILE A 92 -8.518 5.056 4.257 1.00 0.00 N ATOM 1312 CA ILE A 92 -9.913 5.246 4.634 1.00 0.00 C ATOM 1313 C ILE A 92 -10.813 5.290 3.405 1.00 0.00 C ATOM 1314 O ILE A 92 -10.466 5.893 2.389 1.00 0.00 O ATOM 1315 CB ILE A 92 -10.105 6.542 5.444 1.00 0.00 C ATOM 1316 CG1 ILE A 92 -9.377 6.443 6.787 1.00 0.00 C ATOM 1317 CG2 ILE A 92 -11.586 6.818 5.658 1.00 0.00 C ATOM 1318 CD1 ILE A 92 -8.890 7.776 7.309 1.00 0.00 C ATOM 0 H ILE A 92 -8.026 5.915 4.012 1.00 0.00 H new ATOM 0 HA ILE A 92 -10.191 4.394 5.255 1.00 0.00 H new ATOM 0 HB ILE A 92 -9.678 7.372 4.881 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -10.047 5.997 7.522 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -8.526 5.770 6.681 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -11.706 7.737 6.232 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -12.079 6.927 4.692 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -12.036 5.988 6.204 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -8.384 7.630 8.263 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -8.195 8.215 6.593 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -9.739 8.445 7.447 1.00 0.00 H new ATOM 1330 N VAL A 93 -11.974 4.650 3.504 1.00 0.00 N ATOM 1331 CA VAL A 93 -12.927 4.618 2.401 1.00 0.00 C ATOM 1332 C VAL A 93 -14.272 5.199 2.821 1.00 0.00 C ATOM 1333 O VAL A 93 -14.905 4.715 3.760 1.00 0.00 O ATOM 1334 CB VAL A 93 -13.139 3.183 1.884 1.00 0.00 C ATOM 1335 CG1 VAL A 93 -14.243 3.149 0.839 1.00 0.00 C ATOM 1336 CG2 VAL A 93 -11.841 2.624 1.319 1.00 0.00 C ATOM 0 H VAL A 93 -12.277 4.146 4.338 1.00 0.00 H new ATOM 0 HA VAL A 93 -12.506 5.226 1.600 1.00 0.00 H new ATOM 0 HB VAL A 93 -13.445 2.555 2.721 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -14.378 2.127 0.486 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -15.173 3.506 1.281 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -13.970 3.790 0.000 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -12.009 1.609 0.958 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -11.503 3.251 0.494 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -11.080 2.610 2.100 1.00 0.00 H new ATOM 1346 N LYS A 94 -14.705 6.241 2.119 1.00 0.00 N ATOM 1347 CA LYS A 94 -15.977 6.889 2.416 1.00 0.00 C ATOM 1348 C LYS A 94 -16.968 6.692 1.272 1.00 0.00 C ATOM 1349 O LYS A 94 -16.578 6.625 0.107 1.00 0.00 O ATOM 1350 CB LYS A 94 -15.765 8.383 2.670 1.00 0.00 C ATOM 1351 CG LYS A 94 -15.353 8.704 4.096 1.00 0.00 C ATOM 1352 CD LYS A 94 -14.788 10.110 4.210 1.00 0.00 C ATOM 1353 CE LYS A 94 -14.094 10.326 5.546 1.00 0.00 C ATOM 1354 NZ LYS A 94 -15.064 10.359 6.676 1.00 0.00 N ATOM 0 H LYS A 94 -14.193 6.655 1.340 1.00 0.00 H new ATOM 0 HA LYS A 94 -16.390 6.429 3.314 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -15.001 8.754 1.987 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -16.686 8.917 2.438 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -16.214 8.602 4.756 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -14.608 7.983 4.431 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -14.081 10.286 3.399 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -15.592 10.837 4.095 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -13.370 9.528 5.712 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -13.536 11.262 5.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -14.552 10.508 7.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -15.740 11.136 6.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -15.578 9.456 6.718 1.00 0.00 H new ATOM 1368 N GLU A 95 -18.249 6.603 1.614 1.00 0.00 N ATOM 1369 CA GLU A 95 -19.295 6.415 0.615 1.00 0.00 C ATOM 1370 C GLU A 95 -19.664 7.742 -0.041 1.00 0.00 C ATOM 1371 O GLU A 95 -19.269 8.809 0.428 1.00 0.00 O ATOM 1372 CB GLU A 95 -20.535 5.786 1.254 1.00 0.00 C ATOM 1373 CG GLU A 95 -20.762 6.216 2.694 1.00 0.00 C ATOM 1374 CD GLU A 95 -22.122 5.800 3.219 1.00 0.00 C ATOM 1375 OE1 GLU A 95 -22.957 5.347 2.408 1.00 0.00 O ATOM 1376 OE2 GLU A 95 -22.352 5.927 4.440 1.00 0.00 O ATOM 0 H GLU A 95 -18.588 6.658 2.575 1.00 0.00 H new ATOM 0 HA GLU A 95 -18.912 5.743 -0.153 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -21.412 6.050 0.662 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -20.441 4.701 1.218 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -19.985 5.784 3.325 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -20.665 7.299 2.765 1.00 0.00 H new