USER MOD reduce.3.24.130724 H: found=0, std=0, add=683, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 684 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 46 GLN : amide:sc= -2.59 K(o=-2.6,f=-6.3!) USER MOD Set 1.2: A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot -51:sc= 0.54 USER MOD Single : A 19 THR OG1 : rot 45:sc= -0.404! USER MOD Single : A 26 HIS : no HE2:sc= -8.25! C(o=-8.3!,f=-11!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 TYR OH : rot 100:sc= -3.76! USER MOD Single : A 61 THR OG1 : rot 180:sc= 0.00759 USER MOD Single : A 63 THR OG1 : rot 51:sc= 0.647 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot -55:sc= -1.29 USER MOD Single : A 92 SER OG : rot 70:sc= -0.82 USER MOD Single : A 93 ASN : amide:sc= -2.86 K(o=-2.9,f=-9.1!) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 ASN : amide:sc= -4.73! C(o=-4.7!,f=-7.9!) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N LEU A 8 5.290 16.706 -5.456 1.00 0.00 N ATOM 67 CA LEU A 8 4.530 15.950 -4.475 1.00 0.00 C ATOM 68 C LEU A 8 5.429 14.876 -3.858 1.00 0.00 C ATOM 69 O LEU A 8 6.027 14.075 -4.574 1.00 0.00 O ATOM 70 CB LEU A 8 3.250 15.393 -5.102 1.00 0.00 C ATOM 71 CG LEU A 8 2.443 14.427 -4.232 1.00 0.00 C ATOM 72 CD1 LEU A 8 2.040 15.084 -2.911 1.00 0.00 C ATOM 73 CD2 LEU A 8 1.232 13.885 -4.995 1.00 0.00 C ATOM 0 HA LEU A 8 4.204 16.600 -3.663 1.00 0.00 H new ATOM 0 HB2 LEU A 8 2.607 16.231 -5.373 1.00 0.00 H new ATOM 0 HB3 LEU A 8 3.515 14.882 -6.028 1.00 0.00 H new ATOM 0 HG LEU A 8 3.078 13.576 -3.987 1.00 0.00 H new ATOM 0 HD11 LEU A 8 1.468 14.376 -2.312 1.00 0.00 H new ATOM 0 HD12 LEU A 8 2.935 15.381 -2.365 1.00 0.00 H new ATOM 0 HD13 LEU A 8 1.430 15.964 -3.114 1.00 0.00 H new ATOM 0 HD21 LEU A 8 0.675 13.201 -4.355 1.00 0.00 H new ATOM 0 HD22 LEU A 8 0.587 14.713 -5.289 1.00 0.00 H new ATOM 0 HD23 LEU A 8 1.570 13.355 -5.885 1.00 0.00 H new ATOM 85 N SER A 9 5.496 14.895 -2.534 1.00 0.00 N ATOM 86 CA SER A 9 6.312 13.934 -1.813 1.00 0.00 C ATOM 87 C SER A 9 5.530 12.635 -1.605 1.00 0.00 C ATOM 88 O SER A 9 4.346 12.666 -1.275 1.00 0.00 O ATOM 89 CB SER A 9 6.769 14.500 -0.467 1.00 0.00 C ATOM 90 OG SER A 9 5.685 14.642 0.448 1.00 0.00 O ATOM 0 H SER A 9 4.998 15.561 -1.943 1.00 0.00 H new ATOM 0 HA SER A 9 7.200 13.724 -2.409 1.00 0.00 H new ATOM 0 HB2 SER A 9 7.524 13.843 -0.035 1.00 0.00 H new ATOM 0 HB3 SER A 9 7.241 15.470 -0.623 1.00 0.00 H new ATOM 0 HG SER A 9 4.958 15.140 0.019 1.00 0.00 H new ATOM 96 N PRO A 10 6.243 11.496 -1.812 1.00 0.00 N ATOM 97 CA PRO A 10 5.628 10.189 -1.651 1.00 0.00 C ATOM 98 C PRO A 10 5.446 9.848 -0.170 1.00 0.00 C ATOM 99 O PRO A 10 5.904 10.585 0.701 1.00 0.00 O ATOM 100 CB PRO A 10 6.557 9.226 -2.373 1.00 0.00 C ATOM 101 CG PRO A 10 7.885 9.952 -2.510 1.00 0.00 C ATOM 102 CD PRO A 10 7.647 11.421 -2.203 1.00 0.00 C ATOM 0 HA PRO A 10 4.623 10.142 -2.070 1.00 0.00 H new ATOM 0 HB2 PRO A 10 6.674 8.300 -1.810 1.00 0.00 H new ATOM 0 HB3 PRO A 10 6.157 8.956 -3.350 1.00 0.00 H new ATOM 0 HG2 PRO A 10 8.621 9.533 -1.824 1.00 0.00 H new ATOM 0 HG3 PRO A 10 8.283 9.832 -3.518 1.00 0.00 H new ATOM 0 HD2 PRO A 10 8.300 11.769 -1.403 1.00 0.00 H new ATOM 0 HD3 PRO A 10 7.849 12.045 -3.073 1.00 0.00 H new ATOM 110 N PRO A 11 4.760 8.699 0.075 1.00 0.00 N ATOM 111 CA PRO A 11 4.512 8.251 1.434 1.00 0.00 C ATOM 112 C PRO A 11 5.780 7.667 2.059 1.00 0.00 C ATOM 113 O PRO A 11 6.787 7.486 1.375 1.00 0.00 O ATOM 114 CB PRO A 11 3.387 7.236 1.315 1.00 0.00 C ATOM 115 CG PRO A 11 3.363 6.810 -0.144 1.00 0.00 C ATOM 116 CD PRO A 11 4.204 7.801 -0.933 1.00 0.00 C ATOM 0 HA PRO A 11 4.227 9.066 2.100 1.00 0.00 H new ATOM 0 HB2 PRO A 11 3.561 6.381 1.969 1.00 0.00 H new ATOM 0 HB3 PRO A 11 2.433 7.674 1.610 1.00 0.00 H new ATOM 0 HG2 PRO A 11 3.760 5.801 -0.254 1.00 0.00 H new ATOM 0 HG3 PRO A 11 2.340 6.793 -0.520 1.00 0.00 H new ATOM 0 HD2 PRO A 11 4.992 7.296 -1.491 1.00 0.00 H new ATOM 0 HD3 PRO A 11 3.599 8.345 -1.658 1.00 0.00 H new ATOM 124 N ARG A 12 5.691 7.387 3.351 1.00 0.00 N ATOM 125 CA ARG A 12 6.819 6.827 4.075 1.00 0.00 C ATOM 126 C ARG A 12 6.330 5.846 5.142 1.00 0.00 C ATOM 127 O ARG A 12 5.134 5.772 5.422 1.00 0.00 O ATOM 128 CB ARG A 12 7.645 7.927 4.745 1.00 0.00 C ATOM 129 CG ARG A 12 7.313 9.299 4.153 1.00 0.00 C ATOM 130 CD ARG A 12 7.997 10.416 4.943 1.00 0.00 C ATOM 131 NE ARG A 12 7.369 10.553 6.275 1.00 0.00 N ATOM 132 CZ ARG A 12 7.771 9.888 7.367 1.00 0.00 C ATOM 133 NH1 ARG A 12 8.804 9.038 7.291 1.00 0.00 N ATOM 134 NH2 ARG A 12 7.141 10.075 8.535 1.00 0.00 N ATOM 0 H ARG A 12 4.855 7.538 3.915 1.00 0.00 H new ATOM 0 HA ARG A 12 7.448 6.303 3.355 1.00 0.00 H new ATOM 0 HB2 ARG A 12 7.449 7.932 5.817 1.00 0.00 H new ATOM 0 HB3 ARG A 12 8.707 7.719 4.616 1.00 0.00 H new ATOM 0 HG2 ARG A 12 7.633 9.337 3.112 1.00 0.00 H new ATOM 0 HG3 ARG A 12 6.234 9.451 4.161 1.00 0.00 H new ATOM 0 HD2 ARG A 12 9.059 10.196 5.054 1.00 0.00 H new ATOM 0 HD3 ARG A 12 7.921 11.357 4.398 1.00 0.00 H new ATOM 0 HE ARG A 12 6.581 11.194 6.368 1.00 0.00 H new ATOM 0 HH11 ARG A 12 9.284 8.897 6.402 1.00 0.00 H new ATOM 0 HH12 ARG A 12 9.110 8.532 8.122 1.00 0.00 H new ATOM 0 HH21 ARG A 12 6.356 10.723 8.593 1.00 0.00 H new ATOM 0 HH22 ARG A 12 7.447 9.569 9.366 1.00 0.00 H new ATOM 148 N GLY A 13 7.279 5.117 5.710 1.00 0.00 N ATOM 149 CA GLY A 13 6.960 4.143 6.740 1.00 0.00 C ATOM 150 C GLY A 13 5.917 3.141 6.243 1.00 0.00 C ATOM 151 O GLY A 13 4.995 2.784 6.975 1.00 0.00 O ATOM 0 H GLY A 13 8.270 5.181 5.476 1.00 0.00 H new ATOM 0 HA2 GLY A 13 7.865 3.614 7.038 1.00 0.00 H new ATOM 0 HA3 GLY A 13 6.584 4.655 7.626 1.00 0.00 H new ATOM 155 N LEU A 14 6.097 2.714 5.002 1.00 0.00 N ATOM 156 CA LEU A 14 5.182 1.760 4.398 1.00 0.00 C ATOM 157 C LEU A 14 5.593 0.342 4.799 1.00 0.00 C ATOM 158 O LEU A 14 6.616 -0.165 4.341 1.00 0.00 O ATOM 159 CB LEU A 14 5.107 1.974 2.885 1.00 0.00 C ATOM 160 CG LEU A 14 4.014 1.194 2.151 1.00 0.00 C ATOM 161 CD1 LEU A 14 4.616 0.077 1.297 1.00 0.00 C ATOM 162 CD2 LEU A 14 2.966 0.665 3.131 1.00 0.00 C ATOM 0 H LEU A 14 6.863 3.011 4.398 1.00 0.00 H new ATOM 0 HA LEU A 14 4.169 1.916 4.769 1.00 0.00 H new ATOM 0 HB2 LEU A 14 4.957 3.037 2.695 1.00 0.00 H new ATOM 0 HB3 LEU A 14 6.071 1.706 2.452 1.00 0.00 H new ATOM 0 HG LEU A 14 3.504 1.878 1.472 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.817 -0.461 0.786 1.00 0.00 H new ATOM 0 HD12 LEU A 14 5.293 0.508 0.559 1.00 0.00 H new ATOM 0 HD13 LEU A 14 5.167 -0.613 1.936 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.201 0.115 2.583 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.444 0.002 3.852 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.505 1.501 3.657 1.00 0.00 H new ATOM 174 N VAL A 15 4.775 -0.258 5.652 1.00 0.00 N ATOM 175 CA VAL A 15 5.041 -1.607 6.120 1.00 0.00 C ATOM 176 C VAL A 15 3.783 -2.460 5.944 1.00 0.00 C ATOM 177 O VAL A 15 2.705 -1.934 5.674 1.00 0.00 O ATOM 178 CB VAL A 15 5.541 -1.570 7.566 1.00 0.00 C ATOM 179 CG1 VAL A 15 7.032 -1.232 7.622 1.00 0.00 C ATOM 180 CG2 VAL A 15 4.723 -0.586 8.404 1.00 0.00 C ATOM 0 H VAL A 15 3.928 0.166 6.031 1.00 0.00 H new ATOM 0 HA VAL A 15 5.832 -2.068 5.528 1.00 0.00 H new ATOM 0 HB VAL A 15 5.407 -2.564 7.992 1.00 0.00 H new ATOM 0 HG11 VAL A 15 7.362 -1.212 8.661 1.00 0.00 H new ATOM 0 HG12 VAL A 15 7.597 -1.988 7.076 1.00 0.00 H new ATOM 0 HG13 VAL A 15 7.201 -0.255 7.169 1.00 0.00 H new ATOM 0 HG21 VAL A 15 5.099 -0.579 9.427 1.00 0.00 H new ATOM 0 HG22 VAL A 15 4.810 0.414 7.979 1.00 0.00 H new ATOM 0 HG23 VAL A 15 3.676 -0.891 8.404 1.00 0.00 H new ATOM 190 N ALA A 16 3.964 -3.763 6.103 1.00 0.00 N ATOM 191 CA ALA A 16 2.857 -4.695 5.965 1.00 0.00 C ATOM 192 C ALA A 16 2.868 -5.671 7.142 1.00 0.00 C ATOM 193 O ALA A 16 3.741 -6.533 7.230 1.00 0.00 O ATOM 194 CB ALA A 16 2.955 -5.408 4.615 1.00 0.00 C ATOM 0 H ALA A 16 4.860 -4.196 6.326 1.00 0.00 H new ATOM 0 HA ALA A 16 1.905 -4.165 5.985 1.00 0.00 H new ATOM 0 HB1 ALA A 16 2.125 -6.107 4.512 1.00 0.00 H new ATOM 0 HB2 ALA A 16 2.913 -4.673 3.811 1.00 0.00 H new ATOM 0 HB3 ALA A 16 3.897 -5.953 4.559 1.00 0.00 H new ATOM 200 N VAL A 17 1.888 -5.504 8.018 1.00 0.00 N ATOM 201 CA VAL A 17 1.774 -6.360 9.186 1.00 0.00 C ATOM 202 C VAL A 17 0.689 -7.411 8.939 1.00 0.00 C ATOM 203 O VAL A 17 -0.482 -7.072 8.774 1.00 0.00 O ATOM 204 CB VAL A 17 1.512 -5.512 10.433 1.00 0.00 C ATOM 205 CG1 VAL A 17 0.319 -4.579 10.220 1.00 0.00 C ATOM 206 CG2 VAL A 17 1.304 -6.397 11.664 1.00 0.00 C ATOM 0 H VAL A 17 1.165 -4.788 7.942 1.00 0.00 H new ATOM 0 HA VAL A 17 2.709 -6.893 9.362 1.00 0.00 H new ATOM 0 HB VAL A 17 2.393 -4.894 10.610 1.00 0.00 H new ATOM 0 HG11 VAL A 17 0.154 -3.988 11.121 1.00 0.00 H new ATOM 0 HG12 VAL A 17 0.523 -3.913 9.381 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -0.571 -5.170 10.006 1.00 0.00 H new ATOM 0 HG21 VAL A 17 1.120 -5.770 12.536 1.00 0.00 H new ATOM 0 HG22 VAL A 17 0.448 -7.052 11.501 1.00 0.00 H new ATOM 0 HG23 VAL A 17 2.196 -7.001 11.833 1.00 0.00 H new ATOM 216 N ARG A 18 1.117 -8.664 8.922 1.00 0.00 N ATOM 217 CA ARG A 18 0.197 -9.766 8.698 1.00 0.00 C ATOM 218 C ARG A 18 -0.766 -9.902 9.879 1.00 0.00 C ATOM 219 O ARG A 18 -0.337 -10.091 11.016 1.00 0.00 O ATOM 220 CB ARG A 18 0.951 -11.084 8.510 1.00 0.00 C ATOM 221 CG ARG A 18 0.282 -11.951 7.442 1.00 0.00 C ATOM 222 CD ARG A 18 -0.371 -13.185 8.067 1.00 0.00 C ATOM 223 NE ARG A 18 -1.270 -13.834 7.086 1.00 0.00 N ATOM 224 CZ ARG A 18 -2.402 -13.285 6.626 1.00 0.00 C ATOM 225 NH1 ARG A 18 -2.781 -12.073 7.055 1.00 0.00 N ATOM 226 NH2 ARG A 18 -3.155 -13.947 5.737 1.00 0.00 N ATOM 0 H ARG A 18 2.089 -8.941 9.060 1.00 0.00 H new ATOM 0 HA ARG A 18 -0.365 -9.549 7.789 1.00 0.00 H new ATOM 0 HB2 ARG A 18 1.983 -10.879 8.223 1.00 0.00 H new ATOM 0 HB3 ARG A 18 0.984 -11.626 9.455 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -0.470 -11.366 6.913 1.00 0.00 H new ATOM 0 HG3 ARG A 18 1.022 -12.261 6.704 1.00 0.00 H new ATOM 0 HD2 ARG A 18 0.396 -13.888 8.390 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -0.935 -12.898 8.955 1.00 0.00 H new ATOM 0 HE ARG A 18 -1.011 -14.757 6.738 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -2.208 -11.569 7.731 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -3.643 -11.655 6.705 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -2.866 -14.869 5.410 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -4.017 -13.529 5.387 1.00 0.00 H new ATOM 240 N THR A 19 -2.050 -9.800 9.569 1.00 0.00 N ATOM 241 CA THR A 19 -3.078 -9.909 10.591 1.00 0.00 C ATOM 242 C THR A 19 -3.994 -11.099 10.301 1.00 0.00 C ATOM 243 O THR A 19 -3.977 -11.647 9.199 1.00 0.00 O ATOM 244 CB THR A 19 -3.820 -8.573 10.659 1.00 0.00 C ATOM 245 OG1 THR A 19 -3.879 -8.139 9.303 1.00 0.00 O ATOM 246 CG2 THR A 19 -3.006 -7.486 11.364 1.00 0.00 C ATOM 0 H THR A 19 -2.402 -9.643 8.625 1.00 0.00 H new ATOM 0 HA THR A 19 -2.643 -10.106 11.571 1.00 0.00 H new ATOM 0 HB THR A 19 -4.768 -8.711 11.179 1.00 0.00 H new ATOM 0 HG1 THR A 19 -4.146 -8.888 8.731 1.00 0.00 H new ATOM 0 HG21 THR A 19 -3.578 -6.559 11.385 1.00 0.00 H new ATOM 0 HG22 THR A 19 -2.787 -7.800 12.384 1.00 0.00 H new ATOM 0 HG23 THR A 19 -2.072 -7.324 10.826 1.00 0.00 H new ATOM 254 N PRO A 20 -4.794 -11.474 11.335 1.00 0.00 N ATOM 255 CA PRO A 20 -5.716 -12.589 11.202 1.00 0.00 C ATOM 256 C PRO A 20 -6.931 -12.198 10.358 1.00 0.00 C ATOM 257 O PRO A 20 -7.829 -13.011 10.142 1.00 0.00 O ATOM 258 CB PRO A 20 -6.081 -12.971 12.627 1.00 0.00 C ATOM 259 CG PRO A 20 -5.720 -11.769 13.485 1.00 0.00 C ATOM 260 CD PRO A 20 -4.842 -10.849 12.653 1.00 0.00 C ATOM 0 HA PRO A 20 -5.277 -13.437 10.677 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -7.142 -13.205 12.709 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -5.533 -13.858 12.946 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -6.620 -11.247 13.809 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -5.194 -12.087 14.385 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -5.261 -9.844 12.600 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -3.845 -10.757 13.084 1.00 0.00 H new ATOM 268 N ARG A 21 -6.921 -10.954 9.904 1.00 0.00 N ATOM 269 CA ARG A 21 -8.011 -10.445 9.089 1.00 0.00 C ATOM 270 C ARG A 21 -7.499 -10.058 7.700 1.00 0.00 C ATOM 271 O ARG A 21 -8.288 -9.772 6.801 1.00 0.00 O ATOM 272 CB ARG A 21 -8.665 -9.226 9.742 1.00 0.00 C ATOM 273 CG ARG A 21 -9.068 -9.528 11.186 1.00 0.00 C ATOM 274 CD ARG A 21 -8.910 -8.289 12.070 1.00 0.00 C ATOM 275 NE ARG A 21 -9.724 -8.437 13.298 1.00 0.00 N ATOM 276 CZ ARG A 21 -9.760 -7.534 14.288 1.00 0.00 C ATOM 277 NH1 ARG A 21 -9.028 -6.415 14.201 1.00 0.00 N ATOM 278 NH2 ARG A 21 -10.526 -7.752 15.365 1.00 0.00 N ATOM 0 H ARG A 21 -6.175 -10.283 10.085 1.00 0.00 H new ATOM 0 HA ARG A 21 -8.755 -11.237 8.998 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -7.974 -8.384 9.722 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -9.544 -8.930 9.170 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -10.103 -9.870 11.215 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -8.453 -10.339 11.577 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -7.861 -8.151 12.333 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -9.221 -7.399 11.523 1.00 0.00 H new ATOM 0 HE ARG A 21 -10.293 -9.278 13.397 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -8.443 -6.250 13.381 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -9.055 -5.728 14.954 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -11.082 -8.605 15.432 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -10.554 -7.065 16.119 1.00 0.00 H new ATOM 292 N GLY A 22 -6.181 -10.062 7.568 1.00 0.00 N ATOM 293 CA GLY A 22 -5.554 -9.715 6.303 1.00 0.00 C ATOM 294 C GLY A 22 -4.160 -9.126 6.526 1.00 0.00 C ATOM 295 O GLY A 22 -3.404 -9.612 7.365 1.00 0.00 O ATOM 0 H GLY A 22 -5.529 -10.300 8.316 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -5.482 -10.602 5.673 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -6.176 -8.996 5.770 1.00 0.00 H new ATOM 299 N VAL A 23 -3.861 -8.088 5.759 1.00 0.00 N ATOM 300 CA VAL A 23 -2.571 -7.428 5.861 1.00 0.00 C ATOM 301 C VAL A 23 -2.785 -5.921 6.017 1.00 0.00 C ATOM 302 O VAL A 23 -3.300 -5.266 5.112 1.00 0.00 O ATOM 303 CB VAL A 23 -1.702 -7.786 4.654 1.00 0.00 C ATOM 304 CG1 VAL A 23 -0.670 -6.691 4.377 1.00 0.00 C ATOM 305 CG2 VAL A 23 -1.023 -9.143 4.851 1.00 0.00 C ATOM 0 H VAL A 23 -4.491 -7.688 5.064 1.00 0.00 H new ATOM 0 HA VAL A 23 -2.034 -7.774 6.745 1.00 0.00 H new ATOM 0 HB VAL A 23 -2.353 -7.860 3.783 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -0.066 -6.971 3.514 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -1.183 -5.751 4.172 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -0.025 -6.570 5.248 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -0.411 -9.374 3.979 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -0.391 -9.108 5.739 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -1.782 -9.915 4.976 1.00 0.00 H new ATOM 315 N LEU A 24 -2.378 -5.414 7.172 1.00 0.00 N ATOM 316 CA LEU A 24 -2.519 -3.997 7.459 1.00 0.00 C ATOM 317 C LEU A 24 -1.265 -3.259 6.987 1.00 0.00 C ATOM 318 O LEU A 24 -0.177 -3.473 7.519 1.00 0.00 O ATOM 319 CB LEU A 24 -2.841 -3.778 8.938 1.00 0.00 C ATOM 320 CG LEU A 24 -4.185 -3.113 9.241 1.00 0.00 C ATOM 321 CD1 LEU A 24 -4.500 -3.170 10.737 1.00 0.00 C ATOM 322 CD2 LEU A 24 -4.222 -1.682 8.702 1.00 0.00 C ATOM 0 H LEU A 24 -1.950 -5.960 7.920 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.362 -3.579 6.909 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -2.814 -4.744 9.442 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -2.050 -3.169 9.375 1.00 0.00 H new ATOM 0 HG LEU A 24 -4.966 -3.672 8.726 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -5.461 -2.690 10.925 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -4.544 -4.210 11.060 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.720 -2.650 11.293 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -5.188 -1.232 8.931 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -3.430 -1.097 9.169 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -4.075 -1.696 7.622 1.00 0.00 H new ATOM 334 N LEU A 25 -1.459 -2.405 5.992 1.00 0.00 N ATOM 335 CA LEU A 25 -0.356 -1.633 5.443 1.00 0.00 C ATOM 336 C LEU A 25 -0.276 -0.284 6.160 1.00 0.00 C ATOM 337 O LEU A 25 -1.157 0.560 6.003 1.00 0.00 O ATOM 338 CB LEU A 25 -0.491 -1.515 3.923 1.00 0.00 C ATOM 339 CG LEU A 25 -0.283 -2.807 3.129 1.00 0.00 C ATOM 340 CD1 LEU A 25 0.412 -3.869 3.983 1.00 0.00 C ATOM 341 CD2 LEU A 25 -1.605 -3.312 2.549 1.00 0.00 C ATOM 0 H LEU A 25 -2.363 -2.231 5.552 1.00 0.00 H new ATOM 0 HA LEU A 25 0.591 -2.143 5.618 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.484 -1.128 3.695 1.00 0.00 H new ATOM 0 HB3 LEU A 25 0.228 -0.775 3.571 1.00 0.00 H new ATOM 0 HG LEU A 25 0.375 -2.590 2.288 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.548 -4.777 3.395 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.384 -3.497 4.306 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.200 -4.091 4.857 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.429 -4.231 1.990 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.306 -3.509 3.360 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -2.023 -2.556 1.884 1.00 0.00 H new ATOM 353 N HIS A 26 0.789 -0.123 6.931 1.00 0.00 N ATOM 354 CA HIS A 26 0.995 1.110 7.673 1.00 0.00 C ATOM 355 C HIS A 26 1.954 2.018 6.901 1.00 0.00 C ATOM 356 O HIS A 26 3.059 1.607 6.551 1.00 0.00 O ATOM 357 CB HIS A 26 1.475 0.814 9.095 1.00 0.00 C ATOM 358 CG HIS A 26 0.691 -0.270 9.795 1.00 0.00 C ATOM 359 ND1 HIS A 26 0.974 -0.687 11.084 1.00 0.00 N ATOM 360 CD2 HIS A 26 -0.369 -1.017 9.373 1.00 0.00 C ATOM 361 CE1 HIS A 26 0.117 -1.643 11.412 1.00 0.00 C ATOM 362 NE2 HIS A 26 -0.714 -1.847 10.350 1.00 0.00 N ATOM 0 H HIS A 26 1.518 -0.825 7.058 1.00 0.00 H new ATOM 0 HA HIS A 26 0.048 1.641 7.774 1.00 0.00 H new ATOM 0 HB2 HIS A 26 2.525 0.524 9.060 1.00 0.00 H new ATOM 0 HB3 HIS A 26 1.417 1.729 9.685 1.00 0.00 H new ATOM 0 HD1 HIS A 26 1.716 -0.321 11.680 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -0.847 -0.945 8.407 1.00 0.00 H new ATOM 0 HE1 HIS A 26 0.083 -2.168 12.355 1.00 0.00 H new ATOM 370 N TRP A 27 1.495 3.237 6.657 1.00 0.00 N ATOM 371 CA TRP A 27 2.298 4.208 5.933 1.00 0.00 C ATOM 372 C TRP A 27 2.191 5.549 6.663 1.00 0.00 C ATOM 373 O TRP A 27 1.471 5.665 7.653 1.00 0.00 O ATOM 374 CB TRP A 27 1.869 4.289 4.467 1.00 0.00 C ATOM 375 CG TRP A 27 0.456 4.837 4.261 1.00 0.00 C ATOM 376 CD1 TRP A 27 0.064 6.118 4.225 1.00 0.00 C ATOM 377 CD2 TRP A 27 -0.746 4.062 4.064 1.00 0.00 C ATOM 378 NE1 TRP A 27 -1.297 6.225 4.020 1.00 0.00 N ATOM 379 CE2 TRP A 27 -1.805 4.935 3.919 1.00 0.00 C ATOM 380 CE3 TRP A 27 -0.932 2.669 4.010 1.00 0.00 C ATOM 381 CZ2 TRP A 27 -3.123 4.513 3.710 1.00 0.00 C ATOM 382 CZ3 TRP A 27 -2.256 2.264 3.801 1.00 0.00 C ATOM 383 CH2 TRP A 27 -3.333 3.130 3.653 1.00 0.00 C ATOM 0 H TRP A 27 0.577 3.574 6.948 1.00 0.00 H new ATOM 0 HA TRP A 27 3.345 3.905 5.914 1.00 0.00 H new ATOM 0 HB2 TRP A 27 2.575 4.920 3.927 1.00 0.00 H new ATOM 0 HB3 TRP A 27 1.930 3.294 4.026 1.00 0.00 H new ATOM 0 HD1 TRP A 27 0.729 6.961 4.342 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -1.832 7.091 3.955 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -0.118 1.967 4.121 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -3.935 5.217 3.599 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -2.454 1.204 3.751 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -4.327 2.738 3.495 1.00 0.00 H new ATOM 394 N ASP A 28 2.918 6.528 6.145 1.00 0.00 N ATOM 395 CA ASP A 28 2.914 7.856 6.734 1.00 0.00 C ATOM 396 C ASP A 28 2.490 8.877 5.677 1.00 0.00 C ATOM 397 O ASP A 28 2.671 8.650 4.482 1.00 0.00 O ATOM 398 CB ASP A 28 4.308 8.242 7.232 1.00 0.00 C ATOM 399 CG ASP A 28 4.466 8.273 8.754 1.00 0.00 C ATOM 400 OD1 ASP A 28 3.512 8.739 9.414 1.00 0.00 O ATOM 401 OD2 ASP A 28 5.537 7.829 9.222 1.00 0.00 O ATOM 0 H ASP A 28 3.514 6.428 5.323 1.00 0.00 H new ATOM 0 HA ASP A 28 2.220 7.850 7.574 1.00 0.00 H new ATOM 0 HB2 ASP A 28 5.032 7.538 6.821 1.00 0.00 H new ATOM 0 HB3 ASP A 28 4.559 9.226 6.836 1.00 0.00 H new ATOM 406 N PRO A 29 1.919 10.009 6.168 1.00 0.00 N ATOM 407 CA PRO A 29 1.467 11.066 5.279 1.00 0.00 C ATOM 408 C PRO A 29 2.652 11.862 4.728 1.00 0.00 C ATOM 409 O PRO A 29 3.671 12.011 5.400 1.00 0.00 O ATOM 410 CB PRO A 29 0.524 11.911 6.119 1.00 0.00 C ATOM 411 CG PRO A 29 0.840 11.573 7.567 1.00 0.00 C ATOM 412 CD PRO A 29 1.688 10.312 7.578 1.00 0.00 C ATOM 0 HA PRO A 29 0.956 10.683 4.395 1.00 0.00 H new ATOM 0 HB2 PRO A 29 0.673 12.973 5.924 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -0.516 11.687 5.884 1.00 0.00 H new ATOM 0 HG2 PRO A 29 1.373 12.396 8.043 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -0.079 11.420 8.132 1.00 0.00 H new ATOM 0 HD2 PRO A 29 2.627 10.471 8.108 1.00 0.00 H new ATOM 0 HD3 PRO A 29 1.173 9.493 8.080 1.00 0.00 H new ATOM 420 N PRO A 30 2.474 12.365 3.477 1.00 0.00 N ATOM 421 CA PRO A 30 3.516 13.142 2.827 1.00 0.00 C ATOM 422 C PRO A 30 3.600 14.550 3.419 1.00 0.00 C ATOM 423 O PRO A 30 2.608 15.278 3.442 1.00 0.00 O ATOM 424 CB PRO A 30 3.149 13.138 1.353 1.00 0.00 C ATOM 425 CG PRO A 30 1.678 12.759 1.291 1.00 0.00 C ATOM 426 CD PRO A 30 1.281 12.208 2.650 1.00 0.00 C ATOM 0 HA PRO A 30 4.510 12.721 2.977 1.00 0.00 H new ATOM 0 HB2 PRO A 30 3.319 14.117 0.905 1.00 0.00 H new ATOM 0 HB3 PRO A 30 3.760 12.424 0.800 1.00 0.00 H new ATOM 0 HG2 PRO A 30 1.070 13.628 1.039 1.00 0.00 H new ATOM 0 HG3 PRO A 30 1.508 12.015 0.513 1.00 0.00 H new ATOM 0 HD2 PRO A 30 0.435 12.755 3.067 1.00 0.00 H new ATOM 0 HD3 PRO A 30 0.982 11.162 2.581 1.00 0.00 H new ATOM 434 N GLU A 31 4.793 14.893 3.884 1.00 0.00 N ATOM 435 CA GLU A 31 5.018 16.201 4.474 1.00 0.00 C ATOM 436 C GLU A 31 5.163 17.260 3.379 1.00 0.00 C ATOM 437 O GLU A 31 4.715 18.394 3.544 1.00 0.00 O ATOM 438 CB GLU A 31 6.246 16.186 5.387 1.00 0.00 C ATOM 439 CG GLU A 31 6.492 17.567 5.998 1.00 0.00 C ATOM 440 CD GLU A 31 6.731 17.465 7.506 1.00 0.00 C ATOM 441 OE1 GLU A 31 7.376 16.474 7.913 1.00 0.00 O ATOM 442 OE2 GLU A 31 6.263 18.380 8.218 1.00 0.00 O ATOM 0 H GLU A 31 5.613 14.287 3.864 1.00 0.00 H new ATOM 0 HA GLU A 31 4.153 16.455 5.086 1.00 0.00 H new ATOM 0 HB2 GLU A 31 6.104 15.453 6.181 1.00 0.00 H new ATOM 0 HB3 GLU A 31 7.122 15.875 4.819 1.00 0.00 H new ATOM 0 HG2 GLU A 31 7.355 18.032 5.520 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.635 18.212 5.805 1.00 0.00 H new ATOM 449 N LEU A 32 5.789 16.852 2.285 1.00 0.00 N ATOM 450 CA LEU A 32 5.997 17.751 1.163 1.00 0.00 C ATOM 451 C LEU A 32 4.924 17.495 0.103 1.00 0.00 C ATOM 452 O LEU A 32 5.111 16.667 -0.787 1.00 0.00 O ATOM 453 CB LEU A 32 7.427 17.625 0.634 1.00 0.00 C ATOM 454 CG LEU A 32 8.429 18.656 1.157 1.00 0.00 C ATOM 455 CD1 LEU A 32 9.724 18.624 0.343 1.00 0.00 C ATOM 456 CD2 LEU A 32 7.809 20.054 1.193 1.00 0.00 C ATOM 0 H LEU A 32 6.159 15.911 2.152 1.00 0.00 H new ATOM 0 HA LEU A 32 5.889 18.788 1.481 1.00 0.00 H new ATOM 0 HB2 LEU A 32 7.798 16.630 0.880 1.00 0.00 H new ATOM 0 HB3 LEU A 32 7.398 17.695 -0.453 1.00 0.00 H new ATOM 0 HG LEU A 32 8.687 18.392 2.183 1.00 0.00 H new ATOM 0 HD11 LEU A 32 10.419 19.366 0.736 1.00 0.00 H new ATOM 0 HD12 LEU A 32 10.173 17.633 0.413 1.00 0.00 H new ATOM 0 HD13 LEU A 32 9.504 18.849 -0.700 1.00 0.00 H new ATOM 0 HD21 LEU A 32 8.542 20.768 1.569 1.00 0.00 H new ATOM 0 HD22 LEU A 32 7.504 20.343 0.187 1.00 0.00 H new ATOM 0 HD23 LEU A 32 6.938 20.049 1.849 1.00 0.00 H new ATOM 468 N VAL A 33 3.823 18.221 0.233 1.00 0.00 N ATOM 469 CA VAL A 33 2.721 18.082 -0.703 1.00 0.00 C ATOM 470 C VAL A 33 2.403 19.447 -1.316 1.00 0.00 C ATOM 471 O VAL A 33 2.582 20.478 -0.670 1.00 0.00 O ATOM 472 CB VAL A 33 1.517 17.446 -0.003 1.00 0.00 C ATOM 473 CG1 VAL A 33 1.682 17.488 1.518 1.00 0.00 C ATOM 474 CG2 VAL A 33 0.214 18.122 -0.432 1.00 0.00 C ATOM 0 H VAL A 33 3.671 18.907 0.972 1.00 0.00 H new ATOM 0 HA VAL A 33 2.996 17.415 -1.520 1.00 0.00 H new ATOM 0 HB VAL A 33 1.467 16.400 -0.306 1.00 0.00 H new ATOM 0 HG11 VAL A 33 0.813 17.030 1.991 1.00 0.00 H new ATOM 0 HG12 VAL A 33 2.581 16.940 1.802 1.00 0.00 H new ATOM 0 HG13 VAL A 33 1.770 18.524 1.846 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -0.626 17.651 0.080 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.250 19.180 -0.172 1.00 0.00 H new ATOM 0 HG23 VAL A 33 0.087 18.017 -1.510 1.00 0.00 H new ATOM 484 N PRO A 34 1.925 19.408 -2.588 1.00 0.00 N ATOM 485 CA PRO A 34 1.581 20.630 -3.296 1.00 0.00 C ATOM 486 C PRO A 34 0.261 21.208 -2.781 1.00 0.00 C ATOM 487 O PRO A 34 0.083 22.425 -2.749 1.00 0.00 O ATOM 488 CB PRO A 34 1.523 20.232 -4.762 1.00 0.00 C ATOM 489 CG PRO A 34 1.378 18.719 -4.778 1.00 0.00 C ATOM 490 CD PRO A 34 1.700 18.205 -3.384 1.00 0.00 C ATOM 0 HA PRO A 34 2.310 21.426 -3.142 1.00 0.00 H new ATOM 0 HB2 PRO A 34 0.682 20.710 -5.263 1.00 0.00 H new ATOM 0 HB3 PRO A 34 2.426 20.543 -5.287 1.00 0.00 H new ATOM 0 HG2 PRO A 34 0.365 18.436 -5.065 1.00 0.00 H new ATOM 0 HG3 PRO A 34 2.052 18.279 -5.512 1.00 0.00 H new ATOM 0 HD2 PRO A 34 0.879 17.612 -2.981 1.00 0.00 H new ATOM 0 HD3 PRO A 34 2.582 17.565 -3.392 1.00 0.00 H new ATOM 498 N LYS A 35 -0.630 20.309 -2.391 1.00 0.00 N ATOM 499 CA LYS A 35 -1.928 20.715 -1.880 1.00 0.00 C ATOM 500 C LYS A 35 -2.411 19.688 -0.853 1.00 0.00 C ATOM 501 O LYS A 35 -1.901 19.637 0.265 1.00 0.00 O ATOM 502 CB LYS A 35 -2.911 20.942 -3.030 1.00 0.00 C ATOM 503 CG LYS A 35 -2.761 22.351 -3.609 1.00 0.00 C ATOM 504 CD LYS A 35 -4.097 23.097 -3.588 1.00 0.00 C ATOM 505 CE LYS A 35 -3.944 24.509 -4.157 1.00 0.00 C ATOM 506 NZ LYS A 35 -4.002 25.514 -3.071 1.00 0.00 N ATOM 0 H LYS A 35 -0.479 19.301 -2.419 1.00 0.00 H new ATOM 0 HA LYS A 35 -1.851 21.672 -1.364 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -2.738 20.203 -3.812 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -3.931 20.797 -2.675 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -2.021 22.907 -3.034 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -2.390 22.290 -4.632 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -4.835 22.545 -4.169 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -4.472 23.151 -2.566 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -2.996 24.593 -4.688 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -4.734 24.703 -4.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -3.897 26.467 -3.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -4.917 25.444 -2.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -3.233 25.338 -2.393 1.00 0.00 H new ATOM 520 N ARG A 36 -3.388 18.896 -1.269 1.00 0.00 N ATOM 521 CA ARG A 36 -3.945 17.874 -0.400 1.00 0.00 C ATOM 522 C ARG A 36 -3.871 16.504 -1.077 1.00 0.00 C ATOM 523 O ARG A 36 -3.909 16.411 -2.303 1.00 0.00 O ATOM 524 CB ARG A 36 -5.401 18.184 -0.048 1.00 0.00 C ATOM 525 CG ARG A 36 -5.487 19.291 1.005 1.00 0.00 C ATOM 526 CD ARG A 36 -6.943 19.617 1.340 1.00 0.00 C ATOM 527 NE ARG A 36 -7.201 21.059 1.125 1.00 0.00 N ATOM 528 CZ ARG A 36 -8.425 21.598 1.041 1.00 0.00 C ATOM 529 NH1 ARG A 36 -9.510 20.820 1.153 1.00 0.00 N ATOM 530 NH2 ARG A 36 -8.564 22.917 0.845 1.00 0.00 N ATOM 0 H ARG A 36 -3.808 18.942 -2.197 1.00 0.00 H new ATOM 0 HA ARG A 36 -3.357 17.862 0.517 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -5.939 18.489 -0.946 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -5.888 17.283 0.325 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -4.963 18.980 1.909 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -4.985 20.186 0.638 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -7.610 19.023 0.716 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -7.155 19.352 2.376 1.00 0.00 H new ATOM 0 HE ARG A 36 -6.397 21.681 1.035 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -9.405 19.816 1.302 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -10.441 21.231 1.089 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -7.738 23.510 0.760 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -9.495 23.328 0.781 1.00 0.00 H new ATOM 544 N LEU A 37 -3.769 15.475 -0.249 1.00 0.00 N ATOM 545 CA LEU A 37 -3.690 14.114 -0.752 1.00 0.00 C ATOM 546 C LEU A 37 -5.052 13.703 -1.314 1.00 0.00 C ATOM 547 O LEU A 37 -5.969 13.385 -0.558 1.00 0.00 O ATOM 548 CB LEU A 37 -3.162 13.172 0.332 1.00 0.00 C ATOM 549 CG LEU A 37 -2.305 12.002 -0.156 1.00 0.00 C ATOM 550 CD1 LEU A 37 -2.305 11.922 -1.684 1.00 0.00 C ATOM 551 CD2 LEU A 37 -0.887 12.087 0.413 1.00 0.00 C ATOM 0 H LEU A 37 -3.739 15.556 0.767 1.00 0.00 H new ATOM 0 HA LEU A 37 -2.974 14.052 -1.572 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -2.574 13.757 1.039 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -4.013 12.769 0.881 1.00 0.00 H new ATOM 0 HG LEU A 37 -2.747 11.077 0.215 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -1.689 11.082 -2.004 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -3.325 11.780 -2.041 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.901 12.847 -2.097 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -0.299 11.244 0.051 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -0.421 13.019 0.092 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.930 12.059 1.502 1.00 0.00 H new ATOM 563 N ASP A 38 -5.142 13.724 -2.636 1.00 0.00 N ATOM 564 CA ASP A 38 -6.377 13.358 -3.308 1.00 0.00 C ATOM 565 C ASP A 38 -6.706 11.896 -2.999 1.00 0.00 C ATOM 566 O ASP A 38 -7.873 11.536 -2.851 1.00 0.00 O ATOM 567 CB ASP A 38 -6.242 13.502 -4.825 1.00 0.00 C ATOM 568 CG ASP A 38 -7.542 13.832 -5.561 1.00 0.00 C ATOM 569 OD1 ASP A 38 -8.237 14.763 -5.098 1.00 0.00 O ATOM 570 OD2 ASP A 38 -7.813 13.146 -6.571 1.00 0.00 O ATOM 0 H ASP A 38 -4.380 13.989 -3.260 1.00 0.00 H new ATOM 0 HA ASP A 38 -7.165 14.022 -2.952 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -5.513 14.284 -5.037 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -5.839 12.573 -5.229 1.00 0.00 H new ATOM 575 N GLY A 39 -5.656 11.092 -2.913 1.00 0.00 N ATOM 576 CA GLY A 39 -5.819 9.677 -2.625 1.00 0.00 C ATOM 577 C GLY A 39 -4.552 8.896 -2.980 1.00 0.00 C ATOM 578 O GLY A 39 -3.805 9.292 -3.873 1.00 0.00 O ATOM 0 H GLY A 39 -4.690 11.393 -3.038 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -6.050 9.541 -1.568 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -6.664 9.282 -3.189 1.00 0.00 H new ATOM 582 N TYR A 40 -4.350 7.801 -2.262 1.00 0.00 N ATOM 583 CA TYR A 40 -3.186 6.961 -2.490 1.00 0.00 C ATOM 584 C TYR A 40 -3.532 5.782 -3.401 1.00 0.00 C ATOM 585 O TYR A 40 -4.692 5.589 -3.759 1.00 0.00 O ATOM 586 CB TYR A 40 -2.777 6.426 -1.116 1.00 0.00 C ATOM 587 CG TYR A 40 -2.360 7.513 -0.124 1.00 0.00 C ATOM 588 CD1 TYR A 40 -3.317 8.164 0.629 1.00 0.00 C ATOM 589 CD2 TYR A 40 -1.028 7.844 0.019 1.00 0.00 C ATOM 590 CE1 TYR A 40 -2.925 9.187 1.563 1.00 0.00 C ATOM 591 CE2 TYR A 40 -0.636 8.867 0.953 1.00 0.00 C ATOM 592 CZ TYR A 40 -1.604 9.488 1.679 1.00 0.00 C ATOM 593 OH TYR A 40 -1.234 10.455 2.561 1.00 0.00 O ATOM 0 H TYR A 40 -4.972 7.476 -1.522 1.00 0.00 H new ATOM 0 HA TYR A 40 -2.390 7.529 -2.971 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -3.610 5.863 -0.694 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -1.951 5.726 -1.241 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -4.360 7.906 0.517 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -0.279 7.335 -0.570 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -3.663 9.704 2.158 1.00 0.00 H new ATOM 0 HE2 TYR A 40 0.403 9.135 1.074 1.00 0.00 H new ATOM 0 HH TYR A 40 -0.906 10.038 3.385 1.00 0.00 H new ATOM 603 N VAL A 41 -2.503 5.024 -3.750 1.00 0.00 N ATOM 604 CA VAL A 41 -2.683 3.868 -4.613 1.00 0.00 C ATOM 605 C VAL A 41 -1.854 2.701 -4.074 1.00 0.00 C ATOM 606 O VAL A 41 -0.631 2.693 -4.198 1.00 0.00 O ATOM 607 CB VAL A 41 -2.332 4.234 -6.057 1.00 0.00 C ATOM 608 CG1 VAL A 41 -2.321 2.991 -6.949 1.00 0.00 C ATOM 609 CG2 VAL A 41 -3.292 5.293 -6.603 1.00 0.00 C ATOM 0 H VAL A 41 -1.542 5.187 -3.451 1.00 0.00 H new ATOM 0 HA VAL A 41 -3.726 3.552 -4.616 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.328 4.659 -6.061 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -2.069 3.278 -7.970 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -1.580 2.283 -6.578 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -3.306 2.525 -6.936 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -3.020 5.535 -7.630 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -4.311 4.907 -6.578 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.229 6.192 -5.990 1.00 0.00 H new ATOM 619 N LEU A 42 -2.554 1.742 -3.485 1.00 0.00 N ATOM 620 CA LEU A 42 -1.899 0.572 -2.927 1.00 0.00 C ATOM 621 C LEU A 42 -1.652 -0.449 -4.039 1.00 0.00 C ATOM 622 O LEU A 42 -2.565 -0.786 -4.791 1.00 0.00 O ATOM 623 CB LEU A 42 -2.705 0.016 -1.751 1.00 0.00 C ATOM 624 CG LEU A 42 -2.036 -1.100 -0.947 1.00 0.00 C ATOM 625 CD1 LEU A 42 -2.008 -2.407 -1.741 1.00 0.00 C ATOM 626 CD2 LEU A 42 -0.639 -0.681 -0.484 1.00 0.00 C ATOM 0 H LEU A 42 -3.569 1.752 -3.382 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.925 0.841 -2.518 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.934 0.838 -1.073 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -3.655 -0.358 -2.132 1.00 0.00 H new ATOM 0 HG LEU A 42 -2.632 -1.280 -0.052 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -1.527 -3.184 -1.146 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -3.028 -2.711 -1.978 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -1.449 -2.259 -2.665 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -0.186 -1.493 0.085 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.020 -0.457 -1.353 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -0.715 0.205 0.146 1.00 0.00 H new ATOM 638 N GLU A 43 -0.412 -0.913 -4.109 1.00 0.00 N ATOM 639 CA GLU A 43 -0.034 -1.888 -5.117 1.00 0.00 C ATOM 640 C GLU A 43 0.729 -3.048 -4.473 1.00 0.00 C ATOM 641 O GLU A 43 1.758 -2.839 -3.833 1.00 0.00 O ATOM 642 CB GLU A 43 0.794 -1.236 -6.227 1.00 0.00 C ATOM 643 CG GLU A 43 -0.018 -1.116 -7.518 1.00 0.00 C ATOM 644 CD GLU A 43 -0.883 0.146 -7.506 1.00 0.00 C ATOM 645 OE1 GLU A 43 -1.237 0.581 -6.389 1.00 0.00 O ATOM 646 OE2 GLU A 43 -1.170 0.648 -8.615 1.00 0.00 O ATOM 0 H GLU A 43 0.343 -0.631 -3.484 1.00 0.00 H new ATOM 0 HA GLU A 43 -0.942 -2.284 -5.571 1.00 0.00 H new ATOM 0 HB2 GLU A 43 1.123 -0.247 -5.907 1.00 0.00 H new ATOM 0 HB3 GLU A 43 1.691 -1.827 -6.411 1.00 0.00 H new ATOM 0 HG2 GLU A 43 0.656 -1.091 -8.375 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -0.652 -1.995 -7.636 1.00 0.00 H new ATOM 653 N GLY A 44 0.195 -4.245 -4.666 1.00 0.00 N ATOM 654 CA GLY A 44 0.812 -5.438 -4.112 1.00 0.00 C ATOM 655 C GLY A 44 1.026 -6.497 -5.195 1.00 0.00 C ATOM 656 O GLY A 44 0.642 -6.299 -6.347 1.00 0.00 O ATOM 0 H GLY A 44 -0.658 -4.414 -5.198 1.00 0.00 H new ATOM 0 HA2 GLY A 44 1.768 -5.180 -3.657 1.00 0.00 H new ATOM 0 HA3 GLY A 44 0.182 -5.844 -3.321 1.00 0.00 H new ATOM 660 N ARG A 45 1.639 -7.599 -4.788 1.00 0.00 N ATOM 661 CA ARG A 45 1.909 -8.690 -5.709 1.00 0.00 C ATOM 662 C ARG A 45 2.672 -9.809 -4.997 1.00 0.00 C ATOM 663 O ARG A 45 3.473 -9.547 -4.101 1.00 0.00 O ATOM 664 CB ARG A 45 2.727 -8.208 -6.908 1.00 0.00 C ATOM 665 CG ARG A 45 4.115 -7.734 -6.471 1.00 0.00 C ATOM 666 CD ARG A 45 5.114 -7.822 -7.627 1.00 0.00 C ATOM 667 NE ARG A 45 6.476 -8.066 -7.101 1.00 0.00 N ATOM 668 CZ ARG A 45 7.598 -7.896 -7.814 1.00 0.00 C ATOM 669 NH1 ARG A 45 7.527 -7.480 -9.085 1.00 0.00 N ATOM 670 NH2 ARG A 45 8.790 -8.141 -7.254 1.00 0.00 N ATOM 0 H ARG A 45 1.957 -7.760 -3.832 1.00 0.00 H new ATOM 0 HA ARG A 45 0.951 -9.068 -6.065 1.00 0.00 H new ATOM 0 HB2 ARG A 45 2.826 -9.016 -7.633 1.00 0.00 H new ATOM 0 HB3 ARG A 45 2.202 -7.394 -7.408 1.00 0.00 H new ATOM 0 HG2 ARG A 45 4.056 -6.706 -6.114 1.00 0.00 H new ATOM 0 HG3 ARG A 45 4.465 -8.342 -5.636 1.00 0.00 H new ATOM 0 HD2 ARG A 45 4.828 -8.626 -8.306 1.00 0.00 H new ATOM 0 HD3 ARG A 45 5.098 -6.897 -8.204 1.00 0.00 H new ATOM 0 HE ARG A 45 6.566 -8.383 -6.136 1.00 0.00 H new ATOM 0 HH11 ARG A 45 6.619 -7.293 -9.510 1.00 0.00 H new ATOM 0 HH12 ARG A 45 8.381 -7.351 -9.628 1.00 0.00 H new ATOM 0 HH21 ARG A 45 8.843 -8.457 -6.286 1.00 0.00 H new ATOM 0 HH22 ARG A 45 9.644 -8.012 -7.796 1.00 0.00 H new ATOM 684 N GLN A 46 2.395 -11.033 -5.422 1.00 0.00 N ATOM 685 CA GLN A 46 3.045 -12.193 -4.836 1.00 0.00 C ATOM 686 C GLN A 46 3.935 -12.883 -5.873 1.00 0.00 C ATOM 687 O GLN A 46 3.688 -12.781 -7.073 1.00 0.00 O ATOM 688 CB GLN A 46 2.014 -13.168 -4.263 1.00 0.00 C ATOM 689 CG GLN A 46 1.237 -13.864 -5.382 1.00 0.00 C ATOM 690 CD GLN A 46 0.964 -15.328 -5.030 1.00 0.00 C ATOM 691 OE1 GLN A 46 1.866 -16.133 -4.864 1.00 0.00 O ATOM 692 NE2 GLN A 46 -0.328 -15.627 -4.927 1.00 0.00 N ATOM 0 H GLN A 46 1.730 -11.247 -6.165 1.00 0.00 H new ATOM 0 HA GLN A 46 3.674 -11.855 -4.013 1.00 0.00 H new ATOM 0 HB2 GLN A 46 2.516 -13.913 -3.646 1.00 0.00 H new ATOM 0 HB3 GLN A 46 1.322 -12.631 -3.614 1.00 0.00 H new ATOM 0 HG2 GLN A 46 0.294 -13.345 -5.552 1.00 0.00 H new ATOM 0 HG3 GLN A 46 1.803 -13.809 -6.312 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -1.032 -14.905 -5.079 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -0.614 -16.578 -4.696 1.00 0.00 H new ATOM 736 N GLY A 50 2.508 -9.768 -11.820 1.00 0.00 N ATOM 737 CA GLY A 50 2.485 -8.381 -12.254 1.00 0.00 C ATOM 738 C GLY A 50 1.938 -7.471 -11.153 1.00 0.00 C ATOM 739 O GLY A 50 0.990 -7.832 -10.457 1.00 0.00 O ATOM 0 HA2 GLY A 50 3.492 -8.064 -12.525 1.00 0.00 H new ATOM 0 HA3 GLY A 50 1.869 -8.286 -13.148 1.00 0.00 H new ATOM 743 N TRP A 51 2.559 -6.307 -11.029 1.00 0.00 N ATOM 744 CA TRP A 51 2.146 -5.342 -10.024 1.00 0.00 C ATOM 745 C TRP A 51 0.663 -5.038 -10.241 1.00 0.00 C ATOM 746 O TRP A 51 0.244 -4.739 -11.358 1.00 0.00 O ATOM 747 CB TRP A 51 3.026 -4.091 -10.071 1.00 0.00 C ATOM 748 CG TRP A 51 4.337 -4.223 -9.294 1.00 0.00 C ATOM 749 CD1 TRP A 51 5.580 -4.330 -9.785 1.00 0.00 C ATOM 750 CD2 TRP A 51 4.487 -4.258 -7.859 1.00 0.00 C ATOM 751 NE1 TRP A 51 6.515 -4.430 -8.775 1.00 0.00 N ATOM 752 CE2 TRP A 51 5.830 -4.385 -7.567 1.00 0.00 C ATOM 753 CE3 TRP A 51 3.520 -4.184 -6.841 1.00 0.00 C ATOM 754 CZ2 TRP A 51 6.327 -4.450 -6.260 1.00 0.00 C ATOM 755 CZ3 TRP A 51 4.033 -4.250 -5.541 1.00 0.00 C ATOM 756 CH2 TRP A 51 5.382 -4.379 -5.230 1.00 0.00 C ATOM 0 H TRP A 51 3.345 -6.010 -11.608 1.00 0.00 H new ATOM 0 HA TRP A 51 2.274 -5.751 -9.022 1.00 0.00 H new ATOM 0 HB2 TRP A 51 3.254 -3.859 -11.111 1.00 0.00 H new ATOM 0 HB3 TRP A 51 2.462 -3.248 -9.672 1.00 0.00 H new ATOM 0 HD1 TRP A 51 5.819 -4.337 -10.838 1.00 0.00 H new ATOM 0 HE1 TRP A 51 7.524 -4.520 -8.894 1.00 0.00 H new ATOM 0 HE3 TRP A 51 2.464 -4.084 -7.046 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 7.383 -4.550 -6.057 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 3.332 -4.197 -4.721 1.00 0.00 H new ATOM 0 HH2 TRP A 51 5.699 -4.424 -4.199 1.00 0.00 H new ATOM 767 N GLU A 52 -0.092 -5.125 -9.155 1.00 0.00 N ATOM 768 CA GLU A 52 -1.520 -4.863 -9.213 1.00 0.00 C ATOM 769 C GLU A 52 -1.931 -3.913 -8.087 1.00 0.00 C ATOM 770 O GLU A 52 -1.484 -4.062 -6.950 1.00 0.00 O ATOM 771 CB GLU A 52 -2.319 -6.166 -9.152 1.00 0.00 C ATOM 772 CG GLU A 52 -2.496 -6.633 -7.705 1.00 0.00 C ATOM 773 CD GLU A 52 -2.842 -8.122 -7.649 1.00 0.00 C ATOM 774 OE1 GLU A 52 -3.990 -8.452 -8.019 1.00 0.00 O ATOM 775 OE2 GLU A 52 -1.952 -8.897 -7.236 1.00 0.00 O ATOM 0 H GLU A 52 0.259 -5.373 -8.230 1.00 0.00 H new ATOM 0 HA GLU A 52 -1.744 -4.383 -10.166 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -3.296 -6.020 -9.613 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -1.808 -6.938 -9.727 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -1.580 -6.447 -7.144 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -3.286 -6.054 -7.226 1.00 0.00 H new ATOM 782 N VAL A 53 -2.779 -2.958 -8.441 1.00 0.00 N ATOM 783 CA VAL A 53 -3.256 -1.984 -7.473 1.00 0.00 C ATOM 784 C VAL A 53 -4.366 -2.612 -6.629 1.00 0.00 C ATOM 785 O VAL A 53 -5.440 -2.923 -7.141 1.00 0.00 O ATOM 786 CB VAL A 53 -3.700 -0.708 -8.191 1.00 0.00 C ATOM 787 CG1 VAL A 53 -3.207 -0.694 -9.640 1.00 0.00 C ATOM 788 CG2 VAL A 53 -5.220 -0.544 -8.128 1.00 0.00 C ATOM 0 H VAL A 53 -3.148 -2.838 -9.384 1.00 0.00 H new ATOM 0 HA VAL A 53 -2.454 -1.696 -6.793 1.00 0.00 H new ATOM 0 HB VAL A 53 -3.250 0.140 -7.675 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -3.536 0.224 -10.128 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -2.118 -0.742 -9.654 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -3.615 -1.554 -10.171 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -5.509 0.371 -8.646 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -5.698 -1.399 -8.607 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -5.537 -0.487 -7.087 1.00 0.00 H new ATOM 798 N LEU A 54 -4.068 -2.781 -5.349 1.00 0.00 N ATOM 799 CA LEU A 54 -5.028 -3.367 -4.428 1.00 0.00 C ATOM 800 C LEU A 54 -6.092 -2.325 -4.076 1.00 0.00 C ATOM 801 O LEU A 54 -7.185 -2.674 -3.633 1.00 0.00 O ATOM 802 CB LEU A 54 -4.312 -3.952 -3.209 1.00 0.00 C ATOM 803 CG LEU A 54 -3.005 -4.694 -3.490 1.00 0.00 C ATOM 804 CD1 LEU A 54 -2.391 -5.233 -2.197 1.00 0.00 C ATOM 805 CD2 LEU A 54 -3.214 -5.798 -4.529 1.00 0.00 C ATOM 0 H LEU A 54 -3.176 -2.523 -4.928 1.00 0.00 H new ATOM 0 HA LEU A 54 -5.545 -4.204 -4.897 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -4.103 -3.141 -2.512 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -4.994 -4.637 -2.706 1.00 0.00 H new ATOM 0 HG LEU A 54 -2.294 -3.984 -3.912 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -1.463 -5.756 -2.426 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -2.183 -4.404 -1.520 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -3.089 -5.923 -1.723 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -2.269 -6.310 -4.711 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -3.949 -6.513 -4.158 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -3.573 -5.359 -5.460 1.00 0.00 H new ATOM 817 N ASP A 55 -5.734 -1.067 -4.287 1.00 0.00 N ATOM 818 CA ASP A 55 -6.644 0.028 -3.997 1.00 0.00 C ATOM 819 C ASP A 55 -6.124 1.307 -4.657 1.00 0.00 C ATOM 820 O ASP A 55 -5.160 1.906 -4.184 1.00 0.00 O ATOM 821 CB ASP A 55 -6.742 0.280 -2.491 1.00 0.00 C ATOM 822 CG ASP A 55 -8.055 0.911 -2.025 1.00 0.00 C ATOM 823 OD1 ASP A 55 -8.860 1.268 -2.912 1.00 0.00 O ATOM 824 OD2 ASP A 55 -8.224 1.023 -0.791 1.00 0.00 O ATOM 0 H ASP A 55 -4.827 -0.782 -4.655 1.00 0.00 H new ATOM 0 HA ASP A 55 -7.627 -0.241 -4.382 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -6.607 -0.668 -1.970 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -5.919 0.929 -2.192 1.00 0.00 H new ATOM 829 N PRO A 56 -6.803 1.697 -5.769 1.00 0.00 N ATOM 830 CA PRO A 56 -6.419 2.893 -6.499 1.00 0.00 C ATOM 831 C PRO A 56 -6.852 4.155 -5.750 1.00 0.00 C ATOM 832 O PRO A 56 -6.088 5.114 -5.649 1.00 0.00 O ATOM 833 CB PRO A 56 -7.082 2.753 -7.860 1.00 0.00 C ATOM 834 CG PRO A 56 -8.183 1.721 -7.683 1.00 0.00 C ATOM 835 CD PRO A 56 -7.949 1.012 -6.359 1.00 0.00 C ATOM 0 HA PRO A 56 -5.339 2.992 -6.605 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -7.491 3.706 -8.195 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -6.363 2.432 -8.614 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -9.161 2.201 -7.691 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -8.172 1.006 -8.506 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -8.825 1.079 -5.714 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -7.743 -0.048 -6.508 1.00 0.00 H new ATOM 843 N ALA A 57 -8.076 4.114 -5.245 1.00 0.00 N ATOM 844 CA ALA A 57 -8.620 5.242 -4.508 1.00 0.00 C ATOM 845 C ALA A 57 -8.568 4.940 -3.010 1.00 0.00 C ATOM 846 O ALA A 57 -9.327 4.109 -2.514 1.00 0.00 O ATOM 847 CB ALA A 57 -10.040 5.533 -4.996 1.00 0.00 C ATOM 0 H ALA A 57 -8.707 3.317 -5.332 1.00 0.00 H new ATOM 0 HA ALA A 57 -8.025 6.138 -4.684 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -10.448 6.379 -4.443 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -10.018 5.771 -6.059 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -10.667 4.657 -4.833 1.00 0.00 H new ATOM 853 N VAL A 58 -7.664 5.630 -2.330 1.00 0.00 N ATOM 854 CA VAL A 58 -7.503 5.446 -0.898 1.00 0.00 C ATOM 855 C VAL A 58 -7.598 6.804 -0.199 1.00 0.00 C ATOM 856 O VAL A 58 -6.894 7.744 -0.564 1.00 0.00 O ATOM 857 CB VAL A 58 -6.190 4.716 -0.608 1.00 0.00 C ATOM 858 CG1 VAL A 58 -5.831 4.801 0.876 1.00 0.00 C ATOM 859 CG2 VAL A 58 -6.258 3.260 -1.073 1.00 0.00 C ATOM 0 H VAL A 58 -7.035 6.318 -2.745 1.00 0.00 H new ATOM 0 HA VAL A 58 -8.302 4.820 -0.502 1.00 0.00 H new ATOM 0 HB VAL A 58 -5.400 5.212 -1.172 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -4.894 4.274 1.054 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -5.720 5.846 1.164 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -6.623 4.343 1.469 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -5.312 2.764 -0.855 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -7.065 2.748 -0.549 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -6.445 3.229 -2.146 1.00 0.00 H new ATOM 869 N ALA A 59 -8.475 6.863 0.792 1.00 0.00 N ATOM 870 CA ALA A 59 -8.672 8.091 1.545 1.00 0.00 C ATOM 871 C ALA A 59 -7.322 8.782 1.747 1.00 0.00 C ATOM 872 O ALA A 59 -6.385 8.181 2.272 1.00 0.00 O ATOM 873 CB ALA A 59 -9.367 7.771 2.870 1.00 0.00 C ATOM 0 H ALA A 59 -9.057 6.081 1.091 1.00 0.00 H new ATOM 0 HA ALA A 59 -9.316 8.779 0.997 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -9.515 8.691 3.435 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -10.334 7.308 2.671 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -8.748 7.085 3.449 1.00 0.00 H new ATOM 879 N GLY A 60 -7.264 10.034 1.319 1.00 0.00 N ATOM 880 CA GLY A 60 -6.045 10.814 1.446 1.00 0.00 C ATOM 881 C GLY A 60 -5.743 11.124 2.914 1.00 0.00 C ATOM 882 O GLY A 60 -4.696 11.687 3.231 1.00 0.00 O ATOM 0 H GLY A 60 -8.043 10.528 0.883 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -5.211 10.266 1.007 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -6.144 11.744 0.887 1.00 0.00 H new ATOM 886 N THR A 61 -6.679 10.743 3.771 1.00 0.00 N ATOM 887 CA THR A 61 -6.527 10.974 5.197 1.00 0.00 C ATOM 888 C THR A 61 -6.183 9.667 5.915 1.00 0.00 C ATOM 889 O THR A 61 -5.841 9.675 7.096 1.00 0.00 O ATOM 890 CB THR A 61 -7.810 11.629 5.710 1.00 0.00 C ATOM 891 OG1 THR A 61 -8.843 10.733 5.307 1.00 0.00 O ATOM 892 CG2 THR A 61 -8.138 12.930 4.974 1.00 0.00 C ATOM 0 H THR A 61 -7.546 10.276 3.505 1.00 0.00 H new ATOM 0 HA THR A 61 -5.696 11.650 5.402 1.00 0.00 H new ATOM 0 HB THR A 61 -7.713 11.830 6.777 1.00 0.00 H new ATOM 0 HG1 THR A 61 -9.711 11.081 5.601 1.00 0.00 H new ATOM 0 HG21 THR A 61 -9.058 13.354 5.377 1.00 0.00 H new ATOM 0 HG22 THR A 61 -7.322 13.640 5.109 1.00 0.00 H new ATOM 0 HG23 THR A 61 -8.268 12.724 3.912 1.00 0.00 H new ATOM 900 N GLU A 62 -6.285 8.576 5.170 1.00 0.00 N ATOM 901 CA GLU A 62 -5.989 7.264 5.721 1.00 0.00 C ATOM 902 C GLU A 62 -4.477 7.074 5.857 1.00 0.00 C ATOM 903 O GLU A 62 -3.701 7.725 5.160 1.00 0.00 O ATOM 904 CB GLU A 62 -6.606 6.157 4.863 1.00 0.00 C ATOM 905 CG GLU A 62 -7.944 5.695 5.443 1.00 0.00 C ATOM 906 CD GLU A 62 -7.732 4.697 6.583 1.00 0.00 C ATOM 907 OE1 GLU A 62 -7.179 5.127 7.618 1.00 0.00 O ATOM 908 OE2 GLU A 62 -8.128 3.527 6.394 1.00 0.00 O ATOM 0 H GLU A 62 -6.568 8.573 4.190 1.00 0.00 H new ATOM 0 HA GLU A 62 -6.434 7.200 6.714 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -6.752 6.520 3.846 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -5.920 5.312 4.805 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -8.503 6.557 5.808 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -8.545 5.234 4.659 1.00 0.00 H new ATOM 915 N THR A 63 -4.104 6.179 6.760 1.00 0.00 N ATOM 916 CA THR A 63 -2.699 5.895 6.996 1.00 0.00 C ATOM 917 C THR A 63 -2.461 4.385 7.048 1.00 0.00 C ATOM 918 O THR A 63 -1.351 3.937 7.330 1.00 0.00 O ATOM 919 CB THR A 63 -2.279 6.620 8.276 1.00 0.00 C ATOM 920 OG1 THR A 63 -3.469 6.661 9.059 1.00 0.00 O ATOM 921 CG2 THR A 63 -1.944 8.093 8.032 1.00 0.00 C ATOM 0 H THR A 63 -4.751 5.641 7.337 1.00 0.00 H new ATOM 0 HA THR A 63 -2.079 6.262 6.178 1.00 0.00 H new ATOM 0 HB THR A 63 -1.414 6.118 8.710 1.00 0.00 H new ATOM 0 HG1 THR A 63 -3.853 5.761 9.117 1.00 0.00 H new ATOM 0 HG21 THR A 63 -1.652 8.560 8.972 1.00 0.00 H new ATOM 0 HG22 THR A 63 -1.122 8.166 7.320 1.00 0.00 H new ATOM 0 HG23 THR A 63 -2.819 8.603 7.629 1.00 0.00 H new ATOM 929 N GLU A 64 -3.522 3.641 6.771 1.00 0.00 N ATOM 930 CA GLU A 64 -3.443 2.190 6.782 1.00 0.00 C ATOM 931 C GLU A 64 -4.472 1.595 5.819 1.00 0.00 C ATOM 932 O GLU A 64 -5.367 2.296 5.350 1.00 0.00 O ATOM 933 CB GLU A 64 -3.635 1.642 8.198 1.00 0.00 C ATOM 934 CG GLU A 64 -2.579 2.204 9.151 1.00 0.00 C ATOM 935 CD GLU A 64 -2.985 3.587 9.666 1.00 0.00 C ATOM 936 OE1 GLU A 64 -4.139 3.980 9.386 1.00 0.00 O ATOM 937 OE2 GLU A 64 -2.134 4.219 10.326 1.00 0.00 O ATOM 0 H GLU A 64 -4.441 4.016 6.538 1.00 0.00 H new ATOM 0 HA GLU A 64 -2.449 1.897 6.446 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -4.630 1.900 8.560 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -3.573 0.554 8.182 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -2.444 1.524 9.992 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -1.620 2.270 8.638 1.00 0.00 H new ATOM 944 N LEU A 65 -4.311 0.307 5.554 1.00 0.00 N ATOM 945 CA LEU A 65 -5.215 -0.391 4.655 1.00 0.00 C ATOM 946 C LEU A 65 -5.072 -1.900 4.865 1.00 0.00 C ATOM 947 O LEU A 65 -4.014 -2.375 5.275 1.00 0.00 O ATOM 948 CB LEU A 65 -4.982 0.054 3.210 1.00 0.00 C ATOM 949 CG LEU A 65 -5.686 -0.773 2.132 1.00 0.00 C ATOM 950 CD1 LEU A 65 -7.134 -0.314 1.947 1.00 0.00 C ATOM 951 CD2 LEU A 65 -4.903 -0.743 0.818 1.00 0.00 C ATOM 0 H LEU A 65 -3.568 -0.272 5.946 1.00 0.00 H new ATOM 0 HA LEU A 65 -6.250 -0.134 4.880 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -5.305 1.091 3.113 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -3.910 0.034 3.013 1.00 0.00 H new ATOM 0 HG LEU A 65 -5.717 -1.811 2.464 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -7.611 -0.918 1.175 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -7.675 -0.431 2.886 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -7.148 0.734 1.648 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -5.426 -1.339 0.069 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -4.818 0.286 0.468 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -3.907 -1.155 0.979 1.00 0.00 H new ATOM 963 N LEU A 66 -6.152 -2.610 4.574 1.00 0.00 N ATOM 964 CA LEU A 66 -6.160 -4.055 4.726 1.00 0.00 C ATOM 965 C LEU A 66 -6.203 -4.709 3.343 1.00 0.00 C ATOM 966 O LEU A 66 -6.849 -4.197 2.430 1.00 0.00 O ATOM 967 CB LEU A 66 -7.300 -4.491 5.648 1.00 0.00 C ATOM 968 CG LEU A 66 -7.217 -5.919 6.189 1.00 0.00 C ATOM 969 CD1 LEU A 66 -6.442 -5.961 7.508 1.00 0.00 C ATOM 970 CD2 LEU A 66 -8.610 -6.538 6.323 1.00 0.00 C ATOM 0 H LEU A 66 -7.027 -2.212 4.234 1.00 0.00 H new ATOM 0 HA LEU A 66 -5.243 -4.392 5.210 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -7.339 -3.805 6.494 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -8.240 -4.383 5.107 1.00 0.00 H new ATOM 0 HG LEU A 66 -6.664 -6.524 5.470 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -6.398 -6.988 7.871 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -5.430 -5.589 7.348 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -6.946 -5.336 8.246 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -8.521 -7.553 6.710 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -9.210 -5.940 7.009 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -9.093 -6.563 5.346 1.00 0.00 H new ATOM 982 N VAL A 67 -5.506 -5.830 3.232 1.00 0.00 N ATOM 983 CA VAL A 67 -5.457 -6.559 1.975 1.00 0.00 C ATOM 984 C VAL A 67 -5.598 -8.057 2.254 1.00 0.00 C ATOM 985 O VAL A 67 -4.601 -8.767 2.371 1.00 0.00 O ATOM 986 CB VAL A 67 -4.174 -6.210 1.218 1.00 0.00 C ATOM 987 CG1 VAL A 67 -4.104 -6.957 -0.115 1.00 0.00 C ATOM 988 CG2 VAL A 67 -4.055 -4.699 1.007 1.00 0.00 C ATOM 0 H VAL A 67 -4.971 -6.252 3.991 1.00 0.00 H new ATOM 0 HA VAL A 67 -6.287 -6.268 1.332 1.00 0.00 H new ATOM 0 HB VAL A 67 -3.328 -6.530 1.827 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -3.183 -6.691 -0.633 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -4.120 -8.031 0.069 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -4.959 -6.682 -0.732 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -3.134 -4.478 0.467 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -4.909 -4.344 0.430 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -4.037 -4.197 1.974 1.00 0.00 H new ATOM 998 N PRO A 68 -6.879 -8.504 2.354 1.00 0.00 N ATOM 999 CA PRO A 68 -7.163 -9.905 2.616 1.00 0.00 C ATOM 1000 C PRO A 68 -6.927 -10.756 1.367 1.00 0.00 C ATOM 1001 O PRO A 68 -6.682 -11.957 1.467 1.00 0.00 O ATOM 1002 CB PRO A 68 -8.608 -9.930 3.088 1.00 0.00 C ATOM 1003 CG PRO A 68 -9.219 -8.616 2.631 1.00 0.00 C ATOM 1004 CD PRO A 68 -8.084 -7.692 2.220 1.00 0.00 C ATOM 0 HA PRO A 68 -6.503 -10.335 3.370 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -9.143 -10.779 2.662 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -8.663 -10.030 4.172 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -9.898 -8.781 1.795 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -9.805 -8.168 3.434 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -8.212 -7.339 1.197 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -8.040 -6.810 2.859 1.00 0.00 H new ATOM 1012 N GLY A 69 -7.009 -10.099 0.219 1.00 0.00 N ATOM 1013 CA GLY A 69 -6.807 -10.781 -1.049 1.00 0.00 C ATOM 1014 C GLY A 69 -5.635 -11.760 -0.964 1.00 0.00 C ATOM 1015 O GLY A 69 -5.670 -12.830 -1.570 1.00 0.00 O ATOM 0 H GLY A 69 -7.212 -9.103 0.140 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -7.714 -11.318 -1.326 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -6.618 -10.049 -1.834 1.00 0.00 H new ATOM 1019 N LEU A 70 -4.624 -11.359 -0.207 1.00 0.00 N ATOM 1020 CA LEU A 70 -3.443 -12.188 -0.035 1.00 0.00 C ATOM 1021 C LEU A 70 -3.866 -13.654 0.079 1.00 0.00 C ATOM 1022 O LEU A 70 -5.016 -13.948 0.404 1.00 0.00 O ATOM 1023 CB LEU A 70 -2.609 -11.694 1.149 1.00 0.00 C ATOM 1024 CG LEU A 70 -1.704 -10.491 0.876 1.00 0.00 C ATOM 1025 CD1 LEU A 70 -2.459 -9.396 0.121 1.00 0.00 C ATOM 1026 CD2 LEU A 70 -1.082 -9.969 2.172 1.00 0.00 C ATOM 0 H LEU A 70 -4.598 -10.471 0.294 1.00 0.00 H new ATOM 0 HA LEU A 70 -2.793 -12.111 -0.907 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -3.287 -11.436 1.963 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -1.988 -12.518 1.500 1.00 0.00 H new ATOM 0 HG LEU A 70 -0.886 -10.818 0.234 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -1.792 -8.553 -0.060 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -2.814 -9.789 -0.832 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -3.310 -9.064 0.716 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -0.443 -9.114 1.950 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -1.872 -9.663 2.858 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -0.486 -10.757 2.633 1.00 0.00 H new ATOM 1038 N ILE A 71 -2.915 -14.534 -0.193 1.00 0.00 N ATOM 1039 CA ILE A 71 -3.175 -15.962 -0.125 1.00 0.00 C ATOM 1040 C ILE A 71 -2.561 -16.527 1.158 1.00 0.00 C ATOM 1041 O ILE A 71 -2.852 -16.048 2.253 1.00 0.00 O ATOM 1042 CB ILE A 71 -2.687 -16.658 -1.397 1.00 0.00 C ATOM 1043 CG1 ILE A 71 -3.058 -15.848 -2.641 1.00 0.00 C ATOM 1044 CG2 ILE A 71 -3.208 -18.094 -1.472 1.00 0.00 C ATOM 1045 CD1 ILE A 71 -4.475 -16.185 -3.112 1.00 0.00 C ATOM 0 H ILE A 71 -1.963 -14.286 -0.461 1.00 0.00 H new ATOM 0 HA ILE A 71 -4.247 -16.151 -0.077 1.00 0.00 H new ATOM 0 HB ILE A 71 -1.599 -16.713 -1.360 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -2.988 -14.783 -2.420 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -2.346 -16.055 -3.440 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -2.846 -18.565 -2.386 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -2.852 -18.656 -0.608 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -4.298 -18.086 -1.475 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -4.714 -15.596 -3.997 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -4.535 -17.246 -3.355 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -5.187 -15.954 -2.319 1.00 0.00 H new ATOM 1057 N LYS A 72 -1.722 -17.537 0.980 1.00 0.00 N ATOM 1058 CA LYS A 72 -1.065 -18.172 2.110 1.00 0.00 C ATOM 1059 C LYS A 72 0.411 -18.396 1.775 1.00 0.00 C ATOM 1060 O LYS A 72 1.245 -17.524 2.013 1.00 0.00 O ATOM 1061 CB LYS A 72 -1.805 -19.449 2.512 1.00 0.00 C ATOM 1062 CG LYS A 72 -2.689 -19.954 1.370 1.00 0.00 C ATOM 1063 CD LYS A 72 -3.529 -21.152 1.815 1.00 0.00 C ATOM 1064 CE LYS A 72 -2.698 -22.437 1.808 1.00 0.00 C ATOM 1065 NZ LYS A 72 -2.960 -23.217 0.578 1.00 0.00 N ATOM 0 H LYS A 72 -1.482 -17.931 0.070 1.00 0.00 H new ATOM 0 HA LYS A 72 -1.099 -17.523 2.985 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -1.085 -20.220 2.787 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -2.418 -19.256 3.393 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -3.344 -19.152 1.031 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -2.066 -20.237 0.521 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -3.921 -20.974 2.816 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -4.387 -21.266 1.152 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -1.638 -22.192 1.871 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -2.939 -23.038 2.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -2.388 -24.086 0.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -3.969 -23.467 0.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -2.708 -22.647 -0.255 1.00 0.00 H new ATOM 1079 N ASP A 73 0.689 -19.571 1.229 1.00 0.00 N ATOM 1080 CA ASP A 73 2.050 -19.922 0.859 1.00 0.00 C ATOM 1081 C ASP A 73 2.514 -19.013 -0.281 1.00 0.00 C ATOM 1082 O ASP A 73 2.769 -19.482 -1.389 1.00 0.00 O ATOM 1083 CB ASP A 73 2.133 -21.370 0.373 1.00 0.00 C ATOM 1084 CG ASP A 73 0.982 -21.816 -0.531 1.00 0.00 C ATOM 1085 OD1 ASP A 73 1.126 -21.643 -1.760 1.00 0.00 O ATOM 1086 OD2 ASP A 73 -0.016 -22.320 0.029 1.00 0.00 O ATOM 0 H ASP A 73 -0.005 -20.292 1.034 1.00 0.00 H new ATOM 0 HA ASP A 73 2.681 -19.801 1.740 1.00 0.00 H new ATOM 0 HB2 ASP A 73 3.071 -21.503 -0.166 1.00 0.00 H new ATOM 0 HB3 ASP A 73 2.168 -22.027 1.242 1.00 0.00 H new ATOM 1091 N VAL A 74 2.610 -17.729 0.030 1.00 0.00 N ATOM 1092 CA VAL A 74 3.039 -16.750 -0.955 1.00 0.00 C ATOM 1093 C VAL A 74 3.577 -15.512 -0.236 1.00 0.00 C ATOM 1094 O VAL A 74 3.344 -15.333 0.959 1.00 0.00 O ATOM 1095 CB VAL A 74 1.888 -16.433 -1.913 1.00 0.00 C ATOM 1096 CG1 VAL A 74 1.369 -17.704 -2.586 1.00 0.00 C ATOM 1097 CG2 VAL A 74 0.760 -15.695 -1.189 1.00 0.00 C ATOM 0 H VAL A 74 2.398 -17.343 0.950 1.00 0.00 H new ATOM 0 HA VAL A 74 3.850 -17.150 -1.564 1.00 0.00 H new ATOM 0 HB VAL A 74 2.272 -15.775 -2.693 1.00 0.00 H new ATOM 0 HG11 VAL A 74 0.552 -17.450 -3.261 1.00 0.00 H new ATOM 0 HG12 VAL A 74 2.175 -18.172 -3.151 1.00 0.00 H new ATOM 0 HG13 VAL A 74 1.010 -18.397 -1.826 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -0.045 -15.482 -1.892 1.00 0.00 H new ATOM 0 HG22 VAL A 74 0.379 -16.317 -0.379 1.00 0.00 H new ATOM 0 HG23 VAL A 74 1.141 -14.760 -0.779 1.00 0.00 H new ATOM 1107 N LEU A 75 4.287 -14.688 -0.993 1.00 0.00 N ATOM 1108 CA LEU A 75 4.860 -13.472 -0.444 1.00 0.00 C ATOM 1109 C LEU A 75 4.322 -12.265 -1.216 1.00 0.00 C ATOM 1110 O LEU A 75 4.887 -11.875 -2.236 1.00 0.00 O ATOM 1111 CB LEU A 75 6.387 -13.560 -0.426 1.00 0.00 C ATOM 1112 CG LEU A 75 7.096 -12.715 0.636 1.00 0.00 C ATOM 1113 CD1 LEU A 75 6.316 -11.431 0.924 1.00 0.00 C ATOM 1114 CD2 LEU A 75 7.348 -13.530 1.906 1.00 0.00 C ATOM 0 H LEU A 75 4.478 -14.840 -1.983 1.00 0.00 H new ATOM 0 HA LEU A 75 4.559 -13.345 0.596 1.00 0.00 H new ATOM 0 HB2 LEU A 75 6.669 -14.603 -0.280 1.00 0.00 H new ATOM 0 HB3 LEU A 75 6.760 -13.263 -1.406 1.00 0.00 H new ATOM 0 HG LEU A 75 8.070 -12.420 0.245 1.00 0.00 H new ATOM 0 HD11 LEU A 75 6.841 -10.849 1.682 1.00 0.00 H new ATOM 0 HD12 LEU A 75 6.231 -10.844 0.010 1.00 0.00 H new ATOM 0 HD13 LEU A 75 5.320 -11.684 1.286 1.00 0.00 H new ATOM 0 HD21 LEU A 75 7.853 -12.907 2.644 1.00 0.00 H new ATOM 0 HD22 LEU A 75 6.397 -13.875 2.312 1.00 0.00 H new ATOM 0 HD23 LEU A 75 7.974 -14.390 1.668 1.00 0.00 H new ATOM 1126 N TYR A 76 3.237 -11.708 -0.699 1.00 0.00 N ATOM 1127 CA TYR A 76 2.617 -10.554 -1.327 1.00 0.00 C ATOM 1128 C TYR A 76 3.303 -9.258 -0.891 1.00 0.00 C ATOM 1129 O TYR A 76 3.512 -9.032 0.300 1.00 0.00 O ATOM 1130 CB TYR A 76 1.167 -10.538 -0.840 1.00 0.00 C ATOM 1131 CG TYR A 76 0.169 -11.134 -1.836 1.00 0.00 C ATOM 1132 CD1 TYR A 76 -0.087 -12.490 -1.828 1.00 0.00 C ATOM 1133 CD2 TYR A 76 -0.474 -10.315 -2.742 1.00 0.00 C ATOM 1134 CE1 TYR A 76 -1.025 -13.051 -2.765 1.00 0.00 C ATOM 1135 CE2 TYR A 76 -1.412 -10.876 -3.679 1.00 0.00 C ATOM 1136 CZ TYR A 76 -1.642 -12.216 -3.645 1.00 0.00 C ATOM 1137 OH TYR A 76 -2.528 -12.746 -4.530 1.00 0.00 O ATOM 0 H TYR A 76 2.771 -12.034 0.148 1.00 0.00 H new ATOM 0 HA TYR A 76 2.693 -10.620 -2.412 1.00 0.00 H new ATOM 0 HB2 TYR A 76 1.103 -11.091 0.097 1.00 0.00 H new ATOM 0 HB3 TYR A 76 0.878 -9.509 -0.624 1.00 0.00 H new ATOM 0 HD1 TYR A 76 0.416 -13.130 -1.119 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -0.274 -9.254 -2.748 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -1.234 -14.111 -2.770 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -1.922 -10.247 -4.393 1.00 0.00 H new ATOM 0 HH TYR A 76 -2.892 -12.033 -5.095 1.00 0.00 H new ATOM 1147 N GLU A 77 3.635 -8.440 -1.879 1.00 0.00 N ATOM 1148 CA GLU A 77 4.293 -7.173 -1.613 1.00 0.00 C ATOM 1149 C GLU A 77 3.258 -6.051 -1.496 1.00 0.00 C ATOM 1150 O GLU A 77 2.056 -6.301 -1.569 1.00 0.00 O ATOM 1151 CB GLU A 77 5.327 -6.854 -2.695 1.00 0.00 C ATOM 1152 CG GLU A 77 6.669 -7.521 -2.384 1.00 0.00 C ATOM 1153 CD GLU A 77 7.413 -7.881 -3.672 1.00 0.00 C ATOM 1154 OE1 GLU A 77 7.486 -6.996 -4.551 1.00 0.00 O ATOM 1155 OE2 GLU A 77 7.893 -9.033 -3.747 1.00 0.00 O ATOM 0 H GLU A 77 3.460 -8.631 -2.866 1.00 0.00 H new ATOM 0 HA GLU A 77 4.822 -7.253 -0.663 1.00 0.00 H new ATOM 0 HB2 GLU A 77 4.963 -7.196 -3.664 1.00 0.00 H new ATOM 0 HB3 GLU A 77 5.461 -5.775 -2.768 1.00 0.00 H new ATOM 0 HG2 GLU A 77 7.281 -6.851 -1.781 1.00 0.00 H new ATOM 0 HG3 GLU A 77 6.503 -8.421 -1.792 1.00 0.00 H new ATOM 1162 N PHE A 78 3.763 -4.840 -1.318 1.00 0.00 N ATOM 1163 CA PHE A 78 2.898 -3.679 -1.190 1.00 0.00 C ATOM 1164 C PHE A 78 3.665 -2.388 -1.484 1.00 0.00 C ATOM 1165 O PHE A 78 4.860 -2.296 -1.209 1.00 0.00 O ATOM 1166 CB PHE A 78 2.404 -3.647 0.257 1.00 0.00 C ATOM 1167 CG PHE A 78 1.458 -4.794 0.618 1.00 0.00 C ATOM 1168 CD1 PHE A 78 0.187 -4.805 0.135 1.00 0.00 C ATOM 1169 CD2 PHE A 78 1.888 -5.803 1.422 1.00 0.00 C ATOM 1170 CE1 PHE A 78 -0.691 -5.870 0.470 1.00 0.00 C ATOM 1171 CE2 PHE A 78 1.010 -6.868 1.756 1.00 0.00 C ATOM 1172 CZ PHE A 78 -0.261 -6.879 1.273 1.00 0.00 C ATOM 0 H PHE A 78 4.761 -4.637 -1.259 1.00 0.00 H new ATOM 0 HA PHE A 78 2.074 -3.749 -1.900 1.00 0.00 H new ATOM 0 HB2 PHE A 78 3.265 -3.676 0.925 1.00 0.00 H new ATOM 0 HB3 PHE A 78 1.895 -2.700 0.435 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -0.155 -4.004 -0.503 1.00 0.00 H new ATOM 0 HD2 PHE A 78 2.897 -5.794 1.806 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -1.701 -5.878 0.087 1.00 0.00 H new ATOM 0 HE2 PHE A 78 1.352 -7.670 2.394 1.00 0.00 H new ATOM 0 HZ PHE A 78 -0.929 -7.689 1.527 1.00 0.00 H new ATOM 1182 N ARG A 79 2.946 -1.424 -2.038 1.00 0.00 N ATOM 1183 CA ARG A 79 3.544 -0.142 -2.372 1.00 0.00 C ATOM 1184 C ARG A 79 2.460 0.928 -2.515 1.00 0.00 C ATOM 1185 O ARG A 79 1.520 0.765 -3.293 1.00 0.00 O ATOM 1186 CB ARG A 79 4.340 -0.229 -3.676 1.00 0.00 C ATOM 1187 CG ARG A 79 3.406 -0.286 -4.886 1.00 0.00 C ATOM 1188 CD ARG A 79 4.153 -0.767 -6.132 1.00 0.00 C ATOM 1189 NE ARG A 79 3.634 -0.074 -7.332 1.00 0.00 N ATOM 1190 CZ ARG A 79 4.085 -0.285 -8.576 1.00 0.00 C ATOM 1191 NH1 ARG A 79 5.067 -1.171 -8.791 1.00 0.00 N ATOM 1192 NH2 ARG A 79 3.555 0.390 -9.605 1.00 0.00 N ATOM 0 H ARG A 79 1.955 -1.504 -2.264 1.00 0.00 H new ATOM 0 HA ARG A 79 4.222 0.129 -1.563 1.00 0.00 H new ATOM 0 HB2 ARG A 79 5.000 0.634 -3.762 1.00 0.00 H new ATOM 0 HB3 ARG A 79 4.975 -1.115 -3.660 1.00 0.00 H new ATOM 0 HG2 ARG A 79 2.573 -0.956 -4.676 1.00 0.00 H new ATOM 0 HG3 ARG A 79 2.982 0.701 -5.070 1.00 0.00 H new ATOM 0 HD2 ARG A 79 5.220 -0.574 -6.023 1.00 0.00 H new ATOM 0 HD3 ARG A 79 4.034 -1.845 -6.244 1.00 0.00 H new ATOM 0 HE ARG A 79 2.886 0.607 -7.204 1.00 0.00 H new ATOM 0 HH11 ARG A 79 5.471 -1.685 -8.008 1.00 0.00 H new ATOM 0 HH12 ARG A 79 5.410 -1.332 -9.738 1.00 0.00 H new ATOM 0 HH21 ARG A 79 2.808 1.065 -9.442 1.00 0.00 H new ATOM 0 HH22 ARG A 79 3.899 0.229 -10.552 1.00 0.00 H new ATOM 1206 N LEU A 80 2.626 1.999 -1.753 1.00 0.00 N ATOM 1207 CA LEU A 80 1.673 3.096 -1.786 1.00 0.00 C ATOM 1208 C LEU A 80 2.238 4.231 -2.641 1.00 0.00 C ATOM 1209 O LEU A 80 3.437 4.503 -2.606 1.00 0.00 O ATOM 1210 CB LEU A 80 1.301 3.523 -0.365 1.00 0.00 C ATOM 1211 CG LEU A 80 -0.193 3.707 -0.090 1.00 0.00 C ATOM 1212 CD1 LEU A 80 -0.994 2.501 -0.585 1.00 0.00 C ATOM 1213 CD2 LEU A 80 -0.447 3.994 1.392 1.00 0.00 C ATOM 0 H LEU A 80 3.406 2.131 -1.109 1.00 0.00 H new ATOM 0 HA LEU A 80 0.741 2.778 -2.254 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.689 2.779 0.330 1.00 0.00 H new ATOM 0 HB3 LEU A 80 1.809 4.462 -0.144 1.00 0.00 H new ATOM 0 HG LEU A 80 -0.539 4.576 -0.650 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.053 2.657 -0.377 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.848 2.383 -1.659 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -0.653 1.602 -0.072 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -1.517 4.121 1.560 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -0.082 3.160 1.992 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.076 4.906 1.681 1.00 0.00 H new ATOM 1225 N VAL A 81 1.347 4.864 -3.391 1.00 0.00 N ATOM 1226 CA VAL A 81 1.742 5.964 -4.254 1.00 0.00 C ATOM 1227 C VAL A 81 0.787 7.141 -4.043 1.00 0.00 C ATOM 1228 O VAL A 81 -0.344 7.121 -4.526 1.00 0.00 O ATOM 1229 CB VAL A 81 1.798 5.493 -5.709 1.00 0.00 C ATOM 1230 CG1 VAL A 81 1.997 6.675 -6.660 1.00 0.00 C ATOM 1231 CG2 VAL A 81 2.892 4.442 -5.903 1.00 0.00 C ATOM 0 H VAL A 81 0.353 4.636 -3.419 1.00 0.00 H new ATOM 0 HA VAL A 81 2.744 6.309 -3.999 1.00 0.00 H new ATOM 0 HB VAL A 81 0.842 5.028 -5.948 1.00 0.00 H new ATOM 0 HG11 VAL A 81 2.033 6.313 -7.688 1.00 0.00 H new ATOM 0 HG12 VAL A 81 1.168 7.374 -6.550 1.00 0.00 H new ATOM 0 HG13 VAL A 81 2.932 7.181 -6.420 1.00 0.00 H new ATOM 0 HG21 VAL A 81 2.910 4.124 -6.945 1.00 0.00 H new ATOM 0 HG22 VAL A 81 3.859 4.870 -5.637 1.00 0.00 H new ATOM 0 HG23 VAL A 81 2.688 3.582 -5.265 1.00 0.00 H new ATOM 1241 N ALA A 82 1.277 8.137 -3.320 1.00 0.00 N ATOM 1242 CA ALA A 82 0.482 9.320 -3.039 1.00 0.00 C ATOM 1243 C ALA A 82 0.410 10.191 -4.294 1.00 0.00 C ATOM 1244 O ALA A 82 1.439 10.545 -4.868 1.00 0.00 O ATOM 1245 CB ALA A 82 1.080 10.065 -1.844 1.00 0.00 C ATOM 0 H ALA A 82 2.215 8.149 -2.920 1.00 0.00 H new ATOM 0 HA ALA A 82 -0.538 9.043 -2.772 1.00 0.00 H new ATOM 0 HB1 ALA A 82 0.484 10.953 -1.633 1.00 0.00 H new ATOM 0 HB2 ALA A 82 1.080 9.412 -0.971 1.00 0.00 H new ATOM 0 HB3 ALA A 82 2.103 10.362 -2.075 1.00 0.00 H new ATOM 1251 N PHE A 83 -0.815 10.512 -4.684 1.00 0.00 N ATOM 1252 CA PHE A 83 -1.034 11.335 -5.861 1.00 0.00 C ATOM 1253 C PHE A 83 -2.030 12.459 -5.566 1.00 0.00 C ATOM 1254 O PHE A 83 -3.063 12.229 -4.939 1.00 0.00 O ATOM 1255 CB PHE A 83 -1.617 10.424 -6.942 1.00 0.00 C ATOM 1256 CG PHE A 83 -3.071 10.016 -6.695 1.00 0.00 C ATOM 1257 CD1 PHE A 83 -4.069 10.928 -6.847 1.00 0.00 C ATOM 1258 CD2 PHE A 83 -3.367 8.742 -6.323 1.00 0.00 C ATOM 1259 CE1 PHE A 83 -5.418 10.550 -6.618 1.00 0.00 C ATOM 1260 CE2 PHE A 83 -4.716 8.364 -6.093 1.00 0.00 C ATOM 1261 CZ PHE A 83 -5.713 9.276 -6.245 1.00 0.00 C ATOM 0 H PHE A 83 -1.666 10.217 -4.206 1.00 0.00 H new ATOM 0 HA PHE A 83 -0.095 11.791 -6.176 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -1.551 10.931 -7.904 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -1.005 9.525 -7.013 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -3.835 11.940 -7.142 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -2.575 8.017 -6.202 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -6.210 11.274 -6.740 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -4.950 7.352 -5.797 1.00 0.00 H new ATOM 0 HZ PHE A 83 -6.739 8.989 -6.069 1.00 0.00 H new ATOM 1271 N ALA A 84 -1.684 13.650 -6.033 1.00 0.00 N ATOM 1272 CA ALA A 84 -2.535 14.810 -5.827 1.00 0.00 C ATOM 1273 C ALA A 84 -2.873 15.435 -7.182 1.00 0.00 C ATOM 1274 O ALA A 84 -2.150 15.240 -8.157 1.00 0.00 O ATOM 1275 CB ALA A 84 -1.837 15.795 -4.888 1.00 0.00 C ATOM 0 H ALA A 84 -0.827 13.837 -6.553 1.00 0.00 H new ATOM 0 HA ALA A 84 -3.473 14.519 -5.355 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -2.475 16.665 -4.734 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -1.645 15.311 -3.930 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -0.892 16.112 -5.330 1.00 0.00 H new ATOM 1281 N GLY A 85 -3.973 16.174 -7.198 1.00 0.00 N ATOM 1282 CA GLY A 85 -4.416 16.829 -8.417 1.00 0.00 C ATOM 1283 C GLY A 85 -4.051 16.000 -9.649 1.00 0.00 C ATOM 1284 O GLY A 85 -4.771 15.072 -10.013 1.00 0.00 O ATOM 0 H GLY A 85 -4.570 16.333 -6.387 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -5.495 16.979 -8.382 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -3.959 17.816 -8.490 1.00 0.00 H new ATOM 1288 N SER A 86 -2.931 16.364 -10.258 1.00 0.00 N ATOM 1289 CA SER A 86 -2.462 15.665 -11.442 1.00 0.00 C ATOM 1290 C SER A 86 -1.015 15.210 -11.241 1.00 0.00 C ATOM 1291 O SER A 86 -0.292 14.982 -12.210 1.00 0.00 O ATOM 1292 CB SER A 86 -2.571 16.551 -12.684 1.00 0.00 C ATOM 1293 OG SER A 86 -3.096 15.840 -13.802 1.00 0.00 O ATOM 0 H SER A 86 -2.335 17.134 -9.953 1.00 0.00 H new ATOM 0 HA SER A 86 -3.094 14.790 -11.596 1.00 0.00 H new ATOM 0 HB2 SER A 86 -3.211 17.406 -12.465 1.00 0.00 H new ATOM 0 HB3 SER A 86 -1.587 16.946 -12.935 1.00 0.00 H new ATOM 0 HG SER A 86 -3.152 16.440 -14.575 1.00 0.00 H new ATOM 1299 N PHE A 87 -0.636 15.091 -9.977 1.00 0.00 N ATOM 1300 CA PHE A 87 0.712 14.666 -9.637 1.00 0.00 C ATOM 1301 C PHE A 87 0.705 13.270 -9.012 1.00 0.00 C ATOM 1302 O PHE A 87 -0.144 12.963 -8.177 1.00 0.00 O ATOM 1303 CB PHE A 87 1.251 15.668 -8.613 1.00 0.00 C ATOM 1304 CG PHE A 87 1.024 17.132 -8.995 1.00 0.00 C ATOM 1305 CD1 PHE A 87 -0.213 17.684 -8.867 1.00 0.00 C ATOM 1306 CD2 PHE A 87 2.058 17.881 -9.464 1.00 0.00 C ATOM 1307 CE1 PHE A 87 -0.423 19.043 -9.222 1.00 0.00 C ATOM 1308 CE2 PHE A 87 1.847 19.239 -9.818 1.00 0.00 C ATOM 1309 CZ PHE A 87 0.611 19.792 -9.690 1.00 0.00 C ATOM 0 H PHE A 87 -1.238 15.281 -9.176 1.00 0.00 H new ATOM 0 HA PHE A 87 1.329 14.630 -10.535 1.00 0.00 H new ATOM 0 HB2 PHE A 87 0.778 15.477 -7.650 1.00 0.00 H new ATOM 0 HB3 PHE A 87 2.320 15.499 -8.482 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -1.034 17.089 -8.496 1.00 0.00 H new ATOM 0 HD2 PHE A 87 3.039 17.442 -9.567 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -1.405 19.482 -9.120 1.00 0.00 H new ATOM 0 HE2 PHE A 87 2.668 19.834 -10.189 1.00 0.00 H new ATOM 0 HZ PHE A 87 0.451 20.825 -9.960 1.00 0.00 H new ATOM 1319 N VAL A 88 1.663 12.460 -9.441 1.00 0.00 N ATOM 1320 CA VAL A 88 1.778 11.103 -8.934 1.00 0.00 C ATOM 1321 C VAL A 88 3.135 10.934 -8.247 1.00 0.00 C ATOM 1322 O VAL A 88 4.178 11.044 -8.890 1.00 0.00 O ATOM 1323 CB VAL A 88 1.552 10.100 -10.067 1.00 0.00 C ATOM 1324 CG1 VAL A 88 2.265 8.778 -9.778 1.00 0.00 C ATOM 1325 CG2 VAL A 88 0.059 9.877 -10.312 1.00 0.00 C ATOM 0 H VAL A 88 2.366 12.718 -10.134 1.00 0.00 H new ATOM 0 HA VAL A 88 1.009 10.907 -8.187 1.00 0.00 H new ATOM 0 HB VAL A 88 1.981 10.519 -10.977 1.00 0.00 H new ATOM 0 HG11 VAL A 88 2.089 8.082 -10.598 1.00 0.00 H new ATOM 0 HG12 VAL A 88 3.336 8.956 -9.677 1.00 0.00 H new ATOM 0 HG13 VAL A 88 1.880 8.352 -8.852 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -0.074 9.160 -11.122 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -0.405 9.489 -9.405 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -0.410 10.822 -10.584 1.00 0.00 H new ATOM 1335 N SER A 89 3.076 10.670 -6.950 1.00 0.00 N ATOM 1336 CA SER A 89 4.288 10.484 -6.169 1.00 0.00 C ATOM 1337 C SER A 89 4.835 9.071 -6.380 1.00 0.00 C ATOM 1338 O SER A 89 4.125 8.193 -6.867 1.00 0.00 O ATOM 1339 CB SER A 89 4.029 10.737 -4.683 1.00 0.00 C ATOM 1340 OG SER A 89 3.473 9.595 -4.036 1.00 0.00 O ATOM 0 H SER A 89 2.209 10.580 -6.420 1.00 0.00 H new ATOM 0 HA SER A 89 5.029 11.207 -6.509 1.00 0.00 H new ATOM 0 HB2 SER A 89 4.963 11.012 -4.194 1.00 0.00 H new ATOM 0 HB3 SER A 89 3.350 11.583 -4.572 1.00 0.00 H new ATOM 0 HG SER A 89 2.658 9.318 -4.505 1.00 0.00 H new ATOM 1346 N ASP A 90 6.093 8.895 -6.002 1.00 0.00 N ATOM 1347 CA ASP A 90 6.743 7.604 -6.144 1.00 0.00 C ATOM 1348 C ASP A 90 6.142 6.622 -5.136 1.00 0.00 C ATOM 1349 O ASP A 90 5.595 7.033 -4.114 1.00 0.00 O ATOM 1350 CB ASP A 90 8.243 7.709 -5.864 1.00 0.00 C ATOM 1351 CG ASP A 90 9.096 8.133 -7.062 1.00 0.00 C ATOM 1352 OD1 ASP A 90 8.575 8.033 -8.193 1.00 0.00 O ATOM 1353 OD2 ASP A 90 10.250 8.547 -6.818 1.00 0.00 O ATOM 0 H ASP A 90 6.679 9.625 -5.598 1.00 0.00 H new ATOM 0 HA ASP A 90 6.590 7.260 -7.167 1.00 0.00 H new ATOM 0 HB2 ASP A 90 8.397 8.424 -5.056 1.00 0.00 H new ATOM 0 HB3 ASP A 90 8.599 6.743 -5.507 1.00 0.00 H new ATOM 1358 N PRO A 91 6.268 5.309 -5.468 1.00 0.00 N ATOM 1359 CA PRO A 91 5.744 4.265 -4.604 1.00 0.00 C ATOM 1360 C PRO A 91 6.632 4.075 -3.373 1.00 0.00 C ATOM 1361 O PRO A 91 7.716 3.501 -3.468 1.00 0.00 O ATOM 1362 CB PRO A 91 5.672 3.026 -5.482 1.00 0.00 C ATOM 1363 CG PRO A 91 6.588 3.300 -6.664 1.00 0.00 C ATOM 1364 CD PRO A 91 6.910 4.785 -6.670 1.00 0.00 C ATOM 0 HA PRO A 91 4.761 4.508 -4.200 1.00 0.00 H new ATOM 0 HB2 PRO A 91 5.995 2.140 -4.935 1.00 0.00 H new ATOM 0 HB3 PRO A 91 4.650 2.841 -5.814 1.00 0.00 H new ATOM 0 HG2 PRO A 91 7.502 2.712 -6.583 1.00 0.00 H new ATOM 0 HG3 PRO A 91 6.104 3.011 -7.597 1.00 0.00 H new ATOM 0 HD2 PRO A 91 7.986 4.957 -6.651 1.00 0.00 H new ATOM 0 HD3 PRO A 91 6.526 5.270 -7.567 1.00 0.00 H new ATOM 1372 N SER A 92 6.140 4.567 -2.245 1.00 0.00 N ATOM 1373 CA SER A 92 6.876 4.458 -0.997 1.00 0.00 C ATOM 1374 C SER A 92 7.528 3.078 -0.893 1.00 0.00 C ATOM 1375 O SER A 92 7.156 2.155 -1.617 1.00 0.00 O ATOM 1376 CB SER A 92 5.962 4.706 0.204 1.00 0.00 C ATOM 1377 OG SER A 92 4.801 3.879 0.172 1.00 0.00 O ATOM 0 H SER A 92 5.241 5.042 -2.170 1.00 0.00 H new ATOM 0 HA SER A 92 7.654 5.221 -0.990 1.00 0.00 H new ATOM 0 HB2 SER A 92 6.515 4.519 1.125 1.00 0.00 H new ATOM 0 HB3 SER A 92 5.661 5.753 0.220 1.00 0.00 H new ATOM 0 HG SER A 92 5.058 2.948 0.341 1.00 0.00 H new ATOM 1383 N ASN A 93 8.488 2.979 0.015 1.00 0.00 N ATOM 1384 CA ASN A 93 9.195 1.727 0.223 1.00 0.00 C ATOM 1385 C ASN A 93 8.218 0.561 0.057 1.00 0.00 C ATOM 1386 O ASN A 93 7.024 0.706 0.311 1.00 0.00 O ATOM 1387 CB ASN A 93 9.782 1.655 1.634 1.00 0.00 C ATOM 1388 CG ASN A 93 8.764 2.123 2.676 1.00 0.00 C ATOM 1389 OD1 ASN A 93 8.146 3.167 2.553 1.00 0.00 O ATOM 1390 ND2 ASN A 93 8.625 1.293 3.707 1.00 0.00 N ATOM 0 H ASN A 93 8.793 3.746 0.615 1.00 0.00 H new ATOM 0 HA ASN A 93 10.002 1.670 -0.507 1.00 0.00 H new ATOM 0 HB2 ASN A 93 10.088 0.632 1.853 1.00 0.00 H new ATOM 0 HB3 ASN A 93 10.677 2.274 1.691 1.00 0.00 H new ATOM 0 HD21 ASN A 93 7.970 1.516 4.456 1.00 0.00 H new ATOM 0 HD22 ASN A 93 9.174 0.434 3.748 1.00 0.00 H new ATOM 1397 N THR A 94 8.763 -0.569 -0.369 1.00 0.00 N ATOM 1398 CA THR A 94 7.955 -1.759 -0.572 1.00 0.00 C ATOM 1399 C THR A 94 7.883 -2.582 0.716 1.00 0.00 C ATOM 1400 O THR A 94 8.894 -2.778 1.388 1.00 0.00 O ATOM 1401 CB THR A 94 8.541 -2.533 -1.755 1.00 0.00 C ATOM 1402 OG1 THR A 94 9.008 -1.516 -2.638 1.00 0.00 O ATOM 1403 CG2 THR A 94 7.470 -3.266 -2.564 1.00 0.00 C ATOM 0 H THR A 94 9.754 -0.685 -0.579 1.00 0.00 H new ATOM 0 HA THR A 94 6.924 -1.500 -0.813 1.00 0.00 H new ATOM 0 HB THR A 94 9.275 -3.252 -1.390 1.00 0.00 H new ATOM 0 HG1 THR A 94 9.405 -1.930 -3.432 1.00 0.00 H new ATOM 0 HG21 THR A 94 7.940 -3.799 -3.391 1.00 0.00 H new ATOM 0 HG22 THR A 94 6.952 -3.978 -1.921 1.00 0.00 H new ATOM 0 HG23 THR A 94 6.754 -2.545 -2.957 1.00 0.00 H new ATOM 1411 N ALA A 95 6.678 -3.040 1.021 1.00 0.00 N ATOM 1412 CA ALA A 95 6.461 -3.837 2.216 1.00 0.00 C ATOM 1413 C ALA A 95 5.712 -5.117 1.842 1.00 0.00 C ATOM 1414 O ALA A 95 4.946 -5.134 0.880 1.00 0.00 O ATOM 1415 CB ALA A 95 5.708 -3.004 3.256 1.00 0.00 C ATOM 0 H ALA A 95 5.842 -2.874 0.461 1.00 0.00 H new ATOM 0 HA ALA A 95 7.413 -4.130 2.659 1.00 0.00 H new ATOM 0 HB1 ALA A 95 5.545 -3.602 4.153 1.00 0.00 H new ATOM 0 HB2 ALA A 95 6.295 -2.122 3.510 1.00 0.00 H new ATOM 0 HB3 ALA A 95 4.746 -2.694 2.847 1.00 0.00 H new ATOM 1421 N ASN A 96 5.960 -6.159 2.622 1.00 0.00 N ATOM 1422 CA ASN A 96 5.319 -7.441 2.384 1.00 0.00 C ATOM 1423 C ASN A 96 5.180 -8.191 3.710 1.00 0.00 C ATOM 1424 O ASN A 96 5.776 -7.801 4.713 1.00 0.00 O ATOM 1425 CB ASN A 96 6.152 -8.307 1.437 1.00 0.00 C ATOM 1426 CG ASN A 96 7.502 -8.661 2.062 1.00 0.00 C ATOM 1427 OD1 ASN A 96 7.625 -8.872 3.258 1.00 0.00 O ATOM 1428 ND2 ASN A 96 8.505 -8.715 1.190 1.00 0.00 N ATOM 0 H ASN A 96 6.596 -6.142 3.419 1.00 0.00 H new ATOM 0 HA ASN A 96 4.344 -7.251 1.935 1.00 0.00 H new ATOM 0 HB2 ASN A 96 5.607 -9.220 1.199 1.00 0.00 H new ATOM 0 HB3 ASN A 96 6.310 -7.777 0.498 1.00 0.00 H new ATOM 0 HD21 ASN A 96 9.446 -8.944 1.509 1.00 0.00 H new ATOM 0 HD22 ASN A 96 8.333 -8.527 0.202 1.00 0.00 H new ATOM 1435 N VAL A 97 4.390 -9.254 3.673 1.00 0.00 N ATOM 1436 CA VAL A 97 4.165 -10.062 4.859 1.00 0.00 C ATOM 1437 C VAL A 97 4.449 -11.530 4.533 1.00 0.00 C ATOM 1438 O VAL A 97 4.422 -11.927 3.369 1.00 0.00 O ATOM 1439 CB VAL A 97 2.749 -9.831 5.390 1.00 0.00 C ATOM 1440 CG1 VAL A 97 2.267 -8.415 5.066 1.00 0.00 C ATOM 1441 CG2 VAL A 97 1.780 -10.879 4.841 1.00 0.00 C ATOM 0 H VAL A 97 3.897 -9.575 2.839 1.00 0.00 H new ATOM 0 HA VAL A 97 4.848 -9.768 5.656 1.00 0.00 H new ATOM 0 HB VAL A 97 2.776 -9.936 6.475 1.00 0.00 H new ATOM 0 HG11 VAL A 97 1.258 -8.276 5.454 1.00 0.00 H new ATOM 0 HG12 VAL A 97 2.936 -7.688 5.527 1.00 0.00 H new ATOM 0 HG13 VAL A 97 2.263 -8.270 3.986 1.00 0.00 H new ATOM 0 HG21 VAL A 97 0.781 -10.692 5.234 1.00 0.00 H new ATOM 0 HG22 VAL A 97 1.759 -10.820 3.753 1.00 0.00 H new ATOM 0 HG23 VAL A 97 2.109 -11.873 5.144 1.00 0.00 H new ATOM 1451 N SER A 98 4.714 -12.296 5.581 1.00 0.00 N ATOM 1452 CA SER A 98 5.002 -13.711 5.421 1.00 0.00 C ATOM 1453 C SER A 98 3.886 -14.547 6.050 1.00 0.00 C ATOM 1454 O SER A 98 3.476 -14.290 7.181 1.00 0.00 O ATOM 1455 CB SER A 98 6.352 -14.072 6.044 1.00 0.00 C ATOM 1456 OG SER A 98 6.660 -15.454 5.886 1.00 0.00 O ATOM 0 H SER A 98 4.735 -11.963 6.545 1.00 0.00 H new ATOM 0 HA SER A 98 5.054 -13.931 4.355 1.00 0.00 H new ATOM 0 HB2 SER A 98 7.136 -13.471 5.584 1.00 0.00 H new ATOM 0 HB3 SER A 98 6.340 -13.822 7.105 1.00 0.00 H new ATOM 0 HG SER A 98 7.530 -15.644 6.295 1.00 0.00 H new