USER MOD reduce.3.24.130724 H: found=0, std=0, add=699, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 699 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 66 HIS : no HE2:sc= -11.4! C(o=-19!,f=-26!) USER MOD Set 1.2: A 81 LYS NZ :NH3+ -177:sc= -7.48! (180deg=-7.02!) USER MOD Set 1.3: A 88 MET CE :methyl -160:sc= -0.574 (180deg=-0.964) USER MOD Set 2.1: A 24 SER OG : rot -1:sc= -0.526! USER MOD Set 2.2: A 54 THR OG1 : rot -158:sc= 0.124 USER MOD Single : A 7 LYS NZ :NH3+ 147:sc= -4.62! (180deg=-6.84!) USER MOD Single : A 12 LYS NZ :NH3+ 162:sc= 0.516 (180deg=0.255) USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.107 USER MOD Single : A 15 THR OG1 : rot -43:sc= 0.658 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -0.392 K(o=-0.39,f=-1!) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc=-0.00929 X(o=-0.0093,f=-0.13) USER MOD Single : A 27 ASN : amide:sc= 0.208 K(o=0.21,f=-0.51) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot -68:sc= 0.239 USER MOD Single : A 46 ASN : amide:sc= -15.7! C(o=-16!,f=-7.7!) USER MOD Single : A 49 ASN : amide:sc= -0.202 K(o=-0.2,f=-1) USER MOD Single : A 51 THR OG1 : rot 100:sc= 0 USER MOD Single : A 57 HIS : no HD1:sc= -4.78! C(o=-4.8!,f=-4.6!) USER MOD Single : A 60 GLN : amide:sc= -4! C(o=-4!,f=-3!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 TYR OH : rot 30:sc= 0 USER MOD Single : A 67 MET CE :methyl -164:sc= -7.29! (180deg=-8.51!) USER MOD Single : A 71 SER OG : rot 180:sc= 0.0115 USER MOD Single : A 72 SER OG : rot 8:sc= 0.803! USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 MET CE :methyl 179:sc= -4.55 (180deg=-4.56) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 MET CE :methyl 139:sc= -20.2! (180deg=-27.8!) USER MOD Single : A 92 SER OG : rot 100:sc= -6.02! USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= -11.8! C(o=-12!,f=-10!) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 77 N LEU A 5 11.523 -2.918 -2.982 1.00 0.00 N ATOM 78 CA LEU A 5 12.294 -3.572 -4.020 1.00 0.00 C ATOM 79 C LEU A 5 13.598 -2.821 -4.246 1.00 0.00 C ATOM 80 O LEU A 5 13.660 -1.608 -4.057 1.00 0.00 O ATOM 81 CB LEU A 5 11.472 -3.630 -5.304 1.00 0.00 C ATOM 82 CG LEU A 5 10.903 -5.034 -5.481 1.00 0.00 C ATOM 83 CD1 LEU A 5 12.031 -6.057 -5.374 1.00 0.00 C ATOM 84 CD2 LEU A 5 9.865 -5.303 -4.396 1.00 0.00 C ATOM 0 HA LEU A 5 12.534 -4.590 -3.713 1.00 0.00 H new ATOM 0 HB2 LEU A 5 10.663 -2.901 -5.264 1.00 0.00 H new ATOM 0 HB3 LEU A 5 12.095 -3.368 -6.159 1.00 0.00 H new ATOM 0 HG LEU A 5 10.432 -5.115 -6.461 1.00 0.00 H new ATOM 0 HD11 LEU A 5 11.625 -7.061 -5.500 1.00 0.00 H new ATOM 0 HD12 LEU A 5 12.772 -5.865 -6.150 1.00 0.00 H new ATOM 0 HD13 LEU A 5 12.503 -5.977 -4.395 1.00 0.00 H new ATOM 0 HD21 LEU A 5 9.458 -6.306 -4.522 1.00 0.00 H new ATOM 0 HD22 LEU A 5 10.334 -5.223 -3.416 1.00 0.00 H new ATOM 0 HD23 LEU A 5 9.060 -4.573 -4.474 1.00 0.00 H new ATOM 96 N CYS A 6 14.642 -3.546 -4.655 1.00 0.00 N ATOM 97 CA CYS A 6 15.938 -2.948 -4.905 1.00 0.00 C ATOM 98 C CYS A 6 16.647 -3.704 -6.021 1.00 0.00 C ATOM 99 O CYS A 6 16.476 -4.913 -6.159 1.00 0.00 O ATOM 100 CB CYS A 6 16.766 -2.972 -3.624 1.00 0.00 C ATOM 101 SG CYS A 6 15.824 -2.572 -2.131 1.00 0.00 S ATOM 0 H CYS A 6 14.606 -4.552 -4.818 1.00 0.00 H new ATOM 0 HA CYS A 6 15.810 -1.912 -5.218 1.00 0.00 H new ATOM 0 HB2 CYS A 6 17.208 -3.961 -3.508 1.00 0.00 H new ATOM 0 HB3 CYS A 6 17.589 -2.264 -3.722 1.00 0.00 H new ATOM 106 N LYS A 7 17.444 -2.988 -6.817 1.00 0.00 N ATOM 107 CA LYS A 7 18.172 -3.594 -7.912 1.00 0.00 C ATOM 108 C LYS A 7 19.303 -4.457 -7.369 1.00 0.00 C ATOM 109 O LYS A 7 20.177 -3.965 -6.660 1.00 0.00 O ATOM 110 CB LYS A 7 18.719 -2.501 -8.826 1.00 0.00 C ATOM 111 CG LYS A 7 17.560 -1.806 -9.536 1.00 0.00 C ATOM 112 CD LYS A 7 17.401 -2.383 -10.939 1.00 0.00 C ATOM 113 CE LYS A 7 17.778 -1.323 -11.970 1.00 0.00 C ATOM 114 NZ LYS A 7 16.980 -0.101 -11.786 1.00 0.00 N ATOM 0 H LYS A 7 17.596 -1.984 -6.716 1.00 0.00 H new ATOM 0 HA LYS A 7 17.501 -4.231 -8.488 1.00 0.00 H new ATOM 0 HB2 LYS A 7 19.290 -1.777 -8.244 1.00 0.00 H new ATOM 0 HB3 LYS A 7 19.402 -2.932 -9.558 1.00 0.00 H new ATOM 0 HG2 LYS A 7 16.639 -1.942 -8.969 1.00 0.00 H new ATOM 0 HG3 LYS A 7 17.745 -0.733 -9.592 1.00 0.00 H new ATOM 0 HD2 LYS A 7 18.035 -3.262 -11.056 1.00 0.00 H new ATOM 0 HD3 LYS A 7 16.373 -2.709 -11.096 1.00 0.00 H new ATOM 0 HE2 LYS A 7 18.838 -1.086 -11.882 1.00 0.00 H new ATOM 0 HE3 LYS A 7 17.622 -1.716 -12.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 17.551 0.729 -12.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 16.136 -0.143 -12.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 16.688 -0.024 -10.791 1.00 0.00 H new ATOM 128 N PHE A 8 19.283 -5.749 -7.705 1.00 0.00 N ATOM 129 CA PHE A 8 20.303 -6.671 -7.250 1.00 0.00 C ATOM 130 C PHE A 8 21.180 -7.090 -8.422 1.00 0.00 C ATOM 131 O PHE A 8 21.040 -8.195 -8.942 1.00 0.00 O ATOM 132 CB PHE A 8 19.640 -7.887 -6.610 1.00 0.00 C ATOM 133 CG PHE A 8 20.529 -8.611 -5.626 1.00 0.00 C ATOM 134 CD1 PHE A 8 21.487 -9.521 -6.088 1.00 0.00 C ATOM 135 CD2 PHE A 8 20.396 -8.369 -4.254 1.00 0.00 C ATOM 136 CE1 PHE A 8 22.312 -10.191 -5.177 1.00 0.00 C ATOM 137 CE2 PHE A 8 21.221 -9.039 -3.343 1.00 0.00 C ATOM 138 CZ PHE A 8 22.180 -9.950 -3.805 1.00 0.00 C ATOM 0 H PHE A 8 18.565 -6.173 -8.293 1.00 0.00 H new ATOM 0 HA PHE A 8 20.933 -6.183 -6.506 1.00 0.00 H new ATOM 0 HB2 PHE A 8 18.731 -7.569 -6.100 1.00 0.00 H new ATOM 0 HB3 PHE A 8 19.339 -8.581 -7.394 1.00 0.00 H new ATOM 0 HD1 PHE A 8 21.590 -9.706 -7.147 1.00 0.00 H new ATOM 0 HD2 PHE A 8 19.657 -7.666 -3.898 1.00 0.00 H new ATOM 0 HE1 PHE A 8 23.050 -10.894 -5.533 1.00 0.00 H new ATOM 0 HE2 PHE A 8 21.118 -8.854 -2.284 1.00 0.00 H new ATOM 0 HZ PHE A 8 22.817 -10.466 -3.102 1.00 0.00 H new ATOM 148 N CYS A 9 22.088 -6.202 -8.837 1.00 0.00 N ATOM 149 CA CYS A 9 22.982 -6.482 -9.942 1.00 0.00 C ATOM 150 C CYS A 9 24.418 -6.527 -9.443 1.00 0.00 C ATOM 151 O CYS A 9 24.824 -5.696 -8.634 1.00 0.00 O ATOM 152 CB CYS A 9 22.815 -5.408 -11.015 1.00 0.00 C ATOM 153 SG CYS A 9 21.560 -5.800 -12.259 1.00 0.00 S ATOM 0 H CYS A 9 22.216 -5.282 -8.416 1.00 0.00 H new ATOM 0 HA CYS A 9 22.738 -7.452 -10.376 1.00 0.00 H new ATOM 0 HB2 CYS A 9 22.553 -4.466 -10.534 1.00 0.00 H new ATOM 0 HB3 CYS A 9 23.772 -5.256 -11.514 1.00 0.00 H new ATOM 158 N ASP A 10 25.189 -7.504 -9.928 1.00 0.00 N ATOM 159 CA ASP A 10 26.575 -7.654 -9.529 1.00 0.00 C ATOM 160 C ASP A 10 27.406 -6.523 -10.118 1.00 0.00 C ATOM 161 O ASP A 10 26.926 -5.777 -10.969 1.00 0.00 O ATOM 162 CB ASP A 10 27.094 -9.009 -9.997 1.00 0.00 C ATOM 163 CG ASP A 10 26.168 -9.615 -11.041 1.00 0.00 C ATOM 164 OD1 ASP A 10 25.034 -9.972 -10.656 1.00 0.00 O ATOM 165 OD2 ASP A 10 26.611 -9.711 -12.206 1.00 0.00 O ATOM 0 H ASP A 10 24.867 -8.201 -10.600 1.00 0.00 H new ATOM 0 HA ASP A 10 26.653 -7.607 -8.443 1.00 0.00 H new ATOM 0 HB2 ASP A 10 28.094 -8.895 -10.415 1.00 0.00 H new ATOM 0 HB3 ASP A 10 27.179 -9.684 -9.145 1.00 0.00 H new ATOM 170 N VAL A 11 28.655 -6.399 -9.665 1.00 0.00 N ATOM 171 CA VAL A 11 29.545 -5.362 -10.149 1.00 0.00 C ATOM 172 C VAL A 11 30.057 -5.729 -11.534 1.00 0.00 C ATOM 173 O VAL A 11 30.795 -6.700 -11.689 1.00 0.00 O ATOM 174 CB VAL A 11 30.704 -5.191 -9.172 1.00 0.00 C ATOM 175 CG1 VAL A 11 30.742 -6.378 -8.214 1.00 0.00 C ATOM 176 CG2 VAL A 11 32.016 -5.120 -9.947 1.00 0.00 C ATOM 0 H VAL A 11 29.067 -7.011 -8.960 1.00 0.00 H new ATOM 0 HA VAL A 11 29.006 -4.418 -10.221 1.00 0.00 H new ATOM 0 HB VAL A 11 30.567 -4.271 -8.604 1.00 0.00 H new ATOM 0 HG11 VAL A 11 31.570 -6.256 -7.516 1.00 0.00 H new ATOM 0 HG12 VAL A 11 29.805 -6.428 -7.660 1.00 0.00 H new ATOM 0 HG13 VAL A 11 30.878 -7.299 -8.781 1.00 0.00 H new ATOM 0 HG21 VAL A 11 32.845 -4.998 -9.249 1.00 0.00 H new ATOM 0 HG22 VAL A 11 32.153 -6.040 -10.516 1.00 0.00 H new ATOM 0 HG23 VAL A 11 31.989 -4.272 -10.631 1.00 0.00 H new ATOM 186 N LYS A 12 29.662 -4.949 -12.544 1.00 0.00 N ATOM 187 CA LYS A 12 30.084 -5.196 -13.908 1.00 0.00 C ATOM 188 C LYS A 12 30.468 -3.883 -14.577 1.00 0.00 C ATOM 189 O LYS A 12 30.048 -2.814 -14.141 1.00 0.00 O ATOM 190 CB LYS A 12 28.955 -5.881 -14.672 1.00 0.00 C ATOM 191 CG LYS A 12 28.095 -6.680 -13.698 1.00 0.00 C ATOM 192 CD LYS A 12 27.188 -7.629 -14.478 1.00 0.00 C ATOM 193 CE LYS A 12 25.744 -7.145 -14.384 1.00 0.00 C ATOM 194 NZ LYS A 12 24.827 -8.268 -14.132 1.00 0.00 N ATOM 0 H LYS A 12 29.049 -4.141 -12.433 1.00 0.00 H new ATOM 0 HA LYS A 12 30.956 -5.850 -13.909 1.00 0.00 H new ATOM 0 HB2 LYS A 12 28.346 -5.138 -15.186 1.00 0.00 H new ATOM 0 HB3 LYS A 12 29.366 -6.540 -15.436 1.00 0.00 H new ATOM 0 HG2 LYS A 12 28.730 -7.246 -13.016 1.00 0.00 H new ATOM 0 HG3 LYS A 12 27.494 -6.005 -13.089 1.00 0.00 H new ATOM 0 HD2 LYS A 12 27.501 -7.673 -15.521 1.00 0.00 H new ATOM 0 HD3 LYS A 12 27.271 -8.639 -14.078 1.00 0.00 H new ATOM 0 HE2 LYS A 12 25.654 -6.411 -13.583 1.00 0.00 H new ATOM 0 HE3 LYS A 12 25.464 -6.643 -15.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 23.921 -7.903 -13.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 24.665 -8.789 -15.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 25.246 -8.907 -13.426 1.00 0.00 H new ATOM 208 N ALA A 13 31.271 -3.969 -15.641 1.00 0.00 N ATOM 209 CA ALA A 13 31.709 -2.792 -16.364 1.00 0.00 C ATOM 210 C ALA A 13 30.505 -1.937 -16.736 1.00 0.00 C ATOM 211 O ALA A 13 29.720 -2.311 -17.605 1.00 0.00 O ATOM 212 CB ALA A 13 32.476 -3.219 -17.612 1.00 0.00 C ATOM 0 H ALA A 13 31.627 -4.849 -16.015 1.00 0.00 H new ATOM 0 HA ALA A 13 32.370 -2.198 -15.733 1.00 0.00 H new ATOM 0 HB1 ALA A 13 32.806 -2.334 -18.157 1.00 0.00 H new ATOM 0 HB2 ALA A 13 33.344 -3.811 -17.321 1.00 0.00 H new ATOM 0 HB3 ALA A 13 31.827 -3.817 -18.251 1.00 0.00 H new ATOM 218 N THR A 14 30.361 -0.786 -16.075 1.00 0.00 N ATOM 219 CA THR A 14 29.255 0.110 -16.342 1.00 0.00 C ATOM 220 C THR A 14 29.745 1.318 -17.128 1.00 0.00 C ATOM 221 O THR A 14 30.946 1.567 -17.208 1.00 0.00 O ATOM 222 CB THR A 14 28.623 0.544 -15.022 1.00 0.00 C ATOM 223 OG1 THR A 14 27.571 1.446 -15.280 1.00 0.00 O ATOM 224 CG2 THR A 14 29.676 1.227 -14.153 1.00 0.00 C ATOM 0 H THR A 14 31.002 -0.460 -15.352 1.00 0.00 H new ATOM 0 HA THR A 14 28.502 -0.405 -16.939 1.00 0.00 H new ATOM 0 HB THR A 14 28.234 -0.331 -14.501 1.00 0.00 H new ATOM 0 HG1 THR A 14 27.163 1.724 -14.433 1.00 0.00 H new ATOM 0 HG21 THR A 14 29.225 1.537 -13.210 1.00 0.00 H new ATOM 0 HG22 THR A 14 30.491 0.531 -13.954 1.00 0.00 H new ATOM 0 HG23 THR A 14 30.066 2.102 -14.674 1.00 0.00 H new ATOM 232 N THR A 15 28.809 2.072 -17.709 1.00 0.00 N ATOM 233 CA THR A 15 29.150 3.249 -18.482 1.00 0.00 C ATOM 234 C THR A 15 28.518 4.483 -17.856 1.00 0.00 C ATOM 235 O THR A 15 28.388 5.518 -18.506 1.00 0.00 O ATOM 236 CB THR A 15 28.671 3.067 -19.919 1.00 0.00 C ATOM 237 OG1 THR A 15 29.167 4.120 -20.716 1.00 0.00 O ATOM 238 CG2 THR A 15 27.146 3.078 -19.954 1.00 0.00 C ATOM 0 H THR A 15 27.809 1.880 -17.653 1.00 0.00 H new ATOM 0 HA THR A 15 30.232 3.384 -18.486 1.00 0.00 H new ATOM 0 HB THR A 15 29.035 2.115 -20.305 1.00 0.00 H new ATOM 0 HG1 THR A 15 29.071 4.968 -20.234 1.00 0.00 H new ATOM 0 HG21 THR A 15 26.805 2.948 -20.981 1.00 0.00 H new ATOM 0 HG22 THR A 15 26.762 2.265 -19.338 1.00 0.00 H new ATOM 0 HG23 THR A 15 26.780 4.029 -19.568 1.00 0.00 H new ATOM 246 N CYS A 16 28.124 4.371 -16.585 1.00 0.00 N ATOM 247 CA CYS A 16 27.507 5.474 -15.874 1.00 0.00 C ATOM 248 C CYS A 16 28.561 6.517 -15.533 1.00 0.00 C ATOM 249 O CYS A 16 29.686 6.174 -15.175 1.00 0.00 O ATOM 250 CB CYS A 16 26.835 4.950 -14.609 1.00 0.00 C ATOM 251 SG CYS A 16 25.263 5.761 -14.222 1.00 0.00 S ATOM 0 H CYS A 16 28.226 3.520 -16.032 1.00 0.00 H new ATOM 0 HA CYS A 16 26.750 5.942 -16.503 1.00 0.00 H new ATOM 0 HB2 CYS A 16 26.663 3.879 -14.718 1.00 0.00 H new ATOM 0 HB3 CYS A 16 27.516 5.079 -13.768 1.00 0.00 H new ATOM 256 N SER A 17 28.194 7.796 -15.643 1.00 0.00 N ATOM 257 CA SER A 17 29.108 8.881 -15.345 1.00 0.00 C ATOM 258 C SER A 17 28.713 9.542 -14.032 1.00 0.00 C ATOM 259 O SER A 17 27.530 9.651 -13.718 1.00 0.00 O ATOM 260 CB SER A 17 29.086 9.892 -16.487 1.00 0.00 C ATOM 261 OG SER A 17 29.983 9.482 -17.495 1.00 0.00 O ATOM 0 H SER A 17 27.265 8.098 -15.938 1.00 0.00 H new ATOM 0 HA SER A 17 30.121 8.491 -15.242 1.00 0.00 H new ATOM 0 HB2 SER A 17 28.078 9.975 -16.894 1.00 0.00 H new ATOM 0 HB3 SER A 17 29.363 10.879 -16.118 1.00 0.00 H new ATOM 0 HG SER A 17 29.968 10.130 -18.230 1.00 0.00 H new ATOM 267 N ASN A 18 29.710 9.986 -13.263 1.00 0.00 N ATOM 268 CA ASN A 18 29.463 10.635 -11.991 1.00 0.00 C ATOM 269 C ASN A 18 28.737 11.954 -12.214 1.00 0.00 C ATOM 270 O ASN A 18 29.292 13.022 -11.967 1.00 0.00 O ATOM 271 CB ASN A 18 30.789 10.863 -11.272 1.00 0.00 C ATOM 272 CG ASN A 18 31.873 11.288 -12.252 1.00 0.00 C ATOM 273 OD1 ASN A 18 31.639 12.138 -13.109 1.00 0.00 O ATOM 274 ND2 ASN A 18 33.062 10.697 -12.124 1.00 0.00 N ATOM 0 H ASN A 18 30.697 9.903 -13.508 1.00 0.00 H new ATOM 0 HA ASN A 18 28.832 9.998 -11.371 1.00 0.00 H new ATOM 0 HB2 ASN A 18 30.665 11.629 -10.506 1.00 0.00 H new ATOM 0 HB3 ASN A 18 31.093 9.949 -10.762 1.00 0.00 H new ATOM 0 HD21 ASN A 18 33.825 10.945 -12.753 1.00 0.00 H new ATOM 0 HD22 ASN A 18 33.208 9.997 -11.397 1.00 0.00 H new ATOM 281 N GLN A 19 27.490 11.876 -12.683 1.00 0.00 N ATOM 282 CA GLN A 19 26.693 13.061 -12.938 1.00 0.00 C ATOM 283 C GLN A 19 25.658 13.233 -11.837 1.00 0.00 C ATOM 284 O GLN A 19 25.415 12.313 -11.058 1.00 0.00 O ATOM 285 CB GLN A 19 26.019 12.935 -14.300 1.00 0.00 C ATOM 286 CG GLN A 19 25.079 14.117 -14.515 1.00 0.00 C ATOM 287 CD GLN A 19 25.113 14.582 -15.965 1.00 0.00 C ATOM 288 OE1 GLN A 19 25.925 15.428 -16.329 1.00 0.00 O ATOM 289 NE2 GLN A 19 24.226 14.024 -16.792 1.00 0.00 N ATOM 0 H GLN A 19 27.016 10.998 -12.892 1.00 0.00 H new ATOM 0 HA GLN A 19 27.335 13.942 -12.945 1.00 0.00 H new ATOM 0 HB2 GLN A 19 26.771 12.907 -15.088 1.00 0.00 H new ATOM 0 HB3 GLN A 19 25.463 11.999 -14.357 1.00 0.00 H new ATOM 0 HG2 GLN A 19 24.062 13.832 -14.244 1.00 0.00 H new ATOM 0 HG3 GLN A 19 25.366 14.939 -13.859 1.00 0.00 H new ATOM 0 HE21 GLN A 19 23.571 13.325 -16.441 1.00 0.00 H new ATOM 0 HE22 GLN A 19 24.203 14.297 -17.775 1.00 0.00 H new ATOM 298 N ASP A 20 25.044 14.417 -11.773 1.00 0.00 N ATOM 299 CA ASP A 20 24.040 14.705 -10.770 1.00 0.00 C ATOM 300 C ASP A 20 23.068 13.537 -10.664 1.00 0.00 C ATOM 301 O ASP A 20 22.534 13.267 -9.591 1.00 0.00 O ATOM 302 CB ASP A 20 23.304 15.989 -11.141 1.00 0.00 C ATOM 303 CG ASP A 20 24.286 17.110 -11.444 1.00 0.00 C ATOM 304 OD1 ASP A 20 25.272 17.222 -10.684 1.00 0.00 O ATOM 305 OD2 ASP A 20 24.033 17.837 -12.430 1.00 0.00 O ATOM 0 H ASP A 20 25.232 15.189 -12.412 1.00 0.00 H new ATOM 0 HA ASP A 20 24.518 14.844 -9.800 1.00 0.00 H new ATOM 0 HB2 ASP A 20 22.670 15.811 -12.009 1.00 0.00 H new ATOM 0 HB3 ASP A 20 22.648 16.286 -10.323 1.00 0.00 H new ATOM 310 N GLN A 21 22.841 12.845 -11.782 1.00 0.00 N ATOM 311 CA GLN A 21 21.935 11.714 -11.809 1.00 0.00 C ATOM 312 C GLN A 21 22.499 10.622 -12.709 1.00 0.00 C ATOM 313 O GLN A 21 22.899 10.893 -13.840 1.00 0.00 O ATOM 314 CB GLN A 21 20.567 12.171 -12.305 1.00 0.00 C ATOM 315 CG GLN A 21 19.558 11.039 -12.134 1.00 0.00 C ATOM 316 CD GLN A 21 18.160 11.492 -12.529 1.00 0.00 C ATOM 317 OE1 GLN A 21 17.833 11.542 -13.712 1.00 0.00 O ATOM 318 NE2 GLN A 21 17.335 11.825 -11.533 1.00 0.00 N ATOM 0 H GLN A 21 23.278 13.055 -12.679 1.00 0.00 H new ATOM 0 HA GLN A 21 21.825 11.307 -10.804 1.00 0.00 H new ATOM 0 HB2 GLN A 21 20.241 13.050 -11.748 1.00 0.00 H new ATOM 0 HB3 GLN A 21 20.628 12.463 -13.353 1.00 0.00 H new ATOM 0 HG2 GLN A 21 19.855 10.187 -12.746 1.00 0.00 H new ATOM 0 HG3 GLN A 21 19.556 10.702 -11.097 1.00 0.00 H new ATOM 0 HE21 GLN A 21 17.654 11.767 -10.566 1.00 0.00 H new ATOM 0 HE22 GLN A 21 16.386 12.138 -11.740 1.00 0.00 H new ATOM 327 N CYS A 22 22.528 9.387 -12.204 1.00 0.00 N ATOM 328 CA CYS A 22 23.040 8.263 -12.963 1.00 0.00 C ATOM 329 C CYS A 22 22.134 7.055 -12.767 1.00 0.00 C ATOM 330 O CYS A 22 21.298 7.042 -11.866 1.00 0.00 O ATOM 331 CB CYS A 22 24.463 7.951 -12.509 1.00 0.00 C ATOM 332 SG CYS A 22 25.613 7.624 -13.869 1.00 0.00 S ATOM 0 H CYS A 22 22.200 9.148 -11.268 1.00 0.00 H new ATOM 0 HA CYS A 22 23.057 8.512 -14.024 1.00 0.00 H new ATOM 0 HB2 CYS A 22 24.839 8.789 -11.922 1.00 0.00 H new ATOM 0 HB3 CYS A 22 24.441 7.084 -11.848 1.00 0.00 H new ATOM 337 N THR A 23 22.302 6.038 -13.615 1.00 0.00 N ATOM 338 CA THR A 23 21.500 4.835 -13.529 1.00 0.00 C ATOM 339 C THR A 23 22.376 3.654 -13.136 1.00 0.00 C ATOM 340 O THR A 23 23.580 3.660 -13.384 1.00 0.00 O ATOM 341 CB THR A 23 20.819 4.580 -14.870 1.00 0.00 C ATOM 342 OG1 THR A 23 20.028 5.696 -15.215 1.00 0.00 O ATOM 343 CG2 THR A 23 19.935 3.341 -14.766 1.00 0.00 C ATOM 0 H THR A 23 22.990 6.032 -14.368 1.00 0.00 H new ATOM 0 HA THR A 23 20.733 4.961 -12.765 1.00 0.00 H new ATOM 0 HB THR A 23 21.577 4.420 -15.637 1.00 0.00 H new ATOM 0 HG1 THR A 23 19.592 5.534 -16.077 1.00 0.00 H new ATOM 0 HG21 THR A 23 19.449 3.159 -15.724 1.00 0.00 H new ATOM 0 HG22 THR A 23 20.547 2.479 -14.500 1.00 0.00 H new ATOM 0 HG23 THR A 23 19.177 3.498 -13.999 1.00 0.00 H new ATOM 351 N SER A 24 21.766 2.637 -12.521 1.00 0.00 N ATOM 352 CA SER A 24 22.490 1.455 -12.099 1.00 0.00 C ATOM 353 C SER A 24 22.674 0.513 -13.279 1.00 0.00 C ATOM 354 O SER A 24 23.569 -0.330 -13.273 1.00 0.00 O ATOM 355 CB SER A 24 21.727 0.769 -10.971 1.00 0.00 C ATOM 356 OG SER A 24 22.148 -0.574 -10.870 1.00 0.00 O ATOM 0 H SER A 24 20.769 2.617 -12.308 1.00 0.00 H new ATOM 0 HA SER A 24 23.476 1.739 -11.732 1.00 0.00 H new ATOM 0 HB2 SER A 24 21.903 1.289 -10.029 1.00 0.00 H new ATOM 0 HB3 SER A 24 20.655 0.812 -11.163 1.00 0.00 H new ATOM 0 HG SER A 24 22.822 -0.758 -11.557 1.00 0.00 H new ATOM 362 N ASN A 25 21.821 0.657 -14.297 1.00 0.00 N ATOM 363 CA ASN A 25 21.894 -0.180 -15.478 1.00 0.00 C ATOM 364 C ASN A 25 21.398 -1.581 -15.152 1.00 0.00 C ATOM 365 O ASN A 25 21.304 -2.431 -16.035 1.00 0.00 O ATOM 366 CB ASN A 25 23.334 -0.219 -15.983 1.00 0.00 C ATOM 367 CG ASN A 25 23.387 -0.666 -17.437 1.00 0.00 C ATOM 368 OD1 ASN A 25 23.517 -1.855 -17.719 1.00 0.00 O ATOM 369 ND2 ASN A 25 23.285 0.292 -18.361 1.00 0.00 N ATOM 0 H ASN A 25 21.073 1.350 -14.318 1.00 0.00 H new ATOM 0 HA ASN A 25 21.258 0.234 -16.261 1.00 0.00 H new ATOM 0 HB2 ASN A 25 23.785 0.769 -15.885 1.00 0.00 H new ATOM 0 HB3 ASN A 25 23.921 -0.900 -15.367 1.00 0.00 H new ATOM 0 HD21 ASN A 25 23.314 0.050 -19.352 1.00 0.00 H new ATOM 0 HD22 ASN A 25 23.178 1.266 -18.076 1.00 0.00 H new ATOM 376 N CYS A 26 21.080 -1.820 -13.878 1.00 0.00 N ATOM 377 CA CYS A 26 20.596 -3.114 -13.440 1.00 0.00 C ATOM 378 C CYS A 26 19.227 -3.384 -14.048 1.00 0.00 C ATOM 379 O CYS A 26 18.565 -2.464 -14.525 1.00 0.00 O ATOM 380 CB CYS A 26 20.525 -3.140 -11.915 1.00 0.00 C ATOM 381 SG CYS A 26 20.045 -4.744 -11.229 1.00 0.00 S ATOM 0 H CYS A 26 21.152 -1.125 -13.135 1.00 0.00 H new ATOM 0 HA CYS A 26 21.280 -3.895 -13.772 1.00 0.00 H new ATOM 0 HB2 CYS A 26 21.498 -2.860 -11.511 1.00 0.00 H new ATOM 0 HB3 CYS A 26 19.812 -2.386 -11.582 1.00 0.00 H new ATOM 386 N ASN A 27 18.803 -4.649 -14.032 1.00 0.00 N ATOM 387 CA ASN A 27 17.518 -5.032 -14.580 1.00 0.00 C ATOM 388 C ASN A 27 16.925 -6.173 -13.767 1.00 0.00 C ATOM 389 O ASN A 27 16.199 -7.009 -14.300 1.00 0.00 O ATOM 390 CB ASN A 27 17.692 -5.441 -16.040 1.00 0.00 C ATOM 391 CG ASN A 27 18.689 -6.582 -16.170 1.00 0.00 C ATOM 392 OD1 ASN A 27 19.804 -6.383 -16.645 1.00 0.00 O ATOM 393 ND2 ASN A 27 18.288 -7.781 -15.742 1.00 0.00 N ATOM 0 H ASN A 27 19.340 -5.423 -13.641 1.00 0.00 H new ATOM 0 HA ASN A 27 16.832 -4.186 -14.531 1.00 0.00 H new ATOM 0 HB2 ASN A 27 16.730 -5.744 -16.454 1.00 0.00 H new ATOM 0 HB3 ASN A 27 18.034 -4.586 -16.623 1.00 0.00 H new ATOM 0 HD21 ASN A 27 18.918 -8.581 -15.802 1.00 0.00 H new ATOM 0 HD22 ASN A 27 17.352 -7.897 -15.355 1.00 0.00 H new ATOM 400 N ILE A 28 17.238 -6.206 -12.469 1.00 0.00 N ATOM 401 CA ILE A 28 16.736 -7.240 -11.586 1.00 0.00 C ATOM 402 C ILE A 28 15.988 -6.605 -10.422 1.00 0.00 C ATOM 403 O ILE A 28 16.312 -5.495 -10.005 1.00 0.00 O ATOM 404 CB ILE A 28 17.901 -8.089 -11.084 1.00 0.00 C ATOM 405 CG1 ILE A 28 18.601 -8.746 -12.271 1.00 0.00 C ATOM 406 CG2 ILE A 28 17.375 -9.168 -10.142 1.00 0.00 C ATOM 407 CD1 ILE A 28 19.556 -9.823 -11.764 1.00 0.00 C ATOM 0 H ILE A 28 17.840 -5.521 -12.013 1.00 0.00 H new ATOM 0 HA ILE A 28 16.043 -7.883 -12.129 1.00 0.00 H new ATOM 0 HB ILE A 28 18.609 -7.455 -10.551 1.00 0.00 H new ATOM 0 HG12 ILE A 28 17.865 -9.185 -12.944 1.00 0.00 H new ATOM 0 HG13 ILE A 28 19.150 -7.998 -12.843 1.00 0.00 H new ATOM 0 HG21 ILE A 28 18.206 -9.775 -9.783 1.00 0.00 H new ATOM 0 HG22 ILE A 28 16.876 -8.699 -9.294 1.00 0.00 H new ATOM 0 HG23 ILE A 28 16.667 -9.802 -10.675 1.00 0.00 H new ATOM 0 HD11 ILE A 28 20.057 -10.293 -12.610 1.00 0.00 H new ATOM 0 HD12 ILE A 28 20.300 -9.370 -11.108 1.00 0.00 H new ATOM 0 HD13 ILE A 28 18.995 -10.576 -11.211 1.00 0.00 H new ATOM 419 N THR A 29 14.985 -7.312 -9.897 1.00 0.00 N ATOM 420 CA THR A 29 14.201 -6.812 -8.786 1.00 0.00 C ATOM 421 C THR A 29 14.269 -7.790 -7.622 1.00 0.00 C ATOM 422 O THR A 29 13.601 -8.821 -7.632 1.00 0.00 O ATOM 423 CB THR A 29 12.757 -6.606 -9.235 1.00 0.00 C ATOM 424 OG1 THR A 29 12.743 -6.005 -10.511 1.00 0.00 O ATOM 425 CG2 THR A 29 12.038 -5.702 -8.238 1.00 0.00 C ATOM 0 H THR A 29 14.703 -8.234 -10.230 1.00 0.00 H new ATOM 0 HA THR A 29 14.605 -5.856 -8.454 1.00 0.00 H new ATOM 0 HB THR A 29 12.250 -7.570 -9.282 1.00 0.00 H new ATOM 0 HG1 THR A 29 11.816 -5.874 -10.801 1.00 0.00 H new ATOM 0 HG21 THR A 29 11.007 -5.555 -8.558 1.00 0.00 H new ATOM 0 HG22 THR A 29 12.049 -6.167 -7.252 1.00 0.00 H new ATOM 0 HG23 THR A 29 12.544 -4.738 -8.190 1.00 0.00 H new ATOM 433 N SER A 30 15.081 -7.461 -6.615 1.00 0.00 N ATOM 434 CA SER A 30 15.233 -8.308 -5.448 1.00 0.00 C ATOM 435 C SER A 30 14.310 -7.828 -4.337 1.00 0.00 C ATOM 436 O SER A 30 14.267 -6.637 -4.033 1.00 0.00 O ATOM 437 CB SER A 30 16.688 -8.286 -4.990 1.00 0.00 C ATOM 438 OG SER A 30 17.066 -6.960 -4.694 1.00 0.00 O ATOM 0 H SER A 30 15.642 -6.609 -6.592 1.00 0.00 H new ATOM 0 HA SER A 30 14.961 -9.333 -5.701 1.00 0.00 H new ATOM 0 HB2 SER A 30 16.813 -8.917 -4.110 1.00 0.00 H new ATOM 0 HB3 SER A 30 17.332 -8.694 -5.769 1.00 0.00 H new ATOM 0 HG SER A 30 17.085 -6.433 -5.520 1.00 0.00 H new ATOM 444 N ILE A 31 13.569 -8.758 -3.731 1.00 0.00 N ATOM 445 CA ILE A 31 12.653 -8.430 -2.657 1.00 0.00 C ATOM 446 C ILE A 31 13.414 -8.335 -1.343 1.00 0.00 C ATOM 447 O ILE A 31 14.260 -9.178 -1.050 1.00 0.00 O ATOM 448 CB ILE A 31 11.563 -9.495 -2.576 1.00 0.00 C ATOM 449 CG1 ILE A 31 12.088 -10.806 -3.151 1.00 0.00 C ATOM 450 CG2 ILE A 31 10.347 -9.039 -3.376 1.00 0.00 C ATOM 451 CD1 ILE A 31 12.147 -10.706 -4.674 1.00 0.00 C ATOM 0 H ILE A 31 13.592 -9.748 -3.974 1.00 0.00 H new ATOM 0 HA ILE A 31 12.185 -7.465 -2.854 1.00 0.00 H new ATOM 0 HB ILE A 31 11.278 -9.644 -1.535 1.00 0.00 H new ATOM 0 HG12 ILE A 31 13.079 -11.020 -2.751 1.00 0.00 H new ATOM 0 HG13 ILE A 31 11.440 -11.631 -2.855 1.00 0.00 H new ATOM 0 HG21 ILE A 31 9.568 -9.799 -3.319 1.00 0.00 H new ATOM 0 HG22 ILE A 31 9.971 -8.102 -2.964 1.00 0.00 H new ATOM 0 HG23 ILE A 31 10.632 -8.889 -4.417 1.00 0.00 H new ATOM 0 HD11 ILE A 31 12.522 -11.643 -5.086 1.00 0.00 H new ATOM 0 HD12 ILE A 31 11.148 -10.512 -5.065 1.00 0.00 H new ATOM 0 HD13 ILE A 31 12.813 -9.892 -4.960 1.00 0.00 H new ATOM 463 N CYS A 32 13.113 -7.304 -0.549 1.00 0.00 N ATOM 464 CA CYS A 32 13.768 -7.104 0.728 1.00 0.00 C ATOM 465 C CYS A 32 12.724 -6.954 1.825 1.00 0.00 C ATOM 466 O CYS A 32 12.869 -6.119 2.714 1.00 0.00 O ATOM 467 CB CYS A 32 14.657 -5.865 0.654 1.00 0.00 C ATOM 468 SG CYS A 32 16.014 -6.003 -0.536 1.00 0.00 S ATOM 0 H CYS A 32 12.415 -6.596 -0.778 1.00 0.00 H new ATOM 0 HA CYS A 32 14.390 -7.968 0.962 1.00 0.00 H new ATOM 0 HB2 CYS A 32 14.042 -5.004 0.390 1.00 0.00 H new ATOM 0 HB3 CYS A 32 15.073 -5.669 1.642 1.00 0.00 H new ATOM 538 N GLU A 37 15.839 -4.780 5.275 1.00 0.00 N ATOM 539 CA GLU A 37 16.802 -4.571 4.212 1.00 0.00 C ATOM 540 C GLU A 37 16.494 -3.271 3.482 1.00 0.00 C ATOM 541 O GLU A 37 15.396 -2.731 3.603 1.00 0.00 O ATOM 542 CB GLU A 37 16.762 -5.755 3.251 1.00 0.00 C ATOM 543 CG GLU A 37 17.968 -6.656 3.504 1.00 0.00 C ATOM 544 CD GLU A 37 17.841 -7.368 4.844 1.00 0.00 C ATOM 545 OE1 GLU A 37 17.699 -6.651 5.857 1.00 0.00 O ATOM 546 OE2 GLU A 37 17.890 -8.617 4.828 1.00 0.00 O ATOM 0 HA GLU A 37 17.804 -4.496 4.634 1.00 0.00 H new ATOM 0 HB2 GLU A 37 15.839 -6.318 3.389 1.00 0.00 H new ATOM 0 HB3 GLU A 37 16.769 -5.401 2.220 1.00 0.00 H new ATOM 0 HG2 GLU A 37 18.053 -7.391 2.703 1.00 0.00 H new ATOM 0 HG3 GLU A 37 18.881 -6.061 3.488 1.00 0.00 H new ATOM 553 N VAL A 38 17.469 -2.771 2.720 1.00 0.00 N ATOM 554 CA VAL A 38 17.300 -1.540 1.972 1.00 0.00 C ATOM 555 C VAL A 38 18.017 -1.649 0.634 1.00 0.00 C ATOM 556 O VAL A 38 18.801 -2.571 0.421 1.00 0.00 O ATOM 557 CB VAL A 38 17.849 -0.372 2.787 1.00 0.00 C ATOM 558 CG1 VAL A 38 17.282 0.937 2.245 1.00 0.00 C ATOM 559 CG2 VAL A 38 17.443 -0.536 4.249 1.00 0.00 C ATOM 0 H VAL A 38 18.384 -3.207 2.610 1.00 0.00 H new ATOM 0 HA VAL A 38 16.241 -1.366 1.781 1.00 0.00 H new ATOM 0 HB VAL A 38 18.936 -0.356 2.712 1.00 0.00 H new ATOM 0 HG11 VAL A 38 17.674 1.772 2.827 1.00 0.00 H new ATOM 0 HG12 VAL A 38 17.572 1.055 1.201 1.00 0.00 H new ATOM 0 HG13 VAL A 38 16.195 0.921 2.320 1.00 0.00 H new ATOM 0 HG21 VAL A 38 17.835 0.298 4.831 1.00 0.00 H new ATOM 0 HG22 VAL A 38 16.356 -0.552 4.325 1.00 0.00 H new ATOM 0 HG23 VAL A 38 17.848 -1.471 4.636 1.00 0.00 H new ATOM 569 N CYS A 39 17.745 -0.703 -0.269 1.00 0.00 N ATOM 570 CA CYS A 39 18.363 -0.697 -1.580 1.00 0.00 C ATOM 571 C CYS A 39 19.630 0.146 -1.546 1.00 0.00 C ATOM 572 O CYS A 39 19.592 1.314 -1.166 1.00 0.00 O ATOM 573 CB CYS A 39 17.375 -0.146 -2.604 1.00 0.00 C ATOM 574 SG CYS A 39 15.659 -0.643 -2.311 1.00 0.00 S ATOM 0 H CYS A 39 17.097 0.068 -0.107 1.00 0.00 H new ATOM 0 HA CYS A 39 18.633 -1.714 -1.866 1.00 0.00 H new ATOM 0 HB2 CYS A 39 17.433 0.942 -2.601 1.00 0.00 H new ATOM 0 HB3 CYS A 39 17.674 -0.478 -3.598 1.00 0.00 H new ATOM 579 N ALA A 40 20.755 -0.451 -1.946 1.00 0.00 N ATOM 580 CA ALA A 40 22.027 0.245 -1.959 1.00 0.00 C ATOM 581 C ALA A 40 22.724 0.019 -3.293 1.00 0.00 C ATOM 582 O ALA A 40 22.831 -1.114 -3.756 1.00 0.00 O ATOM 583 CB ALA A 40 22.891 -0.255 -0.805 1.00 0.00 C ATOM 0 H ALA A 40 20.802 -1.419 -2.265 1.00 0.00 H new ATOM 0 HA ALA A 40 21.862 1.315 -1.835 1.00 0.00 H new ATOM 0 HB1 ALA A 40 23.848 0.267 -0.814 1.00 0.00 H new ATOM 0 HB2 ALA A 40 22.382 -0.064 0.140 1.00 0.00 H new ATOM 0 HB3 ALA A 40 23.062 -1.326 -0.916 1.00 0.00 H new ATOM 589 N ALA A 41 23.198 1.103 -3.911 1.00 0.00 N ATOM 590 CA ALA A 41 23.881 1.020 -5.186 1.00 0.00 C ATOM 591 C ALA A 41 25.206 1.765 -5.112 1.00 0.00 C ATOM 592 O ALA A 41 25.235 2.953 -4.800 1.00 0.00 O ATOM 593 CB ALA A 41 22.990 1.607 -6.278 1.00 0.00 C ATOM 0 H ALA A 41 23.116 2.049 -3.540 1.00 0.00 H new ATOM 0 HA ALA A 41 24.088 -0.023 -5.425 1.00 0.00 H new ATOM 0 HB1 ALA A 41 23.503 1.545 -7.238 1.00 0.00 H new ATOM 0 HB2 ALA A 41 22.057 1.045 -6.328 1.00 0.00 H new ATOM 0 HB3 ALA A 41 22.773 2.650 -6.049 1.00 0.00 H new ATOM 599 N VAL A 42 26.304 1.063 -5.401 1.00 0.00 N ATOM 600 CA VAL A 42 27.624 1.660 -5.366 1.00 0.00 C ATOM 601 C VAL A 42 28.234 1.644 -6.760 1.00 0.00 C ATOM 602 O VAL A 42 28.327 0.591 -7.387 1.00 0.00 O ATOM 603 CB VAL A 42 28.503 0.891 -4.383 1.00 0.00 C ATOM 604 CG1 VAL A 42 28.492 -0.592 -4.741 1.00 0.00 C ATOM 605 CG2 VAL A 42 29.931 1.422 -4.455 1.00 0.00 C ATOM 0 H VAL A 42 26.296 0.077 -5.662 1.00 0.00 H new ATOM 0 HA VAL A 42 27.550 2.696 -5.035 1.00 0.00 H new ATOM 0 HB VAL A 42 28.117 1.022 -3.372 1.00 0.00 H new ATOM 0 HG11 VAL A 42 29.120 -1.140 -4.039 1.00 0.00 H new ATOM 0 HG12 VAL A 42 27.472 -0.971 -4.688 1.00 0.00 H new ATOM 0 HG13 VAL A 42 28.877 -0.725 -5.752 1.00 0.00 H new ATOM 0 HG21 VAL A 42 30.559 0.873 -3.753 1.00 0.00 H new ATOM 0 HG22 VAL A 42 30.317 1.292 -5.466 1.00 0.00 H new ATOM 0 HG23 VAL A 42 29.939 2.481 -4.197 1.00 0.00 H new ATOM 615 N TRP A 43 28.650 2.815 -7.246 1.00 0.00 N ATOM 616 CA TRP A 43 29.249 2.924 -8.560 1.00 0.00 C ATOM 617 C TRP A 43 30.705 3.348 -8.433 1.00 0.00 C ATOM 618 O TRP A 43 31.003 4.399 -7.871 1.00 0.00 O ATOM 619 CB TRP A 43 28.464 3.934 -9.393 1.00 0.00 C ATOM 620 CG TRP A 43 29.088 4.290 -10.704 1.00 0.00 C ATOM 621 CD1 TRP A 43 28.753 3.756 -11.899 1.00 0.00 C ATOM 622 CD2 TRP A 43 30.152 5.250 -10.982 1.00 0.00 C ATOM 623 NE1 TRP A 43 29.532 4.316 -12.889 1.00 0.00 N ATOM 624 CE2 TRP A 43 30.414 5.245 -12.379 1.00 0.00 C ATOM 625 CE3 TRP A 43 30.923 6.126 -10.196 1.00 0.00 C ATOM 626 CZ2 TRP A 43 31.385 6.062 -12.963 1.00 0.00 C ATOM 627 CZ3 TRP A 43 31.901 6.949 -10.773 1.00 0.00 C ATOM 628 CH2 TRP A 43 32.134 6.919 -12.153 1.00 0.00 C ATOM 0 H TRP A 43 28.579 3.698 -6.741 1.00 0.00 H new ATOM 0 HA TRP A 43 29.217 1.955 -9.059 1.00 0.00 H new ATOM 0 HB2 TRP A 43 27.467 3.533 -9.579 1.00 0.00 H new ATOM 0 HB3 TRP A 43 28.338 4.845 -8.808 1.00 0.00 H new ATOM 0 HD1 TRP A 43 27.992 3.006 -12.055 1.00 0.00 H new ATOM 0 HE1 TRP A 43 29.464 4.073 -13.877 1.00 0.00 H new ATOM 0 HE3 TRP A 43 30.759 6.165 -9.129 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 31.555 6.031 -14.029 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 32.480 7.612 -10.147 1.00 0.00 H new ATOM 0 HH2 TRP A 43 32.889 7.556 -12.590 1.00 0.00 H new ATOM 639 N ARG A 44 31.614 2.523 -8.958 1.00 0.00 N ATOM 640 CA ARG A 44 33.033 2.812 -8.900 1.00 0.00 C ATOM 641 C ARG A 44 33.583 2.976 -10.310 1.00 0.00 C ATOM 642 O ARG A 44 33.043 2.411 -11.259 1.00 0.00 O ATOM 643 CB ARG A 44 33.752 1.683 -8.168 1.00 0.00 C ATOM 644 CG ARG A 44 32.747 0.903 -7.325 1.00 0.00 C ATOM 645 CD ARG A 44 33.406 -0.367 -6.793 1.00 0.00 C ATOM 646 NE ARG A 44 34.521 -0.777 -7.647 1.00 0.00 N ATOM 647 CZ ARG A 44 34.803 -2.062 -7.905 1.00 0.00 C ATOM 648 NH1 ARG A 44 34.048 -3.033 -7.374 1.00 0.00 N ATOM 649 NH2 ARG A 44 35.839 -2.375 -8.695 1.00 0.00 N ATOM 0 H ARG A 44 31.383 1.648 -9.428 1.00 0.00 H new ATOM 0 HA ARG A 44 33.197 3.742 -8.356 1.00 0.00 H new ATOM 0 HB2 ARG A 44 34.234 1.019 -8.885 1.00 0.00 H new ATOM 0 HB3 ARG A 44 34.538 2.090 -7.532 1.00 0.00 H new ATOM 0 HG2 ARG A 44 32.396 1.518 -6.496 1.00 0.00 H new ATOM 0 HG3 ARG A 44 31.873 0.648 -7.925 1.00 0.00 H new ATOM 0 HD2 ARG A 44 33.764 -0.197 -5.778 1.00 0.00 H new ATOM 0 HD3 ARG A 44 32.669 -1.169 -6.741 1.00 0.00 H new ATOM 0 HE ARG A 44 35.109 -0.055 -8.064 1.00 0.00 H new ATOM 0 HH11 ARG A 44 33.259 -2.795 -6.774 1.00 0.00 H new ATOM 0 HH12 ARG A 44 34.262 -4.011 -7.570 1.00 0.00 H new ATOM 0 HH21 ARG A 44 36.413 -1.636 -9.100 1.00 0.00 H new ATOM 0 HH22 ARG A 44 36.054 -3.353 -8.891 1.00 0.00 H new ATOM 663 N ARG A 45 34.661 3.752 -10.446 1.00 0.00 N ATOM 664 CA ARG A 45 35.277 3.988 -11.736 1.00 0.00 C ATOM 665 C ARG A 45 36.791 4.016 -11.586 1.00 0.00 C ATOM 666 O ARG A 45 37.344 4.958 -11.025 1.00 0.00 O ATOM 667 CB ARG A 45 34.766 5.306 -12.310 1.00 0.00 C ATOM 668 CG ARG A 45 35.105 6.443 -11.351 1.00 0.00 C ATOM 669 CD ARG A 45 36.117 7.377 -12.007 1.00 0.00 C ATOM 670 NE ARG A 45 37.370 7.409 -11.251 1.00 0.00 N ATOM 671 CZ ARG A 45 38.382 8.231 -11.558 1.00 0.00 C ATOM 672 NH1 ARG A 45 38.272 9.072 -12.595 1.00 0.00 N ATOM 673 NH2 ARG A 45 39.505 8.213 -10.828 1.00 0.00 N ATOM 0 H ARG A 45 35.121 4.226 -9.669 1.00 0.00 H new ATOM 0 HA ARG A 45 35.014 3.183 -12.422 1.00 0.00 H new ATOM 0 HB2 ARG A 45 35.218 5.491 -13.284 1.00 0.00 H new ATOM 0 HB3 ARG A 45 33.688 5.255 -12.464 1.00 0.00 H new ATOM 0 HG2 ARG A 45 34.202 6.994 -11.090 1.00 0.00 H new ATOM 0 HG3 ARG A 45 35.513 6.041 -10.423 1.00 0.00 H new ATOM 0 HD2 ARG A 45 36.312 7.048 -13.028 1.00 0.00 H new ATOM 0 HD3 ARG A 45 35.701 8.382 -12.071 1.00 0.00 H new ATOM 0 HE ARG A 45 37.477 6.778 -10.456 1.00 0.00 H new ATOM 0 HH11 ARG A 45 37.417 9.087 -13.151 1.00 0.00 H new ATOM 0 HH12 ARG A 45 39.043 9.698 -12.828 1.00 0.00 H new ATOM 0 HH21 ARG A 45 39.590 7.573 -10.038 1.00 0.00 H new ATOM 0 HH22 ARG A 45 40.275 8.839 -11.062 1.00 0.00 H new ATOM 687 N ASN A 46 37.461 2.977 -12.090 1.00 0.00 N ATOM 688 CA ASN A 46 38.906 2.890 -12.011 1.00 0.00 C ATOM 689 C ASN A 46 39.516 3.119 -13.386 1.00 0.00 C ATOM 690 O ASN A 46 39.106 2.497 -14.363 1.00 0.00 O ATOM 691 CB ASN A 46 39.302 1.521 -11.465 1.00 0.00 C ATOM 692 CG ASN A 46 38.635 0.407 -12.258 1.00 0.00 C ATOM 693 OD1 ASN A 46 37.710 -0.238 -11.768 1.00 0.00 O ATOM 694 ND2 ASN A 46 39.105 0.181 -13.487 1.00 0.00 N ATOM 0 H ASN A 46 37.017 2.186 -12.557 1.00 0.00 H new ATOM 0 HA ASN A 46 39.283 3.660 -11.338 1.00 0.00 H new ATOM 0 HB2 ASN A 46 40.385 1.407 -11.510 1.00 0.00 H new ATOM 0 HB3 ASN A 46 39.017 1.447 -10.416 1.00 0.00 H new ATOM 0 HD21 ASN A 46 38.694 -0.554 -14.063 1.00 0.00 H new ATOM 0 HD22 ASN A 46 39.875 0.743 -13.850 1.00 0.00 H new ATOM 701 N ASP A 47 40.501 4.018 -13.459 1.00 0.00 N ATOM 702 CA ASP A 47 41.163 4.326 -14.711 1.00 0.00 C ATOM 703 C ASP A 47 40.133 4.433 -15.826 1.00 0.00 C ATOM 704 O ASP A 47 39.488 5.468 -15.981 1.00 0.00 O ATOM 705 CB ASP A 47 42.187 3.239 -15.025 1.00 0.00 C ATOM 706 CG ASP A 47 43.397 3.352 -14.109 1.00 0.00 C ATOM 707 OD1 ASP A 47 43.216 3.106 -12.896 1.00 0.00 O ATOM 708 OD2 ASP A 47 44.481 3.683 -14.637 1.00 0.00 O ATOM 0 H ASP A 47 40.852 4.542 -12.658 1.00 0.00 H new ATOM 0 HA ASP A 47 41.680 5.282 -14.627 1.00 0.00 H new ATOM 0 HB2 ASP A 47 41.728 2.257 -14.909 1.00 0.00 H new ATOM 0 HB3 ASP A 47 42.504 3.322 -16.065 1.00 0.00 H new ATOM 713 N GLU A 48 39.977 3.360 -16.604 1.00 0.00 N ATOM 714 CA GLU A 48 39.026 3.342 -17.697 1.00 0.00 C ATOM 715 C GLU A 48 38.079 2.159 -17.542 1.00 0.00 C ATOM 716 O GLU A 48 37.447 1.735 -18.507 1.00 0.00 O ATOM 717 CB GLU A 48 39.778 3.262 -19.023 1.00 0.00 C ATOM 718 CG GLU A 48 40.704 4.467 -19.155 1.00 0.00 C ATOM 719 CD GLU A 48 41.105 4.688 -20.606 1.00 0.00 C ATOM 720 OE1 GLU A 48 41.999 3.947 -21.067 1.00 0.00 O ATOM 721 OE2 GLU A 48 40.508 5.594 -21.229 1.00 0.00 O ATOM 0 H GLU A 48 40.503 2.494 -16.490 1.00 0.00 H new ATOM 0 HA GLU A 48 38.435 4.258 -17.683 1.00 0.00 H new ATOM 0 HB2 GLU A 48 40.356 2.339 -19.071 1.00 0.00 H new ATOM 0 HB3 GLU A 48 39.072 3.240 -19.853 1.00 0.00 H new ATOM 0 HG2 GLU A 48 40.205 5.357 -18.772 1.00 0.00 H new ATOM 0 HG3 GLU A 48 41.595 4.314 -18.547 1.00 0.00 H new ATOM 728 N ASN A 49 37.984 1.627 -16.321 1.00 0.00 N ATOM 729 CA ASN A 49 37.116 0.500 -16.046 1.00 0.00 C ATOM 730 C ASN A 49 36.146 0.852 -14.928 1.00 0.00 C ATOM 731 O ASN A 49 36.493 0.773 -13.752 1.00 0.00 O ATOM 732 CB ASN A 49 37.963 -0.710 -15.665 1.00 0.00 C ATOM 733 CG ASN A 49 37.858 -1.802 -16.720 1.00 0.00 C ATOM 734 OD1 ASN A 49 36.794 -2.005 -17.301 1.00 0.00 O ATOM 735 ND2 ASN A 49 38.965 -2.504 -16.969 1.00 0.00 N ATOM 0 H ASN A 49 38.503 1.966 -15.511 1.00 0.00 H new ATOM 0 HA ASN A 49 36.537 0.258 -16.937 1.00 0.00 H new ATOM 0 HB2 ASN A 49 39.004 -0.408 -15.551 1.00 0.00 H new ATOM 0 HB3 ASN A 49 37.636 -1.098 -14.700 1.00 0.00 H new ATOM 0 HD21 ASN A 49 38.952 -3.247 -17.668 1.00 0.00 H new ATOM 0 HD22 ASN A 49 39.825 -2.298 -16.460 1.00 0.00 H new ATOM 742 N VAL A 50 34.925 1.243 -15.300 1.00 0.00 N ATOM 743 CA VAL A 50 33.910 1.606 -14.330 1.00 0.00 C ATOM 744 C VAL A 50 32.990 0.419 -14.079 1.00 0.00 C ATOM 745 O VAL A 50 32.497 -0.198 -15.021 1.00 0.00 O ATOM 746 CB VAL A 50 33.118 2.803 -14.848 1.00 0.00 C ATOM 747 CG1 VAL A 50 32.086 3.221 -13.804 1.00 0.00 C ATOM 748 CG2 VAL A 50 34.071 3.965 -15.114 1.00 0.00 C ATOM 0 H VAL A 50 34.622 1.314 -16.271 1.00 0.00 H new ATOM 0 HA VAL A 50 34.383 1.880 -13.387 1.00 0.00 H new ATOM 0 HB VAL A 50 32.609 2.530 -15.772 1.00 0.00 H new ATOM 0 HG11 VAL A 50 31.520 4.076 -14.174 1.00 0.00 H new ATOM 0 HG12 VAL A 50 31.406 2.391 -13.612 1.00 0.00 H new ATOM 0 HG13 VAL A 50 32.594 3.495 -12.879 1.00 0.00 H new ATOM 0 HG21 VAL A 50 33.507 4.821 -15.484 1.00 0.00 H new ATOM 0 HG22 VAL A 50 34.579 4.238 -14.189 1.00 0.00 H new ATOM 0 HG23 VAL A 50 34.809 3.667 -15.859 1.00 0.00 H new ATOM 758 N THR A 51 32.760 0.099 -12.803 1.00 0.00 N ATOM 759 CA THR A 51 31.901 -1.009 -12.440 1.00 0.00 C ATOM 760 C THR A 51 30.712 -0.502 -11.638 1.00 0.00 C ATOM 761 O THR A 51 30.816 0.497 -10.929 1.00 0.00 O ATOM 762 CB THR A 51 32.703 -2.028 -11.634 1.00 0.00 C ATOM 763 OG1 THR A 51 32.670 -1.677 -10.268 1.00 0.00 O ATOM 764 CG2 THR A 51 34.148 -2.040 -12.122 1.00 0.00 C ATOM 0 H THR A 51 33.162 0.598 -12.009 1.00 0.00 H new ATOM 0 HA THR A 51 31.524 -1.492 -13.341 1.00 0.00 H new ATOM 0 HB THR A 51 32.268 -3.019 -11.765 1.00 0.00 H new ATOM 0 HG1 THR A 51 32.002 -2.225 -9.806 1.00 0.00 H new ATOM 0 HG21 THR A 51 34.720 -2.767 -11.546 1.00 0.00 H new ATOM 0 HG22 THR A 51 34.173 -2.311 -13.177 1.00 0.00 H new ATOM 0 HG23 THR A 51 34.584 -1.050 -11.991 1.00 0.00 H new ATOM 772 N LEU A 52 29.577 -1.197 -11.751 1.00 0.00 N ATOM 773 CA LEU A 52 28.374 -0.818 -11.038 1.00 0.00 C ATOM 774 C LEU A 52 27.809 -2.023 -10.299 1.00 0.00 C ATOM 775 O LEU A 52 27.505 -3.044 -10.912 1.00 0.00 O ATOM 776 CB LEU A 52 27.352 -0.263 -12.026 1.00 0.00 C ATOM 777 CG LEU A 52 26.012 -0.075 -11.320 1.00 0.00 C ATOM 778 CD1 LEU A 52 25.306 -1.422 -11.200 1.00 0.00 C ATOM 779 CD2 LEU A 52 26.249 0.502 -9.928 1.00 0.00 C ATOM 0 H LEU A 52 29.475 -2.027 -12.334 1.00 0.00 H new ATOM 0 HA LEU A 52 28.610 -0.046 -10.306 1.00 0.00 H new ATOM 0 HB2 LEU A 52 27.699 0.688 -12.429 1.00 0.00 H new ATOM 0 HB3 LEU A 52 27.238 -0.944 -12.869 1.00 0.00 H new ATOM 0 HG LEU A 52 25.390 0.610 -11.896 1.00 0.00 H new ATOM 0 HD11 LEU A 52 24.349 -1.288 -10.696 1.00 0.00 H new ATOM 0 HD12 LEU A 52 25.137 -1.834 -12.195 1.00 0.00 H new ATOM 0 HD13 LEU A 52 25.927 -2.108 -10.624 1.00 0.00 H new ATOM 0 HD21 LEU A 52 25.293 0.637 -9.422 1.00 0.00 H new ATOM 0 HD22 LEU A 52 26.871 -0.183 -9.351 1.00 0.00 H new ATOM 0 HD23 LEU A 52 26.753 1.465 -10.014 1.00 0.00 H new ATOM 791 N GLU A 53 27.669 -1.902 -8.977 1.00 0.00 N ATOM 792 CA GLU A 53 27.142 -2.980 -8.165 1.00 0.00 C ATOM 793 C GLU A 53 25.908 -2.506 -7.410 1.00 0.00 C ATOM 794 O GLU A 53 25.961 -1.514 -6.686 1.00 0.00 O ATOM 795 CB GLU A 53 28.219 -3.458 -7.195 1.00 0.00 C ATOM 796 CG GLU A 53 27.577 -4.303 -6.098 1.00 0.00 C ATOM 797 CD GLU A 53 27.095 -5.636 -6.651 1.00 0.00 C ATOM 798 OE1 GLU A 53 27.909 -6.294 -7.334 1.00 0.00 O ATOM 799 OE2 GLU A 53 25.921 -5.972 -6.381 1.00 0.00 O ATOM 0 H GLU A 53 27.916 -1.063 -8.453 1.00 0.00 H new ATOM 0 HA GLU A 53 26.852 -3.813 -8.806 1.00 0.00 H new ATOM 0 HB2 GLU A 53 28.969 -4.043 -7.727 1.00 0.00 H new ATOM 0 HB3 GLU A 53 28.734 -2.603 -6.756 1.00 0.00 H new ATOM 0 HG2 GLU A 53 28.297 -4.476 -5.298 1.00 0.00 H new ATOM 0 HG3 GLU A 53 26.738 -3.762 -5.660 1.00 0.00 H new ATOM 806 N THR A 54 24.793 -3.220 -7.581 1.00 0.00 N ATOM 807 CA THR A 54 23.556 -2.869 -6.914 1.00 0.00 C ATOM 808 C THR A 54 22.993 -4.085 -6.192 1.00 0.00 C ATOM 809 O THR A 54 22.901 -5.167 -6.767 1.00 0.00 O ATOM 810 CB THR A 54 22.558 -2.342 -7.942 1.00 0.00 C ATOM 811 OG1 THR A 54 23.080 -2.521 -9.239 1.00 0.00 O ATOM 812 CG2 THR A 54 22.310 -0.857 -7.694 1.00 0.00 C ATOM 0 H THR A 54 24.731 -4.044 -8.178 1.00 0.00 H new ATOM 0 HA THR A 54 23.746 -2.090 -6.176 1.00 0.00 H new ATOM 0 HB THR A 54 21.619 -2.888 -7.850 1.00 0.00 H new ATOM 0 HG1 THR A 54 22.644 -1.897 -9.856 1.00 0.00 H new ATOM 0 HG21 THR A 54 21.598 -0.480 -8.428 1.00 0.00 H new ATOM 0 HG22 THR A 54 21.906 -0.718 -6.691 1.00 0.00 H new ATOM 0 HG23 THR A 54 23.249 -0.311 -7.786 1.00 0.00 H new ATOM 820 N ILE A 55 22.615 -3.903 -4.924 1.00 0.00 N ATOM 821 CA ILE A 55 22.062 -4.978 -4.127 1.00 0.00 C ATOM 822 C ILE A 55 21.466 -4.415 -2.844 1.00 0.00 C ATOM 823 O ILE A 55 21.547 -3.214 -2.595 1.00 0.00 O ATOM 824 CB ILE A 55 23.157 -5.994 -3.814 1.00 0.00 C ATOM 825 CG1 ILE A 55 24.507 -5.285 -3.753 1.00 0.00 C ATOM 826 CG2 ILE A 55 23.190 -7.057 -4.909 1.00 0.00 C ATOM 827 CD1 ILE A 55 24.410 -4.091 -2.807 1.00 0.00 C ATOM 0 H ILE A 55 22.686 -3.012 -4.433 1.00 0.00 H new ATOM 0 HA ILE A 55 21.269 -5.478 -4.684 1.00 0.00 H new ATOM 0 HB ILE A 55 22.952 -6.466 -2.853 1.00 0.00 H new ATOM 0 HG12 ILE A 55 25.277 -5.975 -3.408 1.00 0.00 H new ATOM 0 HG13 ILE A 55 24.800 -4.952 -4.748 1.00 0.00 H new ATOM 0 HG21 ILE A 55 23.972 -7.784 -4.687 1.00 0.00 H new ATOM 0 HG22 ILE A 55 22.226 -7.563 -4.954 1.00 0.00 H new ATOM 0 HG23 ILE A 55 23.396 -6.584 -5.869 1.00 0.00 H new ATOM 0 HD11 ILE A 55 25.373 -3.583 -2.762 1.00 0.00 H new ATOM 0 HD12 ILE A 55 23.651 -3.398 -3.172 1.00 0.00 H new ATOM 0 HD13 ILE A 55 24.136 -4.438 -1.811 1.00 0.00 H new ATOM 839 N CYS A 56 20.865 -5.286 -2.029 1.00 0.00 N ATOM 840 CA CYS A 56 20.260 -4.872 -0.780 1.00 0.00 C ATOM 841 C CYS A 56 21.315 -4.839 0.317 1.00 0.00 C ATOM 842 O CYS A 56 21.525 -5.832 1.011 1.00 0.00 O ATOM 843 CB CYS A 56 19.133 -5.836 -0.417 1.00 0.00 C ATOM 844 SG CYS A 56 17.539 -5.029 -0.130 1.00 0.00 S ATOM 0 H CYS A 56 20.789 -6.285 -2.221 1.00 0.00 H new ATOM 0 HA CYS A 56 19.843 -3.871 -0.887 1.00 0.00 H new ATOM 0 HB2 CYS A 56 19.020 -6.566 -1.219 1.00 0.00 H new ATOM 0 HB3 CYS A 56 19.416 -6.388 0.479 1.00 0.00 H new ATOM 849 N HIS A 57 21.981 -3.693 0.473 1.00 0.00 N ATOM 850 CA HIS A 57 23.010 -3.540 1.481 1.00 0.00 C ATOM 851 C HIS A 57 22.508 -2.642 2.604 1.00 0.00 C ATOM 852 O HIS A 57 21.842 -1.640 2.352 1.00 0.00 O ATOM 853 CB HIS A 57 24.265 -2.954 0.842 1.00 0.00 C ATOM 854 CG HIS A 57 25.147 -2.247 1.834 1.00 0.00 C ATOM 855 ND1 HIS A 57 26.224 -2.793 2.495 1.00 0.00 N ATOM 856 CD2 HIS A 57 25.022 -0.947 2.241 1.00 0.00 C ATOM 857 CE1 HIS A 57 26.735 -1.832 3.286 1.00 0.00 C ATOM 858 NE2 HIS A 57 26.037 -0.689 3.167 1.00 0.00 N ATOM 0 H HIS A 57 21.819 -2.860 -0.092 1.00 0.00 H new ATOM 0 HA HIS A 57 23.254 -4.514 1.905 1.00 0.00 H new ATOM 0 HB2 HIS A 57 24.831 -3.753 0.364 1.00 0.00 H new ATOM 0 HB3 HIS A 57 23.975 -2.255 0.057 1.00 0.00 H new ATOM 0 HD2 HIS A 57 24.273 -0.245 1.906 1.00 0.00 H new ATOM 0 HE1 HIS A 57 27.592 -1.961 3.931 1.00 0.00 H new ATOM 0 HE2 HIS A 57 26.213 0.190 3.654 1.00 0.00 H new ATOM 866 N ASP A 58 22.830 -3.005 3.848 1.00 0.00 N ATOM 867 CA ASP A 58 22.412 -2.234 5.001 1.00 0.00 C ATOM 868 C ASP A 58 23.265 -0.980 5.120 1.00 0.00 C ATOM 869 O ASP A 58 24.490 -1.052 5.047 1.00 0.00 O ATOM 870 CB ASP A 58 22.534 -3.093 6.257 1.00 0.00 C ATOM 871 CG ASP A 58 21.516 -4.224 6.243 1.00 0.00 C ATOM 872 OD1 ASP A 58 20.375 -3.966 6.683 1.00 0.00 O ATOM 873 OD2 ASP A 58 21.898 -5.326 5.793 1.00 0.00 O ATOM 0 H ASP A 58 23.381 -3.833 4.074 1.00 0.00 H new ATOM 0 HA ASP A 58 21.372 -1.931 4.883 1.00 0.00 H new ATOM 0 HB2 ASP A 58 23.541 -3.505 6.324 1.00 0.00 H new ATOM 0 HB3 ASP A 58 22.384 -2.474 7.142 1.00 0.00 H new ATOM 878 N PRO A 59 22.616 0.172 5.303 1.00 0.00 N ATOM 879 CA PRO A 59 23.261 1.460 5.438 1.00 0.00 C ATOM 880 C PRO A 59 23.945 1.548 6.795 1.00 0.00 C ATOM 881 O PRO A 59 24.253 2.640 7.268 1.00 0.00 O ATOM 882 CB PRO A 59 22.129 2.479 5.329 1.00 0.00 C ATOM 883 CG PRO A 59 20.932 1.715 5.891 1.00 0.00 C ATOM 884 CD PRO A 59 21.177 0.293 5.393 1.00 0.00 C ATOM 0 HA PRO A 59 24.028 1.632 4.683 1.00 0.00 H new ATOM 0 HB2 PRO A 59 22.340 3.381 5.904 1.00 0.00 H new ATOM 0 HB3 PRO A 59 21.963 2.790 4.298 1.00 0.00 H new ATOM 0 HG2 PRO A 59 20.896 1.762 6.979 1.00 0.00 H new ATOM 0 HG3 PRO A 59 19.987 2.116 5.523 1.00 0.00 H new ATOM 0 HD2 PRO A 59 20.761 -0.443 6.081 1.00 0.00 H new ATOM 0 HD3 PRO A 59 20.705 0.127 4.424 1.00 0.00 H new ATOM 892 N GLN A 60 24.182 0.394 7.422 1.00 0.00 N ATOM 893 CA GLN A 60 24.825 0.346 8.720 1.00 0.00 C ATOM 894 C GLN A 60 26.296 -0.006 8.555 1.00 0.00 C ATOM 895 O GLN A 60 27.166 0.684 9.083 1.00 0.00 O ATOM 896 CB GLN A 60 24.117 -0.681 9.599 1.00 0.00 C ATOM 897 CG GLN A 60 24.153 -2.045 8.917 1.00 0.00 C ATOM 898 CD GLN A 60 22.966 -2.897 9.344 1.00 0.00 C ATOM 899 OE1 GLN A 60 23.136 -4.046 9.747 1.00 0.00 O ATOM 900 NE2 GLN A 60 21.760 -2.330 9.254 1.00 0.00 N ATOM 0 H GLN A 60 23.934 -0.520 7.043 1.00 0.00 H new ATOM 0 HA GLN A 60 24.759 1.323 9.200 1.00 0.00 H new ATOM 0 HB2 GLN A 60 24.602 -0.737 10.574 1.00 0.00 H new ATOM 0 HB3 GLN A 60 23.085 -0.377 9.773 1.00 0.00 H new ATOM 0 HG2 GLN A 60 24.142 -1.915 7.835 1.00 0.00 H new ATOM 0 HG3 GLN A 60 25.082 -2.557 9.167 1.00 0.00 H new ATOM 0 HE21 GLN A 60 21.671 -1.373 8.913 1.00 0.00 H new ATOM 0 HE22 GLN A 60 20.928 -2.854 9.526 1.00 0.00 H new ATOM 909 N LYS A 61 26.574 -1.084 7.820 1.00 0.00 N ATOM 910 CA LYS A 61 27.936 -1.522 7.590 1.00 0.00 C ATOM 911 C LYS A 61 28.531 -0.765 6.411 1.00 0.00 C ATOM 912 O LYS A 61 27.835 -0.478 5.439 1.00 0.00 O ATOM 913 CB LYS A 61 27.950 -3.025 7.330 1.00 0.00 C ATOM 914 CG LYS A 61 27.004 -3.719 8.307 1.00 0.00 C ATOM 915 CD LYS A 61 27.547 -5.104 8.645 1.00 0.00 C ATOM 916 CE LYS A 61 26.694 -6.166 7.959 1.00 0.00 C ATOM 917 NZ LYS A 61 27.535 -7.136 7.240 1.00 0.00 N ATOM 0 H LYS A 61 25.865 -1.667 7.375 1.00 0.00 H new ATOM 0 HA LYS A 61 28.542 -1.314 8.472 1.00 0.00 H new ATOM 0 HB2 LYS A 61 27.645 -3.230 6.304 1.00 0.00 H new ATOM 0 HB3 LYS A 61 28.961 -3.416 7.446 1.00 0.00 H new ATOM 0 HG2 LYS A 61 26.902 -3.125 9.215 1.00 0.00 H new ATOM 0 HG3 LYS A 61 26.010 -3.804 7.869 1.00 0.00 H new ATOM 0 HD2 LYS A 61 28.584 -5.189 8.320 1.00 0.00 H new ATOM 0 HD3 LYS A 61 27.538 -5.256 9.724 1.00 0.00 H new ATOM 0 HE2 LYS A 61 26.087 -6.685 8.701 1.00 0.00 H new ATOM 0 HE3 LYS A 61 26.005 -5.689 7.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 26.930 -7.848 6.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 28.095 -6.641 6.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 28.175 -7.606 7.912 1.00 0.00 H new ATOM 931 N ARG A 62 29.824 -0.443 6.499 1.00 0.00 N ATOM 932 CA ARG A 62 30.505 0.279 5.443 1.00 0.00 C ATOM 933 C ARG A 62 30.881 -0.682 4.323 1.00 0.00 C ATOM 934 O ARG A 62 31.495 -1.717 4.571 1.00 0.00 O ATOM 935 CB ARG A 62 31.747 0.958 6.012 1.00 0.00 C ATOM 936 CG ARG A 62 32.214 0.206 7.255 1.00 0.00 C ATOM 937 CD ARG A 62 31.275 0.511 8.418 1.00 0.00 C ATOM 938 NE ARG A 62 31.973 1.234 9.481 1.00 0.00 N ATOM 939 CZ ARG A 62 31.374 1.604 10.621 1.00 0.00 C ATOM 940 NH1 ARG A 62 30.083 1.313 10.826 1.00 0.00 N ATOM 941 NH2 ARG A 62 32.067 2.266 11.558 1.00 0.00 N ATOM 0 H ARG A 62 30.415 -0.676 7.297 1.00 0.00 H new ATOM 0 HA ARG A 62 29.845 1.043 5.034 1.00 0.00 H new ATOM 0 HB2 ARG A 62 32.540 0.974 5.265 1.00 0.00 H new ATOM 0 HB3 ARG A 62 31.525 1.995 6.264 1.00 0.00 H new ATOM 0 HG2 ARG A 62 32.231 -0.866 7.059 1.00 0.00 H new ATOM 0 HG3 ARG A 62 33.232 0.500 7.509 1.00 0.00 H new ATOM 0 HD2 ARG A 62 30.432 1.104 8.063 1.00 0.00 H new ATOM 0 HD3 ARG A 62 30.867 -0.419 8.814 1.00 0.00 H new ATOM 0 HE ARG A 62 32.957 1.466 9.349 1.00 0.00 H new ATOM 0 HH11 ARG A 62 29.554 0.809 10.114 1.00 0.00 H new ATOM 0 HH12 ARG A 62 29.628 1.595 11.694 1.00 0.00 H new ATOM 0 HH21 ARG A 62 33.050 2.488 11.403 1.00 0.00 H new ATOM 0 HH22 ARG A 62 31.611 2.548 12.426 1.00 0.00 H new ATOM 955 N LEU A 63 30.512 -0.334 3.088 1.00 0.00 N ATOM 956 CA LEU A 63 30.811 -1.164 1.939 1.00 0.00 C ATOM 957 C LEU A 63 32.085 -0.672 1.264 1.00 0.00 C ATOM 958 O LEU A 63 32.254 0.526 1.049 1.00 0.00 O ATOM 959 CB LEU A 63 29.637 -1.128 0.965 1.00 0.00 C ATOM 960 CG LEU A 63 30.015 -1.864 -0.316 1.00 0.00 C ATOM 961 CD1 LEU A 63 29.370 -3.247 -0.318 1.00 0.00 C ATOM 962 CD2 LEU A 63 29.522 -1.071 -1.523 1.00 0.00 C ATOM 0 H LEU A 63 30.004 0.522 2.867 1.00 0.00 H new ATOM 0 HA LEU A 63 30.967 -2.193 2.262 1.00 0.00 H new ATOM 0 HB2 LEU A 63 28.761 -1.592 1.418 1.00 0.00 H new ATOM 0 HB3 LEU A 63 29.370 -0.096 0.739 1.00 0.00 H new ATOM 0 HG LEU A 63 31.099 -1.969 -0.368 1.00 0.00 H new ATOM 0 HD11 LEU A 63 29.640 -3.773 -1.234 1.00 0.00 H new ATOM 0 HD12 LEU A 63 29.722 -3.814 0.544 1.00 0.00 H new ATOM 0 HD13 LEU A 63 28.286 -3.143 -0.266 1.00 0.00 H new ATOM 0 HD21 LEU A 63 29.792 -1.597 -2.439 1.00 0.00 H new ATOM 0 HD22 LEU A 63 28.438 -0.966 -1.471 1.00 0.00 H new ATOM 0 HD23 LEU A 63 29.983 -0.083 -1.522 1.00 0.00 H new ATOM 974 N TYR A 64 32.981 -1.601 0.929 1.00 0.00 N ATOM 975 CA TYR A 64 34.233 -1.257 0.284 1.00 0.00 C ATOM 976 C TYR A 64 34.932 -0.157 1.068 1.00 0.00 C ATOM 977 O TYR A 64 35.678 0.638 0.500 1.00 0.00 O ATOM 978 CB TYR A 64 33.958 -0.809 -1.149 1.00 0.00 C ATOM 979 CG TYR A 64 33.156 -1.808 -1.949 1.00 0.00 C ATOM 980 CD1 TYR A 64 33.478 -3.170 -1.894 1.00 0.00 C ATOM 981 CD2 TYR A 64 32.090 -1.372 -2.746 1.00 0.00 C ATOM 982 CE1 TYR A 64 32.735 -4.095 -2.637 1.00 0.00 C ATOM 983 CE2 TYR A 64 31.347 -2.298 -3.488 1.00 0.00 C ATOM 984 CZ TYR A 64 31.670 -3.659 -3.434 1.00 0.00 C ATOM 985 OH TYR A 64 30.946 -4.561 -4.158 1.00 0.00 O ATOM 0 H TYR A 64 32.855 -2.599 1.098 1.00 0.00 H new ATOM 0 HA TYR A 64 34.887 -2.129 0.260 1.00 0.00 H new ATOM 0 HB2 TYR A 64 33.424 0.141 -1.128 1.00 0.00 H new ATOM 0 HB3 TYR A 64 34.907 -0.630 -1.654 1.00 0.00 H new ATOM 0 HD1 TYR A 64 34.299 -3.506 -1.279 1.00 0.00 H new ATOM 0 HD2 TYR A 64 31.841 -0.322 -2.788 1.00 0.00 H new ATOM 0 HE1 TYR A 64 32.984 -5.145 -2.595 1.00 0.00 H new ATOM 0 HE2 TYR A 64 30.525 -1.962 -4.102 1.00 0.00 H new ATOM 0 HH TYR A 64 30.942 -5.425 -3.695 1.00 0.00 H new ATOM 995 N GLY A 65 34.692 -0.113 2.381 1.00 0.00 N ATOM 996 CA GLY A 65 35.301 0.890 3.232 1.00 0.00 C ATOM 997 C GLY A 65 34.532 2.199 3.139 1.00 0.00 C ATOM 998 O GLY A 65 34.999 3.234 3.609 1.00 0.00 O ATOM 0 H GLY A 65 34.078 -0.765 2.870 1.00 0.00 H new ATOM 0 HA2 GLY A 65 35.315 0.541 4.265 1.00 0.00 H new ATOM 0 HA3 GLY A 65 36.338 1.048 2.935 1.00 0.00 H new ATOM 1002 N HIS A 66 33.345 2.151 2.528 1.00 0.00 N ATOM 1003 CA HIS A 66 32.520 3.333 2.374 1.00 0.00 C ATOM 1004 C HIS A 66 31.232 3.174 3.169 1.00 0.00 C ATOM 1005 O HIS A 66 30.586 2.130 3.109 1.00 0.00 O ATOM 1006 CB HIS A 66 32.218 3.552 0.894 1.00 0.00 C ATOM 1007 CG HIS A 66 33.431 3.378 0.022 1.00 0.00 C ATOM 1008 ND1 HIS A 66 34.742 3.390 0.444 1.00 0.00 N ATOM 1009 CD2 HIS A 66 33.431 3.180 -1.331 1.00 0.00 C ATOM 1010 CE1 HIS A 66 35.513 3.201 -0.642 1.00 0.00 C ATOM 1011 NE2 HIS A 66 34.761 3.068 -1.749 1.00 0.00 N ATOM 0 H HIS A 66 32.941 1.301 2.134 1.00 0.00 H new ATOM 0 HA HIS A 66 33.053 4.204 2.756 1.00 0.00 H new ATOM 0 HB2 HIS A 66 31.445 2.852 0.578 1.00 0.00 H new ATOM 0 HB3 HIS A 66 31.816 4.555 0.754 1.00 0.00 H new ATOM 0 HD1 HIS A 66 35.068 3.518 1.402 1.00 0.00 H new ATOM 0 HD2 HIS A 66 32.558 3.121 -1.965 1.00 0.00 H new ATOM 0 HE1 HIS A 66 36.592 3.161 -0.627 1.00 0.00 H new ATOM 1019 N MET A 67 30.858 4.216 3.915 1.00 0.00 N ATOM 1020 CA MET A 67 29.652 4.185 4.717 1.00 0.00 C ATOM 1021 C MET A 67 28.720 5.313 4.295 1.00 0.00 C ATOM 1022 O MET A 67 29.132 6.468 4.221 1.00 0.00 O ATOM 1023 CB MET A 67 30.020 4.313 6.193 1.00 0.00 C ATOM 1024 CG MET A 67 29.134 3.388 7.021 1.00 0.00 C ATOM 1025 SD MET A 67 27.364 3.738 6.870 1.00 0.00 S ATOM 1026 CE MET A 67 26.886 2.355 5.805 1.00 0.00 C ATOM 0 H MET A 67 31.381 5.090 3.974 1.00 0.00 H new ATOM 0 HA MET A 67 29.135 3.238 4.565 1.00 0.00 H new ATOM 0 HB2 MET A 67 31.069 4.057 6.341 1.00 0.00 H new ATOM 0 HB3 MET A 67 29.894 5.345 6.522 1.00 0.00 H new ATOM 0 HG2 MET A 67 29.318 2.357 6.717 1.00 0.00 H new ATOM 0 HG3 MET A 67 29.422 3.468 8.069 1.00 0.00 H new ATOM 0 HE1 MET A 67 25.905 2.551 5.372 1.00 0.00 H new ATOM 0 HE2 MET A 67 27.619 2.241 5.006 1.00 0.00 H new ATOM 0 HE3 MET A 67 26.846 1.439 6.394 1.00 0.00 H new ATOM 1036 N LEU A 68 27.458 4.972 4.020 1.00 0.00 N ATOM 1037 CA LEU A 68 26.474 5.953 3.609 1.00 0.00 C ATOM 1038 C LEU A 68 25.405 6.095 4.683 1.00 0.00 C ATOM 1039 O LEU A 68 25.165 5.165 5.449 1.00 0.00 O ATOM 1040 CB LEU A 68 25.854 5.525 2.282 1.00 0.00 C ATOM 1041 CG LEU A 68 26.037 4.022 2.097 1.00 0.00 C ATOM 1042 CD1 LEU A 68 25.090 3.275 3.033 1.00 0.00 C ATOM 1043 CD2 LEU A 68 25.727 3.646 0.652 1.00 0.00 C ATOM 0 H LEU A 68 27.102 4.018 4.078 1.00 0.00 H new ATOM 0 HA LEU A 68 26.955 6.922 3.475 1.00 0.00 H new ATOM 0 HB2 LEU A 68 24.794 5.778 2.265 1.00 0.00 H new ATOM 0 HB3 LEU A 68 26.323 6.063 1.459 1.00 0.00 H new ATOM 0 HG LEU A 68 27.067 3.750 2.330 1.00 0.00 H new ATOM 0 HD11 LEU A 68 25.220 2.201 2.901 1.00 0.00 H new ATOM 0 HD12 LEU A 68 25.312 3.543 4.066 1.00 0.00 H new ATOM 0 HD13 LEU A 68 24.060 3.547 2.801 1.00 0.00 H new ATOM 0 HD21 LEU A 68 25.858 2.572 0.519 1.00 0.00 H new ATOM 0 HD22 LEU A 68 24.698 3.918 0.418 1.00 0.00 H new ATOM 0 HD23 LEU A 68 26.404 4.179 -0.016 1.00 0.00 H new ATOM 1055 N ASP A 69 24.762 7.264 4.737 1.00 0.00 N ATOM 1056 CA ASP A 69 23.724 7.521 5.715 1.00 0.00 C ATOM 1057 C ASP A 69 22.718 8.511 5.148 1.00 0.00 C ATOM 1058 O ASP A 69 22.763 9.697 5.469 1.00 0.00 O ATOM 1059 CB ASP A 69 24.356 8.063 6.995 1.00 0.00 C ATOM 1060 CG ASP A 69 23.598 7.578 8.222 1.00 0.00 C ATOM 1061 OD1 ASP A 69 23.927 6.464 8.688 1.00 0.00 O ATOM 1062 OD2 ASP A 69 22.705 8.328 8.671 1.00 0.00 O ATOM 0 H ASP A 69 24.949 8.045 4.108 1.00 0.00 H new ATOM 0 HA ASP A 69 23.200 6.595 5.949 1.00 0.00 H new ATOM 0 HB2 ASP A 69 25.396 7.743 7.055 1.00 0.00 H new ATOM 0 HB3 ASP A 69 24.358 9.153 6.971 1.00 0.00 H new ATOM 1067 N ASP A 70 21.807 8.022 4.303 1.00 0.00 N ATOM 1068 CA ASP A 70 20.796 8.866 3.697 1.00 0.00 C ATOM 1069 C ASP A 70 19.921 8.035 2.771 1.00 0.00 C ATOM 1070 O ASP A 70 19.861 8.296 1.571 1.00 0.00 O ATOM 1071 CB ASP A 70 21.473 9.998 2.931 1.00 0.00 C ATOM 1072 CG ASP A 70 20.701 11.301 3.091 1.00 0.00 C ATOM 1073 OD1 ASP A 70 19.557 11.346 2.592 1.00 0.00 O ATOM 1074 OD2 ASP A 70 21.270 12.225 3.709 1.00 0.00 O ATOM 0 H ASP A 70 21.756 7.041 4.028 1.00 0.00 H new ATOM 0 HA ASP A 70 20.163 9.298 4.472 1.00 0.00 H new ATOM 0 HB2 ASP A 70 22.493 10.128 3.293 1.00 0.00 H new ATOM 0 HB3 ASP A 70 21.540 9.738 1.875 1.00 0.00 H new ATOM 1079 N SER A 71 19.240 7.031 3.329 1.00 0.00 N ATOM 1080 CA SER A 71 18.373 6.170 2.550 1.00 0.00 C ATOM 1081 C SER A 71 16.920 6.572 2.763 1.00 0.00 C ATOM 1082 O SER A 71 16.012 5.932 2.235 1.00 0.00 O ATOM 1083 CB SER A 71 18.598 4.717 2.961 1.00 0.00 C ATOM 1084 OG SER A 71 18.573 4.618 4.366 1.00 0.00 O ATOM 0 H SER A 71 19.279 6.801 4.322 1.00 0.00 H new ATOM 0 HA SER A 71 18.606 6.275 1.490 1.00 0.00 H new ATOM 0 HB2 SER A 71 17.826 4.081 2.527 1.00 0.00 H new ATOM 0 HB3 SER A 71 19.555 4.363 2.578 1.00 0.00 H new ATOM 0 HG SER A 71 18.716 3.685 4.631 1.00 0.00 H new ATOM 1090 N SER A 72 16.702 7.637 3.537 1.00 0.00 N ATOM 1091 CA SER A 72 15.364 8.119 3.813 1.00 0.00 C ATOM 1092 C SER A 72 14.984 9.193 2.803 1.00 0.00 C ATOM 1093 O SER A 72 13.857 9.685 2.811 1.00 0.00 O ATOM 1094 CB SER A 72 15.305 8.669 5.236 1.00 0.00 C ATOM 1095 OG SER A 72 14.174 9.499 5.371 1.00 0.00 O ATOM 0 H SER A 72 17.444 8.178 3.981 1.00 0.00 H new ATOM 0 HA SER A 72 14.652 7.298 3.725 1.00 0.00 H new ATOM 0 HB2 SER A 72 15.256 7.849 5.953 1.00 0.00 H new ATOM 0 HB3 SER A 72 16.212 9.232 5.458 1.00 0.00 H new ATOM 0 HG SER A 72 13.618 9.427 4.567 1.00 0.00 H new ATOM 1101 N SER A 73 15.927 9.554 1.931 1.00 0.00 N ATOM 1102 CA SER A 73 15.687 10.563 0.919 1.00 0.00 C ATOM 1103 C SER A 73 15.236 9.901 -0.375 1.00 0.00 C ATOM 1104 O SER A 73 15.619 8.769 -0.663 1.00 0.00 O ATOM 1105 CB SER A 73 16.960 11.373 0.697 1.00 0.00 C ATOM 1106 OG SER A 73 16.681 12.744 0.876 1.00 0.00 O ATOM 0 H SER A 73 16.866 9.156 1.912 1.00 0.00 H new ATOM 0 HA SER A 73 14.897 11.236 1.253 1.00 0.00 H new ATOM 0 HB2 SER A 73 17.733 11.054 1.396 1.00 0.00 H new ATOM 0 HB3 SER A 73 17.345 11.197 -0.307 1.00 0.00 H new ATOM 0 HG SER A 73 17.499 13.265 0.735 1.00 0.00 H new ATOM 1112 N GLU A 74 14.419 10.611 -1.157 1.00 0.00 N ATOM 1113 CA GLU A 74 13.925 10.089 -2.415 1.00 0.00 C ATOM 1114 C GLU A 74 15.065 9.987 -3.419 1.00 0.00 C ATOM 1115 O GLU A 74 15.138 9.028 -4.183 1.00 0.00 O ATOM 1116 CB GLU A 74 12.819 11.000 -2.942 1.00 0.00 C ATOM 1117 CG GLU A 74 11.470 10.306 -2.788 1.00 0.00 C ATOM 1118 CD GLU A 74 10.326 11.289 -2.988 1.00 0.00 C ATOM 1119 OE1 GLU A 74 10.123 11.694 -4.153 1.00 0.00 O ATOM 1120 OE2 GLU A 74 9.677 11.618 -1.972 1.00 0.00 O ATOM 0 H GLU A 74 14.090 11.550 -0.933 1.00 0.00 H new ATOM 0 HA GLU A 74 13.515 9.091 -2.262 1.00 0.00 H new ATOM 0 HB2 GLU A 74 12.819 11.943 -2.395 1.00 0.00 H new ATOM 0 HB3 GLU A 74 12.999 11.239 -3.990 1.00 0.00 H new ATOM 0 HG2 GLU A 74 11.389 9.496 -3.512 1.00 0.00 H new ATOM 0 HG3 GLU A 74 11.399 9.856 -1.798 1.00 0.00 H new ATOM 1127 N GLN A 75 15.955 10.982 -3.414 1.00 0.00 N ATOM 1128 CA GLN A 75 17.084 11.000 -4.321 1.00 0.00 C ATOM 1129 C GLN A 75 18.352 10.604 -3.577 1.00 0.00 C ATOM 1130 O GLN A 75 18.897 11.396 -2.810 1.00 0.00 O ATOM 1131 CB GLN A 75 17.225 12.393 -4.927 1.00 0.00 C ATOM 1132 CG GLN A 75 16.006 12.698 -5.793 1.00 0.00 C ATOM 1133 CD GLN A 75 16.123 14.075 -6.429 1.00 0.00 C ATOM 1134 OE1 GLN A 75 15.662 15.064 -5.863 1.00 0.00 O ATOM 1135 NE2 GLN A 75 16.741 14.137 -7.611 1.00 0.00 N ATOM 0 H GLN A 75 15.907 11.784 -2.786 1.00 0.00 H new ATOM 0 HA GLN A 75 16.921 10.282 -5.125 1.00 0.00 H new ATOM 0 HB2 GLN A 75 17.318 13.137 -4.136 1.00 0.00 H new ATOM 0 HB3 GLN A 75 18.134 12.450 -5.527 1.00 0.00 H new ATOM 0 HG2 GLN A 75 15.909 11.941 -6.571 1.00 0.00 H new ATOM 0 HG3 GLN A 75 15.102 12.649 -5.186 1.00 0.00 H new ATOM 0 HE21 GLN A 75 17.107 13.287 -8.040 1.00 0.00 H new ATOM 0 HE22 GLN A 75 16.847 15.034 -8.085 1.00 0.00 H new ATOM 1144 N CYS A 76 18.821 9.376 -3.805 1.00 0.00 N ATOM 1145 CA CYS A 76 20.019 8.881 -3.158 1.00 0.00 C ATOM 1146 C CYS A 76 21.250 9.428 -3.867 1.00 0.00 C ATOM 1147 O CYS A 76 21.380 9.294 -5.082 1.00 0.00 O ATOM 1148 CB CYS A 76 20.016 7.355 -3.179 1.00 0.00 C ATOM 1149 SG CYS A 76 21.276 6.602 -2.121 1.00 0.00 S ATOM 0 H CYS A 76 18.380 8.709 -4.438 1.00 0.00 H new ATOM 0 HA CYS A 76 20.042 9.216 -2.121 1.00 0.00 H new ATOM 0 HB2 CYS A 76 19.034 6.999 -2.867 1.00 0.00 H new ATOM 0 HB3 CYS A 76 20.167 7.016 -4.204 1.00 0.00 H new ATOM 1154 N VAL A 77 22.155 10.046 -3.105 1.00 0.00 N ATOM 1155 CA VAL A 77 23.368 10.609 -3.662 1.00 0.00 C ATOM 1156 C VAL A 77 24.583 9.943 -3.030 1.00 0.00 C ATOM 1157 O VAL A 77 24.914 10.216 -1.878 1.00 0.00 O ATOM 1158 CB VAL A 77 23.388 12.115 -3.416 1.00 0.00 C ATOM 1159 CG1 VAL A 77 23.376 12.387 -1.915 1.00 0.00 C ATOM 1160 CG2 VAL A 77 24.650 12.714 -4.031 1.00 0.00 C ATOM 0 H VAL A 77 22.062 10.165 -2.096 1.00 0.00 H new ATOM 0 HA VAL A 77 23.398 10.429 -4.737 1.00 0.00 H new ATOM 0 HB VAL A 77 22.509 12.569 -3.874 1.00 0.00 H new ATOM 0 HG11 VAL A 77 23.390 13.463 -1.740 1.00 0.00 H new ATOM 0 HG12 VAL A 77 22.475 11.960 -1.475 1.00 0.00 H new ATOM 0 HG13 VAL A 77 24.254 11.933 -1.456 1.00 0.00 H new ATOM 0 HG21 VAL A 77 24.665 13.790 -3.856 1.00 0.00 H new ATOM 0 HG22 VAL A 77 25.529 12.260 -3.573 1.00 0.00 H new ATOM 0 HG23 VAL A 77 24.659 12.521 -5.104 1.00 0.00 H new ATOM 1170 N MET A 78 25.246 9.068 -3.787 1.00 0.00 N ATOM 1171 CA MET A 78 26.417 8.369 -3.296 1.00 0.00 C ATOM 1172 C MET A 78 27.562 9.351 -3.100 1.00 0.00 C ATOM 1173 O MET A 78 27.880 10.127 -3.999 1.00 0.00 O ATOM 1174 CB MET A 78 26.807 7.275 -4.287 1.00 0.00 C ATOM 1175 CG MET A 78 26.899 7.868 -5.690 1.00 0.00 C ATOM 1176 SD MET A 78 27.202 6.643 -6.988 1.00 0.00 S ATOM 1177 CE MET A 78 26.635 5.158 -6.122 1.00 0.00 C ATOM 0 H MET A 78 24.985 8.831 -4.744 1.00 0.00 H new ATOM 0 HA MET A 78 26.193 7.908 -2.334 1.00 0.00 H new ATOM 0 HB2 MET A 78 27.763 6.836 -4.003 1.00 0.00 H new ATOM 0 HB3 MET A 78 26.070 6.472 -4.268 1.00 0.00 H new ATOM 0 HG2 MET A 78 25.971 8.396 -5.912 1.00 0.00 H new ATOM 0 HG3 MET A 78 27.699 8.608 -5.709 1.00 0.00 H new ATOM 0 HE1 MET A 78 26.731 4.294 -6.780 1.00 0.00 H new ATOM 0 HE2 MET A 78 27.241 5.003 -5.230 1.00 0.00 H new ATOM 0 HE3 MET A 78 25.591 5.281 -5.834 1.00 0.00 H new ATOM 1187 N LYS A 79 28.184 9.315 -1.919 1.00 0.00 N ATOM 1188 CA LYS A 79 29.290 10.199 -1.612 1.00 0.00 C ATOM 1189 C LYS A 79 30.596 9.582 -2.091 1.00 0.00 C ATOM 1190 O LYS A 79 30.714 8.362 -2.184 1.00 0.00 O ATOM 1191 CB LYS A 79 29.333 10.455 -0.109 1.00 0.00 C ATOM 1192 CG LYS A 79 30.117 11.734 0.168 1.00 0.00 C ATOM 1193 CD LYS A 79 29.379 12.568 1.212 1.00 0.00 C ATOM 1194 CE LYS A 79 30.086 12.442 2.558 1.00 0.00 C ATOM 1195 NZ LYS A 79 31.243 13.347 2.634 1.00 0.00 N ATOM 0 H LYS A 79 27.933 8.678 -1.163 1.00 0.00 H new ATOM 0 HA LYS A 79 29.152 11.150 -2.127 1.00 0.00 H new ATOM 0 HB2 LYS A 79 28.320 10.544 0.284 1.00 0.00 H new ATOM 0 HB3 LYS A 79 29.800 9.612 0.401 1.00 0.00 H new ATOM 0 HG2 LYS A 79 31.118 11.490 0.524 1.00 0.00 H new ATOM 0 HG3 LYS A 79 30.236 12.306 -0.752 1.00 0.00 H new ATOM 0 HD2 LYS A 79 29.348 13.613 0.902 1.00 0.00 H new ATOM 0 HD3 LYS A 79 28.346 12.230 1.299 1.00 0.00 H new ATOM 0 HE2 LYS A 79 29.387 12.671 3.362 1.00 0.00 H new ATOM 0 HE3 LYS A 79 30.415 11.413 2.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 31.706 13.242 3.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 31.919 13.111 1.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 30.923 14.330 2.517 1.00 0.00 H new ATOM 1209 N GLU A 80 31.582 10.430 -2.395 1.00 0.00 N ATOM 1210 CA GLU A 80 32.872 9.964 -2.861 1.00 0.00 C ATOM 1211 C GLU A 80 33.744 9.577 -1.674 1.00 0.00 C ATOM 1212 O GLU A 80 34.065 10.415 -0.835 1.00 0.00 O ATOM 1213 CB GLU A 80 33.539 11.059 -3.687 1.00 0.00 C ATOM 1214 CG GLU A 80 33.919 12.224 -2.777 1.00 0.00 C ATOM 1215 CD GLU A 80 33.959 13.531 -3.556 1.00 0.00 C ATOM 1216 OE1 GLU A 80 33.112 13.678 -4.462 1.00 0.00 O ATOM 1217 OE2 GLU A 80 34.837 14.360 -3.229 1.00 0.00 O ATOM 0 H GLU A 80 31.502 11.444 -2.323 1.00 0.00 H new ATOM 0 HA GLU A 80 32.738 9.083 -3.489 1.00 0.00 H new ATOM 0 HB2 GLU A 80 34.427 10.666 -4.182 1.00 0.00 H new ATOM 0 HB3 GLU A 80 32.863 11.401 -4.470 1.00 0.00 H new ATOM 0 HG2 GLU A 80 33.200 12.304 -1.962 1.00 0.00 H new ATOM 0 HG3 GLU A 80 34.893 12.035 -2.325 1.00 0.00 H new ATOM 1224 N LYS A 81 34.128 8.300 -1.607 1.00 0.00 N ATOM 1225 CA LYS A 81 34.960 7.809 -0.527 1.00 0.00 C ATOM 1226 C LYS A 81 36.394 7.646 -1.010 1.00 0.00 C ATOM 1227 O LYS A 81 36.639 7.515 -2.208 1.00 0.00 O ATOM 1228 CB LYS A 81 34.405 6.480 -0.023 1.00 0.00 C ATOM 1229 CG LYS A 81 33.445 6.735 1.135 1.00 0.00 C ATOM 1230 CD LYS A 81 32.280 7.593 0.650 1.00 0.00 C ATOM 1231 CE LYS A 81 31.234 6.700 -0.013 1.00 0.00 C ATOM 1232 NZ LYS A 81 31.771 6.073 -1.230 1.00 0.00 N ATOM 0 H LYS A 81 33.870 7.592 -2.295 1.00 0.00 H new ATOM 0 HA LYS A 81 34.955 8.526 0.294 1.00 0.00 H new ATOM 0 HB2 LYS A 81 33.888 5.960 -0.830 1.00 0.00 H new ATOM 0 HB3 LYS A 81 35.220 5.833 0.302 1.00 0.00 H new ATOM 0 HG2 LYS A 81 33.074 5.789 1.529 1.00 0.00 H new ATOM 0 HG3 LYS A 81 33.966 7.238 1.950 1.00 0.00 H new ATOM 0 HD2 LYS A 81 31.837 8.131 1.488 1.00 0.00 H new ATOM 0 HD3 LYS A 81 32.636 8.342 -0.057 1.00 0.00 H new ATOM 0 HE2 LYS A 81 30.913 5.928 0.687 1.00 0.00 H new ATOM 0 HE3 LYS A 81 30.352 7.290 -0.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 31.026 5.512 -1.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 32.101 6.811 -1.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 32.566 5.452 -0.979 1.00 0.00 H new ATOM 1246 N LYS A 82 37.345 7.655 -0.073 1.00 0.00 N ATOM 1247 CA LYS A 82 38.747 7.508 -0.407 1.00 0.00 C ATOM 1248 C LYS A 82 38.961 6.223 -1.194 1.00 0.00 C ATOM 1249 O LYS A 82 38.955 5.134 -0.624 1.00 0.00 O ATOM 1250 CB LYS A 82 39.576 7.502 0.874 1.00 0.00 C ATOM 1251 CG LYS A 82 39.146 6.330 1.752 1.00 0.00 C ATOM 1252 CD LYS A 82 38.863 6.830 3.166 1.00 0.00 C ATOM 1253 CE LYS A 82 38.080 5.768 3.933 1.00 0.00 C ATOM 1254 NZ LYS A 82 37.878 6.172 5.334 1.00 0.00 N ATOM 0 H LYS A 82 37.160 7.763 0.924 1.00 0.00 H new ATOM 0 HA LYS A 82 39.065 8.346 -1.027 1.00 0.00 H new ATOM 0 HB2 LYS A 82 40.636 7.421 0.634 1.00 0.00 H new ATOM 0 HB3 LYS A 82 39.442 8.441 1.411 1.00 0.00 H new ATOM 0 HG2 LYS A 82 38.255 5.858 1.337 1.00 0.00 H new ATOM 0 HG3 LYS A 82 39.928 5.571 1.773 1.00 0.00 H new ATOM 0 HD2 LYS A 82 39.799 7.049 3.680 1.00 0.00 H new ATOM 0 HD3 LYS A 82 38.295 7.759 3.128 1.00 0.00 H new ATOM 0 HE2 LYS A 82 37.114 5.606 3.454 1.00 0.00 H new ATOM 0 HE3 LYS A 82 38.616 4.819 3.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 37.343 5.434 5.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 38.801 6.303 5.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 37.346 7.065 5.364 1.00 0.00 H new ATOM 1268 N ASP A 83 39.151 6.352 -2.509 1.00 0.00 N ATOM 1269 CA ASP A 83 39.364 5.205 -3.367 1.00 0.00 C ATOM 1270 C ASP A 83 40.681 5.359 -4.116 1.00 0.00 C ATOM 1271 O ASP A 83 40.828 6.264 -4.933 1.00 0.00 O ATOM 1272 CB ASP A 83 38.198 5.077 -4.343 1.00 0.00 C ATOM 1273 CG ASP A 83 36.887 4.864 -3.600 1.00 0.00 C ATOM 1274 OD1 ASP A 83 36.827 3.886 -2.824 1.00 0.00 O ATOM 1275 OD2 ASP A 83 35.970 5.684 -3.821 1.00 0.00 O ATOM 0 H ASP A 83 39.160 7.248 -2.996 1.00 0.00 H new ATOM 0 HA ASP A 83 39.416 4.299 -2.764 1.00 0.00 H new ATOM 0 HB2 ASP A 83 38.131 5.976 -4.956 1.00 0.00 H new ATOM 0 HB3 ASP A 83 38.376 4.242 -5.021 1.00 0.00 H new ATOM 1280 N ASP A 84 41.637 4.471 -3.834 1.00 0.00 N ATOM 1281 CA ASP A 84 42.933 4.515 -4.479 1.00 0.00 C ATOM 1282 C ASP A 84 42.923 3.627 -5.716 1.00 0.00 C ATOM 1283 O ASP A 84 42.556 2.457 -5.639 1.00 0.00 O ATOM 1284 CB ASP A 84 44.007 4.059 -3.495 1.00 0.00 C ATOM 1285 CG ASP A 84 45.161 5.051 -3.451 1.00 0.00 C ATOM 1286 OD1 ASP A 84 45.618 5.438 -4.549 1.00 0.00 O ATOM 1287 OD2 ASP A 84 45.565 5.403 -2.322 1.00 0.00 O ATOM 0 H ASP A 84 41.528 3.714 -3.159 1.00 0.00 H new ATOM 0 HA ASP A 84 43.154 5.536 -4.790 1.00 0.00 H new ATOM 0 HB2 ASP A 84 43.574 3.955 -2.500 1.00 0.00 H new ATOM 0 HB3 ASP A 84 44.378 3.076 -3.785 1.00 0.00 H new ATOM 1292 N GLY A 85 43.327 4.187 -6.859 1.00 0.00 N ATOM 1293 CA GLY A 85 43.361 3.440 -8.101 1.00 0.00 C ATOM 1294 C GLY A 85 42.096 3.703 -8.908 1.00 0.00 C ATOM 1295 O GLY A 85 42.012 3.334 -10.077 1.00 0.00 O ATOM 0 H GLY A 85 43.634 5.156 -6.941 1.00 0.00 H new ATOM 0 HA2 GLY A 85 44.238 3.726 -8.682 1.00 0.00 H new ATOM 0 HA3 GLY A 85 43.452 2.374 -7.891 1.00 0.00 H new ATOM 1299 N GLY A 86 41.110 4.346 -8.278 1.00 0.00 N ATOM 1300 CA GLY A 86 39.858 4.653 -8.940 1.00 0.00 C ATOM 1301 C GLY A 86 38.882 5.283 -7.956 1.00 0.00 C ATOM 1302 O GLY A 86 39.196 5.441 -6.778 1.00 0.00 O ATOM 0 H GLY A 86 41.163 4.661 -7.309 1.00 0.00 H new ATOM 0 HA2 GLY A 86 40.036 5.334 -9.773 1.00 0.00 H new ATOM 0 HA3 GLY A 86 39.427 3.743 -9.358 1.00 0.00 H new ATOM 1306 N LEU A 87 37.693 5.643 -8.445 1.00 0.00 N ATOM 1307 CA LEU A 87 36.676 6.253 -7.611 1.00 0.00 C ATOM 1308 C LEU A 87 35.580 5.240 -7.309 1.00 0.00 C ATOM 1309 O LEU A 87 35.196 4.459 -8.176 1.00 0.00 O ATOM 1310 CB LEU A 87 36.102 7.475 -8.321 1.00 0.00 C ATOM 1311 CG LEU A 87 36.740 8.740 -7.753 1.00 0.00 C ATOM 1312 CD1 LEU A 87 36.607 8.738 -6.233 1.00 0.00 C ATOM 1313 CD2 LEU A 87 38.216 8.780 -8.135 1.00 0.00 C ATOM 0 H LEU A 87 37.418 5.518 -9.419 1.00 0.00 H new ATOM 0 HA LEU A 87 37.118 6.572 -6.667 1.00 0.00 H new ATOM 0 HB2 LEU A 87 36.292 7.409 -9.392 1.00 0.00 H new ATOM 0 HB3 LEU A 87 35.020 7.510 -8.190 1.00 0.00 H new ATOM 0 HG LEU A 87 36.236 9.616 -8.160 1.00 0.00 H new ATOM 0 HD11 LEU A 87 37.062 9.641 -5.827 1.00 0.00 H new ATOM 0 HD12 LEU A 87 35.552 8.709 -5.960 1.00 0.00 H new ATOM 0 HD13 LEU A 87 37.111 7.862 -5.825 1.00 0.00 H new ATOM 0 HD21 LEU A 87 38.672 9.683 -7.730 1.00 0.00 H new ATOM 0 HD22 LEU A 87 38.721 7.904 -7.728 1.00 0.00 H new ATOM 0 HD23 LEU A 87 38.311 8.781 -9.221 1.00 0.00 H new ATOM 1325 N MET A 88 35.075 5.257 -6.073 1.00 0.00 N ATOM 1326 CA MET A 88 34.029 4.341 -5.664 1.00 0.00 C ATOM 1327 C MET A 88 32.960 5.091 -4.883 1.00 0.00 C ATOM 1328 O MET A 88 33.235 5.643 -3.819 1.00 0.00 O ATOM 1329 CB MET A 88 34.634 3.225 -4.817 1.00 0.00 C ATOM 1330 CG MET A 88 35.909 2.715 -5.482 1.00 0.00 C ATOM 1331 SD MET A 88 35.945 0.922 -5.722 1.00 0.00 S ATOM 1332 CE MET A 88 35.710 0.395 -4.007 1.00 0.00 C ATOM 0 H MET A 88 35.380 5.900 -5.343 1.00 0.00 H new ATOM 0 HA MET A 88 33.563 3.900 -6.545 1.00 0.00 H new ATOM 0 HB2 MET A 88 34.856 3.594 -3.816 1.00 0.00 H new ATOM 0 HB3 MET A 88 33.919 2.410 -4.705 1.00 0.00 H new ATOM 0 HG2 MET A 88 36.023 3.203 -6.450 1.00 0.00 H new ATOM 0 HG3 MET A 88 36.766 3.008 -4.875 1.00 0.00 H new ATOM 0 HE1 MET A 88 36.051 -0.634 -3.893 1.00 0.00 H new ATOM 0 HE2 MET A 88 36.284 1.043 -3.345 1.00 0.00 H new ATOM 0 HE3 MET A 88 34.653 0.458 -3.749 1.00 0.00 H new ATOM 1342 N PHE A 89 31.736 5.110 -5.414 1.00 0.00 N ATOM 1343 CA PHE A 89 30.633 5.790 -4.765 1.00 0.00 C ATOM 1344 C PHE A 89 29.575 4.778 -4.348 1.00 0.00 C ATOM 1345 O PHE A 89 29.213 3.899 -5.125 1.00 0.00 O ATOM 1346 CB PHE A 89 30.045 6.827 -5.718 1.00 0.00 C ATOM 1347 CG PHE A 89 30.958 8.004 -5.967 1.00 0.00 C ATOM 1348 CD1 PHE A 89 32.247 7.794 -6.472 1.00 0.00 C ATOM 1349 CD2 PHE A 89 30.518 9.303 -5.691 1.00 0.00 C ATOM 1350 CE1 PHE A 89 33.094 8.885 -6.702 1.00 0.00 C ATOM 1351 CE2 PHE A 89 31.365 10.394 -5.920 1.00 0.00 C ATOM 1352 CZ PHE A 89 32.653 10.184 -6.425 1.00 0.00 C ATOM 0 H PHE A 89 31.491 4.658 -6.295 1.00 0.00 H new ATOM 0 HA PHE A 89 30.991 6.299 -3.870 1.00 0.00 H new ATOM 0 HB2 PHE A 89 29.818 6.346 -6.669 1.00 0.00 H new ATOM 0 HB3 PHE A 89 29.101 7.189 -5.310 1.00 0.00 H new ATOM 0 HD1 PHE A 89 32.588 6.791 -6.684 1.00 0.00 H new ATOM 0 HD2 PHE A 89 29.524 9.464 -5.301 1.00 0.00 H new ATOM 0 HE1 PHE A 89 34.088 8.724 -7.093 1.00 0.00 H new ATOM 0 HE2 PHE A 89 31.025 11.397 -5.707 1.00 0.00 H new ATOM 0 HZ PHE A 89 33.307 11.025 -6.601 1.00 0.00 H new ATOM 1362 N MET A 90 29.079 4.906 -3.115 1.00 0.00 N ATOM 1363 CA MET A 90 28.068 4.003 -2.603 1.00 0.00 C ATOM 1364 C MET A 90 26.884 4.798 -2.070 1.00 0.00 C ATOM 1365 O MET A 90 27.064 5.845 -1.451 1.00 0.00 O ATOM 1366 CB MET A 90 28.674 3.135 -1.504 1.00 0.00 C ATOM 1367 CG MET A 90 29.582 3.988 -0.624 1.00 0.00 C ATOM 1368 SD MET A 90 29.239 3.841 1.148 1.00 0.00 S ATOM 1369 CE MET A 90 29.063 5.596 1.555 1.00 0.00 C ATOM 0 H MET A 90 29.368 5.631 -2.458 1.00 0.00 H new ATOM 0 HA MET A 90 27.713 3.357 -3.406 1.00 0.00 H new ATOM 0 HB2 MET A 90 27.883 2.687 -0.902 1.00 0.00 H new ATOM 0 HB3 MET A 90 29.242 2.316 -1.945 1.00 0.00 H new ATOM 0 HG2 MET A 90 30.619 3.706 -0.808 1.00 0.00 H new ATOM 0 HG3 MET A 90 29.479 5.033 -0.918 1.00 0.00 H new ATOM 0 HE1 MET A 90 28.231 5.727 2.246 1.00 0.00 H new ATOM 0 HE2 MET A 90 29.981 5.956 2.020 1.00 0.00 H new ATOM 0 HE3 MET A 90 28.871 6.163 0.644 1.00 0.00 H new ATOM 1379 N CYS A 91 25.672 4.296 -2.312 1.00 0.00 N ATOM 1380 CA CYS A 91 24.465 4.958 -1.858 1.00 0.00 C ATOM 1381 C CYS A 91 23.449 3.920 -1.402 1.00 0.00 C ATOM 1382 O CYS A 91 23.605 2.733 -1.679 1.00 0.00 O ATOM 1383 CB CYS A 91 23.897 5.811 -2.988 1.00 0.00 C ATOM 1384 SG CYS A 91 22.160 5.470 -3.364 1.00 0.00 S ATOM 0 H CYS A 91 25.508 3.429 -2.823 1.00 0.00 H new ATOM 0 HA CYS A 91 24.697 5.607 -1.013 1.00 0.00 H new ATOM 0 HB2 CYS A 91 24.001 6.863 -2.723 1.00 0.00 H new ATOM 0 HB3 CYS A 91 24.492 5.648 -3.887 1.00 0.00 H new ATOM 1389 N SER A 92 22.407 4.370 -0.700 1.00 0.00 N ATOM 1390 CA SER A 92 21.373 3.480 -0.212 1.00 0.00 C ATOM 1391 C SER A 92 20.068 4.245 -0.046 1.00 0.00 C ATOM 1392 O SER A 92 20.076 5.459 0.146 1.00 0.00 O ATOM 1393 CB SER A 92 21.814 2.870 1.116 1.00 0.00 C ATOM 1394 OG SER A 92 22.770 3.709 1.723 1.00 0.00 O ATOM 0 H SER A 92 22.264 5.351 -0.460 1.00 0.00 H new ATOM 0 HA SER A 92 21.211 2.677 -0.931 1.00 0.00 H new ATOM 0 HB2 SER A 92 20.954 2.744 1.774 1.00 0.00 H new ATOM 0 HB3 SER A 92 22.237 1.879 0.951 1.00 0.00 H new ATOM 0 HG SER A 92 22.337 4.253 2.414 1.00 0.00 H new ATOM 1400 N CYS A 93 18.943 3.530 -0.122 1.00 0.00 N ATOM 1401 CA CYS A 93 17.637 4.142 0.020 1.00 0.00 C ATOM 1402 C CYS A 93 16.582 3.062 0.216 1.00 0.00 C ATOM 1403 O CYS A 93 16.626 2.022 -0.437 1.00 0.00 O ATOM 1404 CB CYS A 93 17.330 4.979 -1.218 1.00 0.00 C ATOM 1405 SG CYS A 93 17.522 4.081 -2.779 1.00 0.00 S ATOM 0 H CYS A 93 18.920 2.523 -0.282 1.00 0.00 H new ATOM 0 HA CYS A 93 17.629 4.794 0.893 1.00 0.00 H new ATOM 0 HB2 CYS A 93 16.308 5.351 -1.148 1.00 0.00 H new ATOM 0 HB3 CYS A 93 17.986 5.849 -1.228 1.00 0.00 H new ATOM 1410 N THR A 94 15.630 3.312 1.118 1.00 0.00 N ATOM 1411 CA THR A 94 14.572 2.360 1.392 1.00 0.00 C ATOM 1412 C THR A 94 13.548 2.387 0.267 1.00 0.00 C ATOM 1413 O THR A 94 12.647 1.552 0.221 1.00 0.00 O ATOM 1414 CB THR A 94 13.917 2.700 2.728 1.00 0.00 C ATOM 1415 OG1 THR A 94 13.149 3.876 2.589 1.00 0.00 O ATOM 1416 CG2 THR A 94 14.997 2.921 3.783 1.00 0.00 C ATOM 0 H THR A 94 15.578 4.170 1.668 1.00 0.00 H new ATOM 0 HA THR A 94 14.989 1.355 1.452 1.00 0.00 H new ATOM 0 HB THR A 94 13.271 1.877 3.036 1.00 0.00 H new ATOM 0 HG1 THR A 94 12.727 4.094 3.446 1.00 0.00 H new ATOM 0 HG21 THR A 94 14.529 3.164 4.737 1.00 0.00 H new ATOM 0 HG22 THR A 94 15.591 2.014 3.891 1.00 0.00 H new ATOM 0 HG23 THR A 94 15.643 3.744 3.476 1.00 0.00 H new ATOM 1424 N GLY A 95 13.688 3.352 -0.645 1.00 0.00 N ATOM 1425 CA GLY A 95 12.775 3.481 -1.763 1.00 0.00 C ATOM 1426 C GLY A 95 12.888 2.269 -2.678 1.00 0.00 C ATOM 1427 O GLY A 95 13.693 1.373 -2.433 1.00 0.00 O ATOM 0 H GLY A 95 14.429 4.053 -0.623 1.00 0.00 H new ATOM 0 HA2 GLY A 95 11.752 3.576 -1.398 1.00 0.00 H new ATOM 0 HA3 GLY A 95 12.999 4.390 -2.322 1.00 0.00 H new ATOM 1431 N GLU A 96 12.076 2.244 -3.738 1.00 0.00 N ATOM 1432 CA GLU A 96 12.089 1.145 -4.682 1.00 0.00 C ATOM 1433 C GLU A 96 13.104 1.419 -5.783 1.00 0.00 C ATOM 1434 O GLU A 96 12.990 2.405 -6.508 1.00 0.00 O ATOM 1435 CB GLU A 96 10.692 0.963 -5.268 1.00 0.00 C ATOM 1436 CG GLU A 96 10.225 -0.471 -5.036 1.00 0.00 C ATOM 1437 CD GLU A 96 8.922 -0.498 -4.251 1.00 0.00 C ATOM 1438 OE1 GLU A 96 8.919 0.067 -3.137 1.00 0.00 O ATOM 1439 OE2 GLU A 96 7.953 -1.083 -4.781 1.00 0.00 O ATOM 0 H GLU A 96 11.403 2.979 -3.957 1.00 0.00 H new ATOM 0 HA GLU A 96 12.378 0.227 -4.171 1.00 0.00 H new ATOM 0 HB2 GLU A 96 9.997 1.663 -4.803 1.00 0.00 H new ATOM 0 HB3 GLU A 96 10.702 1.185 -6.335 1.00 0.00 H new ATOM 0 HG2 GLU A 96 10.087 -0.972 -5.994 1.00 0.00 H new ATOM 0 HG3 GLU A 96 10.992 -1.024 -4.494 1.00 0.00 H new ATOM 1446 N GLU A 97 14.101 0.539 -5.908 1.00 0.00 N ATOM 1447 CA GLU A 97 15.128 0.688 -6.918 1.00 0.00 C ATOM 1448 C GLU A 97 15.681 2.106 -6.890 1.00 0.00 C ATOM 1449 O GLU A 97 16.426 2.504 -7.785 1.00 0.00 O ATOM 1450 CB GLU A 97 14.541 0.365 -8.290 1.00 0.00 C ATOM 1451 CG GLU A 97 14.062 -1.084 -8.309 1.00 0.00 C ATOM 1452 CD GLU A 97 12.680 -1.191 -8.934 1.00 0.00 C ATOM 1453 OE1 GLU A 97 12.599 -1.010 -10.169 1.00 0.00 O ATOM 1454 OE2 GLU A 97 11.728 -1.452 -8.167 1.00 0.00 O ATOM 0 H GLU A 97 14.211 -0.284 -5.315 1.00 0.00 H new ATOM 0 HA GLU A 97 15.946 -0.003 -6.713 1.00 0.00 H new ATOM 0 HB2 GLU A 97 13.711 1.037 -8.510 1.00 0.00 H new ATOM 0 HB3 GLU A 97 15.292 0.522 -9.065 1.00 0.00 H new ATOM 0 HG2 GLU A 97 14.768 -1.697 -8.870 1.00 0.00 H new ATOM 0 HG3 GLU A 97 14.037 -1.476 -7.292 1.00 0.00 H new ATOM 1461 N CYS A 98 15.316 2.869 -5.857 1.00 0.00 N ATOM 1462 CA CYS A 98 15.775 4.236 -5.715 1.00 0.00 C ATOM 1463 C CYS A 98 17.297 4.274 -5.748 1.00 0.00 C ATOM 1464 O CYS A 98 17.886 5.276 -6.146 1.00 0.00 O ATOM 1465 CB CYS A 98 15.247 4.816 -4.406 1.00 0.00 C ATOM 1466 SG CYS A 98 15.448 3.717 -2.982 1.00 0.00 S ATOM 0 H CYS A 98 14.700 2.553 -5.108 1.00 0.00 H new ATOM 0 HA CYS A 98 15.398 4.839 -6.541 1.00 0.00 H new ATOM 0 HB2 CYS A 98 15.761 5.755 -4.203 1.00 0.00 H new ATOM 0 HB3 CYS A 98 14.189 5.051 -4.525 1.00 0.00 H new ATOM 1471 N ASN A 99 17.931 3.178 -5.327 1.00 0.00 N ATOM 1472 CA ASN A 99 19.377 3.092 -5.311 1.00 0.00 C ATOM 1473 C ASN A 99 19.905 2.957 -6.732 1.00 0.00 C ATOM 1474 O ASN A 99 20.981 3.460 -7.050 1.00 0.00 O ATOM 1475 CB ASN A 99 19.806 1.900 -4.460 1.00 0.00 C ATOM 1476 CG ASN A 99 19.635 0.596 -5.227 1.00 0.00 C ATOM 1477 OD1 ASN A 99 18.687 0.446 -5.995 1.00 0.00 O ATOM 1478 ND2 ASN A 99 20.558 -0.346 -5.019 1.00 0.00 N ATOM 0 H ASN A 99 17.456 2.339 -4.993 1.00 0.00 H new ATOM 0 HA ASN A 99 19.792 4.001 -4.877 1.00 0.00 H new ATOM 0 HB2 ASN A 99 20.848 2.017 -4.162 1.00 0.00 H new ATOM 0 HB3 ASN A 99 19.214 1.869 -3.545 1.00 0.00 H new ATOM 0 HD21 ASN A 99 20.495 -1.239 -5.508 1.00 0.00 H new ATOM 0 HD22 ASN A 99 21.326 -0.173 -4.371 1.00 0.00 H new ATOM 1485 N ASP A 100 19.143 2.275 -7.589 1.00 0.00 N ATOM 1486 CA ASP A 100 19.534 2.077 -8.970 1.00 0.00 C ATOM 1487 C ASP A 100 20.013 3.394 -9.564 1.00 0.00 C ATOM 1488 O ASP A 100 20.945 3.413 -10.366 1.00 0.00 O ATOM 1489 CB ASP A 100 18.351 1.525 -9.760 1.00 0.00 C ATOM 1490 CG ASP A 100 17.713 2.612 -10.614 1.00 0.00 C ATOM 1491 OD1 ASP A 100 18.365 3.014 -11.601 1.00 0.00 O ATOM 1492 OD2 ASP A 100 16.586 3.021 -10.262 1.00 0.00 O ATOM 0 H ASP A 100 18.249 1.852 -7.341 1.00 0.00 H new ATOM 0 HA ASP A 100 20.353 1.359 -9.021 1.00 0.00 H new ATOM 0 HB2 ASP A 100 18.684 0.706 -10.397 1.00 0.00 H new ATOM 0 HB3 ASP A 100 17.610 1.114 -9.074 1.00 0.00 H new ATOM 1497 N VAL A 101 19.373 4.497 -9.168 1.00 0.00 N ATOM 1498 CA VAL A 101 19.735 5.810 -9.662 1.00 0.00 C ATOM 1499 C VAL A 101 20.801 6.422 -8.764 1.00 0.00 C ATOM 1500 O VAL A 101 20.495 6.904 -7.675 1.00 0.00 O ATOM 1501 CB VAL A 101 18.493 6.695 -9.709 1.00 0.00 C ATOM 1502 CG1 VAL A 101 18.565 7.607 -10.931 1.00 0.00 C ATOM 1503 CG2 VAL A 101 17.248 5.818 -9.802 1.00 0.00 C ATOM 0 H VAL A 101 18.599 4.497 -8.503 1.00 0.00 H new ATOM 0 HA VAL A 101 20.142 5.725 -10.670 1.00 0.00 H new ATOM 0 HB VAL A 101 18.444 7.302 -8.805 1.00 0.00 H new ATOM 0 HG11 VAL A 101 17.678 8.240 -10.966 1.00 0.00 H new ATOM 0 HG12 VAL A 101 19.455 8.233 -10.866 1.00 0.00 H new ATOM 0 HG13 VAL A 101 18.613 7.000 -11.835 1.00 0.00 H new ATOM 0 HG21 VAL A 101 16.360 6.449 -9.836 1.00 0.00 H new ATOM 0 HG22 VAL A 101 17.297 5.212 -10.707 1.00 0.00 H new ATOM 0 HG23 VAL A 101 17.197 5.166 -8.930 1.00 0.00 H new ATOM 1513 N LEU A 102 22.054 6.403 -9.223 1.00 0.00 N ATOM 1514 CA LEU A 102 23.156 6.955 -8.461 1.00 0.00 C ATOM 1515 C LEU A 102 23.351 8.420 -8.822 1.00 0.00 C ATOM 1516 O LEU A 102 23.626 8.747 -9.974 1.00 0.00 O ATOM 1517 CB LEU A 102 24.423 6.155 -8.748 1.00 0.00 C ATOM 1518 CG LEU A 102 24.256 5.388 -10.056 1.00 0.00 C ATOM 1519 CD1 LEU A 102 25.615 5.228 -10.731 1.00 0.00 C ATOM 1520 CD2 LEU A 102 23.666 4.011 -9.767 1.00 0.00 C ATOM 0 H LEU A 102 22.323 6.007 -10.124 1.00 0.00 H new ATOM 0 HA LEU A 102 22.934 6.890 -7.396 1.00 0.00 H new ATOM 0 HB2 LEU A 102 25.281 6.824 -8.814 1.00 0.00 H new ATOM 0 HB3 LEU A 102 24.621 5.462 -7.930 1.00 0.00 H new ATOM 0 HG LEU A 102 23.586 5.939 -10.716 1.00 0.00 H new ATOM 0 HD11 LEU A 102 25.495 4.680 -11.665 1.00 0.00 H new ATOM 0 HD12 LEU A 102 26.036 6.212 -10.939 1.00 0.00 H new ATOM 0 HD13 LEU A 102 26.286 4.678 -10.072 1.00 0.00 H new ATOM 0 HD21 LEU A 102 23.547 3.463 -10.702 1.00 0.00 H new ATOM 0 HD22 LEU A 102 24.335 3.460 -9.106 1.00 0.00 H new ATOM 0 HD23 LEU A 102 22.694 4.125 -9.287 1.00 0.00 H new ATOM 1532 N ILE A 103 23.207 9.304 -7.831 1.00 0.00 N ATOM 1533 CA ILE A 103 23.369 10.728 -8.046 1.00 0.00 C ATOM 1534 C ILE A 103 24.776 11.153 -7.648 1.00 0.00 C ATOM 1535 O ILE A 103 25.248 10.810 -6.565 1.00 0.00 O ATOM 1536 CB ILE A 103 22.324 11.486 -7.231 1.00 0.00 C ATOM 1537 CG1 ILE A 103 21.014 11.542 -8.010 1.00 0.00 C ATOM 1538 CG2 ILE A 103 22.820 12.904 -6.963 1.00 0.00 C ATOM 1539 CD1 ILE A 103 19.878 11.027 -7.133 1.00 0.00 C ATOM 0 H ILE A 103 22.977 9.048 -6.871 1.00 0.00 H new ATOM 0 HA ILE A 103 23.226 10.960 -9.101 1.00 0.00 H new ATOM 0 HB ILE A 103 22.160 10.974 -6.283 1.00 0.00 H new ATOM 0 HG12 ILE A 103 20.809 12.565 -8.325 1.00 0.00 H new ATOM 0 HG13 ILE A 103 21.091 10.939 -8.915 1.00 0.00 H new ATOM 0 HG21 ILE A 103 22.075 13.446 -6.381 1.00 0.00 H new ATOM 0 HG22 ILE A 103 23.756 12.863 -6.406 1.00 0.00 H new ATOM 0 HG23 ILE A 103 22.984 13.417 -7.911 1.00 0.00 H new ATOM 0 HD11 ILE A 103 18.942 11.067 -7.690 1.00 0.00 H new ATOM 0 HD12 ILE A 103 20.082 9.997 -6.840 1.00 0.00 H new ATOM 0 HD13 ILE A 103 19.797 11.648 -6.241 1.00 0.00 H new ATOM 1551 N PHE A 104 25.446 11.901 -8.526 1.00 0.00 N ATOM 1552 CA PHE A 104 26.794 12.366 -8.261 1.00 0.00 C ATOM 1553 C PHE A 104 26.820 13.888 -8.245 1.00 0.00 C ATOM 1554 O PHE A 104 26.576 14.526 -9.267 1.00 0.00 O ATOM 1555 CB PHE A 104 27.739 11.818 -9.327 1.00 0.00 C ATOM 1556 CG PHE A 104 27.675 10.317 -9.475 1.00 0.00 C ATOM 1557 CD1 PHE A 104 26.515 9.711 -9.971 1.00 0.00 C ATOM 1558 CD2 PHE A 104 28.778 9.531 -9.120 1.00 0.00 C ATOM 1559 CE1 PHE A 104 26.456 8.319 -10.110 1.00 0.00 C ATOM 1560 CE2 PHE A 104 28.720 8.140 -9.259 1.00 0.00 C ATOM 1561 CZ PHE A 104 27.559 7.533 -9.754 1.00 0.00 C ATOM 0 H PHE A 104 25.069 12.195 -9.427 1.00 0.00 H new ATOM 0 HA PHE A 104 27.123 12.007 -7.286 1.00 0.00 H new ATOM 0 HB2 PHE A 104 27.500 12.280 -10.285 1.00 0.00 H new ATOM 0 HB3 PHE A 104 28.760 12.107 -9.079 1.00 0.00 H new ATOM 0 HD1 PHE A 104 25.665 10.317 -10.247 1.00 0.00 H new ATOM 0 HD2 PHE A 104 29.674 9.999 -8.739 1.00 0.00 H new ATOM 0 HE1 PHE A 104 25.560 7.852 -10.492 1.00 0.00 H new ATOM 0 HE2 PHE A 104 29.571 7.534 -8.984 1.00 0.00 H new ATOM 0 HZ PHE A 104 27.514 6.459 -9.861 1.00 0.00 H new ATOM 1571 N SER A 105 27.120 14.468 -7.082 1.00 0.00 N ATOM 1572 CA SER A 105 27.178 15.910 -6.939 1.00 0.00 C ATOM 1573 C SER A 105 28.424 16.301 -6.157 1.00 0.00 C ATOM 1574 O SER A 105 28.844 15.584 -5.253 1.00 0.00 O ATOM 1575 CB SER A 105 25.919 16.402 -6.233 1.00 0.00 C ATOM 1576 OG SER A 105 26.173 17.656 -5.641 1.00 0.00 O ATOM 0 H SER A 105 27.326 13.952 -6.226 1.00 0.00 H new ATOM 0 HA SER A 105 27.231 16.375 -7.923 1.00 0.00 H new ATOM 0 HB2 SER A 105 25.098 16.484 -6.945 1.00 0.00 H new ATOM 0 HB3 SER A 105 25.611 15.684 -5.473 1.00 0.00 H new ATOM 0 HG SER A 105 25.364 17.974 -5.188 1.00 0.00 H new ATOM 1582 N ALA A 106 29.014 17.446 -6.509 1.00 0.00 N ATOM 1583 CA ALA A 106 30.207 17.929 -5.841 1.00 0.00 C ATOM 1584 C ALA A 106 29.859 18.381 -4.431 1.00 0.00 C ATOM 1585 O ALA A 106 29.947 19.567 -4.118 1.00 0.00 O ATOM 1586 CB ALA A 106 30.810 19.076 -6.645 1.00 0.00 C ATOM 0 H ALA A 106 28.677 18.052 -7.257 1.00 0.00 H new ATOM 0 HA ALA A 106 30.942 17.127 -5.773 1.00 0.00 H new ATOM 0 HB1 ALA A 106 31.707 19.440 -6.144 1.00 0.00 H new ATOM 0 HB2 ALA A 106 31.070 18.723 -7.643 1.00 0.00 H new ATOM 0 HB3 ALA A 106 30.085 19.886 -6.724 1.00 0.00 H new