USER MOD reduce.3.24.130724 H: found=0, std=0, add=713, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 714 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 90 ASN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Set 1.2: A 93 MET CE :methyl -113:sc= 0 (180deg=-1.31) USER MOD Single : A 14 LYS NZ :NH3+ -169:sc= 0.521 (180deg=0.461) USER MOD Single : A 21 SER OG : rot -32:sc= 0.586 USER MOD Single : A 22 CYS SG : rot -74:sc= -1.03! USER MOD Single : A 23 SER OG : rot 180:sc= -0.0138 USER MOD Single : A 28 GLN : amide:sc= -0.0468 K(o=-0.047,f=-1.7) USER MOD Single : A 32 SER OG : rot 18:sc= 0.277 USER MOD Single : A 34 CYS SG : rot -21:sc= -4.54! USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 ASN : amide:sc= -0.088 X(o=-0.088,f=0) USER MOD Single : A 41 GLN : amide:sc= -0.45 X(o=-0.45,f=-0.21) USER MOD Single : A 47 TYR OH : rot 95:sc= 0.189 USER MOD Single : A 48 THR OG1 : rot 170:sc= 0.0857 USER MOD Single : A 54 SER OG : rot 73:sc= 0.23 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0423) USER MOD Single : A 73 LYS NZ :NH3+ 165:sc= 1.25 (180deg=0.875) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 MET CE :methyl 157:sc= -0.0451 (180deg=-1.23) USER MOD Single : A 80 HIS : no HD1:sc= 0 X(o=0,f=-0.003) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ -109:sc= 1.26 (180deg=-0.0091) USER MOD Single : A 88 SER OG : rot 8:sc= -0.0132 USER MOD Single : A 89 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 83 N PHE A 11 11.145 -2.582 3.329 1.00 0.00 N ATOM 84 CA PHE A 11 10.876 -3.400 2.113 1.00 0.00 C ATOM 85 C PHE A 11 9.367 -3.477 1.731 1.00 0.00 C ATOM 86 O PHE A 11 8.987 -4.223 0.827 1.00 0.00 O ATOM 87 CB PHE A 11 11.507 -4.808 2.231 1.00 0.00 C ATOM 88 CG PHE A 11 13.031 -4.808 2.322 1.00 0.00 C ATOM 89 CD1 PHE A 11 13.678 -4.735 3.554 1.00 0.00 C ATOM 90 CD2 PHE A 11 13.818 -4.880 1.170 1.00 0.00 C ATOM 91 CE1 PHE A 11 15.055 -4.735 3.632 1.00 0.00 C ATOM 92 CE2 PHE A 11 15.194 -4.878 1.250 1.00 0.00 C ATOM 93 CZ PHE A 11 15.814 -4.806 2.480 1.00 0.00 C ATOM 0 HA PHE A 11 11.360 -2.877 1.288 1.00 0.00 H new ATOM 0 HB2 PHE A 11 11.102 -5.302 3.114 1.00 0.00 H new ATOM 0 HB3 PHE A 11 11.206 -5.402 1.368 1.00 0.00 H new ATOM 0 HD1 PHE A 11 13.093 -4.678 4.460 1.00 0.00 H new ATOM 0 HD2 PHE A 11 13.341 -4.938 0.203 1.00 0.00 H new ATOM 0 HE1 PHE A 11 15.541 -4.679 4.595 1.00 0.00 H new ATOM 0 HE2 PHE A 11 15.787 -4.933 0.349 1.00 0.00 H new ATOM 0 HZ PHE A 11 16.892 -4.805 2.542 1.00 0.00 H new ATOM 103 N VAL A 12 8.539 -2.684 2.430 1.00 0.00 N ATOM 104 CA VAL A 12 7.087 -2.560 2.236 1.00 0.00 C ATOM 105 C VAL A 12 6.731 -1.130 2.654 1.00 0.00 C ATOM 106 O VAL A 12 7.199 -0.651 3.704 1.00 0.00 O ATOM 107 CB VAL A 12 6.228 -3.559 3.135 1.00 0.00 C ATOM 108 CG1 VAL A 12 4.704 -3.403 2.867 1.00 0.00 C ATOM 109 CG2 VAL A 12 6.655 -5.033 2.956 1.00 0.00 C ATOM 0 H VAL A 12 8.881 -2.084 3.181 1.00 0.00 H new ATOM 0 HA VAL A 12 6.855 -2.799 1.198 1.00 0.00 H new ATOM 0 HB VAL A 12 6.429 -3.283 4.170 1.00 0.00 H new ATOM 0 HG11 VAL A 12 4.151 -4.099 3.497 1.00 0.00 H new ATOM 0 HG12 VAL A 12 4.397 -2.383 3.097 1.00 0.00 H new ATOM 0 HG13 VAL A 12 4.495 -3.617 1.819 1.00 0.00 H new ATOM 0 HG21 VAL A 12 6.039 -5.670 3.590 1.00 0.00 H new ATOM 0 HG22 VAL A 12 6.526 -5.325 1.914 1.00 0.00 H new ATOM 0 HG23 VAL A 12 7.702 -5.145 3.237 1.00 0.00 H new ATOM 119 N VAL A 13 5.937 -0.435 1.845 1.00 0.00 N ATOM 120 CA VAL A 13 5.363 0.862 2.227 1.00 0.00 C ATOM 121 C VAL A 13 3.864 0.726 2.486 1.00 0.00 C ATOM 122 O VAL A 13 3.224 -0.246 2.065 1.00 0.00 O ATOM 123 CB VAL A 13 5.624 1.970 1.149 1.00 0.00 C ATOM 124 CG1 VAL A 13 7.127 2.288 1.049 1.00 0.00 C ATOM 125 CG2 VAL A 13 5.020 1.597 -0.237 1.00 0.00 C ATOM 0 H VAL A 13 5.671 -0.748 0.911 1.00 0.00 H new ATOM 0 HA VAL A 13 5.863 1.175 3.144 1.00 0.00 H new ATOM 0 HB VAL A 13 5.109 2.873 1.476 1.00 0.00 H new ATOM 0 HG11 VAL A 13 7.286 3.059 0.295 1.00 0.00 H new ATOM 0 HG12 VAL A 13 7.489 2.643 2.014 1.00 0.00 H new ATOM 0 HG13 VAL A 13 7.672 1.387 0.767 1.00 0.00 H new ATOM 0 HG21 VAL A 13 5.226 2.395 -0.950 1.00 0.00 H new ATOM 0 HG22 VAL A 13 5.468 0.669 -0.591 1.00 0.00 H new ATOM 0 HG23 VAL A 13 3.942 1.466 -0.141 1.00 0.00 H new ATOM 135 N LYS A 14 3.319 1.734 3.152 1.00 0.00 N ATOM 136 CA LYS A 14 1.907 1.798 3.507 1.00 0.00 C ATOM 137 C LYS A 14 1.349 3.068 2.898 1.00 0.00 C ATOM 138 O LYS A 14 1.871 4.157 3.117 1.00 0.00 O ATOM 139 CB LYS A 14 1.696 1.785 5.034 1.00 0.00 C ATOM 140 CG LYS A 14 0.211 1.889 5.467 1.00 0.00 C ATOM 141 CD LYS A 14 0.033 1.799 6.988 1.00 0.00 C ATOM 142 CE LYS A 14 0.831 2.867 7.744 1.00 0.00 C ATOM 143 NZ LYS A 14 0.807 2.623 9.194 1.00 0.00 N ATOM 0 H LYS A 14 3.854 2.544 3.466 1.00 0.00 H new ATOM 0 HA LYS A 14 1.389 0.920 3.122 1.00 0.00 H new ATOM 0 HB2 LYS A 14 2.119 0.866 5.441 1.00 0.00 H new ATOM 0 HB3 LYS A 14 2.251 2.614 5.474 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -0.202 2.833 5.112 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -0.359 1.092 4.990 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -1.024 1.902 7.232 1.00 0.00 H new ATOM 0 HD3 LYS A 14 0.344 0.811 7.328 1.00 0.00 H new ATOM 0 HE2 LYS A 14 1.862 2.872 7.391 1.00 0.00 H new ATOM 0 HE3 LYS A 14 0.416 3.852 7.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 1.191 3.452 9.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -0.172 2.457 9.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 1.386 1.788 9.415 1.00 0.00 H new ATOM 157 N VAL A 15 0.284 2.903 2.147 1.00 0.00 N ATOM 158 CA VAL A 15 -0.276 3.916 1.279 1.00 0.00 C ATOM 159 C VAL A 15 -1.607 4.378 1.863 1.00 0.00 C ATOM 160 O VAL A 15 -2.474 3.551 2.132 1.00 0.00 O ATOM 161 CB VAL A 15 -0.485 3.310 -0.156 1.00 0.00 C ATOM 162 CG1 VAL A 15 -0.915 4.387 -1.168 1.00 0.00 C ATOM 163 CG2 VAL A 15 0.790 2.567 -0.628 1.00 0.00 C ATOM 0 H VAL A 15 -0.236 2.026 2.123 1.00 0.00 H new ATOM 0 HA VAL A 15 0.398 4.769 1.203 1.00 0.00 H new ATOM 0 HB VAL A 15 -1.296 2.584 -0.097 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -1.050 3.931 -2.149 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -1.854 4.836 -0.844 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -0.146 5.157 -1.228 1.00 0.00 H new ATOM 0 HG21 VAL A 15 0.624 2.155 -1.623 1.00 0.00 H new ATOM 0 HG22 VAL A 15 1.627 3.264 -0.659 1.00 0.00 H new ATOM 0 HG23 VAL A 15 1.017 1.758 0.066 1.00 0.00 H new ATOM 173 N ARG A 16 -1.754 5.685 2.056 1.00 0.00 N ATOM 174 CA ARG A 16 -2.974 6.286 2.610 1.00 0.00 C ATOM 175 C ARG A 16 -3.342 7.486 1.739 1.00 0.00 C ATOM 176 O ARG A 16 -2.481 8.299 1.412 1.00 0.00 O ATOM 177 CB ARG A 16 -2.764 6.669 4.110 1.00 0.00 C ATOM 178 CG ARG A 16 -4.032 7.194 4.858 1.00 0.00 C ATOM 179 CD ARG A 16 -4.196 8.730 4.808 1.00 0.00 C ATOM 180 NE ARG A 16 -3.134 9.400 5.580 1.00 0.00 N ATOM 181 CZ ARG A 16 -2.528 10.548 5.259 1.00 0.00 C ATOM 182 NH1 ARG A 16 -2.795 11.177 4.121 1.00 0.00 N ATOM 183 NH2 ARG A 16 -1.624 11.052 6.080 1.00 0.00 N ATOM 0 H ARG A 16 -1.028 6.366 1.833 1.00 0.00 H new ATOM 0 HA ARG A 16 -3.801 5.576 2.595 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -2.388 5.794 4.640 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -1.989 7.433 4.166 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -4.917 6.729 4.423 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -3.985 6.877 5.900 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -4.167 9.069 3.772 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -5.171 9.008 5.207 1.00 0.00 H new ATOM 0 HE ARG A 16 -2.833 8.944 6.441 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -3.475 10.786 3.469 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -2.320 12.052 3.898 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -1.395 10.566 6.947 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -1.155 11.927 5.847 1.00 0.00 H new ATOM 197 N GLY A 17 -4.628 7.605 1.408 1.00 0.00 N ATOM 198 CA GLY A 17 -5.104 8.556 0.393 1.00 0.00 C ATOM 199 C GLY A 17 -5.657 7.853 -0.840 1.00 0.00 C ATOM 200 O GLY A 17 -5.852 8.471 -1.890 1.00 0.00 O ATOM 0 H GLY A 17 -5.370 7.048 1.832 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -5.878 9.189 0.826 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -4.284 9.211 0.099 1.00 0.00 H new ATOM 204 N LEU A 18 -5.903 6.548 -0.710 1.00 0.00 N ATOM 205 CA LEU A 18 -6.546 5.755 -1.762 1.00 0.00 C ATOM 206 C LEU A 18 -8.064 5.859 -1.575 1.00 0.00 C ATOM 207 O LEU A 18 -8.550 5.618 -0.464 1.00 0.00 O ATOM 208 CB LEU A 18 -6.085 4.270 -1.698 1.00 0.00 C ATOM 209 CG LEU A 18 -4.555 4.021 -1.848 1.00 0.00 C ATOM 210 CD1 LEU A 18 -4.219 2.521 -1.685 1.00 0.00 C ATOM 211 CD2 LEU A 18 -4.013 4.596 -3.181 1.00 0.00 C ATOM 0 H LEU A 18 -5.664 6.012 0.124 1.00 0.00 H new ATOM 0 HA LEU A 18 -6.262 6.139 -2.742 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -6.409 3.851 -0.745 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -6.601 3.716 -2.482 1.00 0.00 H new ATOM 0 HG LEU A 18 -4.049 4.557 -1.045 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.144 2.375 -1.794 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -4.533 2.183 -0.697 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.743 1.946 -2.448 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.942 4.404 -3.251 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -4.523 4.118 -4.017 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.192 5.671 -3.213 1.00 0.00 H new ATOM 223 N PRO A 19 -8.839 6.277 -2.623 1.00 0.00 N ATOM 224 CA PRO A 19 -10.316 6.218 -2.578 1.00 0.00 C ATOM 225 C PRO A 19 -10.823 4.769 -2.379 1.00 0.00 C ATOM 226 O PRO A 19 -10.133 3.817 -2.754 1.00 0.00 O ATOM 227 CB PRO A 19 -10.749 6.807 -3.953 1.00 0.00 C ATOM 228 CG PRO A 19 -9.567 7.614 -4.415 1.00 0.00 C ATOM 229 CD PRO A 19 -8.349 6.883 -3.896 1.00 0.00 C ATOM 0 HA PRO A 19 -10.736 6.772 -1.739 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -10.990 6.016 -4.664 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -11.638 7.429 -3.854 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -9.545 7.690 -5.502 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -9.610 8.631 -4.025 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -8.004 6.124 -4.598 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -7.513 7.562 -3.725 1.00 0.00 H new ATOM 237 N TRP A 20 -12.027 4.624 -1.791 1.00 0.00 N ATOM 238 CA TRP A 20 -12.658 3.305 -1.535 1.00 0.00 C ATOM 239 C TRP A 20 -12.746 2.506 -2.858 1.00 0.00 C ATOM 240 O TRP A 20 -12.322 1.349 -2.935 1.00 0.00 O ATOM 241 CB TRP A 20 -14.072 3.527 -0.898 1.00 0.00 C ATOM 242 CG TRP A 20 -14.877 2.284 -0.492 1.00 0.00 C ATOM 243 CD1 TRP A 20 -14.634 0.962 -0.783 1.00 0.00 C ATOM 244 CD2 TRP A 20 -16.086 2.280 0.288 1.00 0.00 C ATOM 245 NE1 TRP A 20 -15.610 0.165 -0.251 1.00 0.00 N ATOM 246 CE2 TRP A 20 -16.512 0.945 0.407 1.00 0.00 C ATOM 247 CE3 TRP A 20 -16.845 3.279 0.894 1.00 0.00 C ATOM 248 CZ2 TRP A 20 -17.660 0.587 1.103 1.00 0.00 C ATOM 249 CZ3 TRP A 20 -17.992 2.925 1.579 1.00 0.00 C ATOM 250 CH2 TRP A 20 -18.384 1.589 1.684 1.00 0.00 C ATOM 0 H TRP A 20 -12.592 5.414 -1.479 1.00 0.00 H new ATOM 0 HA TRP A 20 -12.056 2.725 -0.835 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -13.946 4.149 -0.012 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -14.672 4.098 -1.606 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -13.790 0.603 -1.353 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -15.655 -0.851 -0.334 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -16.542 4.314 0.829 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -17.968 -0.445 1.182 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -18.594 3.694 2.040 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -19.279 1.343 2.236 1.00 0.00 H new ATOM 261 N SER A 21 -13.212 3.192 -3.903 1.00 0.00 N ATOM 262 CA SER A 21 -13.542 2.587 -5.198 1.00 0.00 C ATOM 263 C SER A 21 -12.307 2.484 -6.137 1.00 0.00 C ATOM 264 O SER A 21 -12.472 2.261 -7.341 1.00 0.00 O ATOM 265 CB SER A 21 -14.675 3.430 -5.842 1.00 0.00 C ATOM 266 OG SER A 21 -15.169 2.850 -7.041 1.00 0.00 O ATOM 0 H SER A 21 -13.374 4.199 -3.875 1.00 0.00 H new ATOM 0 HA SER A 21 -13.876 1.561 -5.041 1.00 0.00 H new ATOM 0 HB2 SER A 21 -15.493 3.538 -5.130 1.00 0.00 H new ATOM 0 HB3 SER A 21 -14.303 4.432 -6.053 1.00 0.00 H new ATOM 0 HG SER A 21 -14.443 2.376 -7.498 1.00 0.00 H new ATOM 272 N CYS A 22 -11.071 2.600 -5.591 1.00 0.00 N ATOM 273 CA CYS A 22 -9.838 2.490 -6.405 1.00 0.00 C ATOM 274 C CYS A 22 -9.436 1.009 -6.504 1.00 0.00 C ATOM 275 O CYS A 22 -9.521 0.273 -5.512 1.00 0.00 O ATOM 276 CB CYS A 22 -8.683 3.313 -5.786 1.00 0.00 C ATOM 277 SG CYS A 22 -8.004 2.628 -4.251 1.00 0.00 S ATOM 0 H CYS A 22 -10.904 2.768 -4.599 1.00 0.00 H new ATOM 0 HA CYS A 22 -10.035 2.891 -7.399 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -7.880 3.394 -6.518 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -9.040 4.324 -5.590 1.00 0.00 H new ATOM 0 HG CYS A 22 -8.841 2.832 -3.277 1.00 0.00 H new ATOM 283 N SER A 23 -9.020 0.573 -7.699 1.00 0.00 N ATOM 284 CA SER A 23 -8.616 -0.821 -7.956 1.00 0.00 C ATOM 285 C SER A 23 -7.110 -0.999 -7.677 1.00 0.00 C ATOM 286 O SER A 23 -6.370 -0.014 -7.598 1.00 0.00 O ATOM 287 CB SER A 23 -8.926 -1.192 -9.428 1.00 0.00 C ATOM 288 OG SER A 23 -8.589 -2.539 -9.719 1.00 0.00 O ATOM 0 H SER A 23 -8.953 1.176 -8.519 1.00 0.00 H new ATOM 0 HA SER A 23 -9.176 -1.480 -7.293 1.00 0.00 H new ATOM 0 HB2 SER A 23 -9.986 -1.032 -9.627 1.00 0.00 H new ATOM 0 HB3 SER A 23 -8.374 -0.528 -10.093 1.00 0.00 H new ATOM 0 HG SER A 23 -8.801 -2.734 -10.656 1.00 0.00 H new ATOM 294 N ALA A 24 -6.672 -2.269 -7.539 1.00 0.00 N ATOM 295 CA ALA A 24 -5.243 -2.636 -7.436 1.00 0.00 C ATOM 296 C ALA A 24 -4.448 -2.096 -8.644 1.00 0.00 C ATOM 297 O ALA A 24 -3.327 -1.613 -8.490 1.00 0.00 O ATOM 298 CB ALA A 24 -5.084 -4.164 -7.317 1.00 0.00 C ATOM 0 H ALA A 24 -7.301 -3.071 -7.496 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.838 -2.178 -6.534 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.026 -4.415 -7.242 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -5.604 -4.516 -6.426 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -5.509 -4.644 -8.198 1.00 0.00 H new ATOM 304 N ASP A 25 -5.071 -2.182 -9.832 1.00 0.00 N ATOM 305 CA ASP A 25 -4.519 -1.641 -11.098 1.00 0.00 C ATOM 306 C ASP A 25 -4.344 -0.105 -11.044 1.00 0.00 C ATOM 307 O ASP A 25 -3.367 0.416 -11.571 1.00 0.00 O ATOM 308 CB ASP A 25 -5.438 -2.043 -12.286 1.00 0.00 C ATOM 309 CG ASP A 25 -4.966 -1.490 -13.650 1.00 0.00 C ATOM 310 OD1 ASP A 25 -3.934 -1.961 -14.170 1.00 0.00 O ATOM 311 OD2 ASP A 25 -5.608 -0.570 -14.196 1.00 0.00 O ATOM 0 H ASP A 25 -5.979 -2.631 -9.947 1.00 0.00 H new ATOM 0 HA ASP A 25 -3.528 -2.072 -11.243 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -5.489 -3.130 -12.343 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -6.449 -1.686 -12.089 1.00 0.00 H new ATOM 316 N GLU A 26 -5.298 0.598 -10.404 1.00 0.00 N ATOM 317 CA GLU A 26 -5.250 2.075 -10.253 1.00 0.00 C ATOM 318 C GLU A 26 -4.077 2.498 -9.342 1.00 0.00 C ATOM 319 O GLU A 26 -3.354 3.460 -9.639 1.00 0.00 O ATOM 320 CB GLU A 26 -6.590 2.613 -9.671 1.00 0.00 C ATOM 321 CG GLU A 26 -7.836 2.359 -10.548 1.00 0.00 C ATOM 322 CD GLU A 26 -7.808 3.083 -11.906 1.00 0.00 C ATOM 323 OE1 GLU A 26 -7.631 4.322 -11.925 1.00 0.00 O ATOM 324 OE2 GLU A 26 -7.954 2.430 -12.956 1.00 0.00 O ATOM 0 H GLU A 26 -6.119 0.168 -9.979 1.00 0.00 H new ATOM 0 HA GLU A 26 -5.097 2.505 -11.243 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -6.753 2.156 -8.695 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -6.492 3.686 -9.508 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -7.932 1.287 -10.722 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -8.724 2.674 -9.999 1.00 0.00 H new ATOM 331 N VAL A 27 -3.906 1.755 -8.234 1.00 0.00 N ATOM 332 CA VAL A 27 -2.831 1.990 -7.249 1.00 0.00 C ATOM 333 C VAL A 27 -1.461 1.651 -7.870 1.00 0.00 C ATOM 334 O VAL A 27 -0.483 2.375 -7.665 1.00 0.00 O ATOM 335 CB VAL A 27 -3.062 1.138 -5.943 1.00 0.00 C ATOM 336 CG1 VAL A 27 -1.948 1.380 -4.889 1.00 0.00 C ATOM 337 CG2 VAL A 27 -4.462 1.413 -5.346 1.00 0.00 C ATOM 0 H VAL A 27 -4.512 0.970 -7.994 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.847 3.044 -6.972 1.00 0.00 H new ATOM 0 HB VAL A 27 -3.013 0.087 -6.227 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -2.146 0.774 -4.005 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.982 1.103 -5.311 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.933 2.434 -4.610 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -4.598 0.814 -4.446 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -4.549 2.470 -5.095 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -5.227 1.149 -6.076 1.00 0.00 H new ATOM 347 N GLN A 28 -1.434 0.573 -8.672 1.00 0.00 N ATOM 348 CA GLN A 28 -0.213 0.073 -9.328 1.00 0.00 C ATOM 349 C GLN A 28 0.244 1.055 -10.419 1.00 0.00 C ATOM 350 O GLN A 28 1.441 1.298 -10.584 1.00 0.00 O ATOM 351 CB GLN A 28 -0.481 -1.334 -9.929 1.00 0.00 C ATOM 352 CG GLN A 28 0.765 -2.056 -10.470 1.00 0.00 C ATOM 353 CD GLN A 28 0.514 -3.514 -10.842 1.00 0.00 C ATOM 354 OE1 GLN A 28 -0.346 -4.180 -10.266 1.00 0.00 O ATOM 355 NE2 GLN A 28 1.278 -4.027 -11.791 1.00 0.00 N ATOM 0 H GLN A 28 -2.264 0.020 -8.885 1.00 0.00 H new ATOM 0 HA GLN A 28 0.585 -0.009 -8.590 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -0.941 -1.959 -9.163 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -1.206 -1.236 -10.737 1.00 0.00 H new ATOM 0 HG2 GLN A 28 1.130 -1.524 -11.348 1.00 0.00 H new ATOM 0 HG3 GLN A 28 1.554 -2.012 -9.720 1.00 0.00 H new ATOM 0 HE21 GLN A 28 1.982 -3.447 -12.248 1.00 0.00 H new ATOM 0 HE22 GLN A 28 1.164 -5.003 -12.066 1.00 0.00 H new ATOM 364 N ARG A 29 -0.745 1.601 -11.159 1.00 0.00 N ATOM 365 CA ARG A 29 -0.538 2.643 -12.181 1.00 0.00 C ATOM 366 C ARG A 29 0.123 3.879 -11.548 1.00 0.00 C ATOM 367 O ARG A 29 1.109 4.394 -12.080 1.00 0.00 O ATOM 368 CB ARG A 29 -1.909 2.982 -12.854 1.00 0.00 C ATOM 369 CG ARG A 29 -1.847 3.776 -14.191 1.00 0.00 C ATOM 370 CD ARG A 29 -1.594 5.284 -14.030 1.00 0.00 C ATOM 371 NE ARG A 29 -1.499 5.969 -15.323 1.00 0.00 N ATOM 372 CZ ARG A 29 -1.036 7.212 -15.509 1.00 0.00 C ATOM 373 NH1 ARG A 29 -0.605 7.952 -14.480 1.00 0.00 N ATOM 374 NH2 ARG A 29 -1.012 7.711 -16.740 1.00 0.00 N ATOM 0 H ARG A 29 -1.722 1.325 -11.060 1.00 0.00 H new ATOM 0 HA ARG A 29 0.137 2.282 -12.957 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -2.440 2.048 -13.036 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -2.506 3.555 -12.144 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -1.058 3.353 -14.813 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -2.786 3.634 -14.726 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -2.400 5.726 -13.445 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -0.672 5.439 -13.470 1.00 0.00 H new ATOM 0 HE ARG A 29 -1.811 5.457 -16.148 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -0.626 7.571 -13.534 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -0.256 8.897 -14.642 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -1.343 7.149 -17.525 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -0.663 8.656 -16.901 1.00 0.00 H new ATOM 388 N PHE A 30 -0.411 4.328 -10.395 1.00 0.00 N ATOM 389 CA PHE A 30 0.158 5.468 -9.647 1.00 0.00 C ATOM 390 C PHE A 30 1.603 5.139 -9.208 1.00 0.00 C ATOM 391 O PHE A 30 2.506 5.959 -9.377 1.00 0.00 O ATOM 392 CB PHE A 30 -0.740 5.828 -8.424 1.00 0.00 C ATOM 393 CG PHE A 30 -0.237 7.004 -7.575 1.00 0.00 C ATOM 394 CD1 PHE A 30 0.109 8.221 -8.170 1.00 0.00 C ATOM 395 CD2 PHE A 30 -0.109 6.898 -6.191 1.00 0.00 C ATOM 396 CE1 PHE A 30 0.569 9.280 -7.410 1.00 0.00 C ATOM 397 CE2 PHE A 30 0.350 7.961 -5.434 1.00 0.00 C ATOM 398 CZ PHE A 30 0.690 9.150 -6.044 1.00 0.00 C ATOM 0 H PHE A 30 -1.237 3.918 -9.960 1.00 0.00 H new ATOM 0 HA PHE A 30 0.188 6.341 -10.298 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -1.742 6.061 -8.784 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -0.828 4.949 -7.785 1.00 0.00 H new ATOM 0 HD1 PHE A 30 0.015 8.335 -9.240 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -0.372 5.972 -5.702 1.00 0.00 H new ATOM 0 HE1 PHE A 30 0.834 10.211 -7.888 1.00 0.00 H new ATOM 0 HE2 PHE A 30 0.442 7.859 -4.363 1.00 0.00 H new ATOM 0 HZ PHE A 30 1.051 9.978 -5.452 1.00 0.00 H new ATOM 408 N PHE A 31 1.812 3.907 -8.704 1.00 0.00 N ATOM 409 CA PHE A 31 3.128 3.418 -8.224 1.00 0.00 C ATOM 410 C PHE A 31 3.973 2.792 -9.366 1.00 0.00 C ATOM 411 O PHE A 31 4.806 1.902 -9.124 1.00 0.00 O ATOM 412 CB PHE A 31 2.902 2.419 -7.042 1.00 0.00 C ATOM 413 CG PHE A 31 2.625 3.102 -5.696 1.00 0.00 C ATOM 414 CD1 PHE A 31 1.368 3.618 -5.390 1.00 0.00 C ATOM 415 CD2 PHE A 31 3.640 3.247 -4.746 1.00 0.00 C ATOM 416 CE1 PHE A 31 1.137 4.253 -4.187 1.00 0.00 C ATOM 417 CE2 PHE A 31 3.407 3.879 -3.543 1.00 0.00 C ATOM 418 CZ PHE A 31 2.156 4.386 -3.266 1.00 0.00 C ATOM 0 H PHE A 31 1.069 3.214 -8.616 1.00 0.00 H new ATOM 0 HA PHE A 31 3.708 4.267 -7.863 1.00 0.00 H new ATOM 0 HB2 PHE A 31 2.064 1.766 -7.286 1.00 0.00 H new ATOM 0 HB3 PHE A 31 3.782 1.784 -6.942 1.00 0.00 H new ATOM 0 HD1 PHE A 31 0.563 3.520 -6.104 1.00 0.00 H new ATOM 0 HD2 PHE A 31 4.625 2.857 -4.958 1.00 0.00 H new ATOM 0 HE1 PHE A 31 0.156 4.647 -3.966 1.00 0.00 H new ATOM 0 HE2 PHE A 31 4.203 3.976 -2.820 1.00 0.00 H new ATOM 0 HZ PHE A 31 1.973 4.888 -2.327 1.00 0.00 H new ATOM 428 N SER A 32 3.776 3.277 -10.612 1.00 0.00 N ATOM 429 CA SER A 32 4.659 2.943 -11.741 1.00 0.00 C ATOM 430 C SER A 32 5.928 3.823 -11.671 1.00 0.00 C ATOM 431 O SER A 32 5.979 4.917 -12.248 1.00 0.00 O ATOM 432 CB SER A 32 3.913 3.106 -13.080 1.00 0.00 C ATOM 433 OG SER A 32 2.775 2.256 -13.131 1.00 0.00 O ATOM 0 H SER A 32 3.009 3.903 -10.857 1.00 0.00 H new ATOM 0 HA SER A 32 4.964 1.898 -11.676 1.00 0.00 H new ATOM 0 HB2 SER A 32 3.603 4.144 -13.205 1.00 0.00 H new ATOM 0 HB3 SER A 32 4.584 2.872 -13.906 1.00 0.00 H new ATOM 0 HG SER A 32 2.539 1.971 -12.224 1.00 0.00 H new ATOM 439 N ASP A 33 6.946 3.287 -10.971 1.00 0.00 N ATOM 440 CA ASP A 33 8.162 3.997 -10.518 1.00 0.00 C ATOM 441 C ASP A 33 8.868 3.079 -9.503 1.00 0.00 C ATOM 442 O ASP A 33 10.048 2.762 -9.646 1.00 0.00 O ATOM 443 CB ASP A 33 7.912 5.428 -9.905 1.00 0.00 C ATOM 444 CG ASP A 33 6.906 5.487 -8.733 1.00 0.00 C ATOM 445 OD1 ASP A 33 5.694 5.641 -8.981 1.00 0.00 O ATOM 446 OD2 ASP A 33 7.329 5.407 -7.557 1.00 0.00 O ATOM 0 H ASP A 33 6.945 2.306 -10.693 1.00 0.00 H new ATOM 0 HA ASP A 33 8.779 4.196 -11.394 1.00 0.00 H new ATOM 0 HB2 ASP A 33 8.866 5.828 -9.562 1.00 0.00 H new ATOM 0 HB3 ASP A 33 7.557 6.086 -10.698 1.00 0.00 H new ATOM 451 N CYS A 34 8.095 2.636 -8.497 1.00 0.00 N ATOM 452 CA CYS A 34 8.546 1.667 -7.489 1.00 0.00 C ATOM 453 C CYS A 34 8.339 0.243 -8.021 1.00 0.00 C ATOM 454 O CYS A 34 7.255 -0.085 -8.521 1.00 0.00 O ATOM 455 CB CYS A 34 7.795 1.861 -6.148 1.00 0.00 C ATOM 456 SG CYS A 34 6.025 1.539 -6.211 1.00 0.00 S ATOM 0 H CYS A 34 7.132 2.944 -8.361 1.00 0.00 H new ATOM 0 HA CYS A 34 9.606 1.831 -7.298 1.00 0.00 H new ATOM 0 HB2 CYS A 34 8.242 1.205 -5.401 1.00 0.00 H new ATOM 0 HB3 CYS A 34 7.951 2.885 -5.807 1.00 0.00 H new ATOM 0 HG CYS A 34 5.612 1.624 -7.441 1.00 0.00 H new ATOM 462 N LYS A 35 9.382 -0.593 -7.927 1.00 0.00 N ATOM 463 CA LYS A 35 9.307 -2.000 -8.340 1.00 0.00 C ATOM 464 C LYS A 35 8.497 -2.759 -7.281 1.00 0.00 C ATOM 465 O LYS A 35 9.045 -3.182 -6.259 1.00 0.00 O ATOM 466 CB LYS A 35 10.724 -2.631 -8.522 1.00 0.00 C ATOM 467 CG LYS A 35 11.453 -2.296 -9.847 1.00 0.00 C ATOM 468 CD LYS A 35 11.694 -0.784 -10.069 1.00 0.00 C ATOM 469 CE LYS A 35 12.662 -0.491 -11.224 1.00 0.00 C ATOM 470 NZ LYS A 35 12.193 -1.049 -12.516 1.00 0.00 N ATOM 0 H LYS A 35 10.294 -0.315 -7.565 1.00 0.00 H new ATOM 0 HA LYS A 35 8.818 -2.068 -9.312 1.00 0.00 H new ATOM 0 HB2 LYS A 35 11.353 -2.307 -7.693 1.00 0.00 H new ATOM 0 HB3 LYS A 35 10.630 -3.714 -8.446 1.00 0.00 H new ATOM 0 HG2 LYS A 35 12.413 -2.812 -9.862 1.00 0.00 H new ATOM 0 HG3 LYS A 35 10.868 -2.686 -10.680 1.00 0.00 H new ATOM 0 HD2 LYS A 35 10.740 -0.296 -10.270 1.00 0.00 H new ATOM 0 HD3 LYS A 35 12.089 -0.347 -9.152 1.00 0.00 H new ATOM 0 HE2 LYS A 35 12.789 0.587 -11.323 1.00 0.00 H new ATOM 0 HE3 LYS A 35 13.641 -0.907 -10.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 12.882 -0.824 -13.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 12.097 -2.081 -12.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 11.271 -0.634 -12.759 1.00 0.00 H new ATOM 484 N ILE A 36 7.171 -2.824 -7.489 1.00 0.00 N ATOM 485 CA ILE A 36 6.262 -3.571 -6.613 1.00 0.00 C ATOM 486 C ILE A 36 6.556 -5.067 -6.804 1.00 0.00 C ATOM 487 O ILE A 36 6.578 -5.536 -7.951 1.00 0.00 O ATOM 488 CB ILE A 36 4.753 -3.246 -6.924 1.00 0.00 C ATOM 489 CG1 ILE A 36 4.538 -1.710 -7.099 1.00 0.00 C ATOM 490 CG2 ILE A 36 3.837 -3.801 -5.809 1.00 0.00 C ATOM 491 CD1 ILE A 36 3.125 -1.305 -7.507 1.00 0.00 C ATOM 0 H ILE A 36 6.703 -2.360 -8.268 1.00 0.00 H new ATOM 0 HA ILE A 36 6.428 -3.280 -5.576 1.00 0.00 H new ATOM 0 HB ILE A 36 4.488 -3.733 -7.862 1.00 0.00 H new ATOM 0 HG12 ILE A 36 4.787 -1.213 -6.161 1.00 0.00 H new ATOM 0 HG13 ILE A 36 5.237 -1.343 -7.850 1.00 0.00 H new ATOM 0 HG21 ILE A 36 2.798 -3.567 -6.041 1.00 0.00 H new ATOM 0 HG22 ILE A 36 3.959 -4.882 -5.742 1.00 0.00 H new ATOM 0 HG23 ILE A 36 4.107 -3.346 -4.856 1.00 0.00 H new ATOM 0 HD11 ILE A 36 3.071 -0.221 -7.604 1.00 0.00 H new ATOM 0 HD12 ILE A 36 2.875 -1.768 -8.462 1.00 0.00 H new ATOM 0 HD13 ILE A 36 2.418 -1.637 -6.747 1.00 0.00 H new ATOM 503 N GLN A 37 6.750 -5.783 -5.682 1.00 0.00 N ATOM 504 CA GLN A 37 7.435 -7.097 -5.641 1.00 0.00 C ATOM 505 C GLN A 37 6.914 -8.095 -6.704 1.00 0.00 C ATOM 506 O GLN A 37 7.691 -8.574 -7.538 1.00 0.00 O ATOM 507 CB GLN A 37 7.340 -7.708 -4.222 1.00 0.00 C ATOM 508 CG GLN A 37 8.274 -8.918 -4.004 1.00 0.00 C ATOM 509 CD GLN A 37 8.129 -9.539 -2.622 1.00 0.00 C ATOM 510 OE1 GLN A 37 7.373 -10.489 -2.427 1.00 0.00 O ATOM 511 NE2 GLN A 37 8.839 -8.998 -1.644 1.00 0.00 N ATOM 0 H GLN A 37 6.434 -5.466 -4.766 1.00 0.00 H new ATOM 0 HA GLN A 37 8.480 -6.911 -5.887 1.00 0.00 H new ATOM 0 HB2 GLN A 37 7.579 -6.939 -3.488 1.00 0.00 H new ATOM 0 HB3 GLN A 37 6.311 -8.016 -4.037 1.00 0.00 H new ATOM 0 HG2 GLN A 37 8.063 -9.674 -4.760 1.00 0.00 H new ATOM 0 HG3 GLN A 37 9.307 -8.603 -4.148 1.00 0.00 H new ATOM 0 HE21 GLN A 37 9.457 -8.210 -1.838 1.00 0.00 H new ATOM 0 HE22 GLN A 37 8.768 -9.369 -0.696 1.00 0.00 H new ATOM 520 N ASN A 38 5.605 -8.405 -6.671 1.00 0.00 N ATOM 521 CA ASN A 38 4.926 -9.168 -7.741 1.00 0.00 C ATOM 522 C ASN A 38 3.681 -8.388 -8.225 1.00 0.00 C ATOM 523 O ASN A 38 2.621 -8.971 -8.492 1.00 0.00 O ATOM 524 CB ASN A 38 4.542 -10.591 -7.232 1.00 0.00 C ATOM 525 CG ASN A 38 5.759 -11.486 -6.970 1.00 0.00 C ATOM 526 OD1 ASN A 38 6.178 -12.255 -7.838 1.00 0.00 O ATOM 527 ND2 ASN A 38 6.348 -11.379 -5.780 1.00 0.00 N ATOM 0 H ASN A 38 4.987 -8.136 -5.905 1.00 0.00 H new ATOM 0 HA ASN A 38 5.604 -9.291 -8.585 1.00 0.00 H new ATOM 0 HB2 ASN A 38 3.963 -10.497 -6.313 1.00 0.00 H new ATOM 0 HB3 ASN A 38 3.897 -11.071 -7.968 1.00 0.00 H new ATOM 0 HD21 ASN A 38 7.170 -11.943 -5.565 1.00 0.00 H new ATOM 0 HD22 ASN A 38 5.977 -10.733 -5.083 1.00 0.00 H new ATOM 534 N GLY A 39 3.842 -7.059 -8.355 1.00 0.00 N ATOM 535 CA GLY A 39 2.783 -6.181 -8.866 1.00 0.00 C ATOM 536 C GLY A 39 1.591 -6.090 -7.924 1.00 0.00 C ATOM 537 O GLY A 39 1.770 -5.848 -6.733 1.00 0.00 O ATOM 0 H GLY A 39 4.703 -6.570 -8.110 1.00 0.00 H new ATOM 0 HA2 GLY A 39 3.190 -5.183 -9.028 1.00 0.00 H new ATOM 0 HA3 GLY A 39 2.448 -6.549 -9.836 1.00 0.00 H new ATOM 541 N ALA A 40 0.366 -6.316 -8.445 1.00 0.00 N ATOM 542 CA ALA A 40 -0.876 -6.330 -7.643 1.00 0.00 C ATOM 543 C ALA A 40 -0.860 -7.403 -6.530 1.00 0.00 C ATOM 544 O ALA A 40 -1.578 -7.277 -5.531 1.00 0.00 O ATOM 545 CB ALA A 40 -2.089 -6.529 -8.567 1.00 0.00 C ATOM 0 H ALA A 40 0.210 -6.494 -9.437 1.00 0.00 H new ATOM 0 HA ALA A 40 -0.949 -5.365 -7.141 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -3.002 -6.539 -7.972 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -2.135 -5.713 -9.288 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -1.991 -7.477 -9.097 1.00 0.00 H new ATOM 551 N GLN A 41 -0.036 -8.456 -6.716 1.00 0.00 N ATOM 552 CA GLN A 41 0.135 -9.526 -5.707 1.00 0.00 C ATOM 553 C GLN A 41 0.885 -8.985 -4.461 1.00 0.00 C ATOM 554 O GLN A 41 0.798 -9.563 -3.371 1.00 0.00 O ATOM 555 CB GLN A 41 0.885 -10.750 -6.309 1.00 0.00 C ATOM 556 CG GLN A 41 0.111 -11.577 -7.373 1.00 0.00 C ATOM 557 CD GLN A 41 -0.100 -10.863 -8.715 1.00 0.00 C ATOM 558 OE1 GLN A 41 0.727 -10.958 -9.623 1.00 0.00 O ATOM 559 NE2 GLN A 41 -1.201 -10.135 -8.841 1.00 0.00 N ATOM 0 H GLN A 41 0.524 -8.589 -7.558 1.00 0.00 H new ATOM 0 HA GLN A 41 -0.856 -9.858 -5.398 1.00 0.00 H new ATOM 0 HB2 GLN A 41 1.812 -10.395 -6.759 1.00 0.00 H new ATOM 0 HB3 GLN A 41 1.162 -11.417 -5.493 1.00 0.00 H new ATOM 0 HG2 GLN A 41 0.651 -12.507 -7.553 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -0.863 -11.848 -6.964 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -1.866 -10.078 -8.069 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -1.383 -9.632 -9.710 1.00 0.00 H new ATOM 568 N GLY A 42 1.620 -7.870 -4.645 1.00 0.00 N ATOM 569 CA GLY A 42 2.226 -7.114 -3.542 1.00 0.00 C ATOM 570 C GLY A 42 1.524 -5.782 -3.305 1.00 0.00 C ATOM 571 O GLY A 42 2.164 -4.782 -3.018 1.00 0.00 O ATOM 0 H GLY A 42 1.808 -7.472 -5.565 1.00 0.00 H new ATOM 0 HA2 GLY A 42 2.188 -7.710 -2.630 1.00 0.00 H new ATOM 0 HA3 GLY A 42 3.278 -6.934 -3.762 1.00 0.00 H new ATOM 575 N ILE A 43 0.190 -5.773 -3.470 1.00 0.00 N ATOM 576 CA ILE A 43 -0.676 -4.631 -3.104 1.00 0.00 C ATOM 577 C ILE A 43 -1.789 -5.176 -2.201 1.00 0.00 C ATOM 578 O ILE A 43 -2.685 -5.896 -2.658 1.00 0.00 O ATOM 579 CB ILE A 43 -1.270 -3.883 -4.363 1.00 0.00 C ATOM 580 CG1 ILE A 43 -0.119 -3.270 -5.217 1.00 0.00 C ATOM 581 CG2 ILE A 43 -2.294 -2.788 -3.943 1.00 0.00 C ATOM 582 CD1 ILE A 43 -0.570 -2.525 -6.460 1.00 0.00 C ATOM 0 H ILE A 43 -0.324 -6.561 -3.863 1.00 0.00 H new ATOM 0 HA ILE A 43 -0.083 -3.880 -2.581 1.00 0.00 H new ATOM 0 HB ILE A 43 -1.805 -4.613 -4.970 1.00 0.00 H new ATOM 0 HG12 ILE A 43 0.454 -2.587 -4.590 1.00 0.00 H new ATOM 0 HG13 ILE A 43 0.557 -4.071 -5.517 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -2.683 -2.293 -4.833 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -3.116 -3.249 -3.396 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -1.801 -2.054 -3.306 1.00 0.00 H new ATOM 0 HD11 ILE A 43 0.301 -2.136 -6.987 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -1.116 -3.205 -7.114 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -1.220 -1.698 -6.173 1.00 0.00 H new ATOM 594 N ARG A 44 -1.705 -4.835 -0.905 1.00 0.00 N ATOM 595 CA ARG A 44 -2.494 -5.486 0.152 1.00 0.00 C ATOM 596 C ARG A 44 -3.415 -4.460 0.829 1.00 0.00 C ATOM 597 O ARG A 44 -3.012 -3.809 1.799 1.00 0.00 O ATOM 598 CB ARG A 44 -1.513 -6.123 1.191 1.00 0.00 C ATOM 599 CG ARG A 44 -0.349 -6.952 0.580 1.00 0.00 C ATOM 600 CD ARG A 44 0.604 -7.541 1.644 1.00 0.00 C ATOM 601 NE ARG A 44 1.727 -8.299 1.044 1.00 0.00 N ATOM 602 CZ ARG A 44 1.645 -9.545 0.537 1.00 0.00 C ATOM 603 NH1 ARG A 44 0.486 -10.188 0.467 1.00 0.00 N ATOM 604 NH2 ARG A 44 2.733 -10.145 0.085 1.00 0.00 N ATOM 0 H ARG A 44 -1.088 -4.100 -0.561 1.00 0.00 H new ATOM 0 HA ARG A 44 -3.121 -6.268 -0.277 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -1.089 -5.326 1.802 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -2.085 -6.767 1.859 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -0.764 -7.765 -0.016 1.00 0.00 H new ATOM 0 HG3 ARG A 44 0.222 -6.319 -0.099 1.00 0.00 H new ATOM 0 HD2 ARG A 44 1.002 -6.733 2.257 1.00 0.00 H new ATOM 0 HD3 ARG A 44 0.041 -8.197 2.308 1.00 0.00 H new ATOM 0 HE ARG A 44 2.637 -7.840 1.012 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -0.367 -9.739 0.801 1.00 0.00 H new ATOM 0 HH12 ARG A 44 0.448 -11.131 0.079 1.00 0.00 H new ATOM 0 HH21 ARG A 44 3.632 -9.665 0.120 1.00 0.00 H new ATOM 0 HH22 ARG A 44 2.673 -11.088 -0.299 1.00 0.00 H new ATOM 618 N PHE A 45 -4.660 -4.336 0.340 1.00 0.00 N ATOM 619 CA PHE A 45 -5.644 -3.390 0.908 1.00 0.00 C ATOM 620 C PHE A 45 -6.061 -3.852 2.302 1.00 0.00 C ATOM 621 O PHE A 45 -6.303 -5.049 2.514 1.00 0.00 O ATOM 622 CB PHE A 45 -6.897 -3.255 0.009 1.00 0.00 C ATOM 623 CG PHE A 45 -6.639 -2.660 -1.374 1.00 0.00 C ATOM 624 CD1 PHE A 45 -6.589 -1.273 -1.553 1.00 0.00 C ATOM 625 CD2 PHE A 45 -6.459 -3.476 -2.492 1.00 0.00 C ATOM 626 CE1 PHE A 45 -6.362 -0.728 -2.804 1.00 0.00 C ATOM 627 CE2 PHE A 45 -6.233 -2.928 -3.740 1.00 0.00 C ATOM 628 CZ PHE A 45 -6.188 -1.557 -3.898 1.00 0.00 C ATOM 0 H PHE A 45 -5.012 -4.878 -0.449 1.00 0.00 H new ATOM 0 HA PHE A 45 -5.167 -2.412 0.967 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -7.345 -4.241 -0.114 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -7.630 -2.634 0.524 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -6.729 -0.620 -0.704 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -6.497 -4.550 -2.380 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -6.321 0.344 -2.927 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -6.091 -3.574 -4.594 1.00 0.00 H new ATOM 0 HZ PHE A 45 -6.017 -1.132 -4.876 1.00 0.00 H new ATOM 638 N ILE A 46 -6.122 -2.914 3.263 1.00 0.00 N ATOM 639 CA ILE A 46 -6.600 -3.208 4.614 1.00 0.00 C ATOM 640 C ILE A 46 -8.121 -3.359 4.570 1.00 0.00 C ATOM 641 O ILE A 46 -8.851 -2.363 4.590 1.00 0.00 O ATOM 642 CB ILE A 46 -6.176 -2.090 5.649 1.00 0.00 C ATOM 643 CG1 ILE A 46 -4.638 -1.818 5.556 1.00 0.00 C ATOM 644 CG2 ILE A 46 -6.590 -2.475 7.095 1.00 0.00 C ATOM 645 CD1 ILE A 46 -4.102 -0.742 6.501 1.00 0.00 C ATOM 0 H ILE A 46 -5.843 -1.943 3.122 1.00 0.00 H new ATOM 0 HA ILE A 46 -6.141 -4.136 4.956 1.00 0.00 H new ATOM 0 HB ILE A 46 -6.703 -1.171 5.393 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -4.109 -2.750 5.757 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -4.399 -1.530 4.532 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -6.285 -1.687 7.783 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -7.672 -2.600 7.143 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -6.104 -3.410 7.376 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -3.027 -0.633 6.356 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -4.595 0.207 6.289 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -4.301 -1.032 7.533 1.00 0.00 H new ATOM 657 N TYR A 47 -8.575 -4.611 4.403 1.00 0.00 N ATOM 658 CA TYR A 47 -9.998 -4.950 4.455 1.00 0.00 C ATOM 659 C TYR A 47 -10.387 -5.141 5.919 1.00 0.00 C ATOM 660 O TYR A 47 -9.690 -5.837 6.661 1.00 0.00 O ATOM 661 CB TYR A 47 -10.294 -6.241 3.638 1.00 0.00 C ATOM 662 CG TYR A 47 -9.954 -6.126 2.144 1.00 0.00 C ATOM 663 CD1 TYR A 47 -10.695 -5.289 1.310 1.00 0.00 C ATOM 664 CD2 TYR A 47 -8.898 -6.848 1.572 1.00 0.00 C ATOM 665 CE1 TYR A 47 -10.398 -5.171 -0.035 1.00 0.00 C ATOM 666 CE2 TYR A 47 -8.600 -6.734 0.226 1.00 0.00 C ATOM 667 CZ TYR A 47 -9.352 -5.891 -0.572 1.00 0.00 C ATOM 668 OH TYR A 47 -9.048 -5.762 -1.909 1.00 0.00 O ATOM 0 H TYR A 47 -7.966 -5.410 4.229 1.00 0.00 H new ATOM 0 HA TYR A 47 -10.585 -4.145 4.012 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -9.728 -7.068 4.067 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -11.350 -6.490 3.742 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -11.516 -4.722 1.723 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -8.307 -7.505 2.193 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -10.984 -4.517 -0.663 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -7.785 -7.300 -0.199 1.00 0.00 H new ATOM 0 HH TYR A 47 -8.344 -5.090 -2.021 1.00 0.00 H new ATOM 678 N THR A 48 -11.498 -4.531 6.310 1.00 0.00 N ATOM 679 CA THR A 48 -12.008 -4.575 7.679 1.00 0.00 C ATOM 680 C THR A 48 -12.802 -5.870 7.928 1.00 0.00 C ATOM 681 O THR A 48 -12.888 -6.747 7.055 1.00 0.00 O ATOM 682 CB THR A 48 -12.896 -3.320 7.944 1.00 0.00 C ATOM 683 OG1 THR A 48 -13.983 -3.297 6.996 1.00 0.00 O ATOM 684 CG2 THR A 48 -12.086 -2.007 7.846 1.00 0.00 C ATOM 0 H THR A 48 -12.081 -3.983 5.677 1.00 0.00 H new ATOM 0 HA THR A 48 -11.166 -4.567 8.371 1.00 0.00 H new ATOM 0 HB THR A 48 -13.284 -3.389 8.960 1.00 0.00 H new ATOM 0 HG1 THR A 48 -14.629 -2.608 7.256 1.00 0.00 H new ATOM 0 HG21 THR A 48 -12.743 -1.159 8.037 1.00 0.00 H new ATOM 0 HG22 THR A 48 -11.284 -2.018 8.584 1.00 0.00 H new ATOM 0 HG23 THR A 48 -11.659 -1.917 6.847 1.00 0.00 H new ATOM 692 N ARG A 49 -13.386 -5.977 9.127 1.00 0.00 N ATOM 693 CA ARG A 49 -14.261 -7.104 9.501 1.00 0.00 C ATOM 694 C ARG A 49 -15.599 -7.077 8.713 1.00 0.00 C ATOM 695 O ARG A 49 -16.326 -8.072 8.685 1.00 0.00 O ATOM 696 CB ARG A 49 -14.496 -7.092 11.038 1.00 0.00 C ATOM 697 CG ARG A 49 -15.154 -5.795 11.565 1.00 0.00 C ATOM 698 CD ARG A 49 -15.251 -5.731 13.100 1.00 0.00 C ATOM 699 NE ARG A 49 -15.897 -4.484 13.548 1.00 0.00 N ATOM 700 CZ ARG A 49 -15.805 -3.965 14.782 1.00 0.00 C ATOM 701 NH1 ARG A 49 -15.062 -4.546 15.719 1.00 0.00 N ATOM 702 NH2 ARG A 49 -16.456 -2.856 15.070 1.00 0.00 N ATOM 0 H ARG A 49 -13.268 -5.287 9.869 1.00 0.00 H new ATOM 0 HA ARG A 49 -13.765 -8.037 9.232 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -15.125 -7.941 11.305 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -13.540 -7.233 11.542 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -14.582 -4.938 11.210 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -16.155 -5.708 11.142 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -15.817 -6.587 13.466 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -14.253 -5.801 13.532 1.00 0.00 H new ATOM 0 HE ARG A 49 -16.459 -3.975 12.866 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -14.549 -5.402 15.506 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -15.005 -4.136 16.651 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -17.025 -2.399 14.357 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -16.391 -2.455 16.006 1.00 0.00 H new ATOM 716 N GLU A 50 -15.902 -5.935 8.057 1.00 0.00 N ATOM 717 CA GLU A 50 -17.058 -5.800 7.144 1.00 0.00 C ATOM 718 C GLU A 50 -16.665 -6.238 5.703 1.00 0.00 C ATOM 719 O GLU A 50 -17.531 -6.512 4.856 1.00 0.00 O ATOM 720 CB GLU A 50 -17.551 -4.323 7.149 1.00 0.00 C ATOM 721 CG GLU A 50 -18.869 -4.081 6.381 1.00 0.00 C ATOM 722 CD GLU A 50 -19.145 -2.595 6.102 1.00 0.00 C ATOM 723 OE1 GLU A 50 -18.695 -2.097 5.054 1.00 0.00 O ATOM 724 OE2 GLU A 50 -19.794 -1.916 6.930 1.00 0.00 O ATOM 0 H GLU A 50 -15.352 -5.081 8.146 1.00 0.00 H new ATOM 0 HA GLU A 50 -17.865 -6.448 7.487 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -17.684 -4.002 8.182 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -16.773 -3.693 6.717 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -18.835 -4.621 5.435 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -19.698 -4.496 6.955 1.00 0.00 H new ATOM 731 N GLY A 51 -15.346 -6.354 5.470 1.00 0.00 N ATOM 732 CA GLY A 51 -14.793 -6.584 4.131 1.00 0.00 C ATOM 733 C GLY A 51 -14.643 -5.302 3.320 1.00 0.00 C ATOM 734 O GLY A 51 -14.648 -5.330 2.086 1.00 0.00 O ATOM 0 H GLY A 51 -14.639 -6.291 6.203 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -13.819 -7.065 4.224 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -15.440 -7.276 3.591 1.00 0.00 H new ATOM 738 N ARG A 52 -14.494 -4.174 4.032 1.00 0.00 N ATOM 739 CA ARG A 52 -14.374 -2.837 3.419 1.00 0.00 C ATOM 740 C ARG A 52 -12.895 -2.409 3.401 1.00 0.00 C ATOM 741 O ARG A 52 -12.260 -2.413 4.457 1.00 0.00 O ATOM 742 CB ARG A 52 -15.207 -1.787 4.212 1.00 0.00 C ATOM 743 CG ARG A 52 -15.115 -0.349 3.641 1.00 0.00 C ATOM 744 CD ARG A 52 -15.796 0.706 4.525 1.00 0.00 C ATOM 745 NE ARG A 52 -17.215 0.406 4.774 1.00 0.00 N ATOM 746 CZ ARG A 52 -18.067 1.180 5.452 1.00 0.00 C ATOM 747 NH1 ARG A 52 -17.691 2.353 5.951 1.00 0.00 N ATOM 748 NH2 ARG A 52 -19.312 0.766 5.640 1.00 0.00 N ATOM 0 H ARG A 52 -14.453 -4.161 5.051 1.00 0.00 H new ATOM 0 HA ARG A 52 -14.758 -2.889 2.400 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -16.252 -2.098 4.220 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -14.869 -1.778 5.248 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -14.065 -0.083 3.515 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -15.570 -0.330 2.651 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -15.270 0.771 5.477 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -15.713 1.683 4.048 1.00 0.00 H new ATOM 0 HE ARG A 52 -17.580 -0.469 4.396 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -16.734 2.680 5.820 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -18.360 2.926 6.465 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -19.611 -0.136 5.268 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -19.971 1.349 6.156 1.00 0.00 H new ATOM 762 N PRO A 53 -12.314 -2.029 2.217 1.00 0.00 N ATOM 763 CA PRO A 53 -10.980 -1.403 2.169 1.00 0.00 C ATOM 764 C PRO A 53 -11.036 0.003 2.810 1.00 0.00 C ATOM 765 O PRO A 53 -11.895 0.831 2.458 1.00 0.00 O ATOM 766 CB PRO A 53 -10.637 -1.357 0.656 1.00 0.00 C ATOM 767 CG PRO A 53 -11.973 -1.366 -0.033 1.00 0.00 C ATOM 768 CD PRO A 53 -12.905 -2.171 0.856 1.00 0.00 C ATOM 0 HA PRO A 53 -10.218 -1.947 2.727 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -10.067 -0.462 0.405 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -10.032 -2.214 0.360 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -12.347 -0.351 -0.170 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -11.897 -1.814 -1.024 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -13.924 -1.785 0.821 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -12.949 -3.215 0.547 1.00 0.00 H new ATOM 776 N SER A 54 -10.108 0.253 3.746 1.00 0.00 N ATOM 777 CA SER A 54 -10.090 1.465 4.584 1.00 0.00 C ATOM 778 C SER A 54 -9.588 2.700 3.805 1.00 0.00 C ATOM 779 O SER A 54 -9.583 3.817 4.334 1.00 0.00 O ATOM 780 CB SER A 54 -9.188 1.201 5.812 1.00 0.00 C ATOM 781 OG SER A 54 -9.576 0.010 6.475 1.00 0.00 O ATOM 0 H SER A 54 -9.339 -0.387 3.946 1.00 0.00 H new ATOM 0 HA SER A 54 -11.109 1.685 4.901 1.00 0.00 H new ATOM 0 HB2 SER A 54 -8.148 1.124 5.495 1.00 0.00 H new ATOM 0 HB3 SER A 54 -9.249 2.043 6.502 1.00 0.00 H new ATOM 0 HG SER A 54 -9.307 -0.765 5.939 1.00 0.00 H new ATOM 787 N GLY A 55 -9.176 2.478 2.543 1.00 0.00 N ATOM 788 CA GLY A 55 -8.495 3.493 1.751 1.00 0.00 C ATOM 789 C GLY A 55 -6.985 3.468 1.977 1.00 0.00 C ATOM 790 O GLY A 55 -6.256 4.360 1.531 1.00 0.00 O ATOM 0 H GLY A 55 -9.310 1.592 2.055 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -8.707 3.333 0.694 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -8.885 4.478 2.009 1.00 0.00 H new ATOM 794 N GLU A 56 -6.533 2.462 2.745 1.00 0.00 N ATOM 795 CA GLU A 56 -5.116 2.178 2.979 1.00 0.00 C ATOM 796 C GLU A 56 -4.754 0.808 2.385 1.00 0.00 C ATOM 797 O GLU A 56 -5.607 -0.085 2.290 1.00 0.00 O ATOM 798 CB GLU A 56 -4.808 2.217 4.499 1.00 0.00 C ATOM 799 CG GLU A 56 -5.099 3.567 5.177 1.00 0.00 C ATOM 800 CD GLU A 56 -4.777 3.560 6.677 1.00 0.00 C ATOM 801 OE1 GLU A 56 -3.580 3.588 7.030 1.00 0.00 O ATOM 802 OE2 GLU A 56 -5.713 3.498 7.512 1.00 0.00 O ATOM 0 H GLU A 56 -7.157 1.815 3.227 1.00 0.00 H new ATOM 0 HA GLU A 56 -4.511 2.940 2.488 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.393 1.443 4.995 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -3.758 1.968 4.650 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -4.515 4.347 4.688 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -6.150 3.820 5.037 1.00 0.00 H new ATOM 809 N ALA A 57 -3.487 0.676 1.973 1.00 0.00 N ATOM 810 CA ALA A 57 -2.922 -0.572 1.428 1.00 0.00 C ATOM 811 C ALA A 57 -1.451 -0.698 1.824 1.00 0.00 C ATOM 812 O ALA A 57 -0.830 0.275 2.231 1.00 0.00 O ATOM 813 CB ALA A 57 -3.073 -0.617 -0.107 1.00 0.00 C ATOM 0 H ALA A 57 -2.814 1.441 2.008 1.00 0.00 H new ATOM 0 HA ALA A 57 -3.473 -1.414 1.847 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -2.649 -1.547 -0.487 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -4.129 -0.565 -0.370 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -2.547 0.229 -0.549 1.00 0.00 H new ATOM 819 N PHE A 58 -0.909 -1.908 1.741 1.00 0.00 N ATOM 820 CA PHE A 58 0.519 -2.169 1.893 1.00 0.00 C ATOM 821 C PHE A 58 1.074 -2.564 0.526 1.00 0.00 C ATOM 822 O PHE A 58 0.815 -3.671 0.043 1.00 0.00 O ATOM 823 CB PHE A 58 0.769 -3.288 2.938 1.00 0.00 C ATOM 824 CG PHE A 58 0.383 -2.894 4.361 1.00 0.00 C ATOM 825 CD1 PHE A 58 1.246 -2.116 5.132 1.00 0.00 C ATOM 826 CD2 PHE A 58 -0.823 -3.297 4.928 1.00 0.00 C ATOM 827 CE1 PHE A 58 0.914 -1.751 6.420 1.00 0.00 C ATOM 828 CE2 PHE A 58 -1.153 -2.930 6.220 1.00 0.00 C ATOM 829 CZ PHE A 58 -0.282 -2.159 6.965 1.00 0.00 C ATOM 0 H PHE A 58 -1.458 -2.749 1.563 1.00 0.00 H new ATOM 0 HA PHE A 58 1.026 -1.275 2.256 1.00 0.00 H new ATOM 0 HB2 PHE A 58 0.205 -4.175 2.650 1.00 0.00 H new ATOM 0 HB3 PHE A 58 1.824 -3.562 2.919 1.00 0.00 H new ATOM 0 HD1 PHE A 58 2.189 -1.794 4.714 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -1.508 -3.902 4.353 1.00 0.00 H new ATOM 0 HE1 PHE A 58 1.593 -1.145 7.001 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -2.093 -3.247 6.647 1.00 0.00 H new ATOM 0 HZ PHE A 58 -0.540 -1.876 7.975 1.00 0.00 H new ATOM 839 N VAL A 59 1.806 -1.639 -0.106 1.00 0.00 N ATOM 840 CA VAL A 59 2.471 -1.895 -1.377 1.00 0.00 C ATOM 841 C VAL A 59 3.884 -2.394 -1.053 1.00 0.00 C ATOM 842 O VAL A 59 4.772 -1.636 -0.649 1.00 0.00 O ATOM 843 CB VAL A 59 2.461 -0.616 -2.301 1.00 0.00 C ATOM 844 CG1 VAL A 59 3.384 -0.773 -3.535 1.00 0.00 C ATOM 845 CG2 VAL A 59 1.002 -0.293 -2.738 1.00 0.00 C ATOM 0 H VAL A 59 1.950 -0.695 0.253 1.00 0.00 H new ATOM 0 HA VAL A 59 1.942 -2.656 -1.951 1.00 0.00 H new ATOM 0 HB VAL A 59 2.857 0.217 -1.720 1.00 0.00 H new ATOM 0 HG11 VAL A 59 3.342 0.134 -4.139 1.00 0.00 H new ATOM 0 HG12 VAL A 59 4.409 -0.941 -3.204 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.052 -1.622 -4.132 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.000 0.591 -3.376 1.00 0.00 H new ATOM 0 HG22 VAL A 59 0.592 -1.139 -3.289 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.391 -0.104 -1.855 1.00 0.00 H new ATOM 855 N GLU A 60 4.029 -3.711 -1.179 1.00 0.00 N ATOM 856 CA GLU A 60 5.242 -4.459 -0.875 1.00 0.00 C ATOM 857 C GLU A 60 6.220 -4.281 -2.035 1.00 0.00 C ATOM 858 O GLU A 60 5.837 -4.434 -3.199 1.00 0.00 O ATOM 859 CB GLU A 60 4.848 -5.941 -0.683 1.00 0.00 C ATOM 860 CG GLU A 60 6.001 -6.919 -0.411 1.00 0.00 C ATOM 861 CD GLU A 60 5.499 -8.370 -0.314 1.00 0.00 C ATOM 862 OE1 GLU A 60 4.996 -8.894 -1.327 1.00 0.00 O ATOM 863 OE2 GLU A 60 5.563 -8.986 0.772 1.00 0.00 O ATOM 0 H GLU A 60 3.272 -4.309 -1.510 1.00 0.00 H new ATOM 0 HA GLU A 60 5.725 -4.104 0.036 1.00 0.00 H new ATOM 0 HB2 GLU A 60 4.143 -6.004 0.146 1.00 0.00 H new ATOM 0 HB3 GLU A 60 4.320 -6.274 -1.577 1.00 0.00 H new ATOM 0 HG2 GLU A 60 6.741 -6.841 -1.208 1.00 0.00 H new ATOM 0 HG3 GLU A 60 6.502 -6.643 0.517 1.00 0.00 H new ATOM 870 N LEU A 61 7.483 -3.969 -1.714 1.00 0.00 N ATOM 871 CA LEU A 61 8.471 -3.524 -2.710 1.00 0.00 C ATOM 872 C LEU A 61 9.666 -4.479 -2.759 1.00 0.00 C ATOM 873 O LEU A 61 9.996 -5.134 -1.767 1.00 0.00 O ATOM 874 CB LEU A 61 8.911 -2.066 -2.415 1.00 0.00 C ATOM 875 CG LEU A 61 7.767 -1.006 -2.528 1.00 0.00 C ATOM 876 CD1 LEU A 61 8.248 0.404 -2.187 1.00 0.00 C ATOM 877 CD2 LEU A 61 7.107 -1.042 -3.921 1.00 0.00 C ATOM 0 H LEU A 61 7.848 -4.017 -0.763 1.00 0.00 H new ATOM 0 HA LEU A 61 8.007 -3.540 -3.696 1.00 0.00 H new ATOM 0 HB2 LEU A 61 9.330 -2.023 -1.410 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.710 -1.795 -3.105 1.00 0.00 H new ATOM 0 HG LEU A 61 7.014 -1.276 -1.787 1.00 0.00 H new ATOM 0 HD11 LEU A 61 7.418 1.104 -2.280 1.00 0.00 H new ATOM 0 HD12 LEU A 61 8.625 0.422 -1.165 1.00 0.00 H new ATOM 0 HD13 LEU A 61 9.044 0.693 -2.873 1.00 0.00 H new ATOM 0 HD21 LEU A 61 6.316 -0.294 -3.968 1.00 0.00 H new ATOM 0 HD22 LEU A 61 7.855 -0.827 -4.684 1.00 0.00 H new ATOM 0 HD23 LEU A 61 6.683 -2.030 -4.097 1.00 0.00 H new ATOM 889 N GLU A 62 10.295 -4.537 -3.937 1.00 0.00 N ATOM 890 CA GLU A 62 11.408 -5.457 -4.246 1.00 0.00 C ATOM 891 C GLU A 62 12.690 -5.120 -3.455 1.00 0.00 C ATOM 892 O GLU A 62 13.423 -6.022 -3.019 1.00 0.00 O ATOM 893 CB GLU A 62 11.699 -5.403 -5.770 1.00 0.00 C ATOM 894 CG GLU A 62 12.696 -6.463 -6.286 1.00 0.00 C ATOM 895 CD GLU A 62 12.172 -7.908 -6.156 1.00 0.00 C ATOM 896 OE1 GLU A 62 12.400 -8.544 -5.106 1.00 0.00 O ATOM 897 OE2 GLU A 62 11.526 -8.412 -7.106 1.00 0.00 O ATOM 0 H GLU A 62 10.044 -3.936 -4.722 1.00 0.00 H new ATOM 0 HA GLU A 62 11.105 -6.461 -3.948 1.00 0.00 H new ATOM 0 HB2 GLU A 62 10.758 -5.520 -6.308 1.00 0.00 H new ATOM 0 HB3 GLU A 62 12.086 -4.414 -6.015 1.00 0.00 H new ATOM 0 HG2 GLU A 62 12.923 -6.259 -7.332 1.00 0.00 H new ATOM 0 HG3 GLU A 62 13.631 -6.372 -5.733 1.00 0.00 H new ATOM 904 N SER A 63 12.924 -3.819 -3.249 1.00 0.00 N ATOM 905 CA SER A 63 14.196 -3.309 -2.715 1.00 0.00 C ATOM 906 C SER A 63 13.947 -2.133 -1.757 1.00 0.00 C ATOM 907 O SER A 63 12.947 -1.424 -1.884 1.00 0.00 O ATOM 908 CB SER A 63 15.101 -2.874 -3.885 1.00 0.00 C ATOM 909 OG SER A 63 15.250 -3.904 -4.847 1.00 0.00 O ATOM 0 H SER A 63 12.239 -3.089 -3.447 1.00 0.00 H new ATOM 0 HA SER A 63 14.692 -4.100 -2.152 1.00 0.00 H new ATOM 0 HB2 SER A 63 14.678 -1.990 -4.362 1.00 0.00 H new ATOM 0 HB3 SER A 63 16.081 -2.591 -3.501 1.00 0.00 H new ATOM 0 HG SER A 63 15.828 -3.592 -5.574 1.00 0.00 H new ATOM 915 N GLU A 64 14.872 -1.953 -0.794 1.00 0.00 N ATOM 916 CA GLU A 64 14.809 -0.874 0.216 1.00 0.00 C ATOM 917 C GLU A 64 14.990 0.534 -0.409 1.00 0.00 C ATOM 918 O GLU A 64 14.496 1.528 0.140 1.00 0.00 O ATOM 919 CB GLU A 64 15.872 -1.142 1.319 1.00 0.00 C ATOM 920 CG GLU A 64 15.785 -0.222 2.553 1.00 0.00 C ATOM 921 CD GLU A 64 14.408 -0.245 3.242 1.00 0.00 C ATOM 922 OE1 GLU A 64 13.998 -1.315 3.731 1.00 0.00 O ATOM 923 OE2 GLU A 64 13.746 0.814 3.319 1.00 0.00 O ATOM 0 H GLU A 64 15.689 -2.555 -0.693 1.00 0.00 H new ATOM 0 HA GLU A 64 13.814 -0.881 0.660 1.00 0.00 H new ATOM 0 HB2 GLU A 64 15.776 -2.176 1.650 1.00 0.00 H new ATOM 0 HB3 GLU A 64 16.863 -1.039 0.878 1.00 0.00 H new ATOM 0 HG2 GLU A 64 16.547 -0.520 3.273 1.00 0.00 H new ATOM 0 HG3 GLU A 64 16.014 0.800 2.251 1.00 0.00 H new ATOM 930 N ASP A 65 15.681 0.606 -1.566 1.00 0.00 N ATOM 931 CA ASP A 65 15.853 1.883 -2.299 1.00 0.00 C ATOM 932 C ASP A 65 14.525 2.285 -2.973 1.00 0.00 C ATOM 933 O ASP A 65 14.204 3.465 -3.042 1.00 0.00 O ATOM 934 CB ASP A 65 17.032 1.829 -3.311 1.00 0.00 C ATOM 935 CG ASP A 65 16.846 0.792 -4.428 1.00 0.00 C ATOM 936 OD1 ASP A 65 17.155 -0.394 -4.201 1.00 0.00 O ATOM 937 OD2 ASP A 65 16.406 1.157 -5.543 1.00 0.00 O ATOM 0 H ASP A 65 16.126 -0.196 -2.012 1.00 0.00 H new ATOM 0 HA ASP A 65 16.119 2.656 -1.578 1.00 0.00 H new ATOM 0 HB2 ASP A 65 17.158 2.814 -3.760 1.00 0.00 H new ATOM 0 HB3 ASP A 65 17.952 1.606 -2.771 1.00 0.00 H new ATOM 942 N GLU A 66 13.769 1.291 -3.477 1.00 0.00 N ATOM 943 CA GLU A 66 12.361 1.497 -3.910 1.00 0.00 C ATOM 944 C GLU A 66 11.489 2.116 -2.792 1.00 0.00 C ATOM 945 O GLU A 66 10.645 2.977 -3.063 1.00 0.00 O ATOM 946 CB GLU A 66 11.717 0.162 -4.380 1.00 0.00 C ATOM 947 CG GLU A 66 12.478 -0.561 -5.512 1.00 0.00 C ATOM 948 CD GLU A 66 12.707 0.301 -6.771 1.00 0.00 C ATOM 949 OE1 GLU A 66 11.809 1.084 -7.146 1.00 0.00 O ATOM 950 OE2 GLU A 66 13.760 0.164 -7.421 1.00 0.00 O ATOM 0 H GLU A 66 14.104 0.335 -3.597 1.00 0.00 H new ATOM 0 HA GLU A 66 12.398 2.197 -4.745 1.00 0.00 H new ATOM 0 HB2 GLU A 66 11.642 -0.510 -3.525 1.00 0.00 H new ATOM 0 HB3 GLU A 66 10.700 0.364 -4.716 1.00 0.00 H new ATOM 0 HG2 GLU A 66 13.444 -0.892 -5.131 1.00 0.00 H new ATOM 0 HG3 GLU A 66 11.923 -1.456 -5.794 1.00 0.00 H new ATOM 957 N VAL A 67 11.723 1.665 -1.544 1.00 0.00 N ATOM 958 CA VAL A 67 10.932 2.073 -0.366 1.00 0.00 C ATOM 959 C VAL A 67 11.143 3.556 -0.025 1.00 0.00 C ATOM 960 O VAL A 67 10.171 4.300 0.098 1.00 0.00 O ATOM 961 CB VAL A 67 11.271 1.171 0.880 1.00 0.00 C ATOM 962 CG1 VAL A 67 10.497 1.612 2.143 1.00 0.00 C ATOM 963 CG2 VAL A 67 11.020 -0.313 0.562 1.00 0.00 C ATOM 0 H VAL A 67 12.469 1.005 -1.324 1.00 0.00 H new ATOM 0 HA VAL A 67 9.881 1.935 -0.621 1.00 0.00 H new ATOM 0 HB VAL A 67 12.331 1.300 1.098 1.00 0.00 H new ATOM 0 HG11 VAL A 67 10.762 0.962 2.977 1.00 0.00 H new ATOM 0 HG12 VAL A 67 10.757 2.642 2.388 1.00 0.00 H new ATOM 0 HG13 VAL A 67 9.425 1.543 1.956 1.00 0.00 H new ATOM 0 HG21 VAL A 67 11.260 -0.918 1.436 1.00 0.00 H new ATOM 0 HG22 VAL A 67 9.972 -0.456 0.298 1.00 0.00 H new ATOM 0 HG23 VAL A 67 11.649 -0.617 -0.274 1.00 0.00 H new ATOM 973 N LYS A 68 12.417 3.961 0.133 1.00 0.00 N ATOM 974 CA LYS A 68 12.779 5.363 0.463 1.00 0.00 C ATOM 975 C LYS A 68 12.189 6.370 -0.555 1.00 0.00 C ATOM 976 O LYS A 68 11.728 7.440 -0.170 1.00 0.00 O ATOM 977 CB LYS A 68 14.324 5.534 0.577 1.00 0.00 C ATOM 978 CG LYS A 68 15.108 5.386 -0.745 1.00 0.00 C ATOM 979 CD LYS A 68 16.639 5.468 -0.560 1.00 0.00 C ATOM 980 CE LYS A 68 17.210 4.305 0.275 1.00 0.00 C ATOM 981 NZ LYS A 68 18.682 4.408 0.454 1.00 0.00 N ATOM 0 H LYS A 68 13.220 3.339 0.038 1.00 0.00 H new ATOM 0 HA LYS A 68 12.337 5.585 1.435 1.00 0.00 H new ATOM 0 HB2 LYS A 68 14.533 6.519 0.995 1.00 0.00 H new ATOM 0 HB3 LYS A 68 14.702 4.799 1.288 1.00 0.00 H new ATOM 0 HG2 LYS A 68 14.855 4.430 -1.204 1.00 0.00 H new ATOM 0 HG3 LYS A 68 14.790 6.166 -1.437 1.00 0.00 H new ATOM 0 HD2 LYS A 68 17.118 5.474 -1.539 1.00 0.00 H new ATOM 0 HD3 LYS A 68 16.891 6.412 -0.077 1.00 0.00 H new ATOM 0 HE2 LYS A 68 16.728 4.291 1.252 1.00 0.00 H new ATOM 0 HE3 LYS A 68 16.971 3.360 -0.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 19.020 3.605 1.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 19.147 4.394 -0.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 18.911 5.297 0.942 1.00 0.00 H new ATOM 995 N LEU A 69 12.186 5.989 -1.846 1.00 0.00 N ATOM 996 CA LEU A 69 11.642 6.812 -2.946 1.00 0.00 C ATOM 997 C LEU A 69 10.101 6.865 -2.893 1.00 0.00 C ATOM 998 O LEU A 69 9.496 7.889 -3.216 1.00 0.00 O ATOM 999 CB LEU A 69 12.154 6.234 -4.293 1.00 0.00 C ATOM 1000 CG LEU A 69 13.694 6.374 -4.524 1.00 0.00 C ATOM 1001 CD1 LEU A 69 14.189 5.425 -5.628 1.00 0.00 C ATOM 1002 CD2 LEU A 69 14.070 7.850 -4.809 1.00 0.00 C ATOM 0 H LEU A 69 12.564 5.095 -2.159 1.00 0.00 H new ATOM 0 HA LEU A 69 11.988 7.841 -2.844 1.00 0.00 H new ATOM 0 HB2 LEU A 69 11.888 5.178 -4.344 1.00 0.00 H new ATOM 0 HB3 LEU A 69 11.632 6.734 -5.109 1.00 0.00 H new ATOM 0 HG LEU A 69 14.204 6.076 -3.608 1.00 0.00 H new ATOM 0 HD11 LEU A 69 15.264 5.550 -5.761 1.00 0.00 H new ATOM 0 HD12 LEU A 69 13.976 4.394 -5.344 1.00 0.00 H new ATOM 0 HD13 LEU A 69 13.679 5.657 -6.563 1.00 0.00 H new ATOM 0 HD21 LEU A 69 15.146 7.927 -4.967 1.00 0.00 H new ATOM 0 HD22 LEU A 69 13.546 8.193 -5.701 1.00 0.00 H new ATOM 0 HD23 LEU A 69 13.783 8.469 -3.959 1.00 0.00 H new ATOM 1014 N ALA A 70 9.491 5.732 -2.507 1.00 0.00 N ATOM 1015 CA ALA A 70 8.035 5.641 -2.254 1.00 0.00 C ATOM 1016 C ALA A 70 7.614 6.572 -1.089 1.00 0.00 C ATOM 1017 O ALA A 70 6.535 7.165 -1.126 1.00 0.00 O ATOM 1018 CB ALA A 70 7.620 4.186 -1.993 1.00 0.00 C ATOM 0 H ALA A 70 9.988 4.853 -2.361 1.00 0.00 H new ATOM 0 HA ALA A 70 7.510 5.980 -3.147 1.00 0.00 H new ATOM 0 HB1 ALA A 70 6.547 4.141 -1.809 1.00 0.00 H new ATOM 0 HB2 ALA A 70 7.865 3.576 -2.863 1.00 0.00 H new ATOM 0 HB3 ALA A 70 8.153 3.806 -1.122 1.00 0.00 H new ATOM 1024 N LEU A 71 8.478 6.696 -0.058 1.00 0.00 N ATOM 1025 CA LEU A 71 8.275 7.663 1.054 1.00 0.00 C ATOM 1026 C LEU A 71 8.346 9.116 0.544 1.00 0.00 C ATOM 1027 O LEU A 71 7.649 9.986 1.046 1.00 0.00 O ATOM 1028 CB LEU A 71 9.332 7.429 2.178 1.00 0.00 C ATOM 1029 CG LEU A 71 9.406 5.980 2.749 1.00 0.00 C ATOM 1030 CD1 LEU A 71 10.455 5.859 3.875 1.00 0.00 C ATOM 1031 CD2 LEU A 71 8.015 5.488 3.190 1.00 0.00 C ATOM 0 H LEU A 71 9.327 6.138 0.031 1.00 0.00 H new ATOM 0 HA LEU A 71 7.280 7.498 1.468 1.00 0.00 H new ATOM 0 HB2 LEU A 71 10.314 7.696 1.788 1.00 0.00 H new ATOM 0 HB3 LEU A 71 9.118 8.113 3.000 1.00 0.00 H new ATOM 0 HG LEU A 71 9.741 5.323 1.946 1.00 0.00 H new ATOM 0 HD11 LEU A 71 10.475 4.834 4.245 1.00 0.00 H new ATOM 0 HD12 LEU A 71 11.438 6.123 3.486 1.00 0.00 H new ATOM 0 HD13 LEU A 71 10.194 6.534 4.690 1.00 0.00 H new ATOM 0 HD21 LEU A 71 8.095 4.475 3.584 1.00 0.00 H new ATOM 0 HD22 LEU A 71 7.624 6.148 3.964 1.00 0.00 H new ATOM 0 HD23 LEU A 71 7.340 5.492 2.334 1.00 0.00 H new ATOM 1043 N LYS A 72 9.173 9.341 -0.485 1.00 0.00 N ATOM 1044 CA LYS A 72 9.327 10.671 -1.137 1.00 0.00 C ATOM 1045 C LYS A 72 8.151 10.939 -2.104 1.00 0.00 C ATOM 1046 O LYS A 72 7.895 12.082 -2.500 1.00 0.00 O ATOM 1047 CB LYS A 72 10.694 10.726 -1.870 1.00 0.00 C ATOM 1048 CG LYS A 72 11.894 10.476 -0.925 1.00 0.00 C ATOM 1049 CD LYS A 72 13.243 10.323 -1.665 1.00 0.00 C ATOM 1050 CE LYS A 72 14.359 9.808 -0.734 1.00 0.00 C ATOM 1051 NZ LYS A 72 14.519 10.653 0.483 1.00 0.00 N ATOM 0 H LYS A 72 9.759 8.615 -0.897 1.00 0.00 H new ATOM 0 HA LYS A 72 9.308 11.455 -0.380 1.00 0.00 H new ATOM 0 HB2 LYS A 72 10.704 9.982 -2.666 1.00 0.00 H new ATOM 0 HB3 LYS A 72 10.808 11.701 -2.344 1.00 0.00 H new ATOM 0 HG2 LYS A 72 11.968 11.303 -0.219 1.00 0.00 H new ATOM 0 HG3 LYS A 72 11.705 9.575 -0.342 1.00 0.00 H new ATOM 0 HD2 LYS A 72 13.122 9.634 -2.501 1.00 0.00 H new ATOM 0 HD3 LYS A 72 13.537 11.285 -2.085 1.00 0.00 H new ATOM 0 HE2 LYS A 72 14.135 8.784 -0.435 1.00 0.00 H new ATOM 0 HE3 LYS A 72 15.301 9.782 -1.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 15.374 10.361 0.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 14.607 11.651 0.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 13.688 10.538 1.097 1.00 0.00 H new ATOM 1065 N LYS A 73 7.444 9.856 -2.455 1.00 0.00 N ATOM 1066 CA LYS A 73 6.233 9.885 -3.290 1.00 0.00 C ATOM 1067 C LYS A 73 4.979 10.269 -2.449 1.00 0.00 C ATOM 1068 O LYS A 73 3.877 10.423 -2.995 1.00 0.00 O ATOM 1069 CB LYS A 73 6.079 8.487 -3.946 1.00 0.00 C ATOM 1070 CG LYS A 73 4.916 8.325 -4.932 1.00 0.00 C ATOM 1071 CD LYS A 73 4.799 6.885 -5.456 1.00 0.00 C ATOM 1072 CE LYS A 73 3.691 6.748 -6.498 1.00 0.00 C ATOM 1073 NZ LYS A 73 3.964 7.578 -7.701 1.00 0.00 N ATOM 0 H LYS A 73 7.703 8.914 -2.160 1.00 0.00 H new ATOM 0 HA LYS A 73 6.325 10.647 -4.064 1.00 0.00 H new ATOM 0 HB2 LYS A 73 7.006 8.250 -4.468 1.00 0.00 H new ATOM 0 HB3 LYS A 73 5.961 7.748 -3.153 1.00 0.00 H new ATOM 0 HG2 LYS A 73 3.984 8.609 -4.443 1.00 0.00 H new ATOM 0 HG3 LYS A 73 5.056 9.006 -5.772 1.00 0.00 H new ATOM 0 HD2 LYS A 73 5.749 6.579 -5.894 1.00 0.00 H new ATOM 0 HD3 LYS A 73 4.600 6.210 -4.623 1.00 0.00 H new ATOM 0 HE2 LYS A 73 3.594 5.703 -6.791 1.00 0.00 H new ATOM 0 HE3 LYS A 73 2.739 7.046 -6.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 3.343 7.276 -8.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 3.782 8.578 -7.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 4.958 7.461 -7.985 1.00 0.00 H new ATOM 1087 N ASP A 74 5.176 10.483 -1.122 1.00 0.00 N ATOM 1088 CA ASP A 74 4.089 10.842 -0.166 1.00 0.00 C ATOM 1089 C ASP A 74 3.397 12.181 -0.522 1.00 0.00 C ATOM 1090 O ASP A 74 2.318 12.498 -0.010 1.00 0.00 O ATOM 1091 CB ASP A 74 4.660 10.953 1.278 1.00 0.00 C ATOM 1092 CG ASP A 74 5.498 12.232 1.530 1.00 0.00 C ATOM 1093 OD1 ASP A 74 6.414 12.533 0.728 1.00 0.00 O ATOM 1094 OD2 ASP A 74 5.262 12.930 2.540 1.00 0.00 O ATOM 0 H ASP A 74 6.093 10.412 -0.682 1.00 0.00 H new ATOM 0 HA ASP A 74 3.347 10.047 -0.231 1.00 0.00 H new ATOM 0 HB2 ASP A 74 3.833 10.928 1.987 1.00 0.00 H new ATOM 0 HB3 ASP A 74 5.280 10.080 1.480 1.00 0.00 H new ATOM 1099 N ARG A 75 4.066 12.976 -1.361 1.00 0.00 N ATOM 1100 CA ARG A 75 3.658 14.343 -1.683 1.00 0.00 C ATOM 1101 C ARG A 75 2.642 14.364 -2.848 1.00 0.00 C ATOM 1102 O ARG A 75 1.705 15.175 -2.858 1.00 0.00 O ATOM 1103 CB ARG A 75 4.938 15.171 -2.016 1.00 0.00 C ATOM 1104 CG ARG A 75 4.794 16.684 -1.784 1.00 0.00 C ATOM 1105 CD ARG A 75 6.107 17.456 -1.954 1.00 0.00 C ATOM 1106 NE ARG A 75 5.944 18.864 -1.562 1.00 0.00 N ATOM 1107 CZ ARG A 75 6.935 19.741 -1.364 1.00 0.00 C ATOM 1108 NH1 ARG A 75 8.205 19.404 -1.579 1.00 0.00 N ATOM 1109 NH2 ARG A 75 6.645 20.963 -0.950 1.00 0.00 N ATOM 0 H ARG A 75 4.917 12.683 -1.841 1.00 0.00 H new ATOM 0 HA ARG A 75 3.152 14.790 -0.828 1.00 0.00 H new ATOM 0 HB2 ARG A 75 5.764 14.800 -1.409 1.00 0.00 H new ATOM 0 HB3 ARG A 75 5.206 14.999 -3.059 1.00 0.00 H new ATOM 0 HG2 ARG A 75 4.055 17.082 -2.480 1.00 0.00 H new ATOM 0 HG3 ARG A 75 4.409 16.854 -0.779 1.00 0.00 H new ATOM 0 HD2 ARG A 75 6.886 16.994 -1.348 1.00 0.00 H new ATOM 0 HD3 ARG A 75 6.435 17.399 -2.992 1.00 0.00 H new ATOM 0 HE ARG A 75 4.991 19.202 -1.429 1.00 0.00 H new ATOM 0 HH11 ARG A 75 8.436 18.464 -1.900 1.00 0.00 H new ATOM 0 HH12 ARG A 75 8.947 20.086 -1.423 1.00 0.00 H new ATOM 0 HH21 ARG A 75 5.674 21.229 -0.785 1.00 0.00 H new ATOM 0 HH22 ARG A 75 7.392 21.640 -0.796 1.00 0.00 H new ATOM 1123 N GLU A 76 2.869 13.462 -3.822 1.00 0.00 N ATOM 1124 CA GLU A 76 2.088 13.364 -5.071 1.00 0.00 C ATOM 1125 C GLU A 76 0.597 12.997 -4.861 1.00 0.00 C ATOM 1126 O GLU A 76 0.215 12.402 -3.846 1.00 0.00 O ATOM 1127 CB GLU A 76 2.765 12.328 -6.021 1.00 0.00 C ATOM 1128 CG GLU A 76 4.207 12.680 -6.452 1.00 0.00 C ATOM 1129 CD GLU A 76 4.289 14.018 -7.213 1.00 0.00 C ATOM 1130 OE1 GLU A 76 3.962 14.044 -8.419 1.00 0.00 O ATOM 1131 OE2 GLU A 76 4.664 15.047 -6.609 1.00 0.00 O ATOM 0 H GLU A 76 3.614 12.768 -3.762 1.00 0.00 H new ATOM 0 HA GLU A 76 2.087 14.359 -5.515 1.00 0.00 H new ATOM 0 HB2 GLU A 76 2.777 11.357 -5.525 1.00 0.00 H new ATOM 0 HB3 GLU A 76 2.151 12.222 -6.915 1.00 0.00 H new ATOM 0 HG2 GLU A 76 4.844 12.729 -5.569 1.00 0.00 H new ATOM 0 HG3 GLU A 76 4.598 11.883 -7.084 1.00 0.00 H new ATOM 1138 N THR A 77 -0.219 13.363 -5.866 1.00 0.00 N ATOM 1139 CA THR A 77 -1.660 13.079 -5.912 1.00 0.00 C ATOM 1140 C THR A 77 -1.925 11.882 -6.835 1.00 0.00 C ATOM 1141 O THR A 77 -1.347 11.803 -7.923 1.00 0.00 O ATOM 1142 CB THR A 77 -2.470 14.324 -6.423 1.00 0.00 C ATOM 1143 OG1 THR A 77 -1.958 14.784 -7.689 1.00 0.00 O ATOM 1144 CG2 THR A 77 -2.423 15.482 -5.422 1.00 0.00 C ATOM 0 H THR A 77 0.114 13.874 -6.683 1.00 0.00 H new ATOM 0 HA THR A 77 -1.990 12.846 -4.900 1.00 0.00 H new ATOM 0 HB THR A 77 -3.504 14.000 -6.538 1.00 0.00 H new ATOM 0 HG1 THR A 77 -2.477 15.559 -7.990 1.00 0.00 H new ATOM 0 HG21 THR A 77 -2.995 16.324 -5.812 1.00 0.00 H new ATOM 0 HG22 THR A 77 -2.852 15.160 -4.473 1.00 0.00 H new ATOM 0 HG23 THR A 77 -1.388 15.787 -5.267 1.00 0.00 H new ATOM 1152 N MET A 78 -2.759 10.936 -6.365 1.00 0.00 N ATOM 1153 CA MET A 78 -3.210 9.794 -7.187 1.00 0.00 C ATOM 1154 C MET A 78 -3.991 10.301 -8.419 1.00 0.00 C ATOM 1155 O MET A 78 -3.488 10.235 -9.543 1.00 0.00 O ATOM 1156 CB MET A 78 -4.060 8.811 -6.348 1.00 0.00 C ATOM 1157 CG MET A 78 -4.387 7.479 -7.028 1.00 0.00 C ATOM 1158 SD MET A 78 -5.362 6.406 -5.949 1.00 0.00 S ATOM 1159 CE MET A 78 -5.486 4.917 -6.930 1.00 0.00 C ATOM 0 H MET A 78 -3.136 10.939 -5.417 1.00 0.00 H new ATOM 0 HA MET A 78 -2.334 9.250 -7.539 1.00 0.00 H new ATOM 0 HB2 MET A 78 -3.532 8.604 -5.417 1.00 0.00 H new ATOM 0 HB3 MET A 78 -4.996 9.303 -6.081 1.00 0.00 H new ATOM 0 HG2 MET A 78 -4.937 7.666 -7.950 1.00 0.00 H new ATOM 0 HG3 MET A 78 -3.462 6.974 -7.305 1.00 0.00 H new ATOM 0 HE1 MET A 78 -5.681 4.066 -6.277 1.00 0.00 H new ATOM 0 HE2 MET A 78 -6.302 5.020 -7.646 1.00 0.00 H new ATOM 0 HE3 MET A 78 -4.551 4.756 -7.466 1.00 0.00 H new ATOM 1169 N GLY A 79 -5.202 10.834 -8.177 1.00 0.00 N ATOM 1170 CA GLY A 79 -6.013 11.501 -9.206 1.00 0.00 C ATOM 1171 C GLY A 79 -6.323 12.946 -8.815 1.00 0.00 C ATOM 1172 O GLY A 79 -6.268 13.854 -9.651 1.00 0.00 O ATOM 0 H GLY A 79 -5.645 10.813 -7.259 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -5.482 11.485 -10.158 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -6.944 10.953 -9.351 1.00 0.00 H new ATOM 1176 N HIS A 80 -6.622 13.147 -7.520 1.00 0.00 N ATOM 1177 CA HIS A 80 -6.956 14.469 -6.951 1.00 0.00 C ATOM 1178 C HIS A 80 -6.523 14.512 -5.479 1.00 0.00 C ATOM 1179 O HIS A 80 -5.915 15.493 -5.024 1.00 0.00 O ATOM 1180 CB HIS A 80 -8.477 14.752 -7.095 1.00 0.00 C ATOM 1181 CG HIS A 80 -8.929 16.077 -6.530 1.00 0.00 C ATOM 1182 ND1 HIS A 80 -9.890 16.190 -5.550 1.00 0.00 N ATOM 1183 CD2 HIS A 80 -8.543 17.341 -6.815 1.00 0.00 C ATOM 1184 CE1 HIS A 80 -10.072 17.463 -5.253 1.00 0.00 C ATOM 1185 NE2 HIS A 80 -9.268 18.182 -6.011 1.00 0.00 N ATOM 0 H HIS A 80 -6.639 12.394 -6.833 1.00 0.00 H new ATOM 0 HA HIS A 80 -6.422 15.246 -7.497 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -8.741 14.714 -8.152 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -9.030 13.954 -6.599 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -7.800 17.634 -7.542 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -10.761 17.849 -4.516 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -9.197 19.199 -6.001 1.00 0.00 H new ATOM 1194 N ARG A 81 -6.866 13.445 -4.743 1.00 0.00 N ATOM 1195 CA ARG A 81 -6.427 13.230 -3.353 1.00 0.00 C ATOM 1196 C ARG A 81 -4.887 13.135 -3.274 1.00 0.00 C ATOM 1197 O ARG A 81 -4.256 12.503 -4.134 1.00 0.00 O ATOM 1198 CB ARG A 81 -7.058 11.914 -2.806 1.00 0.00 C ATOM 1199 CG ARG A 81 -6.577 11.482 -1.399 1.00 0.00 C ATOM 1200 CD ARG A 81 -7.242 12.243 -0.241 1.00 0.00 C ATOM 1201 NE ARG A 81 -8.660 11.862 -0.081 1.00 0.00 N ATOM 1202 CZ ARG A 81 -9.345 11.882 1.075 1.00 0.00 C ATOM 1203 NH1 ARG A 81 -8.765 12.264 2.210 1.00 0.00 N ATOM 1204 NH2 ARG A 81 -10.616 11.513 1.093 1.00 0.00 N ATOM 0 H ARG A 81 -7.463 12.698 -5.098 1.00 0.00 H new ATOM 0 HA ARG A 81 -6.755 14.077 -2.750 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -8.141 12.034 -2.780 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -6.843 11.109 -3.508 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -6.767 10.416 -1.274 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -5.498 11.622 -1.338 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -6.704 12.040 0.685 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -7.171 13.316 -0.422 1.00 0.00 H new ATOM 0 HE ARG A 81 -9.160 11.559 -0.916 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -7.785 12.548 2.212 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -9.300 12.273 3.078 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -11.073 11.215 0.231 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -11.139 11.527 1.969 1.00 0.00 H new ATOM 1218 N TYR A 82 -4.311 13.742 -2.218 1.00 0.00 N ATOM 1219 CA TYR A 82 -2.877 13.638 -1.916 1.00 0.00 C ATOM 1220 C TYR A 82 -2.658 12.317 -1.186 1.00 0.00 C ATOM 1221 O TYR A 82 -3.322 12.049 -0.173 1.00 0.00 O ATOM 1222 CB TYR A 82 -2.386 14.818 -1.040 1.00 0.00 C ATOM 1223 CG TYR A 82 -2.378 16.178 -1.750 1.00 0.00 C ATOM 1224 CD1 TYR A 82 -3.545 16.930 -1.908 1.00 0.00 C ATOM 1225 CD2 TYR A 82 -1.193 16.707 -2.262 1.00 0.00 C ATOM 1226 CE1 TYR A 82 -3.519 18.160 -2.543 1.00 0.00 C ATOM 1227 CE2 TYR A 82 -1.164 17.927 -2.896 1.00 0.00 C ATOM 1228 CZ TYR A 82 -2.325 18.653 -3.037 1.00 0.00 C ATOM 1229 OH TYR A 82 -2.291 19.882 -3.662 1.00 0.00 O ATOM 0 H TYR A 82 -4.829 14.317 -1.553 1.00 0.00 H new ATOM 0 HA TYR A 82 -2.306 13.675 -2.844 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -3.021 14.887 -0.157 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -1.377 14.599 -0.690 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -4.481 16.546 -1.529 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -0.277 16.145 -2.158 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -4.428 18.733 -2.652 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -0.233 18.314 -3.282 1.00 0.00 H new ATOM 0 HH TYR A 82 -1.374 20.078 -3.948 1.00 0.00 H new ATOM 1239 N VAL A 83 -1.746 11.496 -1.710 1.00 0.00 N ATOM 1240 CA VAL A 83 -1.506 10.143 -1.222 1.00 0.00 C ATOM 1241 C VAL A 83 -0.184 10.122 -0.467 1.00 0.00 C ATOM 1242 O VAL A 83 0.888 10.204 -1.072 1.00 0.00 O ATOM 1243 CB VAL A 83 -1.494 9.107 -2.397 1.00 0.00 C ATOM 1244 CG1 VAL A 83 -1.037 7.711 -1.925 1.00 0.00 C ATOM 1245 CG2 VAL A 83 -2.882 9.031 -3.055 1.00 0.00 C ATOM 0 H VAL A 83 -1.148 11.758 -2.494 1.00 0.00 H new ATOM 0 HA VAL A 83 -2.316 9.855 -0.552 1.00 0.00 H new ATOM 0 HB VAL A 83 -0.771 9.452 -3.136 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -1.042 7.022 -2.769 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -0.028 7.777 -1.517 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -1.717 7.347 -1.155 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -2.859 8.307 -3.870 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -3.619 8.721 -2.315 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -3.153 10.011 -3.448 1.00 0.00 H new ATOM 1255 N GLU A 84 -0.287 10.011 0.858 1.00 0.00 N ATOM 1256 CA GLU A 84 0.855 10.014 1.756 1.00 0.00 C ATOM 1257 C GLU A 84 1.243 8.576 2.100 1.00 0.00 C ATOM 1258 O GLU A 84 0.385 7.721 2.365 1.00 0.00 O ATOM 1259 CB GLU A 84 0.550 10.859 3.013 1.00 0.00 C ATOM 1260 CG GLU A 84 0.138 12.310 2.688 1.00 0.00 C ATOM 1261 CD GLU A 84 0.215 13.251 3.897 1.00 0.00 C ATOM 1262 OE1 GLU A 84 1.308 13.797 4.158 1.00 0.00 O ATOM 1263 OE2 GLU A 84 -0.801 13.434 4.598 1.00 0.00 O ATOM 0 H GLU A 84 -1.182 9.915 1.339 1.00 0.00 H new ATOM 0 HA GLU A 84 1.710 10.478 1.263 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -0.249 10.380 3.579 1.00 0.00 H new ATOM 0 HB3 GLU A 84 1.431 10.874 3.655 1.00 0.00 H new ATOM 0 HG2 GLU A 84 0.782 12.694 1.897 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -0.880 12.312 2.300 1.00 0.00 H new ATOM 1270 N VAL A 85 2.553 8.344 2.100 1.00 0.00 N ATOM 1271 CA VAL A 85 3.159 7.013 2.100 1.00 0.00 C ATOM 1272 C VAL A 85 4.145 6.924 3.273 1.00 0.00 C ATOM 1273 O VAL A 85 5.111 7.695 3.346 1.00 0.00 O ATOM 1274 CB VAL A 85 3.890 6.719 0.733 1.00 0.00 C ATOM 1275 CG1 VAL A 85 4.520 5.310 0.733 1.00 0.00 C ATOM 1276 CG2 VAL A 85 2.929 6.902 -0.476 1.00 0.00 C ATOM 0 H VAL A 85 3.242 9.096 2.100 1.00 0.00 H new ATOM 0 HA VAL A 85 2.378 6.261 2.215 1.00 0.00 H new ATOM 0 HB VAL A 85 4.694 7.447 0.627 1.00 0.00 H new ATOM 0 HG11 VAL A 85 5.017 5.134 -0.221 1.00 0.00 H new ATOM 0 HG12 VAL A 85 5.248 5.237 1.541 1.00 0.00 H new ATOM 0 HG13 VAL A 85 3.740 4.563 0.879 1.00 0.00 H new ATOM 0 HG21 VAL A 85 3.465 6.692 -1.402 1.00 0.00 H new ATOM 0 HG22 VAL A 85 2.088 6.215 -0.379 1.00 0.00 H new ATOM 0 HG23 VAL A 85 2.560 7.927 -0.495 1.00 0.00 H new ATOM 1286 N PHE A 86 3.878 5.986 4.191 1.00 0.00 N ATOM 1287 CA PHE A 86 4.628 5.806 5.442 1.00 0.00 C ATOM 1288 C PHE A 86 5.321 4.439 5.406 1.00 0.00 C ATOM 1289 O PHE A 86 4.744 3.475 4.900 1.00 0.00 O ATOM 1290 CB PHE A 86 3.650 5.887 6.651 1.00 0.00 C ATOM 1291 CG PHE A 86 2.766 7.140 6.642 1.00 0.00 C ATOM 1292 CD1 PHE A 86 3.200 8.334 7.217 1.00 0.00 C ATOM 1293 CD2 PHE A 86 1.500 7.122 6.040 1.00 0.00 C ATOM 1294 CE1 PHE A 86 2.402 9.464 7.194 1.00 0.00 C ATOM 1295 CE2 PHE A 86 0.709 8.253 6.018 1.00 0.00 C ATOM 1296 CZ PHE A 86 1.160 9.421 6.594 1.00 0.00 C ATOM 0 H PHE A 86 3.117 5.315 4.082 1.00 0.00 H new ATOM 0 HA PHE A 86 5.378 6.590 5.549 1.00 0.00 H new ATOM 0 HB2 PHE A 86 3.013 5.003 6.652 1.00 0.00 H new ATOM 0 HB3 PHE A 86 4.226 5.866 7.576 1.00 0.00 H new ATOM 0 HD1 PHE A 86 4.172 8.377 7.686 1.00 0.00 H new ATOM 0 HD2 PHE A 86 1.139 6.211 5.587 1.00 0.00 H new ATOM 0 HE1 PHE A 86 2.751 10.381 7.646 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -0.264 8.223 5.549 1.00 0.00 H new ATOM 0 HZ PHE A 86 0.540 10.305 6.576 1.00 0.00 H new ATOM 1306 N LYS A 87 6.564 4.372 5.907 1.00 0.00 N ATOM 1307 CA LYS A 87 7.303 3.103 5.995 1.00 0.00 C ATOM 1308 C LYS A 87 6.581 2.113 6.916 1.00 0.00 C ATOM 1309 O LYS A 87 6.283 2.421 8.078 1.00 0.00 O ATOM 1310 CB LYS A 87 8.773 3.318 6.454 1.00 0.00 C ATOM 1311 CG LYS A 87 9.517 2.004 6.828 1.00 0.00 C ATOM 1312 CD LYS A 87 11.047 2.150 6.879 1.00 0.00 C ATOM 1313 CE LYS A 87 11.649 2.384 5.490 1.00 0.00 C ATOM 1314 NZ LYS A 87 13.126 2.421 5.516 1.00 0.00 N ATOM 0 H LYS A 87 7.078 5.181 6.257 1.00 0.00 H new ATOM 0 HA LYS A 87 7.337 2.677 4.992 1.00 0.00 H new ATOM 0 HB2 LYS A 87 9.322 3.820 5.657 1.00 0.00 H new ATOM 0 HB3 LYS A 87 8.780 3.985 7.316 1.00 0.00 H new ATOM 0 HG2 LYS A 87 9.162 1.660 7.799 1.00 0.00 H new ATOM 0 HG3 LYS A 87 9.259 1.232 6.103 1.00 0.00 H new ATOM 0 HD2 LYS A 87 11.310 2.982 7.533 1.00 0.00 H new ATOM 0 HD3 LYS A 87 11.482 1.251 7.316 1.00 0.00 H new ATOM 0 HE2 LYS A 87 11.320 1.593 4.816 1.00 0.00 H new ATOM 0 HE3 LYS A 87 11.272 3.324 5.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 13.452 3.395 5.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 13.465 2.096 6.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 13.502 1.799 4.772 1.00 0.00 H new ATOM 1328 N SER A 88 6.275 0.949 6.346 1.00 0.00 N ATOM 1329 CA SER A 88 5.783 -0.203 7.080 1.00 0.00 C ATOM 1330 C SER A 88 6.871 -1.291 7.070 1.00 0.00 C ATOM 1331 O SER A 88 7.992 -1.080 6.588 1.00 0.00 O ATOM 1332 CB SER A 88 4.443 -0.689 6.461 1.00 0.00 C ATOM 1333 OG SER A 88 4.571 -0.974 5.085 1.00 0.00 O ATOM 0 H SER A 88 6.365 0.783 5.344 1.00 0.00 H new ATOM 0 HA SER A 88 5.574 0.055 8.118 1.00 0.00 H new ATOM 0 HB2 SER A 88 4.103 -1.582 6.986 1.00 0.00 H new ATOM 0 HB3 SER A 88 3.679 0.075 6.604 1.00 0.00 H new ATOM 0 HG SER A 88 5.515 -0.921 4.826 1.00 0.00 H new ATOM 1339 N ASN A 89 6.503 -2.460 7.573 1.00 0.00 N ATOM 1340 CA ASN A 89 7.414 -3.597 7.770 1.00 0.00 C ATOM 1341 C ASN A 89 6.633 -4.873 7.513 1.00 0.00 C ATOM 1342 O ASN A 89 5.405 -4.839 7.392 1.00 0.00 O ATOM 1343 CB ASN A 89 8.026 -3.604 9.210 1.00 0.00 C ATOM 1344 CG ASN A 89 9.034 -2.474 9.447 1.00 0.00 C ATOM 1345 OD1 ASN A 89 8.667 -1.376 9.864 1.00 0.00 O ATOM 1346 ND2 ASN A 89 10.315 -2.734 9.183 1.00 0.00 N ATOM 0 H ASN A 89 5.545 -2.657 7.864 1.00 0.00 H new ATOM 0 HA ASN A 89 8.250 -3.516 7.076 1.00 0.00 H new ATOM 0 HB2 ASN A 89 7.221 -3.522 9.940 1.00 0.00 H new ATOM 0 HB3 ASN A 89 8.517 -4.562 9.384 1.00 0.00 H new ATOM 0 HD21 ASN A 89 11.022 -2.013 9.326 1.00 0.00 H new ATOM 0 HD22 ASN A 89 10.588 -3.654 8.838 1.00 0.00 H new ATOM 1353 N ASN A 90 7.350 -5.996 7.424 1.00 0.00 N ATOM 1354 CA ASN A 90 6.738 -7.334 7.342 1.00 0.00 C ATOM 1355 C ASN A 90 5.905 -7.586 8.609 1.00 0.00 C ATOM 1356 O ASN A 90 4.761 -8.010 8.526 1.00 0.00 O ATOM 1357 CB ASN A 90 7.828 -8.434 7.158 1.00 0.00 C ATOM 1358 CG ASN A 90 7.303 -9.883 7.077 1.00 0.00 C ATOM 1359 OD1 ASN A 90 6.089 -10.089 6.568 1.00 0.00 O flip ATOM 1360 ND2 ASN A 90 7.996 -10.823 7.478 1.00 0.00 N flip ATOM 0 H ASN A 90 8.370 -6.009 7.406 1.00 0.00 H new ATOM 0 HA ASN A 90 6.084 -7.378 6.471 1.00 0.00 H new ATOM 0 HB2 ASN A 90 8.388 -8.218 6.248 1.00 0.00 H new ATOM 0 HB3 ASN A 90 8.531 -8.367 7.988 1.00 0.00 H new ATOM 0 HD21 ASN A 90 8.923 -10.645 7.864 1.00 0.00 H new ATOM 0 HD22 ASN A 90 7.642 -11.778 7.423 1.00 0.00 H new ATOM 1367 N VAL A 91 6.488 -7.230 9.771 1.00 0.00 N ATOM 1368 CA VAL A 91 5.834 -7.362 11.091 1.00 0.00 C ATOM 1369 C VAL A 91 4.542 -6.522 11.147 1.00 0.00 C ATOM 1370 O VAL A 91 3.486 -7.018 11.571 1.00 0.00 O ATOM 1371 CB VAL A 91 6.799 -6.929 12.261 1.00 0.00 C ATOM 1372 CG1 VAL A 91 6.141 -7.172 13.643 1.00 0.00 C ATOM 1373 CG2 VAL A 91 8.172 -7.646 12.167 1.00 0.00 C ATOM 0 H VAL A 91 7.430 -6.841 9.822 1.00 0.00 H new ATOM 0 HA VAL A 91 5.584 -8.415 11.223 1.00 0.00 H new ATOM 0 HB VAL A 91 6.981 -5.860 12.154 1.00 0.00 H new ATOM 0 HG11 VAL A 91 6.828 -6.865 14.432 1.00 0.00 H new ATOM 0 HG12 VAL A 91 5.222 -6.591 13.716 1.00 0.00 H new ATOM 0 HG13 VAL A 91 5.910 -8.231 13.755 1.00 0.00 H new ATOM 0 HG21 VAL A 91 8.809 -7.322 12.990 1.00 0.00 H new ATOM 0 HG22 VAL A 91 8.024 -8.724 12.226 1.00 0.00 H new ATOM 0 HG23 VAL A 91 8.649 -7.396 11.219 1.00 0.00 H new ATOM 1383 N GLU A 92 4.640 -5.258 10.672 1.00 0.00 N ATOM 1384 CA GLU A 92 3.510 -4.312 10.699 1.00 0.00 C ATOM 1385 C GLU A 92 2.366 -4.799 9.786 1.00 0.00 C ATOM 1386 O GLU A 92 1.239 -4.951 10.249 1.00 0.00 O ATOM 1387 CB GLU A 92 3.927 -2.873 10.288 1.00 0.00 C ATOM 1388 CG GLU A 92 2.758 -1.858 10.370 1.00 0.00 C ATOM 1389 CD GLU A 92 3.149 -0.418 10.027 1.00 0.00 C ATOM 1390 OE1 GLU A 92 4.032 0.138 10.708 1.00 0.00 O ATOM 1391 OE2 GLU A 92 2.547 0.184 9.108 1.00 0.00 O ATOM 0 H GLU A 92 5.493 -4.874 10.266 1.00 0.00 H new ATOM 0 HA GLU A 92 3.164 -4.275 11.732 1.00 0.00 H new ATOM 0 HB2 GLU A 92 4.739 -2.537 10.934 1.00 0.00 H new ATOM 0 HB3 GLU A 92 4.316 -2.890 9.270 1.00 0.00 H new ATOM 0 HG2 GLU A 92 1.966 -2.178 9.693 1.00 0.00 H new ATOM 0 HG3 GLU A 92 2.344 -1.879 11.378 1.00 0.00 H new ATOM 1398 N MET A 93 2.685 -5.078 8.500 1.00 0.00 N ATOM 1399 CA MET A 93 1.671 -5.411 7.484 1.00 0.00 C ATOM 1400 C MET A 93 0.908 -6.696 7.845 1.00 0.00 C ATOM 1401 O MET A 93 -0.301 -6.778 7.630 1.00 0.00 O ATOM 1402 CB MET A 93 2.297 -5.503 6.061 1.00 0.00 C ATOM 1403 CG MET A 93 3.191 -6.710 5.778 1.00 0.00 C ATOM 1404 SD MET A 93 3.721 -6.749 4.054 1.00 0.00 S ATOM 1405 CE MET A 93 4.693 -8.247 4.009 1.00 0.00 C ATOM 0 H MET A 93 3.641 -5.078 8.145 1.00 0.00 H new ATOM 0 HA MET A 93 0.947 -4.596 7.471 1.00 0.00 H new ATOM 0 HB2 MET A 93 1.486 -5.503 5.333 1.00 0.00 H new ATOM 0 HB3 MET A 93 2.881 -4.599 5.888 1.00 0.00 H new ATOM 0 HG2 MET A 93 4.065 -6.677 6.428 1.00 0.00 H new ATOM 0 HG3 MET A 93 2.652 -7.627 6.015 1.00 0.00 H new ATOM 0 HE1 MET A 93 5.740 -7.996 3.837 1.00 0.00 H new ATOM 0 HE2 MET A 93 4.597 -8.772 4.960 1.00 0.00 H new ATOM 0 HE3 MET A 93 4.336 -8.888 3.203 1.00 0.00 H new ATOM 1415 N ASP A 94 1.623 -7.684 8.417 1.00 0.00 N ATOM 1416 CA ASP A 94 1.009 -8.943 8.886 1.00 0.00 C ATOM 1417 C ASP A 94 -0.005 -8.667 10.002 1.00 0.00 C ATOM 1418 O ASP A 94 -1.125 -9.173 9.966 1.00 0.00 O ATOM 1419 CB ASP A 94 2.082 -9.947 9.386 1.00 0.00 C ATOM 1420 CG ASP A 94 3.023 -10.485 8.292 1.00 0.00 C ATOM 1421 OD1 ASP A 94 2.653 -10.489 7.091 1.00 0.00 O ATOM 1422 OD2 ASP A 94 4.134 -10.938 8.634 1.00 0.00 O ATOM 0 H ASP A 94 2.631 -7.634 8.566 1.00 0.00 H new ATOM 0 HA ASP A 94 0.493 -9.390 8.037 1.00 0.00 H new ATOM 0 HB2 ASP A 94 2.682 -9.462 10.156 1.00 0.00 H new ATOM 0 HB3 ASP A 94 1.578 -10.790 9.859 1.00 0.00 H new ATOM 1427 N TRP A 95 0.408 -7.822 10.961 1.00 0.00 N ATOM 1428 CA TRP A 95 -0.399 -7.473 12.140 1.00 0.00 C ATOM 1429 C TRP A 95 -1.690 -6.732 11.748 1.00 0.00 C ATOM 1430 O TRP A 95 -2.787 -7.156 12.110 1.00 0.00 O ATOM 1431 CB TRP A 95 0.446 -6.619 13.135 1.00 0.00 C ATOM 1432 CG TRP A 95 -0.339 -6.060 14.298 1.00 0.00 C ATOM 1433 CD1 TRP A 95 -0.581 -4.740 14.573 1.00 0.00 C ATOM 1434 CD2 TRP A 95 -1.018 -6.812 15.319 1.00 0.00 C ATOM 1435 NE1 TRP A 95 -1.351 -4.630 15.697 1.00 0.00 N ATOM 1436 CE2 TRP A 95 -1.633 -5.886 16.173 1.00 0.00 C ATOM 1437 CE3 TRP A 95 -1.163 -8.180 15.587 1.00 0.00 C ATOM 1438 CZ2 TRP A 95 -2.375 -6.277 17.282 1.00 0.00 C ATOM 1439 CZ3 TRP A 95 -1.897 -8.568 16.690 1.00 0.00 C ATOM 1440 CH2 TRP A 95 -2.501 -7.621 17.523 1.00 0.00 C ATOM 0 H TRP A 95 1.317 -7.359 10.939 1.00 0.00 H new ATOM 0 HA TRP A 95 -0.694 -8.401 12.630 1.00 0.00 H new ATOM 0 HB2 TRP A 95 1.259 -7.233 13.522 1.00 0.00 H new ATOM 0 HB3 TRP A 95 0.902 -5.793 12.590 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -0.217 -3.909 13.988 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -1.666 -3.754 16.115 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -0.709 -8.918 14.942 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -2.836 -5.547 17.931 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -2.006 -9.619 16.913 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -3.078 -7.955 18.373 1.00 0.00 H new ATOM 1451 N VAL A 96 -1.537 -5.648 10.980 1.00 0.00 N ATOM 1452 CA VAL A 96 -2.631 -4.705 10.676 1.00 0.00 C ATOM 1453 C VAL A 96 -3.709 -5.367 9.793 1.00 0.00 C ATOM 1454 O VAL A 96 -4.905 -5.141 9.995 1.00 0.00 O ATOM 1455 CB VAL A 96 -2.076 -3.403 9.989 1.00 0.00 C ATOM 1456 CG1 VAL A 96 -3.208 -2.385 9.693 1.00 0.00 C ATOM 1457 CG2 VAL A 96 -0.961 -2.761 10.855 1.00 0.00 C ATOM 0 H VAL A 96 -0.649 -5.394 10.547 1.00 0.00 H new ATOM 0 HA VAL A 96 -3.096 -4.422 11.621 1.00 0.00 H new ATOM 0 HB VAL A 96 -1.643 -3.692 9.031 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -2.786 -1.499 9.219 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -3.941 -2.839 9.026 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -3.694 -2.100 10.626 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -0.590 -1.862 10.363 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -1.365 -2.499 11.833 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -0.143 -3.470 10.979 1.00 0.00 H new ATOM 1467 N LEU A 97 -3.273 -6.212 8.843 1.00 0.00 N ATOM 1468 CA LEU A 97 -4.190 -6.947 7.950 1.00 0.00 C ATOM 1469 C LEU A 97 -4.922 -8.075 8.706 1.00 0.00 C ATOM 1470 O LEU A 97 -6.126 -8.247 8.536 1.00 0.00 O ATOM 1471 CB LEU A 97 -3.424 -7.515 6.723 1.00 0.00 C ATOM 1472 CG LEU A 97 -2.846 -6.450 5.740 1.00 0.00 C ATOM 1473 CD1 LEU A 97 -1.978 -7.101 4.652 1.00 0.00 C ATOM 1474 CD2 LEU A 97 -3.963 -5.588 5.122 1.00 0.00 C ATOM 0 H LEU A 97 -2.286 -6.405 8.672 1.00 0.00 H new ATOM 0 HA LEU A 97 -4.941 -6.244 7.591 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -2.603 -8.134 7.084 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -4.096 -8.169 6.168 1.00 0.00 H new ATOM 0 HG LEU A 97 -2.203 -5.788 6.320 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -1.592 -6.330 3.985 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -1.145 -7.628 5.118 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -2.580 -7.807 4.080 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -3.525 -4.857 4.443 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -4.653 -6.227 4.571 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -4.503 -5.069 5.914 1.00 0.00 H new ATOM 1486 N LYS A 98 -4.190 -8.803 9.573 1.00 0.00 N ATOM 1487 CA LYS A 98 -4.734 -9.985 10.284 1.00 0.00 C ATOM 1488 C LYS A 98 -5.672 -9.554 11.439 1.00 0.00 C ATOM 1489 O LYS A 98 -6.663 -10.233 11.740 1.00 0.00 O ATOM 1490 CB LYS A 98 -3.577 -10.889 10.820 1.00 0.00 C ATOM 1491 CG LYS A 98 -4.038 -12.238 11.421 1.00 0.00 C ATOM 1492 CD LYS A 98 -4.748 -13.131 10.375 1.00 0.00 C ATOM 1493 CE LYS A 98 -5.390 -14.389 10.987 1.00 0.00 C ATOM 1494 NZ LYS A 98 -4.389 -15.283 11.621 1.00 0.00 N ATOM 0 H LYS A 98 -3.218 -8.595 9.800 1.00 0.00 H new ATOM 0 HA LYS A 98 -5.320 -10.566 9.572 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -2.882 -11.088 10.004 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -3.025 -10.337 11.581 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -3.175 -12.768 11.823 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -4.714 -12.050 12.255 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -5.518 -12.547 9.871 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -4.027 -13.432 9.615 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -6.130 -14.091 11.730 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -5.922 -14.937 10.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -4.869 -16.115 12.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -3.697 -15.590 10.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -3.898 -14.771 12.381 1.00 0.00 H new ATOM 1508 N HIS A 99 -5.361 -8.396 12.050 1.00 0.00 N ATOM 1509 CA HIS A 99 -6.088 -7.880 13.230 1.00 0.00 C ATOM 1510 C HIS A 99 -7.163 -6.851 12.811 1.00 0.00 C ATOM 1511 O HIS A 99 -8.075 -6.555 13.592 1.00 0.00 O ATOM 1512 CB HIS A 99 -5.098 -7.269 14.268 1.00 0.00 C ATOM 1513 CG HIS A 99 -5.723 -6.999 15.611 1.00 0.00 C ATOM 1514 ND1 HIS A 99 -5.649 -5.787 16.256 1.00 0.00 N ATOM 1515 CD2 HIS A 99 -6.422 -7.819 16.433 1.00 0.00 C ATOM 1516 CE1 HIS A 99 -6.288 -5.868 17.407 1.00 0.00 C ATOM 1517 NE2 HIS A 99 -6.761 -7.092 17.539 1.00 0.00 N ATOM 0 H HIS A 99 -4.600 -7.791 11.742 1.00 0.00 H new ATOM 0 HA HIS A 99 -6.598 -8.717 13.706 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -4.256 -7.949 14.399 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -4.696 -6.337 13.870 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -6.666 -8.855 16.248 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -6.404 -5.066 18.121 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -7.293 -7.439 18.337 1.00 0.00 H new