USER MOD reduce.3.24.130724 H: found=0, std=0, add=699, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 701 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 16 HIS : no HD1:sc= -0.423 X(o=-3.2,f=-2.9) USER MOD Set 1.2: A 98 GLN : amide:sc= -2.82! C(o=-3.2!,f=-8.8!) USER MOD Set 2.1: A 45 HIS : no HD1:sc= -0.0125 X(o=-0.013,f=-0.0094) USER MOD Set 2.2: A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 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 MET CE :methyl -144:sc= -4.86 (180deg=-8.98!) USER MOD Single : A 39 TYR OH : rot 153:sc= 0.543 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00262) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -0.335 X(o=-0.34,f=-0.21) USER MOD Single : A 71 CYS SG : rot 130:sc= -1.41 USER MOD Single : A 76 SER OG : rot 79:sc= -4! USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 160:sc= -0.0474 (180deg=-0.324) USER MOD Single : A 84 ASN : amide:sc= -0.0475 X(o=-0.047,f=-0.35) USER MOD Single : A 89 THR OG1 : rot 180:sc= -0.63 USER MOD Single : A 90 THR OG1 : rot -50:sc= 1.7 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 93 CYS SG : rot 180:sc= 0 USER MOD Single : A 95 CYS SG : rot 106:sc= -0.125 USER MOD Single : A 105 MET CE :methyl 174:sc= -0.252 (180deg=-0.341) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 THR OG1 : rot 78:sc= 0.122 USER MOD Single : A 113 GLN : amide:sc= -0.454 K(o=-0.45,f=-2.3!) USER MOD Single : A 115 SER OG : rot -49:sc= 1.29 USER MOD Single : A 116 SER OG : rot -15:sc= 0.777 USER MOD Single : A 117 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 78 N ALA A 9 -5.419 -12.174 -5.856 1.00 0.00 N ATOM 79 CA ALA A 9 -4.987 -10.942 -5.208 1.00 0.00 C ATOM 80 C ALA A 9 -6.119 -9.922 -5.158 1.00 0.00 C ATOM 81 O ALA A 9 -6.558 -9.418 -6.191 1.00 0.00 O ATOM 82 CB ALA A 9 -3.780 -10.361 -5.929 1.00 0.00 C ATOM 0 HA ALA A 9 -4.703 -11.180 -4.183 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -3.468 -9.441 -5.434 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -2.962 -11.080 -5.906 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -4.044 -10.144 -6.964 1.00 0.00 H new ATOM 88 N ALA A 10 -6.586 -9.622 -3.951 1.00 0.00 N ATOM 89 CA ALA A 10 -7.666 -8.660 -3.767 1.00 0.00 C ATOM 90 C ALA A 10 -7.563 -7.520 -4.775 1.00 0.00 C ATOM 91 O ALA A 10 -8.551 -7.143 -5.405 1.00 0.00 O ATOM 92 CB ALA A 10 -7.651 -8.115 -2.347 1.00 0.00 C ATOM 0 H ALA A 10 -6.234 -10.031 -3.086 1.00 0.00 H new ATOM 0 HA ALA A 10 -8.611 -9.175 -3.936 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -8.463 -7.398 -2.224 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -7.781 -8.935 -1.641 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -6.698 -7.621 -2.157 1.00 0.00 H new ATOM 98 N LYS A 11 -6.361 -6.973 -4.921 1.00 0.00 N ATOM 99 CA LYS A 11 -6.128 -5.876 -5.853 1.00 0.00 C ATOM 100 C LYS A 11 -4.655 -5.798 -6.243 1.00 0.00 C ATOM 101 O LYS A 11 -3.800 -6.400 -5.596 1.00 0.00 O ATOM 102 CB LYS A 11 -6.573 -4.550 -5.232 1.00 0.00 C ATOM 103 CG LYS A 11 -6.785 -3.443 -6.250 1.00 0.00 C ATOM 104 CD LYS A 11 -7.780 -2.409 -5.751 1.00 0.00 C ATOM 105 CE LYS A 11 -7.794 -1.174 -6.638 1.00 0.00 C ATOM 106 NZ LYS A 11 -8.474 -1.432 -7.937 1.00 0.00 N ATOM 0 H LYS A 11 -5.533 -7.271 -4.406 1.00 0.00 H new ATOM 0 HA LYS A 11 -6.715 -6.064 -6.752 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -7.501 -4.709 -4.682 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -5.824 -4.228 -4.508 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -5.833 -2.958 -6.465 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -7.143 -3.872 -7.186 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -8.777 -2.848 -5.721 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -7.527 -2.122 -4.730 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -8.300 -0.360 -6.119 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -6.770 -0.848 -6.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -8.463 -0.566 -8.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -7.977 -2.192 -8.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -9.458 -1.719 -7.763 1.00 0.00 H new ATOM 120 N GLU A 12 -4.368 -5.051 -7.305 1.00 0.00 N ATOM 121 CA GLU A 12 -2.998 -4.894 -7.780 1.00 0.00 C ATOM 122 C GLU A 12 -2.877 -3.683 -8.700 1.00 0.00 C ATOM 123 O GLU A 12 -3.816 -3.337 -9.416 1.00 0.00 O ATOM 124 CB GLU A 12 -2.543 -6.156 -8.516 1.00 0.00 C ATOM 125 CG GLU A 12 -3.388 -6.489 -9.734 1.00 0.00 C ATOM 126 CD GLU A 12 -2.950 -7.770 -10.415 1.00 0.00 C ATOM 127 OE1 GLU A 12 -3.361 -8.856 -9.955 1.00 0.00 O ATOM 128 OE2 GLU A 12 -2.197 -7.688 -11.408 1.00 0.00 O ATOM 0 H GLU A 12 -5.065 -4.546 -7.852 1.00 0.00 H new ATOM 0 HA GLU A 12 -2.355 -4.736 -6.914 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -1.506 -6.031 -8.827 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -2.569 -6.999 -7.825 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -4.432 -6.580 -9.433 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -3.332 -5.666 -10.446 1.00 0.00 H new ATOM 135 N GLY A 13 -1.712 -3.042 -8.675 1.00 0.00 N ATOM 136 CA GLY A 13 -1.488 -1.877 -9.511 1.00 0.00 C ATOM 137 C GLY A 13 -0.304 -1.051 -9.049 1.00 0.00 C ATOM 138 O GLY A 13 0.097 -1.124 -7.887 1.00 0.00 O ATOM 0 H GLY A 13 -0.920 -3.309 -8.091 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -1.324 -2.198 -10.540 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -2.383 -1.255 -9.510 1.00 0.00 H new ATOM 142 N TRP A 14 0.258 -0.265 -9.960 1.00 0.00 N ATOM 143 CA TRP A 14 1.406 0.576 -9.640 1.00 0.00 C ATOM 144 C TRP A 14 1.013 1.685 -8.669 1.00 0.00 C ATOM 145 O TRP A 14 0.142 2.503 -8.965 1.00 0.00 O ATOM 146 CB TRP A 14 1.992 1.182 -10.916 1.00 0.00 C ATOM 147 CG TRP A 14 2.536 0.157 -11.864 1.00 0.00 C ATOM 148 CD1 TRP A 14 1.835 -0.546 -12.802 1.00 0.00 C ATOM 149 CD2 TRP A 14 3.895 -0.280 -11.966 1.00 0.00 C ATOM 150 NE1 TRP A 14 2.677 -1.394 -13.480 1.00 0.00 N ATOM 151 CE2 TRP A 14 3.946 -1.250 -12.986 1.00 0.00 C ATOM 152 CE3 TRP A 14 5.075 0.054 -11.295 1.00 0.00 C ATOM 153 CZ2 TRP A 14 5.130 -1.887 -13.349 1.00 0.00 C ATOM 154 CZ3 TRP A 14 6.249 -0.580 -11.656 1.00 0.00 C ATOM 155 CH2 TRP A 14 6.269 -1.540 -12.676 1.00 0.00 C ATOM 0 H TRP A 14 -0.062 -0.192 -10.926 1.00 0.00 H new ATOM 0 HA TRP A 14 2.162 -0.048 -9.163 1.00 0.00 H new ATOM 0 HB2 TRP A 14 1.220 1.761 -11.422 1.00 0.00 H new ATOM 0 HB3 TRP A 14 2.788 1.877 -10.648 1.00 0.00 H new ATOM 0 HD1 TRP A 14 0.775 -0.450 -12.984 1.00 0.00 H new ATOM 0 HE1 TRP A 14 2.401 -2.028 -14.230 1.00 0.00 H new ATOM 0 HE3 TRP A 14 5.069 0.794 -10.509 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 5.148 -2.629 -14.134 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 7.166 -0.331 -11.143 1.00 0.00 H new ATOM 0 HH2 TRP A 14 7.203 -2.016 -12.936 1.00 0.00 H new ATOM 166 N LEU A 15 1.662 1.707 -7.510 1.00 0.00 N ATOM 167 CA LEU A 15 1.381 2.717 -6.495 1.00 0.00 C ATOM 168 C LEU A 15 2.663 3.163 -5.801 1.00 0.00 C ATOM 169 O LEU A 15 3.616 2.393 -5.680 1.00 0.00 O ATOM 170 CB LEU A 15 0.392 2.171 -5.464 1.00 0.00 C ATOM 171 CG LEU A 15 -0.854 1.486 -6.026 1.00 0.00 C ATOM 172 CD1 LEU A 15 -1.531 0.646 -4.954 1.00 0.00 C ATOM 173 CD2 LEU A 15 -1.822 2.518 -6.587 1.00 0.00 C ATOM 0 H LEU A 15 2.386 1.037 -7.250 1.00 0.00 H new ATOM 0 HA LEU A 15 0.939 3.581 -6.991 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.918 1.459 -4.828 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.073 2.994 -4.825 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.547 0.825 -6.837 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.416 0.166 -5.372 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.839 -0.117 -4.598 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.825 1.286 -4.122 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.703 2.013 -6.983 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.122 3.204 -5.795 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.335 3.077 -7.386 1.00 0.00 H new ATOM 185 N HIS A 16 2.680 4.412 -5.345 1.00 0.00 N ATOM 186 CA HIS A 16 3.845 4.960 -4.659 1.00 0.00 C ATOM 187 C HIS A 16 3.797 4.641 -3.168 1.00 0.00 C ATOM 188 O HIS A 16 3.039 5.253 -2.416 1.00 0.00 O ATOM 189 CB HIS A 16 3.920 6.473 -4.867 1.00 0.00 C ATOM 190 CG HIS A 16 4.287 6.868 -6.264 1.00 0.00 C ATOM 191 ND1 HIS A 16 5.591 7.016 -6.687 1.00 0.00 N ATOM 192 CD2 HIS A 16 3.512 7.145 -7.339 1.00 0.00 C ATOM 193 CE1 HIS A 16 5.602 7.369 -7.960 1.00 0.00 C ATOM 194 NE2 HIS A 16 4.353 7.453 -8.380 1.00 0.00 N ATOM 0 H HIS A 16 1.901 5.063 -5.438 1.00 0.00 H new ATOM 0 HA HIS A 16 4.737 4.498 -5.083 1.00 0.00 H new ATOM 0 HB2 HIS A 16 2.956 6.914 -4.615 1.00 0.00 H new ATOM 0 HB3 HIS A 16 4.652 6.891 -4.176 1.00 0.00 H new ATOM 0 HD2 HIS A 16 2.433 7.127 -7.372 1.00 0.00 H new ATOM 0 HE1 HIS A 16 6.483 7.557 -8.556 1.00 0.00 H new ATOM 0 HE2 HIS A 16 4.060 7.706 -9.324 1.00 0.00 H new ATOM 203 N PHE A 17 4.612 3.679 -2.748 1.00 0.00 N ATOM 204 CA PHE A 17 4.662 3.278 -1.347 1.00 0.00 C ATOM 205 C PHE A 17 5.769 4.022 -0.607 1.00 0.00 C ATOM 206 O PHE A 17 6.954 3.799 -0.855 1.00 0.00 O ATOM 207 CB PHE A 17 4.883 1.768 -1.234 1.00 0.00 C ATOM 208 CG PHE A 17 5.483 1.346 0.077 1.00 0.00 C ATOM 209 CD1 PHE A 17 4.685 1.179 1.197 1.00 0.00 C ATOM 210 CD2 PHE A 17 6.845 1.116 0.188 1.00 0.00 C ATOM 211 CE1 PHE A 17 5.234 0.791 2.405 1.00 0.00 C ATOM 212 CE2 PHE A 17 7.399 0.727 1.393 1.00 0.00 C ATOM 213 CZ PHE A 17 6.593 0.565 2.503 1.00 0.00 C ATOM 0 H PHE A 17 5.246 3.163 -3.358 1.00 0.00 H new ATOM 0 HA PHE A 17 3.707 3.534 -0.888 1.00 0.00 H new ATOM 0 HB2 PHE A 17 3.929 1.258 -1.369 1.00 0.00 H new ATOM 0 HB3 PHE A 17 5.535 1.443 -2.044 1.00 0.00 H new ATOM 0 HD1 PHE A 17 3.622 1.354 1.126 1.00 0.00 H new ATOM 0 HD2 PHE A 17 7.480 1.242 -0.676 1.00 0.00 H new ATOM 0 HE1 PHE A 17 4.601 0.665 3.271 1.00 0.00 H new ATOM 0 HE2 PHE A 17 8.462 0.550 1.467 1.00 0.00 H new ATOM 0 HZ PHE A 17 7.025 0.262 3.446 1.00 0.00 H new ATOM 223 N ARG A 18 5.374 4.907 0.303 1.00 0.00 N ATOM 224 CA ARG A 18 6.332 5.686 1.078 1.00 0.00 C ATOM 225 C ARG A 18 6.134 5.459 2.574 1.00 0.00 C ATOM 226 O ARG A 18 5.278 6.073 3.212 1.00 0.00 O ATOM 227 CB ARG A 18 6.192 7.174 0.754 1.00 0.00 C ATOM 228 CG ARG A 18 7.359 8.016 1.244 1.00 0.00 C ATOM 229 CD ARG A 18 7.093 9.501 1.053 1.00 0.00 C ATOM 230 NE ARG A 18 7.821 10.317 2.021 1.00 0.00 N ATOM 231 CZ ARG A 18 7.781 11.645 2.041 1.00 0.00 C ATOM 232 NH1 ARG A 18 7.053 12.303 1.150 1.00 0.00 N ATOM 233 NH2 ARG A 18 8.471 12.317 2.954 1.00 0.00 N ATOM 0 H ARG A 18 4.397 5.102 0.521 1.00 0.00 H new ATOM 0 HA ARG A 18 7.335 5.355 0.808 1.00 0.00 H new ATOM 0 HB2 ARG A 18 6.095 7.295 -0.325 1.00 0.00 H new ATOM 0 HB3 ARG A 18 5.271 7.549 1.200 1.00 0.00 H new ATOM 0 HG2 ARG A 18 7.540 7.810 2.299 1.00 0.00 H new ATOM 0 HG3 ARG A 18 8.264 7.735 0.705 1.00 0.00 H new ATOM 0 HD2 ARG A 18 7.381 9.794 0.043 1.00 0.00 H new ATOM 0 HD3 ARG A 18 6.024 9.693 1.148 1.00 0.00 H new ATOM 0 HE ARG A 18 8.391 9.841 2.720 1.00 0.00 H new ATOM 0 HH11 ARG A 18 6.522 11.790 0.447 1.00 0.00 H new ATOM 0 HH12 ARG A 18 7.024 13.322 1.168 1.00 0.00 H new ATOM 0 HH21 ARG A 18 9.033 11.814 3.641 1.00 0.00 H new ATOM 0 HH22 ARG A 18 8.440 13.336 2.969 1.00 0.00 H new ATOM 247 N PRO A 19 6.942 4.555 3.148 1.00 0.00 N ATOM 248 CA PRO A 19 6.874 4.226 4.574 1.00 0.00 C ATOM 249 C PRO A 19 7.364 5.369 5.457 1.00 0.00 C ATOM 250 O PRO A 19 8.383 5.998 5.167 1.00 0.00 O ATOM 251 CB PRO A 19 7.802 3.015 4.704 1.00 0.00 C ATOM 252 CG PRO A 19 8.758 3.148 3.569 1.00 0.00 C ATOM 253 CD PRO A 19 7.984 3.785 2.448 1.00 0.00 C ATOM 0 HA PRO A 19 5.852 4.034 4.899 1.00 0.00 H new ATOM 0 HB2 PRO A 19 8.322 3.016 5.662 1.00 0.00 H new ATOM 0 HB3 PRO A 19 7.244 2.080 4.645 1.00 0.00 H new ATOM 0 HG2 PRO A 19 9.614 3.761 3.850 1.00 0.00 H new ATOM 0 HG3 PRO A 19 9.147 2.175 3.271 1.00 0.00 H new ATOM 0 HD2 PRO A 19 8.617 4.428 1.837 1.00 0.00 H new ATOM 0 HD3 PRO A 19 7.552 3.038 1.782 1.00 0.00 H new ATOM 261 N LEU A 20 6.634 5.633 6.534 1.00 0.00 N ATOM 262 CA LEU A 20 6.994 6.701 7.460 1.00 0.00 C ATOM 263 C LEU A 20 8.026 6.218 8.475 1.00 0.00 C ATOM 264 O LEU A 20 9.055 6.859 8.683 1.00 0.00 O ATOM 265 CB LEU A 20 5.750 7.215 8.186 1.00 0.00 C ATOM 266 CG LEU A 20 4.734 7.968 7.327 1.00 0.00 C ATOM 267 CD1 LEU A 20 3.516 8.353 8.153 1.00 0.00 C ATOM 268 CD2 LEU A 20 5.372 9.203 6.707 1.00 0.00 C ATOM 0 H LEU A 20 5.789 5.122 6.788 1.00 0.00 H new ATOM 0 HA LEU A 20 7.433 7.515 6.883 1.00 0.00 H new ATOM 0 HB2 LEU A 20 5.247 6.366 8.648 1.00 0.00 H new ATOM 0 HB3 LEU A 20 6.071 7.873 8.994 1.00 0.00 H new ATOM 0 HG LEU A 20 4.408 7.309 6.523 1.00 0.00 H new ATOM 0 HD11 LEU A 20 2.804 8.888 7.524 1.00 0.00 H new ATOM 0 HD12 LEU A 20 3.045 7.453 8.549 1.00 0.00 H new ATOM 0 HD13 LEU A 20 3.824 8.994 8.979 1.00 0.00 H new ATOM 0 HD21 LEU A 20 4.635 9.727 6.099 1.00 0.00 H new ATOM 0 HD22 LEU A 20 5.727 9.865 7.497 1.00 0.00 H new ATOM 0 HD23 LEU A 20 6.212 8.903 6.080 1.00 0.00 H new ATOM 280 N VAL A 21 7.743 5.080 9.102 1.00 0.00 N ATOM 281 CA VAL A 21 8.647 4.508 10.092 1.00 0.00 C ATOM 282 C VAL A 21 8.438 3.003 10.222 1.00 0.00 C ATOM 283 O VAL A 21 7.305 2.523 10.265 1.00 0.00 O ATOM 284 CB VAL A 21 8.455 5.163 11.472 1.00 0.00 C ATOM 285 CG1 VAL A 21 7.278 4.535 12.202 1.00 0.00 C ATOM 286 CG2 VAL A 21 9.728 5.048 12.298 1.00 0.00 C ATOM 0 H VAL A 21 6.895 4.537 8.941 1.00 0.00 H new ATOM 0 HA VAL A 21 9.662 4.702 9.744 1.00 0.00 H new ATOM 0 HB VAL A 21 8.238 6.221 11.326 1.00 0.00 H new ATOM 0 HG11 VAL A 21 7.158 5.011 13.175 1.00 0.00 H new ATOM 0 HG12 VAL A 21 6.370 4.674 11.615 1.00 0.00 H new ATOM 0 HG13 VAL A 21 7.462 3.469 12.339 1.00 0.00 H new ATOM 0 HG21 VAL A 21 9.574 5.516 13.270 1.00 0.00 H new ATOM 0 HG22 VAL A 21 9.978 3.996 12.437 1.00 0.00 H new ATOM 0 HG23 VAL A 21 10.545 5.549 11.779 1.00 0.00 H new ATOM 495 N TRP A 35 9.003 9.236 -2.022 1.00 0.00 N ATOM 496 CA TRP A 35 8.073 8.183 -2.415 1.00 0.00 C ATOM 497 C TRP A 35 8.775 7.121 -3.253 1.00 0.00 C ATOM 498 O TRP A 35 9.653 7.431 -4.059 1.00 0.00 O ATOM 499 CB TRP A 35 6.901 8.776 -3.199 1.00 0.00 C ATOM 500 CG TRP A 35 6.090 9.755 -2.405 1.00 0.00 C ATOM 501 CD1 TRP A 35 6.441 11.033 -2.075 1.00 0.00 C ATOM 502 CD2 TRP A 35 4.793 9.534 -1.840 1.00 0.00 C ATOM 503 NE1 TRP A 35 5.440 11.620 -1.339 1.00 0.00 N ATOM 504 CE2 TRP A 35 4.418 10.722 -1.182 1.00 0.00 C ATOM 505 CE3 TRP A 35 3.911 8.450 -1.828 1.00 0.00 C ATOM 506 CZ2 TRP A 35 3.200 10.852 -0.519 1.00 0.00 C ATOM 507 CZ3 TRP A 35 2.703 8.581 -1.170 1.00 0.00 C ATOM 508 CH2 TRP A 35 2.356 9.775 -0.523 1.00 0.00 C ATOM 0 HA TRP A 35 7.694 7.711 -1.509 1.00 0.00 H new ATOM 0 HB2 TRP A 35 7.284 9.271 -4.091 1.00 0.00 H new ATOM 0 HB3 TRP A 35 6.253 7.967 -3.537 1.00 0.00 H new ATOM 0 HD1 TRP A 35 7.369 11.512 -2.352 1.00 0.00 H new ATOM 0 HE1 TRP A 35 5.456 12.571 -0.969 1.00 0.00 H new ATOM 0 HE3 TRP A 35 4.169 7.526 -2.324 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 2.931 11.771 -0.019 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 2.014 7.749 -1.154 1.00 0.00 H new ATOM 0 HH2 TRP A 35 1.404 9.846 -0.018 1.00 0.00 H new ATOM 519 N LYS A 36 8.384 5.866 -3.060 1.00 0.00 N ATOM 520 CA LYS A 36 8.975 4.757 -3.799 1.00 0.00 C ATOM 521 C LYS A 36 7.955 4.126 -4.742 1.00 0.00 C ATOM 522 O LYS A 36 6.960 3.554 -4.300 1.00 0.00 O ATOM 523 CB LYS A 36 9.511 3.700 -2.831 1.00 0.00 C ATOM 524 CG LYS A 36 10.776 4.125 -2.105 1.00 0.00 C ATOM 525 CD LYS A 36 11.431 2.954 -1.392 1.00 0.00 C ATOM 526 CE LYS A 36 10.811 2.718 -0.023 1.00 0.00 C ATOM 527 NZ LYS A 36 11.219 1.405 0.551 1.00 0.00 N ATOM 0 H LYS A 36 7.659 5.591 -2.397 1.00 0.00 H new ATOM 0 HA LYS A 36 9.800 5.149 -4.394 1.00 0.00 H new ATOM 0 HB2 LYS A 36 8.740 3.469 -2.096 1.00 0.00 H new ATOM 0 HB3 LYS A 36 9.710 2.782 -3.383 1.00 0.00 H new ATOM 0 HG2 LYS A 36 11.478 4.556 -2.818 1.00 0.00 H new ATOM 0 HG3 LYS A 36 10.537 4.905 -1.382 1.00 0.00 H new ATOM 0 HD2 LYS A 36 11.329 2.054 -1.999 1.00 0.00 H new ATOM 0 HD3 LYS A 36 12.498 3.145 -1.281 1.00 0.00 H new ATOM 0 HE2 LYS A 36 11.109 3.519 0.654 1.00 0.00 H new ATOM 0 HE3 LYS A 36 9.725 2.757 -0.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 10.776 1.281 1.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 10.912 0.639 -0.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 12.254 1.377 0.653 1.00 0.00 H new ATOM 541 N GLN A 37 8.212 4.235 -6.042 1.00 0.00 N ATOM 542 CA GLN A 37 7.316 3.675 -7.046 1.00 0.00 C ATOM 543 C GLN A 37 7.575 2.184 -7.236 1.00 0.00 C ATOM 544 O GLN A 37 8.594 1.788 -7.800 1.00 0.00 O ATOM 545 CB GLN A 37 7.486 4.408 -8.378 1.00 0.00 C ATOM 546 CG GLN A 37 6.362 4.143 -9.366 1.00 0.00 C ATOM 547 CD GLN A 37 6.405 5.075 -10.562 1.00 0.00 C ATOM 548 OE1 GLN A 37 7.427 5.188 -11.238 1.00 0.00 O ATOM 549 NE2 GLN A 37 5.292 5.748 -10.828 1.00 0.00 N ATOM 0 H GLN A 37 9.033 4.706 -6.424 1.00 0.00 H new ATOM 0 HA GLN A 37 6.292 3.806 -6.696 1.00 0.00 H new ATOM 0 HB2 GLN A 37 7.547 5.480 -8.188 1.00 0.00 H new ATOM 0 HB3 GLN A 37 8.433 4.110 -8.829 1.00 0.00 H new ATOM 0 HG2 GLN A 37 6.423 3.111 -9.712 1.00 0.00 H new ATOM 0 HG3 GLN A 37 5.404 4.253 -8.859 1.00 0.00 H new ATOM 0 HE21 GLN A 37 4.468 5.623 -10.240 1.00 0.00 H new ATOM 0 HE22 GLN A 37 5.261 6.390 -11.620 1.00 0.00 H new ATOM 558 N MET A 38 6.645 1.362 -6.759 1.00 0.00 N ATOM 559 CA MET A 38 6.774 -0.086 -6.877 1.00 0.00 C ATOM 560 C MET A 38 5.402 -0.748 -6.966 1.00 0.00 C ATOM 561 O MET A 38 4.473 -0.370 -6.252 1.00 0.00 O ATOM 562 CB MET A 38 7.549 -0.650 -5.685 1.00 0.00 C ATOM 563 CG MET A 38 6.912 -0.333 -4.341 1.00 0.00 C ATOM 564 SD MET A 38 7.957 -0.804 -2.949 1.00 0.00 S ATOM 565 CE MET A 38 8.344 -2.500 -3.376 1.00 0.00 C ATOM 0 H MET A 38 5.796 1.673 -6.288 1.00 0.00 H new ATOM 0 HA MET A 38 7.323 -0.303 -7.793 1.00 0.00 H new ATOM 0 HB2 MET A 38 7.630 -1.732 -5.794 1.00 0.00 H new ATOM 0 HB3 MET A 38 8.563 -0.251 -5.700 1.00 0.00 H new ATOM 0 HG2 MET A 38 6.700 0.735 -4.286 1.00 0.00 H new ATOM 0 HG3 MET A 38 5.956 -0.852 -4.265 1.00 0.00 H new ATOM 0 HE1 MET A 38 8.391 -3.102 -2.469 1.00 0.00 H new ATOM 0 HE2 MET A 38 7.570 -2.895 -4.034 1.00 0.00 H new ATOM 0 HE3 MET A 38 9.307 -2.536 -3.886 1.00 0.00 H new ATOM 575 N TYR A 39 5.283 -1.736 -7.846 1.00 0.00 N ATOM 576 CA TYR A 39 4.024 -2.448 -8.029 1.00 0.00 C ATOM 577 C TYR A 39 3.517 -3.009 -6.704 1.00 0.00 C ATOM 578 O TYR A 39 4.116 -3.919 -6.131 1.00 0.00 O ATOM 579 CB TYR A 39 4.198 -3.581 -9.042 1.00 0.00 C ATOM 580 CG TYR A 39 2.891 -4.112 -9.586 1.00 0.00 C ATOM 581 CD1 TYR A 39 2.190 -3.418 -10.565 1.00 0.00 C ATOM 582 CD2 TYR A 39 2.357 -5.309 -9.123 1.00 0.00 C ATOM 583 CE1 TYR A 39 0.995 -3.899 -11.065 1.00 0.00 C ATOM 584 CE2 TYR A 39 1.164 -5.798 -9.618 1.00 0.00 C ATOM 585 CZ TYR A 39 0.487 -5.090 -10.588 1.00 0.00 C ATOM 586 OH TYR A 39 -0.702 -5.573 -11.085 1.00 0.00 O ATOM 0 H TYR A 39 6.043 -2.062 -8.443 1.00 0.00 H new ATOM 0 HA TYR A 39 3.287 -1.740 -8.408 1.00 0.00 H new ATOM 0 HB2 TYR A 39 4.809 -3.225 -9.871 1.00 0.00 H new ATOM 0 HB3 TYR A 39 4.745 -4.398 -8.571 1.00 0.00 H new ATOM 0 HD1 TYR A 39 2.586 -2.487 -10.942 1.00 0.00 H new ATOM 0 HD2 TYR A 39 2.884 -5.866 -8.363 1.00 0.00 H new ATOM 0 HE1 TYR A 39 0.462 -3.346 -11.824 1.00 0.00 H new ATOM 0 HE2 TYR A 39 0.764 -6.730 -9.247 1.00 0.00 H new ATOM 0 HH TYR A 39 -0.716 -6.550 -11.007 1.00 0.00 H new ATOM 596 N VAL A 40 2.407 -2.458 -6.222 1.00 0.00 N ATOM 597 CA VAL A 40 1.817 -2.903 -4.965 1.00 0.00 C ATOM 598 C VAL A 40 0.689 -3.900 -5.210 1.00 0.00 C ATOM 599 O VAL A 40 -0.280 -3.598 -5.906 1.00 0.00 O ATOM 600 CB VAL A 40 1.270 -1.716 -4.150 1.00 0.00 C ATOM 601 CG1 VAL A 40 0.515 -2.210 -2.926 1.00 0.00 C ATOM 602 CG2 VAL A 40 2.400 -0.780 -3.748 1.00 0.00 C ATOM 0 H VAL A 40 1.899 -1.703 -6.683 1.00 0.00 H new ATOM 0 HA VAL A 40 2.611 -3.389 -4.397 1.00 0.00 H new ATOM 0 HB VAL A 40 0.573 -1.159 -4.776 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.136 -1.357 -2.363 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.320 -2.836 -3.241 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.186 -2.792 -2.295 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.995 0.053 -3.173 1.00 0.00 H new ATOM 0 HG22 VAL A 40 3.123 -1.323 -3.140 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.892 -0.398 -4.643 1.00 0.00 H new ATOM 612 N VAL A 41 0.823 -5.089 -4.632 1.00 0.00 N ATOM 613 CA VAL A 41 -0.186 -6.131 -4.786 1.00 0.00 C ATOM 614 C VAL A 41 -0.774 -6.531 -3.437 1.00 0.00 C ATOM 615 O VAL A 41 -0.042 -6.829 -2.493 1.00 0.00 O ATOM 616 CB VAL A 41 0.399 -7.382 -5.470 1.00 0.00 C ATOM 617 CG1 VAL A 41 -0.683 -8.431 -5.678 1.00 0.00 C ATOM 618 CG2 VAL A 41 1.054 -7.009 -6.791 1.00 0.00 C ATOM 0 H VAL A 41 1.620 -5.355 -4.053 1.00 0.00 H new ATOM 0 HA VAL A 41 -0.975 -5.717 -5.414 1.00 0.00 H new ATOM 0 HB VAL A 41 1.163 -7.807 -4.820 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -0.252 -9.307 -6.162 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -1.101 -8.718 -4.713 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -1.472 -8.020 -6.308 1.00 0.00 H new ATOM 0 HG21 VAL A 41 1.462 -7.904 -7.260 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.312 -6.559 -7.451 1.00 0.00 H new ATOM 0 HG23 VAL A 41 1.858 -6.296 -6.610 1.00 0.00 H new ATOM 628 N LEU A 42 -2.099 -6.534 -3.354 1.00 0.00 N ATOM 629 CA LEU A 42 -2.787 -6.898 -2.120 1.00 0.00 C ATOM 630 C LEU A 42 -3.260 -8.347 -2.167 1.00 0.00 C ATOM 631 O LEU A 42 -4.181 -8.686 -2.910 1.00 0.00 O ATOM 632 CB LEU A 42 -3.979 -5.968 -1.884 1.00 0.00 C ATOM 633 CG LEU A 42 -4.922 -6.360 -0.746 1.00 0.00 C ATOM 634 CD1 LEU A 42 -4.284 -6.062 0.602 1.00 0.00 C ATOM 635 CD2 LEU A 42 -6.252 -5.635 -0.881 1.00 0.00 C ATOM 0 H LEU A 42 -2.719 -6.289 -4.126 1.00 0.00 H new ATOM 0 HA LEU A 42 -2.082 -6.792 -1.295 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -3.599 -4.966 -1.685 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -4.558 -5.912 -2.806 1.00 0.00 H new ATOM 0 HG LEU A 42 -5.109 -7.432 -0.808 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -4.969 -6.347 1.400 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -3.358 -6.628 0.699 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -4.067 -4.996 0.674 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -6.910 -5.927 -0.062 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -6.085 -4.558 -0.846 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -6.716 -5.900 -1.831 1.00 0.00 H new ATOM 647 N ARG A 43 -2.625 -9.197 -1.366 1.00 0.00 N ATOM 648 CA ARG A 43 -2.982 -10.610 -1.316 1.00 0.00 C ATOM 649 C ARG A 43 -3.431 -11.008 0.087 1.00 0.00 C ATOM 650 O ARG A 43 -2.662 -10.925 1.043 1.00 0.00 O ATOM 651 CB ARG A 43 -1.794 -11.473 -1.746 1.00 0.00 C ATOM 652 CG ARG A 43 -1.542 -11.458 -3.245 1.00 0.00 C ATOM 653 CD ARG A 43 -0.515 -12.505 -3.647 1.00 0.00 C ATOM 654 NE ARG A 43 -1.114 -13.829 -3.797 1.00 0.00 N ATOM 655 CZ ARG A 43 -0.415 -14.958 -3.779 1.00 0.00 C ATOM 656 NH1 ARG A 43 0.901 -14.924 -3.618 1.00 0.00 N ATOM 657 NH2 ARG A 43 -1.032 -16.124 -3.922 1.00 0.00 N ATOM 0 H ARG A 43 -1.862 -8.932 -0.744 1.00 0.00 H new ATOM 0 HA ARG A 43 -3.811 -10.774 -2.005 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -0.898 -11.125 -1.232 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -1.967 -12.500 -1.425 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -2.477 -11.642 -3.774 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -1.194 -10.470 -3.547 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -0.046 -12.211 -4.586 1.00 0.00 H new ATOM 0 HD3 ARG A 43 0.274 -12.547 -2.896 1.00 0.00 H new ATOM 0 HE ARG A 43 -2.124 -13.890 -3.922 1.00 0.00 H new ATOM 0 HH11 ARG A 43 1.378 -14.029 -3.508 1.00 0.00 H new ATOM 0 HH12 ARG A 43 1.436 -15.792 -3.604 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -2.044 -16.154 -4.046 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -0.494 -16.991 -3.908 1.00 0.00 H new ATOM 671 N GLY A 44 -4.684 -11.439 0.202 1.00 0.00 N ATOM 672 CA GLY A 44 -5.214 -11.842 1.491 1.00 0.00 C ATOM 673 C GLY A 44 -5.217 -10.708 2.497 1.00 0.00 C ATOM 674 O GLY A 44 -6.035 -9.792 2.409 1.00 0.00 O ATOM 0 H GLY A 44 -5.341 -11.516 -0.575 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -6.231 -12.212 1.362 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -4.621 -12.669 1.882 1.00 0.00 H new ATOM 678 N HIS A 45 -4.300 -10.770 3.458 1.00 0.00 N ATOM 679 CA HIS A 45 -4.201 -9.740 4.487 1.00 0.00 C ATOM 680 C HIS A 45 -2.798 -9.139 4.520 1.00 0.00 C ATOM 681 O HIS A 45 -2.431 -8.447 5.469 1.00 0.00 O ATOM 682 CB HIS A 45 -4.551 -10.322 5.856 1.00 0.00 C ATOM 683 CG HIS A 45 -4.002 -11.697 6.081 1.00 0.00 C ATOM 684 ND1 HIS A 45 -4.797 -12.788 6.362 1.00 0.00 N ATOM 685 CD2 HIS A 45 -2.729 -12.156 6.063 1.00 0.00 C ATOM 686 CE1 HIS A 45 -4.037 -13.858 6.509 1.00 0.00 C ATOM 687 NE2 HIS A 45 -2.777 -13.502 6.332 1.00 0.00 N ATOM 0 H HIS A 45 -3.616 -11.521 3.546 1.00 0.00 H new ATOM 0 HA HIS A 45 -4.911 -8.949 4.245 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -4.172 -9.657 6.632 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -5.635 -10.351 5.963 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -1.840 -11.572 5.873 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -4.386 -14.855 6.735 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -1.971 -14.125 6.386 1.00 0.00 H new ATOM 696 N SER A 46 -2.019 -9.409 3.477 1.00 0.00 N ATOM 697 CA SER A 46 -0.656 -8.900 3.389 1.00 0.00 C ATOM 698 C SER A 46 -0.439 -8.153 2.077 1.00 0.00 C ATOM 699 O SER A 46 -1.009 -8.509 1.045 1.00 0.00 O ATOM 700 CB SER A 46 0.349 -10.047 3.509 1.00 0.00 C ATOM 701 OG SER A 46 0.446 -10.503 4.847 1.00 0.00 O ATOM 0 H SER A 46 -2.309 -9.977 2.681 1.00 0.00 H new ATOM 0 HA SER A 46 -0.501 -8.204 4.213 1.00 0.00 H new ATOM 0 HB2 SER A 46 0.045 -10.870 2.862 1.00 0.00 H new ATOM 0 HB3 SER A 46 1.328 -9.715 3.163 1.00 0.00 H new ATOM 0 HG SER A 46 1.093 -11.237 4.896 1.00 0.00 H new ATOM 707 N LEU A 47 0.389 -7.115 2.124 1.00 0.00 N ATOM 708 CA LEU A 47 0.683 -6.316 0.939 1.00 0.00 C ATOM 709 C LEU A 47 2.052 -6.673 0.368 1.00 0.00 C ATOM 710 O LEU A 47 3.080 -6.448 1.007 1.00 0.00 O ATOM 711 CB LEU A 47 0.632 -4.826 1.279 1.00 0.00 C ATOM 712 CG LEU A 47 -0.728 -4.146 1.117 1.00 0.00 C ATOM 713 CD1 LEU A 47 -0.742 -2.803 1.829 1.00 0.00 C ATOM 714 CD2 LEU A 47 -1.066 -3.974 -0.357 1.00 0.00 C ATOM 0 H LEU A 47 0.869 -6.807 2.970 1.00 0.00 H new ATOM 0 HA LEU A 47 -0.073 -6.536 0.185 1.00 0.00 H new ATOM 0 HB2 LEU A 47 0.959 -4.698 2.311 1.00 0.00 H new ATOM 0 HB3 LEU A 47 1.353 -4.305 0.649 1.00 0.00 H new ATOM 0 HG LEU A 47 -1.487 -4.782 1.572 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -1.718 -2.334 1.702 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -0.546 -2.952 2.891 1.00 0.00 H new ATOM 0 HD13 LEU A 47 0.028 -2.158 1.405 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -2.037 -3.489 -0.453 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.304 -3.359 -0.836 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -1.099 -4.951 -0.839 1.00 0.00 H new ATOM 726 N TYR A 48 2.057 -7.227 -0.839 1.00 0.00 N ATOM 727 CA TYR A 48 3.299 -7.615 -1.496 1.00 0.00 C ATOM 728 C TYR A 48 3.651 -6.639 -2.615 1.00 0.00 C ATOM 729 O TYR A 48 3.046 -6.661 -3.688 1.00 0.00 O ATOM 730 CB TYR A 48 3.183 -9.033 -2.059 1.00 0.00 C ATOM 731 CG TYR A 48 2.877 -10.077 -1.010 1.00 0.00 C ATOM 732 CD1 TYR A 48 3.768 -10.331 0.026 1.00 0.00 C ATOM 733 CD2 TYR A 48 1.698 -10.810 -1.054 1.00 0.00 C ATOM 734 CE1 TYR A 48 3.493 -11.285 0.987 1.00 0.00 C ATOM 735 CE2 TYR A 48 1.414 -11.766 -0.096 1.00 0.00 C ATOM 736 CZ TYR A 48 2.315 -11.999 0.921 1.00 0.00 C ATOM 737 OH TYR A 48 2.038 -12.950 1.877 1.00 0.00 O ATOM 0 H TYR A 48 1.215 -7.417 -1.382 1.00 0.00 H new ATOM 0 HA TYR A 48 4.096 -7.591 -0.753 1.00 0.00 H new ATOM 0 HB2 TYR A 48 2.400 -9.051 -2.817 1.00 0.00 H new ATOM 0 HB3 TYR A 48 4.116 -9.294 -2.558 1.00 0.00 H new ATOM 0 HD1 TYR A 48 4.691 -9.773 0.081 1.00 0.00 H new ATOM 0 HD2 TYR A 48 0.991 -10.630 -1.850 1.00 0.00 H new ATOM 0 HE1 TYR A 48 4.197 -11.470 1.785 1.00 0.00 H new ATOM 0 HE2 TYR A 48 0.492 -12.327 -0.144 1.00 0.00 H new ATOM 0 HH TYR A 48 1.169 -13.361 1.687 1.00 0.00 H new ATOM 747 N LEU A 49 4.634 -5.784 -2.357 1.00 0.00 N ATOM 748 CA LEU A 49 5.069 -4.799 -3.342 1.00 0.00 C ATOM 749 C LEU A 49 6.192 -5.357 -4.211 1.00 0.00 C ATOM 750 O LEU A 49 6.767 -6.401 -3.905 1.00 0.00 O ATOM 751 CB LEU A 49 5.537 -3.521 -2.642 1.00 0.00 C ATOM 752 CG LEU A 49 4.561 -2.912 -1.635 1.00 0.00 C ATOM 753 CD1 LEU A 49 4.563 -3.709 -0.340 1.00 0.00 C ATOM 754 CD2 LEU A 49 4.912 -1.455 -1.367 1.00 0.00 C ATOM 0 H LEU A 49 5.145 -5.752 -1.475 1.00 0.00 H new ATOM 0 HA LEU A 49 4.220 -4.564 -3.984 1.00 0.00 H new ATOM 0 HB2 LEU A 49 6.473 -3.735 -2.127 1.00 0.00 H new ATOM 0 HB3 LEU A 49 5.756 -2.773 -3.404 1.00 0.00 H new ATOM 0 HG LEU A 49 3.558 -2.952 -2.060 1.00 0.00 H new ATOM 0 HD11 LEU A 49 3.862 -3.260 0.364 1.00 0.00 H new ATOM 0 HD12 LEU A 49 4.264 -4.737 -0.545 1.00 0.00 H new ATOM 0 HD13 LEU A 49 5.565 -3.702 0.090 1.00 0.00 H new ATOM 0 HD21 LEU A 49 4.207 -1.037 -0.648 1.00 0.00 H new ATOM 0 HD22 LEU A 49 5.922 -1.393 -0.963 1.00 0.00 H new ATOM 0 HD23 LEU A 49 4.858 -0.891 -2.298 1.00 0.00 H new ATOM 766 N TYR A 50 6.500 -4.652 -5.294 1.00 0.00 N ATOM 767 CA TYR A 50 7.554 -5.077 -6.208 1.00 0.00 C ATOM 768 C TYR A 50 8.084 -3.896 -7.015 1.00 0.00 C ATOM 769 O TYR A 50 7.314 -3.096 -7.546 1.00 0.00 O ATOM 770 CB TYR A 50 7.032 -6.161 -7.152 1.00 0.00 C ATOM 771 CG TYR A 50 6.565 -7.411 -6.441 1.00 0.00 C ATOM 772 CD1 TYR A 50 7.475 -8.349 -5.971 1.00 0.00 C ATOM 773 CD2 TYR A 50 5.211 -7.652 -6.237 1.00 0.00 C ATOM 774 CE1 TYR A 50 7.052 -9.492 -5.321 1.00 0.00 C ATOM 775 CE2 TYR A 50 4.779 -8.792 -5.587 1.00 0.00 C ATOM 776 CZ TYR A 50 5.704 -9.709 -5.131 1.00 0.00 C ATOM 777 OH TYR A 50 5.278 -10.846 -4.483 1.00 0.00 O ATOM 0 H TYR A 50 6.035 -3.784 -5.560 1.00 0.00 H new ATOM 0 HA TYR A 50 8.372 -5.485 -5.615 1.00 0.00 H new ATOM 0 HB2 TYR A 50 6.206 -5.755 -7.736 1.00 0.00 H new ATOM 0 HB3 TYR A 50 7.820 -6.427 -7.857 1.00 0.00 H new ATOM 0 HD1 TYR A 50 8.532 -8.182 -6.116 1.00 0.00 H new ATOM 0 HD2 TYR A 50 4.485 -6.936 -6.593 1.00 0.00 H new ATOM 0 HE1 TYR A 50 7.773 -10.212 -4.964 1.00 0.00 H new ATOM 0 HE2 TYR A 50 3.724 -8.965 -5.437 1.00 0.00 H new ATOM 0 HH TYR A 50 4.299 -10.845 -4.431 1.00 0.00 H new ATOM 787 N LYS A 51 9.406 -3.793 -7.102 1.00 0.00 N ATOM 788 CA LYS A 51 10.042 -2.712 -7.845 1.00 0.00 C ATOM 789 C LYS A 51 9.469 -2.609 -9.255 1.00 0.00 C ATOM 790 O LYS A 51 9.150 -1.518 -9.727 1.00 0.00 O ATOM 791 CB LYS A 51 11.555 -2.934 -7.913 1.00 0.00 C ATOM 792 CG LYS A 51 12.273 -2.634 -6.609 1.00 0.00 C ATOM 793 CD LYS A 51 12.326 -1.140 -6.333 1.00 0.00 C ATOM 794 CE LYS A 51 13.325 -0.811 -5.234 1.00 0.00 C ATOM 795 NZ LYS A 51 12.812 -1.187 -3.888 1.00 0.00 N ATOM 0 H LYS A 51 10.058 -4.446 -6.667 1.00 0.00 H new ATOM 0 HA LYS A 51 9.841 -1.778 -7.321 1.00 0.00 H new ATOM 0 HB2 LYS A 51 11.750 -3.969 -8.195 1.00 0.00 H new ATOM 0 HB3 LYS A 51 11.971 -2.305 -8.700 1.00 0.00 H new ATOM 0 HG2 LYS A 51 11.764 -3.139 -5.788 1.00 0.00 H new ATOM 0 HG3 LYS A 51 13.286 -3.034 -6.650 1.00 0.00 H new ATOM 0 HD2 LYS A 51 12.600 -0.610 -7.245 1.00 0.00 H new ATOM 0 HD3 LYS A 51 11.336 -0.787 -6.044 1.00 0.00 H new ATOM 0 HE2 LYS A 51 14.261 -1.335 -5.425 1.00 0.00 H new ATOM 0 HE3 LYS A 51 13.548 0.256 -5.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 13.522 -0.947 -3.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 11.932 -0.668 -3.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 12.624 -2.209 -3.861 1.00 0.00 H new ATOM 809 N ASP A 52 9.340 -3.752 -9.921 1.00 0.00 N ATOM 810 CA ASP A 52 8.802 -3.790 -11.275 1.00 0.00 C ATOM 811 C ASP A 52 7.783 -4.916 -11.424 1.00 0.00 C ATOM 812 O ASP A 52 7.820 -5.903 -10.689 1.00 0.00 O ATOM 813 CB ASP A 52 9.932 -3.972 -12.290 1.00 0.00 C ATOM 814 CG ASP A 52 9.452 -3.833 -13.722 1.00 0.00 C ATOM 815 OD1 ASP A 52 9.285 -2.684 -14.182 1.00 0.00 O ATOM 816 OD2 ASP A 52 9.242 -4.873 -14.381 1.00 0.00 O ATOM 0 H ASP A 52 9.601 -4.664 -9.545 1.00 0.00 H new ATOM 0 HA ASP A 52 8.300 -2.842 -11.467 1.00 0.00 H new ATOM 0 HB2 ASP A 52 10.711 -3.235 -12.098 1.00 0.00 H new ATOM 0 HB3 ASP A 52 10.383 -4.955 -12.155 1.00 0.00 H new ATOM 821 N LYS A 53 6.871 -4.759 -12.378 1.00 0.00 N ATOM 822 CA LYS A 53 5.841 -5.761 -12.624 1.00 0.00 C ATOM 823 C LYS A 53 6.354 -6.851 -13.560 1.00 0.00 C ATOM 824 O LYS A 53 5.587 -7.439 -14.322 1.00 0.00 O ATOM 825 CB LYS A 53 4.595 -5.105 -13.222 1.00 0.00 C ATOM 826 CG LYS A 53 3.319 -5.894 -12.986 1.00 0.00 C ATOM 827 CD LYS A 53 2.311 -5.671 -14.101 1.00 0.00 C ATOM 828 CE LYS A 53 1.210 -6.720 -14.076 1.00 0.00 C ATOM 829 NZ LYS A 53 1.660 -8.011 -14.667 1.00 0.00 N ATOM 0 H LYS A 53 6.825 -3.947 -12.993 1.00 0.00 H new ATOM 0 HA LYS A 53 5.580 -6.219 -11.670 1.00 0.00 H new ATOM 0 HB2 LYS A 53 4.480 -4.108 -12.796 1.00 0.00 H new ATOM 0 HB3 LYS A 53 4.741 -4.978 -14.295 1.00 0.00 H new ATOM 0 HG2 LYS A 53 3.555 -6.956 -12.914 1.00 0.00 H new ATOM 0 HG3 LYS A 53 2.879 -5.600 -12.033 1.00 0.00 H new ATOM 0 HD2 LYS A 53 1.871 -4.678 -14.002 1.00 0.00 H new ATOM 0 HD3 LYS A 53 2.820 -5.700 -15.064 1.00 0.00 H new ATOM 0 HE2 LYS A 53 0.888 -6.884 -13.048 1.00 0.00 H new ATOM 0 HE3 LYS A 53 0.344 -6.351 -14.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 0.871 -8.689 -14.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 1.975 -7.854 -15.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 2.448 -8.393 -14.107 1.00 0.00 H new ATOM 1014 N PRO A 65 6.377 -7.898 3.812 1.00 0.00 N ATOM 1015 CA PRO A 65 4.968 -7.554 3.602 1.00 0.00 C ATOM 1016 C PRO A 65 4.411 -6.682 4.723 1.00 0.00 C ATOM 1017 O PRO A 65 4.948 -6.662 5.831 1.00 0.00 O ATOM 1018 CB PRO A 65 4.269 -8.916 3.587 1.00 0.00 C ATOM 1019 CG PRO A 65 5.159 -9.807 4.382 1.00 0.00 C ATOM 1020 CD PRO A 65 6.561 -9.324 4.131 1.00 0.00 C ATOM 0 HA PRO A 65 4.821 -6.974 2.691 1.00 0.00 H new ATOM 0 HB2 PRO A 65 3.274 -8.855 4.028 1.00 0.00 H new ATOM 0 HB3 PRO A 65 4.145 -9.286 2.569 1.00 0.00 H new ATOM 0 HG2 PRO A 65 4.913 -9.758 5.443 1.00 0.00 H new ATOM 0 HG3 PRO A 65 5.044 -10.847 4.076 1.00 0.00 H new ATOM 0 HD2 PRO A 65 7.196 -9.462 5.006 1.00 0.00 H new ATOM 0 HD3 PRO A 65 7.031 -9.863 3.308 1.00 0.00 H new ATOM 1028 N ILE A 66 3.333 -5.964 4.427 1.00 0.00 N ATOM 1029 CA ILE A 66 2.703 -5.092 5.411 1.00 0.00 C ATOM 1030 C ILE A 66 1.281 -5.548 5.719 1.00 0.00 C ATOM 1031 O ILE A 66 0.346 -5.244 4.977 1.00 0.00 O ATOM 1032 CB ILE A 66 2.669 -3.631 4.927 1.00 0.00 C ATOM 1033 CG1 ILE A 66 4.081 -3.148 4.590 1.00 0.00 C ATOM 1034 CG2 ILE A 66 2.036 -2.738 5.984 1.00 0.00 C ATOM 1035 CD1 ILE A 66 4.106 -1.899 3.738 1.00 0.00 C ATOM 0 H ILE A 66 2.878 -5.969 3.514 1.00 0.00 H new ATOM 0 HA ILE A 66 3.305 -5.152 6.318 1.00 0.00 H new ATOM 0 HB ILE A 66 2.063 -3.578 4.023 1.00 0.00 H new ATOM 0 HG12 ILE A 66 4.621 -2.956 5.517 1.00 0.00 H new ATOM 0 HG13 ILE A 66 4.614 -3.944 4.069 1.00 0.00 H new ATOM 0 HG21 ILE A 66 2.019 -1.708 5.627 1.00 0.00 H new ATOM 0 HG22 ILE A 66 1.017 -3.071 6.179 1.00 0.00 H new ATOM 0 HG23 ILE A 66 2.618 -2.794 6.904 1.00 0.00 H new ATOM 0 HD11 ILE A 66 5.139 -1.615 3.539 1.00 0.00 H new ATOM 0 HD12 ILE A 66 3.594 -2.092 2.795 1.00 0.00 H new ATOM 0 HD13 ILE A 66 3.602 -1.089 4.265 1.00 0.00 H new ATOM 1047 N SER A 67 1.124 -6.277 6.819 1.00 0.00 N ATOM 1048 CA SER A 67 -0.184 -6.776 7.225 1.00 0.00 C ATOM 1049 C SER A 67 -1.200 -5.640 7.300 1.00 0.00 C ATOM 1050 O SER A 67 -1.027 -4.686 8.058 1.00 0.00 O ATOM 1051 CB SER A 67 -0.088 -7.478 8.581 1.00 0.00 C ATOM 1052 OG SER A 67 0.969 -8.423 8.592 1.00 0.00 O ATOM 0 H SER A 67 1.887 -6.535 7.445 1.00 0.00 H new ATOM 0 HA SER A 67 -0.520 -7.493 6.475 1.00 0.00 H new ATOM 0 HB2 SER A 67 0.072 -6.739 9.366 1.00 0.00 H new ATOM 0 HB3 SER A 67 -1.030 -7.979 8.802 1.00 0.00 H new ATOM 0 HG SER A 67 1.011 -8.857 9.470 1.00 0.00 H new ATOM 1058 N VAL A 68 -2.262 -5.751 6.507 1.00 0.00 N ATOM 1059 CA VAL A 68 -3.307 -4.735 6.483 1.00 0.00 C ATOM 1060 C VAL A 68 -4.547 -5.204 7.234 1.00 0.00 C ATOM 1061 O VAL A 68 -5.458 -4.421 7.500 1.00 0.00 O ATOM 1062 CB VAL A 68 -3.702 -4.370 5.039 1.00 0.00 C ATOM 1063 CG1 VAL A 68 -2.476 -3.964 4.236 1.00 0.00 C ATOM 1064 CG2 VAL A 68 -4.423 -5.533 4.375 1.00 0.00 C ATOM 0 H VAL A 68 -2.421 -6.534 5.873 1.00 0.00 H new ATOM 0 HA VAL A 68 -2.901 -3.851 6.975 1.00 0.00 H new ATOM 0 HB VAL A 68 -4.383 -3.520 5.071 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -2.775 -3.710 3.219 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -2.005 -3.099 4.703 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -1.768 -4.792 4.210 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -4.695 -5.258 3.356 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -3.767 -6.403 4.354 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -5.325 -5.772 4.939 1.00 0.00 H new ATOM 1074 N ASN A 69 -4.575 -6.489 7.575 1.00 0.00 N ATOM 1075 CA ASN A 69 -5.705 -7.063 8.297 1.00 0.00 C ATOM 1076 C ASN A 69 -6.298 -6.052 9.273 1.00 0.00 C ATOM 1077 O ASN A 69 -7.516 -5.955 9.418 1.00 0.00 O ATOM 1078 CB ASN A 69 -5.268 -8.321 9.051 1.00 0.00 C ATOM 1079 CG ASN A 69 -6.429 -9.251 9.345 1.00 0.00 C ATOM 1080 OD1 ASN A 69 -6.554 -10.317 8.742 1.00 0.00 O ATOM 1081 ND2 ASN A 69 -7.286 -8.850 10.277 1.00 0.00 N ATOM 0 H ASN A 69 -3.829 -7.152 7.363 1.00 0.00 H new ATOM 0 HA ASN A 69 -6.471 -7.330 7.569 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -4.520 -8.853 8.463 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -4.791 -8.033 9.988 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -8.087 -9.434 10.518 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -7.143 -7.958 10.751 1.00 0.00 H new ATOM 1088 N ALA A 70 -5.428 -5.300 9.939 1.00 0.00 N ATOM 1089 CA ALA A 70 -5.865 -4.295 10.900 1.00 0.00 C ATOM 1090 C ALA A 70 -5.198 -2.951 10.629 1.00 0.00 C ATOM 1091 O ALA A 70 -4.452 -2.438 11.465 1.00 0.00 O ATOM 1092 CB ALA A 70 -5.570 -4.757 12.319 1.00 0.00 C ATOM 0 H ALA A 70 -4.416 -5.368 9.831 1.00 0.00 H new ATOM 0 HA ALA A 70 -6.942 -4.166 10.789 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -5.902 -3.996 13.026 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -6.099 -5.690 12.515 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -4.498 -4.916 12.434 1.00 0.00 H new ATOM 1098 N CYS A 71 -5.469 -2.386 9.458 1.00 0.00 N ATOM 1099 CA CYS A 71 -4.893 -1.101 9.077 1.00 0.00 C ATOM 1100 C CYS A 71 -5.969 -0.021 9.011 1.00 0.00 C ATOM 1101 O CYS A 71 -7.156 -0.301 9.183 1.00 0.00 O ATOM 1102 CB CYS A 71 -4.186 -1.216 7.727 1.00 0.00 C ATOM 1103 SG CYS A 71 -5.303 -1.453 6.325 1.00 0.00 S ATOM 0 H CYS A 71 -6.084 -2.797 8.756 1.00 0.00 H new ATOM 0 HA CYS A 71 -4.165 -0.817 9.837 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -3.597 -0.314 7.560 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -3.487 -2.051 7.765 1.00 0.00 H new ATOM 0 HG CYS A 71 -5.014 -0.597 5.390 1.00 0.00 H new ATOM 1109 N LEU A 72 -5.545 1.214 8.763 1.00 0.00 N ATOM 1110 CA LEU A 72 -6.472 2.337 8.676 1.00 0.00 C ATOM 1111 C LEU A 72 -6.076 3.283 7.547 1.00 0.00 C ATOM 1112 O LEU A 72 -5.055 3.966 7.625 1.00 0.00 O ATOM 1113 CB LEU A 72 -6.509 3.097 10.003 1.00 0.00 C ATOM 1114 CG LEU A 72 -7.020 2.312 11.212 1.00 0.00 C ATOM 1115 CD1 LEU A 72 -5.870 1.605 11.913 1.00 0.00 C ATOM 1116 CD2 LEU A 72 -7.749 3.234 12.177 1.00 0.00 C ATOM 0 H LEU A 72 -4.566 1.463 8.619 1.00 0.00 H new ATOM 0 HA LEU A 72 -7.465 1.941 8.463 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -5.502 3.451 10.224 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -7.137 3.979 9.876 1.00 0.00 H new ATOM 0 HG LEU A 72 -7.724 1.557 10.861 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -6.252 1.051 12.771 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -5.391 0.914 11.219 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -5.142 2.342 12.252 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -8.106 2.658 13.031 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -7.068 4.011 12.522 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -8.597 3.694 11.670 1.00 0.00 H new ATOM 1128 N ILE A 73 -6.892 3.317 6.498 1.00 0.00 N ATOM 1129 CA ILE A 73 -6.628 4.182 5.354 1.00 0.00 C ATOM 1130 C ILE A 73 -7.224 5.569 5.565 1.00 0.00 C ATOM 1131 O ILE A 73 -8.249 5.721 6.230 1.00 0.00 O ATOM 1132 CB ILE A 73 -7.196 3.583 4.054 1.00 0.00 C ATOM 1133 CG1 ILE A 73 -6.341 2.400 3.595 1.00 0.00 C ATOM 1134 CG2 ILE A 73 -7.265 4.647 2.968 1.00 0.00 C ATOM 1135 CD1 ILE A 73 -7.064 1.460 2.657 1.00 0.00 C ATOM 0 H ILE A 73 -7.740 2.756 6.417 1.00 0.00 H new ATOM 0 HA ILE A 73 -5.545 4.265 5.263 1.00 0.00 H new ATOM 0 HB ILE A 73 -8.206 3.222 4.248 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -5.447 2.779 3.099 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -6.008 1.842 4.470 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -7.668 4.209 2.055 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -7.911 5.461 3.297 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -6.265 5.034 2.774 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -6.398 0.646 2.373 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -7.943 1.052 3.157 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -7.374 2.004 1.764 1.00 0.00 H new ATOM 1147 N ASP A 74 -6.577 6.578 4.993 1.00 0.00 N ATOM 1148 CA ASP A 74 -7.045 7.954 5.115 1.00 0.00 C ATOM 1149 C ASP A 74 -6.396 8.845 4.060 1.00 0.00 C ATOM 1150 O ASP A 74 -5.171 8.944 3.985 1.00 0.00 O ATOM 1151 CB ASP A 74 -6.742 8.496 6.513 1.00 0.00 C ATOM 1152 CG ASP A 74 -7.602 7.852 7.582 1.00 0.00 C ATOM 1153 OD1 ASP A 74 -8.705 8.372 7.849 1.00 0.00 O ATOM 1154 OD2 ASP A 74 -7.172 6.827 8.153 1.00 0.00 O ATOM 0 H ASP A 74 -5.727 6.469 4.440 1.00 0.00 H new ATOM 0 HA ASP A 74 -8.123 7.960 4.956 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -5.691 8.326 6.745 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -6.901 9.574 6.524 1.00 0.00 H new ATOM 1159 N ILE A 75 -7.226 9.489 3.246 1.00 0.00 N ATOM 1160 CA ILE A 75 -6.732 10.370 2.195 1.00 0.00 C ATOM 1161 C ILE A 75 -5.561 11.212 2.688 1.00 0.00 C ATOM 1162 O ILE A 75 -5.747 12.191 3.411 1.00 0.00 O ATOM 1163 CB ILE A 75 -7.841 11.307 1.679 1.00 0.00 C ATOM 1164 CG1 ILE A 75 -9.029 10.491 1.164 1.00 0.00 C ATOM 1165 CG2 ILE A 75 -7.301 12.214 0.584 1.00 0.00 C ATOM 1166 CD1 ILE A 75 -10.179 11.342 0.672 1.00 0.00 C ATOM 0 H ILE A 75 -8.242 9.417 3.294 1.00 0.00 H new ATOM 0 HA ILE A 75 -6.398 9.730 1.378 1.00 0.00 H new ATOM 0 HB ILE A 75 -8.183 11.931 2.505 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -8.692 9.846 0.353 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -9.385 9.840 1.962 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -8.096 12.870 0.230 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -6.484 12.816 0.981 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -6.936 11.607 -0.244 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -10.985 10.697 0.322 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -10.543 11.968 1.487 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -9.839 11.975 -0.148 1.00 0.00 H new ATOM 1178 N SER A 76 -4.352 10.825 2.292 1.00 0.00 N ATOM 1179 CA SER A 76 -3.149 11.543 2.696 1.00 0.00 C ATOM 1180 C SER A 76 -3.439 13.030 2.880 1.00 0.00 C ATOM 1181 O SER A 76 -4.240 13.612 2.149 1.00 0.00 O ATOM 1182 CB SER A 76 -2.043 11.353 1.655 1.00 0.00 C ATOM 1183 OG SER A 76 -2.049 12.406 0.707 1.00 0.00 O ATOM 0 H SER A 76 -4.180 10.018 1.692 1.00 0.00 H new ATOM 0 HA SER A 76 -2.815 11.135 3.650 1.00 0.00 H new ATOM 0 HB2 SER A 76 -1.074 11.313 2.152 1.00 0.00 H new ATOM 0 HB3 SER A 76 -2.179 10.399 1.145 1.00 0.00 H new ATOM 0 HG SER A 76 -1.617 13.196 1.093 1.00 0.00 H new ATOM 1189 N TYR A 77 -2.783 13.636 3.862 1.00 0.00 N ATOM 1190 CA TYR A 77 -2.971 15.054 4.145 1.00 0.00 C ATOM 1191 C TYR A 77 -2.866 15.884 2.869 1.00 0.00 C ATOM 1192 O TYR A 77 -1.881 15.794 2.137 1.00 0.00 O ATOM 1193 CB TYR A 77 -1.937 15.534 5.165 1.00 0.00 C ATOM 1194 CG TYR A 77 -0.618 14.799 5.082 1.00 0.00 C ATOM 1195 CD1 TYR A 77 0.277 15.052 4.049 1.00 0.00 C ATOM 1196 CD2 TYR A 77 -0.266 13.852 6.036 1.00 0.00 C ATOM 1197 CE1 TYR A 77 1.482 14.382 3.969 1.00 0.00 C ATOM 1198 CE2 TYR A 77 0.938 13.179 5.964 1.00 0.00 C ATOM 1199 CZ TYR A 77 1.808 13.447 4.928 1.00 0.00 C ATOM 1200 OH TYR A 77 3.009 12.779 4.852 1.00 0.00 O ATOM 0 H TYR A 77 -2.116 13.168 4.476 1.00 0.00 H new ATOM 0 HA TYR A 77 -3.970 15.185 4.561 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -1.760 16.599 5.016 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -2.347 15.416 6.168 1.00 0.00 H new ATOM 0 HD1 TYR A 77 0.026 15.785 3.296 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -0.946 13.639 6.848 1.00 0.00 H new ATOM 0 HE1 TYR A 77 2.166 14.590 3.159 1.00 0.00 H new ATOM 0 HE2 TYR A 77 1.197 12.447 6.715 1.00 0.00 H new ATOM 0 HH TYR A 77 3.085 12.156 5.605 1.00 0.00 H new ATOM 1210 N SER A 78 -3.889 16.691 2.610 1.00 0.00 N ATOM 1211 CA SER A 78 -3.915 17.535 1.422 1.00 0.00 C ATOM 1212 C SER A 78 -2.577 18.243 1.228 1.00 0.00 C ATOM 1213 O SER A 78 -2.217 18.616 0.113 1.00 0.00 O ATOM 1214 CB SER A 78 -5.040 18.567 1.527 1.00 0.00 C ATOM 1215 OG SER A 78 -5.288 19.181 0.274 1.00 0.00 O ATOM 0 H SER A 78 -4.711 16.778 3.207 1.00 0.00 H new ATOM 0 HA SER A 78 -4.097 16.896 0.558 1.00 0.00 H new ATOM 0 HB2 SER A 78 -5.949 18.083 1.885 1.00 0.00 H new ATOM 0 HB3 SER A 78 -4.773 19.327 2.261 1.00 0.00 H new ATOM 0 HG SER A 78 -6.012 19.835 0.368 1.00 0.00 H new ATOM 1221 N GLU A 79 -1.846 18.422 2.324 1.00 0.00 N ATOM 1222 CA GLU A 79 -0.548 19.086 2.275 1.00 0.00 C ATOM 1223 C GLU A 79 0.235 18.658 1.037 1.00 0.00 C ATOM 1224 O GLU A 79 0.686 19.495 0.254 1.00 0.00 O ATOM 1225 CB GLU A 79 0.258 18.770 3.537 1.00 0.00 C ATOM 1226 CG GLU A 79 -0.165 19.582 4.749 1.00 0.00 C ATOM 1227 CD GLU A 79 0.279 21.029 4.666 1.00 0.00 C ATOM 1228 OE1 GLU A 79 1.292 21.302 3.989 1.00 0.00 O ATOM 1229 OE2 GLU A 79 -0.388 21.890 5.278 1.00 0.00 O ATOM 0 H GLU A 79 -2.130 18.117 3.255 1.00 0.00 H new ATOM 0 HA GLU A 79 -0.719 20.161 2.221 1.00 0.00 H new ATOM 0 HB2 GLU A 79 0.156 17.709 3.767 1.00 0.00 H new ATOM 0 HB3 GLU A 79 1.314 18.953 3.339 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -1.250 19.544 4.846 1.00 0.00 H new ATOM 0 HG3 GLU A 79 0.252 19.129 5.649 1.00 0.00 H new ATOM 1236 N THR A 80 0.394 17.349 0.867 1.00 0.00 N ATOM 1237 CA THR A 80 1.123 16.810 -0.273 1.00 0.00 C ATOM 1238 C THR A 80 0.502 17.265 -1.589 1.00 0.00 C ATOM 1239 O THR A 80 -0.698 17.532 -1.662 1.00 0.00 O ATOM 1240 CB THR A 80 1.157 15.270 -0.241 1.00 0.00 C ATOM 1241 OG1 THR A 80 2.091 14.780 -1.209 1.00 0.00 O ATOM 1242 CG2 THR A 80 -0.222 14.692 -0.522 1.00 0.00 C ATOM 0 H THR A 80 0.027 16.643 1.505 1.00 0.00 H new ATOM 0 HA THR A 80 2.142 17.191 -0.204 1.00 0.00 H new ATOM 0 HB THR A 80 1.469 14.957 0.755 1.00 0.00 H new ATOM 0 HG1 THR A 80 2.108 13.801 -1.181 1.00 0.00 H new ATOM 0 HG21 THR A 80 -0.173 13.603 -0.494 1.00 0.00 H new ATOM 0 HG22 THR A 80 -0.925 15.043 0.234 1.00 0.00 H new ATOM 0 HG23 THR A 80 -0.558 15.015 -1.507 1.00 0.00 H new ATOM 1250 N LYS A 81 1.326 17.353 -2.627 1.00 0.00 N ATOM 1251 CA LYS A 81 0.858 17.775 -3.942 1.00 0.00 C ATOM 1252 C LYS A 81 0.282 16.595 -4.719 1.00 0.00 C ATOM 1253 O LYS A 81 -0.698 16.740 -5.449 1.00 0.00 O ATOM 1254 CB LYS A 81 2.003 18.410 -4.734 1.00 0.00 C ATOM 1255 CG LYS A 81 3.119 17.438 -5.077 1.00 0.00 C ATOM 1256 CD LYS A 81 4.130 18.060 -6.025 1.00 0.00 C ATOM 1257 CE LYS A 81 5.090 17.019 -6.579 1.00 0.00 C ATOM 1258 NZ LYS A 81 6.338 17.638 -7.103 1.00 0.00 N ATOM 0 H LYS A 81 2.322 17.138 -2.583 1.00 0.00 H new ATOM 0 HA LYS A 81 0.069 18.514 -3.799 1.00 0.00 H new ATOM 0 HB2 LYS A 81 1.605 18.833 -5.656 1.00 0.00 H new ATOM 0 HB3 LYS A 81 2.417 19.237 -4.157 1.00 0.00 H new ATOM 0 HG2 LYS A 81 3.622 17.123 -4.163 1.00 0.00 H new ATOM 0 HG3 LYS A 81 2.696 16.543 -5.532 1.00 0.00 H new ATOM 0 HD2 LYS A 81 3.607 18.548 -6.847 1.00 0.00 H new ATOM 0 HD3 LYS A 81 4.693 18.833 -5.502 1.00 0.00 H new ATOM 0 HE2 LYS A 81 5.341 16.303 -5.796 1.00 0.00 H new ATOM 0 HE3 LYS A 81 4.599 16.460 -7.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 6.966 16.895 -7.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 6.102 18.302 -7.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 6.820 18.150 -6.337 1.00 0.00 H new ATOM 1272 N ARG A 82 0.897 15.428 -4.556 1.00 0.00 N ATOM 1273 CA ARG A 82 0.445 14.224 -5.242 1.00 0.00 C ATOM 1274 C ARG A 82 -1.074 14.095 -5.169 1.00 0.00 C ATOM 1275 O ARG A 82 -1.661 14.141 -4.088 1.00 0.00 O ATOM 1276 CB ARG A 82 1.103 12.985 -4.630 1.00 0.00 C ATOM 1277 CG ARG A 82 2.555 12.802 -5.039 1.00 0.00 C ATOM 1278 CD ARG A 82 3.274 11.827 -4.121 1.00 0.00 C ATOM 1279 NE ARG A 82 4.725 11.969 -4.199 1.00 0.00 N ATOM 1280 CZ ARG A 82 5.495 11.228 -4.987 1.00 0.00 C ATOM 1281 NH1 ARG A 82 4.955 10.297 -5.761 1.00 0.00 N ATOM 1282 NH2 ARG A 82 6.808 11.418 -5.003 1.00 0.00 N ATOM 0 H ARG A 82 1.710 15.291 -3.955 1.00 0.00 H new ATOM 0 HA ARG A 82 0.736 14.302 -6.290 1.00 0.00 H new ATOM 0 HB2 ARG A 82 1.046 13.053 -3.544 1.00 0.00 H new ATOM 0 HB3 ARG A 82 0.537 12.101 -4.924 1.00 0.00 H new ATOM 0 HG2 ARG A 82 2.602 12.439 -6.066 1.00 0.00 H new ATOM 0 HG3 ARG A 82 3.064 13.766 -5.018 1.00 0.00 H new ATOM 0 HD2 ARG A 82 2.949 11.990 -3.093 1.00 0.00 H new ATOM 0 HD3 ARG A 82 2.995 10.807 -4.386 1.00 0.00 H new ATOM 0 HE ARG A 82 5.172 12.677 -3.616 1.00 0.00 H new ATOM 0 HH11 ARG A 82 3.946 10.149 -5.752 1.00 0.00 H new ATOM 0 HH12 ARG A 82 5.549 9.729 -6.366 1.00 0.00 H new ATOM 0 HH21 ARG A 82 7.227 12.134 -4.409 1.00 0.00 H new ATOM 0 HH22 ARG A 82 7.398 10.848 -5.609 1.00 0.00 H new ATOM 1296 N LYS A 83 -1.705 13.933 -6.327 1.00 0.00 N ATOM 1297 CA LYS A 83 -3.155 13.796 -6.396 1.00 0.00 C ATOM 1298 C LYS A 83 -3.565 12.327 -6.365 1.00 0.00 C ATOM 1299 O LYS A 83 -2.826 11.457 -6.823 1.00 0.00 O ATOM 1300 CB LYS A 83 -3.690 14.460 -7.667 1.00 0.00 C ATOM 1301 CG LYS A 83 -3.957 15.947 -7.511 1.00 0.00 C ATOM 1302 CD LYS A 83 -5.071 16.413 -8.433 1.00 0.00 C ATOM 1303 CE LYS A 83 -6.442 16.120 -7.843 1.00 0.00 C ATOM 1304 NZ LYS A 83 -6.730 16.975 -6.659 1.00 0.00 N ATOM 0 H LYS A 83 -1.235 13.893 -7.231 1.00 0.00 H new ATOM 0 HA LYS A 83 -3.584 14.293 -5.526 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -2.973 14.311 -8.474 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -4.613 13.963 -7.965 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -4.225 16.163 -6.477 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -3.047 16.506 -7.728 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -4.972 17.484 -8.613 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -4.976 15.918 -9.399 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -7.207 16.282 -8.603 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -6.497 15.070 -7.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -7.756 17.003 -6.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -6.254 16.581 -5.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -6.381 17.939 -6.834 1.00 0.00 H new ATOM 1318 N ASN A 84 -4.749 12.060 -5.824 1.00 0.00 N ATOM 1319 CA ASN A 84 -5.257 10.696 -5.735 1.00 0.00 C ATOM 1320 C ASN A 84 -4.352 9.834 -4.860 1.00 0.00 C ATOM 1321 O ASN A 84 -4.022 8.702 -5.214 1.00 0.00 O ATOM 1322 CB ASN A 84 -5.373 10.080 -7.130 1.00 0.00 C ATOM 1323 CG ASN A 84 -6.021 11.022 -8.126 1.00 0.00 C ATOM 1324 OD1 ASN A 84 -7.096 11.566 -7.873 1.00 0.00 O ATOM 1325 ND2 ASN A 84 -5.369 11.218 -9.266 1.00 0.00 N ATOM 0 H ASN A 84 -5.374 12.769 -5.441 1.00 0.00 H new ATOM 0 HA ASN A 84 -6.246 10.733 -5.278 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -4.380 9.805 -7.487 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -5.956 9.161 -7.071 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -5.757 11.841 -9.975 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -4.480 10.746 -9.433 1.00 0.00 H new ATOM 1332 N VAL A 85 -3.955 10.377 -3.713 1.00 0.00 N ATOM 1333 CA VAL A 85 -3.089 9.658 -2.786 1.00 0.00 C ATOM 1334 C VAL A 85 -3.819 9.344 -1.484 1.00 0.00 C ATOM 1335 O VAL A 85 -4.528 10.190 -0.938 1.00 0.00 O ATOM 1336 CB VAL A 85 -1.816 10.464 -2.467 1.00 0.00 C ATOM 1337 CG1 VAL A 85 -2.176 11.826 -1.893 1.00 0.00 C ATOM 1338 CG2 VAL A 85 -0.923 9.691 -1.508 1.00 0.00 C ATOM 0 H VAL A 85 -4.219 11.312 -3.404 1.00 0.00 H new ATOM 0 HA VAL A 85 -2.806 8.726 -3.275 1.00 0.00 H new ATOM 0 HB VAL A 85 -1.265 10.622 -3.394 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -1.264 12.381 -1.674 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -2.773 12.380 -2.618 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -2.750 11.694 -0.976 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -0.028 10.275 -1.293 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -1.463 9.501 -0.581 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -0.637 8.742 -1.962 1.00 0.00 H new ATOM 1348 N PHE A 86 -3.639 8.123 -0.992 1.00 0.00 N ATOM 1349 CA PHE A 86 -4.281 7.697 0.247 1.00 0.00 C ATOM 1350 C PHE A 86 -3.245 7.212 1.257 1.00 0.00 C ATOM 1351 O PHE A 86 -2.353 6.432 0.922 1.00 0.00 O ATOM 1352 CB PHE A 86 -5.293 6.585 -0.035 1.00 0.00 C ATOM 1353 CG PHE A 86 -4.792 5.548 -1.000 1.00 0.00 C ATOM 1354 CD1 PHE A 86 -4.613 5.858 -2.339 1.00 0.00 C ATOM 1355 CD2 PHE A 86 -4.501 4.264 -0.569 1.00 0.00 C ATOM 1356 CE1 PHE A 86 -4.152 4.907 -3.229 1.00 0.00 C ATOM 1357 CE2 PHE A 86 -4.039 3.309 -1.455 1.00 0.00 C ATOM 1358 CZ PHE A 86 -3.866 3.630 -2.787 1.00 0.00 C ATOM 0 H PHE A 86 -3.055 7.412 -1.431 1.00 0.00 H new ATOM 0 HA PHE A 86 -4.802 8.555 0.671 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -5.557 6.098 0.904 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -6.206 7.028 -0.432 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -4.836 6.854 -2.691 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -4.637 4.006 0.471 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -4.015 5.162 -4.270 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -3.813 2.312 -1.106 1.00 0.00 H new ATOM 0 HZ PHE A 86 -3.508 2.884 -3.481 1.00 0.00 H new ATOM 1368 N ARG A 87 -3.369 7.682 2.494 1.00 0.00 N ATOM 1369 CA ARG A 87 -2.444 7.299 3.553 1.00 0.00 C ATOM 1370 C ARG A 87 -2.946 6.062 4.293 1.00 0.00 C ATOM 1371 O ARG A 87 -4.039 6.066 4.860 1.00 0.00 O ATOM 1372 CB ARG A 87 -2.256 8.454 4.538 1.00 0.00 C ATOM 1373 CG ARG A 87 -1.279 8.145 5.661 1.00 0.00 C ATOM 1374 CD ARG A 87 -0.887 9.403 6.420 1.00 0.00 C ATOM 1375 NE ARG A 87 -1.969 9.886 7.274 1.00 0.00 N ATOM 1376 CZ ARG A 87 -2.254 9.367 8.463 1.00 0.00 C ATOM 1377 NH1 ARG A 87 -1.541 8.355 8.937 1.00 0.00 N ATOM 1378 NH2 ARG A 87 -3.253 9.862 9.182 1.00 0.00 N ATOM 0 H ARG A 87 -4.101 8.329 2.787 1.00 0.00 H new ATOM 0 HA ARG A 87 -1.484 7.062 3.094 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -1.905 9.331 3.994 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -3.223 8.713 4.970 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -1.728 7.429 6.349 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -0.386 7.674 5.249 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -0.007 9.199 7.030 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -0.609 10.183 5.711 1.00 0.00 H new ATOM 0 HE ARG A 87 -2.537 10.664 6.939 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -0.771 7.973 8.388 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -1.762 7.959 9.850 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -3.803 10.642 8.822 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -3.471 9.463 10.095 1.00 0.00 H new ATOM 1392 N LEU A 88 -2.140 5.006 4.283 1.00 0.00 N ATOM 1393 CA LEU A 88 -2.502 3.762 4.953 1.00 0.00 C ATOM 1394 C LEU A 88 -1.601 3.510 6.158 1.00 0.00 C ATOM 1395 O LEU A 88 -0.381 3.661 6.078 1.00 0.00 O ATOM 1396 CB LEU A 88 -2.407 2.588 3.977 1.00 0.00 C ATOM 1397 CG LEU A 88 -2.353 1.195 4.605 1.00 0.00 C ATOM 1398 CD1 LEU A 88 -2.979 0.166 3.676 1.00 0.00 C ATOM 1399 CD2 LEU A 88 -0.918 0.815 4.936 1.00 0.00 C ATOM 0 H LEU A 88 -1.232 4.986 3.819 1.00 0.00 H new ATOM 0 HA LEU A 88 -3.530 3.853 5.304 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -3.265 2.629 3.306 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -1.516 2.723 3.364 1.00 0.00 H new ATOM 0 HG LEU A 88 -2.926 1.213 5.532 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -2.931 -0.819 4.140 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -4.020 0.430 3.490 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -2.435 0.149 2.732 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -0.899 -0.179 5.382 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -0.322 0.815 4.023 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -0.504 1.537 5.640 1.00 0.00 H new ATOM 1411 N THR A 89 -2.209 3.122 7.274 1.00 0.00 N ATOM 1412 CA THR A 89 -1.463 2.847 8.496 1.00 0.00 C ATOM 1413 C THR A 89 -1.775 1.454 9.029 1.00 0.00 C ATOM 1414 O THR A 89 -2.925 1.137 9.335 1.00 0.00 O ATOM 1415 CB THR A 89 -1.774 3.885 9.590 1.00 0.00 C ATOM 1416 OG1 THR A 89 -1.507 5.205 9.104 1.00 0.00 O ATOM 1417 CG2 THR A 89 -0.946 3.621 10.838 1.00 0.00 C ATOM 0 H THR A 89 -3.217 2.991 7.357 1.00 0.00 H new ATOM 0 HA THR A 89 -0.405 2.906 8.240 1.00 0.00 H new ATOM 0 HB THR A 89 -2.829 3.801 9.849 1.00 0.00 H new ATOM 0 HG1 THR A 89 -1.709 5.859 9.805 1.00 0.00 H new ATOM 0 HG21 THR A 89 -1.183 4.367 11.596 1.00 0.00 H new ATOM 0 HG22 THR A 89 -1.174 2.627 11.223 1.00 0.00 H new ATOM 0 HG23 THR A 89 0.114 3.679 10.591 1.00 0.00 H new ATOM 1425 N THR A 90 -0.743 0.623 9.140 1.00 0.00 N ATOM 1426 CA THR A 90 -0.907 -0.738 9.636 1.00 0.00 C ATOM 1427 C THR A 90 -0.329 -0.884 11.039 1.00 0.00 C ATOM 1428 O THR A 90 0.720 -0.321 11.351 1.00 0.00 O ATOM 1429 CB THR A 90 -0.230 -1.761 8.705 1.00 0.00 C ATOM 1430 OG1 THR A 90 1.193 -1.612 8.765 1.00 0.00 O ATOM 1431 CG2 THR A 90 -0.704 -1.583 7.271 1.00 0.00 C ATOM 0 H THR A 90 0.216 0.869 8.893 1.00 0.00 H new ATOM 0 HA THR A 90 -1.978 -0.938 9.664 1.00 0.00 H new ATOM 0 HB THR A 90 -0.504 -2.761 9.040 1.00 0.00 H new ATOM 0 HG1 THR A 90 1.429 -0.669 8.643 1.00 0.00 H new ATOM 0 HG21 THR A 90 -0.212 -2.316 6.632 1.00 0.00 H new ATOM 0 HG22 THR A 90 -1.784 -1.726 7.224 1.00 0.00 H new ATOM 0 HG23 THR A 90 -0.456 -0.579 6.928 1.00 0.00 H new ATOM 1439 N SER A 91 -1.020 -1.645 11.882 1.00 0.00 N ATOM 1440 CA SER A 91 -0.576 -1.863 13.254 1.00 0.00 C ATOM 1441 C SER A 91 0.927 -2.120 13.305 1.00 0.00 C ATOM 1442 O SER A 91 1.593 -1.783 14.284 1.00 0.00 O ATOM 1443 CB SER A 91 -1.327 -3.043 13.874 1.00 0.00 C ATOM 1444 OG SER A 91 -1.381 -2.929 15.286 1.00 0.00 O ATOM 0 H SER A 91 -1.889 -2.121 11.639 1.00 0.00 H new ATOM 0 HA SER A 91 -0.793 -0.961 13.827 1.00 0.00 H new ATOM 0 HB2 SER A 91 -2.339 -3.086 13.471 1.00 0.00 H new ATOM 0 HB3 SER A 91 -0.834 -3.976 13.600 1.00 0.00 H new ATOM 0 HG SER A 91 -1.867 -3.694 15.658 1.00 0.00 H new ATOM 1450 N ASP A 92 1.454 -2.719 12.243 1.00 0.00 N ATOM 1451 CA ASP A 92 2.879 -3.021 12.164 1.00 0.00 C ATOM 1452 C ASP A 92 3.688 -1.756 11.896 1.00 0.00 C ATOM 1453 O ASP A 92 4.602 -1.420 12.651 1.00 0.00 O ATOM 1454 CB ASP A 92 3.143 -4.053 11.066 1.00 0.00 C ATOM 1455 CG ASP A 92 2.730 -5.453 11.475 1.00 0.00 C ATOM 1456 OD1 ASP A 92 1.604 -5.612 11.992 1.00 0.00 O ATOM 1457 OD2 ASP A 92 3.532 -6.389 11.279 1.00 0.00 O ATOM 0 H ASP A 92 0.916 -3.005 11.425 1.00 0.00 H new ATOM 0 HA ASP A 92 3.192 -3.434 13.123 1.00 0.00 H new ATOM 0 HB2 ASP A 92 2.601 -3.766 10.165 1.00 0.00 H new ATOM 0 HB3 ASP A 92 4.204 -4.049 10.815 1.00 0.00 H new ATOM 1462 N CYS A 93 3.348 -1.060 10.817 1.00 0.00 N ATOM 1463 CA CYS A 93 4.045 0.168 10.448 1.00 0.00 C ATOM 1464 C CYS A 93 3.140 1.081 9.628 1.00 0.00 C ATOM 1465 O CYS A 93 2.006 0.723 9.310 1.00 0.00 O ATOM 1466 CB CYS A 93 5.312 -0.159 9.657 1.00 0.00 C ATOM 1467 SG CYS A 93 5.232 -1.717 8.743 1.00 0.00 S ATOM 0 H CYS A 93 2.595 -1.324 10.182 1.00 0.00 H new ATOM 0 HA CYS A 93 4.322 0.689 11.364 1.00 0.00 H new ATOM 0 HB2 CYS A 93 5.508 0.652 8.955 1.00 0.00 H new ATOM 0 HB3 CYS A 93 6.157 -0.197 10.345 1.00 0.00 H new ATOM 0 HG CYS A 93 6.349 -1.904 8.105 1.00 0.00 H new ATOM 1473 N GLU A 94 3.648 2.262 9.290 1.00 0.00 N ATOM 1474 CA GLU A 94 2.884 3.227 8.509 1.00 0.00 C ATOM 1475 C GLU A 94 3.512 3.434 7.134 1.00 0.00 C ATOM 1476 O GLU A 94 4.722 3.280 6.963 1.00 0.00 O ATOM 1477 CB GLU A 94 2.800 4.564 9.249 1.00 0.00 C ATOM 1478 CG GLU A 94 1.512 5.326 8.986 1.00 0.00 C ATOM 1479 CD GLU A 94 1.606 6.227 7.770 1.00 0.00 C ATOM 1480 OE1 GLU A 94 2.575 6.081 6.996 1.00 0.00 O ATOM 1481 OE2 GLU A 94 0.709 7.078 7.592 1.00 0.00 O ATOM 0 H GLU A 94 4.585 2.573 9.545 1.00 0.00 H new ATOM 0 HA GLU A 94 1.878 2.830 8.374 1.00 0.00 H new ATOM 0 HB2 GLU A 94 2.893 4.383 10.320 1.00 0.00 H new ATOM 0 HB3 GLU A 94 3.646 5.186 8.956 1.00 0.00 H new ATOM 0 HG2 GLU A 94 0.697 4.616 8.846 1.00 0.00 H new ATOM 0 HG3 GLU A 94 1.265 5.927 9.861 1.00 0.00 H new ATOM 1488 N CYS A 95 2.682 3.781 6.157 1.00 0.00 N ATOM 1489 CA CYS A 95 3.155 4.008 4.796 1.00 0.00 C ATOM 1490 C CYS A 95 2.078 4.679 3.951 1.00 0.00 C ATOM 1491 O CYS A 95 0.886 4.568 4.241 1.00 0.00 O ATOM 1492 CB CYS A 95 3.574 2.685 4.153 1.00 0.00 C ATOM 1493 SG CYS A 95 2.227 1.492 3.973 1.00 0.00 S ATOM 0 H CYS A 95 1.678 3.911 6.282 1.00 0.00 H new ATOM 0 HA CYS A 95 4.019 4.671 4.843 1.00 0.00 H new ATOM 0 HB2 CYS A 95 3.998 2.889 3.170 1.00 0.00 H new ATOM 0 HB3 CYS A 95 4.365 2.236 4.754 1.00 0.00 H new ATOM 0 HG CYS A 95 1.867 1.429 2.725 1.00 0.00 H new ATOM 1499 N LEU A 96 2.504 5.377 2.904 1.00 0.00 N ATOM 1500 CA LEU A 96 1.576 6.069 2.016 1.00 0.00 C ATOM 1501 C LEU A 96 1.369 5.283 0.725 1.00 0.00 C ATOM 1502 O LEU A 96 2.078 4.314 0.456 1.00 0.00 O ATOM 1503 CB LEU A 96 2.095 7.472 1.696 1.00 0.00 C ATOM 1504 CG LEU A 96 1.876 8.531 2.776 1.00 0.00 C ATOM 1505 CD1 LEU A 96 2.836 9.695 2.584 1.00 0.00 C ATOM 1506 CD2 LEU A 96 0.435 9.018 2.762 1.00 0.00 C ATOM 0 H LEU A 96 3.486 5.479 2.649 1.00 0.00 H new ATOM 0 HA LEU A 96 0.617 6.152 2.527 1.00 0.00 H new ATOM 0 HB2 LEU A 96 3.164 7.405 1.493 1.00 0.00 H new ATOM 0 HB3 LEU A 96 1.617 7.814 0.778 1.00 0.00 H new ATOM 0 HG LEU A 96 2.075 8.078 3.747 1.00 0.00 H new ATOM 0 HD11 LEU A 96 2.666 10.439 3.362 1.00 0.00 H new ATOM 0 HD12 LEU A 96 3.863 9.334 2.646 1.00 0.00 H new ATOM 0 HD13 LEU A 96 2.669 10.147 1.606 1.00 0.00 H new ATOM 0 HD21 LEU A 96 0.298 9.771 3.538 1.00 0.00 H new ATOM 0 HD22 LEU A 96 0.208 9.453 1.789 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -0.235 8.179 2.949 1.00 0.00 H new ATOM 1518 N PHE A 97 0.395 5.710 -0.072 1.00 0.00 N ATOM 1519 CA PHE A 97 0.096 5.048 -1.336 1.00 0.00 C ATOM 1520 C PHE A 97 -0.554 6.018 -2.318 1.00 0.00 C ATOM 1521 O PHE A 97 -1.565 6.646 -2.007 1.00 0.00 O ATOM 1522 CB PHE A 97 -0.825 3.848 -1.102 1.00 0.00 C ATOM 1523 CG PHE A 97 -0.133 2.677 -0.464 1.00 0.00 C ATOM 1524 CD1 PHE A 97 0.783 1.922 -1.179 1.00 0.00 C ATOM 1525 CD2 PHE A 97 -0.400 2.331 0.851 1.00 0.00 C ATOM 1526 CE1 PHE A 97 1.421 0.845 -0.594 1.00 0.00 C ATOM 1527 CE2 PHE A 97 0.235 1.254 1.441 1.00 0.00 C ATOM 1528 CZ PHE A 97 1.146 0.510 0.717 1.00 0.00 C ATOM 0 H PHE A 97 -0.201 6.512 0.135 1.00 0.00 H new ATOM 0 HA PHE A 97 1.035 4.699 -1.765 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -1.657 4.157 -0.470 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -1.249 3.534 -2.056 1.00 0.00 H new ATOM 0 HD1 PHE A 97 1.001 2.178 -2.205 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -1.112 2.909 1.421 1.00 0.00 H new ATOM 0 HE1 PHE A 97 2.134 0.266 -1.162 1.00 0.00 H new ATOM 0 HE2 PHE A 97 0.019 0.995 2.467 1.00 0.00 H new ATOM 0 HZ PHE A 97 1.642 -0.332 1.176 1.00 0.00 H new ATOM 1538 N GLN A 98 0.036 6.134 -3.504 1.00 0.00 N ATOM 1539 CA GLN A 98 -0.484 7.028 -4.531 1.00 0.00 C ATOM 1540 C GLN A 98 -0.990 6.239 -5.734 1.00 0.00 C ATOM 1541 O GLN A 98 -0.381 5.249 -6.140 1.00 0.00 O ATOM 1542 CB GLN A 98 0.597 8.017 -4.971 1.00 0.00 C ATOM 1543 CG GLN A 98 0.052 9.213 -5.735 1.00 0.00 C ATOM 1544 CD GLN A 98 1.146 10.040 -6.382 1.00 0.00 C ATOM 1545 OE1 GLN A 98 2.323 9.681 -6.331 1.00 0.00 O ATOM 1546 NE2 GLN A 98 0.763 11.153 -6.995 1.00 0.00 N ATOM 0 H GLN A 98 0.874 5.620 -3.777 1.00 0.00 H new ATOM 0 HA GLN A 98 -1.321 7.582 -4.106 1.00 0.00 H new ATOM 0 HB2 GLN A 98 1.133 8.372 -4.091 1.00 0.00 H new ATOM 0 HB3 GLN A 98 1.322 7.496 -5.597 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -0.638 8.865 -6.504 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -0.521 9.843 -5.055 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -0.223 11.412 -7.013 1.00 0.00 H new ATOM 0 HE22 GLN A 98 1.455 11.749 -7.449 1.00 0.00 H new ATOM 1555 N ALA A 99 -2.106 6.685 -6.301 1.00 0.00 N ATOM 1556 CA ALA A 99 -2.692 6.021 -7.459 1.00 0.00 C ATOM 1557 C ALA A 99 -2.512 6.858 -8.721 1.00 0.00 C ATOM 1558 O ALA A 99 -1.899 7.925 -8.686 1.00 0.00 O ATOM 1559 CB ALA A 99 -4.168 5.740 -7.216 1.00 0.00 C ATOM 0 H ALA A 99 -2.622 7.503 -5.977 1.00 0.00 H new ATOM 0 HA ALA A 99 -2.172 5.074 -7.605 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -4.592 5.244 -8.089 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -4.277 5.096 -6.344 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -4.693 6.679 -7.041 1.00 0.00 H new ATOM 1565 N GLU A 100 -3.050 6.368 -9.833 1.00 0.00 N ATOM 1566 CA GLU A 100 -2.946 7.071 -11.106 1.00 0.00 C ATOM 1567 C GLU A 100 -4.216 7.869 -11.392 1.00 0.00 C ATOM 1568 O GLU A 100 -4.182 9.095 -11.496 1.00 0.00 O ATOM 1569 CB GLU A 100 -2.687 6.080 -12.242 1.00 0.00 C ATOM 1570 CG GLU A 100 -1.785 6.630 -13.335 1.00 0.00 C ATOM 1571 CD GLU A 100 -1.707 5.715 -14.542 1.00 0.00 C ATOM 1572 OE1 GLU A 100 -1.664 4.482 -14.351 1.00 0.00 O ATOM 1573 OE2 GLU A 100 -1.691 6.234 -15.678 1.00 0.00 O ATOM 0 H GLU A 100 -3.562 5.487 -9.878 1.00 0.00 H new ATOM 0 HA GLU A 100 -2.108 7.765 -11.041 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -2.236 5.177 -11.830 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -3.640 5.787 -12.682 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -2.153 7.607 -13.648 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -0.783 6.781 -12.933 1.00 0.00 H new ATOM 1580 N ASP A 101 -5.334 7.163 -11.518 1.00 0.00 N ATOM 1581 CA ASP A 101 -6.616 7.803 -11.792 1.00 0.00 C ATOM 1582 C ASP A 101 -7.467 7.876 -10.528 1.00 0.00 C ATOM 1583 O ASP A 101 -7.510 6.930 -9.741 1.00 0.00 O ATOM 1584 CB ASP A 101 -7.367 7.043 -12.885 1.00 0.00 C ATOM 1585 CG ASP A 101 -6.462 6.627 -14.028 1.00 0.00 C ATOM 1586 OD1 ASP A 101 -5.432 7.300 -14.244 1.00 0.00 O ATOM 1587 OD2 ASP A 101 -6.782 5.629 -14.705 1.00 0.00 O ATOM 0 H ASP A 101 -5.379 6.147 -11.435 1.00 0.00 H new ATOM 0 HA ASP A 101 -6.421 8.819 -12.137 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -7.832 6.157 -12.453 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -8.171 7.669 -13.272 1.00 0.00 H new ATOM 1592 N ARG A 102 -8.143 9.005 -10.340 1.00 0.00 N ATOM 1593 CA ARG A 102 -8.992 9.202 -9.171 1.00 0.00 C ATOM 1594 C ARG A 102 -9.811 7.949 -8.877 1.00 0.00 C ATOM 1595 O ARG A 102 -9.738 7.390 -7.782 1.00 0.00 O ATOM 1596 CB ARG A 102 -9.925 10.395 -9.387 1.00 0.00 C ATOM 1597 CG ARG A 102 -10.832 10.681 -8.201 1.00 0.00 C ATOM 1598 CD ARG A 102 -11.900 11.705 -8.552 1.00 0.00 C ATOM 1599 NE ARG A 102 -12.974 11.123 -9.352 1.00 0.00 N ATOM 1600 CZ ARG A 102 -14.203 11.624 -9.409 1.00 0.00 C ATOM 1601 NH1 ARG A 102 -14.511 12.712 -8.716 1.00 0.00 N ATOM 1602 NH2 ARG A 102 -15.126 11.038 -10.160 1.00 0.00 N ATOM 0 H ARG A 102 -8.119 9.797 -10.982 1.00 0.00 H new ATOM 0 HA ARG A 102 -8.348 9.404 -8.315 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -9.326 11.281 -9.597 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -10.540 10.210 -10.268 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -11.307 9.756 -7.873 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -10.236 11.047 -7.365 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -12.316 12.123 -7.636 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -11.445 12.530 -9.101 1.00 0.00 H new ATOM 0 HE ARG A 102 -12.769 10.286 -9.897 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -13.804 13.166 -8.138 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -15.455 13.095 -8.761 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -14.893 10.201 -10.695 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -16.069 11.424 -10.203 1.00 0.00 H new ATOM 1616 N ASP A 103 -10.591 7.513 -9.861 1.00 0.00 N ATOM 1617 CA ASP A 103 -11.423 6.326 -9.708 1.00 0.00 C ATOM 1618 C ASP A 103 -10.617 5.168 -9.128 1.00 0.00 C ATOM 1619 O ASP A 103 -11.065 4.488 -8.204 1.00 0.00 O ATOM 1620 CB ASP A 103 -12.024 5.922 -11.055 1.00 0.00 C ATOM 1621 CG ASP A 103 -13.058 6.915 -11.549 1.00 0.00 C ATOM 1622 OD1 ASP A 103 -12.827 8.134 -11.404 1.00 0.00 O ATOM 1623 OD2 ASP A 103 -14.097 6.473 -12.081 1.00 0.00 O ATOM 0 H ASP A 103 -10.664 7.964 -10.773 1.00 0.00 H new ATOM 0 HA ASP A 103 -12.230 6.565 -9.016 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -11.227 5.834 -11.793 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -12.484 4.938 -10.964 1.00 0.00 H new ATOM 1628 N ASP A 104 -9.428 4.948 -9.677 1.00 0.00 N ATOM 1629 CA ASP A 104 -8.559 3.872 -9.215 1.00 0.00 C ATOM 1630 C ASP A 104 -8.229 4.038 -7.735 1.00 0.00 C ATOM 1631 O ASP A 104 -8.272 3.077 -6.968 1.00 0.00 O ATOM 1632 CB ASP A 104 -7.270 3.840 -10.037 1.00 0.00 C ATOM 1633 CG ASP A 104 -7.447 3.127 -11.363 1.00 0.00 C ATOM 1634 OD1 ASP A 104 -8.198 2.130 -11.406 1.00 0.00 O ATOM 1635 OD2 ASP A 104 -6.834 3.565 -12.359 1.00 0.00 O ATOM 0 H ASP A 104 -9.043 5.501 -10.443 1.00 0.00 H new ATOM 0 HA ASP A 104 -9.088 2.928 -9.347 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -6.933 4.861 -10.219 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -6.488 3.344 -9.462 1.00 0.00 H new ATOM 1640 N MET A 105 -7.899 5.264 -7.341 1.00 0.00 N ATOM 1641 CA MET A 105 -7.561 5.556 -5.953 1.00 0.00 C ATOM 1642 C MET A 105 -8.698 5.150 -5.020 1.00 0.00 C ATOM 1643 O MET A 105 -8.497 4.384 -4.077 1.00 0.00 O ATOM 1644 CB MET A 105 -7.252 7.044 -5.782 1.00 0.00 C ATOM 1645 CG MET A 105 -7.004 7.452 -4.339 1.00 0.00 C ATOM 1646 SD MET A 105 -8.514 7.952 -3.489 1.00 0.00 S ATOM 1647 CE MET A 105 -8.674 9.645 -4.052 1.00 0.00 C ATOM 0 H MET A 105 -7.859 6.071 -7.964 1.00 0.00 H new ATOM 0 HA MET A 105 -6.675 4.977 -5.692 1.00 0.00 H new ATOM 0 HB2 MET A 105 -6.374 7.295 -6.378 1.00 0.00 H new ATOM 0 HB3 MET A 105 -8.084 7.627 -6.178 1.00 0.00 H new ATOM 0 HG2 MET A 105 -6.549 6.619 -3.803 1.00 0.00 H new ATOM 0 HG3 MET A 105 -6.289 8.275 -4.316 1.00 0.00 H new ATOM 0 HE1 MET A 105 -9.618 10.058 -3.698 1.00 0.00 H new ATOM 0 HE2 MET A 105 -7.848 10.239 -3.660 1.00 0.00 H new ATOM 0 HE3 MET A 105 -8.653 9.670 -5.142 1.00 0.00 H new ATOM 1657 N LEU A 106 -9.891 5.668 -5.290 1.00 0.00 N ATOM 1658 CA LEU A 106 -11.061 5.360 -4.475 1.00 0.00 C ATOM 1659 C LEU A 106 -11.245 3.852 -4.335 1.00 0.00 C ATOM 1660 O LEU A 106 -11.592 3.356 -3.263 1.00 0.00 O ATOM 1661 CB LEU A 106 -12.315 5.983 -5.090 1.00 0.00 C ATOM 1662 CG LEU A 106 -12.564 7.455 -4.759 1.00 0.00 C ATOM 1663 CD1 LEU A 106 -12.500 7.682 -3.256 1.00 0.00 C ATOM 1664 CD2 LEU A 106 -11.558 8.342 -5.478 1.00 0.00 C ATOM 0 H LEU A 106 -10.074 6.303 -6.067 1.00 0.00 H new ATOM 0 HA LEU A 106 -10.903 5.782 -3.483 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -12.254 5.880 -6.173 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -13.180 5.406 -4.764 1.00 0.00 H new ATOM 0 HG LEU A 106 -13.563 7.721 -5.104 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -12.679 8.735 -3.039 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -13.260 7.075 -2.764 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -11.514 7.398 -2.887 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -11.751 9.386 -5.230 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -10.549 8.075 -5.165 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -11.653 8.201 -6.555 1.00 0.00 H new ATOM 1676 N ALA A 107 -11.009 3.128 -5.424 1.00 0.00 N ATOM 1677 CA ALA A 107 -11.145 1.677 -5.422 1.00 0.00 C ATOM 1678 C ALA A 107 -10.228 1.042 -4.382 1.00 0.00 C ATOM 1679 O ALA A 107 -10.682 0.299 -3.512 1.00 0.00 O ATOM 1680 CB ALA A 107 -10.847 1.117 -6.804 1.00 0.00 C ATOM 0 H ALA A 107 -10.722 3.523 -6.320 1.00 0.00 H new ATOM 0 HA ALA A 107 -12.174 1.433 -5.158 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -10.952 0.032 -6.788 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -11.546 1.539 -7.526 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -9.828 1.378 -7.091 1.00 0.00 H new ATOM 1686 N TRP A 108 -8.937 1.338 -4.480 1.00 0.00 N ATOM 1687 CA TRP A 108 -7.956 0.794 -3.548 1.00 0.00 C ATOM 1688 C TRP A 108 -8.412 0.983 -2.105 1.00 0.00 C ATOM 1689 O TRP A 108 -8.428 0.034 -1.321 1.00 0.00 O ATOM 1690 CB TRP A 108 -6.597 1.464 -3.757 1.00 0.00 C ATOM 1691 CG TRP A 108 -5.733 0.755 -4.756 1.00 0.00 C ATOM 1692 CD1 TRP A 108 -5.443 1.166 -6.026 1.00 0.00 C ATOM 1693 CD2 TRP A 108 -5.049 -0.489 -4.568 1.00 0.00 C ATOM 1694 NE1 TRP A 108 -4.620 0.252 -6.639 1.00 0.00 N ATOM 1695 CE2 TRP A 108 -4.363 -0.772 -5.766 1.00 0.00 C ATOM 1696 CE3 TRP A 108 -4.948 -1.390 -3.505 1.00 0.00 C ATOM 1697 CZ2 TRP A 108 -3.589 -1.918 -5.927 1.00 0.00 C ATOM 1698 CZ3 TRP A 108 -4.180 -2.527 -3.666 1.00 0.00 C ATOM 1699 CH2 TRP A 108 -3.508 -2.783 -4.869 1.00 0.00 C ATOM 0 H TRP A 108 -8.545 1.951 -5.195 1.00 0.00 H new ATOM 0 HA TRP A 108 -7.861 -0.274 -3.743 1.00 0.00 H new ATOM 0 HB2 TRP A 108 -6.753 2.491 -4.086 1.00 0.00 H new ATOM 0 HB3 TRP A 108 -6.073 1.512 -2.803 1.00 0.00 H new ATOM 0 HD1 TRP A 108 -5.807 2.075 -6.481 1.00 0.00 H new ATOM 0 HE1 TRP A 108 -4.259 0.324 -7.590 1.00 0.00 H new ATOM 0 HE3 TRP A 108 -5.461 -1.201 -2.574 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 -3.071 -2.117 -6.853 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 -4.096 -3.231 -2.851 1.00 0.00 H new ATOM 0 HH2 TRP A 108 -2.915 -3.680 -4.963 1.00 0.00 H new ATOM 1710 N ILE A 109 -8.783 2.212 -1.762 1.00 0.00 N ATOM 1711 CA ILE A 109 -9.241 2.523 -0.414 1.00 0.00 C ATOM 1712 C ILE A 109 -10.286 1.518 0.057 1.00 0.00 C ATOM 1713 O ILE A 109 -10.141 0.904 1.115 1.00 0.00 O ATOM 1714 CB ILE A 109 -9.837 3.941 -0.335 1.00 0.00 C ATOM 1715 CG1 ILE A 109 -8.755 4.988 -0.608 1.00 0.00 C ATOM 1716 CG2 ILE A 109 -10.475 4.172 1.026 1.00 0.00 C ATOM 1717 CD1 ILE A 109 -9.301 6.385 -0.800 1.00 0.00 C ATOM 0 H ILE A 109 -8.775 3.008 -2.399 1.00 0.00 H new ATOM 0 HA ILE A 109 -8.368 2.468 0.236 1.00 0.00 H new ATOM 0 HB ILE A 109 -10.610 4.038 -1.097 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -8.049 4.994 0.222 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -8.198 4.699 -1.499 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -10.892 5.178 1.066 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -11.270 3.443 1.183 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -9.721 4.060 1.805 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -8.478 7.074 -0.989 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -9.985 6.395 -1.648 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -9.834 6.694 0.099 1.00 0.00 H new ATOM 1729 N LYS A 110 -11.339 1.352 -0.736 1.00 0.00 N ATOM 1730 CA LYS A 110 -12.409 0.419 -0.403 1.00 0.00 C ATOM 1731 C LYS A 110 -11.872 -1.004 -0.285 1.00 0.00 C ATOM 1732 O LYS A 110 -11.949 -1.622 0.778 1.00 0.00 O ATOM 1733 CB LYS A 110 -13.510 0.473 -1.465 1.00 0.00 C ATOM 1734 CG LYS A 110 -14.792 -0.227 -1.048 1.00 0.00 C ATOM 1735 CD LYS A 110 -15.996 0.325 -1.793 1.00 0.00 C ATOM 1736 CE LYS A 110 -16.529 1.587 -1.133 1.00 0.00 C ATOM 1737 NZ LYS A 110 -17.855 1.983 -1.684 1.00 0.00 N ATOM 0 H LYS A 110 -11.474 1.852 -1.615 1.00 0.00 H new ATOM 0 HA LYS A 110 -12.827 0.713 0.560 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -13.733 1.515 -1.693 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -13.140 0.018 -2.384 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -14.703 -1.296 -1.240 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -14.941 -0.107 0.025 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -15.719 0.542 -2.825 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -16.782 -0.429 -1.826 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -16.616 1.426 -0.058 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -15.818 2.400 -1.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -18.184 2.847 -1.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -17.768 2.161 -2.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -18.540 1.217 -1.524 1.00 0.00 H new ATOM 1751 N THR A 111 -11.326 -1.519 -1.382 1.00 0.00 N ATOM 1752 CA THR A 111 -10.776 -2.869 -1.401 1.00 0.00 C ATOM 1753 C THR A 111 -10.019 -3.172 -0.114 1.00 0.00 C ATOM 1754 O THR A 111 -10.400 -4.064 0.646 1.00 0.00 O ATOM 1755 CB THR A 111 -9.831 -3.073 -2.600 1.00 0.00 C ATOM 1756 OG1 THR A 111 -10.532 -2.829 -3.824 1.00 0.00 O ATOM 1757 CG2 THR A 111 -9.264 -4.485 -2.607 1.00 0.00 C ATOM 0 H THR A 111 -11.253 -1.021 -2.269 1.00 0.00 H new ATOM 0 HA THR A 111 -11.620 -3.553 -1.492 1.00 0.00 H new ATOM 0 HB THR A 111 -9.006 -2.367 -2.508 1.00 0.00 H new ATOM 0 HG1 THR A 111 -10.619 -1.863 -3.964 1.00 0.00 H new ATOM 0 HG21 THR A 111 -8.600 -4.606 -3.463 1.00 0.00 H new ATOM 0 HG22 THR A 111 -8.706 -4.658 -1.687 1.00 0.00 H new ATOM 0 HG23 THR A 111 -10.080 -5.204 -2.677 1.00 0.00 H new ATOM 1765 N ILE A 112 -8.947 -2.425 0.127 1.00 0.00 N ATOM 1766 CA ILE A 112 -8.138 -2.614 1.324 1.00 0.00 C ATOM 1767 C ILE A 112 -8.983 -2.477 2.586 1.00 0.00 C ATOM 1768 O ILE A 112 -9.082 -3.409 3.383 1.00 0.00 O ATOM 1769 CB ILE A 112 -6.977 -1.603 1.385 1.00 0.00 C ATOM 1770 CG1 ILE A 112 -6.145 -1.672 0.103 1.00 0.00 C ATOM 1771 CG2 ILE A 112 -6.106 -1.869 2.604 1.00 0.00 C ATOM 1772 CD1 ILE A 112 -5.465 -0.367 -0.247 1.00 0.00 C ATOM 0 H ILE A 112 -8.619 -1.683 -0.491 1.00 0.00 H new ATOM 0 HA ILE A 112 -7.728 -3.623 1.271 1.00 0.00 H new ATOM 0 HB ILE A 112 -7.393 -0.599 1.473 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -5.388 -2.449 0.212 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -6.790 -1.969 -0.724 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -5.290 -1.147 2.633 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -6.707 -1.774 3.508 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -5.696 -2.877 2.545 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -4.893 -0.490 -1.167 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -6.217 0.409 -0.388 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -4.794 -0.078 0.562 1.00 0.00 H new ATOM 1784 N GLN A 113 -9.592 -1.308 2.760 1.00 0.00 N ATOM 1785 CA GLN A 113 -10.430 -1.049 3.924 1.00 0.00 C ATOM 1786 C GLN A 113 -11.317 -2.251 4.234 1.00 0.00 C ATOM 1787 O GLN A 113 -11.557 -2.573 5.398 1.00 0.00 O ATOM 1788 CB GLN A 113 -11.294 0.191 3.692 1.00 0.00 C ATOM 1789 CG GLN A 113 -10.580 1.497 3.999 1.00 0.00 C ATOM 1790 CD GLN A 113 -11.531 2.594 4.434 1.00 0.00 C ATOM 1791 OE1 GLN A 113 -12.714 2.349 4.671 1.00 0.00 O ATOM 1792 NE2 GLN A 113 -11.018 3.815 4.542 1.00 0.00 N ATOM 0 H GLN A 113 -9.520 -0.526 2.109 1.00 0.00 H new ATOM 0 HA GLN A 113 -9.777 -0.872 4.778 1.00 0.00 H new ATOM 0 HB2 GLN A 113 -11.625 0.203 2.654 1.00 0.00 H new ATOM 0 HB3 GLN A 113 -12.188 0.121 4.311 1.00 0.00 H new ATOM 0 HG2 GLN A 113 -9.843 1.328 4.784 1.00 0.00 H new ATOM 0 HG3 GLN A 113 -10.034 1.825 3.114 1.00 0.00 H new ATOM 0 HE21 GLN A 113 -10.032 3.974 4.336 1.00 0.00 H new ATOM 0 HE22 GLN A 113 -11.610 4.593 4.831 1.00 0.00 H new ATOM 1801 N GLU A 114 -11.801 -2.909 3.186 1.00 0.00 N ATOM 1802 CA GLU A 114 -12.662 -4.074 3.348 1.00 0.00 C ATOM 1803 C GLU A 114 -11.877 -5.259 3.903 1.00 0.00 C ATOM 1804 O GLU A 114 -12.289 -5.890 4.876 1.00 0.00 O ATOM 1805 CB GLU A 114 -13.301 -4.454 2.010 1.00 0.00 C ATOM 1806 CG GLU A 114 -14.572 -3.681 1.702 1.00 0.00 C ATOM 1807 CD GLU A 114 -15.807 -4.326 2.301 1.00 0.00 C ATOM 1808 OE1 GLU A 114 -15.873 -4.443 3.542 1.00 0.00 O ATOM 1809 OE2 GLU A 114 -16.708 -4.713 1.527 1.00 0.00 O ATOM 0 H GLU A 114 -11.612 -2.655 2.216 1.00 0.00 H new ATOM 0 HA GLU A 114 -13.448 -3.816 4.058 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -12.579 -4.284 1.211 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -13.526 -5.520 2.014 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -14.476 -2.665 2.084 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -14.694 -3.605 0.621 1.00 0.00 H new ATOM 1816 N SER A 115 -10.742 -5.555 3.276 1.00 0.00 N ATOM 1817 CA SER A 115 -9.900 -6.666 3.704 1.00 0.00 C ATOM 1818 C SER A 115 -9.542 -6.539 5.181 1.00 0.00 C ATOM 1819 O SER A 115 -9.453 -7.535 5.898 1.00 0.00 O ATOM 1820 CB SER A 115 -8.625 -6.721 2.861 1.00 0.00 C ATOM 1821 OG SER A 115 -7.701 -5.727 3.268 1.00 0.00 O ATOM 0 H SER A 115 -10.385 -5.041 2.471 1.00 0.00 H new ATOM 0 HA SER A 115 -10.461 -7.590 3.563 1.00 0.00 H new ATOM 0 HB2 SER A 115 -8.168 -7.706 2.952 1.00 0.00 H new ATOM 0 HB3 SER A 115 -8.874 -6.581 1.809 1.00 0.00 H new ATOM 0 HG SER A 115 -8.156 -4.861 3.324 1.00 0.00 H new ATOM 1827 N SER A 116 -9.336 -5.304 5.630 1.00 0.00 N ATOM 1828 CA SER A 116 -8.983 -5.045 7.021 1.00 0.00 C ATOM 1829 C SER A 116 -10.219 -5.100 7.914 1.00 0.00 C ATOM 1830 O SER A 116 -10.135 -5.464 9.086 1.00 0.00 O ATOM 1831 CB SER A 116 -8.306 -3.679 7.151 1.00 0.00 C ATOM 1832 OG SER A 116 -9.173 -2.638 6.736 1.00 0.00 O ATOM 0 H SER A 116 -9.408 -4.468 5.050 1.00 0.00 H new ATOM 0 HA SER A 116 -8.288 -5.820 7.345 1.00 0.00 H new ATOM 0 HB2 SER A 116 -8.006 -3.516 8.186 1.00 0.00 H new ATOM 0 HB3 SER A 116 -7.397 -3.661 6.549 1.00 0.00 H new ATOM 0 HG SER A 116 -9.922 -3.018 6.230 1.00 0.00 H new ATOM 1838 N ASN A 117 -11.366 -4.734 7.350 1.00 0.00 N ATOM 1839 CA ASN A 117 -12.620 -4.741 8.094 1.00 0.00 C ATOM 1840 C ASN A 117 -13.018 -6.163 8.477 1.00 0.00 C ATOM 1841 O ASN A 117 -12.635 -7.127 7.812 1.00 0.00 O ATOM 1842 CB ASN A 117 -13.732 -4.093 7.267 1.00 0.00 C ATOM 1843 CG ASN A 117 -14.852 -3.546 8.130 1.00 0.00 C ATOM 1844 OD1 ASN A 117 -15.721 -4.290 8.584 1.00 0.00 O ATOM 1845 ND2 ASN A 117 -14.835 -2.238 8.362 1.00 0.00 N ATOM 0 H ASN A 117 -11.452 -4.429 6.381 1.00 0.00 H new ATOM 0 HA ASN A 117 -12.474 -4.165 9.008 1.00 0.00 H new ATOM 0 HB2 ASN A 117 -13.311 -3.285 6.668 1.00 0.00 H new ATOM 0 HB3 ASN A 117 -14.139 -4.827 6.572 1.00 0.00 H new ATOM 0 HD21 ASN A 117 -15.562 -1.813 8.937 1.00 0.00 H new ATOM 0 HD22 ASN A 117 -14.095 -1.659 7.965 1.00 0.00 H new