USER MOD reduce.3.24.130724 H: found=0, std=0, add=825, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 827 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 86 CYS SG : rot -150:sc= 0.00787 USER MOD Set 1.2: A 90 LYS NZ :NH3+ -154:sc= 0.00857 (180deg=-0.589) USER MOD Set 2.1: A 80 CYS SG : rot 126:sc= 0.819 USER MOD Set 2.2: A 95 CYS SG : rot 27:sc= 0.865 USER MOD Set 3.1: A 54 MET CE :methyl -166:sc= -6.08! (180deg=-6.5!) USER MOD Set 3.2: A 58 CYS SG : rot 38:sc= -2.33! USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= 0.0239 X(o=0.024,f=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 163:sc= 0 (180deg=-0.175) USER MOD Single : A 26 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0514) USER MOD Single : A 27 ASN : amide:sc= -1.43 K(o=-1.4,f=-4.9!) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 HIS : no HD1:sc= 0 X(o=0,f=-0.0025) USER MOD Single : A 39 TYR OH : rot 177:sc= -0.366 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= -0.594 X(o=-0.59,f=-0.44) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -0.0321 X(o=-0.032,f=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 HIS : no HD1:sc= -5.43! C(o=-5.4!,f=-6.1!) USER MOD Single : A 60 ASN : amide:sc= -0.0216 X(o=-0.022,f=-0.0094) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 HIS : no HD1:sc= -0.568 X(o=-0.57,f=-0.63) USER MOD Single : A 71 GLN : amide:sc= -1.03 X(o=-1,f=-0.89) USER MOD Single : A 76 LYS NZ :NH3+ -161:sc= 0.844 (180deg=-0.0529) USER MOD Single : A 83 GLN : amide:sc= -1.35 K(o=-1.4,f=-3!) USER MOD Single : A 91 THR OG1 : rot -26:sc= 0.376 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot -63:sc= 0.502 USER MOD Single : A 102 CYS SG : rot -167:sc= 0.33 USER MOD Single : A 106 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0176) USER MOD Single : A 108 THR OG1 : rot 73:sc= 0.485 USER MOD Single : A 110 GLN :FLIP amide:sc= -0.907 F(o=-3.7!,f=-0.91) USER MOD Single : A 112 SER OG : rot 3:sc= -0.492 USER MOD ----------------------------------------------------------------- ATOM 66 N PHE A 8 -12.727 -2.693 -7.482 1.00 0.00 N ATOM 67 CA PHE A 8 -11.690 -1.982 -6.744 1.00 0.00 C ATOM 68 C PHE A 8 -11.289 -0.700 -7.468 1.00 0.00 C ATOM 69 O PHE A 8 -11.081 -0.698 -8.681 1.00 0.00 O ATOM 70 CB PHE A 8 -10.464 -2.878 -6.554 1.00 0.00 C ATOM 71 CG PHE A 8 -10.789 -4.219 -5.962 1.00 0.00 C ATOM 72 CD1 PHE A 8 -11.745 -4.339 -4.966 1.00 0.00 C ATOM 73 CD2 PHE A 8 -10.138 -5.361 -6.401 1.00 0.00 C ATOM 74 CE1 PHE A 8 -12.045 -5.572 -4.419 1.00 0.00 C ATOM 75 CE2 PHE A 8 -10.434 -6.597 -5.858 1.00 0.00 C ATOM 76 CZ PHE A 8 -11.389 -6.703 -4.867 1.00 0.00 C ATOM 0 HA PHE A 8 -12.092 -1.716 -5.767 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -9.977 -3.024 -7.518 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -9.748 -2.369 -5.909 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -12.262 -3.459 -4.613 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -9.390 -5.284 -7.177 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -12.791 -5.652 -3.642 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -9.919 -7.479 -6.209 1.00 0.00 H new ATOM 0 HZ PHE A 8 -11.623 -7.668 -4.442 1.00 0.00 H new ATOM 86 N VAL A 9 -11.184 0.390 -6.714 1.00 0.00 N ATOM 87 CA VAL A 9 -10.808 1.679 -7.283 1.00 0.00 C ATOM 88 C VAL A 9 -9.525 1.567 -8.099 1.00 0.00 C ATOM 89 O VAL A 9 -9.519 1.817 -9.305 1.00 0.00 O ATOM 90 CB VAL A 9 -10.613 2.741 -6.184 1.00 0.00 C ATOM 91 CG1 VAL A 9 -10.486 4.127 -6.798 1.00 0.00 C ATOM 92 CG2 VAL A 9 -11.761 2.694 -5.188 1.00 0.00 C ATOM 0 H VAL A 9 -11.354 0.406 -5.708 1.00 0.00 H new ATOM 0 HA VAL A 9 -11.624 1.987 -7.936 1.00 0.00 H new ATOM 0 HB VAL A 9 -9.689 2.520 -5.649 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -10.349 4.864 -6.007 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -9.627 4.151 -7.469 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -11.391 4.361 -7.359 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -11.607 3.451 -4.419 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -12.700 2.889 -5.706 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -11.800 1.708 -4.724 1.00 0.00 H new ATOM 102 N LYS A 10 -8.439 1.188 -7.435 1.00 0.00 N ATOM 103 CA LYS A 10 -7.148 1.040 -8.098 1.00 0.00 C ATOM 104 C LYS A 10 -6.461 -0.252 -7.668 1.00 0.00 C ATOM 105 O LYS A 10 -6.630 -0.710 -6.538 1.00 0.00 O ATOM 106 CB LYS A 10 -6.249 2.238 -7.782 1.00 0.00 C ATOM 107 CG LYS A 10 -4.895 2.178 -8.466 1.00 0.00 C ATOM 108 CD LYS A 10 -4.056 3.405 -8.151 1.00 0.00 C ATOM 109 CE LYS A 10 -2.575 3.141 -8.377 1.00 0.00 C ATOM 110 NZ LYS A 10 -2.259 2.958 -9.821 1.00 0.00 N ATOM 0 H LYS A 10 -8.427 0.977 -6.437 1.00 0.00 H new ATOM 0 HA LYS A 10 -7.322 0.998 -9.173 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -6.759 3.153 -8.083 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -6.100 2.296 -6.704 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -4.364 1.281 -8.146 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -5.034 2.098 -9.544 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -4.378 4.237 -8.777 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -4.220 3.703 -7.115 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -1.993 3.973 -7.980 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -2.276 2.251 -7.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -1.241 2.780 -9.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -2.795 2.148 -10.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -2.521 3.817 -10.345 1.00 0.00 H new ATOM 124 N SER A 11 -5.685 -0.834 -8.576 1.00 0.00 N ATOM 125 CA SER A 11 -4.973 -2.075 -8.292 1.00 0.00 C ATOM 126 C SER A 11 -3.612 -2.091 -8.979 1.00 0.00 C ATOM 127 O SER A 11 -3.494 -1.753 -10.156 1.00 0.00 O ATOM 128 CB SER A 11 -5.801 -3.278 -8.747 1.00 0.00 C ATOM 129 OG SER A 11 -5.939 -3.298 -10.158 1.00 0.00 O ATOM 0 H SER A 11 -5.533 -0.466 -9.515 1.00 0.00 H new ATOM 0 HA SER A 11 -4.817 -2.136 -7.215 1.00 0.00 H new ATOM 0 HB2 SER A 11 -5.324 -4.199 -8.412 1.00 0.00 H new ATOM 0 HB3 SER A 11 -6.786 -3.242 -8.283 1.00 0.00 H new ATOM 0 HG SER A 11 -6.471 -4.077 -10.424 1.00 0.00 H new ATOM 135 N GLY A 12 -2.584 -2.485 -8.233 1.00 0.00 N ATOM 136 CA GLY A 12 -1.243 -2.537 -8.787 1.00 0.00 C ATOM 137 C GLY A 12 -0.289 -3.333 -7.919 1.00 0.00 C ATOM 138 O GLY A 12 -0.569 -3.587 -6.747 1.00 0.00 O ATOM 0 H GLY A 12 -2.656 -2.769 -7.256 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -1.281 -2.981 -9.782 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -0.862 -1.523 -8.905 1.00 0.00 H new ATOM 142 N TRP A 13 0.841 -3.730 -8.495 1.00 0.00 N ATOM 143 CA TRP A 13 1.839 -4.504 -7.766 1.00 0.00 C ATOM 144 C TRP A 13 2.668 -3.604 -6.856 1.00 0.00 C ATOM 145 O TRP A 13 3.177 -2.569 -7.287 1.00 0.00 O ATOM 146 CB TRP A 13 2.754 -5.244 -8.743 1.00 0.00 C ATOM 147 CG TRP A 13 2.194 -6.555 -9.205 1.00 0.00 C ATOM 148 CD1 TRP A 13 1.780 -6.871 -10.467 1.00 0.00 C ATOM 149 CD2 TRP A 13 1.984 -7.726 -8.407 1.00 0.00 C ATOM 150 NE1 TRP A 13 1.326 -8.167 -10.503 1.00 0.00 N ATOM 151 CE2 TRP A 13 1.441 -8.714 -9.252 1.00 0.00 C ATOM 152 CE3 TRP A 13 2.203 -8.036 -7.062 1.00 0.00 C ATOM 153 CZ2 TRP A 13 1.115 -9.987 -8.794 1.00 0.00 C ATOM 154 CZ3 TRP A 13 1.878 -9.300 -6.609 1.00 0.00 C ATOM 155 CH2 TRP A 13 1.340 -10.264 -7.473 1.00 0.00 C ATOM 0 H TRP A 13 1.088 -3.529 -9.464 1.00 0.00 H new ATOM 0 HA TRP A 13 1.316 -5.232 -7.146 1.00 0.00 H new ATOM 0 HB2 TRP A 13 2.937 -4.609 -9.610 1.00 0.00 H new ATOM 0 HB3 TRP A 13 3.719 -5.417 -8.266 1.00 0.00 H new ATOM 0 HD1 TRP A 13 1.806 -6.200 -11.313 1.00 0.00 H new ATOM 0 HE1 TRP A 13 0.962 -8.645 -11.327 1.00 0.00 H new ATOM 0 HE3 TRP A 13 2.619 -7.301 -6.389 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 0.699 -10.730 -9.458 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 2.041 -9.550 -5.571 1.00 0.00 H new ATOM 0 HH2 TRP A 13 1.099 -11.244 -7.089 1.00 0.00 H new ATOM 166 N LEU A 14 2.800 -4.004 -5.596 1.00 0.00 N ATOM 167 CA LEU A 14 3.569 -3.233 -4.625 1.00 0.00 C ATOM 168 C LEU A 14 4.182 -4.146 -3.568 1.00 0.00 C ATOM 169 O LEU A 14 3.621 -5.190 -3.233 1.00 0.00 O ATOM 170 CB LEU A 14 2.677 -2.186 -3.956 1.00 0.00 C ATOM 171 CG LEU A 14 1.878 -1.284 -4.898 1.00 0.00 C ATOM 172 CD1 LEU A 14 0.912 -0.413 -4.110 1.00 0.00 C ATOM 173 CD2 LEU A 14 2.814 -0.424 -5.734 1.00 0.00 C ATOM 0 H LEU A 14 2.385 -4.858 -5.223 1.00 0.00 H new ATOM 0 HA LEU A 14 4.377 -2.728 -5.155 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.977 -2.701 -3.298 1.00 0.00 H new ATOM 0 HB3 LEU A 14 3.302 -1.555 -3.325 1.00 0.00 H new ATOM 0 HG LEU A 14 1.299 -1.916 -5.572 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.352 0.222 -4.796 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.220 -1.047 -3.556 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.471 0.211 -3.412 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.228 0.211 -6.398 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.420 0.200 -5.076 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.466 -1.066 -6.327 1.00 0.00 H new ATOM 185 N LEU A 15 5.336 -3.744 -3.045 1.00 0.00 N ATOM 186 CA LEU A 15 6.025 -4.525 -2.024 1.00 0.00 C ATOM 187 C LEU A 15 5.562 -4.123 -0.627 1.00 0.00 C ATOM 188 O LEU A 15 5.100 -3.002 -0.414 1.00 0.00 O ATOM 189 CB LEU A 15 7.538 -4.337 -2.145 1.00 0.00 C ATOM 190 CG LEU A 15 8.130 -4.544 -3.539 1.00 0.00 C ATOM 191 CD1 LEU A 15 9.387 -3.705 -3.716 1.00 0.00 C ATOM 192 CD2 LEU A 15 8.432 -6.016 -3.777 1.00 0.00 C ATOM 0 H LEU A 15 5.813 -2.883 -3.311 1.00 0.00 H new ATOM 0 HA LEU A 15 5.782 -5.576 -2.180 1.00 0.00 H new ATOM 0 HB2 LEU A 15 7.787 -3.329 -1.812 1.00 0.00 H new ATOM 0 HB3 LEU A 15 8.026 -5.029 -1.458 1.00 0.00 H new ATOM 0 HG LEU A 15 7.395 -4.220 -4.276 1.00 0.00 H new ATOM 0 HD11 LEU A 15 9.794 -3.866 -4.714 1.00 0.00 H new ATOM 0 HD12 LEU A 15 9.141 -2.651 -3.590 1.00 0.00 H new ATOM 0 HD13 LEU A 15 10.127 -3.997 -2.971 1.00 0.00 H new ATOM 0 HD21 LEU A 15 8.853 -6.144 -4.774 1.00 0.00 H new ATOM 0 HD22 LEU A 15 9.148 -6.365 -3.033 1.00 0.00 H new ATOM 0 HD23 LEU A 15 7.512 -6.594 -3.694 1.00 0.00 H new ATOM 204 N ARG A 16 5.690 -5.045 0.322 1.00 0.00 N ATOM 205 CA ARG A 16 5.286 -4.787 1.698 1.00 0.00 C ATOM 206 C ARG A 16 6.264 -5.425 2.681 1.00 0.00 C ATOM 207 O ARG A 16 6.589 -6.606 2.568 1.00 0.00 O ATOM 208 CB ARG A 16 3.875 -5.323 1.947 1.00 0.00 C ATOM 209 CG ARG A 16 3.367 -5.071 3.357 1.00 0.00 C ATOM 210 CD ARG A 16 1.887 -5.395 3.483 1.00 0.00 C ATOM 211 NE ARG A 16 1.656 -6.815 3.732 1.00 0.00 N ATOM 212 CZ ARG A 16 1.860 -7.397 4.908 1.00 0.00 C ATOM 213 NH1 ARG A 16 2.296 -6.685 5.938 1.00 0.00 N ATOM 214 NH2 ARG A 16 1.628 -8.695 5.056 1.00 0.00 N ATOM 0 H ARG A 16 6.071 -5.978 0.162 1.00 0.00 H new ATOM 0 HA ARG A 16 5.291 -3.708 1.855 1.00 0.00 H new ATOM 0 HB2 ARG A 16 3.190 -4.862 1.235 1.00 0.00 H new ATOM 0 HB3 ARG A 16 3.863 -6.395 1.752 1.00 0.00 H new ATOM 0 HG2 ARG A 16 3.935 -5.677 4.063 1.00 0.00 H new ATOM 0 HG3 ARG A 16 3.536 -4.028 3.625 1.00 0.00 H new ATOM 0 HD2 ARG A 16 1.456 -4.810 4.295 1.00 0.00 H new ATOM 0 HD3 ARG A 16 1.372 -5.099 2.569 1.00 0.00 H new ATOM 0 HE ARG A 16 1.320 -7.391 2.961 1.00 0.00 H new ATOM 0 HH11 ARG A 16 2.476 -5.687 5.828 1.00 0.00 H new ATOM 0 HH12 ARG A 16 2.452 -7.135 6.840 1.00 0.00 H new ATOM 0 HH21 ARG A 16 1.293 -9.246 4.266 1.00 0.00 H new ATOM 0 HH22 ARG A 16 1.785 -9.141 5.960 1.00 0.00 H new ATOM 228 N GLN A 17 6.728 -4.634 3.643 1.00 0.00 N ATOM 229 CA GLN A 17 7.670 -5.121 4.644 1.00 0.00 C ATOM 230 C GLN A 17 6.934 -5.649 5.872 1.00 0.00 C ATOM 231 O GLN A 17 6.397 -4.876 6.665 1.00 0.00 O ATOM 232 CB GLN A 17 8.635 -4.007 5.052 1.00 0.00 C ATOM 233 CG GLN A 17 9.963 -4.518 5.585 1.00 0.00 C ATOM 234 CD GLN A 17 10.763 -3.440 6.290 1.00 0.00 C ATOM 235 OE1 GLN A 17 10.808 -3.388 7.520 1.00 0.00 O ATOM 236 NE2 GLN A 17 11.400 -2.571 5.513 1.00 0.00 N ATOM 0 H GLN A 17 6.467 -3.654 3.750 1.00 0.00 H new ATOM 0 HA GLN A 17 8.239 -5.940 4.204 1.00 0.00 H new ATOM 0 HB2 GLN A 17 8.821 -3.366 4.191 1.00 0.00 H new ATOM 0 HB3 GLN A 17 8.161 -3.388 5.814 1.00 0.00 H new ATOM 0 HG2 GLN A 17 9.780 -5.340 6.277 1.00 0.00 H new ATOM 0 HG3 GLN A 17 10.551 -4.920 4.760 1.00 0.00 H new ATOM 0 HE21 GLN A 17 11.335 -2.651 4.498 1.00 0.00 H new ATOM 0 HE22 GLN A 17 11.954 -1.823 5.931 1.00 0.00 H new ATOM 245 N SER A 18 6.914 -6.969 6.021 1.00 0.00 N ATOM 246 CA SER A 18 6.240 -7.600 7.150 1.00 0.00 C ATOM 247 C SER A 18 7.110 -7.542 8.403 1.00 0.00 C ATOM 248 O SER A 18 8.239 -7.052 8.367 1.00 0.00 O ATOM 249 CB SER A 18 5.899 -9.055 6.820 1.00 0.00 C ATOM 250 OG SER A 18 4.750 -9.482 7.529 1.00 0.00 O ATOM 0 H SER A 18 7.356 -7.622 5.375 1.00 0.00 H new ATOM 0 HA SER A 18 5.317 -7.053 7.343 1.00 0.00 H new ATOM 0 HB2 SER A 18 5.728 -9.158 5.748 1.00 0.00 H new ATOM 0 HB3 SER A 18 6.744 -9.696 7.071 1.00 0.00 H new ATOM 0 HG SER A 18 4.552 -10.414 7.300 1.00 0.00 H new ATOM 256 N THR A 19 6.575 -8.045 9.511 1.00 0.00 N ATOM 257 CA THR A 19 7.299 -8.050 10.775 1.00 0.00 C ATOM 258 C THR A 19 7.940 -9.409 11.037 1.00 0.00 C ATOM 259 O THR A 19 8.806 -9.540 11.901 1.00 0.00 O ATOM 260 CB THR A 19 6.373 -7.697 11.954 1.00 0.00 C ATOM 261 OG1 THR A 19 5.417 -6.712 11.548 1.00 0.00 O ATOM 262 CG2 THR A 19 7.177 -7.174 13.136 1.00 0.00 C ATOM 0 H THR A 19 5.642 -8.454 9.558 1.00 0.00 H new ATOM 0 HA THR A 19 8.079 -7.293 10.695 1.00 0.00 H new ATOM 0 HB THR A 19 5.852 -8.603 12.262 1.00 0.00 H new ATOM 0 HG1 THR A 19 4.831 -6.494 12.303 1.00 0.00 H new ATOM 0 HG21 THR A 19 6.502 -6.931 13.957 1.00 0.00 H new ATOM 0 HG22 THR A 19 7.884 -7.937 13.461 1.00 0.00 H new ATOM 0 HG23 THR A 19 7.722 -6.278 12.838 1.00 0.00 H new ATOM 270 N ILE A 20 7.509 -10.415 10.284 1.00 0.00 N ATOM 271 CA ILE A 20 8.043 -11.763 10.434 1.00 0.00 C ATOM 272 C ILE A 20 9.108 -12.053 9.382 1.00 0.00 C ATOM 273 O ILE A 20 10.104 -12.722 9.658 1.00 0.00 O ATOM 274 CB ILE A 20 6.931 -12.824 10.329 1.00 0.00 C ATOM 275 CG1 ILE A 20 5.807 -12.517 11.320 1.00 0.00 C ATOM 276 CG2 ILE A 20 7.499 -14.213 10.577 1.00 0.00 C ATOM 277 CD1 ILE A 20 4.849 -11.451 10.836 1.00 0.00 C ATOM 0 H ILE A 20 6.792 -10.322 9.564 1.00 0.00 H new ATOM 0 HA ILE A 20 8.492 -11.816 11.426 1.00 0.00 H new ATOM 0 HB ILE A 20 6.518 -12.797 9.321 1.00 0.00 H new ATOM 0 HG12 ILE A 20 5.249 -13.432 11.519 1.00 0.00 H new ATOM 0 HG13 ILE A 20 6.245 -12.198 12.266 1.00 0.00 H new ATOM 0 HG21 ILE A 20 6.701 -14.952 10.499 1.00 0.00 H new ATOM 0 HG22 ILE A 20 8.267 -14.430 9.835 1.00 0.00 H new ATOM 0 HG23 ILE A 20 7.936 -14.255 11.575 1.00 0.00 H new ATOM 0 HD11 ILE A 20 4.079 -11.285 11.589 1.00 0.00 H new ATOM 0 HD12 ILE A 20 5.394 -10.523 10.664 1.00 0.00 H new ATOM 0 HD13 ILE A 20 4.383 -11.776 9.906 1.00 0.00 H new ATOM 289 N LEU A 21 8.892 -11.543 8.174 1.00 0.00 N ATOM 290 CA LEU A 21 9.834 -11.745 7.079 1.00 0.00 C ATOM 291 C LEU A 21 10.929 -10.683 7.100 1.00 0.00 C ATOM 292 O LEU A 21 11.959 -10.824 6.439 1.00 0.00 O ATOM 293 CB LEU A 21 9.102 -11.712 5.737 1.00 0.00 C ATOM 294 CG LEU A 21 8.212 -12.917 5.428 1.00 0.00 C ATOM 295 CD1 LEU A 21 7.215 -13.147 6.553 1.00 0.00 C ATOM 296 CD2 LEU A 21 7.489 -12.721 4.103 1.00 0.00 C ATOM 0 H LEU A 21 8.073 -10.987 7.928 1.00 0.00 H new ATOM 0 HA LEU A 21 10.299 -12.723 7.208 1.00 0.00 H new ATOM 0 HB2 LEU A 21 8.487 -10.813 5.704 1.00 0.00 H new ATOM 0 HB3 LEU A 21 9.844 -11.620 4.943 1.00 0.00 H new ATOM 0 HG LEU A 21 8.845 -13.800 5.346 1.00 0.00 H new ATOM 0 HD11 LEU A 21 6.591 -14.008 6.315 1.00 0.00 H new ATOM 0 HD12 LEU A 21 7.752 -13.334 7.483 1.00 0.00 H new ATOM 0 HD13 LEU A 21 6.586 -12.264 6.668 1.00 0.00 H new ATOM 0 HD21 LEU A 21 6.861 -13.588 3.900 1.00 0.00 H new ATOM 0 HD22 LEU A 21 6.868 -11.827 4.156 1.00 0.00 H new ATOM 0 HD23 LEU A 21 8.220 -12.607 3.303 1.00 0.00 H new ATOM 308 N LYS A 22 10.701 -9.621 7.865 1.00 0.00 N ATOM 309 CA LYS A 22 11.669 -8.536 7.976 1.00 0.00 C ATOM 310 C LYS A 22 12.326 -8.253 6.629 1.00 0.00 C ATOM 311 O LYS A 22 13.549 -8.149 6.535 1.00 0.00 O ATOM 312 CB LYS A 22 12.738 -8.882 9.015 1.00 0.00 C ATOM 313 CG LYS A 22 12.381 -8.443 10.424 1.00 0.00 C ATOM 314 CD LYS A 22 12.491 -6.936 10.584 1.00 0.00 C ATOM 315 CE LYS A 22 12.631 -6.539 12.045 1.00 0.00 C ATOM 316 NZ LYS A 22 12.528 -5.065 12.232 1.00 0.00 N ATOM 0 H LYS A 22 9.854 -9.488 8.418 1.00 0.00 H new ATOM 0 HA LYS A 22 11.137 -7.640 8.296 1.00 0.00 H new ATOM 0 HB2 LYS A 22 12.902 -9.960 9.010 1.00 0.00 H new ATOM 0 HB3 LYS A 22 13.679 -8.415 8.725 1.00 0.00 H new ATOM 0 HG2 LYS A 22 11.365 -8.761 10.659 1.00 0.00 H new ATOM 0 HG3 LYS A 22 13.042 -8.935 11.138 1.00 0.00 H new ATOM 0 HD2 LYS A 22 13.351 -6.571 10.023 1.00 0.00 H new ATOM 0 HD3 LYS A 22 11.608 -6.459 10.159 1.00 0.00 H new ATOM 0 HE2 LYS A 22 11.857 -7.034 12.632 1.00 0.00 H new ATOM 0 HE3 LYS A 22 13.591 -6.887 12.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 12.628 -4.835 13.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 13.282 -4.593 11.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 11.602 -4.736 11.893 1.00 0.00 H new ATOM 330 N ARG A 23 11.507 -8.130 5.590 1.00 0.00 N ATOM 331 CA ARG A 23 12.010 -7.859 4.248 1.00 0.00 C ATOM 332 C ARG A 23 10.882 -7.409 3.325 1.00 0.00 C ATOM 333 O ARG A 23 9.704 -7.566 3.647 1.00 0.00 O ATOM 334 CB ARG A 23 12.688 -9.104 3.674 1.00 0.00 C ATOM 335 CG ARG A 23 11.710 -10.138 3.139 1.00 0.00 C ATOM 336 CD ARG A 23 12.390 -11.477 2.903 1.00 0.00 C ATOM 337 NE ARG A 23 12.814 -12.104 4.152 1.00 0.00 N ATOM 338 CZ ARG A 23 13.140 -13.387 4.256 1.00 0.00 C ATOM 339 NH1 ARG A 23 13.092 -14.176 3.191 1.00 0.00 N ATOM 340 NH2 ARG A 23 13.517 -13.884 5.427 1.00 0.00 N ATOM 0 H ARG A 23 10.492 -8.214 5.651 1.00 0.00 H new ATOM 0 HA ARG A 23 12.742 -7.054 4.317 1.00 0.00 H new ATOM 0 HB2 ARG A 23 13.361 -8.803 2.871 1.00 0.00 H new ATOM 0 HB3 ARG A 23 13.301 -9.563 4.449 1.00 0.00 H new ATOM 0 HG2 ARG A 23 10.890 -10.265 3.846 1.00 0.00 H new ATOM 0 HG3 ARG A 23 11.275 -9.780 2.206 1.00 0.00 H new ATOM 0 HD2 ARG A 23 11.706 -12.143 2.377 1.00 0.00 H new ATOM 0 HD3 ARG A 23 13.256 -11.335 2.257 1.00 0.00 H new ATOM 0 HE ARG A 23 12.862 -11.525 4.990 1.00 0.00 H new ATOM 0 HH11 ARG A 23 12.804 -13.798 2.289 1.00 0.00 H new ATOM 0 HH12 ARG A 23 13.343 -15.161 3.274 1.00 0.00 H new ATOM 0 HH21 ARG A 23 13.557 -13.280 6.248 1.00 0.00 H new ATOM 0 HH22 ARG A 23 13.767 -14.870 5.506 1.00 0.00 H new ATOM 354 N TRP A 24 11.250 -6.849 2.179 1.00 0.00 N ATOM 355 CA TRP A 24 10.269 -6.375 1.209 1.00 0.00 C ATOM 356 C TRP A 24 9.745 -7.527 0.358 1.00 0.00 C ATOM 357 O TRP A 24 10.509 -8.192 -0.342 1.00 0.00 O ATOM 358 CB TRP A 24 10.885 -5.301 0.312 1.00 0.00 C ATOM 359 CG TRP A 24 11.135 -4.005 1.023 1.00 0.00 C ATOM 360 CD1 TRP A 24 12.295 -3.612 1.626 1.00 0.00 C ATOM 361 CD2 TRP A 24 10.202 -2.934 1.205 1.00 0.00 C ATOM 362 NE1 TRP A 24 12.140 -2.361 2.173 1.00 0.00 N ATOM 363 CE2 TRP A 24 10.866 -1.923 1.927 1.00 0.00 C ATOM 364 CE3 TRP A 24 8.873 -2.730 0.826 1.00 0.00 C ATOM 365 CZ2 TRP A 24 10.242 -0.728 2.278 1.00 0.00 C ATOM 366 CZ3 TRP A 24 8.256 -1.544 1.176 1.00 0.00 C ATOM 367 CH2 TRP A 24 8.940 -0.555 1.895 1.00 0.00 C ATOM 0 H TRP A 24 12.221 -6.712 1.898 1.00 0.00 H new ATOM 0 HA TRP A 24 9.432 -5.943 1.758 1.00 0.00 H new ATOM 0 HB2 TRP A 24 11.826 -5.672 -0.093 1.00 0.00 H new ATOM 0 HB3 TRP A 24 10.222 -5.121 -0.535 1.00 0.00 H new ATOM 0 HD1 TRP A 24 13.201 -4.198 1.667 1.00 0.00 H new ATOM 0 HE1 TRP A 24 12.857 -1.843 2.680 1.00 0.00 H new ATOM 0 HE3 TRP A 24 8.338 -3.485 0.270 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 10.768 0.035 2.833 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 7.228 -1.376 0.890 1.00 0.00 H new ATOM 0 HH2 TRP A 24 8.430 0.362 2.152 1.00 0.00 H new ATOM 378 N LYS A 25 8.438 -7.758 0.423 1.00 0.00 N ATOM 379 CA LYS A 25 7.811 -8.829 -0.343 1.00 0.00 C ATOM 380 C LYS A 25 6.733 -8.276 -1.270 1.00 0.00 C ATOM 381 O LYS A 25 5.918 -7.446 -0.866 1.00 0.00 O ATOM 382 CB LYS A 25 7.204 -9.870 0.599 1.00 0.00 C ATOM 383 CG LYS A 25 6.143 -9.304 1.528 1.00 0.00 C ATOM 384 CD LYS A 25 5.223 -10.394 2.053 1.00 0.00 C ATOM 385 CE LYS A 25 4.288 -9.863 3.129 1.00 0.00 C ATOM 386 NZ LYS A 25 3.749 -10.956 3.984 1.00 0.00 N ATOM 0 H LYS A 25 7.792 -7.218 0.999 1.00 0.00 H new ATOM 0 HA LYS A 25 8.580 -9.304 -0.952 1.00 0.00 H new ATOM 0 HB2 LYS A 25 6.765 -10.672 0.006 1.00 0.00 H new ATOM 0 HB3 LYS A 25 8.000 -10.314 1.197 1.00 0.00 H new ATOM 0 HG2 LYS A 25 6.624 -8.798 2.365 1.00 0.00 H new ATOM 0 HG3 LYS A 25 5.555 -8.555 0.997 1.00 0.00 H new ATOM 0 HD2 LYS A 25 4.637 -10.805 1.231 1.00 0.00 H new ATOM 0 HD3 LYS A 25 5.820 -11.211 2.459 1.00 0.00 H new ATOM 0 HE2 LYS A 25 4.821 -9.145 3.751 1.00 0.00 H new ATOM 0 HE3 LYS A 25 3.462 -9.328 2.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 3.361 -10.552 4.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 2.996 -11.459 3.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 4.513 -11.622 4.218 1.00 0.00 H new ATOM 400 N LYS A 26 6.733 -8.742 -2.514 1.00 0.00 N ATOM 401 CA LYS A 26 5.753 -8.297 -3.498 1.00 0.00 C ATOM 402 C LYS A 26 4.360 -8.812 -3.150 1.00 0.00 C ATOM 403 O LYS A 26 4.189 -9.978 -2.798 1.00 0.00 O ATOM 404 CB LYS A 26 6.151 -8.775 -4.896 1.00 0.00 C ATOM 405 CG LYS A 26 5.504 -7.980 -6.018 1.00 0.00 C ATOM 406 CD LYS A 26 6.078 -6.576 -6.109 1.00 0.00 C ATOM 407 CE LYS A 26 7.275 -6.523 -7.045 1.00 0.00 C ATOM 408 NZ LYS A 26 6.864 -6.591 -8.475 1.00 0.00 N ATOM 0 H LYS A 26 7.401 -9.428 -2.865 1.00 0.00 H new ATOM 0 HA LYS A 26 5.731 -7.207 -3.486 1.00 0.00 H new ATOM 0 HB2 LYS A 26 7.235 -8.714 -4.997 1.00 0.00 H new ATOM 0 HB3 LYS A 26 5.879 -9.825 -5.003 1.00 0.00 H new ATOM 0 HG2 LYS A 26 5.654 -8.498 -6.965 1.00 0.00 H new ATOM 0 HG3 LYS A 26 4.428 -7.924 -5.852 1.00 0.00 H new ATOM 0 HD2 LYS A 26 5.308 -5.889 -6.462 1.00 0.00 H new ATOM 0 HD3 LYS A 26 6.376 -6.238 -5.116 1.00 0.00 H new ATOM 0 HE2 LYS A 26 7.832 -5.602 -6.871 1.00 0.00 H new ATOM 0 HE3 LYS A 26 7.948 -7.350 -6.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 7.683 -6.383 -9.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 6.508 -7.544 -8.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 6.114 -5.893 -8.654 1.00 0.00 H new ATOM 422 N ASN A 27 3.367 -7.934 -3.253 1.00 0.00 N ATOM 423 CA ASN A 27 1.988 -8.301 -2.950 1.00 0.00 C ATOM 424 C ASN A 27 1.016 -7.573 -3.874 1.00 0.00 C ATOM 425 O ASN A 27 1.410 -6.684 -4.629 1.00 0.00 O ATOM 426 CB ASN A 27 1.661 -7.976 -1.491 1.00 0.00 C ATOM 427 CG ASN A 27 2.565 -8.711 -0.519 1.00 0.00 C ATOM 428 OD1 ASN A 27 3.353 -8.096 0.199 1.00 0.00 O ATOM 429 ND2 ASN A 27 2.453 -10.034 -0.492 1.00 0.00 N ATOM 0 H ASN A 27 3.491 -6.964 -3.544 1.00 0.00 H new ATOM 0 HA ASN A 27 1.880 -9.374 -3.110 1.00 0.00 H new ATOM 0 HB2 ASN A 27 1.756 -6.902 -1.331 1.00 0.00 H new ATOM 0 HB3 ASN A 27 0.623 -8.238 -1.287 1.00 0.00 H new ATOM 0 HD21 ASN A 27 3.034 -10.582 0.142 1.00 0.00 H new ATOM 0 HD22 ASN A 27 1.786 -10.502 -1.105 1.00 0.00 H new ATOM 436 N TRP A 28 -0.253 -7.957 -3.808 1.00 0.00 N ATOM 437 CA TRP A 28 -1.282 -7.342 -4.638 1.00 0.00 C ATOM 438 C TRP A 28 -2.228 -6.495 -3.794 1.00 0.00 C ATOM 439 O TRP A 28 -2.872 -6.997 -2.873 1.00 0.00 O ATOM 440 CB TRP A 28 -2.071 -8.416 -5.389 1.00 0.00 C ATOM 441 CG TRP A 28 -3.033 -7.854 -6.392 1.00 0.00 C ATOM 442 CD1 TRP A 28 -4.396 -7.913 -6.342 1.00 0.00 C ATOM 443 CD2 TRP A 28 -2.704 -7.150 -7.594 1.00 0.00 C ATOM 444 NE1 TRP A 28 -4.935 -7.288 -7.441 1.00 0.00 N ATOM 445 CE2 TRP A 28 -3.917 -6.811 -8.224 1.00 0.00 C ATOM 446 CE3 TRP A 28 -1.502 -6.771 -8.199 1.00 0.00 C ATOM 447 CZ2 TRP A 28 -3.961 -6.113 -9.428 1.00 0.00 C ATOM 448 CZ3 TRP A 28 -1.547 -6.079 -9.394 1.00 0.00 C ATOM 449 CH2 TRP A 28 -2.769 -5.755 -9.998 1.00 0.00 C ATOM 0 H TRP A 28 -0.594 -8.692 -3.188 1.00 0.00 H new ATOM 0 HA TRP A 28 -0.789 -6.692 -5.361 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -1.373 -9.080 -5.898 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -2.621 -9.023 -4.669 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -4.967 -8.382 -5.554 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -5.931 -7.195 -7.641 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -0.555 -7.015 -7.740 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -4.902 -5.863 -9.895 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -0.624 -5.783 -9.871 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -2.771 -5.212 -10.932 1.00 0.00 H new ATOM 460 N PHE A 29 -2.308 -5.207 -4.114 1.00 0.00 N ATOM 461 CA PHE A 29 -3.176 -4.291 -3.384 1.00 0.00 C ATOM 462 C PHE A 29 -4.402 -3.924 -4.215 1.00 0.00 C ATOM 463 O PHE A 29 -4.345 -3.894 -5.445 1.00 0.00 O ATOM 464 CB PHE A 29 -2.408 -3.024 -3.001 1.00 0.00 C ATOM 465 CG PHE A 29 -1.399 -3.241 -1.910 1.00 0.00 C ATOM 466 CD1 PHE A 29 -0.228 -3.939 -2.160 1.00 0.00 C ATOM 467 CD2 PHE A 29 -1.622 -2.749 -0.634 1.00 0.00 C ATOM 468 CE1 PHE A 29 0.703 -4.140 -1.158 1.00 0.00 C ATOM 469 CE2 PHE A 29 -0.695 -2.947 0.371 1.00 0.00 C ATOM 470 CZ PHE A 29 0.468 -3.645 0.109 1.00 0.00 C ATOM 0 H PHE A 29 -1.782 -4.775 -4.874 1.00 0.00 H new ATOM 0 HA PHE A 29 -3.511 -4.793 -2.477 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -1.899 -2.637 -3.884 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -3.118 -2.261 -2.682 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -0.041 -4.330 -3.149 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -2.531 -2.205 -0.423 1.00 0.00 H new ATOM 0 HE1 PHE A 29 1.613 -4.683 -1.366 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -0.879 -2.556 1.361 1.00 0.00 H new ATOM 0 HZ PHE A 29 1.192 -3.803 0.894 1.00 0.00 H new ATOM 480 N ASP A 30 -5.509 -3.647 -3.535 1.00 0.00 N ATOM 481 CA ASP A 30 -6.749 -3.282 -4.210 1.00 0.00 C ATOM 482 C ASP A 30 -7.614 -2.399 -3.315 1.00 0.00 C ATOM 483 O ASP A 30 -8.083 -2.833 -2.262 1.00 0.00 O ATOM 484 CB ASP A 30 -7.525 -4.537 -4.612 1.00 0.00 C ATOM 485 CG ASP A 30 -6.737 -5.427 -5.553 1.00 0.00 C ATOM 486 OD1 ASP A 30 -6.366 -4.953 -6.646 1.00 0.00 O ATOM 487 OD2 ASP A 30 -6.493 -6.599 -5.196 1.00 0.00 O ATOM 0 H ASP A 30 -5.573 -3.668 -2.517 1.00 0.00 H new ATOM 0 HA ASP A 30 -6.493 -2.720 -5.108 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -7.787 -5.101 -3.717 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -8.460 -4.245 -5.090 1.00 0.00 H new ATOM 492 N LEU A 31 -7.822 -1.158 -3.741 1.00 0.00 N ATOM 493 CA LEU A 31 -8.630 -0.213 -2.978 1.00 0.00 C ATOM 494 C LEU A 31 -10.108 -0.353 -3.329 1.00 0.00 C ATOM 495 O LEU A 31 -10.461 -0.614 -4.480 1.00 0.00 O ATOM 496 CB LEU A 31 -8.164 1.220 -3.246 1.00 0.00 C ATOM 497 CG LEU A 31 -8.697 2.288 -2.292 1.00 0.00 C ATOM 498 CD1 LEU A 31 -7.910 2.282 -0.990 1.00 0.00 C ATOM 499 CD2 LEU A 31 -8.642 3.662 -2.944 1.00 0.00 C ATOM 0 H LEU A 31 -7.443 -0.783 -4.610 1.00 0.00 H new ATOM 0 HA LEU A 31 -8.504 -0.437 -1.919 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -7.075 1.239 -3.209 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -8.454 1.491 -4.261 1.00 0.00 H new ATOM 0 HG LEU A 31 -9.738 2.057 -2.065 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -8.304 3.049 -0.323 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -8.001 1.306 -0.514 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -6.860 2.487 -1.199 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -9.026 4.410 -2.250 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -7.610 3.901 -3.202 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -9.251 3.660 -3.848 1.00 0.00 H new ATOM 511 N TRP A 32 -10.967 -0.175 -2.332 1.00 0.00 N ATOM 512 CA TRP A 32 -12.407 -0.280 -2.536 1.00 0.00 C ATOM 513 C TRP A 32 -13.032 1.099 -2.721 1.00 0.00 C ATOM 514 O TRP A 32 -12.398 2.119 -2.451 1.00 0.00 O ATOM 515 CB TRP A 32 -13.060 -0.996 -1.353 1.00 0.00 C ATOM 516 CG TRP A 32 -12.749 -2.461 -1.299 1.00 0.00 C ATOM 517 CD1 TRP A 32 -11.531 -3.048 -1.496 1.00 0.00 C ATOM 518 CD2 TRP A 32 -13.670 -3.524 -1.033 1.00 0.00 C ATOM 519 NE1 TRP A 32 -11.641 -4.411 -1.369 1.00 0.00 N ATOM 520 CE2 TRP A 32 -12.942 -4.728 -1.084 1.00 0.00 C ATOM 521 CE3 TRP A 32 -15.039 -3.575 -0.755 1.00 0.00 C ATOM 522 CZ2 TRP A 32 -13.539 -5.968 -0.867 1.00 0.00 C ATOM 523 CZ3 TRP A 32 -15.630 -4.805 -0.541 1.00 0.00 C ATOM 524 CH2 TRP A 32 -14.880 -5.988 -0.597 1.00 0.00 C ATOM 0 H TRP A 32 -10.691 0.043 -1.374 1.00 0.00 H new ATOM 0 HA TRP A 32 -12.579 -0.861 -3.442 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -12.729 -0.527 -0.426 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -14.140 -0.863 -1.409 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -10.617 -2.518 -1.719 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -10.877 -5.079 -1.471 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -15.624 -2.669 -0.708 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -12.964 -6.881 -0.910 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -16.687 -4.856 -0.327 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -15.371 -6.934 -0.423 1.00 0.00 H new ATOM 535 N SER A 33 -14.279 1.122 -3.181 1.00 0.00 N ATOM 536 CA SER A 33 -14.988 2.376 -3.405 1.00 0.00 C ATOM 537 C SER A 33 -15.327 3.052 -2.080 1.00 0.00 C ATOM 538 O SER A 33 -15.437 4.276 -2.005 1.00 0.00 O ATOM 539 CB SER A 33 -16.268 2.127 -4.205 1.00 0.00 C ATOM 540 OG SER A 33 -17.119 3.259 -4.170 1.00 0.00 O ATOM 0 H SER A 33 -14.819 0.286 -3.406 1.00 0.00 H new ATOM 0 HA SER A 33 -14.335 3.037 -3.974 1.00 0.00 H new ATOM 0 HB2 SER A 33 -16.015 1.890 -5.238 1.00 0.00 H new ATOM 0 HB3 SER A 33 -16.792 1.262 -3.799 1.00 0.00 H new ATOM 0 HG SER A 33 -17.929 3.075 -4.690 1.00 0.00 H new ATOM 546 N ASP A 34 -15.490 2.246 -1.037 1.00 0.00 N ATOM 547 CA ASP A 34 -15.815 2.765 0.287 1.00 0.00 C ATOM 548 C ASP A 34 -14.551 3.178 1.034 1.00 0.00 C ATOM 549 O ASP A 34 -14.611 3.603 2.187 1.00 0.00 O ATOM 550 CB ASP A 34 -16.581 1.716 1.095 1.00 0.00 C ATOM 551 CG ASP A 34 -16.150 0.301 0.763 1.00 0.00 C ATOM 552 OD1 ASP A 34 -14.929 0.064 0.646 1.00 0.00 O ATOM 553 OD2 ASP A 34 -17.034 -0.570 0.621 1.00 0.00 O ATOM 0 H ASP A 34 -15.403 1.231 -1.082 1.00 0.00 H new ATOM 0 HA ASP A 34 -16.444 3.646 0.161 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -16.429 1.899 2.159 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -17.649 1.822 0.903 1.00 0.00 H new ATOM 558 N GLY A 35 -13.407 3.048 0.369 1.00 0.00 N ATOM 559 CA GLY A 35 -12.145 3.411 0.987 1.00 0.00 C ATOM 560 C GLY A 35 -11.408 2.211 1.547 1.00 0.00 C ATOM 561 O GLY A 35 -10.192 2.253 1.737 1.00 0.00 O ATOM 0 H GLY A 35 -13.332 2.698 -0.586 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -11.514 3.910 0.252 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -12.329 4.127 1.788 1.00 0.00 H new ATOM 565 N HIS A 36 -12.144 1.137 1.813 1.00 0.00 N ATOM 566 CA HIS A 36 -11.553 -0.081 2.357 1.00 0.00 C ATOM 567 C HIS A 36 -10.436 -0.592 1.452 1.00 0.00 C ATOM 568 O HIS A 36 -10.591 -0.655 0.232 1.00 0.00 O ATOM 569 CB HIS A 36 -12.622 -1.160 2.527 1.00 0.00 C ATOM 570 CG HIS A 36 -13.326 -1.102 3.847 1.00 0.00 C ATOM 571 ND1 HIS A 36 -14.537 -0.467 4.027 1.00 0.00 N ATOM 572 CD2 HIS A 36 -12.985 -1.606 5.056 1.00 0.00 C ATOM 573 CE1 HIS A 36 -14.909 -0.581 5.290 1.00 0.00 C ATOM 574 NE2 HIS A 36 -13.984 -1.269 5.935 1.00 0.00 N ATOM 0 H HIS A 36 -13.151 1.085 1.661 1.00 0.00 H new ATOM 0 HA HIS A 36 -11.128 0.154 3.333 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -13.357 -1.061 1.728 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -12.159 -2.140 2.414 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -12.093 -2.169 5.286 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -15.814 -0.180 5.721 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -14.008 -1.511 6.926 1.00 0.00 H new ATOM 583 N LEU A 37 -9.311 -0.956 2.057 1.00 0.00 N ATOM 584 CA LEU A 37 -8.167 -1.462 1.306 1.00 0.00 C ATOM 585 C LEU A 37 -7.852 -2.902 1.698 1.00 0.00 C ATOM 586 O LEU A 37 -7.734 -3.222 2.881 1.00 0.00 O ATOM 587 CB LEU A 37 -6.942 -0.577 1.546 1.00 0.00 C ATOM 588 CG LEU A 37 -5.623 -1.085 0.964 1.00 0.00 C ATOM 589 CD1 LEU A 37 -5.607 -0.920 -0.548 1.00 0.00 C ATOM 590 CD2 LEU A 37 -4.446 -0.354 1.594 1.00 0.00 C ATOM 0 H LEU A 37 -9.166 -0.910 3.066 1.00 0.00 H new ATOM 0 HA LEU A 37 -8.421 -1.440 0.246 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -7.144 0.410 1.129 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -6.816 -0.449 2.621 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.532 -2.147 1.194 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -4.660 -1.287 -0.944 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -6.428 -1.489 -0.985 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -5.721 0.134 -0.800 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -3.515 -0.728 1.168 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.532 0.714 1.395 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.446 -0.524 2.671 1.00 0.00 H new ATOM 602 N ILE A 38 -7.716 -3.766 0.697 1.00 0.00 N ATOM 603 CA ILE A 38 -7.412 -5.171 0.937 1.00 0.00 C ATOM 604 C ILE A 38 -6.395 -5.693 -0.072 1.00 0.00 C ATOM 605 O ILE A 38 -6.575 -5.549 -1.282 1.00 0.00 O ATOM 606 CB ILE A 38 -8.681 -6.041 0.868 1.00 0.00 C ATOM 607 CG1 ILE A 38 -9.765 -5.474 1.786 1.00 0.00 C ATOM 608 CG2 ILE A 38 -8.358 -7.479 1.247 1.00 0.00 C ATOM 609 CD1 ILE A 38 -11.072 -6.232 1.718 1.00 0.00 C ATOM 0 H ILE A 38 -7.812 -3.517 -0.288 1.00 0.00 H new ATOM 0 HA ILE A 38 -6.991 -5.236 1.940 1.00 0.00 H new ATOM 0 HB ILE A 38 -9.056 -6.030 -0.155 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -9.401 -5.484 2.814 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -9.945 -4.432 1.522 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -9.265 -8.082 1.194 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -7.615 -7.879 0.557 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -7.963 -7.508 2.262 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -11.794 -5.774 2.395 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -11.459 -6.200 0.699 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -10.907 -7.269 2.011 1.00 0.00 H new ATOM 621 N TYR A 39 -5.328 -6.302 0.433 1.00 0.00 N ATOM 622 CA TYR A 39 -4.282 -6.846 -0.425 1.00 0.00 C ATOM 623 C TYR A 39 -4.206 -8.364 -0.296 1.00 0.00 C ATOM 624 O TYR A 39 -4.535 -8.927 0.749 1.00 0.00 O ATOM 625 CB TYR A 39 -2.929 -6.225 -0.071 1.00 0.00 C ATOM 626 CG TYR A 39 -2.793 -5.863 1.391 1.00 0.00 C ATOM 627 CD1 TYR A 39 -3.425 -4.740 1.911 1.00 0.00 C ATOM 628 CD2 TYR A 39 -2.034 -6.645 2.253 1.00 0.00 C ATOM 629 CE1 TYR A 39 -3.303 -4.406 3.245 1.00 0.00 C ATOM 630 CE2 TYR A 39 -1.907 -6.319 3.589 1.00 0.00 C ATOM 631 CZ TYR A 39 -2.543 -5.198 4.081 1.00 0.00 C ATOM 632 OH TYR A 39 -2.420 -4.869 5.411 1.00 0.00 O ATOM 0 H TYR A 39 -5.165 -6.431 1.431 1.00 0.00 H new ATOM 0 HA TYR A 39 -4.529 -6.599 -1.457 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -2.137 -6.924 -0.339 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -2.781 -5.329 -0.674 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -4.022 -4.118 1.260 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -1.535 -7.523 1.871 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -3.800 -3.529 3.632 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -1.313 -6.938 4.245 1.00 0.00 H new ATOM 0 HH TYR A 39 -1.892 -5.555 5.870 1.00 0.00 H new ATOM 642 N TYR A 40 -3.770 -9.021 -1.365 1.00 0.00 N ATOM 643 CA TYR A 40 -3.653 -10.474 -1.373 1.00 0.00 C ATOM 644 C TYR A 40 -2.191 -10.902 -1.457 1.00 0.00 C ATOM 645 O TYR A 40 -1.297 -10.071 -1.619 1.00 0.00 O ATOM 646 CB TYR A 40 -4.436 -11.063 -2.548 1.00 0.00 C ATOM 647 CG TYR A 40 -5.908 -10.721 -2.527 1.00 0.00 C ATOM 648 CD1 TYR A 40 -6.353 -9.457 -2.894 1.00 0.00 C ATOM 649 CD2 TYR A 40 -6.855 -11.662 -2.141 1.00 0.00 C ATOM 650 CE1 TYR A 40 -7.697 -9.139 -2.875 1.00 0.00 C ATOM 651 CE2 TYR A 40 -8.201 -11.354 -2.121 1.00 0.00 C ATOM 652 CZ TYR A 40 -8.618 -10.091 -2.488 1.00 0.00 C ATOM 653 OH TYR A 40 -9.958 -9.780 -2.470 1.00 0.00 O ATOM 0 H TYR A 40 -3.492 -8.570 -2.237 1.00 0.00 H new ATOM 0 HA TYR A 40 -4.071 -10.852 -0.440 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -4.001 -10.703 -3.480 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -4.323 -12.147 -2.542 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -5.635 -8.710 -3.200 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -6.533 -12.651 -1.852 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -8.025 -8.151 -3.161 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -8.924 -12.098 -1.820 1.00 0.00 H new ATOM 0 HH TYR A 40 -10.471 -10.561 -2.175 1.00 0.00 H new ATOM 663 N ASP A 41 -1.955 -12.205 -1.345 1.00 0.00 N ATOM 664 CA ASP A 41 -0.602 -12.745 -1.409 1.00 0.00 C ATOM 665 C ASP A 41 -0.002 -12.546 -2.797 1.00 0.00 C ATOM 666 O ASP A 41 1.184 -12.247 -2.935 1.00 0.00 O ATOM 667 CB ASP A 41 -0.607 -14.232 -1.051 1.00 0.00 C ATOM 668 CG ASP A 41 0.790 -14.819 -0.997 1.00 0.00 C ATOM 669 OD1 ASP A 41 1.464 -14.654 0.041 1.00 0.00 O ATOM 670 OD2 ASP A 41 1.209 -15.444 -1.994 1.00 0.00 O ATOM 0 H ASP A 41 -2.683 -12.906 -1.209 1.00 0.00 H new ATOM 0 HA ASP A 41 0.012 -12.207 -0.687 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -1.093 -14.369 -0.085 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -1.199 -14.778 -1.786 1.00 0.00 H new ATOM 675 N ASP A 42 -0.830 -12.714 -3.823 1.00 0.00 N ATOM 676 CA ASP A 42 -0.381 -12.552 -5.201 1.00 0.00 C ATOM 677 C ASP A 42 -1.570 -12.434 -6.150 1.00 0.00 C ATOM 678 O ASP A 42 -2.723 -12.458 -5.719 1.00 0.00 O ATOM 679 CB ASP A 42 0.502 -13.730 -5.614 1.00 0.00 C ATOM 680 CG ASP A 42 1.862 -13.697 -4.946 1.00 0.00 C ATOM 681 OD1 ASP A 42 2.518 -12.635 -4.987 1.00 0.00 O ATOM 682 OD2 ASP A 42 2.270 -14.733 -4.380 1.00 0.00 O ATOM 0 H ASP A 42 -1.815 -12.962 -3.726 1.00 0.00 H new ATOM 0 HA ASP A 42 0.202 -11.633 -5.261 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -0.001 -14.663 -5.361 1.00 0.00 H new ATOM 0 HB3 ASP A 42 0.632 -13.721 -6.696 1.00 0.00 H new ATOM 687 N GLN A 43 -1.281 -12.308 -7.441 1.00 0.00 N ATOM 688 CA GLN A 43 -2.327 -12.185 -8.449 1.00 0.00 C ATOM 689 C GLN A 43 -3.480 -13.140 -8.157 1.00 0.00 C ATOM 690 O GLN A 43 -4.627 -12.877 -8.521 1.00 0.00 O ATOM 691 CB GLN A 43 -1.759 -12.464 -9.841 1.00 0.00 C ATOM 692 CG GLN A 43 -1.406 -13.924 -10.073 1.00 0.00 C ATOM 693 CD GLN A 43 -0.053 -14.296 -9.499 1.00 0.00 C ATOM 694 OE1 GLN A 43 0.944 -13.614 -9.738 1.00 0.00 O ATOM 695 NE2 GLN A 43 -0.011 -15.383 -8.737 1.00 0.00 N ATOM 0 H GLN A 43 -0.332 -12.288 -7.813 1.00 0.00 H new ATOM 0 HA GLN A 43 -2.708 -11.164 -8.418 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -2.486 -12.151 -10.590 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -0.867 -11.855 -9.989 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -2.173 -14.555 -9.624 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -1.411 -14.129 -11.143 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -0.862 -15.919 -8.565 1.00 0.00 H new ATOM 0 HE22 GLN A 43 0.872 -15.682 -8.324 1.00 0.00 H new ATOM 704 N THR A 44 -3.169 -14.251 -7.496 1.00 0.00 N ATOM 705 CA THR A 44 -4.178 -15.246 -7.156 1.00 0.00 C ATOM 706 C THR A 44 -5.453 -14.584 -6.648 1.00 0.00 C ATOM 707 O THR A 44 -6.557 -15.065 -6.905 1.00 0.00 O ATOM 708 CB THR A 44 -3.661 -16.227 -6.088 1.00 0.00 C ATOM 709 OG1 THR A 44 -2.934 -15.516 -5.080 1.00 0.00 O ATOM 710 CG2 THR A 44 -2.766 -17.287 -6.713 1.00 0.00 C ATOM 0 H THR A 44 -2.226 -14.484 -7.186 1.00 0.00 H new ATOM 0 HA THR A 44 -4.398 -15.798 -8.069 1.00 0.00 H new ATOM 0 HB THR A 44 -4.521 -16.721 -5.635 1.00 0.00 H new ATOM 0 HG1 THR A 44 -2.610 -16.147 -4.404 1.00 0.00 H new ATOM 0 HG21 THR A 44 -2.413 -17.968 -5.939 1.00 0.00 H new ATOM 0 HG22 THR A 44 -3.331 -17.847 -7.459 1.00 0.00 H new ATOM 0 HG23 THR A 44 -1.912 -16.807 -7.190 1.00 0.00 H new ATOM 718 N ARG A 45 -5.294 -13.479 -5.927 1.00 0.00 N ATOM 719 CA ARG A 45 -6.434 -12.752 -5.382 1.00 0.00 C ATOM 720 C ARG A 45 -7.400 -13.702 -4.680 1.00 0.00 C ATOM 721 O ARG A 45 -8.598 -13.432 -4.595 1.00 0.00 O ATOM 722 CB ARG A 45 -7.163 -11.996 -6.495 1.00 0.00 C ATOM 723 CG ARG A 45 -6.637 -10.588 -6.721 1.00 0.00 C ATOM 724 CD ARG A 45 -7.701 -9.686 -7.324 1.00 0.00 C ATOM 725 NE ARG A 45 -7.676 -9.710 -8.784 1.00 0.00 N ATOM 726 CZ ARG A 45 -8.342 -8.848 -9.545 1.00 0.00 C ATOM 727 NH1 ARG A 45 -9.081 -7.899 -8.987 1.00 0.00 N ATOM 728 NH2 ARG A 45 -8.268 -8.934 -10.867 1.00 0.00 N ATOM 0 H ARG A 45 -4.387 -13.068 -5.707 1.00 0.00 H new ATOM 0 HA ARG A 45 -6.060 -12.036 -4.650 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -7.076 -12.561 -7.423 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -8.224 -11.944 -6.252 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -6.297 -10.169 -5.774 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -5.771 -10.624 -7.382 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -8.684 -10.000 -6.973 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -7.550 -8.664 -6.976 1.00 0.00 H new ATOM 0 HE ARG A 45 -7.117 -10.428 -9.245 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -9.139 -7.829 -7.971 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -9.591 -7.239 -9.574 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -7.700 -9.662 -11.300 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -8.779 -8.272 -11.451 1.00 0.00 H new ATOM 742 N GLN A 46 -6.871 -14.814 -4.181 1.00 0.00 N ATOM 743 CA GLN A 46 -7.687 -15.804 -3.488 1.00 0.00 C ATOM 744 C GLN A 46 -7.264 -15.933 -2.029 1.00 0.00 C ATOM 745 O GLN A 46 -8.088 -16.200 -1.154 1.00 0.00 O ATOM 746 CB GLN A 46 -7.580 -17.162 -4.185 1.00 0.00 C ATOM 747 CG GLN A 46 -6.454 -18.032 -3.650 1.00 0.00 C ATOM 748 CD GLN A 46 -6.202 -19.254 -4.512 1.00 0.00 C ATOM 749 OE1 GLN A 46 -5.069 -19.522 -4.914 1.00 0.00 O ATOM 750 NE2 GLN A 46 -7.259 -20.004 -4.799 1.00 0.00 N ATOM 0 H GLN A 46 -5.881 -15.052 -4.244 1.00 0.00 H new ATOM 0 HA GLN A 46 -8.724 -15.469 -3.518 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -8.524 -17.694 -4.073 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -7.429 -17.002 -5.253 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -5.541 -17.441 -3.589 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -6.696 -18.351 -2.636 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -8.180 -19.745 -4.445 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -7.150 -20.840 -5.374 1.00 0.00 H new ATOM 759 N SER A 47 -5.974 -15.742 -1.772 1.00 0.00 N ATOM 760 CA SER A 47 -5.440 -15.842 -0.419 1.00 0.00 C ATOM 761 C SER A 47 -5.262 -14.457 0.198 1.00 0.00 C ATOM 762 O SER A 47 -4.147 -13.939 0.275 1.00 0.00 O ATOM 763 CB SER A 47 -4.103 -16.584 -0.428 1.00 0.00 C ATOM 764 OG SER A 47 -4.299 -17.987 -0.457 1.00 0.00 O ATOM 0 H SER A 47 -5.279 -15.517 -2.484 1.00 0.00 H new ATOM 0 HA SER A 47 -6.153 -16.402 0.186 1.00 0.00 H new ATOM 0 HB2 SER A 47 -3.519 -16.277 -1.296 1.00 0.00 H new ATOM 0 HB3 SER A 47 -3.527 -16.312 0.456 1.00 0.00 H new ATOM 0 HG SER A 47 -3.429 -18.439 -0.464 1.00 0.00 H new ATOM 770 N ILE A 48 -6.368 -13.865 0.635 1.00 0.00 N ATOM 771 CA ILE A 48 -6.334 -12.541 1.246 1.00 0.00 C ATOM 772 C ILE A 48 -5.259 -12.461 2.324 1.00 0.00 C ATOM 773 O ILE A 48 -5.244 -13.261 3.259 1.00 0.00 O ATOM 774 CB ILE A 48 -7.695 -12.172 1.864 1.00 0.00 C ATOM 775 CG1 ILE A 48 -8.770 -12.094 0.778 1.00 0.00 C ATOM 776 CG2 ILE A 48 -7.596 -10.852 2.614 1.00 0.00 C ATOM 777 CD1 ILE A 48 -10.181 -12.188 1.315 1.00 0.00 C ATOM 0 H ILE A 48 -7.298 -14.280 0.578 1.00 0.00 H new ATOM 0 HA ILE A 48 -6.101 -11.832 0.452 1.00 0.00 H new ATOM 0 HB ILE A 48 -7.978 -12.950 2.573 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -8.659 -11.156 0.235 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -8.609 -12.899 0.060 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -8.566 -10.605 3.045 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -6.857 -10.941 3.410 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -7.294 -10.064 1.925 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -10.890 -12.126 0.489 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -10.311 -13.138 1.833 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -10.361 -11.368 2.010 1.00 0.00 H new ATOM 789 N GLU A 49 -4.363 -11.488 2.188 1.00 0.00 N ATOM 790 CA GLU A 49 -3.285 -11.303 3.152 1.00 0.00 C ATOM 791 C GLU A 49 -3.790 -10.589 4.402 1.00 0.00 C ATOM 792 O GLU A 49 -3.723 -11.127 5.507 1.00 0.00 O ATOM 793 CB GLU A 49 -2.140 -10.507 2.523 1.00 0.00 C ATOM 794 CG GLU A 49 -1.098 -11.375 1.838 1.00 0.00 C ATOM 795 CD GLU A 49 -0.450 -12.366 2.786 1.00 0.00 C ATOM 796 OE1 GLU A 49 0.193 -11.920 3.760 1.00 0.00 O ATOM 797 OE2 GLU A 49 -0.585 -13.585 2.554 1.00 0.00 O ATOM 0 H GLU A 49 -4.363 -10.816 1.420 1.00 0.00 H new ATOM 0 HA GLU A 49 -2.917 -12.287 3.441 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -2.552 -9.807 1.796 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -1.654 -9.913 3.297 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -1.565 -11.917 1.016 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -0.328 -10.737 1.403 1.00 0.00 H new ATOM 804 N ASP A 50 -4.295 -9.373 4.218 1.00 0.00 N ATOM 805 CA ASP A 50 -4.812 -8.584 5.330 1.00 0.00 C ATOM 806 C ASP A 50 -5.838 -7.566 4.843 1.00 0.00 C ATOM 807 O ASP A 50 -6.118 -7.474 3.647 1.00 0.00 O ATOM 808 CB ASP A 50 -3.668 -7.869 6.051 1.00 0.00 C ATOM 809 CG ASP A 50 -3.978 -7.609 7.512 1.00 0.00 C ATOM 810 OD1 ASP A 50 -4.576 -6.555 7.813 1.00 0.00 O ATOM 811 OD2 ASP A 50 -3.621 -8.459 8.355 1.00 0.00 O ATOM 0 H ASP A 50 -4.357 -8.913 3.310 1.00 0.00 H new ATOM 0 HA ASP A 50 -5.303 -9.262 6.028 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -2.762 -8.471 5.976 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -3.463 -6.922 5.552 1.00 0.00 H new ATOM 816 N LYS A 51 -6.397 -6.804 5.776 1.00 0.00 N ATOM 817 CA LYS A 51 -7.392 -5.791 5.443 1.00 0.00 C ATOM 818 C LYS A 51 -7.251 -4.571 6.347 1.00 0.00 C ATOM 819 O LYS A 51 -7.118 -4.699 7.564 1.00 0.00 O ATOM 820 CB LYS A 51 -8.802 -6.372 5.570 1.00 0.00 C ATOM 821 CG LYS A 51 -9.887 -5.315 5.694 1.00 0.00 C ATOM 822 CD LYS A 51 -11.222 -5.929 6.081 1.00 0.00 C ATOM 823 CE LYS A 51 -11.994 -6.400 4.858 1.00 0.00 C ATOM 824 NZ LYS A 51 -13.165 -7.241 5.232 1.00 0.00 N ATOM 0 H LYS A 51 -6.178 -6.868 6.770 1.00 0.00 H new ATOM 0 HA LYS A 51 -7.225 -5.478 4.412 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -9.010 -6.993 4.699 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -8.840 -7.024 6.443 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -9.594 -4.578 6.442 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -9.990 -4.785 4.747 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -11.055 -6.770 6.754 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -11.816 -5.196 6.628 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -12.335 -5.535 4.288 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -11.331 -6.970 4.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -13.665 -7.542 4.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -12.838 -8.079 5.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -13.811 -6.690 5.833 1.00 0.00 H new ATOM 838 N VAL A 52 -7.281 -3.387 5.744 1.00 0.00 N ATOM 839 CA VAL A 52 -7.158 -2.143 6.495 1.00 0.00 C ATOM 840 C VAL A 52 -7.858 -0.995 5.776 1.00 0.00 C ATOM 841 O VAL A 52 -7.798 -0.888 4.550 1.00 0.00 O ATOM 842 CB VAL A 52 -5.682 -1.768 6.723 1.00 0.00 C ATOM 843 CG1 VAL A 52 -5.561 -0.317 7.164 1.00 0.00 C ATOM 844 CG2 VAL A 52 -5.047 -2.699 7.745 1.00 0.00 C ATOM 0 H VAL A 52 -7.389 -3.263 4.737 1.00 0.00 H new ATOM 0 HA VAL A 52 -7.636 -2.308 7.461 1.00 0.00 H new ATOM 0 HB VAL A 52 -5.147 -1.882 5.780 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -4.511 -0.071 7.320 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -5.976 0.333 6.394 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -6.110 -0.173 8.095 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -4.004 -2.419 7.894 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -5.582 -2.620 8.691 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -5.099 -3.726 7.383 1.00 0.00 H new ATOM 854 N HIS A 53 -8.522 -0.139 6.545 1.00 0.00 N ATOM 855 CA HIS A 53 -9.233 1.003 5.981 1.00 0.00 C ATOM 856 C HIS A 53 -8.302 2.202 5.830 1.00 0.00 C ATOM 857 O HIS A 53 -7.199 2.217 6.377 1.00 0.00 O ATOM 858 CB HIS A 53 -10.424 1.376 6.865 1.00 0.00 C ATOM 859 CG HIS A 53 -11.606 1.879 6.095 1.00 0.00 C ATOM 860 ND1 HIS A 53 -12.818 2.173 6.684 1.00 0.00 N ATOM 861 CD2 HIS A 53 -11.757 2.142 4.775 1.00 0.00 C ATOM 862 CE1 HIS A 53 -13.664 2.592 5.759 1.00 0.00 C ATOM 863 NE2 HIS A 53 -13.044 2.583 4.593 1.00 0.00 N ATOM 0 H HIS A 53 -8.583 -0.214 7.560 1.00 0.00 H new ATOM 0 HA HIS A 53 -9.597 0.721 4.993 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -10.723 0.503 7.445 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -10.112 2.140 7.577 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -11.005 2.026 4.009 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -14.688 2.891 5.928 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -13.455 2.859 3.701 1.00 0.00 H new ATOM 872 N MET A 54 -8.753 3.205 5.084 1.00 0.00 N ATOM 873 CA MET A 54 -7.960 4.409 4.861 1.00 0.00 C ATOM 874 C MET A 54 -8.461 5.559 5.728 1.00 0.00 C ATOM 875 O MET A 54 -7.802 5.987 6.676 1.00 0.00 O ATOM 876 CB MET A 54 -8.006 4.810 3.385 1.00 0.00 C ATOM 877 CG MET A 54 -6.834 4.280 2.575 1.00 0.00 C ATOM 878 SD MET A 54 -5.240 4.816 3.226 1.00 0.00 S ATOM 879 CE MET A 54 -5.413 6.595 3.123 1.00 0.00 C ATOM 0 H MET A 54 -9.663 3.208 4.624 1.00 0.00 H new ATOM 0 HA MET A 54 -6.929 4.191 5.139 1.00 0.00 H new ATOM 0 HB2 MET A 54 -8.935 4.445 2.947 1.00 0.00 H new ATOM 0 HB3 MET A 54 -8.025 5.897 3.313 1.00 0.00 H new ATOM 0 HG2 MET A 54 -6.869 3.191 2.563 1.00 0.00 H new ATOM 0 HG3 MET A 54 -6.931 4.614 1.542 1.00 0.00 H new ATOM 0 HE1 MET A 54 -4.437 7.063 3.250 1.00 0.00 H new ATOM 0 HE2 MET A 54 -5.821 6.865 2.149 1.00 0.00 H new ATOM 0 HE3 MET A 54 -6.086 6.941 3.907 1.00 0.00 H new ATOM 889 N PRO A 55 -9.656 6.072 5.399 1.00 0.00 N ATOM 890 CA PRO A 55 -10.272 7.180 6.136 1.00 0.00 C ATOM 891 C PRO A 55 -10.725 6.766 7.532 1.00 0.00 C ATOM 892 O PRO A 55 -11.325 7.556 8.261 1.00 0.00 O ATOM 893 CB PRO A 55 -11.478 7.554 5.271 1.00 0.00 C ATOM 894 CG PRO A 55 -11.807 6.310 4.521 1.00 0.00 C ATOM 895 CD PRO A 55 -10.497 5.611 4.281 1.00 0.00 C ATOM 0 HA PRO A 55 -9.574 8.002 6.296 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -12.318 7.881 5.884 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -11.240 8.374 4.593 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -12.487 5.678 5.092 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -12.303 6.542 3.579 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -10.613 4.527 4.285 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -10.068 5.882 3.316 1.00 0.00 H new ATOM 903 N VAL A 56 -10.435 5.521 7.898 1.00 0.00 N ATOM 904 CA VAL A 56 -10.812 5.003 9.208 1.00 0.00 C ATOM 905 C VAL A 56 -9.588 4.533 9.986 1.00 0.00 C ATOM 906 O VAL A 56 -9.369 4.943 11.126 1.00 0.00 O ATOM 907 CB VAL A 56 -11.807 3.834 9.084 1.00 0.00 C ATOM 908 CG1 VAL A 56 -11.697 2.908 10.285 1.00 0.00 C ATOM 909 CG2 VAL A 56 -13.227 4.358 8.933 1.00 0.00 C ATOM 0 H VAL A 56 -9.941 4.853 7.306 1.00 0.00 H new ATOM 0 HA VAL A 56 -11.289 5.822 9.747 1.00 0.00 H new ATOM 0 HB VAL A 56 -11.558 3.261 8.191 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -12.408 2.089 10.179 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -10.686 2.506 10.343 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -11.919 3.465 11.195 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -13.917 3.519 8.847 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -13.489 4.955 9.806 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -13.293 4.976 8.038 1.00 0.00 H new ATOM 919 N ASP A 57 -8.792 3.671 9.362 1.00 0.00 N ATOM 920 CA ASP A 57 -7.588 3.146 9.995 1.00 0.00 C ATOM 921 C ASP A 57 -6.403 4.080 9.768 1.00 0.00 C ATOM 922 O ASP A 57 -5.752 4.514 10.718 1.00 0.00 O ATOM 923 CB ASP A 57 -7.267 1.753 9.452 1.00 0.00 C ATOM 924 CG ASP A 57 -7.898 0.649 10.278 1.00 0.00 C ATOM 925 OD1 ASP A 57 -7.457 0.444 11.428 1.00 0.00 O ATOM 926 OD2 ASP A 57 -8.832 -0.009 9.774 1.00 0.00 O ATOM 0 H ASP A 57 -8.959 3.321 8.419 1.00 0.00 H new ATOM 0 HA ASP A 57 -7.772 3.076 11.067 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -7.618 1.678 8.423 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -6.186 1.615 9.431 1.00 0.00 H new ATOM 931 N CYS A 58 -6.130 4.383 8.504 1.00 0.00 N ATOM 932 CA CYS A 58 -5.022 5.263 8.151 1.00 0.00 C ATOM 933 C CYS A 58 -5.289 6.689 8.623 1.00 0.00 C ATOM 934 O CYS A 58 -6.185 7.364 8.113 1.00 0.00 O ATOM 935 CB CYS A 58 -4.791 5.248 6.640 1.00 0.00 C ATOM 936 SG CYS A 58 -3.619 6.496 6.058 1.00 0.00 S ATOM 0 H CYS A 58 -6.661 4.032 7.707 1.00 0.00 H new ATOM 0 HA CYS A 58 -4.126 4.895 8.651 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -4.429 4.262 6.349 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -5.746 5.399 6.136 1.00 0.00 H new ATOM 0 HG CYS A 58 -2.653 6.619 6.919 1.00 0.00 H new ATOM 942 N ILE A 59 -4.509 7.140 9.598 1.00 0.00 N ATOM 943 CA ILE A 59 -4.662 8.485 10.139 1.00 0.00 C ATOM 944 C ILE A 59 -3.787 9.483 9.388 1.00 0.00 C ATOM 945 O ILE A 59 -4.141 10.652 9.247 1.00 0.00 O ATOM 946 CB ILE A 59 -4.308 8.534 11.637 1.00 0.00 C ATOM 947 CG1 ILE A 59 -2.929 7.916 11.877 1.00 0.00 C ATOM 948 CG2 ILE A 59 -5.368 7.814 12.456 1.00 0.00 C ATOM 949 CD1 ILE A 59 -2.446 8.053 13.304 1.00 0.00 C ATOM 0 H ILE A 59 -3.764 6.594 10.030 1.00 0.00 H new ATOM 0 HA ILE A 59 -5.710 8.758 10.013 1.00 0.00 H new ATOM 0 HB ILE A 59 -4.279 9.576 11.955 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -2.963 6.859 11.613 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -2.207 8.388 11.211 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -5.103 7.857 13.512 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -6.334 8.295 12.304 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -5.427 6.773 12.139 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -1.463 7.593 13.401 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -2.380 9.109 13.566 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -3.147 7.556 13.975 1.00 0.00 H new ATOM 961 N ASN A 60 -2.642 9.010 8.905 1.00 0.00 N ATOM 962 CA ASN A 60 -1.715 9.861 8.166 1.00 0.00 C ATOM 963 C ASN A 60 -1.011 9.071 7.067 1.00 0.00 C ATOM 964 O ASN A 60 -0.914 7.846 7.134 1.00 0.00 O ATOM 965 CB ASN A 60 -0.680 10.468 9.116 1.00 0.00 C ATOM 966 CG ASN A 60 -0.071 11.744 8.567 1.00 0.00 C ATOM 967 OD1 ASN A 60 1.114 11.787 8.237 1.00 0.00 O ATOM 968 ND2 ASN A 60 -0.882 12.791 8.467 1.00 0.00 N ATOM 0 H ASN A 60 -2.334 8.043 9.012 1.00 0.00 H new ATOM 0 HA ASN A 60 -2.288 10.664 7.702 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -1.151 10.677 10.077 1.00 0.00 H new ATOM 0 HB3 ASN A 60 0.111 9.741 9.300 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -0.529 13.677 8.104 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -1.858 12.709 8.753 1.00 0.00 H new ATOM 975 N ILE A 61 -0.522 9.782 6.056 1.00 0.00 N ATOM 976 CA ILE A 61 0.174 9.148 4.944 1.00 0.00 C ATOM 977 C ILE A 61 1.533 9.798 4.704 1.00 0.00 C ATOM 978 O ILE A 61 1.617 10.975 4.353 1.00 0.00 O ATOM 979 CB ILE A 61 -0.653 9.222 3.647 1.00 0.00 C ATOM 980 CG1 ILE A 61 -2.040 8.614 3.866 1.00 0.00 C ATOM 981 CG2 ILE A 61 0.071 8.509 2.515 1.00 0.00 C ATOM 982 CD1 ILE A 61 -3.020 8.929 2.757 1.00 0.00 C ATOM 0 H ILE A 61 -0.595 10.797 5.985 1.00 0.00 H new ATOM 0 HA ILE A 61 0.316 8.102 5.216 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.775 10.269 3.371 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -1.943 7.532 3.958 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -2.443 8.979 4.811 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -0.526 8.570 1.605 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.038 8.982 2.346 1.00 0.00 H new ATOM 0 HG23 ILE A 61 0.221 7.463 2.781 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -3.982 8.466 2.979 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -3.146 10.009 2.679 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -2.639 8.539 1.813 1.00 0.00 H new ATOM 994 N ARG A 62 2.595 9.022 4.894 1.00 0.00 N ATOM 995 CA ARG A 62 3.951 9.521 4.698 1.00 0.00 C ATOM 996 C ARG A 62 4.604 8.858 3.488 1.00 0.00 C ATOM 997 O ARG A 62 4.432 7.662 3.253 1.00 0.00 O ATOM 998 CB ARG A 62 4.795 9.270 5.948 1.00 0.00 C ATOM 999 CG ARG A 62 4.046 9.516 7.248 1.00 0.00 C ATOM 1000 CD ARG A 62 4.987 9.505 8.443 1.00 0.00 C ATOM 1001 NE ARG A 62 5.631 10.800 8.644 1.00 0.00 N ATOM 1002 CZ ARG A 62 6.473 11.055 9.640 1.00 0.00 C ATOM 1003 NH1 ARG A 62 6.770 10.109 10.520 1.00 0.00 N ATOM 1004 NH2 ARG A 62 7.019 12.259 9.756 1.00 0.00 N ATOM 0 H ARG A 62 2.543 8.045 5.183 1.00 0.00 H new ATOM 0 HA ARG A 62 3.894 10.594 4.516 1.00 0.00 H new ATOM 0 HB2 ARG A 62 5.153 8.240 5.934 1.00 0.00 H new ATOM 0 HB3 ARG A 62 5.674 9.913 5.918 1.00 0.00 H new ATOM 0 HG2 ARG A 62 3.532 10.476 7.197 1.00 0.00 H new ATOM 0 HG3 ARG A 62 3.281 8.751 7.379 1.00 0.00 H new ATOM 0 HD2 ARG A 62 4.431 9.234 9.340 1.00 0.00 H new ATOM 0 HD3 ARG A 62 5.749 8.740 8.297 1.00 0.00 H new ATOM 0 HE ARG A 62 5.423 11.550 7.984 1.00 0.00 H new ATOM 0 HH11 ARG A 62 6.352 9.183 10.434 1.00 0.00 H new ATOM 0 HH12 ARG A 62 7.417 10.308 11.283 1.00 0.00 H new ATOM 0 HH21 ARG A 62 6.792 12.989 9.081 1.00 0.00 H new ATOM 0 HH22 ARG A 62 7.665 12.454 10.521 1.00 0.00 H new ATOM 1018 N THR A 63 5.356 9.644 2.723 1.00 0.00 N ATOM 1019 CA THR A 63 6.033 9.135 1.538 1.00 0.00 C ATOM 1020 C THR A 63 7.507 9.526 1.537 1.00 0.00 C ATOM 1021 O THR A 63 7.873 10.606 1.998 1.00 0.00 O ATOM 1022 CB THR A 63 5.375 9.657 0.247 1.00 0.00 C ATOM 1023 OG1 THR A 63 5.165 11.070 0.340 1.00 0.00 O ATOM 1024 CG2 THR A 63 4.048 8.957 -0.005 1.00 0.00 C ATOM 0 H THR A 63 5.511 10.636 2.904 1.00 0.00 H new ATOM 0 HA THR A 63 5.947 8.049 1.567 1.00 0.00 H new ATOM 0 HB THR A 63 6.044 9.444 -0.587 1.00 0.00 H new ATOM 0 HG1 THR A 63 4.748 11.394 -0.486 1.00 0.00 H new ATOM 0 HG21 THR A 63 3.602 9.342 -0.922 1.00 0.00 H new ATOM 0 HG22 THR A 63 4.216 7.885 -0.105 1.00 0.00 H new ATOM 0 HG23 THR A 63 3.374 9.142 0.832 1.00 0.00 H new ATOM 1032 N GLY A 64 8.349 8.639 1.015 1.00 0.00 N ATOM 1033 CA GLY A 64 9.774 8.911 0.964 1.00 0.00 C ATOM 1034 C GLY A 64 10.366 9.165 2.336 1.00 0.00 C ATOM 1035 O GLY A 64 10.161 8.382 3.263 1.00 0.00 O ATOM 0 H GLY A 64 8.070 7.738 0.627 1.00 0.00 H new ATOM 0 HA2 GLY A 64 10.285 8.067 0.502 1.00 0.00 H new ATOM 0 HA3 GLY A 64 9.953 9.778 0.329 1.00 0.00 H new ATOM 1039 N HIS A 65 11.103 10.264 2.466 1.00 0.00 N ATOM 1040 CA HIS A 65 11.728 10.619 3.735 1.00 0.00 C ATOM 1041 C HIS A 65 10.683 10.736 4.841 1.00 0.00 C ATOM 1042 O HIS A 65 10.894 10.267 5.958 1.00 0.00 O ATOM 1043 CB HIS A 65 12.494 11.936 3.600 1.00 0.00 C ATOM 1044 CG HIS A 65 13.476 11.943 2.469 1.00 0.00 C ATOM 1045 ND1 HIS A 65 13.154 12.357 1.194 1.00 0.00 N ATOM 1046 CD2 HIS A 65 14.781 11.586 2.429 1.00 0.00 C ATOM 1047 CE1 HIS A 65 14.217 12.252 0.418 1.00 0.00 C ATOM 1048 NE2 HIS A 65 15.219 11.787 1.143 1.00 0.00 N ATOM 0 H HIS A 65 11.282 10.923 1.709 1.00 0.00 H new ATOM 0 HA HIS A 65 12.427 9.826 4.002 1.00 0.00 H new ATOM 0 HB2 HIS A 65 11.782 12.748 3.457 1.00 0.00 H new ATOM 0 HB3 HIS A 65 13.023 12.136 4.532 1.00 0.00 H new ATOM 0 HD2 HIS A 65 15.368 11.213 3.255 1.00 0.00 H new ATOM 0 HE1 HIS A 65 14.260 12.504 -0.631 1.00 0.00 H new ATOM 0 HE2 HIS A 65 16.164 11.607 0.803 1.00 0.00 H new ATOM 1057 N GLU A 66 9.557 11.366 4.520 1.00 0.00 N ATOM 1058 CA GLU A 66 8.480 11.545 5.487 1.00 0.00 C ATOM 1059 C GLU A 66 8.270 10.276 6.308 1.00 0.00 C ATOM 1060 O GLU A 66 8.173 10.327 7.535 1.00 0.00 O ATOM 1061 CB GLU A 66 7.182 11.926 4.774 1.00 0.00 C ATOM 1062 CG GLU A 66 7.312 13.151 3.885 1.00 0.00 C ATOM 1063 CD GLU A 66 5.968 13.709 3.460 1.00 0.00 C ATOM 1064 OE1 GLU A 66 5.099 13.897 4.337 1.00 0.00 O ATOM 1065 OE2 GLU A 66 5.785 13.959 2.250 1.00 0.00 O ATOM 0 H GLU A 66 9.367 11.761 3.599 1.00 0.00 H new ATOM 0 HA GLU A 66 8.764 12.351 6.163 1.00 0.00 H new ATOM 0 HB2 GLU A 66 6.849 11.083 4.169 1.00 0.00 H new ATOM 0 HB3 GLU A 66 6.408 12.109 5.520 1.00 0.00 H new ATOM 0 HG2 GLU A 66 7.870 13.923 4.415 1.00 0.00 H new ATOM 0 HG3 GLU A 66 7.890 12.892 2.998 1.00 0.00 H new ATOM 1138 N GLN A 71 14.024 2.008 4.975 1.00 0.00 N ATOM 1139 CA GLN A 71 14.859 2.082 3.782 1.00 0.00 C ATOM 1140 C GLN A 71 14.234 1.300 2.631 1.00 0.00 C ATOM 1141 O GLN A 71 13.647 0.235 2.819 1.00 0.00 O ATOM 1142 CB GLN A 71 16.259 1.543 4.079 1.00 0.00 C ATOM 1143 CG GLN A 71 16.289 0.051 4.367 1.00 0.00 C ATOM 1144 CD GLN A 71 15.664 -0.298 5.703 1.00 0.00 C ATOM 1145 OE1 GLN A 71 16.268 -0.090 6.756 1.00 0.00 O ATOM 1146 NE2 GLN A 71 14.449 -0.832 5.668 1.00 0.00 N ATOM 0 HA GLN A 71 14.935 3.129 3.487 1.00 0.00 H new ATOM 0 HB2 GLN A 71 16.908 1.753 3.229 1.00 0.00 H new ATOM 0 HB3 GLN A 71 16.671 2.078 4.935 1.00 0.00 H new ATOM 0 HG2 GLN A 71 15.761 -0.479 3.574 1.00 0.00 H new ATOM 0 HG3 GLN A 71 17.322 -0.298 4.351 1.00 0.00 H new ATOM 0 HE21 GLN A 71 13.986 -0.987 4.773 1.00 0.00 H new ATOM 0 HE22 GLN A 71 13.979 -1.087 6.536 1.00 0.00 H new ATOM 1155 N PRO A 72 14.362 1.840 1.410 1.00 0.00 N ATOM 1156 CA PRO A 72 13.817 1.210 0.204 1.00 0.00 C ATOM 1157 C PRO A 72 14.566 -0.064 -0.173 1.00 0.00 C ATOM 1158 O PRO A 72 15.726 -0.261 0.189 1.00 0.00 O ATOM 1159 CB PRO A 72 14.006 2.280 -0.873 1.00 0.00 C ATOM 1160 CG PRO A 72 15.147 3.107 -0.389 1.00 0.00 C ATOM 1161 CD PRO A 72 15.050 3.108 1.112 1.00 0.00 C ATOM 0 HA PRO A 72 12.780 0.901 0.339 1.00 0.00 H new ATOM 0 HB2 PRO A 72 14.225 1.832 -1.842 1.00 0.00 H new ATOM 0 HB3 PRO A 72 13.105 2.881 -0.996 1.00 0.00 H new ATOM 0 HG2 PRO A 72 16.099 2.690 -0.718 1.00 0.00 H new ATOM 0 HG3 PRO A 72 15.089 4.121 -0.785 1.00 0.00 H new ATOM 0 HD2 PRO A 72 16.034 3.150 1.578 1.00 0.00 H new ATOM 0 HD3 PRO A 72 14.487 3.967 1.478 1.00 0.00 H new ATOM 1169 N PRO A 73 13.889 -0.950 -0.919 1.00 0.00 N ATOM 1170 CA PRO A 73 14.472 -2.220 -1.362 1.00 0.00 C ATOM 1171 C PRO A 73 15.562 -2.023 -2.410 1.00 0.00 C ATOM 1172 O PRO A 73 15.726 -0.929 -2.951 1.00 0.00 O ATOM 1173 CB PRO A 73 13.279 -2.967 -1.965 1.00 0.00 C ATOM 1174 CG PRO A 73 12.333 -1.894 -2.383 1.00 0.00 C ATOM 1175 CD PRO A 73 12.503 -0.781 -1.387 1.00 0.00 C ATOM 0 HA PRO A 73 14.957 -2.753 -0.544 1.00 0.00 H new ATOM 0 HB2 PRO A 73 13.583 -3.579 -2.814 1.00 0.00 H new ATOM 0 HB3 PRO A 73 12.822 -3.636 -1.236 1.00 0.00 H new ATOM 0 HG2 PRO A 73 12.554 -1.551 -3.394 1.00 0.00 H new ATOM 0 HG3 PRO A 73 11.306 -2.259 -2.388 1.00 0.00 H new ATOM 0 HD2 PRO A 73 12.350 0.196 -1.846 1.00 0.00 H new ATOM 0 HD3 PRO A 73 11.789 -0.863 -0.567 1.00 0.00 H new ATOM 1183 N ASP A 74 16.304 -3.088 -2.693 1.00 0.00 N ATOM 1184 CA ASP A 74 17.378 -3.032 -3.678 1.00 0.00 C ATOM 1185 C ASP A 74 16.814 -2.968 -5.094 1.00 0.00 C ATOM 1186 O ASP A 74 16.235 -3.935 -5.587 1.00 0.00 O ATOM 1187 CB ASP A 74 18.294 -4.249 -3.535 1.00 0.00 C ATOM 1188 CG ASP A 74 19.121 -4.205 -2.265 1.00 0.00 C ATOM 1189 OD1 ASP A 74 20.155 -3.505 -2.255 1.00 0.00 O ATOM 1190 OD2 ASP A 74 18.734 -4.871 -1.282 1.00 0.00 O ATOM 0 H ASP A 74 16.181 -4.001 -2.254 1.00 0.00 H new ATOM 0 HA ASP A 74 17.958 -2.127 -3.496 1.00 0.00 H new ATOM 0 HB2 ASP A 74 17.691 -5.157 -3.541 1.00 0.00 H new ATOM 0 HB3 ASP A 74 18.959 -4.303 -4.397 1.00 0.00 H new ATOM 1195 N GLY A 75 16.986 -1.820 -5.743 1.00 0.00 N ATOM 1196 CA GLY A 75 16.488 -1.651 -7.095 1.00 0.00 C ATOM 1197 C GLY A 75 15.385 -0.614 -7.181 1.00 0.00 C ATOM 1198 O GLY A 75 14.815 -0.389 -8.249 1.00 0.00 O ATOM 0 H GLY A 75 17.461 -1.005 -5.356 1.00 0.00 H new ATOM 0 HA2 GLY A 75 17.310 -1.358 -7.748 1.00 0.00 H new ATOM 0 HA3 GLY A 75 16.114 -2.606 -7.463 1.00 0.00 H new ATOM 1202 N LYS A 76 15.080 0.017 -6.052 1.00 0.00 N ATOM 1203 CA LYS A 76 14.037 1.035 -6.003 1.00 0.00 C ATOM 1204 C LYS A 76 14.466 2.212 -5.132 1.00 0.00 C ATOM 1205 O LYS A 76 15.016 2.042 -4.044 1.00 0.00 O ATOM 1206 CB LYS A 76 12.736 0.436 -5.463 1.00 0.00 C ATOM 1207 CG LYS A 76 12.273 -0.796 -6.222 1.00 0.00 C ATOM 1208 CD LYS A 76 11.542 -0.422 -7.500 1.00 0.00 C ATOM 1209 CE LYS A 76 10.928 -1.643 -8.168 1.00 0.00 C ATOM 1210 NZ LYS A 76 10.637 -1.400 -9.608 1.00 0.00 N ATOM 0 H LYS A 76 15.540 -0.159 -5.159 1.00 0.00 H new ATOM 0 HA LYS A 76 13.870 1.397 -7.017 1.00 0.00 H new ATOM 0 HB2 LYS A 76 12.874 0.176 -4.414 1.00 0.00 H new ATOM 0 HB3 LYS A 76 11.953 1.193 -5.503 1.00 0.00 H new ATOM 0 HG2 LYS A 76 13.133 -1.420 -6.463 1.00 0.00 H new ATOM 0 HG3 LYS A 76 11.616 -1.390 -5.587 1.00 0.00 H new ATOM 0 HD2 LYS A 76 10.760 0.303 -7.274 1.00 0.00 H new ATOM 0 HD3 LYS A 76 12.235 0.061 -8.189 1.00 0.00 H new ATOM 0 HE2 LYS A 76 11.608 -2.489 -8.073 1.00 0.00 H new ATOM 0 HE3 LYS A 76 10.007 -1.914 -7.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 9.947 -2.101 -9.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 10.245 -0.444 -9.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 11.515 -1.485 -10.159 1.00 0.00 H new ATOM 1224 N PRO A 77 14.209 3.435 -5.620 1.00 0.00 N ATOM 1225 CA PRO A 77 14.560 4.663 -4.901 1.00 0.00 C ATOM 1226 C PRO A 77 13.702 4.872 -3.658 1.00 0.00 C ATOM 1227 O PRO A 77 12.943 3.988 -3.260 1.00 0.00 O ATOM 1228 CB PRO A 77 14.288 5.765 -5.929 1.00 0.00 C ATOM 1229 CG PRO A 77 13.266 5.186 -6.844 1.00 0.00 C ATOM 1230 CD PRO A 77 13.557 3.712 -6.910 1.00 0.00 C ATOM 0 HA PRO A 77 15.587 4.643 -4.538 1.00 0.00 H new ATOM 0 HB2 PRO A 77 13.921 6.672 -5.449 1.00 0.00 H new ATOM 0 HB3 PRO A 77 15.195 6.035 -6.469 1.00 0.00 H new ATOM 0 HG2 PRO A 77 12.259 5.369 -6.470 1.00 0.00 H new ATOM 0 HG3 PRO A 77 13.326 5.640 -7.833 1.00 0.00 H new ATOM 0 HD2 PRO A 77 12.645 3.128 -7.033 1.00 0.00 H new ATOM 0 HD3 PRO A 77 14.208 3.468 -7.750 1.00 0.00 H new ATOM 1238 N ARG A 78 13.827 6.046 -3.048 1.00 0.00 N ATOM 1239 CA ARG A 78 13.063 6.370 -1.849 1.00 0.00 C ATOM 1240 C ARG A 78 11.799 7.147 -2.203 1.00 0.00 C ATOM 1241 O ARG A 78 10.852 7.203 -1.418 1.00 0.00 O ATOM 1242 CB ARG A 78 13.920 7.185 -0.878 1.00 0.00 C ATOM 1243 CG ARG A 78 13.109 8.081 0.044 1.00 0.00 C ATOM 1244 CD ARG A 78 13.887 8.435 1.302 1.00 0.00 C ATOM 1245 NE ARG A 78 14.214 7.253 2.094 1.00 0.00 N ATOM 1246 CZ ARG A 78 15.000 7.280 3.165 1.00 0.00 C ATOM 1247 NH1 ARG A 78 15.535 8.424 3.569 1.00 0.00 N ATOM 1248 NH2 ARG A 78 15.250 6.162 3.834 1.00 0.00 N ATOM 0 H ARG A 78 14.450 6.789 -3.364 1.00 0.00 H new ATOM 0 HA ARG A 78 12.772 5.435 -1.370 1.00 0.00 H new ATOM 0 HB2 ARG A 78 14.518 6.503 -0.274 1.00 0.00 H new ATOM 0 HB3 ARG A 78 14.616 7.800 -1.449 1.00 0.00 H new ATOM 0 HG2 ARG A 78 12.833 8.994 -0.484 1.00 0.00 H new ATOM 0 HG3 ARG A 78 12.181 7.579 0.318 1.00 0.00 H new ATOM 0 HD2 ARG A 78 14.806 8.952 1.026 1.00 0.00 H new ATOM 0 HD3 ARG A 78 13.301 9.127 1.908 1.00 0.00 H new ATOM 0 HE ARG A 78 13.817 6.357 1.810 1.00 0.00 H new ATOM 0 HH11 ARG A 78 15.343 9.285 3.057 1.00 0.00 H new ATOM 0 HH12 ARG A 78 16.138 8.443 4.391 1.00 0.00 H new ATOM 0 HH21 ARG A 78 14.839 5.281 3.526 1.00 0.00 H new ATOM 0 HH22 ARG A 78 15.854 6.184 4.656 1.00 0.00 H new ATOM 1262 N ASP A 79 11.790 7.744 -3.390 1.00 0.00 N ATOM 1263 CA ASP A 79 10.642 8.518 -3.849 1.00 0.00 C ATOM 1264 C ASP A 79 9.443 7.610 -4.105 1.00 0.00 C ATOM 1265 O ASP A 79 8.294 8.034 -3.981 1.00 0.00 O ATOM 1266 CB ASP A 79 10.995 9.289 -5.121 1.00 0.00 C ATOM 1267 CG ASP A 79 12.046 8.581 -5.954 1.00 0.00 C ATOM 1268 OD1 ASP A 79 11.706 7.570 -6.603 1.00 0.00 O ATOM 1269 OD2 ASP A 79 13.208 9.038 -5.957 1.00 0.00 O ATOM 0 H ASP A 79 12.565 7.707 -4.052 1.00 0.00 H new ATOM 0 HA ASP A 79 10.377 9.228 -3.066 1.00 0.00 H new ATOM 0 HB2 ASP A 79 10.095 9.429 -5.719 1.00 0.00 H new ATOM 0 HB3 ASP A 79 11.356 10.282 -4.852 1.00 0.00 H new ATOM 1274 N CYS A 80 9.720 6.361 -4.464 1.00 0.00 N ATOM 1275 CA CYS A 80 8.663 5.394 -4.740 1.00 0.00 C ATOM 1276 C CYS A 80 8.239 4.674 -3.465 1.00 0.00 C ATOM 1277 O CYS A 80 7.670 3.582 -3.515 1.00 0.00 O ATOM 1278 CB CYS A 80 9.134 4.377 -5.782 1.00 0.00 C ATOM 1279 SG CYS A 80 10.019 2.963 -5.085 1.00 0.00 S ATOM 0 H CYS A 80 10.666 5.995 -4.571 1.00 0.00 H new ATOM 0 HA CYS A 80 7.802 5.935 -5.133 1.00 0.00 H new ATOM 0 HB2 CYS A 80 8.269 4.013 -6.336 1.00 0.00 H new ATOM 0 HB3 CYS A 80 9.783 4.881 -6.499 1.00 0.00 H new ATOM 0 HG CYS A 80 9.462 1.860 -5.490 1.00 0.00 H new ATOM 1285 N LEU A 81 8.519 5.290 -2.322 1.00 0.00 N ATOM 1286 CA LEU A 81 8.167 4.708 -1.032 1.00 0.00 C ATOM 1287 C LEU A 81 6.819 5.231 -0.547 1.00 0.00 C ATOM 1288 O LEU A 81 6.529 6.424 -0.654 1.00 0.00 O ATOM 1289 CB LEU A 81 9.250 5.019 0.003 1.00 0.00 C ATOM 1290 CG LEU A 81 10.538 4.202 -0.106 1.00 0.00 C ATOM 1291 CD1 LEU A 81 11.512 4.591 0.995 1.00 0.00 C ATOM 1292 CD2 LEU A 81 10.230 2.712 -0.047 1.00 0.00 C ATOM 0 H LEU A 81 8.989 6.193 -2.262 1.00 0.00 H new ATOM 0 HA LEU A 81 8.092 3.628 -1.158 1.00 0.00 H new ATOM 0 HB2 LEU A 81 9.506 6.076 -0.075 1.00 0.00 H new ATOM 0 HB3 LEU A 81 8.829 4.866 0.997 1.00 0.00 H new ATOM 0 HG LEU A 81 11.004 4.419 -1.067 1.00 0.00 H new ATOM 0 HD11 LEU A 81 12.422 3.999 0.901 1.00 0.00 H new ATOM 0 HD12 LEU A 81 11.757 5.650 0.907 1.00 0.00 H new ATOM 0 HD13 LEU A 81 11.056 4.404 1.967 1.00 0.00 H new ATOM 0 HD21 LEU A 81 11.158 2.145 -0.126 1.00 0.00 H new ATOM 0 HD22 LEU A 81 9.742 2.479 0.899 1.00 0.00 H new ATOM 0 HD23 LEU A 81 9.570 2.444 -0.872 1.00 0.00 H new ATOM 1304 N LEU A 82 5.999 4.333 -0.013 1.00 0.00 N ATOM 1305 CA LEU A 82 4.682 4.704 0.491 1.00 0.00 C ATOM 1306 C LEU A 82 4.397 4.023 1.826 1.00 0.00 C ATOM 1307 O LEU A 82 4.415 2.796 1.923 1.00 0.00 O ATOM 1308 CB LEU A 82 3.601 4.331 -0.525 1.00 0.00 C ATOM 1309 CG LEU A 82 2.268 5.068 -0.389 1.00 0.00 C ATOM 1310 CD1 LEU A 82 2.293 6.366 -1.181 1.00 0.00 C ATOM 1311 CD2 LEU A 82 1.120 4.182 -0.849 1.00 0.00 C ATOM 0 H LEU A 82 6.223 3.342 0.082 1.00 0.00 H new ATOM 0 HA LEU A 82 4.671 5.783 0.645 1.00 0.00 H new ATOM 0 HB2 LEU A 82 3.993 4.513 -1.526 1.00 0.00 H new ATOM 0 HB3 LEU A 82 3.411 3.261 -0.447 1.00 0.00 H new ATOM 0 HG LEU A 82 2.114 5.311 0.662 1.00 0.00 H new ATOM 0 HD11 LEU A 82 1.336 6.877 -1.073 1.00 0.00 H new ATOM 0 HD12 LEU A 82 3.091 7.006 -0.805 1.00 0.00 H new ATOM 0 HD13 LEU A 82 2.470 6.146 -2.234 1.00 0.00 H new ATOM 0 HD21 LEU A 82 0.179 4.722 -0.745 1.00 0.00 H new ATOM 0 HD22 LEU A 82 1.268 3.908 -1.894 1.00 0.00 H new ATOM 0 HD23 LEU A 82 1.089 3.280 -0.238 1.00 0.00 H new ATOM 1323 N GLN A 83 4.133 4.827 2.851 1.00 0.00 N ATOM 1324 CA GLN A 83 3.844 4.300 4.179 1.00 0.00 C ATOM 1325 C GLN A 83 2.464 4.746 4.653 1.00 0.00 C ATOM 1326 O GLN A 83 2.031 5.863 4.369 1.00 0.00 O ATOM 1327 CB GLN A 83 4.910 4.758 5.176 1.00 0.00 C ATOM 1328 CG GLN A 83 5.161 3.762 6.298 1.00 0.00 C ATOM 1329 CD GLN A 83 6.241 4.224 7.256 1.00 0.00 C ATOM 1330 OE1 GLN A 83 5.953 4.823 8.292 1.00 0.00 O ATOM 1331 NE2 GLN A 83 7.494 3.946 6.914 1.00 0.00 N ATOM 0 H GLN A 83 4.113 5.845 2.787 1.00 0.00 H new ATOM 0 HA GLN A 83 3.855 3.212 4.120 1.00 0.00 H new ATOM 0 HB2 GLN A 83 5.844 4.934 4.642 1.00 0.00 H new ATOM 0 HB3 GLN A 83 4.606 5.711 5.609 1.00 0.00 H new ATOM 0 HG2 GLN A 83 4.235 3.601 6.850 1.00 0.00 H new ATOM 0 HG3 GLN A 83 5.447 2.802 5.869 1.00 0.00 H new ATOM 0 HE21 GLN A 83 7.687 3.447 6.045 1.00 0.00 H new ATOM 0 HE22 GLN A 83 8.263 4.231 7.520 1.00 0.00 H new ATOM 1340 N ILE A 84 1.778 3.866 5.374 1.00 0.00 N ATOM 1341 CA ILE A 84 0.448 4.169 5.886 1.00 0.00 C ATOM 1342 C ILE A 84 0.419 4.111 7.410 1.00 0.00 C ATOM 1343 O ILE A 84 0.361 3.032 8.000 1.00 0.00 O ATOM 1344 CB ILE A 84 -0.607 3.196 5.327 1.00 0.00 C ATOM 1345 CG1 ILE A 84 -0.433 3.037 3.815 1.00 0.00 C ATOM 1346 CG2 ILE A 84 -2.008 3.688 5.656 1.00 0.00 C ATOM 1347 CD1 ILE A 84 -1.009 4.185 3.016 1.00 0.00 C ATOM 0 H ILE A 84 2.122 2.937 5.617 1.00 0.00 H new ATOM 0 HA ILE A 84 0.207 5.180 5.558 1.00 0.00 H new ATOM 0 HB ILE A 84 -0.467 2.222 5.795 1.00 0.00 H new ATOM 0 HG12 ILE A 84 0.629 2.944 3.588 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -0.910 2.109 3.498 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -2.742 2.990 5.254 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -2.125 3.756 6.738 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -2.162 4.672 5.212 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -0.849 4.005 1.953 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -2.078 4.266 3.214 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -0.515 5.113 3.305 1.00 0.00 H new ATOM 1359 N VAL A 85 0.459 5.279 8.042 1.00 0.00 N ATOM 1360 CA VAL A 85 0.435 5.362 9.498 1.00 0.00 C ATOM 1361 C VAL A 85 -0.952 5.042 10.043 1.00 0.00 C ATOM 1362 O VAL A 85 -1.897 5.809 9.853 1.00 0.00 O ATOM 1363 CB VAL A 85 0.857 6.760 9.988 1.00 0.00 C ATOM 1364 CG1 VAL A 85 0.804 6.832 11.506 1.00 0.00 C ATOM 1365 CG2 VAL A 85 2.249 7.104 9.478 1.00 0.00 C ATOM 0 H VAL A 85 0.508 6.181 7.569 1.00 0.00 H new ATOM 0 HA VAL A 85 1.147 4.625 9.869 1.00 0.00 H new ATOM 0 HB VAL A 85 0.156 7.493 9.589 1.00 0.00 H new ATOM 0 HG11 VAL A 85 1.105 7.827 11.834 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -0.212 6.631 11.845 1.00 0.00 H new ATOM 0 HG13 VAL A 85 1.481 6.090 11.929 1.00 0.00 H new ATOM 0 HG21 VAL A 85 2.532 8.095 9.833 1.00 0.00 H new ATOM 0 HG22 VAL A 85 2.964 6.368 9.847 1.00 0.00 H new ATOM 0 HG23 VAL A 85 2.250 7.095 8.388 1.00 0.00 H new ATOM 1375 N CYS A 86 -1.067 3.906 10.722 1.00 0.00 N ATOM 1376 CA CYS A 86 -2.340 3.484 11.296 1.00 0.00 C ATOM 1377 C CYS A 86 -2.697 4.332 12.512 1.00 0.00 C ATOM 1378 O CYS A 86 -2.001 5.295 12.835 1.00 0.00 O ATOM 1379 CB CYS A 86 -2.281 2.007 11.689 1.00 0.00 C ATOM 1380 SG CYS A 86 -2.782 0.872 10.373 1.00 0.00 S ATOM 0 H CYS A 86 -0.295 3.261 10.889 1.00 0.00 H new ATOM 0 HA CYS A 86 -3.114 3.621 10.541 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -1.264 1.764 11.996 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -2.922 1.847 12.556 1.00 0.00 H new ATOM 0 HG CYS A 86 -3.304 -0.197 10.897 1.00 0.00 H new ATOM 1386 N ARG A 87 -3.786 3.970 13.181 1.00 0.00 N ATOM 1387 CA ARG A 87 -4.237 4.700 14.360 1.00 0.00 C ATOM 1388 C ARG A 87 -3.196 4.630 15.473 1.00 0.00 C ATOM 1389 O ARG A 87 -3.371 3.908 16.455 1.00 0.00 O ATOM 1390 CB ARG A 87 -5.570 4.136 14.856 1.00 0.00 C ATOM 1391 CG ARG A 87 -6.735 4.412 13.919 1.00 0.00 C ATOM 1392 CD ARG A 87 -8.067 4.097 14.580 1.00 0.00 C ATOM 1393 NE ARG A 87 -8.256 4.849 15.818 1.00 0.00 N ATOM 1394 CZ ARG A 87 -8.545 6.145 15.853 1.00 0.00 C ATOM 1395 NH1 ARG A 87 -8.678 6.829 14.725 1.00 0.00 N ATOM 1396 NH2 ARG A 87 -8.702 6.759 17.019 1.00 0.00 N ATOM 0 H ARG A 87 -4.373 3.175 12.927 1.00 0.00 H new ATOM 0 HA ARG A 87 -4.374 5.744 14.080 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -5.471 3.059 14.992 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -5.793 4.561 15.834 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -6.718 5.458 13.613 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -6.626 3.814 13.015 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -8.878 4.327 13.889 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -8.123 3.029 14.792 1.00 0.00 H new ATOM 0 HE ARG A 87 -8.161 4.352 16.704 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -8.558 6.360 13.827 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -8.900 7.824 14.755 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -8.601 6.236 17.889 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -8.924 7.754 17.046 1.00 0.00 H new ATOM 1410 N ASP A 88 -2.115 5.384 15.313 1.00 0.00 N ATOM 1411 CA ASP A 88 -1.046 5.408 16.305 1.00 0.00 C ATOM 1412 C ASP A 88 -0.891 4.045 16.971 1.00 0.00 C ATOM 1413 O ASP A 88 -0.927 3.933 18.195 1.00 0.00 O ATOM 1414 CB ASP A 88 -1.327 6.477 17.363 1.00 0.00 C ATOM 1415 CG ASP A 88 -2.800 6.580 17.705 1.00 0.00 C ATOM 1416 OD1 ASP A 88 -3.298 5.708 18.447 1.00 0.00 O ATOM 1417 OD2 ASP A 88 -3.455 7.531 17.230 1.00 0.00 O ATOM 0 H ASP A 88 -1.955 5.987 14.506 1.00 0.00 H new ATOM 0 HA ASP A 88 -0.115 5.650 15.793 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -0.762 6.247 18.267 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -0.972 7.443 17.003 1.00 0.00 H new ATOM 1422 N GLY A 89 -0.719 3.009 16.154 1.00 0.00 N ATOM 1423 CA GLY A 89 -0.563 1.666 16.682 1.00 0.00 C ATOM 1424 C GLY A 89 0.234 0.769 15.756 1.00 0.00 C ATOM 1425 O GLY A 89 1.024 -0.059 16.210 1.00 0.00 O ATOM 0 H GLY A 89 -0.685 3.076 15.137 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -0.067 1.715 17.651 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -1.547 1.228 16.849 1.00 0.00 H new ATOM 1429 N LYS A 90 0.026 0.931 14.454 1.00 0.00 N ATOM 1430 CA LYS A 90 0.731 0.128 13.461 1.00 0.00 C ATOM 1431 C LYS A 90 1.201 0.994 12.297 1.00 0.00 C ATOM 1432 O LYS A 90 0.874 2.179 12.218 1.00 0.00 O ATOM 1433 CB LYS A 90 -0.175 -0.991 12.944 1.00 0.00 C ATOM 1434 CG LYS A 90 0.581 -2.237 12.516 1.00 0.00 C ATOM 1435 CD LYS A 90 -0.343 -3.438 12.400 1.00 0.00 C ATOM 1436 CE LYS A 90 -0.951 -3.541 11.010 1.00 0.00 C ATOM 1437 NZ LYS A 90 -2.154 -2.676 10.865 1.00 0.00 N ATOM 0 H LYS A 90 -0.625 1.611 14.061 1.00 0.00 H new ATOM 0 HA LYS A 90 1.605 -0.313 13.940 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -0.888 -1.259 13.723 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -0.752 -0.618 12.098 1.00 0.00 H new ATOM 0 HG2 LYS A 90 1.067 -2.057 11.557 1.00 0.00 H new ATOM 0 HG3 LYS A 90 1.369 -2.451 13.238 1.00 0.00 H new ATOM 0 HD2 LYS A 90 0.213 -4.349 12.624 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -1.138 -3.360 13.141 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -0.207 -3.256 10.266 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -1.222 -4.577 10.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -2.777 -3.068 10.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -2.666 -2.639 11.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -1.861 -1.716 10.593 1.00 0.00 H new ATOM 1451 N THR A 91 1.971 0.396 11.393 1.00 0.00 N ATOM 1452 CA THR A 91 2.486 1.112 10.233 1.00 0.00 C ATOM 1453 C THR A 91 2.905 0.145 9.131 1.00 0.00 C ATOM 1454 O THR A 91 3.601 -0.838 9.387 1.00 0.00 O ATOM 1455 CB THR A 91 3.689 1.997 10.608 1.00 0.00 C ATOM 1456 OG1 THR A 91 3.362 2.815 11.738 1.00 0.00 O ATOM 1457 CG2 THR A 91 4.097 2.880 9.438 1.00 0.00 C ATOM 0 H THR A 91 2.252 -0.583 11.442 1.00 0.00 H new ATOM 0 HA THR A 91 1.678 1.746 9.868 1.00 0.00 H new ATOM 0 HB THR A 91 4.526 1.346 10.861 1.00 0.00 H new ATOM 0 HG1 THR A 91 2.393 2.955 11.771 1.00 0.00 H new ATOM 0 HG21 THR A 91 4.949 3.496 9.727 1.00 0.00 H new ATOM 0 HG22 THR A 91 4.373 2.255 8.589 1.00 0.00 H new ATOM 0 HG23 THR A 91 3.262 3.523 9.159 1.00 0.00 H new ATOM 1465 N ILE A 92 2.477 0.430 7.906 1.00 0.00 N ATOM 1466 CA ILE A 92 2.811 -0.414 6.765 1.00 0.00 C ATOM 1467 C ILE A 92 3.806 0.279 5.841 1.00 0.00 C ATOM 1468 O ILE A 92 3.621 1.437 5.468 1.00 0.00 O ATOM 1469 CB ILE A 92 1.555 -0.791 5.958 1.00 0.00 C ATOM 1470 CG1 ILE A 92 0.528 -1.478 6.861 1.00 0.00 C ATOM 1471 CG2 ILE A 92 1.927 -1.691 4.790 1.00 0.00 C ATOM 1472 CD1 ILE A 92 -0.892 -1.375 6.350 1.00 0.00 C ATOM 0 H ILE A 92 1.898 1.238 7.678 1.00 0.00 H new ATOM 0 HA ILE A 92 3.262 -1.322 7.165 1.00 0.00 H new ATOM 0 HB ILE A 92 1.109 0.121 5.561 1.00 0.00 H new ATOM 0 HG12 ILE A 92 0.793 -2.530 6.964 1.00 0.00 H new ATOM 0 HG13 ILE A 92 0.580 -1.038 7.857 1.00 0.00 H new ATOM 0 HG21 ILE A 92 1.029 -1.949 4.229 1.00 0.00 H new ATOM 0 HG22 ILE A 92 2.626 -1.169 4.136 1.00 0.00 H new ATOM 0 HG23 ILE A 92 2.394 -2.601 5.166 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -1.565 -1.884 7.040 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -1.176 -0.325 6.274 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -0.960 -1.841 5.367 1.00 0.00 H new ATOM 1484 N SER A 93 4.863 -0.439 5.474 1.00 0.00 N ATOM 1485 CA SER A 93 5.890 0.107 4.594 1.00 0.00 C ATOM 1486 C SER A 93 5.767 -0.474 3.189 1.00 0.00 C ATOM 1487 O SER A 93 6.227 -1.585 2.921 1.00 0.00 O ATOM 1488 CB SER A 93 7.282 -0.184 5.158 1.00 0.00 C ATOM 1489 OG SER A 93 7.353 0.144 6.535 1.00 0.00 O ATOM 0 H SER A 93 5.031 -1.400 5.772 1.00 0.00 H new ATOM 0 HA SER A 93 5.747 1.186 4.536 1.00 0.00 H new ATOM 0 HB2 SER A 93 7.521 -1.238 5.019 1.00 0.00 H new ATOM 0 HB3 SER A 93 8.028 0.387 4.606 1.00 0.00 H new ATOM 0 HG SER A 93 8.252 -0.053 6.872 1.00 0.00 H new ATOM 1495 N LEU A 94 5.142 0.284 2.295 1.00 0.00 N ATOM 1496 CA LEU A 94 4.957 -0.154 0.916 1.00 0.00 C ATOM 1497 C LEU A 94 5.968 0.516 -0.008 1.00 0.00 C ATOM 1498 O LEU A 94 6.472 1.600 0.287 1.00 0.00 O ATOM 1499 CB LEU A 94 3.535 0.159 0.447 1.00 0.00 C ATOM 1500 CG LEU A 94 2.411 -0.219 1.413 1.00 0.00 C ATOM 1501 CD1 LEU A 94 1.104 0.435 0.993 1.00 0.00 C ATOM 1502 CD2 LEU A 94 2.255 -1.731 1.483 1.00 0.00 C ATOM 0 H LEU A 94 4.755 1.205 2.500 1.00 0.00 H new ATOM 0 HA LEU A 94 5.116 -1.232 0.879 1.00 0.00 H new ATOM 0 HB2 LEU A 94 3.468 1.228 0.244 1.00 0.00 H new ATOM 0 HB3 LEU A 94 3.364 -0.357 -0.498 1.00 0.00 H new ATOM 0 HG LEU A 94 2.673 0.146 2.406 1.00 0.00 H new ATOM 0 HD11 LEU A 94 0.316 0.155 1.692 1.00 0.00 H new ATOM 0 HD12 LEU A 94 1.222 1.519 0.995 1.00 0.00 H new ATOM 0 HD13 LEU A 94 0.836 0.101 -0.009 1.00 0.00 H new ATOM 0 HD21 LEU A 94 1.451 -1.982 2.175 1.00 0.00 H new ATOM 0 HD22 LEU A 94 2.016 -2.118 0.493 1.00 0.00 H new ATOM 0 HD23 LEU A 94 3.186 -2.177 1.832 1.00 0.00 H new ATOM 1514 N CYS A 95 6.260 -0.135 -1.129 1.00 0.00 N ATOM 1515 CA CYS A 95 7.210 0.398 -2.098 1.00 0.00 C ATOM 1516 C CYS A 95 6.707 0.193 -3.523 1.00 0.00 C ATOM 1517 O CYS A 95 6.561 -0.938 -3.984 1.00 0.00 O ATOM 1518 CB CYS A 95 8.575 -0.270 -1.926 1.00 0.00 C ATOM 1519 SG CYS A 95 9.791 0.200 -3.179 1.00 0.00 S ATOM 0 H CYS A 95 5.852 -1.033 -1.389 1.00 0.00 H new ATOM 0 HA CYS A 95 7.312 1.468 -1.918 1.00 0.00 H new ATOM 0 HB2 CYS A 95 8.969 -0.019 -0.941 1.00 0.00 H new ATOM 0 HB3 CYS A 95 8.444 -1.352 -1.951 1.00 0.00 H new ATOM 0 HG CYS A 95 9.508 1.383 -3.636 1.00 0.00 H new ATOM 1525 N ALA A 96 6.440 1.296 -4.215 1.00 0.00 N ATOM 1526 CA ALA A 96 5.953 1.238 -5.588 1.00 0.00 C ATOM 1527 C ALA A 96 7.075 0.873 -6.554 1.00 0.00 C ATOM 1528 O ALA A 96 8.253 0.963 -6.212 1.00 0.00 O ATOM 1529 CB ALA A 96 5.326 2.567 -5.982 1.00 0.00 C ATOM 0 H ALA A 96 6.553 2.241 -3.847 1.00 0.00 H new ATOM 0 HA ALA A 96 5.193 0.459 -5.645 1.00 0.00 H new ATOM 0 HB1 ALA A 96 4.967 2.509 -7.009 1.00 0.00 H new ATOM 0 HB2 ALA A 96 4.491 2.786 -5.317 1.00 0.00 H new ATOM 0 HB3 ALA A 96 6.071 3.359 -5.902 1.00 0.00 H new ATOM 1535 N GLU A 97 6.699 0.459 -7.760 1.00 0.00 N ATOM 1536 CA GLU A 97 7.676 0.079 -8.774 1.00 0.00 C ATOM 1537 C GLU A 97 8.497 1.286 -9.219 1.00 0.00 C ATOM 1538 O GLU A 97 9.714 1.197 -9.379 1.00 0.00 O ATOM 1539 CB GLU A 97 6.973 -0.546 -9.982 1.00 0.00 C ATOM 1540 CG GLU A 97 7.760 -0.423 -11.275 1.00 0.00 C ATOM 1541 CD GLU A 97 7.008 -0.974 -12.471 1.00 0.00 C ATOM 1542 OE1 GLU A 97 6.624 -2.162 -12.433 1.00 0.00 O ATOM 1543 OE2 GLU A 97 6.803 -0.218 -13.443 1.00 0.00 O ATOM 0 H GLU A 97 5.727 0.378 -8.058 1.00 0.00 H new ATOM 0 HA GLU A 97 8.351 -0.655 -8.334 1.00 0.00 H new ATOM 0 HB2 GLU A 97 6.788 -1.601 -9.778 1.00 0.00 H new ATOM 0 HB3 GLU A 97 6.001 -0.071 -10.112 1.00 0.00 H new ATOM 0 HG2 GLU A 97 7.998 0.626 -11.452 1.00 0.00 H new ATOM 0 HG3 GLU A 97 8.707 -0.952 -11.171 1.00 0.00 H new ATOM 1550 N SER A 98 7.822 2.413 -9.417 1.00 0.00 N ATOM 1551 CA SER A 98 8.487 3.638 -9.847 1.00 0.00 C ATOM 1552 C SER A 98 7.795 4.866 -9.263 1.00 0.00 C ATOM 1553 O SER A 98 6.684 4.778 -8.740 1.00 0.00 O ATOM 1554 CB SER A 98 8.504 3.725 -11.374 1.00 0.00 C ATOM 1555 OG SER A 98 9.629 4.455 -11.831 1.00 0.00 O ATOM 0 H SER A 98 6.814 2.504 -9.287 1.00 0.00 H new ATOM 0 HA SER A 98 9.513 3.613 -9.481 1.00 0.00 H new ATOM 0 HB2 SER A 98 8.521 2.721 -11.798 1.00 0.00 H new ATOM 0 HB3 SER A 98 7.589 4.203 -11.724 1.00 0.00 H new ATOM 0 HG SER A 98 9.618 4.495 -12.810 1.00 0.00 H new ATOM 1561 N THR A 99 8.461 6.013 -9.357 1.00 0.00 N ATOM 1562 CA THR A 99 7.913 7.259 -8.838 1.00 0.00 C ATOM 1563 C THR A 99 6.506 7.505 -9.371 1.00 0.00 C ATOM 1564 O THR A 99 5.654 8.052 -8.671 1.00 0.00 O ATOM 1565 CB THR A 99 8.805 8.461 -9.204 1.00 0.00 C ATOM 1566 OG1 THR A 99 10.171 8.172 -8.885 1.00 0.00 O ATOM 1567 CG2 THR A 99 8.359 9.711 -8.461 1.00 0.00 C ATOM 0 H THR A 99 9.381 6.104 -9.788 1.00 0.00 H new ATOM 0 HA THR A 99 7.876 7.160 -7.753 1.00 0.00 H new ATOM 0 HB THR A 99 8.713 8.642 -10.275 1.00 0.00 H new ATOM 0 HG1 THR A 99 10.259 8.035 -7.919 1.00 0.00 H new ATOM 0 HG21 THR A 99 9.003 10.546 -8.735 1.00 0.00 H new ATOM 0 HG22 THR A 99 7.328 9.945 -8.728 1.00 0.00 H new ATOM 0 HG23 THR A 99 8.425 9.539 -7.387 1.00 0.00 H new ATOM 1575 N ASP A 100 6.269 7.096 -10.612 1.00 0.00 N ATOM 1576 CA ASP A 100 4.964 7.270 -11.239 1.00 0.00 C ATOM 1577 C ASP A 100 3.886 6.511 -10.470 1.00 0.00 C ATOM 1578 O ASP A 100 2.810 7.044 -10.201 1.00 0.00 O ATOM 1579 CB ASP A 100 5.003 6.793 -12.691 1.00 0.00 C ATOM 1580 CG ASP A 100 5.877 7.671 -13.566 1.00 0.00 C ATOM 1581 OD1 ASP A 100 7.015 7.977 -13.150 1.00 0.00 O ATOM 1582 OD2 ASP A 100 5.424 8.051 -14.665 1.00 0.00 O ATOM 0 H ASP A 100 6.964 6.641 -11.204 1.00 0.00 H new ATOM 0 HA ASP A 100 4.719 8.332 -11.221 1.00 0.00 H new ATOM 0 HB2 ASP A 100 5.374 5.769 -12.724 1.00 0.00 H new ATOM 0 HB3 ASP A 100 3.990 6.778 -13.093 1.00 0.00 H new ATOM 1587 N ASP A 101 4.184 5.264 -10.122 1.00 0.00 N ATOM 1588 CA ASP A 101 3.241 4.431 -9.384 1.00 0.00 C ATOM 1589 C ASP A 101 2.956 5.022 -8.007 1.00 0.00 C ATOM 1590 O ASP A 101 1.799 5.213 -7.629 1.00 0.00 O ATOM 1591 CB ASP A 101 3.787 3.010 -9.240 1.00 0.00 C ATOM 1592 CG ASP A 101 2.686 1.976 -9.115 1.00 0.00 C ATOM 1593 OD1 ASP A 101 1.701 2.243 -8.395 1.00 0.00 O ATOM 1594 OD2 ASP A 101 2.808 0.900 -9.737 1.00 0.00 O ATOM 0 H ASP A 101 5.070 4.808 -10.339 1.00 0.00 H new ATOM 0 HA ASP A 101 2.307 4.398 -9.945 1.00 0.00 H new ATOM 0 HB2 ASP A 101 4.407 2.773 -10.104 1.00 0.00 H new ATOM 0 HB3 ASP A 101 4.431 2.959 -8.362 1.00 0.00 H new ATOM 1599 N CYS A 102 4.017 5.308 -7.260 1.00 0.00 N ATOM 1600 CA CYS A 102 3.881 5.875 -5.923 1.00 0.00 C ATOM 1601 C CYS A 102 2.945 7.079 -5.936 1.00 0.00 C ATOM 1602 O CYS A 102 1.982 7.138 -5.171 1.00 0.00 O ATOM 1603 CB CYS A 102 5.251 6.284 -5.379 1.00 0.00 C ATOM 1604 SG CYS A 102 5.207 6.957 -3.701 1.00 0.00 S ATOM 0 H CYS A 102 4.981 5.157 -7.558 1.00 0.00 H new ATOM 0 HA CYS A 102 3.453 5.112 -5.273 1.00 0.00 H new ATOM 0 HB2 CYS A 102 5.910 5.416 -5.394 1.00 0.00 H new ATOM 0 HB3 CYS A 102 5.688 7.027 -6.046 1.00 0.00 H new ATOM 0 HG CYS A 102 6.343 7.529 -3.433 1.00 0.00 H new ATOM 1610 N LEU A 103 3.236 8.038 -6.808 1.00 0.00 N ATOM 1611 CA LEU A 103 2.421 9.243 -6.920 1.00 0.00 C ATOM 1612 C LEU A 103 0.951 8.889 -7.125 1.00 0.00 C ATOM 1613 O LEU A 103 0.069 9.465 -6.489 1.00 0.00 O ATOM 1614 CB LEU A 103 2.915 10.111 -8.078 1.00 0.00 C ATOM 1615 CG LEU A 103 4.036 11.097 -7.747 1.00 0.00 C ATOM 1616 CD1 LEU A 103 4.618 11.691 -9.021 1.00 0.00 C ATOM 1617 CD2 LEU A 103 3.524 12.198 -6.829 1.00 0.00 C ATOM 0 H LEU A 103 4.030 8.005 -7.448 1.00 0.00 H new ATOM 0 HA LEU A 103 2.514 9.803 -5.989 1.00 0.00 H new ATOM 0 HB2 LEU A 103 3.260 9.454 -8.877 1.00 0.00 H new ATOM 0 HB3 LEU A 103 2.068 10.673 -8.471 1.00 0.00 H new ATOM 0 HG LEU A 103 4.827 10.557 -7.228 1.00 0.00 H new ATOM 0 HD11 LEU A 103 5.414 12.390 -8.766 1.00 0.00 H new ATOM 0 HD12 LEU A 103 5.022 10.892 -9.643 1.00 0.00 H new ATOM 0 HD13 LEU A 103 3.835 12.216 -9.568 1.00 0.00 H new ATOM 0 HD21 LEU A 103 4.335 12.891 -6.604 1.00 0.00 H new ATOM 0 HD22 LEU A 103 2.714 12.736 -7.322 1.00 0.00 H new ATOM 0 HD23 LEU A 103 3.156 11.757 -5.903 1.00 0.00 H new ATOM 1629 N ALA A 104 0.696 7.937 -8.017 1.00 0.00 N ATOM 1630 CA ALA A 104 -0.666 7.504 -8.303 1.00 0.00 C ATOM 1631 C ALA A 104 -1.363 7.015 -7.038 1.00 0.00 C ATOM 1632 O ALA A 104 -2.457 7.471 -6.706 1.00 0.00 O ATOM 1633 CB ALA A 104 -0.660 6.410 -9.361 1.00 0.00 C ATOM 0 H ALA A 104 1.415 7.451 -8.554 1.00 0.00 H new ATOM 0 HA ALA A 104 -1.221 8.361 -8.685 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -1.684 6.096 -9.565 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -0.208 6.792 -10.277 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -0.084 5.558 -9.000 1.00 0.00 H new ATOM 1639 N TRP A 105 -0.724 6.085 -6.337 1.00 0.00 N ATOM 1640 CA TRP A 105 -1.285 5.534 -5.109 1.00 0.00 C ATOM 1641 C TRP A 105 -1.500 6.629 -4.070 1.00 0.00 C ATOM 1642 O TRP A 105 -2.563 6.715 -3.455 1.00 0.00 O ATOM 1643 CB TRP A 105 -0.364 4.451 -4.544 1.00 0.00 C ATOM 1644 CG TRP A 105 -0.630 3.090 -5.111 1.00 0.00 C ATOM 1645 CD1 TRP A 105 0.227 2.328 -5.853 1.00 0.00 C ATOM 1646 CD2 TRP A 105 -1.837 2.330 -4.984 1.00 0.00 C ATOM 1647 NE1 TRP A 105 -0.374 1.141 -6.194 1.00 0.00 N ATOM 1648 CE2 TRP A 105 -1.640 1.117 -5.673 1.00 0.00 C ATOM 1649 CE3 TRP A 105 -3.064 2.555 -4.354 1.00 0.00 C ATOM 1650 CZ2 TRP A 105 -2.625 0.136 -5.748 1.00 0.00 C ATOM 1651 CZ3 TRP A 105 -4.040 1.580 -4.430 1.00 0.00 C ATOM 1652 CH2 TRP A 105 -3.816 0.383 -5.122 1.00 0.00 C ATOM 0 H TRP A 105 0.182 5.697 -6.598 1.00 0.00 H new ATOM 0 HA TRP A 105 -2.252 5.090 -5.347 1.00 0.00 H new ATOM 0 HB2 TRP A 105 0.672 4.724 -4.745 1.00 0.00 H new ATOM 0 HB3 TRP A 105 -0.480 4.414 -3.461 1.00 0.00 H new ATOM 0 HD1 TRP A 105 1.230 2.617 -6.131 1.00 0.00 H new ATOM 0 HE1 TRP A 105 0.054 0.398 -6.746 1.00 0.00 H new ATOM 0 HE3 TRP A 105 -3.246 3.474 -3.817 1.00 0.00 H new ATOM 0 HZ2 TRP A 105 -2.455 -0.787 -6.282 1.00 0.00 H new ATOM 0 HZ3 TRP A 105 -4.992 1.744 -3.947 1.00 0.00 H new ATOM 0 HH2 TRP A 105 -4.599 -0.360 -5.162 1.00 0.00 H new ATOM 1663 N LYS A 106 -0.484 7.464 -3.878 1.00 0.00 N ATOM 1664 CA LYS A 106 -0.562 8.555 -2.914 1.00 0.00 C ATOM 1665 C LYS A 106 -1.742 9.470 -3.222 1.00 0.00 C ATOM 1666 O LYS A 106 -2.517 9.822 -2.332 1.00 0.00 O ATOM 1667 CB LYS A 106 0.738 9.362 -2.919 1.00 0.00 C ATOM 1668 CG LYS A 106 0.597 10.748 -2.315 1.00 0.00 C ATOM 1669 CD LYS A 106 1.949 11.411 -2.118 1.00 0.00 C ATOM 1670 CE LYS A 106 1.803 12.832 -1.595 1.00 0.00 C ATOM 1671 NZ LYS A 106 1.316 13.764 -2.649 1.00 0.00 N ATOM 0 H LYS A 106 0.403 7.406 -4.378 1.00 0.00 H new ATOM 0 HA LYS A 106 -0.709 8.122 -1.925 1.00 0.00 H new ATOM 0 HB2 LYS A 106 1.500 8.811 -2.368 1.00 0.00 H new ATOM 0 HB3 LYS A 106 1.093 9.457 -3.945 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -0.022 11.367 -2.964 1.00 0.00 H new ATOM 0 HG3 LYS A 106 0.082 10.678 -1.357 1.00 0.00 H new ATOM 0 HD2 LYS A 106 2.544 10.824 -1.419 1.00 0.00 H new ATOM 0 HD3 LYS A 106 2.490 11.424 -3.064 1.00 0.00 H new ATOM 0 HE2 LYS A 106 1.109 12.840 -0.754 1.00 0.00 H new ATOM 0 HE3 LYS A 106 2.764 13.181 -1.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 1.327 14.738 -2.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 1.935 13.700 -3.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 0.345 13.506 -2.919 1.00 0.00 H new ATOM 1685 N PHE A 107 -1.874 9.852 -4.488 1.00 0.00 N ATOM 1686 CA PHE A 107 -2.961 10.726 -4.914 1.00 0.00 C ATOM 1687 C PHE A 107 -4.317 10.095 -4.612 1.00 0.00 C ATOM 1688 O PHE A 107 -5.240 10.769 -4.154 1.00 0.00 O ATOM 1689 CB PHE A 107 -2.847 11.025 -6.410 1.00 0.00 C ATOM 1690 CG PHE A 107 -1.725 11.965 -6.750 1.00 0.00 C ATOM 1691 CD1 PHE A 107 -1.575 13.161 -6.067 1.00 0.00 C ATOM 1692 CD2 PHE A 107 -0.821 11.652 -7.752 1.00 0.00 C ATOM 1693 CE1 PHE A 107 -0.545 14.028 -6.378 1.00 0.00 C ATOM 1694 CE2 PHE A 107 0.212 12.515 -8.067 1.00 0.00 C ATOM 1695 CZ PHE A 107 0.351 13.704 -7.379 1.00 0.00 C ATOM 0 H PHE A 107 -1.242 9.570 -5.237 1.00 0.00 H new ATOM 0 HA PHE A 107 -2.882 11.660 -4.357 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -2.702 10.089 -6.949 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -3.787 11.452 -6.760 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -2.271 13.419 -5.282 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -0.924 10.723 -8.293 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -0.440 14.958 -5.839 1.00 0.00 H new ATOM 0 HE2 PHE A 107 0.910 12.259 -8.851 1.00 0.00 H new ATOM 0 HZ PHE A 107 1.158 14.379 -7.623 1.00 0.00 H new ATOM 1705 N THR A 108 -4.430 8.797 -4.873 1.00 0.00 N ATOM 1706 CA THR A 108 -5.672 8.074 -4.631 1.00 0.00 C ATOM 1707 C THR A 108 -6.004 8.033 -3.144 1.00 0.00 C ATOM 1708 O THR A 108 -7.111 8.384 -2.734 1.00 0.00 O ATOM 1709 CB THR A 108 -5.597 6.632 -5.169 1.00 0.00 C ATOM 1710 OG1 THR A 108 -5.334 6.648 -6.576 1.00 0.00 O ATOM 1711 CG2 THR A 108 -6.895 5.886 -4.898 1.00 0.00 C ATOM 0 H THR A 108 -3.676 8.224 -5.252 1.00 0.00 H new ATOM 0 HA THR A 108 -6.458 8.611 -5.161 1.00 0.00 H new ATOM 0 HB THR A 108 -4.786 6.116 -4.654 1.00 0.00 H new ATOM 0 HG1 THR A 108 -4.403 6.911 -6.732 1.00 0.00 H new ATOM 0 HG21 THR A 108 -6.819 4.870 -5.286 1.00 0.00 H new ATOM 0 HG22 THR A 108 -7.077 5.851 -3.824 1.00 0.00 H new ATOM 0 HG23 THR A 108 -7.720 6.401 -5.389 1.00 0.00 H new ATOM 1719 N LEU A 109 -5.039 7.602 -2.339 1.00 0.00 N ATOM 1720 CA LEU A 109 -5.228 7.516 -0.895 1.00 0.00 C ATOM 1721 C LEU A 109 -5.602 8.875 -0.313 1.00 0.00 C ATOM 1722 O LEU A 109 -6.511 8.979 0.511 1.00 0.00 O ATOM 1723 CB LEU A 109 -3.957 6.993 -0.224 1.00 0.00 C ATOM 1724 CG LEU A 109 -3.504 5.593 -0.642 1.00 0.00 C ATOM 1725 CD1 LEU A 109 -2.026 5.399 -0.344 1.00 0.00 C ATOM 1726 CD2 LEU A 109 -4.336 4.531 0.062 1.00 0.00 C ATOM 0 H LEU A 109 -4.118 7.307 -2.662 1.00 0.00 H new ATOM 0 HA LEU A 109 -6.045 6.821 -0.701 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -3.147 7.692 -0.431 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -4.112 6.996 0.855 1.00 0.00 H new ATOM 0 HG LEU A 109 -3.653 5.490 -1.717 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -1.722 4.397 -0.648 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -1.444 6.138 -0.895 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -1.851 5.522 0.725 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -4.000 3.541 -0.247 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -4.219 4.633 1.141 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -5.386 4.657 -0.203 1.00 0.00 H new ATOM 1738 N GLN A 110 -4.897 9.914 -0.748 1.00 0.00 N ATOM 1739 CA GLN A 110 -5.156 11.267 -0.270 1.00 0.00 C ATOM 1740 C GLN A 110 -6.505 11.772 -0.772 1.00 0.00 C ATOM 1741 O GLN A 110 -7.073 12.712 -0.216 1.00 0.00 O ATOM 1742 CB GLN A 110 -4.043 12.213 -0.724 1.00 0.00 C ATOM 1743 CG GLN A 110 -2.802 12.156 0.152 1.00 0.00 C ATOM 1744 CD GLN A 110 -2.855 13.140 1.304 1.00 0.00 C ATOM 1745 OE1 GLN A 110 -3.206 12.650 2.487 1.00 0.00 O flip ATOM 1746 NE2 GLN A 110 -2.584 14.329 1.132 1.00 0.00 N flip ATOM 0 H GLN A 110 -4.142 9.845 -1.430 1.00 0.00 H new ATOM 0 HA GLN A 110 -5.180 11.242 0.819 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -3.765 11.969 -1.749 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -4.426 13.234 -0.732 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -2.687 11.146 0.547 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -1.922 12.363 -0.457 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -2.319 14.663 0.205 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -2.625 14.980 1.916 1.00 0.00 H new ATOM 1755 N ASP A 111 -7.012 11.142 -1.826 1.00 0.00 N ATOM 1756 CA ASP A 111 -8.295 11.527 -2.403 1.00 0.00 C ATOM 1757 C ASP A 111 -9.422 10.664 -1.846 1.00 0.00 C ATOM 1758 O ASP A 111 -10.581 11.079 -1.823 1.00 0.00 O ATOM 1759 CB ASP A 111 -8.249 11.407 -3.928 1.00 0.00 C ATOM 1760 CG ASP A 111 -9.236 12.333 -4.611 1.00 0.00 C ATOM 1761 OD1 ASP A 111 -9.540 13.402 -4.041 1.00 0.00 O ATOM 1762 OD2 ASP A 111 -9.704 11.989 -5.716 1.00 0.00 O ATOM 0 H ASP A 111 -6.554 10.362 -2.298 1.00 0.00 H new ATOM 0 HA ASP A 111 -8.490 12.565 -2.134 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -7.242 11.633 -4.277 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -8.462 10.377 -4.215 1.00 0.00 H new ATOM 1767 N SER A 112 -9.075 9.462 -1.399 1.00 0.00 N ATOM 1768 CA SER A 112 -10.058 8.538 -0.847 1.00 0.00 C ATOM 1769 C SER A 112 -10.313 8.834 0.628 1.00 0.00 C ATOM 1770 O SER A 112 -11.391 8.554 1.152 1.00 0.00 O ATOM 1771 CB SER A 112 -9.583 7.093 -1.014 1.00 0.00 C ATOM 1772 OG SER A 112 -8.277 6.922 -0.492 1.00 0.00 O ATOM 0 H SER A 112 -8.120 9.105 -1.408 1.00 0.00 H new ATOM 0 HA SER A 112 -10.992 8.671 -1.394 1.00 0.00 H new ATOM 0 HB2 SER A 112 -10.272 6.419 -0.505 1.00 0.00 H new ATOM 0 HB3 SER A 112 -9.594 6.823 -2.070 1.00 0.00 H new ATOM 0 HG SER A 112 -7.975 7.760 -0.084 1.00 0.00 H new ATOM 1778 N ARG A 113 -9.311 9.401 1.293 1.00 0.00 N ATOM 1779 CA ARG A 113 -9.425 9.734 2.708 1.00 0.00 C ATOM 1780 C ARG A 113 -10.308 10.963 2.908 1.00 0.00 C ATOM 1781 O ARG A 113 -11.038 11.063 3.895 1.00 0.00 O ATOM 1782 CB ARG A 113 -8.040 9.985 3.307 1.00 0.00 C ATOM 1783 CG ARG A 113 -7.355 11.226 2.760 1.00 0.00 C ATOM 1784 CD ARG A 113 -5.974 11.414 3.369 1.00 0.00 C ATOM 1785 NE ARG A 113 -6.026 12.161 4.623 1.00 0.00 N ATOM 1786 CZ ARG A 113 -6.244 11.596 5.806 1.00 0.00 C ATOM 1787 NH1 ARG A 113 -6.428 10.286 5.895 1.00 0.00 N ATOM 1788 NH2 ARG A 113 -6.277 12.342 6.902 1.00 0.00 N ATOM 0 H ARG A 113 -8.412 9.639 0.875 1.00 0.00 H new ATOM 0 HA ARG A 113 -9.887 8.889 3.219 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -8.133 10.079 4.389 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -7.408 9.118 3.116 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -7.268 11.147 1.676 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -7.968 12.103 2.968 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -5.520 10.439 3.546 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -5.334 11.939 2.660 1.00 0.00 H new ATOM 0 HE ARG A 113 -5.888 13.171 4.589 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -6.402 9.709 5.054 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -6.595 9.855 6.804 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -6.135 13.350 6.837 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -6.444 11.908 7.810 1.00 0.00 H new