USER MOD reduce.3.24.130724 H: found=0, std=0, add=591, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 590 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 12 GLN :FLIP amide:sc= -0.798 F(o=-10!,f=-4.4) USER MOD Set 1.2: A 75 HIS : no HE2:sc= -3.57 K(o=-4.4,f=-6.9!) USER MOD Set 2.1: A 16 TYR OH : rot 119:sc= 0 USER MOD Set 2.2: A 71 CYS SG : rot 27:sc= 0.283 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= 0.0464 K(o=0.046,f=-0.46) USER MOD Single : A 19 GLN :FLIP amide:sc= -3.33! C(o=-5.3!,f=-3.3!) USER MOD Single : A 21 LYS NZ :NH3+ 156:sc= -2.1 (180deg=-4.07!) USER MOD Single : A 22 THR OG1 : rot 78:sc= 0.0326 USER MOD Single : A 24 GLN : amide:sc= -8.83! C(o=-8.8!,f=-9.8!) USER MOD Single : A 28 ASN : amide:sc= -1.17 X(o=-1.2,f=-0.73) USER MOD Single : A 34 SER OG : rot 180:sc= 0.0849 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot -25:sc= 0.56 USER MOD Single : A 42 LYS NZ :NH3+ -148:sc= -6.04! (180deg=-8.24!) USER MOD Single : A 43 SER OG : rot 72:sc= 0.784 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 59:sc= 0.776 USER MOD Single : A 52 HIS : no HD1:sc= 0 X(o=0,f=-0.031) USER MOD Single : A 57 SER OG : rot 140:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 178:sc= -1.69 (180deg=-1.84) USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.0514 USER MOD Single : A 81 LYS NZ :NH3+ -164:sc= -0.0635 (180deg=-0.396) USER MOD ----------------------------------------------------------------- ATOM 49 N ILE A 8 5.690 -1.815 -18.513 1.00 0.00 N ATOM 50 CA ILE A 8 6.078 -0.592 -17.815 1.00 0.00 C ATOM 51 C ILE A 8 7.042 0.258 -18.643 1.00 0.00 C ATOM 52 O ILE A 8 7.970 -0.261 -19.261 1.00 0.00 O ATOM 53 CB ILE A 8 6.745 -0.930 -16.467 1.00 0.00 C ATOM 54 CG1 ILE A 8 5.819 -1.802 -15.619 1.00 0.00 C ATOM 55 CG2 ILE A 8 7.103 0.342 -15.718 1.00 0.00 C ATOM 56 CD1 ILE A 8 6.448 -2.276 -14.327 1.00 0.00 C ATOM 0 HA ILE A 8 5.166 -0.019 -17.649 1.00 0.00 H new ATOM 0 HB ILE A 8 7.662 -1.485 -16.665 1.00 0.00 H new ATOM 0 HG12 ILE A 8 4.915 -1.239 -15.388 1.00 0.00 H new ATOM 0 HG13 ILE A 8 5.514 -2.669 -16.204 1.00 0.00 H new ATOM 0 HG21 ILE A 8 7.573 0.085 -14.769 1.00 0.00 H new ATOM 0 HG22 ILE A 8 7.795 0.934 -16.317 1.00 0.00 H new ATOM 0 HG23 ILE A 8 6.198 0.921 -15.530 1.00 0.00 H new ATOM 0 HD11 ILE A 8 5.733 -2.889 -13.778 1.00 0.00 H new ATOM 0 HD12 ILE A 8 7.336 -2.867 -14.550 1.00 0.00 H new ATOM 0 HD13 ILE A 8 6.728 -1.414 -13.721 1.00 0.00 H new ATOM 68 N THR A 9 6.823 1.570 -18.647 1.00 0.00 N ATOM 69 CA THR A 9 7.687 2.480 -19.393 1.00 0.00 C ATOM 70 C THR A 9 8.868 2.918 -18.534 1.00 0.00 C ATOM 71 O THR A 9 8.701 3.280 -17.367 1.00 0.00 O ATOM 72 CB THR A 9 6.929 3.731 -19.872 1.00 0.00 C ATOM 73 OG1 THR A 9 5.713 3.354 -20.535 1.00 0.00 O ATOM 74 CG2 THR A 9 7.793 4.547 -20.823 1.00 0.00 C ATOM 0 H THR A 9 6.060 2.025 -18.146 1.00 0.00 H new ATOM 0 HA THR A 9 8.042 1.934 -20.267 1.00 0.00 H new ATOM 0 HB THR A 9 6.689 4.338 -18.999 1.00 0.00 H new ATOM 0 HG1 THR A 9 5.240 4.159 -20.833 1.00 0.00 H new ATOM 0 HG21 THR A 9 7.241 5.428 -21.151 1.00 0.00 H new ATOM 0 HG22 THR A 9 8.703 4.859 -20.311 1.00 0.00 H new ATOM 0 HG23 THR A 9 8.055 3.939 -21.689 1.00 0.00 H new ATOM 82 N ASP A 10 10.060 2.877 -19.105 1.00 0.00 N ATOM 83 CA ASP A 10 11.260 3.256 -18.371 1.00 0.00 C ATOM 84 C ASP A 10 11.046 4.566 -17.593 1.00 0.00 C ATOM 85 O ASP A 10 11.579 4.739 -16.496 1.00 0.00 O ATOM 86 CB ASP A 10 12.446 3.374 -19.331 1.00 0.00 C ATOM 87 CG ASP A 10 13.729 2.822 -18.736 1.00 0.00 C ATOM 88 OD1 ASP A 10 13.656 2.157 -17.673 1.00 0.00 O ATOM 89 OD2 ASP A 10 14.801 3.035 -19.341 1.00 0.00 O ATOM 0 H ASP A 10 10.225 2.587 -20.069 1.00 0.00 H new ATOM 0 HA ASP A 10 11.479 2.476 -17.641 1.00 0.00 H new ATOM 0 HB2 ASP A 10 12.218 2.841 -20.254 1.00 0.00 H new ATOM 0 HB3 ASP A 10 12.593 4.421 -19.596 1.00 0.00 H new ATOM 94 N GLU A 11 10.247 5.484 -18.145 1.00 0.00 N ATOM 95 CA GLU A 11 9.971 6.749 -17.474 1.00 0.00 C ATOM 96 C GLU A 11 9.269 6.530 -16.135 1.00 0.00 C ATOM 97 O GLU A 11 9.722 7.009 -15.093 1.00 0.00 O ATOM 98 CB GLU A 11 9.106 7.644 -18.358 1.00 0.00 C ATOM 99 CG GLU A 11 9.895 8.557 -19.282 1.00 0.00 C ATOM 100 CD GLU A 11 9.137 9.827 -19.631 1.00 0.00 C ATOM 101 OE1 GLU A 11 7.975 9.724 -20.082 1.00 0.00 O ATOM 102 OE2 GLU A 11 9.708 10.926 -19.455 1.00 0.00 O ATOM 0 H GLU A 11 9.785 5.373 -19.048 1.00 0.00 H new ATOM 0 HA GLU A 11 10.929 7.235 -17.288 1.00 0.00 H new ATOM 0 HB2 GLU A 11 8.450 7.016 -18.960 1.00 0.00 H new ATOM 0 HB3 GLU A 11 8.466 8.255 -17.721 1.00 0.00 H new ATOM 0 HG2 GLU A 11 10.840 8.821 -18.807 1.00 0.00 H new ATOM 0 HG3 GLU A 11 10.138 8.019 -20.198 1.00 0.00 H new ATOM 109 N GLN A 12 8.163 5.796 -16.155 1.00 0.00 N ATOM 110 CA GLN A 12 7.429 5.525 -14.938 1.00 0.00 C ATOM 111 C GLN A 12 8.291 4.752 -13.955 1.00 0.00 C ATOM 112 O GLN A 12 8.209 4.960 -12.743 1.00 0.00 O ATOM 113 CB GLN A 12 6.123 4.799 -15.253 1.00 0.00 C ATOM 114 CG GLN A 12 4.965 5.770 -15.392 1.00 0.00 C ATOM 115 CD GLN A 12 3.627 5.103 -15.627 1.00 0.00 C ATOM 116 OE1 GLN A 12 3.635 3.807 -15.874 1.00 0.00 O flip ATOM 117 NE2 GLN A 12 2.590 5.756 -15.594 1.00 0.00 N flip ATOM 0 H GLN A 12 7.762 5.383 -16.997 1.00 0.00 H new ATOM 0 HA GLN A 12 7.168 6.471 -14.463 1.00 0.00 H new ATOM 0 HB2 GLN A 12 6.235 4.231 -16.176 1.00 0.00 H new ATOM 0 HB3 GLN A 12 5.905 4.082 -14.462 1.00 0.00 H new ATOM 0 HG2 GLN A 12 4.903 6.377 -14.489 1.00 0.00 H new ATOM 0 HG3 GLN A 12 5.171 6.449 -16.219 1.00 0.00 H new ATOM 0 HE21 GLN A 12 2.623 6.757 -15.400 1.00 0.00 H new ATOM 0 HE22 GLN A 12 1.694 5.299 -15.761 1.00 0.00 H new ATOM 126 N ARG A 13 9.148 3.886 -14.479 1.00 0.00 N ATOM 127 CA ARG A 13 10.036 3.130 -13.620 1.00 0.00 C ATOM 128 C ARG A 13 10.849 4.093 -12.758 1.00 0.00 C ATOM 129 O ARG A 13 10.815 4.024 -11.532 1.00 0.00 O ATOM 130 CB ARG A 13 10.958 2.243 -14.444 1.00 0.00 C ATOM 131 CG ARG A 13 11.702 1.242 -13.598 1.00 0.00 C ATOM 132 CD ARG A 13 12.385 0.199 -14.448 1.00 0.00 C ATOM 133 NE ARG A 13 13.437 -0.465 -13.693 1.00 0.00 N ATOM 134 CZ ARG A 13 14.311 -1.293 -14.202 1.00 0.00 C ATOM 135 NH1 ARG A 13 14.335 -1.524 -15.489 1.00 0.00 N ATOM 136 NH2 ARG A 13 15.187 -1.856 -13.413 1.00 0.00 N ATOM 0 H ARG A 13 9.244 3.695 -15.476 1.00 0.00 H new ATOM 0 HA ARG A 13 9.441 2.484 -12.974 1.00 0.00 H new ATOM 0 HB2 ARG A 13 10.372 1.714 -15.196 1.00 0.00 H new ATOM 0 HB3 ARG A 13 11.675 2.866 -14.979 1.00 0.00 H new ATOM 0 HG2 ARG A 13 12.443 1.759 -12.989 1.00 0.00 H new ATOM 0 HG3 ARG A 13 11.008 0.756 -12.912 1.00 0.00 H new ATOM 0 HD2 ARG A 13 11.655 -0.535 -14.789 1.00 0.00 H new ATOM 0 HD3 ARG A 13 12.807 0.666 -15.338 1.00 0.00 H new ATOM 0 HE ARG A 13 13.497 -0.270 -12.694 1.00 0.00 H new ATOM 0 HH11 ARG A 13 13.668 -1.057 -16.104 1.00 0.00 H new ATOM 0 HH12 ARG A 13 15.020 -2.172 -15.878 1.00 0.00 H new ATOM 0 HH21 ARG A 13 15.183 -1.647 -12.415 1.00 0.00 H new ATOM 0 HH22 ARG A 13 15.875 -2.504 -13.795 1.00 0.00 H new ATOM 150 N GLN A 14 11.551 5.028 -13.396 1.00 0.00 N ATOM 151 CA GLN A 14 12.322 6.018 -12.650 1.00 0.00 C ATOM 152 C GLN A 14 11.374 6.961 -11.914 1.00 0.00 C ATOM 153 O GLN A 14 11.687 7.486 -10.842 1.00 0.00 O ATOM 154 CB GLN A 14 13.237 6.824 -13.578 1.00 0.00 C ATOM 155 CG GLN A 14 12.506 7.696 -14.593 1.00 0.00 C ATOM 156 CD GLN A 14 13.451 8.623 -15.339 1.00 0.00 C ATOM 157 OE1 GLN A 14 14.017 9.546 -14.762 1.00 0.00 O ATOM 158 NE2 GLN A 14 13.635 8.388 -16.628 1.00 0.00 N ATOM 0 H GLN A 14 11.602 5.120 -14.411 1.00 0.00 H new ATOM 0 HA GLN A 14 12.948 5.490 -11.931 1.00 0.00 H new ATOM 0 HB2 GLN A 14 13.880 7.460 -12.969 1.00 0.00 H new ATOM 0 HB3 GLN A 14 13.887 6.133 -14.114 1.00 0.00 H new ATOM 0 HG2 GLN A 14 11.985 7.059 -15.308 1.00 0.00 H new ATOM 0 HG3 GLN A 14 11.747 8.288 -14.081 1.00 0.00 H new ATOM 0 HE21 GLN A 14 13.150 7.613 -17.079 1.00 0.00 H new ATOM 0 HE22 GLN A 14 14.262 8.982 -17.170 1.00 0.00 H new ATOM 167 N TYR A 15 10.214 7.186 -12.513 1.00 0.00 N ATOM 168 CA TYR A 15 9.214 8.076 -11.941 1.00 0.00 C ATOM 169 C TYR A 15 8.810 7.644 -10.528 1.00 0.00 C ATOM 170 O TYR A 15 8.921 8.424 -9.586 1.00 0.00 O ATOM 171 CB TYR A 15 7.984 8.096 -12.849 1.00 0.00 C ATOM 172 CG TYR A 15 7.002 9.197 -12.539 1.00 0.00 C ATOM 173 CD1 TYR A 15 7.421 10.517 -12.423 1.00 0.00 C ATOM 174 CD2 TYR A 15 5.652 8.920 -12.387 1.00 0.00 C ATOM 175 CE1 TYR A 15 6.518 11.528 -12.163 1.00 0.00 C ATOM 176 CE2 TYR A 15 4.742 9.926 -12.133 1.00 0.00 C ATOM 177 CZ TYR A 15 5.180 11.228 -12.019 1.00 0.00 C ATOM 178 OH TYR A 15 4.278 12.236 -11.772 1.00 0.00 O ATOM 0 H TYR A 15 9.941 6.762 -13.400 1.00 0.00 H new ATOM 0 HA TYR A 15 9.646 9.074 -11.868 1.00 0.00 H new ATOM 0 HB2 TYR A 15 8.312 8.198 -13.883 1.00 0.00 H new ATOM 0 HB3 TYR A 15 7.473 7.136 -12.770 1.00 0.00 H new ATOM 0 HD1 TYR A 15 8.468 10.755 -12.538 1.00 0.00 H new ATOM 0 HD2 TYR A 15 5.307 7.900 -12.469 1.00 0.00 H new ATOM 0 HE1 TYR A 15 6.858 12.549 -12.073 1.00 0.00 H new ATOM 0 HE2 TYR A 15 3.693 9.694 -12.024 1.00 0.00 H new ATOM 0 HH TYR A 15 3.377 11.858 -11.698 1.00 0.00 H new ATOM 188 N TYR A 16 8.354 6.405 -10.373 1.00 0.00 N ATOM 189 CA TYR A 16 7.947 5.918 -9.056 1.00 0.00 C ATOM 190 C TYR A 16 9.141 5.861 -8.105 1.00 0.00 C ATOM 191 O TYR A 16 9.025 6.180 -6.920 1.00 0.00 O ATOM 192 CB TYR A 16 7.274 4.542 -9.168 1.00 0.00 C ATOM 193 CG TYR A 16 8.230 3.370 -9.247 1.00 0.00 C ATOM 194 CD1 TYR A 16 8.988 2.992 -8.144 1.00 0.00 C ATOM 195 CD2 TYR A 16 8.361 2.629 -10.416 1.00 0.00 C ATOM 196 CE1 TYR A 16 9.846 1.912 -8.204 1.00 0.00 C ATOM 197 CE2 TYR A 16 9.222 1.548 -10.484 1.00 0.00 C ATOM 198 CZ TYR A 16 9.960 1.194 -9.374 1.00 0.00 C ATOM 199 OH TYR A 16 10.809 0.112 -9.433 1.00 0.00 O ATOM 0 H TYR A 16 8.257 5.727 -11.129 1.00 0.00 H new ATOM 0 HA TYR A 16 7.220 6.619 -8.646 1.00 0.00 H new ATOM 0 HB2 TYR A 16 6.621 4.402 -8.307 1.00 0.00 H new ATOM 0 HB3 TYR A 16 6.639 4.535 -10.054 1.00 0.00 H new ATOM 0 HD1 TYR A 16 8.904 3.553 -7.225 1.00 0.00 H new ATOM 0 HD2 TYR A 16 7.781 2.902 -11.285 1.00 0.00 H new ATOM 0 HE1 TYR A 16 10.426 1.631 -7.337 1.00 0.00 H new ATOM 0 HE2 TYR A 16 9.316 0.985 -11.401 1.00 0.00 H new ATOM 0 HH TYR A 16 10.295 -0.696 -9.639 1.00 0.00 H new ATOM 209 N VAL A 17 10.289 5.461 -8.633 1.00 0.00 N ATOM 210 CA VAL A 17 11.510 5.366 -7.840 1.00 0.00 C ATOM 211 C VAL A 17 11.926 6.730 -7.289 1.00 0.00 C ATOM 212 O VAL A 17 12.402 6.841 -6.158 1.00 0.00 O ATOM 213 CB VAL A 17 12.666 4.791 -8.677 1.00 0.00 C ATOM 214 CG1 VAL A 17 13.919 4.636 -7.833 1.00 0.00 C ATOM 215 CG2 VAL A 17 12.264 3.464 -9.290 1.00 0.00 C ATOM 0 H VAL A 17 10.402 5.196 -9.611 1.00 0.00 H new ATOM 0 HA VAL A 17 11.296 4.697 -7.006 1.00 0.00 H new ATOM 0 HB VAL A 17 12.888 5.491 -9.483 1.00 0.00 H new ATOM 0 HG11 VAL A 17 14.723 4.228 -8.446 1.00 0.00 H new ATOM 0 HG12 VAL A 17 14.218 5.609 -7.444 1.00 0.00 H new ATOM 0 HG13 VAL A 17 13.717 3.959 -7.003 1.00 0.00 H new ATOM 0 HG21 VAL A 17 13.092 3.070 -9.879 1.00 0.00 H new ATOM 0 HG22 VAL A 17 12.014 2.758 -8.498 1.00 0.00 H new ATOM 0 HG23 VAL A 17 11.397 3.609 -9.934 1.00 0.00 H new ATOM 225 N ASN A 18 11.753 7.763 -8.095 1.00 0.00 N ATOM 226 CA ASN A 18 12.119 9.113 -7.700 1.00 0.00 C ATOM 227 C ASN A 18 11.618 9.470 -6.294 1.00 0.00 C ATOM 228 O ASN A 18 12.395 9.928 -5.461 1.00 0.00 O ATOM 229 CB ASN A 18 11.585 10.096 -8.734 1.00 0.00 C ATOM 230 CG ASN A 18 12.628 10.471 -9.768 1.00 0.00 C ATOM 231 OD1 ASN A 18 13.558 11.220 -9.482 1.00 0.00 O ATOM 232 ND2 ASN A 18 12.499 9.934 -10.967 1.00 0.00 N ATOM 0 H ASN A 18 11.359 7.692 -9.033 1.00 0.00 H new ATOM 0 HA ASN A 18 13.207 9.173 -7.660 1.00 0.00 H new ATOM 0 HB2 ASN A 18 10.722 9.659 -9.235 1.00 0.00 H new ATOM 0 HB3 ASN A 18 11.238 10.997 -8.229 1.00 0.00 H new ATOM 0 HD21 ASN A 18 13.186 10.137 -11.693 1.00 0.00 H new ATOM 0 HD22 ASN A 18 11.713 9.316 -11.167 1.00 0.00 H new ATOM 239 N GLN A 19 10.327 9.277 -6.029 1.00 0.00 N ATOM 240 CA GLN A 19 9.773 9.607 -4.711 1.00 0.00 C ATOM 241 C GLN A 19 9.837 8.437 -3.723 1.00 0.00 C ATOM 242 O GLN A 19 10.390 8.563 -2.627 1.00 0.00 O ATOM 243 CB GLN A 19 8.315 10.048 -4.842 1.00 0.00 C ATOM 244 CG GLN A 19 8.122 11.273 -5.712 1.00 0.00 C ATOM 245 CD GLN A 19 8.304 10.972 -7.184 1.00 0.00 C ATOM 246 OE1 GLN A 19 9.295 11.589 -7.799 1.00 0.00 O flip ATOM 247 NE2 GLN A 19 7.564 10.184 -7.763 1.00 0.00 N flip ATOM 0 H GLN A 19 9.652 8.900 -6.695 1.00 0.00 H new ATOM 0 HA GLN A 19 10.390 10.415 -4.319 1.00 0.00 H new ATOM 0 HB2 GLN A 19 7.732 9.225 -5.255 1.00 0.00 H new ATOM 0 HB3 GLN A 19 7.917 10.253 -3.848 1.00 0.00 H new ATOM 0 HG2 GLN A 19 7.123 11.678 -5.548 1.00 0.00 H new ATOM 0 HG3 GLN A 19 8.832 12.044 -5.411 1.00 0.00 H new ATOM 0 HE21 GLN A 19 6.808 9.726 -7.254 1.00 0.00 H new ATOM 0 HE22 GLN A 19 7.704 9.987 -8.754 1.00 0.00 H new ATOM 256 N PHE A 20 9.258 7.305 -4.103 1.00 0.00 N ATOM 257 CA PHE A 20 9.234 6.142 -3.225 1.00 0.00 C ATOM 258 C PHE A 20 10.622 5.736 -2.749 1.00 0.00 C ATOM 259 O PHE A 20 10.760 5.112 -1.697 1.00 0.00 O ATOM 260 CB PHE A 20 8.520 4.967 -3.871 1.00 0.00 C ATOM 261 CG PHE A 20 7.158 4.758 -3.278 1.00 0.00 C ATOM 262 CD1 PHE A 20 6.187 5.739 -3.387 1.00 0.00 C ATOM 263 CD2 PHE A 20 6.858 3.595 -2.589 1.00 0.00 C ATOM 264 CE1 PHE A 20 4.939 5.563 -2.821 1.00 0.00 C ATOM 265 CE2 PHE A 20 5.611 3.412 -2.024 1.00 0.00 C ATOM 266 CZ PHE A 20 4.651 4.398 -2.140 1.00 0.00 C ATOM 0 H PHE A 20 8.802 7.168 -5.005 1.00 0.00 H new ATOM 0 HA PHE A 20 8.669 6.441 -2.342 1.00 0.00 H new ATOM 0 HB2 PHE A 20 8.428 5.140 -4.943 1.00 0.00 H new ATOM 0 HB3 PHE A 20 9.116 4.063 -3.744 1.00 0.00 H new ATOM 0 HD1 PHE A 20 6.408 6.652 -3.920 1.00 0.00 H new ATOM 0 HD2 PHE A 20 7.607 2.823 -2.492 1.00 0.00 H new ATOM 0 HE1 PHE A 20 4.190 6.336 -2.911 1.00 0.00 H new ATOM 0 HE2 PHE A 20 5.387 2.499 -1.492 1.00 0.00 H new ATOM 0 HZ PHE A 20 3.676 4.257 -1.698 1.00 0.00 H new ATOM 276 N LYS A 21 11.655 6.091 -3.503 1.00 0.00 N ATOM 277 CA LYS A 21 13.012 5.747 -3.101 1.00 0.00 C ATOM 278 C LYS A 21 13.248 6.098 -1.635 1.00 0.00 C ATOM 279 O LYS A 21 13.966 5.395 -0.932 1.00 0.00 O ATOM 280 CB LYS A 21 14.049 6.456 -3.970 1.00 0.00 C ATOM 281 CG LYS A 21 14.713 5.541 -4.983 1.00 0.00 C ATOM 282 CD LYS A 21 16.140 5.974 -5.280 1.00 0.00 C ATOM 283 CE LYS A 21 16.186 7.208 -6.166 1.00 0.00 C ATOM 284 NZ LYS A 21 15.455 8.356 -5.564 1.00 0.00 N ATOM 0 H LYS A 21 11.582 6.607 -4.380 1.00 0.00 H new ATOM 0 HA LYS A 21 13.125 4.671 -3.235 1.00 0.00 H new ATOM 0 HB2 LYS A 21 13.568 7.281 -4.496 1.00 0.00 H new ATOM 0 HB3 LYS A 21 14.815 6.891 -3.327 1.00 0.00 H new ATOM 0 HG2 LYS A 21 14.714 4.519 -4.605 1.00 0.00 H new ATOM 0 HG3 LYS A 21 14.134 5.539 -5.906 1.00 0.00 H new ATOM 0 HD2 LYS A 21 16.659 6.180 -4.344 1.00 0.00 H new ATOM 0 HD3 LYS A 21 16.673 5.157 -5.767 1.00 0.00 H new ATOM 0 HE2 LYS A 21 17.224 7.491 -6.340 1.00 0.00 H new ATOM 0 HE3 LYS A 21 15.753 6.972 -7.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 15.827 9.246 -5.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 14.442 8.278 -5.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 15.585 8.347 -4.532 1.00 0.00 H new ATOM 298 N THR A 22 12.634 7.181 -1.167 1.00 0.00 N ATOM 299 CA THR A 22 12.793 7.582 0.227 1.00 0.00 C ATOM 300 C THR A 22 12.580 6.382 1.146 1.00 0.00 C ATOM 301 O THR A 22 13.130 6.317 2.243 1.00 0.00 O ATOM 302 CB THR A 22 11.812 8.705 0.623 1.00 0.00 C ATOM 303 OG1 THR A 22 12.033 9.864 -0.193 1.00 0.00 O ATOM 304 CG2 THR A 22 11.976 9.078 2.088 1.00 0.00 C ATOM 0 H THR A 22 12.031 7.788 -1.722 1.00 0.00 H new ATOM 0 HA THR A 22 13.808 7.964 0.338 1.00 0.00 H new ATOM 0 HB THR A 22 10.798 8.337 0.467 1.00 0.00 H new ATOM 0 HG1 THR A 22 11.622 9.728 -1.072 1.00 0.00 H new ATOM 0 HG21 THR A 22 11.273 9.872 2.342 1.00 0.00 H new ATOM 0 HG22 THR A 22 11.778 8.205 2.710 1.00 0.00 H new ATOM 0 HG23 THR A 22 12.994 9.425 2.263 1.00 0.00 H new ATOM 312 N ILE A 23 11.776 5.433 0.686 1.00 0.00 N ATOM 313 CA ILE A 23 11.490 4.233 1.462 1.00 0.00 C ATOM 314 C ILE A 23 11.946 2.964 0.735 1.00 0.00 C ATOM 315 O ILE A 23 12.860 2.273 1.184 1.00 0.00 O ATOM 316 CB ILE A 23 9.986 4.111 1.762 1.00 0.00 C ATOM 317 CG1 ILE A 23 9.459 5.408 2.378 1.00 0.00 C ATOM 318 CG2 ILE A 23 9.724 2.934 2.688 1.00 0.00 C ATOM 319 CD1 ILE A 23 7.996 5.347 2.755 1.00 0.00 C ATOM 0 H ILE A 23 11.310 5.470 -0.221 1.00 0.00 H new ATOM 0 HA ILE A 23 12.046 4.330 2.395 1.00 0.00 H new ATOM 0 HB ILE A 23 9.458 3.935 0.825 1.00 0.00 H new ATOM 0 HG12 ILE A 23 10.045 5.643 3.266 1.00 0.00 H new ATOM 0 HG13 ILE A 23 9.610 6.224 1.671 1.00 0.00 H new ATOM 0 HG21 ILE A 23 8.655 2.861 2.891 1.00 0.00 H new ATOM 0 HG22 ILE A 23 10.067 2.014 2.214 1.00 0.00 H new ATOM 0 HG23 ILE A 23 10.262 3.081 3.625 1.00 0.00 H new ATOM 0 HD11 ILE A 23 7.691 6.301 3.185 1.00 0.00 H new ATOM 0 HD12 ILE A 23 7.399 5.143 1.866 1.00 0.00 H new ATOM 0 HD13 ILE A 23 7.841 4.553 3.486 1.00 0.00 H new ATOM 331 N GLN A 24 11.296 2.659 -0.384 1.00 0.00 N ATOM 332 CA GLN A 24 11.624 1.472 -1.162 1.00 0.00 C ATOM 333 C GLN A 24 12.302 1.840 -2.481 1.00 0.00 C ATOM 334 O GLN A 24 11.676 1.843 -3.541 1.00 0.00 O ATOM 335 CB GLN A 24 10.353 0.676 -1.416 1.00 0.00 C ATOM 336 CG GLN A 24 10.455 -0.776 -0.982 1.00 0.00 C ATOM 337 CD GLN A 24 11.051 -0.925 0.410 1.00 0.00 C ATOM 338 OE1 GLN A 24 12.256 -0.802 0.599 1.00 0.00 O ATOM 339 NE2 GLN A 24 10.210 -1.168 1.401 1.00 0.00 N ATOM 0 H GLN A 24 10.537 3.220 -0.772 1.00 0.00 H new ATOM 0 HA GLN A 24 12.329 0.864 -0.595 1.00 0.00 H new ATOM 0 HB2 GLN A 24 9.525 1.148 -0.887 1.00 0.00 H new ATOM 0 HB3 GLN A 24 10.115 0.714 -2.479 1.00 0.00 H new ATOM 0 HG2 GLN A 24 9.463 -1.228 -1.000 1.00 0.00 H new ATOM 0 HG3 GLN A 24 11.068 -1.324 -1.697 1.00 0.00 H new ATOM 0 HE21 GLN A 24 9.213 -1.265 1.211 1.00 0.00 H new ATOM 0 HE22 GLN A 24 10.559 -1.258 2.355 1.00 0.00 H new ATOM 348 N PRO A 25 13.592 2.178 -2.420 1.00 0.00 N ATOM 349 CA PRO A 25 14.364 2.578 -3.600 1.00 0.00 C ATOM 350 C PRO A 25 14.669 1.442 -4.586 1.00 0.00 C ATOM 351 O PRO A 25 14.404 1.571 -5.777 1.00 0.00 O ATOM 352 CB PRO A 25 15.665 3.117 -3.001 1.00 0.00 C ATOM 353 CG PRO A 25 15.797 2.413 -1.695 1.00 0.00 C ATOM 354 CD PRO A 25 14.397 2.226 -1.185 1.00 0.00 C ATOM 0 HA PRO A 25 13.799 3.292 -4.199 1.00 0.00 H new ATOM 0 HB2 PRO A 25 16.516 2.911 -3.650 1.00 0.00 H new ATOM 0 HB3 PRO A 25 15.622 4.198 -2.866 1.00 0.00 H new ATOM 0 HG2 PRO A 25 16.299 1.454 -1.818 1.00 0.00 H new ATOM 0 HG3 PRO A 25 16.393 2.998 -0.994 1.00 0.00 H new ATOM 0 HD2 PRO A 25 14.299 1.309 -0.605 1.00 0.00 H new ATOM 0 HD3 PRO A 25 14.091 3.047 -0.537 1.00 0.00 H new ATOM 362 N ASP A 26 15.268 0.353 -4.106 1.00 0.00 N ATOM 363 CA ASP A 26 15.640 -0.752 -4.996 1.00 0.00 C ATOM 364 C ASP A 26 15.796 -2.086 -4.247 1.00 0.00 C ATOM 365 O ASP A 26 15.466 -3.141 -4.775 1.00 0.00 O ATOM 366 CB ASP A 26 16.955 -0.384 -5.675 1.00 0.00 C ATOM 367 CG ASP A 26 17.278 -1.246 -6.882 1.00 0.00 C ATOM 368 OD1 ASP A 26 17.413 -2.473 -6.721 1.00 0.00 O ATOM 369 OD2 ASP A 26 17.416 -0.685 -7.992 1.00 0.00 O ATOM 0 H ASP A 26 15.504 0.210 -3.124 1.00 0.00 H new ATOM 0 HA ASP A 26 14.842 -0.895 -5.725 1.00 0.00 H new ATOM 0 HB2 ASP A 26 16.914 0.660 -5.985 1.00 0.00 H new ATOM 0 HB3 ASP A 26 17.765 -0.470 -4.950 1.00 0.00 H new ATOM 374 N LEU A 27 16.328 -2.020 -3.028 1.00 0.00 N ATOM 375 CA LEU A 27 16.565 -3.209 -2.193 1.00 0.00 C ATOM 376 C LEU A 27 15.370 -4.186 -2.155 1.00 0.00 C ATOM 377 O LEU A 27 14.633 -4.343 -3.119 1.00 0.00 O ATOM 378 CB LEU A 27 16.877 -2.754 -0.768 1.00 0.00 C ATOM 379 CG LEU A 27 15.705 -2.070 -0.057 1.00 0.00 C ATOM 380 CD1 LEU A 27 15.580 -2.569 1.372 1.00 0.00 C ATOM 381 CD2 LEU A 27 15.877 -0.560 -0.079 1.00 0.00 C ATOM 0 H LEU A 27 16.609 -1.144 -2.586 1.00 0.00 H new ATOM 0 HA LEU A 27 17.400 -3.749 -2.639 1.00 0.00 H new ATOM 0 HB2 LEU A 27 17.188 -3.619 -0.182 1.00 0.00 H new ATOM 0 HB3 LEU A 27 17.722 -2.067 -0.795 1.00 0.00 H new ATOM 0 HG LEU A 27 14.788 -2.322 -0.590 1.00 0.00 H new ATOM 0 HD11 LEU A 27 14.742 -2.071 1.859 1.00 0.00 H new ATOM 0 HD12 LEU A 27 15.410 -3.646 1.368 1.00 0.00 H new ATOM 0 HD13 LEU A 27 16.499 -2.349 1.916 1.00 0.00 H new ATOM 0 HD21 LEU A 27 15.035 -0.090 0.430 1.00 0.00 H new ATOM 0 HD22 LEU A 27 16.804 -0.292 0.428 1.00 0.00 H new ATOM 0 HD23 LEU A 27 15.915 -0.213 -1.112 1.00 0.00 H new ATOM 393 N ASN A 28 15.193 -4.850 -1.013 1.00 0.00 N ATOM 394 CA ASN A 28 14.104 -5.810 -0.837 1.00 0.00 C ATOM 395 C ASN A 28 13.304 -5.463 0.414 1.00 0.00 C ATOM 396 O ASN A 28 13.109 -6.286 1.303 1.00 0.00 O ATOM 397 CB ASN A 28 14.665 -7.223 -0.725 1.00 0.00 C ATOM 398 CG ASN A 28 13.594 -8.288 -0.816 1.00 0.00 C ATOM 399 OD1 ASN A 28 12.749 -8.424 0.062 1.00 0.00 O ATOM 400 ND2 ASN A 28 13.621 -9.040 -1.895 1.00 0.00 N ATOM 0 H ASN A 28 15.791 -4.740 -0.194 1.00 0.00 H new ATOM 0 HA ASN A 28 13.445 -5.762 -1.704 1.00 0.00 H new ATOM 0 HB2 ASN A 28 15.397 -7.382 -1.517 1.00 0.00 H new ATOM 0 HB3 ASN A 28 15.193 -7.325 0.223 1.00 0.00 H new ATOM 0 HD21 ASN A 28 12.921 -9.770 -2.025 1.00 0.00 H new ATOM 0 HD22 ASN A 28 14.342 -8.893 -2.601 1.00 0.00 H new ATOM 407 N GLY A 29 12.873 -4.217 0.479 1.00 0.00 N ATOM 408 CA GLY A 29 12.126 -3.745 1.628 1.00 0.00 C ATOM 409 C GLY A 29 10.624 -3.745 1.418 1.00 0.00 C ATOM 410 O GLY A 29 10.132 -3.552 0.305 1.00 0.00 O ATOM 0 H GLY A 29 13.027 -3.517 -0.247 1.00 0.00 H new ATOM 0 HA2 GLY A 29 12.364 -4.371 2.488 1.00 0.00 H new ATOM 0 HA3 GLY A 29 12.450 -2.733 1.871 1.00 0.00 H new ATOM 414 N PHE A 30 9.896 -3.969 2.501 1.00 0.00 N ATOM 415 CA PHE A 30 8.440 -4.001 2.459 1.00 0.00 C ATOM 416 C PHE A 30 7.840 -2.810 3.207 1.00 0.00 C ATOM 417 O PHE A 30 8.154 -2.569 4.374 1.00 0.00 O ATOM 418 CB PHE A 30 7.922 -5.300 3.084 1.00 0.00 C ATOM 419 CG PHE A 30 8.503 -6.549 2.482 1.00 0.00 C ATOM 420 CD1 PHE A 30 9.872 -6.762 2.471 1.00 0.00 C ATOM 421 CD2 PHE A 30 7.675 -7.515 1.934 1.00 0.00 C ATOM 422 CE1 PHE A 30 10.405 -7.914 1.925 1.00 0.00 C ATOM 423 CE2 PHE A 30 8.201 -8.668 1.386 1.00 0.00 C ATOM 424 CZ PHE A 30 9.568 -8.869 1.382 1.00 0.00 C ATOM 0 H PHE A 30 10.292 -4.133 3.427 1.00 0.00 H new ATOM 0 HA PHE A 30 8.137 -3.948 1.413 1.00 0.00 H new ATOM 0 HB2 PHE A 30 8.141 -5.289 4.152 1.00 0.00 H new ATOM 0 HB3 PHE A 30 6.837 -5.332 2.982 1.00 0.00 H new ATOM 0 HD1 PHE A 30 10.531 -6.018 2.894 1.00 0.00 H new ATOM 0 HD2 PHE A 30 6.606 -7.364 1.935 1.00 0.00 H new ATOM 0 HE1 PHE A 30 11.474 -8.067 1.923 1.00 0.00 H new ATOM 0 HE2 PHE A 30 7.544 -9.412 0.961 1.00 0.00 H new ATOM 0 HZ PHE A 30 9.981 -9.771 0.955 1.00 0.00 H new ATOM 434 N ILE A 31 6.964 -2.077 2.538 1.00 0.00 N ATOM 435 CA ILE A 31 6.309 -0.929 3.150 1.00 0.00 C ATOM 436 C ILE A 31 5.003 -1.332 3.828 1.00 0.00 C ATOM 437 O ILE A 31 4.044 -1.733 3.171 1.00 0.00 O ATOM 438 CB ILE A 31 5.996 0.172 2.118 1.00 0.00 C ATOM 439 CG1 ILE A 31 7.251 0.967 1.777 1.00 0.00 C ATOM 440 CG2 ILE A 31 4.915 1.098 2.651 1.00 0.00 C ATOM 441 CD1 ILE A 31 7.075 1.877 0.582 1.00 0.00 C ATOM 0 H ILE A 31 6.690 -2.255 1.572 1.00 0.00 H new ATOM 0 HA ILE A 31 7.008 -0.541 3.891 1.00 0.00 H new ATOM 0 HB ILE A 31 5.635 -0.305 1.206 1.00 0.00 H new ATOM 0 HG12 ILE A 31 7.540 1.565 2.641 1.00 0.00 H new ATOM 0 HG13 ILE A 31 8.069 0.274 1.580 1.00 0.00 H new ATOM 0 HG21 ILE A 31 4.702 1.872 1.913 1.00 0.00 H new ATOM 0 HG22 ILE A 31 4.009 0.525 2.847 1.00 0.00 H new ATOM 0 HG23 ILE A 31 5.257 1.563 3.576 1.00 0.00 H new ATOM 0 HD11 ILE A 31 8.005 2.414 0.393 1.00 0.00 H new ATOM 0 HD12 ILE A 31 6.815 1.282 -0.293 1.00 0.00 H new ATOM 0 HD13 ILE A 31 6.278 2.592 0.784 1.00 0.00 H new ATOM 453 N PRO A 32 4.928 -1.194 5.150 1.00 0.00 N ATOM 454 CA PRO A 32 3.711 -1.519 5.892 1.00 0.00 C ATOM 455 C PRO A 32 2.548 -0.638 5.438 1.00 0.00 C ATOM 456 O PRO A 32 2.765 0.401 4.812 1.00 0.00 O ATOM 457 CB PRO A 32 4.090 -1.226 7.348 1.00 0.00 C ATOM 458 CG PRO A 32 5.239 -0.281 7.257 1.00 0.00 C ATOM 459 CD PRO A 32 5.994 -0.681 6.023 1.00 0.00 C ATOM 0 HA PRO A 32 3.380 -2.547 5.741 1.00 0.00 H new ATOM 0 HB2 PRO A 32 3.256 -0.784 7.893 1.00 0.00 H new ATOM 0 HB3 PRO A 32 4.368 -2.138 7.876 1.00 0.00 H new ATOM 0 HG2 PRO A 32 4.894 0.751 7.188 1.00 0.00 H new ATOM 0 HG3 PRO A 32 5.872 -0.347 8.142 1.00 0.00 H new ATOM 0 HD2 PRO A 32 6.515 0.165 5.574 1.00 0.00 H new ATOM 0 HD3 PRO A 32 6.745 -1.441 6.236 1.00 0.00 H new ATOM 467 N GLY A 33 1.321 -1.042 5.731 1.00 0.00 N ATOM 468 CA GLY A 33 0.169 -0.247 5.316 1.00 0.00 C ATOM 469 C GLY A 33 0.076 1.093 6.040 1.00 0.00 C ATOM 470 O GLY A 33 -1.016 1.549 6.376 1.00 0.00 O ATOM 0 H GLY A 33 1.097 -1.895 6.243 1.00 0.00 H new ATOM 0 HA2 GLY A 33 0.225 -0.070 4.242 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -0.743 -0.816 5.498 1.00 0.00 H new ATOM 474 N SER A 34 1.223 1.720 6.279 1.00 0.00 N ATOM 475 CA SER A 34 1.277 3.005 6.969 1.00 0.00 C ATOM 476 C SER A 34 1.417 4.174 5.992 1.00 0.00 C ATOM 477 O SER A 34 0.436 4.815 5.629 1.00 0.00 O ATOM 478 CB SER A 34 2.453 3.014 7.946 1.00 0.00 C ATOM 479 OG SER A 34 3.672 2.739 7.272 1.00 0.00 O ATOM 0 H SER A 34 2.135 1.356 6.003 1.00 0.00 H new ATOM 0 HA SER A 34 0.338 3.131 7.508 1.00 0.00 H new ATOM 0 HB2 SER A 34 2.515 3.985 8.438 1.00 0.00 H new ATOM 0 HB3 SER A 34 2.289 2.271 8.727 1.00 0.00 H new ATOM 0 HG SER A 34 4.411 2.751 7.915 1.00 0.00 H new ATOM 485 N ALA A 35 2.647 4.451 5.576 1.00 0.00 N ATOM 486 CA ALA A 35 2.915 5.557 4.657 1.00 0.00 C ATOM 487 C ALA A 35 2.134 5.434 3.348 1.00 0.00 C ATOM 488 O ALA A 35 1.861 6.428 2.676 1.00 0.00 O ATOM 489 CB ALA A 35 4.405 5.637 4.368 1.00 0.00 C ATOM 0 H ALA A 35 3.475 3.927 5.858 1.00 0.00 H new ATOM 0 HA ALA A 35 2.581 6.472 5.145 1.00 0.00 H new ATOM 0 HB1 ALA A 35 4.599 6.462 3.683 1.00 0.00 H new ATOM 0 HB2 ALA A 35 4.948 5.803 5.299 1.00 0.00 H new ATOM 0 HB3 ALA A 35 4.738 4.703 3.915 1.00 0.00 H new ATOM 495 N ALA A 36 1.804 4.212 2.976 1.00 0.00 N ATOM 496 CA ALA A 36 1.084 3.953 1.732 1.00 0.00 C ATOM 497 C ALA A 36 -0.136 4.864 1.548 1.00 0.00 C ATOM 498 O ALA A 36 -0.330 5.444 0.477 1.00 0.00 O ATOM 499 CB ALA A 36 0.658 2.496 1.684 1.00 0.00 C ATOM 0 H ALA A 36 2.022 3.375 3.517 1.00 0.00 H new ATOM 0 HA ALA A 36 1.767 4.173 0.912 1.00 0.00 H new ATOM 0 HB1 ALA A 36 0.121 2.304 0.755 1.00 0.00 H new ATOM 0 HB2 ALA A 36 1.540 1.857 1.732 1.00 0.00 H new ATOM 0 HB3 ALA A 36 0.007 2.279 2.531 1.00 0.00 H new ATOM 505 N LYS A 37 -0.957 4.978 2.585 1.00 0.00 N ATOM 506 CA LYS A 37 -2.160 5.796 2.527 1.00 0.00 C ATOM 507 C LYS A 37 -1.848 7.256 2.221 1.00 0.00 C ATOM 508 O LYS A 37 -2.359 7.832 1.262 1.00 0.00 O ATOM 509 CB LYS A 37 -2.881 5.707 3.867 1.00 0.00 C ATOM 510 CG LYS A 37 -3.965 4.650 3.915 1.00 0.00 C ATOM 511 CD LYS A 37 -3.376 3.256 3.822 1.00 0.00 C ATOM 512 CE LYS A 37 -4.456 2.211 3.621 1.00 0.00 C ATOM 513 NZ LYS A 37 -3.900 0.835 3.680 1.00 0.00 N ATOM 0 H LYS A 37 -0.810 4.511 3.480 1.00 0.00 H new ATOM 0 HA LYS A 37 -2.787 5.417 1.720 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -2.150 5.499 4.648 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -3.323 6.677 4.095 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -4.531 4.747 4.842 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -4.666 4.807 3.095 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -2.668 3.213 2.995 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -2.818 3.034 4.731 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -5.223 2.328 4.386 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -4.941 2.368 2.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -4.665 0.145 3.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -3.185 0.717 2.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -3.460 0.678 4.609 1.00 0.00 H new ATOM 527 N GLU A 38 -1.009 7.839 3.048 1.00 0.00 N ATOM 528 CA GLU A 38 -0.614 9.216 2.899 1.00 0.00 C ATOM 529 C GLU A 38 0.092 9.435 1.572 1.00 0.00 C ATOM 530 O GLU A 38 -0.285 10.295 0.781 1.00 0.00 O ATOM 531 CB GLU A 38 0.309 9.589 4.050 1.00 0.00 C ATOM 532 CG GLU A 38 -0.409 9.842 5.372 1.00 0.00 C ATOM 533 CD GLU A 38 -1.053 8.595 5.955 1.00 0.00 C ATOM 534 OE1 GLU A 38 -0.893 7.508 5.364 1.00 0.00 O ATOM 535 OE2 GLU A 38 -1.711 8.708 7.010 1.00 0.00 O ATOM 0 H GLU A 38 -0.582 7.367 3.845 1.00 0.00 H new ATOM 0 HA GLU A 38 -1.502 9.848 2.914 1.00 0.00 H new ATOM 0 HB2 GLU A 38 1.036 8.789 4.192 1.00 0.00 H new ATOM 0 HB3 GLU A 38 0.869 10.484 3.777 1.00 0.00 H new ATOM 0 HG2 GLU A 38 0.303 10.246 6.092 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -1.176 10.602 5.221 1.00 0.00 H new ATOM 542 N PHE A 39 1.113 8.640 1.329 1.00 0.00 N ATOM 543 CA PHE A 39 1.870 8.737 0.099 1.00 0.00 C ATOM 544 C PHE A 39 0.928 8.830 -1.104 1.00 0.00 C ATOM 545 O PHE A 39 1.022 9.752 -1.919 1.00 0.00 O ATOM 546 CB PHE A 39 2.767 7.513 -0.021 1.00 0.00 C ATOM 547 CG PHE A 39 4.198 7.837 -0.330 1.00 0.00 C ATOM 548 CD1 PHE A 39 4.525 8.690 -1.370 1.00 0.00 C ATOM 549 CD2 PHE A 39 5.220 7.282 0.423 1.00 0.00 C ATOM 550 CE1 PHE A 39 5.844 8.985 -1.654 1.00 0.00 C ATOM 551 CE2 PHE A 39 6.542 7.570 0.143 1.00 0.00 C ATOM 552 CZ PHE A 39 6.854 8.424 -0.896 1.00 0.00 C ATOM 0 H PHE A 39 1.439 7.917 1.970 1.00 0.00 H new ATOM 0 HA PHE A 39 2.481 9.639 0.116 1.00 0.00 H new ATOM 0 HB2 PHE A 39 2.725 6.951 0.912 1.00 0.00 H new ATOM 0 HB3 PHE A 39 2.375 6.862 -0.803 1.00 0.00 H new ATOM 0 HD1 PHE A 39 3.739 9.130 -1.966 1.00 0.00 H new ATOM 0 HD2 PHE A 39 4.980 6.616 1.239 1.00 0.00 H new ATOM 0 HE1 PHE A 39 6.086 9.653 -2.467 1.00 0.00 H new ATOM 0 HE2 PHE A 39 7.329 7.128 0.736 1.00 0.00 H new ATOM 0 HZ PHE A 39 7.886 8.653 -1.116 1.00 0.00 H new ATOM 562 N PHE A 40 0.012 7.877 -1.209 1.00 0.00 N ATOM 563 CA PHE A 40 -0.945 7.872 -2.311 1.00 0.00 C ATOM 564 C PHE A 40 -1.992 8.977 -2.165 1.00 0.00 C ATOM 565 O PHE A 40 -2.153 9.816 -3.058 1.00 0.00 O ATOM 566 CB PHE A 40 -1.639 6.517 -2.395 1.00 0.00 C ATOM 567 CG PHE A 40 -0.771 5.434 -2.962 1.00 0.00 C ATOM 568 CD1 PHE A 40 -0.319 5.513 -4.268 1.00 0.00 C ATOM 569 CD2 PHE A 40 -0.405 4.342 -2.194 1.00 0.00 C ATOM 570 CE1 PHE A 40 0.482 4.522 -4.800 1.00 0.00 C ATOM 571 CE2 PHE A 40 0.396 3.346 -2.720 1.00 0.00 C ATOM 572 CZ PHE A 40 0.841 3.437 -4.025 1.00 0.00 C ATOM 0 H PHE A 40 -0.090 7.103 -0.552 1.00 0.00 H new ATOM 0 HA PHE A 40 -0.387 8.060 -3.228 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -1.967 6.224 -1.398 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -2.534 6.614 -3.010 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -0.596 6.360 -4.878 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -0.749 4.268 -1.173 1.00 0.00 H new ATOM 0 HE1 PHE A 40 0.827 4.595 -5.821 1.00 0.00 H new ATOM 0 HE2 PHE A 40 0.674 2.498 -2.112 1.00 0.00 H new ATOM 0 HZ PHE A 40 1.468 2.661 -4.438 1.00 0.00 H new ATOM 582 N THR A 41 -2.693 8.995 -1.036 1.00 0.00 N ATOM 583 CA THR A 41 -3.710 10.016 -0.800 1.00 0.00 C ATOM 584 C THR A 41 -3.143 11.403 -1.049 1.00 0.00 C ATOM 585 O THR A 41 -3.688 12.170 -1.842 1.00 0.00 O ATOM 586 CB THR A 41 -4.291 9.943 0.625 1.00 0.00 C ATOM 587 OG1 THR A 41 -5.302 8.931 0.680 1.00 0.00 O ATOM 588 CG2 THR A 41 -4.880 11.283 1.042 1.00 0.00 C ATOM 0 H THR A 41 -2.579 8.323 -0.277 1.00 0.00 H new ATOM 0 HA THR A 41 -4.521 9.821 -1.502 1.00 0.00 H new ATOM 0 HB THR A 41 -3.485 9.694 1.315 1.00 0.00 H new ATOM 0 HG1 THR A 41 -5.684 8.802 -0.213 1.00 0.00 H new ATOM 0 HG21 THR A 41 -5.283 11.205 2.052 1.00 0.00 H new ATOM 0 HG22 THR A 41 -4.101 12.045 1.021 1.00 0.00 H new ATOM 0 HG23 THR A 41 -5.678 11.560 0.353 1.00 0.00 H new ATOM 596 N LYS A 42 -2.026 11.708 -0.409 1.00 0.00 N ATOM 597 CA LYS A 42 -1.375 12.995 -0.610 1.00 0.00 C ATOM 598 C LYS A 42 -1.390 13.340 -2.087 1.00 0.00 C ATOM 599 O LYS A 42 -1.661 14.470 -2.483 1.00 0.00 O ATOM 600 CB LYS A 42 0.082 12.939 -0.153 1.00 0.00 C ATOM 601 CG LYS A 42 0.284 12.981 1.350 1.00 0.00 C ATOM 602 CD LYS A 42 1.754 12.806 1.705 1.00 0.00 C ATOM 603 CE LYS A 42 2.609 13.934 1.142 1.00 0.00 C ATOM 604 NZ LYS A 42 2.507 14.033 -0.342 1.00 0.00 N ATOM 0 H LYS A 42 -1.553 11.089 0.249 1.00 0.00 H new ATOM 0 HA LYS A 42 -1.912 13.745 -0.029 1.00 0.00 H new ATOM 0 HB2 LYS A 42 0.534 12.026 -0.540 1.00 0.00 H new ATOM 0 HB3 LYS A 42 0.620 13.775 -0.600 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -0.079 13.931 1.743 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -0.305 12.194 1.822 1.00 0.00 H new ATOM 0 HD2 LYS A 42 1.865 12.772 2.789 1.00 0.00 H new ATOM 0 HD3 LYS A 42 2.110 11.851 1.318 1.00 0.00 H new ATOM 0 HE2 LYS A 42 2.301 14.879 1.589 1.00 0.00 H new ATOM 0 HE3 LYS A 42 3.650 13.773 1.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 3.411 14.371 -0.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 2.288 13.097 -0.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 1.751 14.701 -0.594 1.00 0.00 H new ATOM 618 N SER A 43 -1.085 12.338 -2.893 1.00 0.00 N ATOM 619 CA SER A 43 -1.051 12.500 -4.335 1.00 0.00 C ATOM 620 C SER A 43 -2.409 12.945 -4.864 1.00 0.00 C ATOM 621 O SER A 43 -2.484 13.799 -5.745 1.00 0.00 O ATOM 622 CB SER A 43 -0.619 11.195 -5.005 1.00 0.00 C ATOM 623 OG SER A 43 0.672 10.799 -4.565 1.00 0.00 O ATOM 0 H SER A 43 -0.856 11.398 -2.570 1.00 0.00 H new ATOM 0 HA SER A 43 -0.323 13.275 -4.575 1.00 0.00 H new ATOM 0 HB2 SER A 43 -1.341 10.410 -4.779 1.00 0.00 H new ATOM 0 HB3 SER A 43 -0.615 11.322 -6.088 1.00 0.00 H new ATOM 0 HG SER A 43 0.619 10.483 -3.639 1.00 0.00 H new ATOM 629 N LYS A 44 -3.479 12.373 -4.308 1.00 0.00 N ATOM 630 CA LYS A 44 -4.841 12.729 -4.721 1.00 0.00 C ATOM 631 C LYS A 44 -5.845 11.607 -4.449 1.00 0.00 C ATOM 632 O LYS A 44 -6.971 11.860 -4.024 1.00 0.00 O ATOM 633 CB LYS A 44 -4.870 13.077 -6.207 1.00 0.00 C ATOM 634 CG LYS A 44 -5.390 14.474 -6.489 1.00 0.00 C ATOM 635 CD LYS A 44 -6.852 14.453 -6.893 1.00 0.00 C ATOM 636 CE LYS A 44 -7.057 13.681 -8.186 1.00 0.00 C ATOM 637 NZ LYS A 44 -8.464 13.762 -8.662 1.00 0.00 N ATOM 0 H LYS A 44 -3.431 11.665 -3.575 1.00 0.00 H new ATOM 0 HA LYS A 44 -5.134 13.594 -4.126 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -3.863 12.983 -6.614 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -5.494 12.353 -6.730 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -5.266 15.095 -5.602 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -4.799 14.930 -7.283 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -7.444 13.999 -6.098 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -7.212 15.474 -7.016 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -6.391 14.075 -8.954 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -6.785 12.637 -8.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -8.563 13.223 -9.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -9.098 13.363 -7.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -8.716 14.756 -8.833 1.00 0.00 H new ATOM 651 N LEU A 45 -5.450 10.372 -4.731 1.00 0.00 N ATOM 652 CA LEU A 45 -6.337 9.223 -4.545 1.00 0.00 C ATOM 653 C LEU A 45 -6.794 9.041 -3.094 1.00 0.00 C ATOM 654 O LEU A 45 -5.989 8.963 -2.166 1.00 0.00 O ATOM 655 CB LEU A 45 -5.663 7.950 -5.046 1.00 0.00 C ATOM 656 CG LEU A 45 -5.932 7.624 -6.513 1.00 0.00 C ATOM 657 CD1 LEU A 45 -7.409 7.328 -6.718 1.00 0.00 C ATOM 658 CD2 LEU A 45 -5.491 8.774 -7.407 1.00 0.00 C ATOM 0 H LEU A 45 -4.524 10.137 -5.089 1.00 0.00 H new ATOM 0 HA LEU A 45 -7.233 9.424 -5.132 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -4.587 8.042 -4.899 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -5.997 7.112 -4.434 1.00 0.00 H new ATOM 0 HG LEU A 45 -5.355 6.740 -6.785 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -7.591 7.097 -7.767 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -7.698 6.476 -6.103 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -7.998 8.199 -6.431 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.691 8.522 -8.449 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -6.042 9.675 -7.139 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.423 8.949 -7.275 1.00 0.00 H new ATOM 670 N PRO A 46 -8.116 8.953 -2.899 1.00 0.00 N ATOM 671 CA PRO A 46 -8.726 8.768 -1.577 1.00 0.00 C ATOM 672 C PRO A 46 -8.592 7.336 -1.039 1.00 0.00 C ATOM 673 O PRO A 46 -8.379 6.386 -1.794 1.00 0.00 O ATOM 674 CB PRO A 46 -10.196 9.102 -1.830 1.00 0.00 C ATOM 675 CG PRO A 46 -10.421 8.735 -3.255 1.00 0.00 C ATOM 676 CD PRO A 46 -9.127 9.024 -3.968 1.00 0.00 C ATOM 0 HA PRO A 46 -8.242 9.388 -0.822 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -10.851 8.538 -1.166 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -10.399 10.159 -1.655 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -10.692 7.683 -3.349 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -11.240 9.314 -3.682 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -8.931 8.294 -4.754 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -9.141 10.006 -4.441 1.00 0.00 H new ATOM 684 N ILE A 47 -8.729 7.198 0.276 1.00 0.00 N ATOM 685 CA ILE A 47 -8.633 5.896 0.947 1.00 0.00 C ATOM 686 C ILE A 47 -9.421 4.806 0.208 1.00 0.00 C ATOM 687 O ILE A 47 -9.046 3.633 0.223 1.00 0.00 O ATOM 688 CB ILE A 47 -9.176 5.957 2.390 1.00 0.00 C ATOM 689 CG1 ILE A 47 -8.467 7.034 3.217 1.00 0.00 C ATOM 690 CG2 ILE A 47 -9.040 4.597 3.056 1.00 0.00 C ATOM 691 CD1 ILE A 47 -8.835 8.449 2.825 1.00 0.00 C ATOM 0 H ILE A 47 -8.909 7.978 0.908 1.00 0.00 H new ATOM 0 HA ILE A 47 -7.571 5.649 0.951 1.00 0.00 H new ATOM 0 HB ILE A 47 -10.231 6.226 2.340 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -8.706 6.885 4.270 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -7.389 6.907 3.113 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -9.426 4.650 4.074 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -9.607 3.857 2.491 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -7.989 4.307 3.081 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -8.293 9.154 3.455 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -8.571 8.618 1.781 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -9.907 8.596 2.956 1.00 0.00 H new ATOM 703 N LEU A 48 -10.527 5.201 -0.416 1.00 0.00 N ATOM 704 CA LEU A 48 -11.391 4.269 -1.145 1.00 0.00 C ATOM 705 C LEU A 48 -10.561 3.355 -2.046 1.00 0.00 C ATOM 706 O LEU A 48 -10.208 2.234 -1.666 1.00 0.00 O ATOM 707 CB LEU A 48 -12.384 5.061 -1.994 1.00 0.00 C ATOM 708 CG LEU A 48 -13.866 4.849 -1.672 1.00 0.00 C ATOM 709 CD1 LEU A 48 -14.244 3.381 -1.777 1.00 0.00 C ATOM 710 CD2 LEU A 48 -14.200 5.395 -0.292 1.00 0.00 C ATOM 0 H LEU A 48 -10.851 6.168 -0.433 1.00 0.00 H new ATOM 0 HA LEU A 48 -11.927 3.651 -0.425 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -12.158 6.122 -1.886 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -12.221 4.805 -3.041 1.00 0.00 H new ATOM 0 HG LEU A 48 -14.452 5.399 -2.408 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -15.302 3.260 -1.543 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -14.054 3.028 -2.791 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -13.648 2.801 -1.073 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -15.258 5.234 -0.083 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -13.600 4.880 0.458 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -13.982 6.463 -0.261 1.00 0.00 H new ATOM 722 N GLU A 49 -10.227 3.840 -3.234 1.00 0.00 N ATOM 723 CA GLU A 49 -9.416 3.062 -4.154 1.00 0.00 C ATOM 724 C GLU A 49 -8.212 2.486 -3.416 1.00 0.00 C ATOM 725 O GLU A 49 -7.916 1.302 -3.516 1.00 0.00 O ATOM 726 CB GLU A 49 -8.943 3.938 -5.314 1.00 0.00 C ATOM 727 CG GLU A 49 -9.627 3.654 -6.644 1.00 0.00 C ATOM 728 CD GLU A 49 -11.130 3.862 -6.615 1.00 0.00 C ATOM 729 OE1 GLU A 49 -11.578 4.882 -6.053 1.00 0.00 O ATOM 730 OE2 GLU A 49 -11.854 3.035 -7.211 1.00 0.00 O ATOM 0 H GLU A 49 -10.503 4.759 -3.579 1.00 0.00 H new ATOM 0 HA GLU A 49 -10.019 2.247 -4.554 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -9.107 4.983 -5.052 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -7.868 3.805 -5.438 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -9.195 4.299 -7.409 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -9.417 2.626 -6.938 1.00 0.00 H new ATOM 737 N LEU A 50 -7.537 3.328 -2.645 1.00 0.00 N ATOM 738 CA LEU A 50 -6.383 2.887 -1.870 1.00 0.00 C ATOM 739 C LEU A 50 -6.670 1.540 -1.197 1.00 0.00 C ATOM 740 O LEU A 50 -5.852 0.622 -1.235 1.00 0.00 O ATOM 741 CB LEU A 50 -6.023 3.939 -0.812 1.00 0.00 C ATOM 742 CG LEU A 50 -4.997 4.992 -1.247 1.00 0.00 C ATOM 743 CD1 LEU A 50 -3.650 4.342 -1.524 1.00 0.00 C ATOM 744 CD2 LEU A 50 -5.486 5.756 -2.469 1.00 0.00 C ATOM 0 H LEU A 50 -7.766 4.316 -2.539 1.00 0.00 H new ATOM 0 HA LEU A 50 -5.538 2.763 -2.548 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -6.936 4.451 -0.509 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -5.638 3.425 0.069 1.00 0.00 H new ATOM 0 HG LEU A 50 -4.875 5.704 -0.431 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -2.934 5.105 -1.831 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.290 3.850 -0.620 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -3.759 3.605 -2.319 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -4.740 6.497 -2.757 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -5.645 5.061 -3.293 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -6.424 6.258 -2.233 1.00 0.00 H new ATOM 756 N SER A 51 -7.841 1.436 -0.583 1.00 0.00 N ATOM 757 CA SER A 51 -8.245 0.213 0.104 1.00 0.00 C ATOM 758 C SER A 51 -8.458 -0.943 -0.876 1.00 0.00 C ATOM 759 O SER A 51 -7.937 -2.038 -0.676 1.00 0.00 O ATOM 760 CB SER A 51 -9.524 0.459 0.908 1.00 0.00 C ATOM 761 OG SER A 51 -9.351 1.528 1.828 1.00 0.00 O ATOM 0 H SER A 51 -8.531 2.186 -0.546 1.00 0.00 H new ATOM 0 HA SER A 51 -7.438 -0.068 0.781 1.00 0.00 H new ATOM 0 HB2 SER A 51 -10.346 0.688 0.229 1.00 0.00 H new ATOM 0 HB3 SER A 51 -9.799 -0.448 1.447 1.00 0.00 H new ATOM 0 HG SER A 51 -9.116 2.345 1.340 1.00 0.00 H new ATOM 767 N HIS A 52 -9.221 -0.706 -1.939 1.00 0.00 N ATOM 768 CA HIS A 52 -9.478 -1.760 -2.925 1.00 0.00 C ATOM 769 C HIS A 52 -8.179 -2.197 -3.605 1.00 0.00 C ATOM 770 O HIS A 52 -7.956 -3.385 -3.852 1.00 0.00 O ATOM 771 CB HIS A 52 -10.492 -1.303 -3.979 1.00 0.00 C ATOM 772 CG HIS A 52 -10.965 -2.421 -4.858 1.00 0.00 C ATOM 773 ND1 HIS A 52 -11.579 -3.560 -4.382 1.00 0.00 N ATOM 774 CD2 HIS A 52 -10.894 -2.571 -6.205 1.00 0.00 C ATOM 775 CE1 HIS A 52 -11.847 -4.351 -5.428 1.00 0.00 C ATOM 776 NE2 HIS A 52 -11.454 -3.798 -6.558 1.00 0.00 N ATOM 0 H HIS A 52 -9.667 0.189 -2.141 1.00 0.00 H new ATOM 0 HA HIS A 52 -9.900 -2.611 -2.390 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -11.350 -0.853 -3.479 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -10.041 -0.527 -4.598 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -10.471 -1.854 -6.893 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -12.324 -5.317 -5.355 1.00 0.00 H new ATOM 0 HE2 HIS A 52 -11.541 -4.187 -7.497 1.00 0.00 H new ATOM 784 N ILE A 53 -7.325 -1.227 -3.900 1.00 0.00 N ATOM 785 CA ILE A 53 -6.046 -1.494 -4.548 1.00 0.00 C ATOM 786 C ILE A 53 -5.088 -2.258 -3.634 1.00 0.00 C ATOM 787 O ILE A 53 -4.560 -3.300 -4.020 1.00 0.00 O ATOM 788 CB ILE A 53 -5.369 -0.188 -5.006 1.00 0.00 C ATOM 789 CG1 ILE A 53 -6.237 0.515 -6.050 1.00 0.00 C ATOM 790 CG2 ILE A 53 -3.981 -0.473 -5.567 1.00 0.00 C ATOM 791 CD1 ILE A 53 -6.472 -0.316 -7.293 1.00 0.00 C ATOM 0 H ILE A 53 -7.495 -0.241 -3.700 1.00 0.00 H new ATOM 0 HA ILE A 53 -6.267 -2.114 -5.417 1.00 0.00 H new ATOM 0 HB ILE A 53 -5.259 0.470 -4.144 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -7.199 0.766 -5.603 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -5.762 1.454 -6.334 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -3.518 0.461 -5.885 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -3.366 -0.939 -4.797 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -4.065 -1.146 -6.421 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -7.095 0.242 -7.992 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -5.516 -0.546 -7.763 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -6.975 -1.244 -7.021 1.00 0.00 H new ATOM 803 N TRP A 54 -4.861 -1.746 -2.422 1.00 0.00 N ATOM 804 CA TRP A 54 -3.953 -2.403 -1.482 1.00 0.00 C ATOM 805 C TRP A 54 -4.190 -3.903 -1.458 1.00 0.00 C ATOM 806 O TRP A 54 -3.279 -4.693 -1.700 1.00 0.00 O ATOM 807 CB TRP A 54 -4.143 -1.856 -0.069 1.00 0.00 C ATOM 808 CG TRP A 54 -3.257 -2.535 0.931 1.00 0.00 C ATOM 809 CD1 TRP A 54 -3.544 -3.666 1.639 1.00 0.00 C ATOM 810 CD2 TRP A 54 -1.946 -2.127 1.344 1.00 0.00 C ATOM 811 NE1 TRP A 54 -2.487 -3.994 2.452 1.00 0.00 N ATOM 812 CE2 TRP A 54 -1.497 -3.062 2.295 1.00 0.00 C ATOM 813 CE3 TRP A 54 -1.106 -1.063 0.999 1.00 0.00 C ATOM 814 CZ2 TRP A 54 -0.249 -2.966 2.905 1.00 0.00 C ATOM 815 CZ3 TRP A 54 0.133 -0.967 1.607 1.00 0.00 C ATOM 816 CH2 TRP A 54 0.551 -1.913 2.549 1.00 0.00 C ATOM 0 H TRP A 54 -5.288 -0.888 -2.072 1.00 0.00 H new ATOM 0 HA TRP A 54 -2.936 -2.200 -1.819 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -3.936 -0.786 -0.066 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -5.184 -1.980 0.229 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -4.467 -4.222 1.570 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -2.446 -4.802 3.073 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -1.419 -0.329 0.271 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 0.076 -3.695 3.632 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 0.788 -0.148 1.350 1.00 0.00 H new ATOM 0 HH2 TRP A 54 1.525 -1.811 3.005 1.00 0.00 H new ATOM 827 N GLU A 55 -5.424 -4.295 -1.180 1.00 0.00 N ATOM 828 CA GLU A 55 -5.765 -5.711 -1.138 1.00 0.00 C ATOM 829 C GLU A 55 -5.278 -6.400 -2.413 1.00 0.00 C ATOM 830 O GLU A 55 -4.506 -7.359 -2.357 1.00 0.00 O ATOM 831 CB GLU A 55 -7.278 -5.893 -0.963 1.00 0.00 C ATOM 832 CG GLU A 55 -7.692 -6.456 0.393 1.00 0.00 C ATOM 833 CD GLU A 55 -7.131 -5.689 1.567 1.00 0.00 C ATOM 834 OE1 GLU A 55 -7.437 -4.488 1.720 1.00 0.00 O ATOM 835 OE2 GLU A 55 -6.400 -6.306 2.359 1.00 0.00 O ATOM 0 H GLU A 55 -6.199 -3.662 -0.982 1.00 0.00 H new ATOM 0 HA GLU A 55 -5.270 -6.171 -0.283 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -7.767 -4.929 -1.107 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -7.645 -6.557 -1.746 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -8.780 -6.458 0.459 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -7.367 -7.494 0.460 1.00 0.00 H new ATOM 842 N LEU A 56 -5.698 -5.881 -3.567 1.00 0.00 N ATOM 843 CA LEU A 56 -5.273 -6.432 -4.853 1.00 0.00 C ATOM 844 C LEU A 56 -3.754 -6.604 -4.891 1.00 0.00 C ATOM 845 O LEU A 56 -3.237 -7.631 -5.333 1.00 0.00 O ATOM 846 CB LEU A 56 -5.725 -5.508 -5.994 1.00 0.00 C ATOM 847 CG LEU A 56 -7.240 -5.377 -6.144 1.00 0.00 C ATOM 848 CD1 LEU A 56 -7.600 -4.284 -7.141 1.00 0.00 C ATOM 849 CD2 LEU A 56 -7.831 -6.705 -6.583 1.00 0.00 C ATOM 0 H LEU A 56 -6.330 -5.083 -3.637 1.00 0.00 H new ATOM 0 HA LEU A 56 -5.735 -7.411 -4.980 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -5.302 -4.517 -5.830 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -5.311 -5.880 -6.931 1.00 0.00 H new ATOM 0 HG LEU A 56 -7.658 -5.100 -5.177 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -8.684 -4.213 -7.228 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -7.201 -3.330 -6.796 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -7.173 -4.525 -8.115 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -8.911 -6.605 -6.688 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -7.399 -6.997 -7.540 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -7.608 -7.467 -5.836 1.00 0.00 H new ATOM 861 N SER A 57 -3.045 -5.584 -4.430 1.00 0.00 N ATOM 862 CA SER A 57 -1.585 -5.601 -4.410 1.00 0.00 C ATOM 863 C SER A 57 -1.025 -6.521 -3.319 1.00 0.00 C ATOM 864 O SER A 57 0.118 -6.967 -3.412 1.00 0.00 O ATOM 865 CB SER A 57 -1.049 -4.183 -4.236 1.00 0.00 C ATOM 866 OG SER A 57 -1.303 -3.394 -5.391 1.00 0.00 O ATOM 0 H SER A 57 -3.458 -4.727 -4.062 1.00 0.00 H new ATOM 0 HA SER A 57 -1.251 -6.003 -5.367 1.00 0.00 H new ATOM 0 HB2 SER A 57 -1.514 -3.720 -3.366 1.00 0.00 H new ATOM 0 HB3 SER A 57 0.023 -4.217 -4.044 1.00 0.00 H new ATOM 0 HG SER A 57 -1.569 -2.491 -5.118 1.00 0.00 H new ATOM 872 N ASP A 58 -1.823 -6.817 -2.295 1.00 0.00 N ATOM 873 CA ASP A 58 -1.366 -7.697 -1.214 1.00 0.00 C ATOM 874 C ASP A 58 -1.833 -9.125 -1.462 1.00 0.00 C ATOM 875 O ASP A 58 -2.477 -9.745 -0.615 1.00 0.00 O ATOM 876 CB ASP A 58 -1.871 -7.229 0.152 1.00 0.00 C ATOM 877 CG ASP A 58 -0.945 -7.673 1.268 1.00 0.00 C ATOM 878 OD1 ASP A 58 0.161 -7.119 1.361 1.00 0.00 O ATOM 879 OD2 ASP A 58 -1.297 -8.593 2.031 1.00 0.00 O ATOM 0 H ASP A 58 -2.776 -6.468 -2.188 1.00 0.00 H new ATOM 0 HA ASP A 58 -0.277 -7.660 -1.206 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -1.954 -6.142 0.158 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -2.871 -7.626 0.327 1.00 0.00 H new ATOM 884 N PHE A 59 -1.507 -9.648 -2.633 1.00 0.00 N ATOM 885 CA PHE A 59 -1.892 -11.006 -2.995 1.00 0.00 C ATOM 886 C PHE A 59 -1.500 -12.010 -1.907 1.00 0.00 C ATOM 887 O PHE A 59 -1.925 -13.164 -1.936 1.00 0.00 O ATOM 888 CB PHE A 59 -1.244 -11.411 -4.319 1.00 0.00 C ATOM 889 CG PHE A 59 -1.730 -10.624 -5.505 1.00 0.00 C ATOM 890 CD1 PHE A 59 -3.048 -10.715 -5.922 1.00 0.00 C ATOM 891 CD2 PHE A 59 -0.865 -9.800 -6.208 1.00 0.00 C ATOM 892 CE1 PHE A 59 -3.495 -10.000 -7.016 1.00 0.00 C ATOM 893 CE2 PHE A 59 -1.306 -9.084 -7.306 1.00 0.00 C ATOM 894 CZ PHE A 59 -2.622 -9.185 -7.710 1.00 0.00 C ATOM 0 H PHE A 59 -0.976 -9.154 -3.351 1.00 0.00 H new ATOM 0 HA PHE A 59 -2.977 -11.019 -3.102 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -0.164 -11.291 -4.235 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -1.434 -12.470 -4.496 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -3.734 -11.353 -5.385 1.00 0.00 H new ATOM 0 HD2 PHE A 59 0.165 -9.716 -5.895 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -4.526 -10.078 -7.328 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -0.622 -8.447 -7.847 1.00 0.00 H new ATOM 0 HZ PHE A 59 -2.969 -8.628 -8.568 1.00 0.00 H new ATOM 904 N ASP A 60 -0.685 -11.570 -0.961 1.00 0.00 N ATOM 905 CA ASP A 60 -0.220 -12.438 0.114 1.00 0.00 C ATOM 906 C ASP A 60 -1.048 -12.283 1.396 1.00 0.00 C ATOM 907 O ASP A 60 -1.252 -13.256 2.121 1.00 0.00 O ATOM 908 CB ASP A 60 1.240 -12.117 0.393 1.00 0.00 C ATOM 909 CG ASP A 60 1.421 -10.655 0.728 1.00 0.00 C ATOM 910 OD1 ASP A 60 0.722 -9.814 0.130 1.00 0.00 O ATOM 911 OD2 ASP A 60 2.271 -10.320 1.568 1.00 0.00 O ATOM 0 H ASP A 60 -0.330 -10.615 -0.914 1.00 0.00 H new ATOM 0 HA ASP A 60 -0.336 -13.473 -0.207 1.00 0.00 H new ATOM 0 HB2 ASP A 60 1.599 -12.730 1.220 1.00 0.00 H new ATOM 0 HB3 ASP A 60 1.844 -12.371 -0.478 1.00 0.00 H new ATOM 916 N LYS A 61 -1.512 -11.070 1.685 1.00 0.00 N ATOM 917 CA LYS A 61 -2.297 -10.826 2.897 1.00 0.00 C ATOM 918 C LYS A 61 -1.410 -10.839 4.133 1.00 0.00 C ATOM 919 O LYS A 61 -1.561 -11.685 5.013 1.00 0.00 O ATOM 920 CB LYS A 61 -3.418 -11.856 3.042 1.00 0.00 C ATOM 921 CG LYS A 61 -4.765 -11.335 2.586 1.00 0.00 C ATOM 922 CD LYS A 61 -4.713 -10.847 1.151 1.00 0.00 C ATOM 923 CE LYS A 61 -4.220 -11.931 0.205 1.00 0.00 C ATOM 924 NZ LYS A 61 -4.315 -11.505 -1.216 1.00 0.00 N ATOM 0 H LYS A 61 -1.361 -10.246 1.104 1.00 0.00 H new ATOM 0 HA LYS A 61 -2.747 -9.837 2.804 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -3.164 -12.745 2.464 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -3.488 -12.164 4.085 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -5.512 -12.124 2.677 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -5.081 -10.520 3.238 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -5.705 -10.519 0.842 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -4.056 -9.980 1.085 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -3.185 -12.178 0.442 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -4.807 -12.838 0.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -3.939 -12.256 -1.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -5.310 -11.326 -1.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -3.762 -10.635 -1.355 1.00 0.00 H new ATOM 938 N ASP A 62 -0.476 -9.900 4.189 1.00 0.00 N ATOM 939 CA ASP A 62 0.439 -9.818 5.320 1.00 0.00 C ATOM 940 C ASP A 62 0.300 -8.489 6.050 1.00 0.00 C ATOM 941 O ASP A 62 0.067 -8.448 7.256 1.00 0.00 O ATOM 942 CB ASP A 62 1.875 -9.984 4.837 1.00 0.00 C ATOM 943 CG ASP A 62 2.427 -8.702 4.250 1.00 0.00 C ATOM 944 OD1 ASP A 62 1.839 -8.198 3.264 1.00 0.00 O ATOM 945 OD2 ASP A 62 3.416 -8.169 4.793 1.00 0.00 O ATOM 0 H ASP A 62 -0.332 -9.190 3.471 1.00 0.00 H new ATOM 0 HA ASP A 62 0.187 -10.619 6.015 1.00 0.00 H new ATOM 0 HB2 ASP A 62 2.503 -10.302 5.669 1.00 0.00 H new ATOM 0 HB3 ASP A 62 1.916 -10.774 4.087 1.00 0.00 H new ATOM 950 N GLY A 63 0.460 -7.399 5.315 1.00 0.00 N ATOM 951 CA GLY A 63 0.358 -6.090 5.926 1.00 0.00 C ATOM 952 C GLY A 63 1.308 -5.087 5.314 1.00 0.00 C ATOM 953 O GLY A 63 1.113 -3.872 5.435 1.00 0.00 O ATOM 0 H GLY A 63 0.657 -7.396 4.314 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -0.664 -5.725 5.825 1.00 0.00 H new ATOM 0 HA3 GLY A 63 0.563 -6.174 6.993 1.00 0.00 H new ATOM 957 N ALA A 64 2.350 -5.589 4.664 1.00 0.00 N ATOM 958 CA ALA A 64 3.334 -4.718 4.045 1.00 0.00 C ATOM 959 C ALA A 64 3.476 -4.987 2.543 1.00 0.00 C ATOM 960 O ALA A 64 3.316 -6.117 2.072 1.00 0.00 O ATOM 961 CB ALA A 64 4.676 -4.871 4.746 1.00 0.00 C ATOM 0 H ALA A 64 2.533 -6.586 4.553 1.00 0.00 H new ATOM 0 HA ALA A 64 2.986 -3.691 4.154 1.00 0.00 H new ATOM 0 HB1 ALA A 64 5.409 -4.215 4.276 1.00 0.00 H new ATOM 0 HB2 ALA A 64 4.570 -4.603 5.797 1.00 0.00 H new ATOM 0 HB3 ALA A 64 5.012 -5.905 4.667 1.00 0.00 H new ATOM 967 N LEU A 65 3.776 -3.930 1.802 1.00 0.00 N ATOM 968 CA LEU A 65 3.954 -4.024 0.360 1.00 0.00 C ATOM 969 C LEU A 65 5.429 -4.018 -0.022 1.00 0.00 C ATOM 970 O LEU A 65 6.144 -3.046 0.215 1.00 0.00 O ATOM 971 CB LEU A 65 3.252 -2.860 -0.343 1.00 0.00 C ATOM 972 CG LEU A 65 1.887 -3.193 -0.940 1.00 0.00 C ATOM 973 CD1 LEU A 65 1.025 -3.900 0.080 1.00 0.00 C ATOM 974 CD2 LEU A 65 1.200 -1.931 -1.433 1.00 0.00 C ATOM 0 H LEU A 65 3.902 -2.991 2.179 1.00 0.00 H new ATOM 0 HA LEU A 65 3.513 -4.968 0.041 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.130 -2.045 0.371 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.900 -2.493 -1.139 1.00 0.00 H new ATOM 0 HG LEU A 65 2.034 -3.859 -1.790 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.055 -4.131 -0.361 1.00 0.00 H new ATOM 0 HD12 LEU A 65 1.512 -4.825 0.390 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.885 -3.255 0.948 1.00 0.00 H new ATOM 0 HD21 LEU A 65 0.228 -2.187 -1.855 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.063 -1.242 -0.600 1.00 0.00 H new ATOM 0 HD23 LEU A 65 1.815 -1.457 -2.198 1.00 0.00 H new ATOM 986 N THR A 66 5.864 -5.091 -0.648 1.00 0.00 N ATOM 987 CA THR A 66 7.235 -5.211 -1.108 1.00 0.00 C ATOM 988 C THR A 66 7.447 -4.345 -2.345 1.00 0.00 C ATOM 989 O THR A 66 6.493 -4.039 -3.056 1.00 0.00 O ATOM 990 CB THR A 66 7.570 -6.666 -1.461 1.00 0.00 C ATOM 991 OG1 THR A 66 8.867 -6.736 -2.058 1.00 0.00 O ATOM 992 CG2 THR A 66 6.531 -7.236 -2.413 1.00 0.00 C ATOM 0 H THR A 66 5.281 -5.903 -0.853 1.00 0.00 H new ATOM 0 HA THR A 66 7.889 -4.880 -0.302 1.00 0.00 H new ATOM 0 HB THR A 66 7.564 -7.256 -0.545 1.00 0.00 H new ATOM 0 HG1 THR A 66 9.075 -7.668 -2.279 1.00 0.00 H new ATOM 0 HG21 THR A 66 6.785 -8.269 -2.653 1.00 0.00 H new ATOM 0 HG22 THR A 66 5.549 -7.204 -1.941 1.00 0.00 H new ATOM 0 HG23 THR A 66 6.513 -6.645 -3.329 1.00 0.00 H new ATOM 1000 N LEU A 67 8.682 -3.951 -2.618 1.00 0.00 N ATOM 1001 CA LEU A 67 8.954 -3.121 -3.788 1.00 0.00 C ATOM 1002 C LEU A 67 8.129 -3.611 -4.984 1.00 0.00 C ATOM 1003 O LEU A 67 7.605 -2.812 -5.764 1.00 0.00 O ATOM 1004 CB LEU A 67 10.443 -3.145 -4.122 1.00 0.00 C ATOM 1005 CG LEU A 67 11.083 -1.771 -4.337 1.00 0.00 C ATOM 1006 CD1 LEU A 67 12.576 -1.906 -4.580 1.00 0.00 C ATOM 1007 CD2 LEU A 67 10.430 -1.051 -5.505 1.00 0.00 C ATOM 0 H LEU A 67 9.501 -4.186 -2.058 1.00 0.00 H new ATOM 0 HA LEU A 67 8.668 -2.093 -3.563 1.00 0.00 H new ATOM 0 HB2 LEU A 67 10.972 -3.653 -3.316 1.00 0.00 H new ATOM 0 HB3 LEU A 67 10.588 -3.741 -5.023 1.00 0.00 H new ATOM 0 HG LEU A 67 10.928 -1.183 -3.433 1.00 0.00 H new ATOM 0 HD11 LEU A 67 13.011 -0.918 -4.730 1.00 0.00 H new ATOM 0 HD12 LEU A 67 13.044 -2.381 -3.717 1.00 0.00 H new ATOM 0 HD13 LEU A 67 12.747 -2.516 -5.467 1.00 0.00 H new ATOM 0 HD21 LEU A 67 10.900 -0.077 -5.640 1.00 0.00 H new ATOM 0 HD22 LEU A 67 10.554 -1.643 -6.412 1.00 0.00 H new ATOM 0 HD23 LEU A 67 9.368 -0.916 -5.301 1.00 0.00 H new ATOM 1019 N ASP A 68 7.973 -4.932 -5.098 1.00 0.00 N ATOM 1020 CA ASP A 68 7.175 -5.518 -6.171 1.00 0.00 C ATOM 1021 C ASP A 68 5.717 -5.086 -6.037 1.00 0.00 C ATOM 1022 O ASP A 68 5.140 -4.490 -6.950 1.00 0.00 O ATOM 1023 CB ASP A 68 7.255 -7.042 -6.112 1.00 0.00 C ATOM 1024 CG ASP A 68 7.777 -7.659 -7.392 1.00 0.00 C ATOM 1025 OD1 ASP A 68 8.258 -6.903 -8.262 1.00 0.00 O ATOM 1026 OD2 ASP A 68 7.707 -8.903 -7.520 1.00 0.00 O ATOM 0 H ASP A 68 8.388 -5.612 -4.461 1.00 0.00 H new ATOM 0 HA ASP A 68 7.570 -5.170 -7.126 1.00 0.00 H new ATOM 0 HB2 ASP A 68 7.902 -7.334 -5.285 1.00 0.00 H new ATOM 0 HB3 ASP A 68 6.264 -7.444 -5.900 1.00 0.00 H new ATOM 1031 N GLU A 69 5.142 -5.353 -4.866 1.00 0.00 N ATOM 1032 CA GLU A 69 3.772 -4.960 -4.582 1.00 0.00 C ATOM 1033 C GLU A 69 3.633 -3.467 -4.854 1.00 0.00 C ATOM 1034 O GLU A 69 2.644 -2.999 -5.421 1.00 0.00 O ATOM 1035 CB GLU A 69 3.416 -5.281 -3.123 1.00 0.00 C ATOM 1036 CG GLU A 69 3.275 -6.773 -2.835 1.00 0.00 C ATOM 1037 CD GLU A 69 3.126 -7.079 -1.345 1.00 0.00 C ATOM 1038 OE1 GLU A 69 4.104 -6.888 -0.606 1.00 0.00 O ATOM 1039 OE2 GLU A 69 2.038 -7.511 -0.903 1.00 0.00 O ATOM 0 H GLU A 69 5.608 -5.841 -4.101 1.00 0.00 H new ATOM 0 HA GLU A 69 3.085 -5.515 -5.221 1.00 0.00 H new ATOM 0 HB2 GLU A 69 4.186 -4.866 -2.472 1.00 0.00 H new ATOM 0 HB3 GLU A 69 2.481 -4.782 -2.869 1.00 0.00 H new ATOM 0 HG2 GLU A 69 2.407 -7.161 -3.369 1.00 0.00 H new ATOM 0 HG3 GLU A 69 4.148 -7.297 -3.223 1.00 0.00 H new ATOM 1046 N PHE A 70 4.668 -2.733 -4.473 1.00 0.00 N ATOM 1047 CA PHE A 70 4.724 -1.298 -4.686 1.00 0.00 C ATOM 1048 C PHE A 70 4.591 -0.983 -6.173 1.00 0.00 C ATOM 1049 O PHE A 70 3.720 -0.219 -6.590 1.00 0.00 O ATOM 1050 CB PHE A 70 6.053 -0.761 -4.145 1.00 0.00 C ATOM 1051 CG PHE A 70 6.407 0.606 -4.639 1.00 0.00 C ATOM 1052 CD1 PHE A 70 5.420 1.524 -4.948 1.00 0.00 C ATOM 1053 CD2 PHE A 70 7.734 0.968 -4.802 1.00 0.00 C ATOM 1054 CE1 PHE A 70 5.748 2.782 -5.409 1.00 0.00 C ATOM 1055 CE2 PHE A 70 8.069 2.224 -5.262 1.00 0.00 C ATOM 1056 CZ PHE A 70 7.075 3.132 -5.567 1.00 0.00 C ATOM 0 H PHE A 70 5.491 -3.117 -4.008 1.00 0.00 H new ATOM 0 HA PHE A 70 3.900 -0.818 -4.158 1.00 0.00 H new ATOM 0 HB2 PHE A 70 6.008 -0.742 -3.056 1.00 0.00 H new ATOM 0 HB3 PHE A 70 6.850 -1.452 -4.419 1.00 0.00 H new ATOM 0 HD1 PHE A 70 4.382 1.253 -4.827 1.00 0.00 H new ATOM 0 HD2 PHE A 70 8.514 0.259 -4.566 1.00 0.00 H new ATOM 0 HE1 PHE A 70 4.969 3.492 -5.646 1.00 0.00 H new ATOM 0 HE2 PHE A 70 9.107 2.497 -5.383 1.00 0.00 H new ATOM 0 HZ PHE A 70 7.335 4.116 -5.929 1.00 0.00 H new ATOM 1066 N CYS A 71 5.448 -1.592 -6.973 1.00 0.00 N ATOM 1067 CA CYS A 71 5.409 -1.386 -8.413 1.00 0.00 C ATOM 1068 C CYS A 71 3.995 -1.597 -8.942 1.00 0.00 C ATOM 1069 O CYS A 71 3.424 -0.723 -9.600 1.00 0.00 O ATOM 1070 CB CYS A 71 6.371 -2.341 -9.122 1.00 0.00 C ATOM 1071 SG CYS A 71 7.661 -1.509 -10.085 1.00 0.00 S ATOM 0 H CYS A 71 6.177 -2.230 -6.654 1.00 0.00 H new ATOM 0 HA CYS A 71 5.717 -0.360 -8.616 1.00 0.00 H new ATOM 0 HB2 CYS A 71 6.844 -2.982 -8.378 1.00 0.00 H new ATOM 0 HB3 CYS A 71 5.799 -2.990 -9.785 1.00 0.00 H new ATOM 0 HG CYS A 71 7.897 -0.337 -9.574 1.00 0.00 H new ATOM 1077 N ALA A 72 3.426 -2.754 -8.646 1.00 0.00 N ATOM 1078 CA ALA A 72 2.079 -3.064 -9.097 1.00 0.00 C ATOM 1079 C ALA A 72 1.085 -2.025 -8.588 1.00 0.00 C ATOM 1080 O ALA A 72 0.285 -1.491 -9.350 1.00 0.00 O ATOM 1081 CB ALA A 72 1.678 -4.458 -8.645 1.00 0.00 C ATOM 0 H ALA A 72 3.872 -3.490 -8.099 1.00 0.00 H new ATOM 0 HA ALA A 72 2.066 -3.037 -10.187 1.00 0.00 H new ATOM 0 HB1 ALA A 72 0.667 -4.676 -8.990 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.370 -5.189 -9.063 1.00 0.00 H new ATOM 0 HB3 ALA A 72 1.709 -4.511 -7.557 1.00 0.00 H new ATOM 1087 N ALA A 73 1.152 -1.731 -7.299 1.00 0.00 N ATOM 1088 CA ALA A 73 0.260 -0.750 -6.699 1.00 0.00 C ATOM 1089 C ALA A 73 0.383 0.608 -7.389 1.00 0.00 C ATOM 1090 O ALA A 73 -0.603 1.178 -7.842 1.00 0.00 O ATOM 1091 CB ALA A 73 0.557 -0.614 -5.216 1.00 0.00 C ATOM 0 H ALA A 73 1.813 -2.156 -6.649 1.00 0.00 H new ATOM 0 HA ALA A 73 -0.764 -1.100 -6.829 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -0.116 0.122 -4.776 1.00 0.00 H new ATOM 0 HB2 ALA A 73 0.411 -1.577 -4.726 1.00 0.00 H new ATOM 0 HB3 ALA A 73 1.589 -0.290 -5.080 1.00 0.00 H new ATOM 1097 N PHE A 74 1.598 1.125 -7.463 1.00 0.00 N ATOM 1098 CA PHE A 74 1.830 2.419 -8.091 1.00 0.00 C ATOM 1099 C PHE A 74 1.302 2.445 -9.523 1.00 0.00 C ATOM 1100 O PHE A 74 0.483 3.293 -9.883 1.00 0.00 O ATOM 1101 CB PHE A 74 3.325 2.737 -8.102 1.00 0.00 C ATOM 1102 CG PHE A 74 3.632 4.111 -8.615 1.00 0.00 C ATOM 1103 CD1 PHE A 74 3.448 5.219 -7.807 1.00 0.00 C ATOM 1104 CD2 PHE A 74 4.111 4.294 -9.901 1.00 0.00 C ATOM 1105 CE1 PHE A 74 3.733 6.487 -8.272 1.00 0.00 C ATOM 1106 CE2 PHE A 74 4.398 5.560 -10.374 1.00 0.00 C ATOM 1107 CZ PHE A 74 4.207 6.659 -9.559 1.00 0.00 C ATOM 0 H PHE A 74 2.437 0.673 -7.099 1.00 0.00 H new ATOM 0 HA PHE A 74 1.295 3.169 -7.509 1.00 0.00 H new ATOM 0 HB2 PHE A 74 3.719 2.637 -7.090 1.00 0.00 H new ATOM 0 HB3 PHE A 74 3.842 2.002 -8.719 1.00 0.00 H new ATOM 0 HD1 PHE A 74 3.077 5.090 -6.801 1.00 0.00 H new ATOM 0 HD2 PHE A 74 4.262 3.438 -10.542 1.00 0.00 H new ATOM 0 HE1 PHE A 74 3.586 7.344 -7.631 1.00 0.00 H new ATOM 0 HE2 PHE A 74 4.771 5.690 -11.379 1.00 0.00 H new ATOM 0 HZ PHE A 74 4.428 7.650 -9.927 1.00 0.00 H new ATOM 1117 N HIS A 75 1.765 1.509 -10.345 1.00 0.00 N ATOM 1118 CA HIS A 75 1.330 1.445 -11.733 1.00 0.00 C ATOM 1119 C HIS A 75 -0.182 1.298 -11.810 1.00 0.00 C ATOM 1120 O HIS A 75 -0.872 2.079 -12.472 1.00 0.00 O ATOM 1121 CB HIS A 75 2.001 0.266 -12.422 1.00 0.00 C ATOM 1122 CG HIS A 75 2.550 0.596 -13.775 1.00 0.00 C ATOM 1123 ND1 HIS A 75 1.770 0.893 -14.870 1.00 0.00 N ATOM 1124 CD2 HIS A 75 3.836 0.682 -14.198 1.00 0.00 C ATOM 1125 CE1 HIS A 75 2.588 1.142 -15.900 1.00 0.00 C ATOM 1126 NE2 HIS A 75 3.852 1.029 -15.544 1.00 0.00 N ATOM 0 H HIS A 75 2.436 0.790 -10.076 1.00 0.00 H new ATOM 0 HA HIS A 75 1.614 2.370 -12.236 1.00 0.00 H new ATOM 0 HB2 HIS A 75 2.810 -0.101 -11.790 1.00 0.00 H new ATOM 0 HB3 HIS A 75 1.280 -0.546 -12.520 1.00 0.00 H new ATOM 0 HD1 HIS A 75 0.751 0.919 -14.892 1.00 0.00 H new ATOM 0 HD2 HIS A 75 4.709 0.508 -13.586 1.00 0.00 H new ATOM 0 HE1 HIS A 75 2.255 1.402 -16.894 1.00 0.00 H new ATOM 1134 N LEU A 76 -0.692 0.294 -11.120 1.00 0.00 N ATOM 1135 CA LEU A 76 -2.117 0.035 -11.088 1.00 0.00 C ATOM 1136 C LEU A 76 -2.889 1.282 -10.651 1.00 0.00 C ATOM 1137 O LEU A 76 -3.834 1.716 -11.316 1.00 0.00 O ATOM 1138 CB LEU A 76 -2.373 -1.106 -10.112 1.00 0.00 C ATOM 1139 CG LEU A 76 -3.435 -2.101 -10.540 1.00 0.00 C ATOM 1140 CD1 LEU A 76 -4.792 -1.424 -10.638 1.00 0.00 C ATOM 1141 CD2 LEU A 76 -3.051 -2.748 -11.862 1.00 0.00 C ATOM 0 H LEU A 76 -0.134 -0.359 -10.571 1.00 0.00 H new ATOM 0 HA LEU A 76 -2.461 -0.235 -12.087 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -1.438 -1.643 -9.954 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -2.663 -0.682 -9.151 1.00 0.00 H new ATOM 0 HG LEU A 76 -3.504 -2.884 -9.785 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -5.541 -2.153 -10.946 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -5.064 -1.013 -9.666 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -4.745 -0.620 -11.372 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -3.822 -3.460 -12.156 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -2.955 -1.979 -12.629 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -2.100 -3.269 -11.749 1.00 0.00 H new ATOM 1153 N VAL A 77 -2.469 1.865 -9.532 1.00 0.00 N ATOM 1154 CA VAL A 77 -3.114 3.066 -9.015 1.00 0.00 C ATOM 1155 C VAL A 77 -3.195 4.130 -10.092 1.00 0.00 C ATOM 1156 O VAL A 77 -4.241 4.746 -10.305 1.00 0.00 O ATOM 1157 CB VAL A 77 -2.377 3.633 -7.785 1.00 0.00 C ATOM 1158 CG1 VAL A 77 -2.931 4.998 -7.412 1.00 0.00 C ATOM 1159 CG2 VAL A 77 -2.493 2.677 -6.608 1.00 0.00 C ATOM 0 H VAL A 77 -1.689 1.527 -8.969 1.00 0.00 H new ATOM 0 HA VAL A 77 -4.119 2.781 -8.705 1.00 0.00 H new ATOM 0 HB VAL A 77 -1.323 3.746 -8.039 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -2.398 5.382 -6.542 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -2.801 5.684 -8.249 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -3.992 4.908 -7.178 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -1.967 3.093 -5.748 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -3.544 2.535 -6.357 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.051 1.717 -6.874 1.00 0.00 H new ATOM 1169 N VAL A 78 -2.092 4.329 -10.791 1.00 0.00 N ATOM 1170 CA VAL A 78 -2.049 5.299 -11.868 1.00 0.00 C ATOM 1171 C VAL A 78 -3.151 5.017 -12.886 1.00 0.00 C ATOM 1172 O VAL A 78 -3.963 5.886 -13.199 1.00 0.00 O ATOM 1173 CB VAL A 78 -0.688 5.261 -12.578 1.00 0.00 C ATOM 1174 CG1 VAL A 78 -0.701 6.157 -13.804 1.00 0.00 C ATOM 1175 CG2 VAL A 78 0.423 5.669 -11.626 1.00 0.00 C ATOM 0 H VAL A 78 -1.216 3.832 -10.632 1.00 0.00 H new ATOM 0 HA VAL A 78 -2.201 6.287 -11.433 1.00 0.00 H new ATOM 0 HB VAL A 78 -0.499 4.238 -12.904 1.00 0.00 H new ATOM 0 HG11 VAL A 78 0.272 6.117 -14.294 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -1.470 5.815 -14.496 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -0.914 7.183 -13.503 1.00 0.00 H new ATOM 0 HG21 VAL A 78 1.380 5.636 -12.148 1.00 0.00 H new ATOM 0 HG22 VAL A 78 0.241 6.682 -11.267 1.00 0.00 H new ATOM 0 HG23 VAL A 78 0.447 4.983 -10.780 1.00 0.00 H new ATOM 1185 N ALA A 79 -3.178 3.794 -13.389 1.00 0.00 N ATOM 1186 CA ALA A 79 -4.181 3.394 -14.370 1.00 0.00 C ATOM 1187 C ALA A 79 -5.600 3.771 -13.926 1.00 0.00 C ATOM 1188 O ALA A 79 -6.379 4.316 -14.709 1.00 0.00 O ATOM 1189 CB ALA A 79 -4.096 1.900 -14.626 1.00 0.00 C ATOM 0 H ALA A 79 -2.518 3.059 -13.136 1.00 0.00 H new ATOM 0 HA ALA A 79 -3.970 3.934 -15.293 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -4.849 1.613 -15.360 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -3.105 1.652 -15.007 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -4.272 1.361 -13.695 1.00 0.00 H new ATOM 1195 N ARG A 80 -5.931 3.482 -12.672 1.00 0.00 N ATOM 1196 CA ARG A 80 -7.256 3.783 -12.130 1.00 0.00 C ATOM 1197 C ARG A 80 -7.710 5.180 -12.537 1.00 0.00 C ATOM 1198 O ARG A 80 -8.906 5.448 -12.671 1.00 0.00 O ATOM 1199 CB ARG A 80 -7.221 3.668 -10.610 1.00 0.00 C ATOM 1200 CG ARG A 80 -8.381 2.879 -10.017 1.00 0.00 C ATOM 1201 CD ARG A 80 -9.523 3.775 -9.552 1.00 0.00 C ATOM 1202 NE ARG A 80 -10.362 4.256 -10.646 1.00 0.00 N ATOM 1203 CZ ARG A 80 -11.581 4.703 -10.478 1.00 0.00 C ATOM 1204 NH1 ARG A 80 -12.213 4.478 -9.353 1.00 0.00 N ATOM 1205 NH2 ARG A 80 -12.189 5.326 -11.452 1.00 0.00 N ATOM 0 H ARG A 80 -5.298 3.037 -12.007 1.00 0.00 H new ATOM 0 HA ARG A 80 -7.969 3.065 -12.536 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -6.285 3.194 -10.314 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -7.221 4.670 -10.181 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -8.756 2.176 -10.761 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -8.021 2.289 -9.174 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -10.142 3.225 -8.844 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -9.110 4.630 -9.017 1.00 0.00 H new ATOM 0 HE ARG A 80 -9.978 4.243 -11.591 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -11.755 3.954 -8.607 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -13.163 4.827 -9.223 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -11.714 5.464 -12.344 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -13.139 5.674 -11.321 1.00 0.00 H new ATOM 1219 N LYS A 81 -6.751 6.065 -12.738 1.00 0.00 N ATOM 1220 CA LYS A 81 -7.054 7.427 -13.141 1.00 0.00 C ATOM 1221 C LYS A 81 -7.875 7.443 -14.433 1.00 0.00 C ATOM 1222 O LYS A 81 -8.878 8.144 -14.535 1.00 0.00 O ATOM 1223 CB LYS A 81 -5.759 8.215 -13.338 1.00 0.00 C ATOM 1224 CG LYS A 81 -5.528 9.295 -12.297 1.00 0.00 C ATOM 1225 CD LYS A 81 -4.281 10.107 -12.617 1.00 0.00 C ATOM 1226 CE LYS A 81 -3.017 9.278 -12.475 1.00 0.00 C ATOM 1227 NZ LYS A 81 -2.805 8.851 -11.068 1.00 0.00 N ATOM 0 H LYS A 81 -5.757 5.866 -12.629 1.00 0.00 H new ATOM 0 HA LYS A 81 -7.643 7.894 -12.352 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -4.918 7.522 -13.320 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -5.772 8.675 -14.326 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -6.394 9.955 -12.255 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -5.426 8.839 -11.312 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -4.350 10.494 -13.634 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -4.227 10.969 -11.951 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -3.082 8.400 -13.118 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -2.159 9.859 -12.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -1.823 8.530 -10.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -2.988 9.652 -10.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -3.455 8.072 -10.840 1.00 0.00 H new