USER MOD reduce.3.24.130724 H: found=0, std=0, add=585, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 584 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 11 GLN :FLIP amide:sc= -2.4! F(o=-5.6,f=-4.4!) USER MOD Set 1.2: A 78 ASN : amide:sc= -2.03! C(o=-4.4!,f=-7.5!) USER MOD Single : A 8 SER OG : rot 130:sc= -0.0118 USER MOD Single : A 9 GLN : amide:sc= -0.194 X(o=-0.19,f=-0.27) USER MOD Single : A 12 GLN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : A 13 CYS SG : rot 180:sc= 0 USER MOD Single : A 14 CYS SG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot -12:sc= 0.863 USER MOD Single : A 19 THR OG1 : rot -164:sc= -1.3 USER MOD Single : A 22 LYS NZ :NH3+ -124:sc= -0.977 (180deg=-1.6!) USER MOD Single : A 29 TYR OH : rot 110:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ -161:sc= -0.0462 (180deg=-0.443) USER MOD Single : A 31 THR OG1 : rot 51:sc= 0.559 USER MOD Single : A 33 GLN : amide:sc= -0.106 K(o=-0.11,f=-0.89) USER MOD Single : A 34 THR OG1 : rot -97:sc= 1.5 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 HIS : no HD1:sc= -1.31 K(o=-1.3,f=-2.8!) USER MOD Single : A 42 THR OG1 : rot -46:sc= 1.08 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.0923 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 163:sc=-0.000169 (180deg=-0.178) USER MOD Single : A 56 CYS SG : rot -10:sc= -2.66! USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 164:sc= -1.19 (180deg=-1.6) USER MOD Single : A 64 GLN : amide:sc= -0.0163 K(o=-0.016,f=-1.1) USER MOD Single : A 66 LYS NZ :NH3+ -143:sc= -1.98 (180deg=-4.46!) USER MOD Single : A 67 MET CE :methyl 156:sc= -0.0727 (180deg=-0.8) USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 162:sc= -0.0404 (180deg=-0.434) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 57 N PRO A 6 -22.406 -2.372 13.187 1.00 0.00 N ATOM 58 CA PRO A 6 -23.097 -2.756 11.917 1.00 0.00 C ATOM 59 C PRO A 6 -24.612 -2.574 12.010 1.00 0.00 C ATOM 60 O PRO A 6 -25.213 -2.787 13.061 1.00 0.00 O ATOM 61 CB PRO A 6 -22.725 -4.242 11.733 1.00 0.00 C ATOM 62 CG PRO A 6 -21.475 -4.425 12.528 1.00 0.00 C ATOM 63 CD PRO A 6 -21.602 -3.484 13.722 1.00 0.00 C ATOM 0 HA PRO A 6 -22.791 -2.132 11.077 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -23.520 -4.896 12.091 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -22.564 -4.482 10.682 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -21.367 -5.459 12.855 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -20.594 -4.185 11.933 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -22.094 -3.968 14.566 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -20.628 -3.144 14.073 1.00 0.00 H new ATOM 71 N ILE A 7 -25.217 -2.187 10.892 1.00 0.00 N ATOM 72 CA ILE A 7 -26.657 -1.979 10.843 1.00 0.00 C ATOM 73 C ILE A 7 -27.391 -3.294 10.989 1.00 0.00 C ATOM 74 O ILE A 7 -28.610 -3.324 11.158 1.00 0.00 O ATOM 75 CB ILE A 7 -27.063 -1.332 9.525 1.00 0.00 C ATOM 76 CG1 ILE A 7 -26.371 0.031 9.386 1.00 0.00 C ATOM 77 CG2 ILE A 7 -28.585 -1.137 9.505 1.00 0.00 C ATOM 78 CD1 ILE A 7 -24.895 -0.134 8.979 1.00 0.00 C ATOM 0 H ILE A 7 -24.733 -2.012 10.011 1.00 0.00 H new ATOM 0 HA ILE A 7 -26.924 -1.319 11.669 1.00 0.00 H new ATOM 0 HB ILE A 7 -26.764 -1.974 8.696 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -26.892 0.632 8.641 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -26.432 0.571 10.331 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -28.880 -0.674 8.563 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -29.077 -2.105 9.604 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -28.880 -0.494 10.334 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -24.431 0.848 8.888 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -24.371 -0.714 9.738 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -24.837 -0.653 8.022 1.00 0.00 H new ATOM 90 N SER A 8 -26.647 -4.382 10.917 1.00 0.00 N ATOM 91 CA SER A 8 -27.248 -5.693 11.037 1.00 0.00 C ATOM 92 C SER A 8 -28.019 -5.774 12.341 1.00 0.00 C ATOM 93 O SER A 8 -29.025 -6.472 12.434 1.00 0.00 O ATOM 94 CB SER A 8 -26.162 -6.771 11.016 1.00 0.00 C ATOM 95 OG SER A 8 -25.544 -6.791 9.735 1.00 0.00 O ATOM 0 H SER A 8 -25.637 -4.383 10.778 1.00 0.00 H new ATOM 0 HA SER A 8 -27.926 -5.856 10.199 1.00 0.00 H new ATOM 0 HB2 SER A 8 -25.419 -6.570 11.788 1.00 0.00 H new ATOM 0 HB3 SER A 8 -26.597 -7.746 11.238 1.00 0.00 H new ATOM 0 HG SER A 8 -24.570 -6.759 9.841 1.00 0.00 H new ATOM 101 N GLN A 9 -27.548 -5.052 13.350 1.00 0.00 N ATOM 102 CA GLN A 9 -28.227 -5.064 14.640 1.00 0.00 C ATOM 103 C GLN A 9 -29.648 -4.509 14.506 1.00 0.00 C ATOM 104 O GLN A 9 -30.624 -5.154 14.905 1.00 0.00 O ATOM 105 CB GLN A 9 -27.450 -4.200 15.627 1.00 0.00 C ATOM 106 CG GLN A 9 -28.060 -4.343 17.028 1.00 0.00 C ATOM 107 CD GLN A 9 -27.875 -5.767 17.545 1.00 0.00 C ATOM 108 OE1 GLN A 9 -26.757 -6.279 17.569 1.00 0.00 O ATOM 109 NE2 GLN A 9 -28.911 -6.438 17.970 1.00 0.00 N ATOM 0 H GLN A 9 -26.717 -4.463 13.304 1.00 0.00 H new ATOM 0 HA GLN A 9 -28.279 -6.093 14.997 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -26.403 -4.501 15.643 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -27.477 -3.157 15.312 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -27.588 -3.637 17.711 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -29.121 -4.095 16.997 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -29.838 -6.012 17.950 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -28.794 -7.388 18.322 1.00 0.00 H new ATOM 118 N LEU A 10 -29.759 -3.314 13.927 1.00 0.00 N ATOM 119 CA LEU A 10 -31.065 -2.690 13.732 1.00 0.00 C ATOM 120 C LEU A 10 -31.897 -3.523 12.772 1.00 0.00 C ATOM 121 O LEU A 10 -33.078 -3.772 13.010 1.00 0.00 O ATOM 122 CB LEU A 10 -30.890 -1.254 13.198 1.00 0.00 C ATOM 123 CG LEU A 10 -30.913 -0.241 14.361 1.00 0.00 C ATOM 124 CD1 LEU A 10 -30.207 1.050 13.937 1.00 0.00 C ATOM 125 CD2 LEU A 10 -32.369 0.089 14.728 1.00 0.00 C ATOM 0 H LEU A 10 -28.969 -2.764 13.588 1.00 0.00 H new ATOM 0 HA LEU A 10 -31.586 -2.640 14.688 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -29.948 -1.173 12.656 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -31.686 -1.023 12.490 1.00 0.00 H new ATOM 0 HG LEU A 10 -30.402 -0.676 15.220 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -30.226 1.763 14.762 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -29.173 0.829 13.672 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -30.719 1.479 13.075 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -32.384 0.805 15.550 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -32.874 0.519 13.863 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -32.883 -0.823 15.032 1.00 0.00 H new ATOM 137 N GLN A 11 -31.271 -3.950 11.688 1.00 0.00 N ATOM 138 CA GLN A 11 -31.968 -4.758 10.702 1.00 0.00 C ATOM 139 C GLN A 11 -32.487 -6.040 11.350 1.00 0.00 C ATOM 140 O GLN A 11 -33.578 -6.504 11.036 1.00 0.00 O ATOM 141 CB GLN A 11 -31.029 -5.103 9.545 1.00 0.00 C ATOM 142 CG GLN A 11 -31.823 -5.773 8.417 1.00 0.00 C ATOM 143 CD GLN A 11 -32.842 -4.799 7.834 1.00 0.00 C ATOM 144 OE1 GLN A 11 -34.102 -5.137 7.779 1.00 0.00 O flip ATOM 145 NE2 GLN A 11 -32.482 -3.697 7.419 1.00 0.00 N flip ATOM 0 H GLN A 11 -30.294 -3.754 11.470 1.00 0.00 H new ATOM 0 HA GLN A 11 -32.812 -4.188 10.314 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -30.545 -4.199 9.175 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -30.239 -5.769 9.892 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -31.143 -6.109 7.635 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -32.333 -6.658 8.798 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -31.498 -3.433 7.462 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -33.168 -3.049 7.032 1.00 0.00 H new ATOM 154 N GLN A 12 -31.697 -6.608 12.258 1.00 0.00 N ATOM 155 CA GLN A 12 -32.092 -7.838 12.934 1.00 0.00 C ATOM 156 C GLN A 12 -33.405 -7.637 13.675 1.00 0.00 C ATOM 157 O GLN A 12 -34.302 -8.479 13.605 1.00 0.00 O ATOM 158 CB GLN A 12 -31.006 -8.257 13.926 1.00 0.00 C ATOM 159 CG GLN A 12 -31.392 -9.585 14.584 1.00 0.00 C ATOM 160 CD GLN A 12 -30.273 -10.050 15.509 1.00 0.00 C ATOM 161 OE1 GLN A 12 -29.553 -9.228 16.076 1.00 0.00 O ATOM 162 NE2 GLN A 12 -30.080 -11.326 15.694 1.00 0.00 N ATOM 0 H GLN A 12 -30.789 -6.240 12.540 1.00 0.00 H new ATOM 0 HA GLN A 12 -32.223 -8.619 12.186 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -30.050 -8.359 13.412 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -30.878 -7.487 14.687 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -32.317 -9.466 15.149 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -31.580 -10.339 13.819 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -30.678 -12.006 15.223 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -29.332 -11.645 16.309 1.00 0.00 H new ATOM 171 N CYS A 13 -33.525 -6.518 14.376 1.00 0.00 N ATOM 172 CA CYS A 13 -34.752 -6.238 15.108 1.00 0.00 C ATOM 173 C CYS A 13 -35.938 -6.154 14.145 1.00 0.00 C ATOM 174 O CYS A 13 -37.007 -6.705 14.409 1.00 0.00 O ATOM 175 CB CYS A 13 -34.613 -4.923 15.871 1.00 0.00 C ATOM 176 SG CYS A 13 -33.450 -5.143 17.242 1.00 0.00 S ATOM 0 H CYS A 13 -32.803 -5.802 14.453 1.00 0.00 H new ATOM 0 HA CYS A 13 -34.930 -7.048 15.816 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -34.260 -4.138 15.203 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -35.584 -4.606 16.251 1.00 0.00 H new ATOM 0 HG CYS A 13 -33.328 -4.024 17.892 1.00 0.00 H new ATOM 182 N CYS A 14 -35.741 -5.464 13.025 1.00 0.00 N ATOM 183 CA CYS A 14 -36.797 -5.321 12.026 1.00 0.00 C ATOM 184 C CYS A 14 -37.162 -6.672 11.417 1.00 0.00 C ATOM 185 O CYS A 14 -38.334 -6.964 11.180 1.00 0.00 O ATOM 186 CB CYS A 14 -36.348 -4.365 10.921 1.00 0.00 C ATOM 187 SG CYS A 14 -36.277 -2.682 11.579 1.00 0.00 S ATOM 0 H CYS A 14 -34.866 -4.998 12.787 1.00 0.00 H new ATOM 0 HA CYS A 14 -37.679 -4.915 12.523 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -35.370 -4.662 10.543 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -37.041 -4.410 10.081 1.00 0.00 H new ATOM 0 HG CYS A 14 -35.893 -1.866 10.643 1.00 0.00 H new ATOM 193 N LEU A 15 -36.145 -7.487 11.157 1.00 0.00 N ATOM 194 CA LEU A 15 -36.358 -8.804 10.566 1.00 0.00 C ATOM 195 C LEU A 15 -37.204 -9.682 11.474 1.00 0.00 C ATOM 196 O LEU A 15 -38.062 -10.420 11.004 1.00 0.00 O ATOM 197 CB LEU A 15 -35.008 -9.479 10.314 1.00 0.00 C ATOM 198 CG LEU A 15 -34.287 -8.798 9.142 1.00 0.00 C ATOM 199 CD1 LEU A 15 -32.810 -9.199 9.159 1.00 0.00 C ATOM 200 CD2 LEU A 15 -34.917 -9.235 7.805 1.00 0.00 C ATOM 0 H LEU A 15 -35.168 -7.260 11.345 1.00 0.00 H new ATOM 0 HA LEU A 15 -36.889 -8.673 9.623 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -34.392 -9.423 11.212 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -35.157 -10.536 10.094 1.00 0.00 H new ATOM 0 HG LEU A 15 -34.382 -7.717 9.244 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -32.293 -8.718 8.329 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -32.358 -8.884 10.099 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -32.726 -10.281 9.061 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -34.398 -8.746 6.981 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -34.830 -10.316 7.698 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -35.970 -8.952 7.789 1.00 0.00 H new ATOM 212 N THR A 16 -36.963 -9.600 12.772 1.00 0.00 N ATOM 213 CA THR A 16 -37.720 -10.405 13.719 1.00 0.00 C ATOM 214 C THR A 16 -39.161 -9.917 13.808 1.00 0.00 C ATOM 215 O THR A 16 -40.080 -10.706 14.047 1.00 0.00 O ATOM 216 CB THR A 16 -37.070 -10.323 15.103 1.00 0.00 C ATOM 217 OG1 THR A 16 -36.963 -8.960 15.493 1.00 0.00 O ATOM 218 CG2 THR A 16 -35.684 -10.965 15.059 1.00 0.00 C ATOM 0 H THR A 16 -36.259 -8.993 13.191 1.00 0.00 H new ATOM 0 HA THR A 16 -37.719 -11.438 13.372 1.00 0.00 H new ATOM 0 HB THR A 16 -37.684 -10.857 15.828 1.00 0.00 H new ATOM 0 HG1 THR A 16 -37.150 -8.384 14.723 1.00 0.00 H new ATOM 0 HG21 THR A 16 -35.224 -10.905 16.045 1.00 0.00 H new ATOM 0 HG22 THR A 16 -35.776 -12.010 14.765 1.00 0.00 H new ATOM 0 HG23 THR A 16 -35.062 -10.438 14.336 1.00 0.00 H new ATOM 226 N LEU A 17 -39.343 -8.616 13.598 1.00 0.00 N ATOM 227 CA LEU A 17 -40.674 -8.014 13.651 1.00 0.00 C ATOM 228 C LEU A 17 -41.375 -8.383 14.960 1.00 0.00 C ATOM 229 O LEU A 17 -42.326 -9.163 14.976 1.00 0.00 O ATOM 230 CB LEU A 17 -41.511 -8.480 12.441 1.00 0.00 C ATOM 231 CG LEU A 17 -42.508 -7.389 12.023 1.00 0.00 C ATOM 232 CD1 LEU A 17 -43.212 -7.810 10.734 1.00 0.00 C ATOM 233 CD2 LEU A 17 -43.548 -7.194 13.130 1.00 0.00 C ATOM 0 H LEU A 17 -38.590 -7.960 13.390 1.00 0.00 H new ATOM 0 HA LEU A 17 -40.572 -6.930 13.611 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -40.852 -8.718 11.606 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -42.048 -9.394 12.694 1.00 0.00 H new ATOM 0 HG LEU A 17 -41.973 -6.454 11.858 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -43.920 -7.036 10.437 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -42.473 -7.949 9.945 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -43.746 -8.746 10.900 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -44.255 -6.420 12.833 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -44.083 -8.129 13.296 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -43.048 -6.894 14.051 1.00 0.00 H new ATOM 245 N ARG A 18 -40.893 -7.816 16.061 1.00 0.00 N ATOM 246 CA ARG A 18 -41.476 -8.091 17.369 1.00 0.00 C ATOM 247 C ARG A 18 -42.841 -7.423 17.500 1.00 0.00 C ATOM 248 O ARG A 18 -42.933 -6.207 17.679 1.00 0.00 O ATOM 249 CB ARG A 18 -40.542 -7.566 18.462 1.00 0.00 C ATOM 250 CG ARG A 18 -39.226 -8.341 18.412 1.00 0.00 C ATOM 251 CD ARG A 18 -38.254 -7.760 19.437 1.00 0.00 C ATOM 252 NE ARG A 18 -36.973 -8.450 19.361 1.00 0.00 N ATOM 253 CZ ARG A 18 -35.952 -8.089 20.131 1.00 0.00 C ATOM 254 NH1 ARG A 18 -34.810 -8.714 20.036 1.00 0.00 N ATOM 255 NH2 ARG A 18 -36.092 -7.109 20.980 1.00 0.00 N ATOM 0 H ARG A 18 -40.106 -7.168 16.074 1.00 0.00 H new ATOM 0 HA ARG A 18 -41.604 -9.168 17.477 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -40.357 -6.501 18.319 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -41.008 -7.679 19.441 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -39.405 -9.396 18.621 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -38.795 -8.283 17.413 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -38.113 -6.695 19.253 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -38.670 -7.858 20.440 1.00 0.00 H new ATOM 0 HE ARG A 18 -36.858 -9.223 18.706 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -34.701 -9.479 19.371 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -34.026 -8.437 20.627 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -36.985 -6.621 21.052 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -35.309 -6.831 21.572 1.00 0.00 H new ATOM 269 N THR A 19 -43.904 -8.223 17.416 1.00 0.00 N ATOM 270 CA THR A 19 -45.266 -7.698 17.530 1.00 0.00 C ATOM 271 C THR A 19 -46.143 -8.648 18.347 1.00 0.00 C ATOM 272 O THR A 19 -46.174 -9.857 18.103 1.00 0.00 O ATOM 273 CB THR A 19 -45.873 -7.507 16.138 1.00 0.00 C ATOM 274 OG1 THR A 19 -45.047 -6.632 15.382 1.00 0.00 O ATOM 275 CG2 THR A 19 -47.272 -6.901 16.268 1.00 0.00 C ATOM 0 H THR A 19 -43.850 -9.231 17.270 1.00 0.00 H new ATOM 0 HA THR A 19 -45.221 -6.736 18.040 1.00 0.00 H new ATOM 0 HB THR A 19 -45.942 -8.472 15.635 1.00 0.00 H new ATOM 0 HG1 THR A 19 -45.543 -6.306 14.602 1.00 0.00 H new ATOM 0 HG21 THR A 19 -47.703 -6.765 15.276 1.00 0.00 H new ATOM 0 HG22 THR A 19 -47.905 -7.570 16.851 1.00 0.00 H new ATOM 0 HG23 THR A 19 -47.205 -5.936 16.770 1.00 0.00 H new ATOM 283 N GLU A 20 -46.865 -8.093 19.314 1.00 0.00 N ATOM 284 CA GLU A 20 -47.741 -8.906 20.147 1.00 0.00 C ATOM 285 C GLU A 20 -48.883 -9.472 19.316 1.00 0.00 C ATOM 286 O GLU A 20 -49.425 -8.794 18.442 1.00 0.00 O ATOM 287 CB GLU A 20 -48.304 -8.066 21.294 1.00 0.00 C ATOM 288 CG GLU A 20 -47.188 -7.751 22.293 1.00 0.00 C ATOM 289 CD GLU A 20 -47.685 -6.748 23.327 1.00 0.00 C ATOM 290 OE1 GLU A 20 -48.757 -6.199 23.124 1.00 0.00 O ATOM 291 OE2 GLU A 20 -46.986 -6.540 24.306 1.00 0.00 O ATOM 0 H GLU A 20 -46.862 -7.098 19.538 1.00 0.00 H new ATOM 0 HA GLU A 20 -47.160 -9.731 20.560 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -48.731 -7.141 20.906 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -49.110 -8.605 21.792 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -46.863 -8.666 22.788 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -46.322 -7.347 21.769 1.00 0.00 H new ATOM 298 N GLY A 21 -49.245 -10.718 19.593 1.00 0.00 N ATOM 299 CA GLY A 21 -50.326 -11.375 18.865 1.00 0.00 C ATOM 300 C GLY A 21 -49.799 -12.042 17.602 1.00 0.00 C ATOM 301 O GLY A 21 -50.542 -12.722 16.892 1.00 0.00 O ATOM 0 H GLY A 21 -48.809 -11.293 20.313 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -50.801 -12.120 19.504 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -51.091 -10.644 18.604 1.00 0.00 H new ATOM 305 N LYS A 22 -48.508 -11.847 17.323 1.00 0.00 N ATOM 306 CA LYS A 22 -47.894 -12.441 16.138 1.00 0.00 C ATOM 307 C LYS A 22 -46.464 -12.867 16.445 1.00 0.00 C ATOM 308 O LYS A 22 -45.656 -12.070 16.920 1.00 0.00 O ATOM 309 CB LYS A 22 -47.894 -11.424 14.995 1.00 0.00 C ATOM 310 CG LYS A 22 -47.370 -12.095 13.722 1.00 0.00 C ATOM 311 CD LYS A 22 -47.596 -11.186 12.506 1.00 0.00 C ATOM 312 CE LYS A 22 -46.560 -10.058 12.492 1.00 0.00 C ATOM 313 NZ LYS A 22 -45.192 -10.648 12.442 1.00 0.00 N ATOM 0 H LYS A 22 -47.875 -11.288 17.896 1.00 0.00 H new ATOM 0 HA LYS A 22 -48.469 -13.319 15.843 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -48.902 -11.044 14.831 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -47.269 -10.569 15.253 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -46.307 -12.312 13.829 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -47.877 -13.048 13.571 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -47.523 -11.769 11.588 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -48.601 -10.766 12.538 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -46.721 -9.411 11.630 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -46.669 -9.437 13.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -44.632 -10.294 13.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -45.259 -11.684 12.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -44.730 -10.377 11.551 1.00 0.00 H new ATOM 327 N GLU A 23 -46.162 -14.132 16.178 1.00 0.00 N ATOM 328 CA GLU A 23 -44.828 -14.656 16.436 1.00 0.00 C ATOM 329 C GLU A 23 -43.812 -14.074 15.451 1.00 0.00 C ATOM 330 O GLU A 23 -44.158 -13.762 14.310 1.00 0.00 O ATOM 331 CB GLU A 23 -44.839 -16.186 16.327 1.00 0.00 C ATOM 332 CG GLU A 23 -45.574 -16.784 17.529 1.00 0.00 C ATOM 333 CD GLU A 23 -47.058 -16.438 17.466 1.00 0.00 C ATOM 334 OE1 GLU A 23 -47.528 -16.129 16.383 1.00 0.00 O ATOM 335 OE2 GLU A 23 -47.703 -16.490 18.500 1.00 0.00 O ATOM 0 H GLU A 23 -46.817 -14.808 15.786 1.00 0.00 H new ATOM 0 HA GLU A 23 -44.535 -14.365 17.445 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -45.328 -16.491 15.401 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -43.818 -16.565 16.288 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -45.446 -17.866 17.541 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -45.143 -16.402 18.455 1.00 0.00 H new ATOM 342 N PRO A 24 -42.573 -13.932 15.860 1.00 0.00 N ATOM 343 CA PRO A 24 -41.499 -13.383 14.978 1.00 0.00 C ATOM 344 C PRO A 24 -41.159 -14.341 13.840 1.00 0.00 C ATOM 345 O PRO A 24 -41.407 -15.543 13.930 1.00 0.00 O ATOM 346 CB PRO A 24 -40.306 -13.197 15.931 1.00 0.00 C ATOM 347 CG PRO A 24 -40.537 -14.184 17.029 1.00 0.00 C ATOM 348 CD PRO A 24 -42.052 -14.265 17.202 1.00 0.00 C ATOM 0 HA PRO A 24 -41.795 -12.456 14.486 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -39.360 -13.385 15.422 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -40.263 -12.179 16.317 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -40.120 -15.158 16.774 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -40.054 -13.863 17.952 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -42.367 -15.259 17.519 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -42.408 -13.563 17.956 1.00 0.00 H new ATOM 356 N ASP A 25 -40.593 -13.795 12.771 1.00 0.00 N ATOM 357 CA ASP A 25 -40.223 -14.611 11.616 1.00 0.00 C ATOM 358 C ASP A 25 -38.892 -15.305 11.870 1.00 0.00 C ATOM 359 O ASP A 25 -38.351 -15.239 12.973 1.00 0.00 O ATOM 360 CB ASP A 25 -40.115 -13.741 10.363 1.00 0.00 C ATOM 361 CG ASP A 25 -38.916 -12.807 10.476 1.00 0.00 C ATOM 362 OD1 ASP A 25 -38.317 -12.772 11.539 1.00 0.00 O ATOM 363 OD2 ASP A 25 -38.608 -12.148 9.498 1.00 0.00 O ATOM 0 H ASP A 25 -40.381 -12.802 12.677 1.00 0.00 H new ATOM 0 HA ASP A 25 -40.997 -15.362 11.462 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -40.012 -14.372 9.480 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -41.028 -13.160 10.235 1.00 0.00 H new ATOM 368 N ILE A 26 -38.362 -15.968 10.842 1.00 0.00 N ATOM 369 CA ILE A 26 -37.081 -16.666 10.968 1.00 0.00 C ATOM 370 C ILE A 26 -36.131 -16.253 9.835 1.00 0.00 C ATOM 371 O ILE A 26 -36.118 -16.875 8.770 1.00 0.00 O ATOM 372 CB ILE A 26 -37.316 -18.183 10.921 1.00 0.00 C ATOM 373 CG1 ILE A 26 -38.379 -18.509 9.869 1.00 0.00 C ATOM 374 CG2 ILE A 26 -37.798 -18.669 12.292 1.00 0.00 C ATOM 375 CD1 ILE A 26 -38.384 -20.015 9.605 1.00 0.00 C ATOM 0 H ILE A 26 -38.794 -16.037 9.921 1.00 0.00 H new ATOM 0 HA ILE A 26 -36.625 -16.396 11.921 1.00 0.00 H new ATOM 0 HB ILE A 26 -36.382 -18.682 10.661 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -39.361 -18.186 10.215 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -38.172 -17.967 8.946 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -37.965 -19.746 12.258 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -37.043 -18.442 13.045 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -38.730 -18.165 12.550 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -39.140 -20.251 8.856 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -37.404 -20.324 9.241 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -38.611 -20.546 10.530 1.00 0.00 H new ATOM 387 N PRO A 27 -35.336 -15.224 10.038 1.00 0.00 N ATOM 388 CA PRO A 27 -34.374 -14.745 9.009 1.00 0.00 C ATOM 389 C PRO A 27 -33.120 -15.614 8.953 1.00 0.00 C ATOM 390 O PRO A 27 -32.766 -16.272 9.930 1.00 0.00 O ATOM 391 CB PRO A 27 -34.059 -13.314 9.460 1.00 0.00 C ATOM 392 CG PRO A 27 -34.197 -13.344 10.949 1.00 0.00 C ATOM 393 CD PRO A 27 -35.259 -14.403 11.268 1.00 0.00 C ATOM 0 HA PRO A 27 -34.779 -14.790 7.998 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -33.053 -13.018 9.162 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -34.748 -12.598 9.013 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -33.247 -13.593 11.421 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -34.496 -12.368 11.330 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -34.974 -15.005 12.131 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -36.220 -13.945 11.502 1.00 0.00 H new ATOM 401 N LEU A 28 -32.453 -15.608 7.803 1.00 0.00 N ATOM 402 CA LEU A 28 -31.234 -16.393 7.619 1.00 0.00 C ATOM 403 C LEU A 28 -30.201 -15.579 6.853 1.00 0.00 C ATOM 404 O LEU A 28 -30.553 -14.756 6.009 1.00 0.00 O ATOM 405 CB LEU A 28 -31.543 -17.682 6.850 1.00 0.00 C ATOM 406 CG LEU A 28 -32.302 -17.355 5.554 1.00 0.00 C ATOM 407 CD1 LEU A 28 -32.295 -18.593 4.650 1.00 0.00 C ATOM 408 CD2 LEU A 28 -33.757 -16.926 5.863 1.00 0.00 C ATOM 0 H LEU A 28 -32.735 -15.069 6.984 1.00 0.00 H new ATOM 0 HA LEU A 28 -30.836 -16.651 8.600 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -30.616 -18.206 6.616 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -32.139 -18.351 7.471 1.00 0.00 H new ATOM 0 HG LEU A 28 -31.809 -16.525 5.048 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -32.831 -18.373 3.727 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -31.266 -18.867 4.416 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -32.783 -19.421 5.164 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -34.275 -16.699 4.931 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -34.274 -17.736 6.378 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -33.748 -16.040 6.498 1.00 0.00 H new ATOM 420 N TYR A 29 -28.924 -15.809 7.153 1.00 0.00 N ATOM 421 CA TYR A 29 -27.844 -15.085 6.483 1.00 0.00 C ATOM 422 C TYR A 29 -26.802 -16.064 5.957 1.00 0.00 C ATOM 423 O TYR A 29 -26.081 -16.692 6.733 1.00 0.00 O ATOM 424 CB TYR A 29 -27.185 -14.117 7.468 1.00 0.00 C ATOM 425 CG TYR A 29 -28.251 -13.457 8.318 1.00 0.00 C ATOM 426 CD1 TYR A 29 -28.217 -13.586 9.714 1.00 0.00 C ATOM 427 CD2 TYR A 29 -29.277 -12.723 7.710 1.00 0.00 C ATOM 428 CE1 TYR A 29 -29.206 -12.981 10.499 1.00 0.00 C ATOM 429 CE2 TYR A 29 -30.265 -12.117 8.496 1.00 0.00 C ATOM 430 CZ TYR A 29 -30.230 -12.247 9.889 1.00 0.00 C ATOM 431 OH TYR A 29 -31.204 -11.650 10.663 1.00 0.00 O ATOM 0 H TYR A 29 -28.613 -16.485 7.850 1.00 0.00 H new ATOM 0 HA TYR A 29 -28.261 -14.526 5.645 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -26.479 -14.652 8.103 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -26.617 -13.361 6.926 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -27.427 -14.153 10.184 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -29.306 -12.624 6.635 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -29.179 -13.081 11.574 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -31.055 -11.549 8.027 1.00 0.00 H new ATOM 0 HH TYR A 29 -31.089 -10.677 10.640 1.00 0.00 H new ATOM 441 N LYS A 30 -26.727 -16.196 4.636 1.00 0.00 N ATOM 442 CA LYS A 30 -25.767 -17.107 4.022 1.00 0.00 C ATOM 443 C LYS A 30 -25.363 -16.603 2.641 1.00 0.00 C ATOM 444 O LYS A 30 -26.212 -16.214 1.839 1.00 0.00 O ATOM 445 CB LYS A 30 -26.374 -18.507 3.908 1.00 0.00 C ATOM 446 CG LYS A 30 -25.331 -19.475 3.346 1.00 0.00 C ATOM 447 CD LYS A 30 -25.911 -20.890 3.312 1.00 0.00 C ATOM 448 CE LYS A 30 -24.858 -21.861 2.776 1.00 0.00 C ATOM 449 NZ LYS A 30 -24.540 -21.517 1.362 1.00 0.00 N ATOM 0 H LYS A 30 -27.314 -15.688 3.975 1.00 0.00 H new ATOM 0 HA LYS A 30 -24.878 -17.152 4.652 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -26.712 -18.849 4.886 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -27.249 -18.483 3.259 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -25.038 -19.167 2.342 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -24.432 -19.454 3.962 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -26.222 -21.191 4.312 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -26.799 -20.915 2.681 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -23.956 -21.809 3.386 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -25.227 -22.885 2.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -24.090 -22.333 0.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -25.417 -21.273 0.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -23.891 -20.705 1.340 1.00 0.00 H new ATOM 463 N THR A 31 -24.064 -16.614 2.369 1.00 0.00 N ATOM 464 CA THR A 31 -23.562 -16.162 1.078 1.00 0.00 C ATOM 465 C THR A 31 -24.152 -17.006 -0.046 1.00 0.00 C ATOM 466 O THR A 31 -24.434 -18.190 0.138 1.00 0.00 O ATOM 467 CB THR A 31 -22.037 -16.258 1.048 1.00 0.00 C ATOM 468 OG1 THR A 31 -21.592 -16.265 -0.302 1.00 0.00 O ATOM 469 CG2 THR A 31 -21.594 -17.542 1.749 1.00 0.00 C ATOM 0 H THR A 31 -23.344 -16.928 3.020 1.00 0.00 H new ATOM 0 HA THR A 31 -23.860 -15.124 0.933 1.00 0.00 H new ATOM 0 HB THR A 31 -21.604 -15.401 1.564 1.00 0.00 H new ATOM 0 HG1 THR A 31 -21.991 -15.510 -0.782 1.00 0.00 H new ATOM 0 HG21 THR A 31 -20.506 -17.611 1.728 1.00 0.00 H new ATOM 0 HG22 THR A 31 -21.937 -17.529 2.784 1.00 0.00 H new ATOM 0 HG23 THR A 31 -22.022 -18.403 1.236 1.00 0.00 H new ATOM 477 N LEU A 32 -24.346 -16.389 -1.208 1.00 0.00 N ATOM 478 CA LEU A 32 -24.914 -17.097 -2.352 1.00 0.00 C ATOM 479 C LEU A 32 -23.818 -17.774 -3.164 1.00 0.00 C ATOM 480 O LEU A 32 -23.937 -18.942 -3.531 1.00 0.00 O ATOM 481 CB LEU A 32 -25.664 -16.105 -3.244 1.00 0.00 C ATOM 482 CG LEU A 32 -26.714 -15.351 -2.417 1.00 0.00 C ATOM 483 CD1 LEU A 32 -27.443 -14.350 -3.317 1.00 0.00 C ATOM 484 CD2 LEU A 32 -27.724 -16.342 -1.814 1.00 0.00 C ATOM 0 H LEU A 32 -24.121 -15.410 -1.382 1.00 0.00 H new ATOM 0 HA LEU A 32 -25.600 -17.860 -1.983 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -24.962 -15.399 -3.688 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -26.147 -16.634 -4.066 1.00 0.00 H new ATOM 0 HG LEU A 32 -26.218 -14.819 -1.605 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -28.190 -13.812 -2.733 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -26.725 -13.641 -3.729 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -27.934 -14.883 -4.131 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -28.464 -15.796 -1.229 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -28.224 -16.885 -2.616 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -27.201 -17.048 -1.169 1.00 0.00 H new ATOM 496 N GLN A 33 -22.747 -17.036 -3.438 1.00 0.00 N ATOM 497 CA GLN A 33 -21.635 -17.576 -4.207 1.00 0.00 C ATOM 498 C GLN A 33 -20.384 -16.725 -3.999 1.00 0.00 C ATOM 499 O GLN A 33 -20.459 -15.587 -3.534 1.00 0.00 O ATOM 500 CB GLN A 33 -22.008 -17.636 -5.711 1.00 0.00 C ATOM 501 CG GLN A 33 -22.185 -19.092 -6.167 1.00 0.00 C ATOM 502 CD GLN A 33 -20.831 -19.791 -6.178 1.00 0.00 C ATOM 503 OE1 GLN A 33 -19.862 -19.257 -6.720 1.00 0.00 O ATOM 504 NE2 GLN A 33 -20.702 -20.958 -5.610 1.00 0.00 N ATOM 0 H GLN A 33 -22.627 -16.068 -3.140 1.00 0.00 H new ATOM 0 HA GLN A 33 -21.424 -18.587 -3.860 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -22.929 -17.080 -5.885 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -21.229 -17.156 -6.304 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -22.869 -19.613 -5.497 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -22.629 -19.121 -7.162 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -21.505 -21.399 -5.162 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -19.798 -21.430 -5.614 1.00 0.00 H new ATOM 513 N THR A 34 -19.233 -17.287 -4.364 1.00 0.00 N ATOM 514 CA THR A 34 -17.959 -16.584 -4.232 1.00 0.00 C ATOM 515 C THR A 34 -17.484 -16.130 -5.606 1.00 0.00 C ATOM 516 O THR A 34 -17.356 -16.938 -6.528 1.00 0.00 O ATOM 517 CB THR A 34 -16.913 -17.513 -3.610 1.00 0.00 C ATOM 518 OG1 THR A 34 -17.367 -17.946 -2.336 1.00 0.00 O ATOM 519 CG2 THR A 34 -15.592 -16.761 -3.449 1.00 0.00 C ATOM 0 H THR A 34 -19.157 -18.227 -4.753 1.00 0.00 H new ATOM 0 HA THR A 34 -18.094 -15.716 -3.587 1.00 0.00 H new ATOM 0 HB THR A 34 -16.762 -18.376 -4.258 1.00 0.00 H new ATOM 0 HG1 THR A 34 -16.971 -17.382 -1.639 1.00 0.00 H new ATOM 0 HG21 THR A 34 -14.848 -17.423 -3.006 1.00 0.00 H new ATOM 0 HG22 THR A 34 -15.243 -16.425 -4.426 1.00 0.00 H new ATOM 0 HG23 THR A 34 -15.741 -15.898 -2.800 1.00 0.00 H new ATOM 527 N VAL A 35 -17.233 -14.830 -5.741 1.00 0.00 N ATOM 528 CA VAL A 35 -16.782 -14.264 -7.013 1.00 0.00 C ATOM 529 C VAL A 35 -15.302 -13.907 -6.928 1.00 0.00 C ATOM 530 O VAL A 35 -14.825 -13.427 -5.901 1.00 0.00 O ATOM 531 CB VAL A 35 -17.591 -13.008 -7.344 1.00 0.00 C ATOM 532 CG1 VAL A 35 -17.318 -12.586 -8.795 1.00 0.00 C ATOM 533 CG2 VAL A 35 -19.084 -13.293 -7.162 1.00 0.00 C ATOM 0 H VAL A 35 -17.333 -14.149 -4.988 1.00 0.00 H new ATOM 0 HA VAL A 35 -16.930 -15.005 -7.799 1.00 0.00 H new ATOM 0 HB VAL A 35 -17.295 -12.202 -6.673 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -17.895 -11.691 -9.028 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -16.256 -12.375 -8.919 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -17.609 -13.392 -9.469 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -19.657 -12.396 -7.399 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -19.384 -14.102 -7.828 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -19.276 -13.584 -6.129 1.00 0.00 H new ATOM 543 N GLY A 36 -14.572 -14.165 -8.012 1.00 0.00 N ATOM 544 CA GLY A 36 -13.133 -13.881 -8.054 1.00 0.00 C ATOM 545 C GLY A 36 -12.794 -12.914 -9.193 1.00 0.00 C ATOM 546 O GLY A 36 -12.240 -13.325 -10.213 1.00 0.00 O ATOM 0 H GLY A 36 -14.948 -14.568 -8.870 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -12.816 -13.453 -7.103 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -12.579 -14.811 -8.185 1.00 0.00 H new ATOM 550 N PRO A 37 -13.117 -11.653 -9.045 1.00 0.00 N ATOM 551 CA PRO A 37 -12.836 -10.628 -10.095 1.00 0.00 C ATOM 552 C PRO A 37 -11.358 -10.240 -10.141 1.00 0.00 C ATOM 553 O PRO A 37 -10.909 -9.584 -11.080 1.00 0.00 O ATOM 554 CB PRO A 37 -13.724 -9.444 -9.686 1.00 0.00 C ATOM 555 CG PRO A 37 -13.865 -9.560 -8.199 1.00 0.00 C ATOM 556 CD PRO A 37 -13.774 -11.058 -7.864 1.00 0.00 C ATOM 0 HA PRO A 37 -13.051 -10.991 -11.100 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -13.269 -8.494 -9.966 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -14.695 -9.490 -10.179 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -13.079 -9.001 -7.691 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -14.817 -9.146 -7.867 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -13.194 -11.229 -6.957 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -14.761 -11.490 -7.697 1.00 0.00 H new ATOM 564 N SER A 38 -10.614 -10.640 -9.115 1.00 0.00 N ATOM 565 CA SER A 38 -9.191 -10.321 -9.039 1.00 0.00 C ATOM 566 C SER A 38 -8.459 -11.330 -8.163 1.00 0.00 C ATOM 567 O SER A 38 -9.055 -12.290 -7.675 1.00 0.00 O ATOM 568 CB SER A 38 -9.005 -8.916 -8.470 1.00 0.00 C ATOM 569 OG SER A 38 -9.363 -8.918 -7.094 1.00 0.00 O ATOM 0 H SER A 38 -10.969 -11.183 -8.328 1.00 0.00 H new ATOM 0 HA SER A 38 -8.773 -10.365 -10.045 1.00 0.00 H new ATOM 0 HB2 SER A 38 -7.969 -8.597 -8.588 1.00 0.00 H new ATOM 0 HB3 SER A 38 -9.622 -8.204 -9.018 1.00 0.00 H new ATOM 0 HG SER A 38 -9.244 -8.019 -6.724 1.00 0.00 H new ATOM 575 N HIS A 39 -7.164 -11.108 -7.971 1.00 0.00 N ATOM 576 CA HIS A 39 -6.360 -12.009 -7.157 1.00 0.00 C ATOM 577 C HIS A 39 -7.024 -12.241 -5.804 1.00 0.00 C ATOM 578 O HIS A 39 -6.885 -13.312 -5.211 1.00 0.00 O ATOM 579 CB HIS A 39 -4.966 -11.410 -6.947 1.00 0.00 C ATOM 580 CG HIS A 39 -5.090 -10.097 -6.224 1.00 0.00 C ATOM 581 ND1 HIS A 39 -5.238 -10.019 -4.848 1.00 0.00 N ATOM 582 CD2 HIS A 39 -5.089 -8.798 -6.673 1.00 0.00 C ATOM 583 CE1 HIS A 39 -5.319 -8.715 -4.521 1.00 0.00 C ATOM 584 NE2 HIS A 39 -5.234 -7.929 -5.596 1.00 0.00 N ATOM 0 H HIS A 39 -6.652 -10.318 -8.365 1.00 0.00 H new ATOM 0 HA HIS A 39 -6.274 -12.964 -7.675 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -4.346 -12.097 -6.372 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -4.473 -11.263 -7.908 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -4.991 -8.497 -7.706 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -5.438 -8.350 -3.512 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -5.268 -6.910 -5.623 1.00 0.00 H new ATOM 592 N ALA A 40 -7.754 -11.237 -5.323 1.00 0.00 N ATOM 593 CA ALA A 40 -8.449 -11.348 -4.041 1.00 0.00 C ATOM 594 C ALA A 40 -9.849 -11.918 -4.242 1.00 0.00 C ATOM 595 O ALA A 40 -10.571 -11.509 -5.150 1.00 0.00 O ATOM 596 CB ALA A 40 -8.545 -9.974 -3.379 1.00 0.00 C ATOM 0 H ALA A 40 -7.880 -10.343 -5.797 1.00 0.00 H new ATOM 0 HA ALA A 40 -7.883 -12.021 -3.397 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -9.064 -10.065 -2.425 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -7.543 -9.580 -3.211 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -9.097 -9.295 -4.029 1.00 0.00 H new ATOM 602 N ARG A 41 -10.229 -12.861 -3.386 1.00 0.00 N ATOM 603 CA ARG A 41 -11.551 -13.477 -3.477 1.00 0.00 C ATOM 604 C ARG A 41 -12.590 -12.596 -2.793 1.00 0.00 C ATOM 605 O ARG A 41 -12.302 -11.939 -1.792 1.00 0.00 O ATOM 606 CB ARG A 41 -11.528 -14.865 -2.814 1.00 0.00 C ATOM 607 CG ARG A 41 -11.002 -15.908 -3.806 1.00 0.00 C ATOM 608 CD ARG A 41 -9.551 -15.588 -4.164 1.00 0.00 C ATOM 609 NE ARG A 41 -8.967 -16.693 -4.908 1.00 0.00 N ATOM 610 CZ ARG A 41 -8.550 -17.789 -4.288 1.00 0.00 C ATOM 611 NH1 ARG A 41 -8.026 -18.767 -4.974 1.00 0.00 N ATOM 612 NH2 ARG A 41 -8.669 -17.889 -2.991 1.00 0.00 N ATOM 0 H ARG A 41 -9.647 -13.214 -2.627 1.00 0.00 H new ATOM 0 HA ARG A 41 -11.817 -13.586 -4.529 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -10.896 -14.843 -1.926 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -12.531 -15.137 -2.484 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -11.068 -16.905 -3.370 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -11.617 -15.912 -4.706 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -9.507 -14.675 -4.758 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -8.976 -15.405 -3.256 1.00 0.00 H new ATOM 0 HE ARG A 41 -8.877 -16.624 -5.922 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -7.937 -18.689 -5.987 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -7.705 -19.610 -4.497 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -9.082 -17.125 -2.456 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -8.349 -18.731 -2.513 1.00 0.00 H new ATOM 626 N THR A 42 -13.806 -12.591 -3.338 1.00 0.00 N ATOM 627 CA THR A 42 -14.895 -11.793 -2.776 1.00 0.00 C ATOM 628 C THR A 42 -16.129 -12.664 -2.572 1.00 0.00 C ATOM 629 O THR A 42 -16.363 -13.615 -3.318 1.00 0.00 O ATOM 630 CB THR A 42 -15.230 -10.638 -3.720 1.00 0.00 C ATOM 631 OG1 THR A 42 -15.629 -11.159 -4.980 1.00 0.00 O ATOM 632 CG2 THR A 42 -13.994 -9.753 -3.900 1.00 0.00 C ATOM 0 H THR A 42 -14.061 -13.129 -4.166 1.00 0.00 H new ATOM 0 HA THR A 42 -14.580 -11.392 -1.813 1.00 0.00 H new ATOM 0 HB THR A 42 -16.042 -10.046 -3.299 1.00 0.00 H new ATOM 0 HG1 THR A 42 -15.005 -11.863 -5.255 1.00 0.00 H new ATOM 0 HG21 THR A 42 -14.231 -8.929 -4.573 1.00 0.00 H new ATOM 0 HG22 THR A 42 -13.688 -9.355 -2.933 1.00 0.00 H new ATOM 0 HG23 THR A 42 -13.182 -10.344 -4.323 1.00 0.00 H new ATOM 640 N TYR A 43 -16.917 -12.331 -1.556 1.00 0.00 N ATOM 641 CA TYR A 43 -18.132 -13.086 -1.245 1.00 0.00 C ATOM 642 C TYR A 43 -19.361 -12.208 -1.419 1.00 0.00 C ATOM 643 O TYR A 43 -19.339 -11.018 -1.102 1.00 0.00 O ATOM 644 CB TYR A 43 -18.067 -13.592 0.198 1.00 0.00 C ATOM 645 CG TYR A 43 -16.939 -14.586 0.334 1.00 0.00 C ATOM 646 CD1 TYR A 43 -15.642 -14.140 0.615 1.00 0.00 C ATOM 647 CD2 TYR A 43 -17.189 -15.955 0.184 1.00 0.00 C ATOM 648 CE1 TYR A 43 -14.596 -15.060 0.743 1.00 0.00 C ATOM 649 CE2 TYR A 43 -16.144 -16.877 0.313 1.00 0.00 C ATOM 650 CZ TYR A 43 -14.847 -16.430 0.592 1.00 0.00 C ATOM 651 OH TYR A 43 -13.816 -17.339 0.719 1.00 0.00 O ATOM 0 H TYR A 43 -16.739 -11.544 -0.932 1.00 0.00 H new ATOM 0 HA TYR A 43 -18.203 -13.932 -1.928 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -17.913 -12.756 0.881 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -19.012 -14.059 0.473 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -15.449 -13.084 0.733 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -18.189 -16.300 -0.032 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -13.596 -14.714 0.958 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -16.338 -17.933 0.197 1.00 0.00 H new ATOM 0 HH TYR A 43 -14.162 -18.246 0.586 1.00 0.00 H new ATOM 661 N THR A 44 -20.437 -12.804 -1.929 1.00 0.00 N ATOM 662 CA THR A 44 -21.688 -12.076 -2.147 1.00 0.00 C ATOM 663 C THR A 44 -22.794 -12.672 -1.289 1.00 0.00 C ATOM 664 O THR A 44 -23.016 -13.882 -1.289 1.00 0.00 O ATOM 665 CB THR A 44 -22.089 -12.148 -3.620 1.00 0.00 C ATOM 666 OG1 THR A 44 -21.071 -11.558 -4.416 1.00 0.00 O ATOM 667 CG2 THR A 44 -23.404 -11.393 -3.826 1.00 0.00 C ATOM 0 H THR A 44 -20.469 -13.787 -2.199 1.00 0.00 H new ATOM 0 HA THR A 44 -21.538 -11.033 -1.868 1.00 0.00 H new ATOM 0 HB THR A 44 -22.219 -13.190 -3.913 1.00 0.00 H new ATOM 0 HG1 THR A 44 -21.326 -11.605 -5.361 1.00 0.00 H new ATOM 0 HG21 THR A 44 -23.692 -11.443 -4.876 1.00 0.00 H new ATOM 0 HG22 THR A 44 -24.184 -11.847 -3.214 1.00 0.00 H new ATOM 0 HG23 THR A 44 -23.275 -10.351 -3.535 1.00 0.00 H new ATOM 675 N VAL A 45 -23.481 -11.809 -0.545 1.00 0.00 N ATOM 676 CA VAL A 45 -24.563 -12.243 0.333 1.00 0.00 C ATOM 677 C VAL A 45 -25.738 -11.278 0.248 1.00 0.00 C ATOM 678 O VAL A 45 -25.567 -10.095 -0.046 1.00 0.00 O ATOM 679 CB VAL A 45 -24.066 -12.314 1.778 1.00 0.00 C ATOM 680 CG1 VAL A 45 -23.585 -10.932 2.221 1.00 0.00 C ATOM 681 CG2 VAL A 45 -25.208 -12.773 2.688 1.00 0.00 C ATOM 0 H VAL A 45 -23.307 -10.804 -0.533 1.00 0.00 H new ATOM 0 HA VAL A 45 -24.892 -13.231 0.012 1.00 0.00 H new ATOM 0 HB VAL A 45 -23.241 -13.023 1.844 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -23.231 -10.983 3.251 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -22.772 -10.605 1.573 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -24.409 -10.222 2.155 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -24.855 -12.824 3.718 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -26.033 -12.064 2.622 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -25.551 -13.759 2.373 1.00 0.00 H new ATOM 691 N ALA A 46 -26.936 -11.792 0.503 1.00 0.00 N ATOM 692 CA ALA A 46 -28.143 -10.969 0.455 1.00 0.00 C ATOM 693 C ALA A 46 -29.094 -11.369 1.573 1.00 0.00 C ATOM 694 O ALA A 46 -29.262 -12.552 1.871 1.00 0.00 O ATOM 695 CB ALA A 46 -28.840 -11.146 -0.895 1.00 0.00 C ATOM 0 H ALA A 46 -27.099 -12.770 0.744 1.00 0.00 H new ATOM 0 HA ALA A 46 -27.860 -9.924 0.582 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -29.739 -10.530 -0.924 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -28.165 -10.842 -1.695 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -29.113 -12.193 -1.029 1.00 0.00 H new ATOM 701 N VAL A 47 -29.715 -10.370 2.189 1.00 0.00 N ATOM 702 CA VAL A 47 -30.652 -10.613 3.279 1.00 0.00 C ATOM 703 C VAL A 47 -32.046 -10.867 2.721 1.00 0.00 C ATOM 704 O VAL A 47 -32.541 -10.101 1.898 1.00 0.00 O ATOM 705 CB VAL A 47 -30.690 -9.401 4.209 1.00 0.00 C ATOM 706 CG1 VAL A 47 -31.732 -9.621 5.303 1.00 0.00 C ATOM 707 CG2 VAL A 47 -29.315 -9.208 4.853 1.00 0.00 C ATOM 0 H VAL A 47 -29.587 -9.386 1.953 1.00 0.00 H new ATOM 0 HA VAL A 47 -30.323 -11.489 3.838 1.00 0.00 H new ATOM 0 HB VAL A 47 -30.953 -8.515 3.631 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -31.755 -8.754 5.963 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -32.713 -9.757 4.849 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -31.473 -10.509 5.879 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -29.342 -8.344 5.516 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -29.054 -10.097 5.426 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -28.569 -9.045 4.075 1.00 0.00 H new ATOM 717 N TYR A 48 -32.675 -11.947 3.177 1.00 0.00 N ATOM 718 CA TYR A 48 -34.018 -12.301 2.718 1.00 0.00 C ATOM 719 C TYR A 48 -35.042 -12.040 3.814 1.00 0.00 C ATOM 720 O TYR A 48 -34.830 -12.387 4.976 1.00 0.00 O ATOM 721 CB TYR A 48 -34.061 -13.781 2.335 1.00 0.00 C ATOM 722 CG TYR A 48 -33.196 -14.011 1.119 1.00 0.00 C ATOM 723 CD1 TYR A 48 -31.850 -14.363 1.272 1.00 0.00 C ATOM 724 CD2 TYR A 48 -33.744 -13.872 -0.162 1.00 0.00 C ATOM 725 CE1 TYR A 48 -31.051 -14.578 0.141 1.00 0.00 C ATOM 726 CE2 TYR A 48 -32.944 -14.086 -1.291 1.00 0.00 C ATOM 727 CZ TYR A 48 -31.599 -14.439 -1.138 1.00 0.00 C ATOM 728 OH TYR A 48 -30.812 -14.650 -2.253 1.00 0.00 O ATOM 0 H TYR A 48 -32.279 -12.591 3.862 1.00 0.00 H new ATOM 0 HA TYR A 48 -34.259 -11.687 1.850 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -33.710 -14.393 3.166 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -35.087 -14.084 2.127 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -31.428 -14.469 2.260 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -34.783 -13.600 -0.279 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -30.013 -14.851 0.257 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -33.365 -13.979 -2.280 1.00 0.00 H new ATOM 0 HH TYR A 48 -31.348 -14.513 -3.062 1.00 0.00 H new ATOM 738 N PHE A 49 -36.154 -11.419 3.433 1.00 0.00 N ATOM 739 CA PHE A 49 -37.217 -11.105 4.381 1.00 0.00 C ATOM 740 C PHE A 49 -38.581 -11.240 3.713 1.00 0.00 C ATOM 741 O PHE A 49 -38.815 -10.685 2.640 1.00 0.00 O ATOM 742 CB PHE A 49 -37.035 -9.680 4.910 1.00 0.00 C ATOM 743 CG PHE A 49 -38.209 -9.313 5.790 1.00 0.00 C ATOM 744 CD1 PHE A 49 -38.291 -9.811 7.096 1.00 0.00 C ATOM 745 CD2 PHE A 49 -39.218 -8.480 5.293 1.00 0.00 C ATOM 746 CE1 PHE A 49 -39.384 -9.473 7.904 1.00 0.00 C ATOM 747 CE2 PHE A 49 -40.309 -8.142 6.102 1.00 0.00 C ATOM 748 CZ PHE A 49 -40.392 -8.639 7.407 1.00 0.00 C ATOM 0 H PHE A 49 -36.342 -11.124 2.475 1.00 0.00 H new ATOM 0 HA PHE A 49 -37.165 -11.807 5.213 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -36.106 -9.607 5.476 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -36.958 -8.979 4.079 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -37.513 -10.454 7.480 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -39.155 -8.098 4.285 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -39.449 -9.856 8.912 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -41.086 -7.498 5.719 1.00 0.00 H new ATOM 0 HZ PHE A 49 -41.234 -8.379 8.031 1.00 0.00 H new ATOM 758 N LYS A 50 -39.477 -11.972 4.361 1.00 0.00 N ATOM 759 CA LYS A 50 -40.819 -12.171 3.830 1.00 0.00 C ATOM 760 C LYS A 50 -40.756 -12.761 2.422 1.00 0.00 C ATOM 761 O LYS A 50 -41.717 -12.672 1.660 1.00 0.00 O ATOM 762 CB LYS A 50 -41.569 -10.820 3.809 1.00 0.00 C ATOM 763 CG LYS A 50 -43.031 -11.002 4.260 1.00 0.00 C ATOM 764 CD LYS A 50 -43.104 -10.995 5.791 1.00 0.00 C ATOM 765 CE LYS A 50 -44.515 -11.372 6.241 1.00 0.00 C ATOM 766 NZ LYS A 50 -44.721 -12.835 6.051 1.00 0.00 N ATOM 0 H LYS A 50 -39.300 -12.436 5.252 1.00 0.00 H new ATOM 0 HA LYS A 50 -41.354 -12.872 4.470 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -41.067 -10.109 4.465 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -41.543 -10.399 2.804 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -43.649 -10.202 3.853 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -43.427 -11.940 3.872 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -42.380 -11.699 6.202 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -42.842 -10.008 6.173 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -44.658 -11.107 7.289 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -45.253 -10.812 5.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -45.544 -13.145 6.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -44.889 -13.034 5.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -43.875 -13.349 6.369 1.00 0.00 H new ATOM 780 N GLY A 51 -39.620 -13.361 2.084 1.00 0.00 N ATOM 781 CA GLY A 51 -39.451 -13.957 0.762 1.00 0.00 C ATOM 782 C GLY A 51 -38.997 -12.912 -0.248 1.00 0.00 C ATOM 783 O GLY A 51 -39.019 -13.154 -1.455 1.00 0.00 O ATOM 0 H GLY A 51 -38.810 -13.448 2.698 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -38.719 -14.763 0.812 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -40.391 -14.401 0.435 1.00 0.00 H new ATOM 787 N GLU A 52 -38.584 -11.744 0.247 1.00 0.00 N ATOM 788 CA GLU A 52 -38.127 -10.662 -0.629 1.00 0.00 C ATOM 789 C GLU A 52 -36.843 -10.047 -0.075 1.00 0.00 C ATOM 790 O GLU A 52 -36.757 -9.721 1.109 1.00 0.00 O ATOM 791 CB GLU A 52 -39.212 -9.583 -0.741 1.00 0.00 C ATOM 792 CG GLU A 52 -38.791 -8.517 -1.760 1.00 0.00 C ATOM 793 CD GLU A 52 -38.674 -9.140 -3.149 1.00 0.00 C ATOM 794 OE1 GLU A 52 -39.306 -10.160 -3.372 1.00 0.00 O ATOM 795 OE2 GLU A 52 -37.947 -8.595 -3.962 1.00 0.00 O ATOM 0 H GLU A 52 -38.556 -11.523 1.242 1.00 0.00 H new ATOM 0 HA GLU A 52 -37.928 -11.072 -1.619 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -40.156 -10.035 -1.045 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -39.379 -9.121 0.232 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -39.522 -7.708 -1.775 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -37.837 -8.079 -1.467 1.00 0.00 H new ATOM 802 N ARG A 53 -35.846 -9.901 -0.943 1.00 0.00 N ATOM 803 CA ARG A 53 -34.570 -9.336 -0.545 1.00 0.00 C ATOM 804 C ARG A 53 -34.734 -7.875 -0.178 1.00 0.00 C ATOM 805 O ARG A 53 -35.480 -7.144 -0.832 1.00 0.00 O ATOM 806 CB ARG A 53 -33.561 -9.479 -1.686 1.00 0.00 C ATOM 807 CG ARG A 53 -33.175 -10.952 -1.847 1.00 0.00 C ATOM 808 CD ARG A 53 -32.110 -11.074 -2.937 1.00 0.00 C ATOM 809 NE ARG A 53 -32.695 -10.740 -4.234 1.00 0.00 N ATOM 810 CZ ARG A 53 -32.573 -9.524 -4.771 1.00 0.00 C ATOM 811 NH1 ARG A 53 -33.092 -9.278 -5.939 1.00 0.00 N ATOM 812 NH2 ARG A 53 -31.953 -8.575 -4.121 1.00 0.00 N ATOM 0 H ARG A 53 -35.902 -10.168 -1.926 1.00 0.00 H new ATOM 0 HA ARG A 53 -34.202 -9.876 0.328 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -33.990 -9.101 -2.614 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -32.674 -8.881 -1.478 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -32.795 -11.346 -0.904 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -34.052 -11.544 -2.110 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -31.276 -10.407 -2.721 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -31.710 -12.088 -2.957 1.00 0.00 H new ATOM 0 HE ARG A 53 -33.211 -11.457 -4.744 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -33.590 -10.013 -6.441 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -33.001 -8.350 -6.352 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -31.559 -8.762 -3.199 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -31.863 -7.648 -4.536 1.00 0.00 H new ATOM 826 N ILE A 54 -34.037 -7.447 0.875 1.00 0.00 N ATOM 827 CA ILE A 54 -34.117 -6.057 1.326 1.00 0.00 C ATOM 828 C ILE A 54 -32.759 -5.366 1.231 1.00 0.00 C ATOM 829 O ILE A 54 -32.671 -4.141 1.306 1.00 0.00 O ATOM 830 CB ILE A 54 -34.612 -6.014 2.776 1.00 0.00 C ATOM 831 CG1 ILE A 54 -33.669 -6.829 3.675 1.00 0.00 C ATOM 832 CG2 ILE A 54 -36.020 -6.604 2.847 1.00 0.00 C ATOM 833 CD1 ILE A 54 -34.071 -6.651 5.144 1.00 0.00 C ATOM 0 H ILE A 54 -33.415 -8.037 1.428 1.00 0.00 H new ATOM 0 HA ILE A 54 -34.816 -5.529 0.678 1.00 0.00 H new ATOM 0 HB ILE A 54 -34.629 -4.980 3.120 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -33.712 -7.883 3.402 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -32.639 -6.503 3.528 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -36.375 -6.575 3.877 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -36.691 -6.022 2.215 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -36.000 -7.637 2.499 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -33.400 -7.231 5.778 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -34.005 -5.597 5.414 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -35.094 -6.999 5.286 1.00 0.00 H new ATOM 845 N GLY A 55 -31.705 -6.159 1.067 1.00 0.00 N ATOM 846 CA GLY A 55 -30.356 -5.613 0.969 1.00 0.00 C ATOM 847 C GLY A 55 -29.404 -6.643 0.374 1.00 0.00 C ATOM 848 O GLY A 55 -29.482 -7.832 0.688 1.00 0.00 O ATOM 0 H GLY A 55 -31.758 -7.175 1.000 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -30.365 -4.717 0.349 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -30.006 -5.314 1.957 1.00 0.00 H new ATOM 852 N CYS A 56 -28.499 -6.181 -0.485 1.00 0.00 N ATOM 853 CA CYS A 56 -27.531 -7.068 -1.124 1.00 0.00 C ATOM 854 C CYS A 56 -26.211 -6.340 -1.341 1.00 0.00 C ATOM 855 O CYS A 56 -26.189 -5.207 -1.822 1.00 0.00 O ATOM 856 CB CYS A 56 -28.078 -7.551 -2.469 1.00 0.00 C ATOM 857 SG CYS A 56 -29.718 -8.277 -2.223 1.00 0.00 S ATOM 0 H CYS A 56 -28.416 -5.201 -0.754 1.00 0.00 H new ATOM 0 HA CYS A 56 -27.360 -7.926 -0.474 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -28.138 -6.719 -3.170 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -27.403 -8.288 -2.905 1.00 0.00 H new ATOM 0 HG CYS A 56 -29.950 -8.404 -0.950 1.00 0.00 H new ATOM 863 N GLY A 57 -25.111 -6.995 -0.987 1.00 0.00 N ATOM 864 CA GLY A 57 -23.791 -6.397 -1.153 1.00 0.00 C ATOM 865 C GLY A 57 -22.718 -7.472 -1.251 1.00 0.00 C ATOM 866 O GLY A 57 -22.981 -8.651 -1.012 1.00 0.00 O ATOM 0 H GLY A 57 -25.106 -7.933 -0.586 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -23.777 -5.780 -2.051 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -23.577 -5.739 -0.311 1.00 0.00 H new ATOM 870 N LYS A 58 -21.504 -7.057 -1.597 1.00 0.00 N ATOM 871 CA LYS A 58 -20.387 -7.990 -1.723 1.00 0.00 C ATOM 872 C LYS A 58 -19.085 -7.329 -1.277 1.00 0.00 C ATOM 873 O LYS A 58 -18.997 -6.106 -1.169 1.00 0.00 O ATOM 874 CB LYS A 58 -20.268 -8.480 -3.177 1.00 0.00 C ATOM 875 CG LYS A 58 -20.666 -7.363 -4.151 1.00 0.00 C ATOM 876 CD LYS A 58 -19.783 -6.130 -3.928 1.00 0.00 C ATOM 877 CE LYS A 58 -19.812 -5.237 -5.172 1.00 0.00 C ATOM 878 NZ LYS A 58 -18.983 -4.025 -4.930 1.00 0.00 N ATOM 0 H LYS A 58 -21.268 -6.085 -1.795 1.00 0.00 H new ATOM 0 HA LYS A 58 -20.576 -8.848 -1.078 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -19.245 -8.799 -3.378 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -20.908 -9.349 -3.328 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -20.564 -7.712 -5.178 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -21.714 -7.100 -4.007 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -20.135 -5.572 -3.061 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -18.760 -6.438 -3.715 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -19.433 -5.784 -6.035 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -20.838 -4.949 -5.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -19.002 -3.417 -5.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -19.364 -3.500 -4.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -18.003 -4.309 -4.730 1.00 0.00 H new ATOM 892 N GLY A 59 -18.075 -8.149 -1.009 1.00 0.00 N ATOM 893 CA GLY A 59 -16.787 -7.633 -0.569 1.00 0.00 C ATOM 894 C GLY A 59 -15.863 -8.766 -0.142 1.00 0.00 C ATOM 895 O GLY A 59 -16.151 -9.942 -0.373 1.00 0.00 O ATOM 0 H GLY A 59 -18.123 -9.165 -1.088 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -16.324 -7.065 -1.376 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -16.932 -6.944 0.263 1.00 0.00 H new ATOM 899 N PRO A 60 -14.762 -8.433 0.475 1.00 0.00 N ATOM 900 CA PRO A 60 -13.763 -9.436 0.953 1.00 0.00 C ATOM 901 C PRO A 60 -14.398 -10.498 1.851 1.00 0.00 C ATOM 902 O PRO A 60 -13.940 -11.640 1.899 1.00 0.00 O ATOM 903 CB PRO A 60 -12.749 -8.585 1.733 1.00 0.00 C ATOM 904 CG PRO A 60 -12.864 -7.222 1.133 1.00 0.00 C ATOM 905 CD PRO A 60 -14.341 -7.056 0.788 1.00 0.00 C ATOM 0 HA PRO A 60 -13.315 -9.997 0.133 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -12.979 -8.570 2.798 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -11.738 -8.980 1.631 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -12.535 -6.455 1.834 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -12.240 -7.130 0.244 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -14.907 -6.640 1.622 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -14.485 -6.387 -0.060 1.00 0.00 H new ATOM 913 N SER A 61 -15.451 -10.110 2.564 1.00 0.00 N ATOM 914 CA SER A 61 -16.135 -11.035 3.462 1.00 0.00 C ATOM 915 C SER A 61 -17.574 -10.588 3.702 1.00 0.00 C ATOM 916 O SER A 61 -17.948 -9.445 3.420 1.00 0.00 O ATOM 917 CB SER A 61 -15.392 -11.105 4.797 1.00 0.00 C ATOM 918 OG SER A 61 -15.513 -9.858 5.467 1.00 0.00 O ATOM 0 H SER A 61 -15.847 -9.170 2.539 1.00 0.00 H new ATOM 0 HA SER A 61 -16.148 -12.021 2.998 1.00 0.00 H new ATOM 0 HB2 SER A 61 -15.803 -11.904 5.414 1.00 0.00 H new ATOM 0 HB3 SER A 61 -14.341 -11.341 4.630 1.00 0.00 H new ATOM 0 HG SER A 61 -15.039 -9.900 6.324 1.00 0.00 H new ATOM 924 N LYS A 62 -18.380 -11.505 4.223 1.00 0.00 N ATOM 925 CA LYS A 62 -19.776 -11.210 4.498 1.00 0.00 C ATOM 926 C LYS A 62 -19.901 -10.088 5.524 1.00 0.00 C ATOM 927 O LYS A 62 -20.906 -9.390 5.570 1.00 0.00 O ATOM 928 CB LYS A 62 -20.470 -12.469 5.026 1.00 0.00 C ATOM 929 CG LYS A 62 -19.825 -12.904 6.353 1.00 0.00 C ATOM 930 CD LYS A 62 -20.067 -14.400 6.590 1.00 0.00 C ATOM 931 CE LYS A 62 -21.568 -14.673 6.692 1.00 0.00 C ATOM 932 NZ LYS A 62 -21.787 -16.107 7.037 1.00 0.00 N ATOM 0 H LYS A 62 -18.091 -12.454 4.462 1.00 0.00 H new ATOM 0 HA LYS A 62 -20.252 -10.886 3.572 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -21.532 -12.274 5.174 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -20.392 -13.272 4.293 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -18.755 -12.700 6.330 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -20.243 -12.325 7.177 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -19.637 -14.981 5.774 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -19.567 -14.718 7.505 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -22.015 -14.032 7.452 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -22.057 -14.436 5.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -22.807 -16.295 7.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -21.374 -16.709 6.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -21.333 -16.318 7.948 1.00 0.00 H new ATOM 946 N LYS A 63 -18.873 -9.922 6.346 1.00 0.00 N ATOM 947 CA LYS A 63 -18.894 -8.887 7.372 1.00 0.00 C ATOM 948 C LYS A 63 -19.149 -7.512 6.745 1.00 0.00 C ATOM 949 O LYS A 63 -20.113 -6.826 7.091 1.00 0.00 O ATOM 950 CB LYS A 63 -17.542 -8.885 8.112 1.00 0.00 C ATOM 951 CG LYS A 63 -17.728 -8.456 9.572 1.00 0.00 C ATOM 952 CD LYS A 63 -18.213 -7.009 9.620 1.00 0.00 C ATOM 953 CE LYS A 63 -18.120 -6.491 11.056 1.00 0.00 C ATOM 954 NZ LYS A 63 -18.554 -5.069 11.096 1.00 0.00 N ATOM 0 H LYS A 63 -18.022 -10.484 6.324 1.00 0.00 H new ATOM 0 HA LYS A 63 -19.700 -9.096 8.075 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -17.098 -9.880 8.073 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -16.849 -8.207 7.613 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -18.448 -9.109 10.065 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -16.787 -8.553 10.113 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -17.609 -6.389 8.958 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -19.242 -6.946 9.265 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -18.748 -7.093 11.713 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -17.097 -6.581 11.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -18.752 -4.794 12.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -17.799 -4.465 10.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -19.414 -4.952 10.524 1.00 0.00 H new ATOM 968 N GLN A 64 -18.283 -7.124 5.817 1.00 0.00 N ATOM 969 CA GLN A 64 -18.430 -5.839 5.146 1.00 0.00 C ATOM 970 C GLN A 64 -19.715 -5.804 4.333 1.00 0.00 C ATOM 971 O GLN A 64 -20.405 -4.786 4.288 1.00 0.00 O ATOM 972 CB GLN A 64 -17.231 -5.581 4.232 1.00 0.00 C ATOM 973 CG GLN A 64 -17.358 -4.190 3.612 1.00 0.00 C ATOM 974 CD GLN A 64 -16.098 -3.856 2.821 1.00 0.00 C ATOM 975 OE1 GLN A 64 -15.000 -4.256 3.206 1.00 0.00 O ATOM 976 NE2 GLN A 64 -16.192 -3.142 1.733 1.00 0.00 N ATOM 0 H GLN A 64 -17.479 -7.674 5.514 1.00 0.00 H new ATOM 0 HA GLN A 64 -18.475 -5.058 5.905 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -16.304 -5.655 4.800 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -17.187 -6.338 3.449 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -18.229 -4.152 2.958 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -17.514 -3.447 4.394 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -17.104 -2.812 1.417 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -15.354 -2.914 1.199 1.00 0.00 H new ATOM 985 N ALA A 65 -20.031 -6.922 3.686 1.00 0.00 N ATOM 986 CA ALA A 65 -21.238 -6.997 2.872 1.00 0.00 C ATOM 987 C ALA A 65 -22.482 -6.778 3.732 1.00 0.00 C ATOM 988 O ALA A 65 -23.411 -6.082 3.323 1.00 0.00 O ATOM 989 CB ALA A 65 -21.319 -8.358 2.182 1.00 0.00 C ATOM 0 H ALA A 65 -19.476 -7.777 3.709 1.00 0.00 H new ATOM 0 HA ALA A 65 -21.194 -6.212 2.117 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -22.224 -8.405 1.576 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -20.447 -8.494 1.543 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -21.344 -9.146 2.934 1.00 0.00 H new ATOM 995 N LYS A 66 -22.487 -7.367 4.925 1.00 0.00 N ATOM 996 CA LYS A 66 -23.618 -7.216 5.836 1.00 0.00 C ATOM 997 C LYS A 66 -23.829 -5.756 6.205 1.00 0.00 C ATOM 998 O LYS A 66 -24.962 -5.280 6.255 1.00 0.00 O ATOM 999 CB LYS A 66 -23.379 -8.033 7.113 1.00 0.00 C ATOM 1000 CG LYS A 66 -23.659 -9.510 6.844 1.00 0.00 C ATOM 1001 CD LYS A 66 -23.207 -10.341 8.048 1.00 0.00 C ATOM 1002 CE LYS A 66 -23.655 -11.790 7.866 1.00 0.00 C ATOM 1003 NZ LYS A 66 -25.138 -11.857 7.967 1.00 0.00 N ATOM 0 H LYS A 66 -21.728 -7.948 5.281 1.00 0.00 H new ATOM 0 HA LYS A 66 -24.510 -7.582 5.328 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -22.351 -7.904 7.451 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -24.025 -7.671 7.913 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -24.723 -9.662 6.662 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -23.132 -9.834 5.946 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -22.123 -10.295 8.148 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -23.630 -9.931 8.965 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -23.327 -12.166 6.897 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -23.197 -12.423 8.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -25.413 -12.733 8.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -25.487 -11.037 8.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -25.552 -11.848 7.013 1.00 0.00 H new ATOM 1017 N MET A 67 -22.739 -5.053 6.464 1.00 0.00 N ATOM 1018 CA MET A 67 -22.843 -3.650 6.834 1.00 0.00 C ATOM 1019 C MET A 67 -23.531 -2.861 5.726 1.00 0.00 C ATOM 1020 O MET A 67 -24.469 -2.104 5.983 1.00 0.00 O ATOM 1021 CB MET A 67 -21.450 -3.077 7.091 1.00 0.00 C ATOM 1022 CG MET A 67 -21.567 -1.610 7.510 1.00 0.00 C ATOM 1023 SD MET A 67 -19.936 -0.992 8.000 1.00 0.00 S ATOM 1024 CE MET A 67 -19.158 -1.024 6.366 1.00 0.00 C ATOM 0 H MET A 67 -21.788 -5.421 6.426 1.00 0.00 H new ATOM 0 HA MET A 67 -23.438 -3.570 7.744 1.00 0.00 H new ATOM 0 HB2 MET A 67 -20.949 -3.650 7.871 1.00 0.00 H new ATOM 0 HB3 MET A 67 -20.840 -3.161 6.192 1.00 0.00 H new ATOM 0 HG2 MET A 67 -21.961 -1.015 6.686 1.00 0.00 H new ATOM 0 HG3 MET A 67 -22.269 -1.512 8.338 1.00 0.00 H new ATOM 0 HE1 MET A 67 -18.332 -0.313 6.342 1.00 0.00 H new ATOM 0 HE2 MET A 67 -18.780 -2.026 6.162 1.00 0.00 H new ATOM 0 HE3 MET A 67 -19.893 -0.752 5.608 1.00 0.00 H new ATOM 1034 N GLY A 68 -23.069 -3.045 4.493 1.00 0.00 N ATOM 1035 CA GLY A 68 -23.661 -2.343 3.361 1.00 0.00 C ATOM 1036 C GLY A 68 -25.066 -2.854 3.059 1.00 0.00 C ATOM 1037 O GLY A 68 -25.982 -2.070 2.818 1.00 0.00 O ATOM 0 H GLY A 68 -22.296 -3.666 4.254 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -23.699 -1.275 3.574 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -23.030 -2.471 2.482 1.00 0.00 H new ATOM 1041 N ALA A 69 -25.231 -4.174 3.071 1.00 0.00 N ATOM 1042 CA ALA A 69 -26.531 -4.771 2.788 1.00 0.00 C ATOM 1043 C ALA A 69 -27.567 -4.355 3.828 1.00 0.00 C ATOM 1044 O ALA A 69 -28.682 -3.961 3.483 1.00 0.00 O ATOM 1045 CB ALA A 69 -26.408 -6.294 2.772 1.00 0.00 C ATOM 0 H ALA A 69 -24.489 -4.844 3.272 1.00 0.00 H new ATOM 0 HA ALA A 69 -26.862 -4.416 1.812 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -27.382 -6.735 2.560 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -25.698 -6.594 2.001 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -26.056 -6.641 3.744 1.00 0.00 H new ATOM 1051 N ALA A 70 -27.192 -4.445 5.100 1.00 0.00 N ATOM 1052 CA ALA A 70 -28.098 -4.075 6.181 1.00 0.00 C ATOM 1053 C ALA A 70 -28.450 -2.592 6.098 1.00 0.00 C ATOM 1054 O ALA A 70 -29.609 -2.205 6.242 1.00 0.00 O ATOM 1055 CB ALA A 70 -27.443 -4.386 7.528 1.00 0.00 C ATOM 0 H ALA A 70 -26.274 -4.768 5.406 1.00 0.00 H new ATOM 0 HA ALA A 70 -29.017 -4.653 6.086 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -28.121 -4.109 8.335 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -27.223 -5.452 7.588 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -26.517 -3.819 7.622 1.00 0.00 H new ATOM 1061 N MET A 71 -27.436 -1.771 5.857 1.00 0.00 N ATOM 1062 CA MET A 71 -27.627 -0.336 5.740 1.00 0.00 C ATOM 1063 C MET A 71 -28.535 -0.002 4.563 1.00 0.00 C ATOM 1064 O MET A 71 -29.351 0.916 4.643 1.00 0.00 O ATOM 1065 CB MET A 71 -26.276 0.361 5.585 1.00 0.00 C ATOM 1066 CG MET A 71 -26.484 1.878 5.567 1.00 0.00 C ATOM 1067 SD MET A 71 -24.879 2.712 5.496 1.00 0.00 S ATOM 1068 CE MET A 71 -25.504 4.412 5.544 1.00 0.00 C ATOM 0 H MET A 71 -26.471 -2.078 5.739 1.00 0.00 H new ATOM 0 HA MET A 71 -28.108 0.023 6.650 1.00 0.00 H new ATOM 0 HB2 MET A 71 -25.615 0.083 6.406 1.00 0.00 H new ATOM 0 HB3 MET A 71 -25.792 0.038 4.663 1.00 0.00 H new ATOM 0 HG2 MET A 71 -27.091 2.162 4.707 1.00 0.00 H new ATOM 0 HG3 MET A 71 -27.028 2.191 6.458 1.00 0.00 H new ATOM 0 HE1 MET A 71 -24.666 5.109 5.510 1.00 0.00 H new ATOM 0 HE2 MET A 71 -26.155 4.585 4.687 1.00 0.00 H new ATOM 0 HE3 MET A 71 -26.067 4.567 6.464 1.00 0.00 H new ATOM 1078 N ASP A 72 -28.387 -0.740 3.464 1.00 0.00 N ATOM 1079 CA ASP A 72 -29.201 -0.486 2.283 1.00 0.00 C ATOM 1080 C ASP A 72 -30.680 -0.648 2.612 1.00 0.00 C ATOM 1081 O ASP A 72 -31.500 0.199 2.254 1.00 0.00 O ATOM 1082 CB ASP A 72 -28.815 -1.473 1.181 1.00 0.00 C ATOM 1083 CG ASP A 72 -27.435 -1.132 0.631 1.00 0.00 C ATOM 1084 OD1 ASP A 72 -26.957 -0.047 0.918 1.00 0.00 O ATOM 1085 OD2 ASP A 72 -26.875 -1.961 -0.066 1.00 0.00 O ATOM 0 H ASP A 72 -27.721 -1.507 3.369 1.00 0.00 H new ATOM 0 HA ASP A 72 -29.025 0.535 1.946 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -28.817 -2.489 1.575 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -29.553 -1.441 0.379 1.00 0.00 H new ATOM 1090 N ALA A 73 -31.019 -1.727 3.308 1.00 0.00 N ATOM 1091 CA ALA A 73 -32.405 -1.964 3.690 1.00 0.00 C ATOM 1092 C ALA A 73 -32.888 -0.884 4.651 1.00 0.00 C ATOM 1093 O ALA A 73 -34.016 -0.406 4.551 1.00 0.00 O ATOM 1094 CB ALA A 73 -32.547 -3.333 4.349 1.00 0.00 C ATOM 0 H ALA A 73 -30.362 -2.444 3.616 1.00 0.00 H new ATOM 0 HA ALA A 73 -33.016 -1.935 2.787 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -33.588 -3.496 4.629 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -32.234 -4.108 3.649 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -31.921 -3.374 5.240 1.00 0.00 H new ATOM 1100 N LEU A 74 -32.025 -0.510 5.590 1.00 0.00 N ATOM 1101 CA LEU A 74 -32.376 0.507 6.575 1.00 0.00 C ATOM 1102 C LEU A 74 -32.717 1.820 5.885 1.00 0.00 C ATOM 1103 O LEU A 74 -33.709 2.466 6.221 1.00 0.00 O ATOM 1104 CB LEU A 74 -31.211 0.713 7.547 1.00 0.00 C ATOM 1105 CG LEU A 74 -31.557 1.792 8.583 1.00 0.00 C ATOM 1106 CD1 LEU A 74 -32.781 1.360 9.406 1.00 0.00 C ATOM 1107 CD2 LEU A 74 -30.352 1.995 9.509 1.00 0.00 C ATOM 0 H LEU A 74 -31.085 -0.892 5.690 1.00 0.00 H new ATOM 0 HA LEU A 74 -33.251 0.169 7.131 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -30.982 -0.225 8.053 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -30.317 1.004 6.995 1.00 0.00 H new ATOM 0 HG LEU A 74 -31.793 2.726 8.073 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -33.018 2.132 10.138 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -33.633 1.215 8.742 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -32.561 0.426 9.923 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -30.587 2.760 10.249 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -30.121 1.058 10.016 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -29.491 2.312 8.921 1.00 0.00 H new ATOM 1119 N GLU A 75 -31.891 2.214 4.924 1.00 0.00 N ATOM 1120 CA GLU A 75 -32.128 3.457 4.205 1.00 0.00 C ATOM 1121 C GLU A 75 -33.432 3.378 3.417 1.00 0.00 C ATOM 1122 O GLU A 75 -34.193 4.344 3.358 1.00 0.00 O ATOM 1123 CB GLU A 75 -30.964 3.739 3.254 1.00 0.00 C ATOM 1124 CG GLU A 75 -29.712 4.081 4.064 1.00 0.00 C ATOM 1125 CD GLU A 75 -29.880 5.444 4.728 1.00 0.00 C ATOM 1126 OE1 GLU A 75 -30.791 6.159 4.345 1.00 0.00 O ATOM 1127 OE2 GLU A 75 -29.093 5.752 5.609 1.00 0.00 O ATOM 0 H GLU A 75 -31.062 1.698 4.628 1.00 0.00 H new ATOM 0 HA GLU A 75 -32.206 4.268 4.929 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -30.776 2.869 2.625 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -31.216 4.565 2.589 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -29.538 3.317 4.821 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -28.838 4.089 3.413 1.00 0.00 H new ATOM 1134 N LYS A 76 -33.684 2.219 2.817 1.00 0.00 N ATOM 1135 CA LYS A 76 -34.902 2.019 2.038 1.00 0.00 C ATOM 1136 C LYS A 76 -36.106 1.829 2.957 1.00 0.00 C ATOM 1137 O LYS A 76 -37.252 2.012 2.546 1.00 0.00 O ATOM 1138 CB LYS A 76 -34.744 0.795 1.137 1.00 0.00 C ATOM 1139 CG LYS A 76 -33.706 1.092 0.056 1.00 0.00 C ATOM 1140 CD LYS A 76 -33.540 -0.133 -0.844 1.00 0.00 C ATOM 1141 CE LYS A 76 -32.559 0.188 -1.972 1.00 0.00 C ATOM 1142 NZ LYS A 76 -31.214 0.478 -1.397 1.00 0.00 N ATOM 0 H LYS A 76 -33.066 1.409 2.854 1.00 0.00 H new ATOM 0 HA LYS A 76 -35.070 2.904 1.425 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -34.434 -0.067 1.727 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -35.700 0.541 0.679 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -34.019 1.952 -0.537 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -32.752 1.351 0.515 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -33.175 -0.978 -0.261 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -34.505 -0.425 -1.259 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -32.497 -0.652 -2.664 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -32.914 1.046 -2.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -30.493 0.395 -2.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -31.203 1.443 -1.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -31.007 -0.202 -0.638 1.00 0.00 H new ATOM 1156 N TYR A 77 -35.833 1.461 4.204 1.00 0.00 N ATOM 1157 CA TYR A 77 -36.891 1.247 5.183 1.00 0.00 C ATOM 1158 C TYR A 77 -37.867 0.174 4.694 1.00 0.00 C ATOM 1159 O TYR A 77 -38.790 0.460 3.934 1.00 0.00 O ATOM 1160 CB TYR A 77 -37.641 2.568 5.441 1.00 0.00 C ATOM 1161 CG TYR A 77 -38.138 2.610 6.870 1.00 0.00 C ATOM 1162 CD1 TYR A 77 -37.402 3.291 7.847 1.00 0.00 C ATOM 1163 CD2 TYR A 77 -39.328 1.964 7.215 1.00 0.00 C ATOM 1164 CE1 TYR A 77 -37.857 3.322 9.169 1.00 0.00 C ATOM 1165 CE2 TYR A 77 -39.784 1.996 8.538 1.00 0.00 C ATOM 1166 CZ TYR A 77 -39.050 2.676 9.516 1.00 0.00 C ATOM 1167 OH TYR A 77 -39.498 2.708 10.820 1.00 0.00 O ATOM 0 H TYR A 77 -34.890 1.305 4.560 1.00 0.00 H new ATOM 0 HA TYR A 77 -36.441 0.904 6.115 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -36.980 3.414 5.252 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -38.481 2.660 4.752 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -36.483 3.792 7.580 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -39.896 1.440 6.461 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -37.288 3.845 9.923 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -40.703 1.495 8.804 1.00 0.00 H new ATOM 0 HH TYR A 77 -40.340 2.212 10.889 1.00 0.00 H new ATOM 1177 N ASN A 78 -37.651 -1.059 5.142 1.00 0.00 N ATOM 1178 CA ASN A 78 -38.512 -2.170 4.754 1.00 0.00 C ATOM 1179 C ASN A 78 -39.794 -2.170 5.579 1.00 0.00 C ATOM 1180 O ASN A 78 -39.795 -1.768 6.743 1.00 0.00 O ATOM 1181 CB ASN A 78 -37.777 -3.497 4.951 1.00 0.00 C ATOM 1182 CG ASN A 78 -37.487 -3.710 6.431 1.00 0.00 C ATOM 1183 OD1 ASN A 78 -37.725 -2.817 7.246 1.00 0.00 O ATOM 1184 ND2 ASN A 78 -36.983 -4.845 6.832 1.00 0.00 N ATOM 0 H ASN A 78 -36.890 -1.313 5.772 1.00 0.00 H new ATOM 0 HA ASN A 78 -38.771 -2.051 3.702 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -38.382 -4.319 4.567 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -36.846 -3.495 4.385 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -36.785 -4.994 7.822 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -36.787 -5.583 6.156 1.00 0.00 H new ATOM 1191 N PHE A 79 -40.883 -2.616 4.966 1.00 0.00 N ATOM 1192 CA PHE A 79 -42.171 -2.657 5.648 1.00 0.00 C ATOM 1193 C PHE A 79 -42.477 -1.307 6.295 1.00 0.00 C ATOM 1194 O PHE A 79 -42.688 -1.222 7.506 1.00 0.00 O ATOM 1195 CB PHE A 79 -42.156 -3.760 6.714 1.00 0.00 C ATOM 1196 CG PHE A 79 -43.573 -4.144 7.079 1.00 0.00 C ATOM 1197 CD1 PHE A 79 -44.277 -5.046 6.272 1.00 0.00 C ATOM 1198 CD2 PHE A 79 -44.179 -3.601 8.218 1.00 0.00 C ATOM 1199 CE1 PHE A 79 -45.588 -5.405 6.604 1.00 0.00 C ATOM 1200 CE2 PHE A 79 -45.491 -3.961 8.550 1.00 0.00 C ATOM 1201 CZ PHE A 79 -46.196 -4.862 7.743 1.00 0.00 C ATOM 0 H PHE A 79 -40.901 -2.953 4.003 1.00 0.00 H new ATOM 0 HA PHE A 79 -42.950 -2.873 4.917 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -41.619 -4.632 6.340 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -41.624 -3.414 7.600 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -43.808 -5.464 5.394 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -43.635 -2.905 8.840 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -46.131 -6.101 5.982 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -45.959 -3.543 9.429 1.00 0.00 H new ATOM 0 HZ PHE A 79 -47.208 -5.138 7.999 1.00 0.00 H new