USER MOD reduce.3.24.130724 H: found=0, std=0, add=590, rem=0, adj=16 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 33 THR OG1 : rot -92:sc= 1.78 USER MOD Set 1.2: A 35 SER OG : rot -49:sc= 1.37 USER MOD Set 1.3: A 63 THR OG1 : rot -157:sc= 0.329 USER MOD Single : A 5 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 6 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.125) USER MOD Single : A 10 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0126) USER MOD Single : A 12 LYS NZ :NH3+ -168:sc=-0.00622 (180deg=-0.18) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 HIS : no HD1:sc= -4.55! C(o=-4.5!,f=-7.2!) USER MOD Single : A 22 SER OG : rot 79:sc= -0.601 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 159:sc= -2.64 (180deg=-3.91!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc=-0.00378 K(o=-0.0038,f=-1.6!) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 7:sc= 1.12 USER MOD Single : A 50 HIS : no HE2:sc= -3.16! C(o=-3.2!,f=-3.3!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot -160:sc= -1.1 USER MOD Single : A 62 LYS NZ :NH3+ -164:sc= -0.015 (180deg=-0.295) USER MOD Single : A 68 MET CE :methyl -163:sc= -3.93! (180deg=-4.55!) USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=-0.001) USER MOD ----------------------------------------------------------------- ATOM 45 N GLN A 5 -6.912 -26.605 -17.408 1.00 0.00 N ATOM 46 CA GLN A 5 -7.783 -27.172 -16.340 1.00 0.00 C ATOM 47 C GLN A 5 -7.443 -26.514 -15.001 1.00 0.00 C ATOM 48 O GLN A 5 -6.303 -26.190 -14.729 1.00 0.00 O ATOM 49 CB GLN A 5 -7.551 -28.681 -16.241 1.00 0.00 C ATOM 50 CG GLN A 5 -7.985 -29.351 -17.544 1.00 0.00 C ATOM 51 CD GLN A 5 -7.705 -30.853 -17.464 1.00 0.00 C ATOM 52 OE1 GLN A 5 -6.964 -31.300 -16.611 1.00 0.00 O ATOM 53 NE2 GLN A 5 -8.269 -31.657 -18.323 1.00 0.00 N ATOM 0 HA GLN A 5 -8.828 -26.980 -16.583 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -6.498 -28.886 -16.048 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -8.114 -29.092 -15.403 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -9.047 -29.177 -17.719 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -7.448 -28.915 -18.386 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -8.891 -31.283 -19.039 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -8.088 -32.660 -18.278 1.00 0.00 H new ATOM 62 N LYS A 6 -8.423 -26.313 -14.163 1.00 0.00 N ATOM 63 CA LYS A 6 -8.156 -25.675 -12.843 1.00 0.00 C ATOM 64 C LYS A 6 -8.847 -26.479 -11.739 1.00 0.00 C ATOM 65 O LYS A 6 -9.744 -27.258 -11.994 1.00 0.00 O ATOM 66 CB LYS A 6 -8.699 -24.245 -12.847 1.00 0.00 C ATOM 67 CG LYS A 6 -10.229 -24.283 -12.868 1.00 0.00 C ATOM 68 CD LYS A 6 -10.774 -22.859 -12.993 1.00 0.00 C ATOM 69 CE LYS A 6 -12.276 -22.860 -12.703 1.00 0.00 C ATOM 70 NZ LYS A 6 -12.983 -23.650 -13.750 1.00 0.00 N ATOM 0 H LYS A 6 -9.397 -26.563 -14.335 1.00 0.00 H new ATOM 0 HA LYS A 6 -7.082 -25.655 -12.661 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -8.350 -23.709 -11.965 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -8.326 -23.705 -13.717 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -10.577 -24.891 -13.703 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -10.604 -24.749 -11.957 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -10.259 -22.199 -12.296 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -10.587 -22.473 -13.995 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -12.467 -23.287 -11.719 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -12.655 -21.838 -12.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -14.007 -23.486 -13.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -12.652 -23.354 -14.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -12.783 -24.662 -13.615 1.00 0.00 H new ATOM 84 N ILE A 7 -8.440 -26.296 -10.513 1.00 0.00 N ATOM 85 CA ILE A 7 -9.076 -27.048 -9.395 1.00 0.00 C ATOM 86 C ILE A 7 -9.719 -26.061 -8.418 1.00 0.00 C ATOM 87 O ILE A 7 -9.184 -25.004 -8.148 1.00 0.00 O ATOM 88 CB ILE A 7 -8.015 -27.872 -8.664 1.00 0.00 C ATOM 89 CG1 ILE A 7 -7.175 -28.638 -9.688 1.00 0.00 C ATOM 90 CG2 ILE A 7 -8.698 -28.860 -7.716 1.00 0.00 C ATOM 91 CD1 ILE A 7 -7.996 -29.791 -10.266 1.00 0.00 C ATOM 0 H ILE A 7 -7.694 -25.658 -10.237 1.00 0.00 H new ATOM 0 HA ILE A 7 -9.840 -27.715 -9.794 1.00 0.00 H new ATOM 0 HB ILE A 7 -7.370 -27.209 -8.088 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -6.858 -27.968 -10.487 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -6.271 -29.023 -9.217 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -7.941 -29.447 -7.195 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -9.296 -28.312 -6.988 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -9.344 -29.526 -8.288 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -7.396 -30.335 -10.995 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -8.291 -30.466 -9.463 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -8.887 -29.395 -10.753 1.00 0.00 H new ATOM 103 N ARG A 8 -10.863 -26.395 -7.887 1.00 0.00 N ATOM 104 CA ARG A 8 -11.535 -25.472 -6.930 1.00 0.00 C ATOM 105 C ARG A 8 -11.836 -26.217 -5.627 1.00 0.00 C ATOM 106 O ARG A 8 -12.444 -27.269 -5.627 1.00 0.00 O ATOM 107 CB ARG A 8 -12.843 -24.967 -7.541 1.00 0.00 C ATOM 108 CG ARG A 8 -12.533 -24.102 -8.764 1.00 0.00 C ATOM 109 CD ARG A 8 -13.823 -23.452 -9.268 1.00 0.00 C ATOM 110 NE ARG A 8 -14.837 -24.509 -9.543 1.00 0.00 N ATOM 111 CZ ARG A 8 -16.090 -24.185 -9.710 1.00 0.00 C ATOM 112 NH1 ARG A 8 -16.500 -23.741 -10.867 1.00 0.00 N ATOM 113 NH2 ARG A 8 -16.931 -24.303 -8.721 1.00 0.00 N ATOM 0 H ARG A 8 -11.361 -27.266 -8.074 1.00 0.00 H new ATOM 0 HA ARG A 8 -10.880 -24.626 -6.722 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -13.472 -25.810 -7.828 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -13.401 -24.389 -6.805 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -11.804 -23.335 -8.505 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -12.089 -24.711 -9.551 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -14.204 -22.752 -8.525 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -13.624 -22.879 -10.174 1.00 0.00 H new ATOM 0 HE ARG A 8 -14.551 -25.486 -9.601 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -15.841 -23.647 -11.640 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -17.479 -23.488 -10.998 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -16.610 -24.649 -7.817 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -17.910 -24.050 -8.851 1.00 0.00 H new ATOM 127 N ILE A 9 -11.416 -25.677 -4.516 1.00 0.00 N ATOM 128 CA ILE A 9 -11.679 -26.351 -3.213 1.00 0.00 C ATOM 129 C ILE A 9 -12.609 -25.478 -2.368 1.00 0.00 C ATOM 130 O ILE A 9 -12.440 -24.278 -2.281 1.00 0.00 O ATOM 131 CB ILE A 9 -10.356 -26.557 -2.472 1.00 0.00 C ATOM 132 CG1 ILE A 9 -9.396 -27.359 -3.353 1.00 0.00 C ATOM 133 CG2 ILE A 9 -10.614 -27.320 -1.171 1.00 0.00 C ATOM 134 CD1 ILE A 9 -8.035 -27.461 -2.662 1.00 0.00 C ATOM 0 H ILE A 9 -10.902 -24.798 -4.454 1.00 0.00 H new ATOM 0 HA ILE A 9 -12.150 -27.318 -3.390 1.00 0.00 H new ATOM 0 HB ILE A 9 -9.913 -25.588 -2.243 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -9.799 -28.355 -3.535 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -9.288 -26.876 -4.324 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -9.672 -27.467 -0.643 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -11.297 -26.748 -0.543 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -11.057 -28.289 -1.399 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -7.350 -28.032 -3.289 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -7.632 -26.461 -2.503 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -8.151 -27.963 -1.701 1.00 0.00 H new ATOM 146 N LYS A 10 -13.592 -26.070 -1.747 1.00 0.00 N ATOM 147 CA LYS A 10 -14.533 -25.271 -0.911 1.00 0.00 C ATOM 148 C LYS A 10 -14.225 -25.500 0.570 1.00 0.00 C ATOM 149 O LYS A 10 -14.159 -26.620 1.035 1.00 0.00 O ATOM 150 CB LYS A 10 -15.969 -25.703 -1.206 1.00 0.00 C ATOM 151 CG LYS A 10 -16.381 -25.198 -2.589 1.00 0.00 C ATOM 152 CD LYS A 10 -17.850 -25.543 -2.842 1.00 0.00 C ATOM 153 CE LYS A 10 -18.201 -25.242 -4.301 1.00 0.00 C ATOM 154 NZ LYS A 10 -18.478 -23.785 -4.455 1.00 0.00 N ATOM 0 H LYS A 10 -13.784 -27.071 -1.782 1.00 0.00 H new ATOM 0 HA LYS A 10 -14.416 -24.213 -1.145 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -16.049 -26.789 -1.166 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -16.643 -25.306 -0.447 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -16.233 -24.120 -2.653 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -15.753 -25.652 -3.355 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -18.030 -26.595 -2.623 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -18.490 -24.965 -2.176 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -17.379 -25.538 -4.952 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -19.072 -25.823 -4.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -18.650 -23.568 -5.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -19.318 -23.530 -3.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -17.660 -23.239 -4.118 1.00 0.00 H new ATOM 168 N LEU A 11 -14.038 -24.444 1.316 1.00 0.00 N ATOM 169 CA LEU A 11 -13.737 -24.602 2.767 1.00 0.00 C ATOM 170 C LEU A 11 -15.005 -24.337 3.581 1.00 0.00 C ATOM 171 O LEU A 11 -15.721 -23.386 3.339 1.00 0.00 O ATOM 172 CB LEU A 11 -12.652 -23.602 3.174 1.00 0.00 C ATOM 173 CG LEU A 11 -11.376 -23.881 2.375 1.00 0.00 C ATOM 174 CD1 LEU A 11 -11.583 -23.452 0.920 1.00 0.00 C ATOM 175 CD2 LEU A 11 -10.213 -23.092 2.979 1.00 0.00 C ATOM 0 H LEU A 11 -14.081 -23.481 0.983 1.00 0.00 H new ATOM 0 HA LEU A 11 -13.387 -25.616 2.958 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -12.994 -22.583 2.990 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -12.450 -23.683 4.242 1.00 0.00 H new ATOM 0 HG LEU A 11 -11.149 -24.946 2.412 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -10.675 -23.650 0.350 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -12.412 -24.014 0.489 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -11.809 -22.386 0.884 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -9.304 -23.290 2.410 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -10.438 -22.026 2.942 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -10.066 -23.396 4.015 1.00 0.00 H new ATOM 187 N LYS A 12 -15.291 -25.170 4.542 1.00 0.00 N ATOM 188 CA LYS A 12 -16.514 -24.964 5.367 1.00 0.00 C ATOM 189 C LYS A 12 -16.120 -24.822 6.839 1.00 0.00 C ATOM 190 O LYS A 12 -15.309 -25.568 7.350 1.00 0.00 O ATOM 191 CB LYS A 12 -17.448 -26.165 5.203 1.00 0.00 C ATOM 192 CG LYS A 12 -17.900 -26.262 3.744 1.00 0.00 C ATOM 193 CD LYS A 12 -18.932 -27.383 3.604 1.00 0.00 C ATOM 194 CE LYS A 12 -19.274 -27.579 2.125 1.00 0.00 C ATOM 195 NZ LYS A 12 -20.016 -26.388 1.623 1.00 0.00 N ATOM 0 H LYS A 12 -14.731 -25.985 4.792 1.00 0.00 H new ATOM 0 HA LYS A 12 -17.024 -24.059 5.039 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -16.936 -27.081 5.498 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -18.313 -26.059 5.857 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -18.331 -25.314 3.422 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -17.044 -26.459 3.099 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -18.538 -28.309 4.023 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -19.832 -27.136 4.167 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -18.362 -27.723 1.546 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -19.878 -28.477 1.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -20.423 -26.601 0.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -20.779 -26.149 2.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -19.364 -25.582 1.541 1.00 0.00 H new ATOM 209 N ALA A 13 -16.689 -23.868 7.524 1.00 0.00 N ATOM 210 CA ALA A 13 -16.347 -23.677 8.962 1.00 0.00 C ATOM 211 C ALA A 13 -17.328 -22.687 9.593 1.00 0.00 C ATOM 212 O ALA A 13 -17.831 -21.794 8.938 1.00 0.00 O ATOM 213 CB ALA A 13 -14.924 -23.130 9.080 1.00 0.00 C ATOM 0 H ALA A 13 -17.376 -23.213 7.150 1.00 0.00 H new ATOM 0 HA ALA A 13 -16.412 -24.634 9.481 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -14.674 -22.990 10.132 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -14.225 -23.835 8.631 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -14.858 -22.174 8.561 1.00 0.00 H new ATOM 219 N TYR A 14 -17.605 -22.836 10.859 1.00 0.00 N ATOM 220 CA TYR A 14 -18.553 -21.902 11.529 1.00 0.00 C ATOM 221 C TYR A 14 -17.883 -20.538 11.709 1.00 0.00 C ATOM 222 O TYR A 14 -18.499 -19.506 11.534 1.00 0.00 O ATOM 223 CB TYR A 14 -18.940 -22.464 12.899 1.00 0.00 C ATOM 224 CG TYR A 14 -19.564 -23.827 12.727 1.00 0.00 C ATOM 225 CD1 TYR A 14 -20.911 -23.940 12.358 1.00 0.00 C ATOM 226 CD2 TYR A 14 -18.798 -24.980 12.937 1.00 0.00 C ATOM 227 CE1 TYR A 14 -21.489 -25.204 12.198 1.00 0.00 C ATOM 228 CE2 TYR A 14 -19.377 -26.244 12.778 1.00 0.00 C ATOM 229 CZ TYR A 14 -20.723 -26.357 12.408 1.00 0.00 C ATOM 230 OH TYR A 14 -21.295 -27.603 12.252 1.00 0.00 O ATOM 0 H TYR A 14 -17.216 -23.564 11.458 1.00 0.00 H new ATOM 0 HA TYR A 14 -19.447 -21.790 10.916 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -18.059 -22.534 13.537 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -19.640 -21.792 13.395 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -21.503 -23.051 12.197 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -17.760 -24.894 13.222 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -22.527 -25.290 11.912 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -18.786 -27.133 12.941 1.00 0.00 H new ATOM 0 HH TYR A 14 -20.626 -28.295 12.434 1.00 0.00 H new ATOM 240 N ASP A 15 -16.626 -20.526 12.057 1.00 0.00 N ATOM 241 CA ASP A 15 -15.917 -19.229 12.248 1.00 0.00 C ATOM 242 C ASP A 15 -15.220 -18.832 10.947 1.00 0.00 C ATOM 243 O ASP A 15 -14.363 -19.534 10.451 1.00 0.00 O ATOM 244 CB ASP A 15 -14.878 -19.377 13.360 1.00 0.00 C ATOM 245 CG ASP A 15 -14.266 -18.008 13.671 1.00 0.00 C ATOM 246 OD1 ASP A 15 -14.754 -17.027 13.134 1.00 0.00 O ATOM 247 OD2 ASP A 15 -13.320 -17.965 14.440 1.00 0.00 O ATOM 0 H ASP A 15 -16.059 -21.358 12.217 1.00 0.00 H new ATOM 0 HA ASP A 15 -16.637 -18.458 12.523 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -15.343 -19.791 14.255 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -14.099 -20.075 13.054 1.00 0.00 H new ATOM 252 N HIS A 16 -15.579 -17.707 10.390 1.00 0.00 N ATOM 253 CA HIS A 16 -14.935 -17.266 9.122 1.00 0.00 C ATOM 254 C HIS A 16 -13.452 -16.987 9.373 1.00 0.00 C ATOM 255 O HIS A 16 -12.606 -17.282 8.552 1.00 0.00 O ATOM 256 CB HIS A 16 -15.615 -15.989 8.621 1.00 0.00 C ATOM 257 CG HIS A 16 -15.353 -14.869 9.590 1.00 0.00 C ATOM 258 ND1 HIS A 16 -16.037 -14.752 10.788 1.00 0.00 N ATOM 259 CD2 HIS A 16 -14.483 -13.807 9.548 1.00 0.00 C ATOM 260 CE1 HIS A 16 -15.572 -13.655 11.415 1.00 0.00 C ATOM 261 NE2 HIS A 16 -14.623 -13.043 10.703 1.00 0.00 N ATOM 0 H HIS A 16 -16.290 -17.075 10.759 1.00 0.00 H new ATOM 0 HA HIS A 16 -15.036 -18.051 8.372 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -15.236 -15.726 7.633 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -16.688 -16.152 8.518 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -13.795 -13.597 8.742 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -15.924 -13.312 12.377 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -14.110 -12.197 10.952 1.00 0.00 H new ATOM 269 N GLU A 17 -13.128 -16.423 10.505 1.00 0.00 N ATOM 270 CA GLU A 17 -11.700 -16.127 10.809 1.00 0.00 C ATOM 271 C GLU A 17 -10.897 -17.428 10.798 1.00 0.00 C ATOM 272 O GLU A 17 -9.769 -17.470 10.346 1.00 0.00 O ATOM 273 CB GLU A 17 -11.595 -15.477 12.190 1.00 0.00 C ATOM 274 CG GLU A 17 -12.369 -14.157 12.192 1.00 0.00 C ATOM 275 CD GLU A 17 -12.167 -13.450 13.533 1.00 0.00 C ATOM 276 OE1 GLU A 17 -11.634 -14.076 14.436 1.00 0.00 O ATOM 277 OE2 GLU A 17 -12.548 -12.296 13.637 1.00 0.00 O ATOM 0 H GLU A 17 -13.791 -16.155 11.232 1.00 0.00 H new ATOM 0 HA GLU A 17 -11.303 -15.446 10.056 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -11.996 -16.147 12.951 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -10.549 -15.298 12.441 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -12.025 -13.520 11.377 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -13.429 -14.345 12.024 1.00 0.00 H new ATOM 284 N LEU A 18 -11.467 -18.493 11.292 1.00 0.00 N ATOM 285 CA LEU A 18 -10.737 -19.791 11.309 1.00 0.00 C ATOM 286 C LEU A 18 -10.712 -20.377 9.897 1.00 0.00 C ATOM 287 O LEU A 18 -9.740 -20.976 9.479 1.00 0.00 O ATOM 288 CB LEU A 18 -11.451 -20.755 12.258 1.00 0.00 C ATOM 289 CG LEU A 18 -10.820 -22.143 12.152 1.00 0.00 C ATOM 290 CD1 LEU A 18 -9.959 -22.409 13.389 1.00 0.00 C ATOM 291 CD2 LEU A 18 -11.929 -23.193 12.068 1.00 0.00 C ATOM 0 H LEU A 18 -12.408 -18.520 11.685 1.00 0.00 H new ATOM 0 HA LEU A 18 -9.714 -19.637 11.651 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -11.381 -20.390 13.283 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -12.511 -20.807 12.010 1.00 0.00 H new ATOM 0 HG LEU A 18 -10.196 -22.195 11.260 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -9.509 -23.399 13.313 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -9.173 -21.657 13.453 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -10.581 -22.361 14.283 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -11.485 -24.186 11.992 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -12.549 -23.140 12.963 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -12.544 -23.003 11.189 1.00 0.00 H new ATOM 303 N LEU A 19 -11.772 -20.206 9.155 1.00 0.00 N ATOM 304 CA LEU A 19 -11.807 -20.751 7.769 1.00 0.00 C ATOM 305 C LEU A 19 -10.795 -19.998 6.903 1.00 0.00 C ATOM 306 O LEU A 19 -10.164 -20.566 6.033 1.00 0.00 O ATOM 307 CB LEU A 19 -13.210 -20.571 7.185 1.00 0.00 C ATOM 308 CG LEU A 19 -13.390 -21.507 5.990 1.00 0.00 C ATOM 309 CD1 LEU A 19 -13.085 -22.946 6.417 1.00 0.00 C ATOM 310 CD2 LEU A 19 -14.832 -21.420 5.486 1.00 0.00 C ATOM 0 H LEU A 19 -12.615 -19.713 9.449 1.00 0.00 H new ATOM 0 HA LEU A 19 -11.555 -21.811 7.788 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -13.962 -20.785 7.945 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -13.356 -19.536 6.875 1.00 0.00 H new ATOM 0 HG LEU A 19 -12.708 -21.212 5.193 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -13.213 -23.613 5.565 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -12.058 -23.009 6.776 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -13.767 -23.241 7.215 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -14.960 -22.087 4.634 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -15.514 -21.714 6.283 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -15.050 -20.396 5.181 1.00 0.00 H new ATOM 322 N ASP A 20 -10.634 -18.724 7.136 1.00 0.00 N ATOM 323 CA ASP A 20 -9.663 -17.935 6.327 1.00 0.00 C ATOM 324 C ASP A 20 -8.250 -18.478 6.556 1.00 0.00 C ATOM 325 O ASP A 20 -7.472 -18.618 5.633 1.00 0.00 O ATOM 326 CB ASP A 20 -9.720 -16.467 6.752 1.00 0.00 C ATOM 327 CG ASP A 20 -8.891 -15.622 5.785 1.00 0.00 C ATOM 328 OD1 ASP A 20 -8.372 -16.183 4.834 1.00 0.00 O ATOM 329 OD2 ASP A 20 -8.790 -14.427 6.010 1.00 0.00 O ATOM 0 H ASP A 20 -11.133 -18.196 7.852 1.00 0.00 H new ATOM 0 HA ASP A 20 -9.918 -18.017 5.270 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -10.753 -16.120 6.760 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -9.338 -16.356 7.767 1.00 0.00 H new ATOM 334 N GLU A 21 -7.913 -18.783 7.779 1.00 0.00 N ATOM 335 CA GLU A 21 -6.551 -19.317 8.064 1.00 0.00 C ATOM 336 C GLU A 21 -6.362 -20.647 7.333 1.00 0.00 C ATOM 337 O GLU A 21 -5.315 -20.919 6.779 1.00 0.00 O ATOM 338 CB GLU A 21 -6.395 -19.535 9.570 1.00 0.00 C ATOM 339 CG GLU A 21 -6.486 -18.190 10.293 1.00 0.00 C ATOM 340 CD GLU A 21 -6.267 -18.402 11.793 1.00 0.00 C ATOM 341 OE1 GLU A 21 -6.241 -19.547 12.211 1.00 0.00 O ATOM 342 OE2 GLU A 21 -6.132 -17.415 12.497 1.00 0.00 O ATOM 0 H GLU A 21 -8.521 -18.686 8.592 1.00 0.00 H new ATOM 0 HA GLU A 21 -5.801 -18.605 7.720 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -7.172 -20.208 9.933 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -5.437 -20.010 9.782 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -5.738 -17.502 9.899 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -7.461 -17.736 10.117 1.00 0.00 H new ATOM 349 N SER A 22 -7.368 -21.478 7.324 1.00 0.00 N ATOM 350 CA SER A 22 -7.245 -22.789 6.626 1.00 0.00 C ATOM 351 C SER A 22 -7.029 -22.553 5.131 1.00 0.00 C ATOM 352 O SER A 22 -6.278 -23.256 4.483 1.00 0.00 O ATOM 353 CB SER A 22 -8.525 -23.601 6.835 1.00 0.00 C ATOM 354 OG SER A 22 -8.804 -23.696 8.224 1.00 0.00 O ATOM 0 H SER A 22 -8.269 -21.306 7.770 1.00 0.00 H new ATOM 0 HA SER A 22 -6.396 -23.338 7.033 1.00 0.00 H new ATOM 0 HB2 SER A 22 -9.358 -23.126 6.318 1.00 0.00 H new ATOM 0 HB3 SER A 22 -8.410 -24.597 6.407 1.00 0.00 H new ATOM 0 HG SER A 22 -9.209 -22.859 8.534 1.00 0.00 H new ATOM 360 N ALA A 23 -7.680 -21.568 4.576 1.00 0.00 N ATOM 361 CA ALA A 23 -7.511 -21.288 3.121 1.00 0.00 C ATOM 362 C ALA A 23 -6.130 -20.678 2.877 1.00 0.00 C ATOM 363 O ALA A 23 -5.431 -21.051 1.956 1.00 0.00 O ATOM 364 CB ALA A 23 -8.591 -20.306 2.663 1.00 0.00 C ATOM 0 H ALA A 23 -8.322 -20.945 5.066 1.00 0.00 H new ATOM 0 HA ALA A 23 -7.602 -22.217 2.558 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -8.469 -20.100 1.600 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -9.575 -20.740 2.838 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -8.500 -19.377 3.225 1.00 0.00 H new ATOM 370 N LYS A 24 -5.731 -19.742 3.693 1.00 0.00 N ATOM 371 CA LYS A 24 -4.395 -19.109 3.506 1.00 0.00 C ATOM 372 C LYS A 24 -3.305 -20.180 3.600 1.00 0.00 C ATOM 373 O LYS A 24 -2.379 -20.206 2.815 1.00 0.00 O ATOM 374 CB LYS A 24 -4.171 -18.058 4.595 1.00 0.00 C ATOM 375 CG LYS A 24 -2.846 -17.337 4.343 1.00 0.00 C ATOM 376 CD LYS A 24 -2.998 -16.388 3.154 1.00 0.00 C ATOM 377 CE LYS A 24 -1.681 -15.646 2.920 1.00 0.00 C ATOM 378 NZ LYS A 24 -1.064 -16.118 1.648 1.00 0.00 N ATOM 0 H LYS A 24 -6.272 -19.388 4.482 1.00 0.00 H new ATOM 0 HA LYS A 24 -4.353 -18.632 2.527 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -4.992 -17.341 4.598 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -4.158 -18.533 5.576 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -2.549 -16.779 5.231 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -2.057 -18.063 4.144 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -3.275 -16.949 2.261 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -3.800 -15.675 3.345 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -1.860 -14.572 2.873 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -1.000 -15.820 3.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -0.169 -15.614 1.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -0.880 -17.140 1.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -1.713 -15.930 0.857 1.00 0.00 H new ATOM 392 N LYS A 25 -3.409 -21.062 4.555 1.00 0.00 N ATOM 393 CA LYS A 25 -2.380 -22.130 4.699 1.00 0.00 C ATOM 394 C LYS A 25 -2.352 -22.986 3.430 1.00 0.00 C ATOM 395 O LYS A 25 -1.303 -23.293 2.899 1.00 0.00 O ATOM 396 CB LYS A 25 -2.721 -23.011 5.901 1.00 0.00 C ATOM 397 CG LYS A 25 -1.583 -24.001 6.149 1.00 0.00 C ATOM 398 CD LYS A 25 -1.944 -24.911 7.324 1.00 0.00 C ATOM 399 CE LYS A 25 -0.740 -25.784 7.682 1.00 0.00 C ATOM 400 NZ LYS A 25 -1.216 -27.064 8.282 1.00 0.00 N ATOM 0 H LYS A 25 -4.162 -21.090 5.242 1.00 0.00 H new ATOM 0 HA LYS A 25 -1.402 -21.673 4.851 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -2.878 -22.393 6.785 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -3.651 -23.549 5.718 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -1.405 -24.598 5.255 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -0.659 -23.463 6.362 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -2.240 -24.311 8.185 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -2.797 -25.538 7.064 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -0.146 -25.986 6.791 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -0.092 -25.259 8.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -0.471 -27.784 8.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -1.443 -26.914 9.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -2.067 -27.387 7.780 1.00 0.00 H new ATOM 414 N ILE A 26 -3.498 -23.376 2.942 1.00 0.00 N ATOM 415 CA ILE A 26 -3.537 -24.213 1.709 1.00 0.00 C ATOM 416 C ILE A 26 -2.987 -23.408 0.529 1.00 0.00 C ATOM 417 O ILE A 26 -2.268 -23.924 -0.304 1.00 0.00 O ATOM 418 CB ILE A 26 -4.982 -24.622 1.417 1.00 0.00 C ATOM 419 CG1 ILE A 26 -5.525 -25.449 2.585 1.00 0.00 C ATOM 420 CG2 ILE A 26 -5.026 -25.458 0.137 1.00 0.00 C ATOM 421 CD1 ILE A 26 -7.015 -25.721 2.366 1.00 0.00 C ATOM 0 H ILE A 26 -4.408 -23.151 3.343 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.929 -25.105 1.856 1.00 0.00 H new ATOM 0 HB ILE A 26 -5.593 -23.729 1.289 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -4.980 -26.390 2.663 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -5.376 -24.915 3.523 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -6.055 -25.750 -0.072 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -4.640 -24.870 -0.695 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -4.414 -26.351 0.265 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -7.403 -26.310 3.197 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -7.553 -24.775 2.309 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -7.151 -26.272 1.436 1.00 0.00 H new ATOM 433 N VAL A 27 -3.320 -22.149 0.451 1.00 0.00 N ATOM 434 CA VAL A 27 -2.817 -21.314 -0.676 1.00 0.00 C ATOM 435 C VAL A 27 -1.290 -21.240 -0.615 1.00 0.00 C ATOM 436 O VAL A 27 -0.611 -21.379 -1.613 1.00 0.00 O ATOM 437 CB VAL A 27 -3.402 -19.905 -0.567 1.00 0.00 C ATOM 438 CG1 VAL A 27 -2.773 -19.007 -1.636 1.00 0.00 C ATOM 439 CG2 VAL A 27 -4.916 -19.963 -0.775 1.00 0.00 C ATOM 0 H VAL A 27 -3.918 -21.663 1.119 1.00 0.00 H new ATOM 0 HA VAL A 27 -3.120 -21.761 -1.623 1.00 0.00 H new ATOM 0 HB VAL A 27 -3.187 -19.498 0.421 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -3.190 -18.003 -1.559 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.694 -18.965 -1.487 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -2.987 -19.413 -2.624 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -5.333 -18.959 -0.697 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -5.132 -20.370 -1.763 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -5.364 -20.602 -0.013 1.00 0.00 H new ATOM 449 N GLU A 28 -0.744 -21.020 0.549 1.00 0.00 N ATOM 450 CA GLU A 28 0.739 -20.936 0.673 1.00 0.00 C ATOM 451 C GLU A 28 1.363 -22.272 0.265 1.00 0.00 C ATOM 452 O GLU A 28 2.374 -22.317 -0.408 1.00 0.00 O ATOM 453 CB GLU A 28 1.112 -20.621 2.123 1.00 0.00 C ATOM 454 CG GLU A 28 2.620 -20.380 2.222 1.00 0.00 C ATOM 455 CD GLU A 28 3.005 -20.148 3.684 1.00 0.00 C ATOM 456 OE1 GLU A 28 2.122 -20.203 4.524 1.00 0.00 O ATOM 457 OE2 GLU A 28 4.176 -19.917 3.938 1.00 0.00 O ATOM 0 H GLU A 28 -1.260 -20.895 1.420 1.00 0.00 H new ATOM 0 HA GLU A 28 1.113 -20.147 0.021 1.00 0.00 H new ATOM 0 HB2 GLU A 28 0.569 -19.740 2.466 1.00 0.00 H new ATOM 0 HB3 GLU A 28 0.822 -21.447 2.772 1.00 0.00 H new ATOM 0 HG2 GLU A 28 3.163 -21.237 1.824 1.00 0.00 H new ATOM 0 HG3 GLU A 28 2.901 -19.516 1.619 1.00 0.00 H new ATOM 464 N VAL A 29 0.768 -23.363 0.665 1.00 0.00 N ATOM 465 CA VAL A 29 1.328 -24.694 0.300 1.00 0.00 C ATOM 466 C VAL A 29 1.097 -24.953 -1.190 1.00 0.00 C ATOM 467 O VAL A 29 1.970 -25.427 -1.891 1.00 0.00 O ATOM 468 CB VAL A 29 0.634 -25.783 1.121 1.00 0.00 C ATOM 469 CG1 VAL A 29 1.320 -27.127 0.869 1.00 0.00 C ATOM 470 CG2 VAL A 29 0.723 -25.435 2.608 1.00 0.00 C ATOM 0 H VAL A 29 -0.082 -23.389 1.229 1.00 0.00 H new ATOM 0 HA VAL A 29 2.398 -24.708 0.510 1.00 0.00 H new ATOM 0 HB VAL A 29 -0.413 -25.849 0.826 1.00 0.00 H new ATOM 0 HG11 VAL A 29 0.826 -27.903 1.454 1.00 0.00 H new ATOM 0 HG12 VAL A 29 1.256 -27.375 -0.190 1.00 0.00 H new ATOM 0 HG13 VAL A 29 2.367 -27.062 1.164 1.00 0.00 H new ATOM 0 HG21 VAL A 29 0.229 -26.210 3.193 1.00 0.00 H new ATOM 0 HG22 VAL A 29 1.770 -25.369 2.904 1.00 0.00 H new ATOM 0 HG23 VAL A 29 0.234 -24.478 2.788 1.00 0.00 H new ATOM 480 N ALA A 30 -0.072 -24.648 -1.681 1.00 0.00 N ATOM 481 CA ALA A 30 -0.359 -24.877 -3.125 1.00 0.00 C ATOM 482 C ALA A 30 0.522 -23.956 -3.972 1.00 0.00 C ATOM 483 O ALA A 30 1.157 -24.383 -4.915 1.00 0.00 O ATOM 484 CB ALA A 30 -1.832 -24.577 -3.408 1.00 0.00 C ATOM 0 H ALA A 30 -0.842 -24.249 -1.144 1.00 0.00 H new ATOM 0 HA ALA A 30 -0.146 -25.916 -3.377 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -2.041 -24.745 -4.465 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -2.459 -25.234 -2.805 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -2.047 -23.538 -3.156 1.00 0.00 H new ATOM 490 N LYS A 31 0.563 -22.693 -3.643 1.00 0.00 N ATOM 491 CA LYS A 31 1.402 -21.746 -4.430 1.00 0.00 C ATOM 492 C LYS A 31 2.856 -22.224 -4.421 1.00 0.00 C ATOM 493 O LYS A 31 3.560 -22.119 -5.406 1.00 0.00 O ATOM 494 CB LYS A 31 1.321 -20.352 -3.805 1.00 0.00 C ATOM 495 CG LYS A 31 1.949 -19.329 -4.754 1.00 0.00 C ATOM 496 CD LYS A 31 1.847 -17.933 -4.137 1.00 0.00 C ATOM 497 CE LYS A 31 2.700 -17.872 -2.868 1.00 0.00 C ATOM 498 NZ LYS A 31 1.836 -17.518 -1.706 1.00 0.00 N ATOM 0 H LYS A 31 0.052 -22.277 -2.864 1.00 0.00 H new ATOM 0 HA LYS A 31 1.038 -21.706 -5.457 1.00 0.00 H new ATOM 0 HB2 LYS A 31 0.281 -20.090 -3.608 1.00 0.00 H new ATOM 0 HB3 LYS A 31 1.840 -20.341 -2.847 1.00 0.00 H new ATOM 0 HG2 LYS A 31 2.993 -19.581 -4.939 1.00 0.00 H new ATOM 0 HG3 LYS A 31 1.440 -19.351 -5.718 1.00 0.00 H new ATOM 0 HD2 LYS A 31 2.185 -17.182 -4.852 1.00 0.00 H new ATOM 0 HD3 LYS A 31 0.808 -17.703 -3.901 1.00 0.00 H new ATOM 0 HE2 LYS A 31 3.184 -18.833 -2.696 1.00 0.00 H new ATOM 0 HE3 LYS A 31 3.492 -17.133 -2.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 2.415 -17.476 -0.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 1.394 -16.591 -1.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 1.095 -18.239 -1.592 1.00 0.00 H new ATOM 512 N SER A 32 3.311 -22.748 -3.316 1.00 0.00 N ATOM 513 CA SER A 32 4.719 -23.231 -3.246 1.00 0.00 C ATOM 514 C SER A 32 4.950 -24.289 -4.327 1.00 0.00 C ATOM 515 O SER A 32 6.046 -24.451 -4.826 1.00 0.00 O ATOM 516 CB SER A 32 4.980 -23.845 -1.869 1.00 0.00 C ATOM 517 OG SER A 32 6.357 -24.167 -1.747 1.00 0.00 O ATOM 0 H SER A 32 2.769 -22.862 -2.459 1.00 0.00 H new ATOM 0 HA SER A 32 5.398 -22.394 -3.406 1.00 0.00 H new ATOM 0 HB2 SER A 32 4.689 -23.145 -1.086 1.00 0.00 H new ATOM 0 HB3 SER A 32 4.373 -24.741 -1.738 1.00 0.00 H new ATOM 0 HG SER A 32 6.524 -24.559 -0.864 1.00 0.00 H new ATOM 523 N THR A 33 3.926 -25.010 -4.694 1.00 0.00 N ATOM 524 CA THR A 33 4.087 -26.056 -5.742 1.00 0.00 C ATOM 525 C THR A 33 4.239 -25.387 -7.110 1.00 0.00 C ATOM 526 O THR A 33 3.933 -24.224 -7.281 1.00 0.00 O ATOM 527 CB THR A 33 2.855 -26.963 -5.751 1.00 0.00 C ATOM 528 OG1 THR A 33 1.747 -26.249 -6.281 1.00 0.00 O ATOM 529 CG2 THR A 33 2.540 -27.413 -4.323 1.00 0.00 C ATOM 0 H THR A 33 2.984 -24.919 -4.313 1.00 0.00 H new ATOM 0 HA THR A 33 4.974 -26.652 -5.528 1.00 0.00 H new ATOM 0 HB THR A 33 3.052 -27.839 -6.370 1.00 0.00 H new ATOM 0 HG1 THR A 33 1.249 -25.828 -5.550 1.00 0.00 H new ATOM 0 HG21 THR A 33 1.662 -28.059 -4.330 1.00 0.00 H new ATOM 0 HG22 THR A 33 3.391 -27.961 -3.918 1.00 0.00 H new ATOM 0 HG23 THR A 33 2.342 -26.540 -3.702 1.00 0.00 H new ATOM 537 N ASN A 34 4.707 -26.114 -8.088 1.00 0.00 N ATOM 538 CA ASN A 34 4.877 -25.520 -9.444 1.00 0.00 C ATOM 539 C ASN A 34 3.534 -24.978 -9.935 1.00 0.00 C ATOM 540 O ASN A 34 3.473 -23.993 -10.644 1.00 0.00 O ATOM 541 CB ASN A 34 5.380 -26.593 -10.412 1.00 0.00 C ATOM 542 CG ASN A 34 6.762 -27.075 -9.965 1.00 0.00 C ATOM 543 OD1 ASN A 34 7.439 -26.402 -9.213 1.00 0.00 O ATOM 544 ND2 ASN A 34 7.213 -28.220 -10.400 1.00 0.00 N ATOM 0 H ASN A 34 4.979 -27.094 -8.006 1.00 0.00 H new ATOM 0 HA ASN A 34 5.601 -24.707 -9.396 1.00 0.00 H new ATOM 0 HB2 ASN A 34 4.682 -27.430 -10.439 1.00 0.00 H new ATOM 0 HB3 ASN A 34 5.433 -26.190 -11.423 1.00 0.00 H new ATOM 0 HD21 ASN A 34 8.133 -28.550 -10.109 1.00 0.00 H new ATOM 0 HD22 ASN A 34 6.645 -28.785 -11.031 1.00 0.00 H new ATOM 551 N SER A 35 2.456 -25.615 -9.567 1.00 0.00 N ATOM 552 CA SER A 35 1.118 -25.135 -10.014 1.00 0.00 C ATOM 553 C SER A 35 0.794 -23.809 -9.323 1.00 0.00 C ATOM 554 O SER A 35 1.349 -23.483 -8.292 1.00 0.00 O ATOM 555 CB SER A 35 0.056 -26.173 -9.650 1.00 0.00 C ATOM 556 OG SER A 35 -0.159 -26.158 -8.245 1.00 0.00 O ATOM 0 H SER A 35 2.444 -26.447 -8.976 1.00 0.00 H new ATOM 0 HA SER A 35 1.127 -24.988 -11.094 1.00 0.00 H new ATOM 0 HB2 SER A 35 -0.875 -25.955 -10.173 1.00 0.00 H new ATOM 0 HB3 SER A 35 0.377 -27.165 -9.969 1.00 0.00 H new ATOM 0 HG SER A 35 0.703 -26.202 -7.782 1.00 0.00 H new ATOM 562 N LYS A 36 -0.101 -23.041 -9.882 1.00 0.00 N ATOM 563 CA LYS A 36 -0.459 -21.737 -9.256 1.00 0.00 C ATOM 564 C LYS A 36 -1.861 -21.830 -8.650 1.00 0.00 C ATOM 565 O LYS A 36 -2.699 -22.578 -9.113 1.00 0.00 O ATOM 566 CB LYS A 36 -0.436 -20.637 -10.319 1.00 0.00 C ATOM 567 CG LYS A 36 -0.518 -19.269 -9.640 1.00 0.00 C ATOM 568 CD LYS A 36 -0.523 -18.170 -10.705 1.00 0.00 C ATOM 569 CE LYS A 36 -0.424 -16.803 -10.026 1.00 0.00 C ATOM 570 NZ LYS A 36 -1.698 -16.057 -10.222 1.00 0.00 N ATOM 0 H LYS A 36 -0.599 -23.260 -10.745 1.00 0.00 H new ATOM 0 HA LYS A 36 0.261 -21.501 -8.473 1.00 0.00 H new ATOM 0 HB2 LYS A 36 0.477 -20.707 -10.910 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -1.272 -20.764 -11.007 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -1.421 -19.206 -9.033 1.00 0.00 H new ATOM 0 HG3 LYS A 36 0.329 -19.134 -8.967 1.00 0.00 H new ATOM 0 HD2 LYS A 36 0.313 -18.309 -11.391 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -1.435 -18.228 -11.299 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -0.223 -16.927 -8.962 1.00 0.00 H new ATOM 0 HE3 LYS A 36 0.409 -16.237 -10.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -1.631 -15.128 -9.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -1.871 -15.927 -11.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -2.483 -16.595 -9.804 1.00 0.00 H new ATOM 584 N VAL A 37 -2.122 -21.076 -7.617 1.00 0.00 N ATOM 585 CA VAL A 37 -3.470 -21.122 -6.983 1.00 0.00 C ATOM 586 C VAL A 37 -4.027 -19.702 -6.867 1.00 0.00 C ATOM 587 O VAL A 37 -3.298 -18.753 -6.652 1.00 0.00 O ATOM 588 CB VAL A 37 -3.356 -21.740 -5.588 1.00 0.00 C ATOM 589 CG1 VAL A 37 -2.756 -23.143 -5.699 1.00 0.00 C ATOM 590 CG2 VAL A 37 -2.451 -20.867 -4.715 1.00 0.00 C ATOM 0 H VAL A 37 -1.461 -20.431 -7.185 1.00 0.00 H new ATOM 0 HA VAL A 37 -4.139 -21.726 -7.595 1.00 0.00 H new ATOM 0 HB VAL A 37 -4.346 -21.802 -5.137 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -2.675 -23.584 -4.705 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -3.399 -23.766 -6.320 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -1.766 -23.081 -6.150 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -2.370 -21.307 -3.721 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -1.461 -20.804 -5.166 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -2.877 -19.867 -4.635 1.00 0.00 H new ATOM 600 N SER A 38 -5.315 -19.546 -7.009 1.00 0.00 N ATOM 601 CA SER A 38 -5.917 -18.187 -6.907 1.00 0.00 C ATOM 602 C SER A 38 -6.902 -18.151 -5.737 1.00 0.00 C ATOM 603 O SER A 38 -7.539 -19.135 -5.419 1.00 0.00 O ATOM 604 CB SER A 38 -6.655 -17.857 -8.205 1.00 0.00 C ATOM 605 OG SER A 38 -5.712 -17.542 -9.219 1.00 0.00 O ATOM 0 H SER A 38 -5.976 -20.301 -7.191 1.00 0.00 H new ATOM 0 HA SER A 38 -5.129 -17.453 -6.741 1.00 0.00 H new ATOM 0 HB2 SER A 38 -7.267 -18.705 -8.513 1.00 0.00 H new ATOM 0 HB3 SER A 38 -7.331 -17.016 -8.048 1.00 0.00 H new ATOM 0 HG SER A 38 -6.185 -17.332 -10.051 1.00 0.00 H new ATOM 611 N GLY A 39 -7.031 -17.023 -5.094 1.00 0.00 N ATOM 612 CA GLY A 39 -7.975 -16.925 -3.944 1.00 0.00 C ATOM 613 C GLY A 39 -7.221 -16.435 -2.707 1.00 0.00 C ATOM 614 O GLY A 39 -6.192 -15.797 -2.807 1.00 0.00 O ATOM 0 H GLY A 39 -6.524 -16.166 -5.315 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -8.787 -16.239 -4.184 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -8.427 -17.897 -3.747 1.00 0.00 H new ATOM 618 N PRO A 40 -7.750 -16.744 -1.513 1.00 0.00 N ATOM 619 CA PRO A 40 -8.992 -17.514 -1.372 1.00 0.00 C ATOM 620 C PRO A 40 -10.215 -16.705 -1.812 1.00 0.00 C ATOM 621 O PRO A 40 -10.298 -15.515 -1.584 1.00 0.00 O ATOM 622 CB PRO A 40 -9.067 -17.800 0.128 1.00 0.00 C ATOM 623 CG PRO A 40 -8.275 -16.705 0.760 1.00 0.00 C ATOM 624 CD PRO A 40 -7.178 -16.367 -0.209 1.00 0.00 C ATOM 0 HA PRO A 40 -8.990 -18.411 -1.991 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -10.098 -17.798 0.481 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -8.651 -18.779 0.366 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -8.902 -15.835 0.957 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -7.864 -17.025 1.717 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -6.922 -15.308 -0.173 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -6.266 -16.923 0.006 1.00 0.00 H new ATOM 632 N ILE A 41 -11.166 -17.343 -2.439 1.00 0.00 N ATOM 633 CA ILE A 41 -12.381 -16.610 -2.891 1.00 0.00 C ATOM 634 C ILE A 41 -13.485 -16.759 -1.843 1.00 0.00 C ATOM 635 O ILE A 41 -13.895 -17.855 -1.513 1.00 0.00 O ATOM 636 CB ILE A 41 -12.859 -17.189 -4.224 1.00 0.00 C ATOM 637 CG1 ILE A 41 -11.651 -17.501 -5.109 1.00 0.00 C ATOM 638 CG2 ILE A 41 -13.759 -16.171 -4.928 1.00 0.00 C ATOM 639 CD1 ILE A 41 -12.131 -17.896 -6.507 1.00 0.00 C ATOM 0 H ILE A 41 -11.153 -18.339 -2.657 1.00 0.00 H new ATOM 0 HA ILE A 41 -12.143 -15.554 -3.019 1.00 0.00 H new ATOM 0 HB ILE A 41 -13.420 -18.105 -4.041 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -10.997 -16.631 -5.170 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -11.066 -18.310 -4.672 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -14.100 -16.583 -5.878 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -14.621 -15.950 -4.298 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -13.198 -15.254 -5.110 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -11.270 -18.118 -7.138 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -12.767 -18.778 -6.437 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -12.698 -17.073 -6.943 1.00 0.00 H new ATOM 651 N PRO A 42 -13.974 -15.630 -1.309 1.00 0.00 N ATOM 652 CA PRO A 42 -15.034 -15.627 -0.292 1.00 0.00 C ATOM 653 C PRO A 42 -16.384 -16.056 -0.873 1.00 0.00 C ATOM 654 O PRO A 42 -16.798 -15.594 -1.918 1.00 0.00 O ATOM 655 CB PRO A 42 -15.098 -14.167 0.154 1.00 0.00 C ATOM 656 CG PRO A 42 -14.571 -13.395 -1.008 1.00 0.00 C ATOM 657 CD PRO A 42 -13.533 -14.268 -1.656 1.00 0.00 C ATOM 0 HA PRO A 42 -14.824 -16.326 0.518 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -16.119 -13.871 0.396 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -14.497 -13.999 1.047 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -15.370 -13.154 -1.709 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -14.136 -12.450 -0.682 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -13.498 -14.119 -2.735 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -12.534 -14.058 -1.273 1.00 0.00 H new ATOM 665 N LEU A 43 -17.075 -16.936 -0.201 1.00 0.00 N ATOM 666 CA LEU A 43 -18.396 -17.397 -0.711 1.00 0.00 C ATOM 667 C LEU A 43 -19.507 -16.852 0.189 1.00 0.00 C ATOM 668 O LEU A 43 -19.249 -16.270 1.225 1.00 0.00 O ATOM 669 CB LEU A 43 -18.435 -18.926 -0.699 1.00 0.00 C ATOM 670 CG LEU A 43 -18.244 -19.459 -2.122 1.00 0.00 C ATOM 671 CD1 LEU A 43 -17.097 -18.710 -2.806 1.00 0.00 C ATOM 672 CD2 LEU A 43 -17.910 -20.951 -2.061 1.00 0.00 C ATOM 0 H LEU A 43 -16.780 -17.356 0.681 1.00 0.00 H new ATOM 0 HA LEU A 43 -18.543 -17.035 -1.729 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -17.652 -19.314 -0.047 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -19.387 -19.272 -0.296 1.00 0.00 H new ATOM 0 HG LEU A 43 -19.162 -19.309 -2.691 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -16.965 -19.093 -3.818 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -17.331 -17.646 -2.848 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -16.177 -18.857 -2.240 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -17.773 -21.335 -3.072 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -16.992 -21.095 -1.491 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -18.726 -21.487 -1.577 1.00 0.00 H new ATOM 684 N PRO A 44 -20.771 -17.048 -0.217 1.00 0.00 N ATOM 685 CA PRO A 44 -21.932 -16.580 0.550 1.00 0.00 C ATOM 686 C PRO A 44 -22.099 -17.360 1.858 1.00 0.00 C ATOM 687 O PRO A 44 -21.892 -18.555 1.910 1.00 0.00 O ATOM 688 CB PRO A 44 -23.112 -16.857 -0.381 1.00 0.00 C ATOM 689 CG PRO A 44 -22.641 -17.963 -1.263 1.00 0.00 C ATOM 690 CD PRO A 44 -21.167 -17.742 -1.454 1.00 0.00 C ATOM 0 HA PRO A 44 -21.838 -15.533 0.838 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -24.000 -17.148 0.180 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -23.376 -15.972 -0.961 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -22.834 -18.934 -0.808 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -23.165 -17.950 -2.219 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -20.631 -18.683 -1.578 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -20.961 -17.139 -2.338 1.00 0.00 H new ATOM 698 N THR A 45 -22.470 -16.691 2.915 1.00 0.00 N ATOM 699 CA THR A 45 -22.645 -17.392 4.217 1.00 0.00 C ATOM 700 C THR A 45 -24.002 -18.101 4.243 1.00 0.00 C ATOM 701 O THR A 45 -24.990 -17.588 3.757 1.00 0.00 O ATOM 702 CB THR A 45 -22.580 -16.373 5.358 1.00 0.00 C ATOM 703 OG1 THR A 45 -22.474 -17.059 6.597 1.00 0.00 O ATOM 704 CG2 THR A 45 -23.848 -15.517 5.352 1.00 0.00 C ATOM 0 H THR A 45 -22.659 -15.689 2.933 1.00 0.00 H new ATOM 0 HA THR A 45 -21.851 -18.128 4.340 1.00 0.00 H new ATOM 0 HB THR A 45 -21.710 -15.730 5.223 1.00 0.00 H new ATOM 0 HG1 THR A 45 -22.356 -18.018 6.431 1.00 0.00 H new ATOM 0 HG21 THR A 45 -23.801 -14.792 6.164 1.00 0.00 H new ATOM 0 HG22 THR A 45 -23.928 -14.991 4.400 1.00 0.00 H new ATOM 0 HG23 THR A 45 -24.720 -16.157 5.487 1.00 0.00 H new ATOM 762 N VAL A 49 -23.005 -19.864 8.394 1.00 0.00 N ATOM 763 CA VAL A 49 -21.810 -20.667 8.012 1.00 0.00 C ATOM 764 C VAL A 49 -21.014 -19.916 6.942 1.00 0.00 C ATOM 765 O VAL A 49 -21.574 -19.306 6.055 1.00 0.00 O ATOM 766 CB VAL A 49 -22.260 -22.019 7.457 1.00 0.00 C ATOM 767 CG1 VAL A 49 -21.033 -22.877 7.142 1.00 0.00 C ATOM 768 CG2 VAL A 49 -23.129 -22.732 8.495 1.00 0.00 C ATOM 0 HA VAL A 49 -21.182 -20.826 8.889 1.00 0.00 H new ATOM 0 HB VAL A 49 -22.837 -21.863 6.545 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -21.355 -23.840 6.746 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -20.414 -22.369 6.402 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -20.455 -23.033 8.053 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -23.450 -23.696 8.100 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -22.553 -22.887 9.407 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -24.004 -22.121 8.718 1.00 0.00 H new ATOM 778 N HIS A 50 -19.712 -19.956 7.020 1.00 0.00 N ATOM 779 CA HIS A 50 -18.884 -19.243 6.006 1.00 0.00 C ATOM 780 C HIS A 50 -18.239 -20.262 5.065 1.00 0.00 C ATOM 781 O HIS A 50 -17.886 -21.353 5.467 1.00 0.00 O ATOM 782 CB HIS A 50 -17.795 -18.437 6.713 1.00 0.00 C ATOM 783 CG HIS A 50 -18.431 -17.413 7.613 1.00 0.00 C ATOM 784 ND1 HIS A 50 -18.639 -17.645 8.963 1.00 0.00 N ATOM 785 CD2 HIS A 50 -18.911 -16.150 7.370 1.00 0.00 C ATOM 786 CE1 HIS A 50 -19.220 -16.546 9.477 1.00 0.00 C ATOM 787 NE2 HIS A 50 -19.409 -15.603 8.549 1.00 0.00 N ATOM 0 H HIS A 50 -19.186 -20.451 7.741 1.00 0.00 H new ATOM 0 HA HIS A 50 -19.517 -18.568 5.429 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -17.156 -19.101 7.295 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -17.158 -17.945 5.978 1.00 0.00 H new ATOM 0 HD1 HIS A 50 -18.396 -18.494 9.474 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -18.903 -15.656 6.410 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -19.500 -16.439 10.515 1.00 0.00 H new ATOM 795 N LYS A 51 -18.082 -19.916 3.817 1.00 0.00 N ATOM 796 CA LYS A 51 -17.460 -20.869 2.854 1.00 0.00 C ATOM 797 C LYS A 51 -16.397 -20.142 2.027 1.00 0.00 C ATOM 798 O LYS A 51 -16.536 -18.980 1.700 1.00 0.00 O ATOM 799 CB LYS A 51 -18.536 -21.424 1.918 1.00 0.00 C ATOM 800 CG LYS A 51 -19.612 -22.132 2.743 1.00 0.00 C ATOM 801 CD LYS A 51 -20.681 -22.698 1.806 1.00 0.00 C ATOM 802 CE LYS A 51 -21.842 -23.253 2.633 1.00 0.00 C ATOM 803 NZ LYS A 51 -23.105 -22.568 2.239 1.00 0.00 N ATOM 0 H LYS A 51 -18.357 -19.016 3.423 1.00 0.00 H new ATOM 0 HA LYS A 51 -16.996 -21.687 3.405 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -18.981 -20.616 1.337 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -18.091 -22.120 1.207 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -19.166 -22.934 3.331 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -20.063 -21.434 3.448 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -21.040 -21.919 1.133 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -20.255 -23.485 1.184 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -21.934 -24.328 2.475 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -21.650 -23.102 3.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -23.894 -22.945 2.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -23.014 -21.546 2.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -23.289 -22.734 1.229 1.00 0.00 H new ATOM 817 N ARG A 52 -15.336 -20.821 1.684 1.00 0.00 N ATOM 818 CA ARG A 52 -14.264 -20.175 0.875 1.00 0.00 C ATOM 819 C ARG A 52 -13.938 -21.063 -0.328 1.00 0.00 C ATOM 820 O ARG A 52 -13.992 -22.275 -0.248 1.00 0.00 O ATOM 821 CB ARG A 52 -13.011 -19.998 1.735 1.00 0.00 C ATOM 822 CG ARG A 52 -13.326 -19.063 2.905 1.00 0.00 C ATOM 823 CD ARG A 52 -12.041 -18.767 3.681 1.00 0.00 C ATOM 824 NE ARG A 52 -12.364 -17.942 4.880 1.00 0.00 N ATOM 825 CZ ARG A 52 -12.706 -16.691 4.738 1.00 0.00 C ATOM 826 NH1 ARG A 52 -11.807 -15.801 4.414 1.00 0.00 N ATOM 827 NH2 ARG A 52 -13.947 -16.330 4.919 1.00 0.00 N ATOM 0 H ARG A 52 -15.165 -21.796 1.930 1.00 0.00 H new ATOM 0 HA ARG A 52 -14.604 -19.199 0.528 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -12.673 -20.965 2.108 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -12.199 -19.587 1.135 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -13.762 -18.135 2.536 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -14.063 -19.522 3.563 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -11.564 -19.699 3.985 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -11.332 -18.239 3.043 1.00 0.00 H new ATOM 0 HE ARG A 52 -12.318 -18.356 5.811 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -10.837 -16.084 4.272 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -12.074 -14.823 4.303 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -14.649 -17.026 5.171 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -14.215 -15.352 4.808 1.00 0.00 H new ATOM 841 N LEU A 53 -13.605 -20.473 -1.442 1.00 0.00 N ATOM 842 CA LEU A 53 -13.281 -21.290 -2.646 1.00 0.00 C ATOM 843 C LEU A 53 -11.862 -20.971 -3.120 1.00 0.00 C ATOM 844 O LEU A 53 -11.490 -19.824 -3.272 1.00 0.00 O ATOM 845 CB LEU A 53 -14.276 -20.965 -3.762 1.00 0.00 C ATOM 846 CG LEU A 53 -13.993 -21.855 -4.974 1.00 0.00 C ATOM 847 CD1 LEU A 53 -14.452 -23.284 -4.676 1.00 0.00 C ATOM 848 CD2 LEU A 53 -14.752 -21.318 -6.189 1.00 0.00 C ATOM 0 H LEU A 53 -13.543 -19.463 -1.571 1.00 0.00 H new ATOM 0 HA LEU A 53 -13.347 -22.348 -2.393 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -15.296 -21.123 -3.412 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -14.194 -19.915 -4.042 1.00 0.00 H new ATOM 0 HG LEU A 53 -12.923 -21.854 -5.184 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -14.251 -23.918 -5.539 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -13.911 -23.667 -3.810 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -15.522 -23.286 -4.466 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -14.551 -21.952 -7.053 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -15.822 -21.319 -5.979 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -14.425 -20.300 -6.402 1.00 0.00 H new ATOM 860 N ILE A 54 -11.068 -21.979 -3.359 1.00 0.00 N ATOM 861 CA ILE A 54 -9.675 -21.736 -3.828 1.00 0.00 C ATOM 862 C ILE A 54 -9.507 -22.318 -5.233 1.00 0.00 C ATOM 863 O ILE A 54 -9.649 -23.506 -5.444 1.00 0.00 O ATOM 864 CB ILE A 54 -8.689 -22.412 -2.874 1.00 0.00 C ATOM 865 CG1 ILE A 54 -8.915 -21.892 -1.452 1.00 0.00 C ATOM 866 CG2 ILE A 54 -7.258 -22.093 -3.310 1.00 0.00 C ATOM 867 CD1 ILE A 54 -7.991 -22.632 -0.484 1.00 0.00 C ATOM 0 H ILE A 54 -11.324 -22.960 -3.250 1.00 0.00 H new ATOM 0 HA ILE A 54 -9.479 -20.664 -3.850 1.00 0.00 H new ATOM 0 HB ILE A 54 -8.845 -23.491 -2.896 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -8.720 -20.820 -1.410 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -9.955 -22.038 -1.161 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -6.555 -22.574 -2.630 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -7.095 -22.463 -4.322 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -7.103 -21.014 -3.288 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -8.152 -22.261 0.528 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -8.208 -23.700 -0.518 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -6.953 -22.463 -0.771 1.00 0.00 H new ATOM 879 N ASP A 55 -9.211 -21.490 -6.198 1.00 0.00 N ATOM 880 CA ASP A 55 -9.040 -21.997 -7.589 1.00 0.00 C ATOM 881 C ASP A 55 -7.581 -22.396 -7.818 1.00 0.00 C ATOM 882 O ASP A 55 -6.673 -21.822 -7.248 1.00 0.00 O ATOM 883 CB ASP A 55 -9.430 -20.899 -8.581 1.00 0.00 C ATOM 884 CG ASP A 55 -10.918 -20.579 -8.429 1.00 0.00 C ATOM 885 OD1 ASP A 55 -11.606 -21.345 -7.773 1.00 0.00 O ATOM 886 OD2 ASP A 55 -11.346 -19.571 -8.970 1.00 0.00 O ATOM 0 H ASP A 55 -9.080 -20.485 -6.083 1.00 0.00 H new ATOM 0 HA ASP A 55 -9.678 -22.868 -7.737 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -8.834 -20.004 -8.402 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -9.219 -21.223 -9.600 1.00 0.00 H new ATOM 891 N ILE A 56 -7.350 -23.375 -8.649 1.00 0.00 N ATOM 892 CA ILE A 56 -5.951 -23.811 -8.920 1.00 0.00 C ATOM 893 C ILE A 56 -5.684 -23.752 -10.426 1.00 0.00 C ATOM 894 O ILE A 56 -6.450 -24.259 -11.221 1.00 0.00 O ATOM 895 CB ILE A 56 -5.757 -25.246 -8.425 1.00 0.00 C ATOM 896 CG1 ILE A 56 -6.130 -25.330 -6.943 1.00 0.00 C ATOM 897 CG2 ILE A 56 -4.295 -25.654 -8.606 1.00 0.00 C ATOM 898 CD1 ILE A 56 -5.819 -26.732 -6.417 1.00 0.00 C ATOM 0 H ILE A 56 -8.071 -23.892 -9.153 1.00 0.00 H new ATOM 0 HA ILE A 56 -5.257 -23.151 -8.399 1.00 0.00 H new ATOM 0 HB ILE A 56 -6.396 -25.917 -8.999 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -5.574 -24.585 -6.374 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -7.189 -25.107 -6.810 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -4.156 -26.676 -8.254 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -4.029 -25.595 -9.661 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -3.656 -24.983 -8.032 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -6.085 -26.792 -5.362 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -6.395 -27.467 -6.978 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -4.755 -26.937 -6.536 1.00 0.00 H new ATOM 910 N ILE A 57 -4.603 -23.139 -10.824 1.00 0.00 N ATOM 911 CA ILE A 57 -4.291 -23.051 -12.279 1.00 0.00 C ATOM 912 C ILE A 57 -3.101 -23.957 -12.599 1.00 0.00 C ATOM 913 O ILE A 57 -2.122 -23.991 -11.880 1.00 0.00 O ATOM 914 CB ILE A 57 -3.944 -21.605 -12.638 1.00 0.00 C ATOM 915 CG1 ILE A 57 -5.096 -20.686 -12.226 1.00 0.00 C ATOM 916 CG2 ILE A 57 -3.719 -21.494 -14.148 1.00 0.00 C ATOM 917 CD1 ILE A 57 -4.712 -19.230 -12.502 1.00 0.00 C ATOM 0 H ILE A 57 -3.923 -22.696 -10.206 1.00 0.00 H new ATOM 0 HA ILE A 57 -5.157 -23.371 -12.858 1.00 0.00 H new ATOM 0 HB ILE A 57 -3.036 -21.308 -12.112 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -5.998 -20.946 -12.779 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -5.321 -20.819 -11.168 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -3.472 -20.464 -14.404 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -2.898 -22.148 -14.443 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -4.626 -21.791 -14.674 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -5.533 -18.575 -12.209 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -3.821 -18.974 -11.929 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -4.509 -19.103 -13.565 1.00 0.00 H new ATOM 929 N ASP A 58 -3.177 -24.694 -13.673 1.00 0.00 N ATOM 930 CA ASP A 58 -2.050 -25.598 -14.037 1.00 0.00 C ATOM 931 C ASP A 58 -1.636 -26.412 -12.809 1.00 0.00 C ATOM 932 O ASP A 58 -0.515 -26.330 -12.348 1.00 0.00 O ATOM 933 CB ASP A 58 -0.862 -24.764 -14.521 1.00 0.00 C ATOM 934 CG ASP A 58 0.122 -25.664 -15.269 1.00 0.00 C ATOM 935 OD1 ASP A 58 -0.254 -26.777 -15.597 1.00 0.00 O ATOM 936 OD2 ASP A 58 1.237 -25.226 -15.502 1.00 0.00 O ATOM 0 H ASP A 58 -3.970 -24.709 -14.314 1.00 0.00 H new ATOM 0 HA ASP A 58 -2.366 -26.273 -14.832 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -1.208 -23.964 -15.175 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -0.366 -24.291 -13.673 1.00 0.00 H new ATOM 941 N PRO A 59 -2.568 -27.214 -12.272 1.00 0.00 N ATOM 942 CA PRO A 59 -2.313 -28.050 -11.093 1.00 0.00 C ATOM 943 C PRO A 59 -1.352 -29.200 -11.407 1.00 0.00 C ATOM 944 O PRO A 59 -1.399 -29.789 -12.469 1.00 0.00 O ATOM 945 CB PRO A 59 -3.693 -28.602 -10.741 1.00 0.00 C ATOM 946 CG PRO A 59 -4.451 -28.565 -12.024 1.00 0.00 C ATOM 947 CD PRO A 59 -3.945 -27.366 -12.774 1.00 0.00 C ATOM 0 HA PRO A 59 -1.846 -27.486 -10.285 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -3.626 -29.617 -10.349 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -4.179 -27.997 -9.976 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -4.292 -29.478 -12.597 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -5.523 -28.486 -11.841 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -3.966 -27.527 -13.852 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -4.548 -26.480 -12.572 1.00 0.00 H new ATOM 955 N SER A 60 -0.482 -29.526 -10.490 1.00 0.00 N ATOM 956 CA SER A 60 0.479 -30.638 -10.736 1.00 0.00 C ATOM 957 C SER A 60 0.368 -31.664 -9.607 1.00 0.00 C ATOM 958 O SER A 60 -0.331 -31.459 -8.635 1.00 0.00 O ATOM 959 CB SER A 60 1.902 -30.080 -10.780 1.00 0.00 C ATOM 960 OG SER A 60 1.899 -28.735 -10.322 1.00 0.00 O ATOM 0 H SER A 60 -0.395 -29.070 -9.582 1.00 0.00 H new ATOM 0 HA SER A 60 0.247 -31.117 -11.687 1.00 0.00 H new ATOM 0 HB2 SER A 60 2.561 -30.686 -10.158 1.00 0.00 H new ATOM 0 HB3 SER A 60 2.291 -30.128 -11.797 1.00 0.00 H new ATOM 0 HG SER A 60 2.708 -28.281 -10.636 1.00 0.00 H new ATOM 966 N PRO A 61 1.080 -32.793 -9.742 1.00 0.00 N ATOM 967 CA PRO A 61 1.068 -33.864 -8.736 1.00 0.00 C ATOM 968 C PRO A 61 1.740 -33.423 -7.433 1.00 0.00 C ATOM 969 O PRO A 61 1.481 -33.963 -6.376 1.00 0.00 O ATOM 970 CB PRO A 61 1.877 -34.982 -9.395 1.00 0.00 C ATOM 971 CG PRO A 61 2.756 -34.279 -10.374 1.00 0.00 C ATOM 972 CD PRO A 61 1.954 -33.115 -10.883 1.00 0.00 C ATOM 0 HA PRO A 61 0.056 -34.160 -8.462 1.00 0.00 H new ATOM 0 HB2 PRO A 61 2.463 -35.534 -8.660 1.00 0.00 H new ATOM 0 HB3 PRO A 61 1.227 -35.703 -9.891 1.00 0.00 H new ATOM 0 HG2 PRO A 61 3.677 -33.941 -9.900 1.00 0.00 H new ATOM 0 HG3 PRO A 61 3.042 -34.943 -11.190 1.00 0.00 H new ATOM 0 HD2 PRO A 61 2.591 -32.273 -11.154 1.00 0.00 H new ATOM 0 HD3 PRO A 61 1.379 -33.378 -11.771 1.00 0.00 H new ATOM 980 N LYS A 62 2.597 -32.441 -7.499 1.00 0.00 N ATOM 981 CA LYS A 62 3.279 -31.964 -6.265 1.00 0.00 C ATOM 982 C LYS A 62 2.251 -31.307 -5.342 1.00 0.00 C ATOM 983 O LYS A 62 2.428 -31.244 -4.142 1.00 0.00 O ATOM 984 CB LYS A 62 4.355 -30.941 -6.637 1.00 0.00 C ATOM 985 CG LYS A 62 5.435 -31.620 -7.480 1.00 0.00 C ATOM 986 CD LYS A 62 6.555 -30.621 -7.773 1.00 0.00 C ATOM 987 CE LYS A 62 7.581 -31.263 -8.709 1.00 0.00 C ATOM 988 NZ LYS A 62 8.260 -32.388 -8.004 1.00 0.00 N ATOM 0 H LYS A 62 2.854 -31.949 -8.355 1.00 0.00 H new ATOM 0 HA LYS A 62 3.743 -32.809 -5.756 1.00 0.00 H new ATOM 0 HB2 LYS A 62 3.910 -30.116 -7.193 1.00 0.00 H new ATOM 0 HB3 LYS A 62 4.796 -30.517 -5.735 1.00 0.00 H new ATOM 0 HG2 LYS A 62 5.834 -32.485 -6.951 1.00 0.00 H new ATOM 0 HG3 LYS A 62 5.007 -31.986 -8.413 1.00 0.00 H new ATOM 0 HD2 LYS A 62 6.143 -29.721 -8.230 1.00 0.00 H new ATOM 0 HD3 LYS A 62 7.036 -30.315 -6.844 1.00 0.00 H new ATOM 0 HE2 LYS A 62 7.089 -31.629 -9.610 1.00 0.00 H new ATOM 0 HE3 LYS A 62 8.315 -30.522 -9.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 9.126 -32.648 -8.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 8.506 -32.094 -7.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 7.622 -33.208 -7.964 1.00 0.00 H new ATOM 1002 N THR A 63 1.172 -30.820 -5.895 1.00 0.00 N ATOM 1003 CA THR A 63 0.132 -30.170 -5.050 1.00 0.00 C ATOM 1004 C THR A 63 -0.625 -31.242 -4.263 1.00 0.00 C ATOM 1005 O THR A 63 -0.942 -31.067 -3.104 1.00 0.00 O ATOM 1006 CB THR A 63 -0.847 -29.406 -5.945 1.00 0.00 C ATOM 1007 OG1 THR A 63 -0.126 -28.489 -6.756 1.00 0.00 O ATOM 1008 CG2 THR A 63 -1.848 -28.643 -5.077 1.00 0.00 C ATOM 0 H THR A 63 0.967 -30.845 -6.894 1.00 0.00 H new ATOM 0 HA THR A 63 0.606 -29.476 -4.356 1.00 0.00 H new ATOM 0 HB THR A 63 -1.384 -30.110 -6.580 1.00 0.00 H new ATOM 0 HG1 THR A 63 -0.722 -27.765 -7.040 1.00 0.00 H new ATOM 0 HG21 THR A 63 -2.544 -28.100 -5.716 1.00 0.00 H new ATOM 0 HG22 THR A 63 -2.401 -29.347 -4.455 1.00 0.00 H new ATOM 0 HG23 THR A 63 -1.314 -27.938 -4.440 1.00 0.00 H new ATOM 1016 N ILE A 64 -0.914 -32.352 -4.885 1.00 0.00 N ATOM 1017 CA ILE A 64 -1.648 -33.435 -4.173 1.00 0.00 C ATOM 1018 C ILE A 64 -0.776 -33.981 -3.039 1.00 0.00 C ATOM 1019 O ILE A 64 -1.254 -34.263 -1.958 1.00 0.00 O ATOM 1020 CB ILE A 64 -1.970 -34.564 -5.155 1.00 0.00 C ATOM 1021 CG1 ILE A 64 -2.818 -34.014 -6.305 1.00 0.00 C ATOM 1022 CG2 ILE A 64 -2.747 -35.665 -4.432 1.00 0.00 C ATOM 1023 CD1 ILE A 64 -2.975 -35.090 -7.382 1.00 0.00 C ATOM 0 H ILE A 64 -0.674 -32.555 -5.855 1.00 0.00 H new ATOM 0 HA ILE A 64 -2.575 -33.036 -3.761 1.00 0.00 H new ATOM 0 HB ILE A 64 -1.041 -34.975 -5.551 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -3.797 -33.708 -5.936 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -2.346 -33.127 -6.728 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -2.976 -36.469 -5.132 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -2.144 -36.058 -3.613 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -3.675 -35.254 -4.035 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -3.579 -34.699 -8.201 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -1.992 -35.374 -7.759 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -3.466 -35.964 -6.954 1.00 0.00 H new ATOM 1035 N ASP A 65 0.498 -34.131 -3.278 1.00 0.00 N ATOM 1036 CA ASP A 65 1.397 -34.657 -2.213 1.00 0.00 C ATOM 1037 C ASP A 65 1.427 -33.674 -1.041 1.00 0.00 C ATOM 1038 O ASP A 65 1.435 -34.065 0.109 1.00 0.00 O ATOM 1039 CB ASP A 65 2.810 -34.824 -2.776 1.00 0.00 C ATOM 1040 CG ASP A 65 2.805 -35.909 -3.854 1.00 0.00 C ATOM 1041 OD1 ASP A 65 1.824 -36.631 -3.935 1.00 0.00 O ATOM 1042 OD2 ASP A 65 3.782 -36.000 -4.580 1.00 0.00 O ATOM 0 H ASP A 65 0.954 -33.912 -4.164 1.00 0.00 H new ATOM 0 HA ASP A 65 1.027 -35.623 -1.868 1.00 0.00 H new ATOM 0 HB2 ASP A 65 3.159 -33.881 -3.196 1.00 0.00 H new ATOM 0 HB3 ASP A 65 3.502 -35.093 -1.978 1.00 0.00 H new ATOM 1047 N ALA A 66 1.444 -32.400 -1.324 1.00 0.00 N ATOM 1048 CA ALA A 66 1.472 -31.393 -0.225 1.00 0.00 C ATOM 1049 C ALA A 66 0.160 -31.456 0.559 1.00 0.00 C ATOM 1050 O ALA A 66 0.147 -31.396 1.771 1.00 0.00 O ATOM 1051 CB ALA A 66 1.644 -29.994 -0.820 1.00 0.00 C ATOM 0 H ALA A 66 1.440 -32.013 -2.268 1.00 0.00 H new ATOM 0 HA ALA A 66 2.305 -31.609 0.444 1.00 0.00 H new ATOM 0 HB1 ALA A 66 1.665 -29.257 -0.017 1.00 0.00 H new ATOM 0 HB2 ALA A 66 2.579 -29.949 -1.378 1.00 0.00 H new ATOM 0 HB3 ALA A 66 0.811 -29.778 -1.489 1.00 0.00 H new ATOM 1057 N LEU A 67 -0.944 -31.576 -0.127 1.00 0.00 N ATOM 1058 CA LEU A 67 -2.255 -31.644 0.579 1.00 0.00 C ATOM 1059 C LEU A 67 -2.306 -32.903 1.444 1.00 0.00 C ATOM 1060 O LEU A 67 -2.827 -32.893 2.542 1.00 0.00 O ATOM 1061 CB LEU A 67 -3.386 -31.686 -0.452 1.00 0.00 C ATOM 1062 CG LEU A 67 -4.734 -31.636 0.268 1.00 0.00 C ATOM 1063 CD1 LEU A 67 -4.733 -30.484 1.274 1.00 0.00 C ATOM 1064 CD2 LEU A 67 -5.851 -31.418 -0.756 1.00 0.00 C ATOM 0 H LEU A 67 -0.995 -31.630 -1.144 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.372 -30.765 1.213 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -3.297 -30.845 -1.139 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -3.314 -32.595 -1.050 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.900 -32.576 0.793 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -5.694 -30.448 1.787 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.938 -30.638 2.003 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -4.567 -29.543 0.750 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -6.812 -31.382 -0.244 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -5.685 -30.478 -1.281 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -5.852 -32.239 -1.473 1.00 0.00 H new ATOM 1076 N MET A 68 -1.769 -33.990 0.960 1.00 0.00 N ATOM 1077 CA MET A 68 -1.787 -35.250 1.755 1.00 0.00 C ATOM 1078 C MET A 68 -0.858 -35.105 2.962 1.00 0.00 C ATOM 1079 O MET A 68 -1.078 -35.693 4.002 1.00 0.00 O ATOM 1080 CB MET A 68 -1.311 -36.412 0.882 1.00 0.00 C ATOM 1081 CG MET A 68 -2.393 -36.755 -0.144 1.00 0.00 C ATOM 1082 SD MET A 68 -1.894 -38.222 -1.079 1.00 0.00 S ATOM 1083 CE MET A 68 -0.313 -37.581 -1.681 1.00 0.00 C ATOM 0 H MET A 68 -1.318 -34.059 0.048 1.00 0.00 H new ATOM 0 HA MET A 68 -2.802 -35.447 2.099 1.00 0.00 H new ATOM 0 HB2 MET A 68 -0.385 -36.144 0.374 1.00 0.00 H new ATOM 0 HB3 MET A 68 -1.094 -37.282 1.502 1.00 0.00 H new ATOM 0 HG2 MET A 68 -3.342 -36.937 0.360 1.00 0.00 H new ATOM 0 HG3 MET A 68 -2.547 -35.914 -0.821 1.00 0.00 H new ATOM 0 HE1 MET A 68 0.032 -38.190 -2.517 1.00 0.00 H new ATOM 0 HE2 MET A 68 -0.440 -36.550 -2.012 1.00 0.00 H new ATOM 0 HE3 MET A 68 0.423 -37.616 -0.878 1.00 0.00 H new ATOM 1093 N ARG A 69 0.181 -34.326 2.832 1.00 0.00 N ATOM 1094 CA ARG A 69 1.124 -34.145 3.971 1.00 0.00 C ATOM 1095 C ARG A 69 0.495 -33.218 5.013 1.00 0.00 C ATOM 1096 O ARG A 69 0.773 -33.314 6.191 1.00 0.00 O ATOM 1097 CB ARG A 69 2.427 -33.529 3.459 1.00 0.00 C ATOM 1098 CG ARG A 69 3.171 -34.552 2.598 1.00 0.00 C ATOM 1099 CD ARG A 69 4.519 -33.971 2.164 1.00 0.00 C ATOM 1100 NE ARG A 69 5.155 -34.882 1.172 1.00 0.00 N ATOM 1101 CZ ARG A 69 6.416 -35.200 1.293 1.00 0.00 C ATOM 1102 NH1 ARG A 69 7.263 -34.335 1.782 1.00 0.00 N ATOM 1103 NH2 ARG A 69 6.829 -36.381 0.923 1.00 0.00 N ATOM 0 H ARG A 69 0.417 -33.807 1.986 1.00 0.00 H new ATOM 0 HA ARG A 69 1.334 -35.113 4.427 1.00 0.00 H new ATOM 0 HB2 ARG A 69 2.214 -32.633 2.876 1.00 0.00 H new ATOM 0 HB3 ARG A 69 3.051 -33.222 4.298 1.00 0.00 H new ATOM 0 HG2 ARG A 69 3.324 -35.473 3.160 1.00 0.00 H new ATOM 0 HG3 ARG A 69 2.575 -34.808 1.722 1.00 0.00 H new ATOM 0 HD2 ARG A 69 4.378 -32.982 1.728 1.00 0.00 H new ATOM 0 HD3 ARG A 69 5.170 -33.847 3.030 1.00 0.00 H new ATOM 0 HE ARG A 69 4.606 -35.257 0.399 1.00 0.00 H new ATOM 0 HH11 ARG A 69 6.940 -33.411 2.069 1.00 0.00 H new ATOM 0 HH12 ARG A 69 8.248 -34.583 1.877 1.00 0.00 H new ATOM 0 HH21 ARG A 69 6.167 -37.056 0.539 1.00 0.00 H new ATOM 0 HH22 ARG A 69 7.814 -36.630 1.017 1.00 0.00 H new ATOM 1117 N ILE A 70 -0.353 -32.321 4.588 1.00 0.00 N ATOM 1118 CA ILE A 70 -0.997 -31.388 5.556 1.00 0.00 C ATOM 1119 C ILE A 70 -2.489 -31.714 5.662 1.00 0.00 C ATOM 1120 O ILE A 70 -3.157 -31.938 4.673 1.00 0.00 O ATOM 1121 CB ILE A 70 -0.823 -29.950 5.072 1.00 0.00 C ATOM 1122 CG1 ILE A 70 0.666 -29.646 4.897 1.00 0.00 C ATOM 1123 CG2 ILE A 70 -1.421 -28.989 6.102 1.00 0.00 C ATOM 1124 CD1 ILE A 70 0.834 -28.258 4.276 1.00 0.00 C ATOM 0 H ILE A 70 -0.627 -32.194 3.614 1.00 0.00 H new ATOM 0 HA ILE A 70 -0.530 -31.500 6.534 1.00 0.00 H new ATOM 0 HB ILE A 70 -1.334 -29.825 4.117 1.00 0.00 H new ATOM 0 HG12 ILE A 70 1.172 -29.688 5.861 1.00 0.00 H new ATOM 0 HG13 ILE A 70 1.129 -30.399 4.260 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -1.297 -27.963 5.757 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -2.482 -29.204 6.227 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -0.910 -29.115 7.057 1.00 0.00 H new ATOM 0 HD11 ILE A 70 1.895 -28.041 4.151 1.00 0.00 H new ATOM 0 HD12 ILE A 70 0.342 -28.232 3.304 1.00 0.00 H new ATOM 0 HD13 ILE A 70 0.385 -27.510 4.930 1.00 0.00 H new ATOM 1136 N ASN A 71 -3.016 -31.743 6.855 1.00 0.00 N ATOM 1137 CA ASN A 71 -4.464 -32.053 7.024 1.00 0.00 C ATOM 1138 C ASN A 71 -5.195 -30.813 7.541 1.00 0.00 C ATOM 1139 O ASN A 71 -4.741 -30.146 8.448 1.00 0.00 O ATOM 1140 CB ASN A 71 -4.627 -33.196 8.029 1.00 0.00 C ATOM 1141 CG ASN A 71 -6.071 -33.698 8.001 1.00 0.00 C ATOM 1142 OD1 ASN A 71 -6.530 -34.210 7.000 1.00 0.00 O ATOM 1143 ND2 ASN A 71 -6.814 -33.571 9.068 1.00 0.00 N ATOM 0 H ASN A 71 -2.506 -31.565 7.721 1.00 0.00 H new ATOM 0 HA ASN A 71 -4.886 -32.349 6.064 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -3.943 -34.009 7.785 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -4.369 -32.853 9.031 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -7.779 -33.902 9.060 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -6.429 -33.141 9.909 1.00 0.00 H new ATOM 1150 N LEU A 72 -6.326 -30.499 6.970 1.00 0.00 N ATOM 1151 CA LEU A 72 -7.086 -29.302 7.429 1.00 0.00 C ATOM 1152 C LEU A 72 -7.276 -29.371 8.946 1.00 0.00 C ATOM 1153 O LEU A 72 -7.412 -30.435 9.515 1.00 0.00 O ATOM 1154 CB LEU A 72 -8.453 -29.273 6.744 1.00 0.00 C ATOM 1155 CG LEU A 72 -9.088 -30.664 6.812 1.00 0.00 C ATOM 1156 CD1 LEU A 72 -10.574 -30.531 7.155 1.00 0.00 C ATOM 1157 CD2 LEU A 72 -8.938 -31.360 5.457 1.00 0.00 C ATOM 0 H LEU A 72 -6.756 -31.020 6.206 1.00 0.00 H new ATOM 0 HA LEU A 72 -6.533 -28.399 7.173 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -9.100 -28.542 7.230 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -8.344 -28.962 5.705 1.00 0.00 H new ATOM 0 HG LEU A 72 -8.589 -31.254 7.581 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -11.026 -31.522 7.203 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -10.682 -30.035 8.120 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -11.073 -29.941 6.386 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -9.390 -32.351 5.505 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -9.437 -30.770 4.688 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -7.880 -31.455 5.212 1.00 0.00 H new ATOM 1169 N PRO A 73 -7.285 -28.205 9.608 1.00 0.00 N ATOM 1170 CA PRO A 73 -7.460 -28.122 11.064 1.00 0.00 C ATOM 1171 C PRO A 73 -8.882 -28.497 11.488 1.00 0.00 C ATOM 1172 O PRO A 73 -9.826 -28.338 10.740 1.00 0.00 O ATOM 1173 CB PRO A 73 -7.193 -26.649 11.373 1.00 0.00 C ATOM 1174 CG PRO A 73 -7.505 -25.937 10.100 1.00 0.00 C ATOM 1175 CD PRO A 73 -7.128 -26.877 8.991 1.00 0.00 C ATOM 0 HA PRO A 73 -6.801 -28.809 11.595 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -7.822 -26.295 12.190 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -6.158 -26.488 11.674 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -8.562 -25.678 10.048 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -6.944 -25.005 10.028 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -7.777 -26.757 8.123 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -6.106 -26.709 8.651 1.00 0.00 H new ATOM 1183 N ALA A 74 -9.043 -28.995 12.683 1.00 0.00 N ATOM 1184 CA ALA A 74 -10.403 -29.380 13.154 1.00 0.00 C ATOM 1185 C ALA A 74 -11.325 -28.160 13.104 1.00 0.00 C ATOM 1186 O ALA A 74 -10.895 -27.037 13.273 1.00 0.00 O ATOM 1187 CB ALA A 74 -10.318 -29.896 14.592 1.00 0.00 C ATOM 0 H ALA A 74 -8.291 -29.152 13.354 1.00 0.00 H new ATOM 0 HA ALA A 74 -10.802 -30.163 12.510 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -11.313 -30.178 14.937 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -9.662 -30.765 14.628 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -9.919 -29.113 15.237 1.00 0.00 H new ATOM 1193 N GLY A 75 -12.592 -28.372 12.872 1.00 0.00 N ATOM 1194 CA GLY A 75 -13.541 -27.225 12.812 1.00 0.00 C ATOM 1195 C GLY A 75 -13.765 -26.822 11.352 1.00 0.00 C ATOM 1196 O GLY A 75 -14.586 -25.978 11.051 1.00 0.00 O ATOM 0 H GLY A 75 -13.010 -29.290 12.721 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -14.489 -27.500 13.274 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -13.144 -26.381 13.376 1.00 0.00 H new ATOM 1200 N VAL A 76 -13.043 -27.417 10.442 1.00 0.00 N ATOM 1201 CA VAL A 76 -13.218 -27.065 9.005 1.00 0.00 C ATOM 1202 C VAL A 76 -13.503 -28.334 8.199 1.00 0.00 C ATOM 1203 O VAL A 76 -13.035 -29.407 8.526 1.00 0.00 O ATOM 1204 CB VAL A 76 -11.940 -26.407 8.482 1.00 0.00 C ATOM 1205 CG1 VAL A 76 -12.117 -26.055 7.003 1.00 0.00 C ATOM 1206 CG2 VAL A 76 -11.659 -25.131 9.279 1.00 0.00 C ATOM 0 H VAL A 76 -12.340 -28.131 10.632 1.00 0.00 H new ATOM 0 HA VAL A 76 -14.053 -26.373 8.901 1.00 0.00 H new ATOM 0 HB VAL A 76 -11.104 -27.097 8.595 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -11.207 -25.586 6.629 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -12.317 -26.963 6.434 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -12.953 -25.365 6.891 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -10.748 -24.662 8.906 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -12.495 -24.440 9.167 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -11.534 -25.380 10.333 1.00 0.00 H new ATOM 1216 N ASP A 77 -14.266 -28.220 7.146 1.00 0.00 N ATOM 1217 CA ASP A 77 -14.578 -29.419 6.319 1.00 0.00 C ATOM 1218 C ASP A 77 -14.169 -29.157 4.869 1.00 0.00 C ATOM 1219 O ASP A 77 -14.246 -28.046 4.383 1.00 0.00 O ATOM 1220 CB ASP A 77 -16.080 -29.705 6.382 1.00 0.00 C ATOM 1221 CG ASP A 77 -16.462 -30.117 7.805 1.00 0.00 C ATOM 1222 OD1 ASP A 77 -15.563 -30.392 8.583 1.00 0.00 O ATOM 1223 OD2 ASP A 77 -17.647 -30.152 8.093 1.00 0.00 O ATOM 0 H ASP A 77 -14.686 -27.348 6.823 1.00 0.00 H new ATOM 0 HA ASP A 77 -14.028 -30.279 6.702 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -16.642 -28.820 6.085 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -16.340 -30.498 5.680 1.00 0.00 H new