USER MOD reduce.3.24.130724 H: found=0, std=0, add=605, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 605 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 Single : A 1 LEU N :NH3+ -101:sc= -0.0756 (180deg=-0.428) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 16:sc= 0.83 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 126:sc= -0.304 (180deg=-1.41) USER MOD Single : A 13 GLN : amide:sc= 0.346 K(o=0.35,f=-1.1) USER MOD Single : A 18 LYS NZ :NH3+ 167:sc= -0.0246 (180deg=-0.178) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= -0.397 X(o=-0.4,f=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -22! C(o=-22!,f=-23!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 152:sc= -2.45! USER MOD Single : A 42 LYS NZ :NH3+ -138:sc= -0.397 (180deg=-1.24!) USER MOD Single : A 46 TYR OH : rot -175:sc= -3.16! USER MOD Single : A 47 LYS NZ :NH3+ -153:sc= -0.102 (180deg=-0.466) USER MOD Single : A 49 GLN : amide:sc= -4.92! C(o=-4.9!,f=-5.4!) USER MOD Single : A 54 SER OG : rot -35:sc= 0.0549 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 174:sc= 0.387 (180deg=0.372) USER MOD Single : A 58 ASN : amide:sc= -1.77 K(o=-1.8,f=-0.69) USER MOD Single : A 61 THR OG1 : rot -92:sc= 1.06 USER MOD Single : A 67 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0124) USER MOD Single : A 68 ASN : amide:sc= -0.0849 X(o=-0.085,f=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0.0363 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 -6.825 -23.142 15.370 1.00 0.00 N ATOM 2 CA LEU A 1 -5.832 -22.061 15.137 1.00 0.00 C ATOM 3 C LEU A 1 -6.507 -20.790 14.629 1.00 0.00 C ATOM 4 O LEU A 1 -6.366 -19.721 15.223 1.00 0.00 O ATOM 5 CB LEU A 1 -4.802 -22.557 14.119 1.00 0.00 C ATOM 6 CG LEU A 1 -3.515 -23.121 14.725 1.00 0.00 C ATOM 7 CD1 LEU A 1 -2.749 -22.035 15.461 1.00 0.00 C ATOM 8 CD2 LEU A 1 -3.829 -24.280 15.659 1.00 0.00 C ATOM 0 H1 LEU A 1 -7.035 -23.207 16.387 1.00 0.00 H new ATOM 0 H2 LEU A 1 -7.699 -22.928 14.849 1.00 0.00 H new ATOM 0 H3 LEU A 1 -6.437 -24.048 15.038 1.00 0.00 H new ATOM 0 HA LEU A 1 -5.342 -21.816 16.079 1.00 0.00 H new ATOM 0 HB2 LEU A 1 -5.264 -23.328 13.503 1.00 0.00 H new ATOM 0 HB3 LEU A 1 -4.543 -21.732 13.455 1.00 0.00 H new ATOM 0 HG LEU A 1 -2.888 -23.492 13.914 1.00 0.00 H new ATOM 0 HD11 LEU A 1 -1.837 -22.456 15.885 1.00 0.00 H new ATOM 0 HD12 LEU A 1 -2.491 -21.237 14.765 1.00 0.00 H new ATOM 0 HD13 LEU A 1 -3.369 -21.632 16.262 1.00 0.00 H new ATOM 0 HD21 LEU A 1 -2.902 -24.669 16.081 1.00 0.00 H new ATOM 0 HD22 LEU A 1 -4.477 -23.933 16.464 1.00 0.00 H new ATOM 0 HD23 LEU A 1 -4.333 -25.070 15.102 1.00 0.00 H new ATOM 22 N LYS A 2 -7.242 -20.917 13.528 1.00 0.00 N ATOM 23 CA LYS A 2 -7.939 -19.779 12.940 1.00 0.00 C ATOM 24 C LYS A 2 -9.262 -20.214 12.319 1.00 0.00 C ATOM 25 O LYS A 2 -9.624 -21.390 12.366 1.00 0.00 O ATOM 26 CB LYS A 2 -7.060 -19.107 11.883 1.00 0.00 C ATOM 27 CG LYS A 2 -7.130 -17.588 11.909 1.00 0.00 C ATOM 28 CD LYS A 2 -5.783 -16.963 11.589 1.00 0.00 C ATOM 29 CE LYS A 2 -5.471 -15.800 12.518 1.00 0.00 C ATOM 30 NZ LYS A 2 -5.804 -14.488 11.900 1.00 0.00 N ATOM 0 H LYS A 2 -7.370 -21.796 13.026 1.00 0.00 H new ATOM 0 HA LYS A 2 -8.150 -19.063 13.734 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -6.026 -19.417 12.032 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -7.360 -19.459 10.896 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -7.872 -17.245 11.188 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -7.463 -17.255 12.892 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -5.001 -17.718 11.675 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -5.779 -16.616 10.556 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -6.032 -15.916 13.446 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -4.413 -15.819 12.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -5.576 -13.723 12.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -5.251 -14.364 11.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -6.818 -14.459 11.673 1.00 0.00 H new ATOM 44 N LYS A 3 -9.981 -19.259 11.739 1.00 0.00 N ATOM 45 CA LYS A 3 -11.264 -19.544 11.108 1.00 0.00 C ATOM 46 C LYS A 3 -11.419 -18.758 9.810 1.00 0.00 C ATOM 47 O LYS A 3 -11.785 -19.316 8.776 1.00 0.00 O ATOM 48 CB LYS A 3 -12.410 -19.207 12.063 1.00 0.00 C ATOM 49 CG LYS A 3 -12.892 -20.395 12.880 1.00 0.00 C ATOM 50 CD LYS A 3 -12.465 -20.284 14.338 1.00 0.00 C ATOM 51 CE LYS A 3 -11.933 -21.605 14.866 1.00 0.00 C ATOM 52 NZ LYS A 3 -13.010 -22.442 15.462 1.00 0.00 N ATOM 0 H LYS A 3 -9.697 -18.280 11.693 1.00 0.00 H new ATOM 0 HA LYS A 3 -11.297 -20.608 10.872 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -12.086 -18.418 12.741 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -13.246 -18.809 11.488 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -13.979 -20.460 12.823 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -12.495 -21.316 12.453 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -11.697 -19.517 14.436 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -13.314 -19.965 14.943 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -11.455 -22.154 14.054 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -11.166 -21.413 15.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -12.604 -23.334 15.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -13.450 -21.930 16.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -13.730 -22.648 14.740 1.00 0.00 H new ATOM 66 N THR A 4 -11.134 -17.460 9.871 1.00 0.00 N ATOM 67 CA THR A 4 -11.242 -16.599 8.699 1.00 0.00 C ATOM 68 C THR A 4 -9.868 -16.330 8.095 1.00 0.00 C ATOM 69 O THR A 4 -8.945 -15.909 8.793 1.00 0.00 O ATOM 70 CB THR A 4 -11.918 -15.279 9.072 1.00 0.00 C ATOM 71 OG1 THR A 4 -11.972 -14.409 7.954 1.00 0.00 O ATOM 72 CG2 THR A 4 -11.214 -14.543 10.191 1.00 0.00 C ATOM 0 H THR A 4 -10.827 -16.983 10.719 1.00 0.00 H new ATOM 0 HA THR A 4 -11.851 -17.112 7.955 1.00 0.00 H new ATOM 0 HB THR A 4 -12.918 -15.552 9.409 1.00 0.00 H new ATOM 0 HG1 THR A 4 -12.409 -13.571 8.212 1.00 0.00 H new ATOM 0 HG21 THR A 4 -11.744 -13.615 10.407 1.00 0.00 H new ATOM 0 HG22 THR A 4 -11.198 -15.168 11.084 1.00 0.00 H new ATOM 0 HG23 THR A 4 -10.192 -14.315 9.890 1.00 0.00 H new ATOM 80 N SER A 5 -9.740 -16.573 6.796 1.00 0.00 N ATOM 81 CA SER A 5 -8.478 -16.355 6.097 1.00 0.00 C ATOM 82 C SER A 5 -8.667 -15.411 4.913 1.00 0.00 C ATOM 83 O SER A 5 -7.864 -14.502 4.698 1.00 0.00 O ATOM 84 CB SER A 5 -7.904 -17.688 5.612 1.00 0.00 C ATOM 85 OG SER A 5 -6.490 -17.704 5.720 1.00 0.00 O ATOM 0 H SER A 5 -10.495 -16.921 6.205 1.00 0.00 H new ATOM 0 HA SER A 5 -7.779 -15.897 6.796 1.00 0.00 H new ATOM 0 HB2 SER A 5 -8.326 -18.504 6.198 1.00 0.00 H new ATOM 0 HB3 SER A 5 -8.195 -17.857 4.575 1.00 0.00 H new ATOM 0 HG SER A 5 -6.148 -18.567 5.406 1.00 0.00 H new ATOM 91 N SER A 6 -9.733 -15.631 4.151 1.00 0.00 N ATOM 92 CA SER A 6 -10.027 -14.800 2.991 1.00 0.00 C ATOM 93 C SER A 6 -10.902 -13.612 3.380 1.00 0.00 C ATOM 94 O SER A 6 -11.991 -13.784 3.927 1.00 0.00 O ATOM 95 CB SER A 6 -10.722 -15.626 1.907 1.00 0.00 C ATOM 96 OG SER A 6 -10.878 -14.876 0.715 1.00 0.00 O ATOM 0 H SER A 6 -10.407 -16.378 4.316 1.00 0.00 H new ATOM 0 HA SER A 6 -9.083 -14.421 2.599 1.00 0.00 H new ATOM 0 HB2 SER A 6 -10.140 -16.525 1.701 1.00 0.00 H new ATOM 0 HB3 SER A 6 -11.698 -15.953 2.265 1.00 0.00 H new ATOM 0 HG SER A 6 -10.297 -14.088 0.746 1.00 0.00 H new ATOM 102 N SER A 7 -10.419 -12.407 3.094 1.00 0.00 N ATOM 103 CA SER A 7 -11.158 -11.193 3.413 1.00 0.00 C ATOM 104 C SER A 7 -10.615 -10.001 2.628 1.00 0.00 C ATOM 105 O SER A 7 -9.414 -9.734 2.637 1.00 0.00 O ATOM 106 CB SER A 7 -11.083 -10.908 4.917 1.00 0.00 C ATOM 107 OG SER A 7 -12.372 -10.942 5.508 1.00 0.00 O ATOM 0 H SER A 7 -9.519 -12.246 2.642 1.00 0.00 H new ATOM 0 HA SER A 7 -12.199 -11.345 3.129 1.00 0.00 H new ATOM 0 HB2 SER A 7 -10.439 -11.644 5.398 1.00 0.00 H new ATOM 0 HB3 SER A 7 -10.629 -9.931 5.083 1.00 0.00 H new ATOM 0 HG SER A 7 -12.297 -10.759 6.468 1.00 0.00 H new ATOM 113 N GLY A 8 -11.509 -9.290 1.950 1.00 0.00 N ATOM 114 CA GLY A 8 -11.103 -8.136 1.170 1.00 0.00 C ATOM 115 C GLY A 8 -10.535 -7.026 2.030 1.00 0.00 C ATOM 116 O GLY A 8 -11.000 -6.798 3.146 1.00 0.00 O ATOM 0 H GLY A 8 -12.508 -9.492 1.927 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -10.357 -8.441 0.437 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -11.960 -7.758 0.613 1.00 0.00 H new ATOM 120 N LEU A 9 -9.529 -6.331 1.509 1.00 0.00 N ATOM 121 CA LEU A 9 -8.903 -5.237 2.234 1.00 0.00 C ATOM 122 C LEU A 9 -8.510 -4.134 1.271 1.00 0.00 C ATOM 123 O LEU A 9 -8.011 -4.399 0.179 1.00 0.00 O ATOM 124 CB LEU A 9 -7.673 -5.734 2.999 1.00 0.00 C ATOM 125 CG LEU A 9 -7.974 -6.690 4.153 1.00 0.00 C ATOM 126 CD1 LEU A 9 -6.773 -7.579 4.439 1.00 0.00 C ATOM 127 CD2 LEU A 9 -8.370 -5.911 5.399 1.00 0.00 C ATOM 0 H LEU A 9 -9.131 -6.508 0.587 1.00 0.00 H new ATOM 0 HA LEU A 9 -9.620 -4.841 2.953 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -7.005 -6.234 2.298 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -7.135 -4.871 3.392 1.00 0.00 H new ATOM 0 HG LEU A 9 -8.810 -7.327 3.863 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -7.007 -8.252 5.264 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -6.533 -8.163 3.551 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -5.918 -6.959 4.708 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -8.581 -6.607 6.211 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -7.553 -5.250 5.690 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -9.260 -5.317 5.189 1.00 0.00 H new ATOM 139 N TYR A 10 -8.730 -2.895 1.680 1.00 0.00 N ATOM 140 CA TYR A 10 -8.391 -1.761 0.847 1.00 0.00 C ATOM 141 C TYR A 10 -7.084 -1.148 1.310 1.00 0.00 C ATOM 142 O TYR A 10 -7.023 -0.488 2.348 1.00 0.00 O ATOM 143 CB TYR A 10 -9.518 -0.731 0.872 1.00 0.00 C ATOM 144 CG TYR A 10 -10.875 -1.333 0.578 1.00 0.00 C ATOM 145 CD1 TYR A 10 -11.211 -1.733 -0.706 1.00 0.00 C ATOM 146 CD2 TYR A 10 -11.814 -1.507 1.584 1.00 0.00 C ATOM 147 CE1 TYR A 10 -12.444 -2.289 -0.983 1.00 0.00 C ATOM 148 CE2 TYR A 10 -13.052 -2.061 1.318 1.00 0.00 C ATOM 149 CZ TYR A 10 -13.362 -2.450 0.031 1.00 0.00 C ATOM 150 OH TYR A 10 -14.593 -3.003 -0.239 1.00 0.00 O ATOM 0 H TYR A 10 -9.141 -2.653 2.582 1.00 0.00 H new ATOM 0 HA TYR A 10 -8.265 -2.100 -0.181 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -9.543 -0.252 1.851 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -9.306 0.049 0.141 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -10.495 -1.607 -1.505 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -11.574 -1.204 2.592 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -12.687 -2.596 -1.989 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -13.772 -2.189 2.113 1.00 0.00 H new ATOM 0 HH TYR A 10 -15.120 -3.047 0.586 1.00 0.00 H new ATOM 160 N LYS A 11 -6.038 -1.370 0.530 1.00 0.00 N ATOM 161 CA LYS A 11 -4.717 -0.837 0.853 1.00 0.00 C ATOM 162 C LYS A 11 -4.162 -0.036 -0.317 1.00 0.00 C ATOM 163 O LYS A 11 -4.535 -0.271 -1.466 1.00 0.00 O ATOM 164 CB LYS A 11 -3.756 -1.976 1.206 1.00 0.00 C ATOM 165 CG LYS A 11 -4.394 -3.082 2.034 1.00 0.00 C ATOM 166 CD LYS A 11 -3.511 -4.317 2.093 1.00 0.00 C ATOM 167 CE LYS A 11 -3.095 -4.638 3.520 1.00 0.00 C ATOM 168 NZ LYS A 11 -4.270 -4.830 4.413 1.00 0.00 N ATOM 0 H LYS A 11 -6.074 -1.915 -0.332 1.00 0.00 H new ATOM 0 HA LYS A 11 -4.816 -0.176 1.714 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -3.362 -2.405 0.285 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -2.908 -1.567 1.755 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -4.581 -2.719 3.045 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -5.361 -3.346 1.606 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -4.045 -5.167 1.669 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -2.623 -4.160 1.481 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -2.484 -5.541 3.525 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -2.474 -3.830 3.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -4.195 -5.750 4.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -4.294 -4.071 5.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -5.143 -4.804 3.848 1.00 0.00 H new ATOM 182 N VAL A 12 -3.265 0.908 -0.032 1.00 0.00 N ATOM 183 CA VAL A 12 -2.676 1.719 -1.091 1.00 0.00 C ATOM 184 C VAL A 12 -1.214 1.326 -1.304 1.00 0.00 C ATOM 185 O VAL A 12 -0.491 1.074 -0.348 1.00 0.00 O ATOM 186 CB VAL A 12 -2.772 3.244 -0.805 1.00 0.00 C ATOM 187 CG1 VAL A 12 -3.158 3.998 -2.059 1.00 0.00 C ATOM 188 CG2 VAL A 12 -3.774 3.565 0.295 1.00 0.00 C ATOM 0 H VAL A 12 -2.936 1.126 0.909 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.252 1.522 -1.995 1.00 0.00 H new ATOM 0 HB VAL A 12 -1.784 3.559 -0.469 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -3.220 5.064 -1.838 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.406 3.830 -2.830 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -4.126 3.644 -2.413 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -3.804 4.642 0.457 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -4.763 3.215 -0.000 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -3.474 3.068 1.217 1.00 0.00 H new ATOM 198 N GLN A 13 -0.791 1.255 -2.564 1.00 0.00 N ATOM 199 CA GLN A 13 0.584 0.872 -2.889 1.00 0.00 C ATOM 200 C GLN A 13 1.202 1.848 -3.886 1.00 0.00 C ATOM 201 O GLN A 13 0.560 2.244 -4.856 1.00 0.00 O ATOM 202 CB GLN A 13 0.620 -0.547 -3.459 1.00 0.00 C ATOM 203 CG GLN A 13 2.003 -1.176 -3.439 1.00 0.00 C ATOM 204 CD GLN A 13 2.232 -2.123 -4.601 1.00 0.00 C ATOM 205 OE1 GLN A 13 1.284 -2.567 -5.249 1.00 0.00 O ATOM 206 NE2 GLN A 13 3.493 -2.437 -4.871 1.00 0.00 N ATOM 0 H GLN A 13 -1.376 1.456 -3.375 1.00 0.00 H new ATOM 0 HA GLN A 13 1.168 0.902 -1.969 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -0.064 -1.176 -2.889 1.00 0.00 H new ATOM 0 HB3 GLN A 13 0.254 -0.527 -4.486 1.00 0.00 H new ATOM 0 HG2 GLN A 13 2.756 -0.388 -3.464 1.00 0.00 H new ATOM 0 HG3 GLN A 13 2.138 -1.717 -2.503 1.00 0.00 H new ATOM 0 HE21 GLN A 13 4.248 -2.046 -4.308 1.00 0.00 H new ATOM 0 HE22 GLN A 13 3.707 -3.070 -5.642 1.00 0.00 H new ATOM 215 N ILE A 14 2.445 2.248 -3.626 1.00 0.00 N ATOM 216 CA ILE A 14 3.123 3.199 -4.499 1.00 0.00 C ATOM 217 C ILE A 14 4.225 2.562 -5.347 1.00 0.00 C ATOM 218 O ILE A 14 4.789 3.228 -6.217 1.00 0.00 O ATOM 219 CB ILE A 14 3.721 4.373 -3.703 1.00 0.00 C ATOM 220 CG1 ILE A 14 4.643 3.847 -2.597 1.00 0.00 C ATOM 221 CG2 ILE A 14 2.606 5.245 -3.139 1.00 0.00 C ATOM 222 CD1 ILE A 14 4.165 4.137 -1.191 1.00 0.00 C ATOM 0 H ILE A 14 2.996 1.932 -2.828 1.00 0.00 H new ATOM 0 HA ILE A 14 2.349 3.567 -5.173 1.00 0.00 H new ATOM 0 HB ILE A 14 4.323 4.992 -4.369 1.00 0.00 H new ATOM 0 HG12 ILE A 14 4.752 2.769 -2.715 1.00 0.00 H new ATOM 0 HG13 ILE A 14 5.633 4.284 -2.728 1.00 0.00 H new ATOM 0 HG21 ILE A 14 3.040 6.073 -2.578 1.00 0.00 H new ATOM 0 HG22 ILE A 14 2.003 5.638 -3.957 1.00 0.00 H new ATOM 0 HG23 ILE A 14 1.977 4.649 -2.478 1.00 0.00 H new ATOM 0 HD11 ILE A 14 4.877 3.730 -0.473 1.00 0.00 H new ATOM 0 HD12 ILE A 14 4.084 5.215 -1.049 1.00 0.00 H new ATOM 0 HD13 ILE A 14 3.190 3.676 -1.036 1.00 0.00 H new ATOM 234 N GLY A 15 4.528 1.276 -5.136 1.00 0.00 N ATOM 235 CA GLY A 15 5.554 0.653 -5.961 1.00 0.00 C ATOM 236 C GLY A 15 6.192 -0.592 -5.372 1.00 0.00 C ATOM 237 O GLY A 15 5.936 -0.964 -4.227 1.00 0.00 O ATOM 0 H GLY A 15 4.097 0.674 -4.434 1.00 0.00 H new ATOM 0 HA2 GLY A 15 5.115 0.395 -6.925 1.00 0.00 H new ATOM 0 HA3 GLY A 15 6.337 1.386 -6.153 1.00 0.00 H new ATOM 241 N ALA A 16 7.065 -1.205 -6.175 1.00 0.00 N ATOM 242 CA ALA A 16 7.817 -2.393 -5.783 1.00 0.00 C ATOM 243 C ALA A 16 9.145 -2.417 -6.548 1.00 0.00 C ATOM 244 O ALA A 16 9.193 -2.021 -7.712 1.00 0.00 O ATOM 245 CB ALA A 16 7.013 -3.665 -6.033 1.00 0.00 C ATOM 0 H ALA A 16 7.269 -0.886 -7.122 1.00 0.00 H new ATOM 0 HA ALA A 16 8.019 -2.352 -4.713 1.00 0.00 H new ATOM 0 HB1 ALA A 16 7.600 -4.532 -5.731 1.00 0.00 H new ATOM 0 HB2 ALA A 16 6.090 -3.632 -5.454 1.00 0.00 H new ATOM 0 HB3 ALA A 16 6.773 -3.741 -7.093 1.00 0.00 H new ATOM 251 N PHE A 17 10.220 -2.863 -5.905 1.00 0.00 N ATOM 252 CA PHE A 17 11.527 -2.904 -6.561 1.00 0.00 C ATOM 253 C PHE A 17 12.419 -3.987 -5.968 1.00 0.00 C ATOM 254 O PHE A 17 12.397 -4.237 -4.765 1.00 0.00 O ATOM 255 CB PHE A 17 12.230 -1.547 -6.451 1.00 0.00 C ATOM 256 CG PHE A 17 11.300 -0.372 -6.547 1.00 0.00 C ATOM 257 CD1 PHE A 17 10.669 0.120 -5.417 1.00 0.00 C ATOM 258 CD2 PHE A 17 11.061 0.240 -7.767 1.00 0.00 C ATOM 259 CE1 PHE A 17 9.815 1.201 -5.500 1.00 0.00 C ATOM 260 CE2 PHE A 17 10.207 1.323 -7.857 1.00 0.00 C ATOM 261 CZ PHE A 17 9.584 1.804 -6.722 1.00 0.00 C ATOM 0 H PHE A 17 10.216 -3.198 -4.942 1.00 0.00 H new ATOM 0 HA PHE A 17 11.353 -3.138 -7.611 1.00 0.00 H new ATOM 0 HB2 PHE A 17 12.762 -1.500 -5.501 1.00 0.00 H new ATOM 0 HB3 PHE A 17 12.978 -1.471 -7.240 1.00 0.00 H new ATOM 0 HD1 PHE A 17 10.847 -0.347 -4.460 1.00 0.00 H new ATOM 0 HD2 PHE A 17 11.547 -0.133 -8.656 1.00 0.00 H new ATOM 0 HE1 PHE A 17 9.328 1.575 -4.612 1.00 0.00 H new ATOM 0 HE2 PHE A 17 10.027 1.792 -8.813 1.00 0.00 H new ATOM 0 HZ PHE A 17 8.917 2.651 -6.789 1.00 0.00 H new ATOM 271 N LYS A 18 13.217 -4.615 -6.825 1.00 0.00 N ATOM 272 CA LYS A 18 14.131 -5.672 -6.401 1.00 0.00 C ATOM 273 C LYS A 18 15.043 -5.218 -5.259 1.00 0.00 C ATOM 274 O LYS A 18 15.666 -6.047 -4.593 1.00 0.00 O ATOM 275 CB LYS A 18 14.982 -6.135 -7.586 1.00 0.00 C ATOM 276 CG LYS A 18 15.779 -5.013 -8.238 1.00 0.00 C ATOM 277 CD LYS A 18 17.225 -5.417 -8.471 1.00 0.00 C ATOM 278 CE LYS A 18 17.333 -6.557 -9.471 1.00 0.00 C ATOM 279 NZ LYS A 18 16.869 -6.154 -10.826 1.00 0.00 N ATOM 0 H LYS A 18 13.250 -4.409 -7.824 1.00 0.00 H new ATOM 0 HA LYS A 18 13.524 -6.500 -6.034 1.00 0.00 H new ATOM 0 HB2 LYS A 18 15.670 -6.910 -7.248 1.00 0.00 H new ATOM 0 HB3 LYS A 18 14.332 -6.590 -8.334 1.00 0.00 H new ATOM 0 HG2 LYS A 18 15.318 -4.743 -9.188 1.00 0.00 H new ATOM 0 HG3 LYS A 18 15.746 -4.127 -7.605 1.00 0.00 H new ATOM 0 HD2 LYS A 18 17.789 -4.558 -8.835 1.00 0.00 H new ATOM 0 HD3 LYS A 18 17.676 -5.718 -7.525 1.00 0.00 H new ATOM 0 HE2 LYS A 18 18.368 -6.893 -9.527 1.00 0.00 H new ATOM 0 HE3 LYS A 18 16.741 -7.403 -9.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 17.159 -6.872 -11.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 15.832 -6.070 -10.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 17.291 -5.238 -11.079 1.00 0.00 H new ATOM 293 N VAL A 19 15.134 -3.909 -5.038 1.00 0.00 N ATOM 294 CA VAL A 19 15.989 -3.379 -3.981 1.00 0.00 C ATOM 295 C VAL A 19 15.184 -2.838 -2.804 1.00 0.00 C ATOM 296 O VAL A 19 14.299 -1.997 -2.972 1.00 0.00 O ATOM 297 CB VAL A 19 16.903 -2.258 -4.514 1.00 0.00 C ATOM 298 CG1 VAL A 19 17.933 -1.866 -3.465 1.00 0.00 C ATOM 299 CG2 VAL A 19 17.582 -2.689 -5.804 1.00 0.00 C ATOM 0 H VAL A 19 14.630 -3.201 -5.572 1.00 0.00 H new ATOM 0 HA VAL A 19 16.595 -4.216 -3.634 1.00 0.00 H new ATOM 0 HB VAL A 19 16.288 -1.385 -4.730 1.00 0.00 H new ATOM 0 HG11 VAL A 19 18.570 -1.074 -3.858 1.00 0.00 H new ATOM 0 HG12 VAL A 19 17.423 -1.511 -2.569 1.00 0.00 H new ATOM 0 HG13 VAL A 19 18.545 -2.732 -3.215 1.00 0.00 H new ATOM 0 HG21 VAL A 19 18.223 -1.884 -6.164 1.00 0.00 H new ATOM 0 HG22 VAL A 19 18.185 -3.578 -5.618 1.00 0.00 H new ATOM 0 HG23 VAL A 19 16.825 -2.915 -6.556 1.00 0.00 H new ATOM 309 N LYS A 20 15.511 -3.322 -1.609 1.00 0.00 N ATOM 310 CA LYS A 20 14.845 -2.898 -0.388 1.00 0.00 C ATOM 311 C LYS A 20 15.207 -1.459 -0.060 1.00 0.00 C ATOM 312 O LYS A 20 14.348 -0.673 0.334 1.00 0.00 O ATOM 313 CB LYS A 20 15.235 -3.814 0.774 1.00 0.00 C ATOM 314 CG LYS A 20 14.627 -3.401 2.107 1.00 0.00 C ATOM 315 CD LYS A 20 15.684 -3.281 3.192 1.00 0.00 C ATOM 316 CE LYS A 20 16.344 -1.910 3.177 1.00 0.00 C ATOM 317 NZ LYS A 20 17.424 -1.801 4.197 1.00 0.00 N ATOM 0 H LYS A 20 16.243 -4.017 -1.463 1.00 0.00 H new ATOM 0 HA LYS A 20 13.768 -2.962 -0.541 1.00 0.00 H new ATOM 0 HB2 LYS A 20 14.924 -4.833 0.543 1.00 0.00 H new ATOM 0 HB3 LYS A 20 16.321 -3.826 0.868 1.00 0.00 H new ATOM 0 HG2 LYS A 20 14.113 -2.447 1.993 1.00 0.00 H new ATOM 0 HG3 LYS A 20 13.878 -4.133 2.408 1.00 0.00 H new ATOM 0 HD2 LYS A 20 15.228 -3.456 4.167 1.00 0.00 H new ATOM 0 HD3 LYS A 20 16.441 -4.052 3.051 1.00 0.00 H new ATOM 0 HE2 LYS A 20 16.759 -1.718 2.187 1.00 0.00 H new ATOM 0 HE3 LYS A 20 15.592 -1.143 3.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 17.848 -0.852 4.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 17.024 -1.959 5.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 18.155 -2.516 4.006 1.00 0.00 H new ATOM 331 N ALA A 21 16.480 -1.106 -0.239 1.00 0.00 N ATOM 332 CA ALA A 21 16.930 0.255 0.026 1.00 0.00 C ATOM 333 C ALA A 21 16.053 1.240 -0.731 1.00 0.00 C ATOM 334 O ALA A 21 15.757 2.335 -0.248 1.00 0.00 O ATOM 335 CB ALA A 21 18.389 0.421 -0.371 1.00 0.00 C ATOM 0 H ALA A 21 17.210 -1.740 -0.564 1.00 0.00 H new ATOM 0 HA ALA A 21 16.846 0.456 1.094 1.00 0.00 H new ATOM 0 HB1 ALA A 21 18.708 1.443 -0.166 1.00 0.00 H new ATOM 0 HB2 ALA A 21 19.003 -0.273 0.203 1.00 0.00 H new ATOM 0 HB3 ALA A 21 18.503 0.212 -1.435 1.00 0.00 H new ATOM 341 N ASN A 22 15.613 0.821 -1.912 1.00 0.00 N ATOM 342 CA ASN A 22 14.739 1.636 -2.732 1.00 0.00 C ATOM 343 C ASN A 22 13.339 1.620 -2.138 1.00 0.00 C ATOM 344 O ASN A 22 12.609 2.611 -2.209 1.00 0.00 O ATOM 345 CB ASN A 22 14.708 1.116 -4.171 1.00 0.00 C ATOM 346 CG ASN A 22 15.866 1.639 -4.999 1.00 0.00 C ATOM 347 OD1 ASN A 22 15.671 2.227 -6.062 1.00 0.00 O ATOM 348 ND2 ASN A 22 17.084 1.423 -4.515 1.00 0.00 N ATOM 0 H ASN A 22 15.851 -0.083 -2.320 1.00 0.00 H new ATOM 0 HA ASN A 22 15.117 2.658 -2.750 1.00 0.00 H new ATOM 0 HB2 ASN A 22 14.734 0.026 -4.161 1.00 0.00 H new ATOM 0 HB3 ASN A 22 13.768 1.408 -4.640 1.00 0.00 H new ATOM 0 HD21 ASN A 22 17.902 1.749 -5.029 1.00 0.00 H new ATOM 0 HD22 ASN A 22 17.201 0.931 -3.629 1.00 0.00 H new ATOM 355 N ALA A 23 12.976 0.488 -1.536 1.00 0.00 N ATOM 356 CA ALA A 23 11.668 0.350 -0.911 1.00 0.00 C ATOM 357 C ALA A 23 11.602 1.132 0.401 1.00 0.00 C ATOM 358 O ALA A 23 10.518 1.429 0.906 1.00 0.00 O ATOM 359 CB ALA A 23 11.351 -1.119 -0.668 1.00 0.00 C ATOM 0 H ALA A 23 13.568 -0.340 -1.470 1.00 0.00 H new ATOM 0 HA ALA A 23 10.922 0.764 -1.590 1.00 0.00 H new ATOM 0 HB1 ALA A 23 10.370 -1.207 -0.200 1.00 0.00 H new ATOM 0 HB2 ALA A 23 11.349 -1.653 -1.618 1.00 0.00 H new ATOM 0 HB3 ALA A 23 12.106 -1.550 -0.011 1.00 0.00 H new ATOM 365 N ASP A 24 12.771 1.463 0.949 1.00 0.00 N ATOM 366 CA ASP A 24 12.852 2.210 2.200 1.00 0.00 C ATOM 367 C ASP A 24 12.727 3.706 1.942 1.00 0.00 C ATOM 368 O ASP A 24 12.078 4.426 2.701 1.00 0.00 O ATOM 369 CB ASP A 24 14.173 1.910 2.912 1.00 0.00 C ATOM 370 CG ASP A 24 14.007 0.914 4.043 1.00 0.00 C ATOM 371 OD1 ASP A 24 13.418 -0.161 3.805 1.00 0.00 O ATOM 372 OD2 ASP A 24 14.467 1.207 5.165 1.00 0.00 O ATOM 0 H ASP A 24 13.676 1.224 0.544 1.00 0.00 H new ATOM 0 HA ASP A 24 12.026 1.898 2.839 1.00 0.00 H new ATOM 0 HB2 ASP A 24 14.891 1.520 2.191 1.00 0.00 H new ATOM 0 HB3 ASP A 24 14.589 2.837 3.306 1.00 0.00 H new ATOM 377 N SER A 25 13.334 4.166 0.852 1.00 0.00 N ATOM 378 CA SER A 25 13.267 5.575 0.487 1.00 0.00 C ATOM 379 C SER A 25 11.841 5.931 0.093 1.00 0.00 C ATOM 380 O SER A 25 11.342 7.013 0.406 1.00 0.00 O ATOM 381 CB SER A 25 14.223 5.875 -0.669 1.00 0.00 C ATOM 382 OG SER A 25 13.898 7.102 -1.296 1.00 0.00 O ATOM 0 H SER A 25 13.875 3.586 0.210 1.00 0.00 H new ATOM 0 HA SER A 25 13.566 6.178 1.345 1.00 0.00 H new ATOM 0 HB2 SER A 25 15.247 5.913 -0.297 1.00 0.00 H new ATOM 0 HB3 SER A 25 14.179 5.067 -1.400 1.00 0.00 H new ATOM 0 HG SER A 25 14.525 7.270 -2.030 1.00 0.00 H new ATOM 388 N LEU A 26 11.187 4.995 -0.583 1.00 0.00 N ATOM 389 CA LEU A 26 9.812 5.175 -1.020 1.00 0.00 C ATOM 390 C LEU A 26 8.886 5.263 0.192 1.00 0.00 C ATOM 391 O LEU A 26 8.100 6.204 0.326 1.00 0.00 O ATOM 392 CB LEU A 26 9.402 4.013 -1.925 1.00 0.00 C ATOM 393 CG LEU A 26 7.986 4.086 -2.497 1.00 0.00 C ATOM 394 CD1 LEU A 26 7.800 5.344 -3.327 1.00 0.00 C ATOM 395 CD2 LEU A 26 7.688 2.853 -3.335 1.00 0.00 C ATOM 0 H LEU A 26 11.593 4.096 -0.842 1.00 0.00 H new ATOM 0 HA LEU A 26 9.732 6.104 -1.584 1.00 0.00 H new ATOM 0 HB2 LEU A 26 10.107 3.957 -2.755 1.00 0.00 H new ATOM 0 HB3 LEU A 26 9.499 3.085 -1.361 1.00 0.00 H new ATOM 0 HG LEU A 26 7.285 4.121 -1.663 1.00 0.00 H new ATOM 0 HD11 LEU A 26 6.785 5.372 -3.723 1.00 0.00 H new ATOM 0 HD12 LEU A 26 7.970 6.221 -2.702 1.00 0.00 H new ATOM 0 HD13 LEU A 26 8.511 5.343 -4.153 1.00 0.00 H new ATOM 0 HD21 LEU A 26 6.676 2.921 -3.735 1.00 0.00 H new ATOM 0 HD22 LEU A 26 8.400 2.792 -4.158 1.00 0.00 H new ATOM 0 HD23 LEU A 26 7.774 1.961 -2.714 1.00 0.00 H new ATOM 407 N ALA A 27 8.995 4.282 1.084 1.00 0.00 N ATOM 408 CA ALA A 27 8.181 4.258 2.291 1.00 0.00 C ATOM 409 C ALA A 27 8.421 5.513 3.126 1.00 0.00 C ATOM 410 O ALA A 27 7.567 5.927 3.910 1.00 0.00 O ATOM 411 CB ALA A 27 8.481 3.009 3.109 1.00 0.00 C ATOM 0 H ALA A 27 9.638 3.496 0.992 1.00 0.00 H new ATOM 0 HA ALA A 27 7.131 4.237 1.998 1.00 0.00 H new ATOM 0 HB1 ALA A 27 7.865 3.006 4.008 1.00 0.00 H new ATOM 0 HB2 ALA A 27 8.260 2.123 2.514 1.00 0.00 H new ATOM 0 HB3 ALA A 27 9.534 3.003 3.391 1.00 0.00 H new ATOM 417 N SER A 28 9.590 6.119 2.942 1.00 0.00 N ATOM 418 CA SER A 28 9.946 7.334 3.665 1.00 0.00 C ATOM 419 C SER A 28 9.129 8.513 3.151 1.00 0.00 C ATOM 420 O SER A 28 8.670 9.352 3.930 1.00 0.00 O ATOM 421 CB SER A 28 11.441 7.623 3.516 1.00 0.00 C ATOM 422 OG SER A 28 12.175 7.078 4.599 1.00 0.00 O ATOM 0 H SER A 28 10.307 5.787 2.297 1.00 0.00 H new ATOM 0 HA SER A 28 9.723 7.187 4.722 1.00 0.00 H new ATOM 0 HB2 SER A 28 11.804 7.203 2.578 1.00 0.00 H new ATOM 0 HB3 SER A 28 11.604 8.700 3.467 1.00 0.00 H new ATOM 0 HG SER A 28 13.128 7.274 4.480 1.00 0.00 H new ATOM 428 N ASN A 29 8.949 8.572 1.835 1.00 0.00 N ATOM 429 CA ASN A 29 8.182 9.648 1.219 1.00 0.00 C ATOM 430 C ASN A 29 6.746 9.647 1.732 1.00 0.00 C ATOM 431 O ASN A 29 6.217 10.685 2.123 1.00 0.00 O ATOM 432 CB ASN A 29 8.217 9.521 -0.312 1.00 0.00 C ATOM 433 CG ASN A 29 7.079 8.697 -0.889 1.00 0.00 C ATOM 434 OD1 ASN A 29 5.905 8.991 -0.672 1.00 0.00 O ATOM 435 ND2 ASN A 29 7.424 7.661 -1.635 1.00 0.00 N ATOM 0 H ASN A 29 9.323 7.889 1.176 1.00 0.00 H new ATOM 0 HA ASN A 29 8.637 10.600 1.494 1.00 0.00 H new ATOM 0 HB2 ASN A 29 8.188 10.519 -0.750 1.00 0.00 H new ATOM 0 HB3 ASN A 29 9.165 9.070 -0.608 1.00 0.00 H new ATOM 0 HD21 ASN A 29 6.704 7.072 -2.054 1.00 0.00 H new ATOM 0 HD22 ASN A 29 8.410 7.451 -1.791 1.00 0.00 H new ATOM 442 N ALA A 30 6.122 8.472 1.723 1.00 0.00 N ATOM 443 CA ALA A 30 4.749 8.342 2.185 1.00 0.00 C ATOM 444 C ALA A 30 4.627 8.801 3.628 1.00 0.00 C ATOM 445 O ALA A 30 3.684 9.503 3.992 1.00 0.00 O ATOM 446 CB ALA A 30 4.277 6.905 2.042 1.00 0.00 C ATOM 0 H ALA A 30 6.546 7.602 1.402 1.00 0.00 H new ATOM 0 HA ALA A 30 4.115 8.978 1.568 1.00 0.00 H new ATOM 0 HB1 ALA A 30 3.248 6.824 2.392 1.00 0.00 H new ATOM 0 HB2 ALA A 30 4.329 6.607 0.995 1.00 0.00 H new ATOM 0 HB3 ALA A 30 4.915 6.252 2.637 1.00 0.00 H new ATOM 452 N GLU A 31 5.594 8.404 4.447 1.00 0.00 N ATOM 453 CA GLU A 31 5.599 8.779 5.855 1.00 0.00 C ATOM 454 C GLU A 31 5.520 10.295 5.995 1.00 0.00 C ATOM 455 O GLU A 31 4.858 10.814 6.895 1.00 0.00 O ATOM 456 CB GLU A 31 6.860 8.250 6.539 1.00 0.00 C ATOM 457 CG GLU A 31 6.840 8.403 8.052 1.00 0.00 C ATOM 458 CD GLU A 31 8.019 9.199 8.575 1.00 0.00 C ATOM 459 OE1 GLU A 31 9.172 8.772 8.346 1.00 0.00 O ATOM 460 OE2 GLU A 31 7.793 10.246 9.215 1.00 0.00 O ATOM 0 H GLU A 31 6.383 7.824 4.161 1.00 0.00 H new ATOM 0 HA GLU A 31 4.728 8.336 6.338 1.00 0.00 H new ATOM 0 HB2 GLU A 31 6.984 7.196 6.290 1.00 0.00 H new ATOM 0 HB3 GLU A 31 7.728 8.776 6.140 1.00 0.00 H new ATOM 0 HG2 GLU A 31 5.914 8.894 8.351 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.840 7.415 8.513 1.00 0.00 H new ATOM 467 N ALA A 32 6.191 10.994 5.087 1.00 0.00 N ATOM 468 CA ALA A 32 6.199 12.452 5.084 1.00 0.00 C ATOM 469 C ALA A 32 4.776 12.989 5.071 1.00 0.00 C ATOM 470 O ALA A 32 4.405 13.814 5.904 1.00 0.00 O ATOM 471 CB ALA A 32 6.978 12.975 3.886 1.00 0.00 C ATOM 0 H ALA A 32 6.740 10.571 4.339 1.00 0.00 H new ATOM 0 HA ALA A 32 6.690 12.799 5.993 1.00 0.00 H new ATOM 0 HB1 ALA A 32 6.975 14.065 3.898 1.00 0.00 H new ATOM 0 HB2 ALA A 32 8.006 12.614 3.935 1.00 0.00 H new ATOM 0 HB3 ALA A 32 6.512 12.621 2.966 1.00 0.00 H new ATOM 477 N LYS A 33 3.971 12.494 4.133 1.00 0.00 N ATOM 478 CA LYS A 33 2.579 12.914 4.044 1.00 0.00 C ATOM 479 C LYS A 33 1.853 12.513 5.317 1.00 0.00 C ATOM 480 O LYS A 33 0.901 13.168 5.744 1.00 0.00 O ATOM 481 CB LYS A 33 1.900 12.274 2.836 1.00 0.00 C ATOM 482 CG LYS A 33 2.186 12.990 1.527 1.00 0.00 C ATOM 483 CD LYS A 33 1.356 14.258 1.394 1.00 0.00 C ATOM 484 CE LYS A 33 2.186 15.412 0.857 1.00 0.00 C ATOM 485 NZ LYS A 33 1.478 16.716 0.996 1.00 0.00 N ATOM 0 H LYS A 33 4.256 11.810 3.433 1.00 0.00 H new ATOM 0 HA LYS A 33 2.542 13.997 3.924 1.00 0.00 H new ATOM 0 HB2 LYS A 33 2.227 11.238 2.753 1.00 0.00 H new ATOM 0 HB3 LYS A 33 0.823 12.256 3.003 1.00 0.00 H new ATOM 0 HG2 LYS A 33 3.246 13.240 1.471 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.971 12.324 0.692 1.00 0.00 H new ATOM 0 HD2 LYS A 33 0.513 14.074 0.728 1.00 0.00 H new ATOM 0 HD3 LYS A 33 0.942 14.527 2.366 1.00 0.00 H new ATOM 0 HE2 LYS A 33 3.136 15.456 1.390 1.00 0.00 H new ATOM 0 HE3 LYS A 33 2.418 15.235 -0.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 2.077 17.478 0.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 0.584 16.684 0.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 1.279 16.898 2.000 1.00 0.00 H new ATOM 499 N GLY A 34 2.331 11.435 5.931 1.00 0.00 N ATOM 500 CA GLY A 34 1.751 10.954 7.163 1.00 0.00 C ATOM 501 C GLY A 34 1.012 9.644 6.990 1.00 0.00 C ATOM 502 O GLY A 34 0.016 9.391 7.667 1.00 0.00 O ATOM 0 H GLY A 34 3.118 10.884 5.589 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.539 10.826 7.905 1.00 0.00 H new ATOM 0 HA3 GLY A 34 1.064 11.705 7.554 1.00 0.00 H new ATOM 506 N PHE A 35 1.509 8.804 6.089 1.00 0.00 N ATOM 507 CA PHE A 35 0.896 7.510 5.842 1.00 0.00 C ATOM 508 C PHE A 35 1.717 6.398 6.480 1.00 0.00 C ATOM 509 O PHE A 35 2.878 6.595 6.839 1.00 0.00 O ATOM 510 CB PHE A 35 0.767 7.268 4.341 1.00 0.00 C ATOM 511 CG PHE A 35 0.227 8.448 3.589 1.00 0.00 C ATOM 512 CD1 PHE A 35 -0.723 9.280 4.159 1.00 0.00 C ATOM 513 CD2 PHE A 35 0.675 8.725 2.311 1.00 0.00 C ATOM 514 CE1 PHE A 35 -1.215 10.367 3.465 1.00 0.00 C ATOM 515 CE2 PHE A 35 0.189 9.812 1.611 1.00 0.00 C ATOM 516 CZ PHE A 35 -0.759 10.634 2.189 1.00 0.00 C ATOM 0 H PHE A 35 2.333 8.998 5.520 1.00 0.00 H new ATOM 0 HA PHE A 35 -0.098 7.508 6.289 1.00 0.00 H new ATOM 0 HB2 PHE A 35 1.745 7.007 3.938 1.00 0.00 H new ATOM 0 HB3 PHE A 35 0.114 6.411 4.174 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -1.082 9.076 5.157 1.00 0.00 H new ATOM 0 HD2 PHE A 35 1.414 8.084 1.854 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -1.956 11.008 3.919 1.00 0.00 H new ATOM 0 HE2 PHE A 35 0.549 10.019 0.614 1.00 0.00 H new ATOM 0 HZ PHE A 35 -1.143 11.484 1.644 1.00 0.00 H new ATOM 526 N ASP A 36 1.110 5.227 6.608 1.00 0.00 N ATOM 527 CA ASP A 36 1.792 4.080 7.188 1.00 0.00 C ATOM 528 C ASP A 36 2.486 3.282 6.095 1.00 0.00 C ATOM 529 O ASP A 36 1.878 2.413 5.470 1.00 0.00 O ATOM 530 CB ASP A 36 0.799 3.191 7.940 1.00 0.00 C ATOM 531 CG ASP A 36 0.177 3.895 9.128 1.00 0.00 C ATOM 532 OD1 ASP A 36 -0.579 4.866 8.915 1.00 0.00 O ATOM 533 OD2 ASP A 36 0.445 3.477 10.274 1.00 0.00 O ATOM 0 H ASP A 36 0.149 5.047 6.319 1.00 0.00 H new ATOM 0 HA ASP A 36 2.540 4.439 7.896 1.00 0.00 H new ATOM 0 HB2 ASP A 36 0.012 2.872 7.257 1.00 0.00 H new ATOM 0 HB3 ASP A 36 1.309 2.290 8.281 1.00 0.00 H new ATOM 538 N SER A 37 3.756 3.594 5.849 1.00 0.00 N ATOM 539 CA SER A 37 4.510 2.914 4.808 1.00 0.00 C ATOM 540 C SER A 37 5.038 1.574 5.298 1.00 0.00 C ATOM 541 O SER A 37 5.680 1.484 6.343 1.00 0.00 O ATOM 542 CB SER A 37 5.668 3.792 4.334 1.00 0.00 C ATOM 543 OG SER A 37 5.243 5.130 4.142 1.00 0.00 O ATOM 0 H SER A 37 4.279 4.309 6.355 1.00 0.00 H new ATOM 0 HA SER A 37 3.836 2.729 3.971 1.00 0.00 H new ATOM 0 HB2 SER A 37 6.474 3.764 5.067 1.00 0.00 H new ATOM 0 HB3 SER A 37 6.071 3.397 3.401 1.00 0.00 H new ATOM 0 HG SER A 37 5.998 5.737 4.287 1.00 0.00 H new ATOM 549 N ILE A 38 4.742 0.537 4.529 1.00 0.00 N ATOM 550 CA ILE A 38 5.154 -0.819 4.858 1.00 0.00 C ATOM 551 C ILE A 38 5.945 -1.435 3.709 1.00 0.00 C ATOM 552 O ILE A 38 5.597 -1.263 2.540 1.00 0.00 O ATOM 553 CB ILE A 38 3.917 -1.691 5.168 1.00 0.00 C ATOM 554 CG1 ILE A 38 4.271 -3.183 5.135 1.00 0.00 C ATOM 555 CG2 ILE A 38 2.804 -1.377 4.179 1.00 0.00 C ATOM 556 CD1 ILE A 38 3.589 -3.986 6.220 1.00 0.00 C ATOM 0 H ILE A 38 4.211 0.611 3.661 1.00 0.00 H new ATOM 0 HA ILE A 38 5.794 -0.778 5.740 1.00 0.00 H new ATOM 0 HB ILE A 38 3.571 -1.458 6.175 1.00 0.00 H new ATOM 0 HG12 ILE A 38 3.996 -3.593 4.163 1.00 0.00 H new ATOM 0 HG13 ILE A 38 5.351 -3.295 5.235 1.00 0.00 H new ATOM 0 HG21 ILE A 38 1.934 -1.995 4.402 1.00 0.00 H new ATOM 0 HG22 ILE A 38 2.532 -0.325 4.259 1.00 0.00 H new ATOM 0 HG23 ILE A 38 3.148 -1.587 3.166 1.00 0.00 H new ATOM 0 HD11 ILE A 38 3.884 -5.032 6.138 1.00 0.00 H new ATOM 0 HD12 ILE A 38 3.883 -3.602 7.197 1.00 0.00 H new ATOM 0 HD13 ILE A 38 2.508 -3.904 6.108 1.00 0.00 H new ATOM 568 N VAL A 39 7.009 -2.156 4.046 1.00 0.00 N ATOM 569 CA VAL A 39 7.845 -2.797 3.038 1.00 0.00 C ATOM 570 C VAL A 39 7.799 -4.315 3.168 1.00 0.00 C ATOM 571 O VAL A 39 8.280 -4.874 4.152 1.00 0.00 O ATOM 572 CB VAL A 39 9.307 -2.326 3.139 1.00 0.00 C ATOM 573 CG1 VAL A 39 10.125 -2.862 1.975 1.00 0.00 C ATOM 574 CG2 VAL A 39 9.376 -0.807 3.193 1.00 0.00 C ATOM 0 H VAL A 39 7.312 -2.311 5.007 1.00 0.00 H new ATOM 0 HA VAL A 39 7.445 -2.508 2.066 1.00 0.00 H new ATOM 0 HB VAL A 39 9.732 -2.720 4.062 1.00 0.00 H new ATOM 0 HG11 VAL A 39 11.155 -2.518 2.065 1.00 0.00 H new ATOM 0 HG12 VAL A 39 10.104 -3.952 1.987 1.00 0.00 H new ATOM 0 HG13 VAL A 39 9.703 -2.501 1.037 1.00 0.00 H new ATOM 0 HG21 VAL A 39 10.417 -0.492 3.264 1.00 0.00 H new ATOM 0 HG22 VAL A 39 8.932 -0.390 2.289 1.00 0.00 H new ATOM 0 HG23 VAL A 39 8.828 -0.449 4.065 1.00 0.00 H new ATOM 584 N LEU A 40 7.221 -4.978 2.170 1.00 0.00 N ATOM 585 CA LEU A 40 7.121 -6.433 2.180 1.00 0.00 C ATOM 586 C LEU A 40 8.099 -7.051 1.190 1.00 0.00 C ATOM 587 O LEU A 40 8.059 -6.755 -0.004 1.00 0.00 O ATOM 588 CB LEU A 40 5.688 -6.879 1.845 1.00 0.00 C ATOM 589 CG LEU A 40 5.567 -8.173 1.019 1.00 0.00 C ATOM 590 CD1 LEU A 40 6.354 -9.306 1.666 1.00 0.00 C ATOM 591 CD2 LEU A 40 4.105 -8.561 0.854 1.00 0.00 C ATOM 0 H LEU A 40 6.816 -4.532 1.347 1.00 0.00 H new ATOM 0 HA LEU A 40 7.374 -6.779 3.182 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.141 -7.013 2.778 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.195 -6.074 1.300 1.00 0.00 H new ATOM 0 HG LEU A 40 5.991 -7.990 0.032 1.00 0.00 H new ATOM 0 HD11 LEU A 40 6.253 -10.209 1.064 1.00 0.00 H new ATOM 0 HD12 LEU A 40 7.406 -9.028 1.730 1.00 0.00 H new ATOM 0 HD13 LEU A 40 5.967 -9.492 2.668 1.00 0.00 H new ATOM 0 HD21 LEU A 40 4.036 -9.477 0.268 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.659 -8.723 1.835 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.572 -7.761 0.340 1.00 0.00 H new ATOM 603 N LEU A 41 8.973 -7.910 1.693 1.00 0.00 N ATOM 604 CA LEU A 41 9.954 -8.570 0.849 1.00 0.00 C ATOM 605 C LEU A 41 9.313 -9.708 0.060 1.00 0.00 C ATOM 606 O LEU A 41 8.974 -10.754 0.613 1.00 0.00 O ATOM 607 CB LEU A 41 11.128 -9.091 1.689 1.00 0.00 C ATOM 608 CG LEU A 41 11.915 -10.255 1.077 1.00 0.00 C ATOM 609 CD1 LEU A 41 12.276 -9.962 -0.373 1.00 0.00 C ATOM 610 CD2 LEU A 41 13.169 -10.537 1.893 1.00 0.00 C ATOM 0 H LEU A 41 9.022 -8.165 2.679 1.00 0.00 H new ATOM 0 HA LEU A 41 10.338 -7.837 0.139 1.00 0.00 H new ATOM 0 HB2 LEU A 41 11.817 -8.266 1.870 1.00 0.00 H new ATOM 0 HB3 LEU A 41 10.745 -9.405 2.660 1.00 0.00 H new ATOM 0 HG LEU A 41 11.282 -11.142 1.097 1.00 0.00 H new ATOM 0 HD11 LEU A 41 12.834 -10.802 -0.786 1.00 0.00 H new ATOM 0 HD12 LEU A 41 11.365 -9.812 -0.952 1.00 0.00 H new ATOM 0 HD13 LEU A 41 12.888 -9.061 -0.421 1.00 0.00 H new ATOM 0 HD21 LEU A 41 13.716 -11.366 1.445 1.00 0.00 H new ATOM 0 HD22 LEU A 41 13.802 -9.650 1.906 1.00 0.00 H new ATOM 0 HD23 LEU A 41 12.888 -10.797 2.914 1.00 0.00 H new ATOM 622 N LYS A 42 9.160 -9.484 -1.236 1.00 0.00 N ATOM 623 CA LYS A 42 8.572 -10.464 -2.138 1.00 0.00 C ATOM 624 C LYS A 42 9.663 -11.352 -2.717 1.00 0.00 C ATOM 625 O LYS A 42 10.843 -11.031 -2.615 1.00 0.00 O ATOM 626 CB LYS A 42 7.831 -9.755 -3.268 1.00 0.00 C ATOM 627 CG LYS A 42 7.060 -10.690 -4.180 1.00 0.00 C ATOM 628 CD LYS A 42 7.896 -11.095 -5.387 1.00 0.00 C ATOM 629 CE LYS A 42 7.758 -10.088 -6.514 1.00 0.00 C ATOM 630 NZ LYS A 42 6.334 -9.828 -6.858 1.00 0.00 N ATOM 0 H LYS A 42 9.440 -8.616 -1.693 1.00 0.00 H new ATOM 0 HA LYS A 42 7.866 -11.080 -1.581 1.00 0.00 H new ATOM 0 HB2 LYS A 42 7.139 -9.031 -2.837 1.00 0.00 H new ATOM 0 HB3 LYS A 42 8.550 -9.193 -3.864 1.00 0.00 H new ATOM 0 HG2 LYS A 42 6.762 -11.580 -3.625 1.00 0.00 H new ATOM 0 HG3 LYS A 42 6.145 -10.202 -4.515 1.00 0.00 H new ATOM 0 HD2 LYS A 42 8.943 -11.178 -5.096 1.00 0.00 H new ATOM 0 HD3 LYS A 42 7.583 -12.079 -5.735 1.00 0.00 H new ATOM 0 HE2 LYS A 42 8.238 -9.153 -6.225 1.00 0.00 H new ATOM 0 HE3 LYS A 42 8.282 -10.456 -7.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 6.229 -9.785 -7.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 5.740 -10.594 -6.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 6.036 -8.922 -6.442 1.00 0.00 H new ATOM 644 N ASP A 43 9.264 -12.469 -3.313 1.00 0.00 N ATOM 645 CA ASP A 43 10.216 -13.402 -3.900 1.00 0.00 C ATOM 646 C ASP A 43 11.038 -12.749 -5.013 1.00 0.00 C ATOM 647 O ASP A 43 10.927 -13.125 -6.181 1.00 0.00 O ATOM 648 CB ASP A 43 9.484 -14.632 -4.441 1.00 0.00 C ATOM 649 CG ASP A 43 10.262 -15.914 -4.214 1.00 0.00 C ATOM 650 OD1 ASP A 43 11.450 -15.964 -4.592 1.00 0.00 O ATOM 651 OD2 ASP A 43 9.680 -16.870 -3.656 1.00 0.00 O ATOM 0 H ASP A 43 8.288 -12.750 -3.402 1.00 0.00 H new ATOM 0 HA ASP A 43 10.906 -13.708 -3.113 1.00 0.00 H new ATOM 0 HB2 ASP A 43 8.509 -14.712 -3.960 1.00 0.00 H new ATOM 0 HB3 ASP A 43 9.304 -14.504 -5.508 1.00 0.00 H new ATOM 656 N GLY A 44 11.871 -11.780 -4.644 1.00 0.00 N ATOM 657 CA GLY A 44 12.708 -11.108 -5.620 1.00 0.00 C ATOM 658 C GLY A 44 12.487 -9.606 -5.682 1.00 0.00 C ATOM 659 O GLY A 44 13.315 -8.884 -6.240 1.00 0.00 O ATOM 0 H GLY A 44 11.981 -11.449 -3.686 1.00 0.00 H new ATOM 0 HA2 GLY A 44 13.754 -11.303 -5.384 1.00 0.00 H new ATOM 0 HA3 GLY A 44 12.518 -11.535 -6.605 1.00 0.00 H new ATOM 663 N LEU A 45 11.372 -9.125 -5.133 1.00 0.00 N ATOM 664 CA LEU A 45 11.077 -7.692 -5.167 1.00 0.00 C ATOM 665 C LEU A 45 10.548 -7.175 -3.833 1.00 0.00 C ATOM 666 O LEU A 45 9.926 -7.903 -3.075 1.00 0.00 O ATOM 667 CB LEU A 45 10.050 -7.384 -6.259 1.00 0.00 C ATOM 668 CG LEU A 45 10.144 -8.264 -7.507 1.00 0.00 C ATOM 669 CD1 LEU A 45 9.058 -7.887 -8.506 1.00 0.00 C ATOM 670 CD2 LEU A 45 11.522 -8.135 -8.137 1.00 0.00 C ATOM 0 H LEU A 45 10.667 -9.696 -4.666 1.00 0.00 H new ATOM 0 HA LEU A 45 12.019 -7.186 -5.380 1.00 0.00 H new ATOM 0 HB2 LEU A 45 9.051 -7.487 -5.836 1.00 0.00 H new ATOM 0 HB3 LEU A 45 10.163 -6.342 -6.559 1.00 0.00 H new ATOM 0 HG LEU A 45 9.993 -9.303 -7.215 1.00 0.00 H new ATOM 0 HD11 LEU A 45 9.139 -8.522 -9.388 1.00 0.00 H new ATOM 0 HD12 LEU A 45 8.079 -8.025 -8.048 1.00 0.00 H new ATOM 0 HD13 LEU A 45 9.178 -6.844 -8.798 1.00 0.00 H new ATOM 0 HD21 LEU A 45 11.577 -8.766 -9.024 1.00 0.00 H new ATOM 0 HD22 LEU A 45 11.698 -7.097 -8.418 1.00 0.00 H new ATOM 0 HD23 LEU A 45 12.281 -8.450 -7.420 1.00 0.00 H new ATOM 682 N TYR A 46 10.780 -5.895 -3.582 1.00 0.00 N ATOM 683 CA TYR A 46 10.305 -5.244 -2.369 1.00 0.00 C ATOM 684 C TYR A 46 9.190 -4.268 -2.718 1.00 0.00 C ATOM 685 O TYR A 46 9.345 -3.441 -3.612 1.00 0.00 O ATOM 686 CB TYR A 46 11.447 -4.507 -1.672 1.00 0.00 C ATOM 687 CG TYR A 46 12.305 -5.413 -0.826 1.00 0.00 C ATOM 688 CD1 TYR A 46 13.158 -6.334 -1.417 1.00 0.00 C ATOM 689 CD2 TYR A 46 12.249 -5.362 0.560 1.00 0.00 C ATOM 690 CE1 TYR A 46 13.932 -7.176 -0.651 1.00 0.00 C ATOM 691 CE2 TYR A 46 13.024 -6.201 1.334 1.00 0.00 C ATOM 692 CZ TYR A 46 13.865 -7.108 0.725 1.00 0.00 C ATOM 693 OH TYR A 46 14.638 -7.949 1.491 1.00 0.00 O ATOM 0 H TYR A 46 11.300 -5.281 -4.209 1.00 0.00 H new ATOM 0 HA TYR A 46 9.921 -6.004 -1.688 1.00 0.00 H new ATOM 0 HB2 TYR A 46 12.071 -4.022 -2.423 1.00 0.00 H new ATOM 0 HB3 TYR A 46 11.033 -3.718 -1.044 1.00 0.00 H new ATOM 0 HD1 TYR A 46 13.216 -6.391 -2.494 1.00 0.00 H new ATOM 0 HD2 TYR A 46 11.589 -4.655 1.040 1.00 0.00 H new ATOM 0 HE1 TYR A 46 14.590 -7.888 -1.126 1.00 0.00 H new ATOM 0 HE2 TYR A 46 12.972 -6.148 2.411 1.00 0.00 H new ATOM 0 HH TYR A 46 14.415 -7.827 2.437 1.00 0.00 H new ATOM 703 N LYS A 47 8.070 -4.365 -2.018 1.00 0.00 N ATOM 704 CA LYS A 47 6.936 -3.480 -2.280 1.00 0.00 C ATOM 705 C LYS A 47 6.735 -2.490 -1.152 1.00 0.00 C ATOM 706 O LYS A 47 7.067 -2.764 0.001 1.00 0.00 O ATOM 707 CB LYS A 47 5.653 -4.281 -2.496 1.00 0.00 C ATOM 708 CG LYS A 47 5.881 -5.648 -3.110 1.00 0.00 C ATOM 709 CD LYS A 47 5.884 -6.733 -2.049 1.00 0.00 C ATOM 710 CE LYS A 47 5.067 -7.933 -2.487 1.00 0.00 C ATOM 711 NZ LYS A 47 3.625 -7.595 -2.651 1.00 0.00 N ATOM 0 H LYS A 47 7.918 -5.041 -1.269 1.00 0.00 H new ATOM 0 HA LYS A 47 7.165 -2.927 -3.191 1.00 0.00 H new ATOM 0 HB2 LYS A 47 5.146 -4.403 -1.539 1.00 0.00 H new ATOM 0 HB3 LYS A 47 4.984 -3.711 -3.140 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.101 -5.855 -3.843 1.00 0.00 H new ATOM 0 HG3 LYS A 47 6.831 -5.656 -3.644 1.00 0.00 H new ATOM 0 HD2 LYS A 47 6.909 -7.043 -1.845 1.00 0.00 H new ATOM 0 HD3 LYS A 47 5.480 -6.335 -1.118 1.00 0.00 H new ATOM 0 HE2 LYS A 47 5.460 -8.315 -3.429 1.00 0.00 H new ATOM 0 HE3 LYS A 47 5.171 -8.731 -1.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 3.049 -8.447 -2.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 3.358 -6.866 -1.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 3.460 -7.235 -3.613 1.00 0.00 H new ATOM 725 N VAL A 48 6.182 -1.339 -1.498 1.00 0.00 N ATOM 726 CA VAL A 48 5.923 -0.295 -0.527 1.00 0.00 C ATOM 727 C VAL A 48 4.453 0.105 -0.534 1.00 0.00 C ATOM 728 O VAL A 48 3.984 0.791 -1.443 1.00 0.00 O ATOM 729 CB VAL A 48 6.806 0.936 -0.792 1.00 0.00 C ATOM 730 CG1 VAL A 48 6.526 2.038 0.222 1.00 0.00 C ATOM 731 CG2 VAL A 48 8.274 0.541 -0.765 1.00 0.00 C ATOM 0 H VAL A 48 5.903 -1.106 -2.451 1.00 0.00 H new ATOM 0 HA VAL A 48 6.169 -0.693 0.457 1.00 0.00 H new ATOM 0 HB VAL A 48 6.566 1.326 -1.781 1.00 0.00 H new ATOM 0 HG11 VAL A 48 7.164 2.897 0.012 1.00 0.00 H new ATOM 0 HG12 VAL A 48 5.480 2.338 0.154 1.00 0.00 H new ATOM 0 HG13 VAL A 48 6.734 1.669 1.227 1.00 0.00 H new ATOM 0 HG21 VAL A 48 8.891 1.420 -0.954 1.00 0.00 H new ATOM 0 HG22 VAL A 48 8.521 0.127 0.213 1.00 0.00 H new ATOM 0 HG23 VAL A 48 8.464 -0.207 -1.534 1.00 0.00 H new ATOM 741 N GLN A 49 3.735 -0.331 0.493 1.00 0.00 N ATOM 742 CA GLN A 49 2.318 -0.029 0.625 1.00 0.00 C ATOM 743 C GLN A 49 2.097 1.042 1.685 1.00 0.00 C ATOM 744 O GLN A 49 2.766 1.052 2.719 1.00 0.00 O ATOM 745 CB GLN A 49 1.542 -1.300 0.981 1.00 0.00 C ATOM 746 CG GLN A 49 0.058 -1.073 1.222 1.00 0.00 C ATOM 747 CD GLN A 49 -0.531 -2.072 2.199 1.00 0.00 C ATOM 748 OE1 GLN A 49 -0.611 -3.266 1.912 1.00 0.00 O ATOM 749 NE2 GLN A 49 -0.947 -1.585 3.363 1.00 0.00 N ATOM 0 H GLN A 49 4.115 -0.898 1.251 1.00 0.00 H new ATOM 0 HA GLN A 49 1.951 0.352 -0.328 1.00 0.00 H new ATOM 0 HB2 GLN A 49 1.662 -2.024 0.175 1.00 0.00 H new ATOM 0 HB3 GLN A 49 1.981 -1.743 1.875 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -0.095 -0.063 1.603 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -0.475 -1.139 0.274 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -0.861 -0.588 3.558 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -1.352 -2.209 4.061 1.00 0.00 H new ATOM 758 N ILE A 50 1.159 1.943 1.424 1.00 0.00 N ATOM 759 CA ILE A 50 0.856 3.015 2.356 1.00 0.00 C ATOM 760 C ILE A 50 -0.649 3.202 2.530 1.00 0.00 C ATOM 761 O ILE A 50 -1.380 3.435 1.572 1.00 0.00 O ATOM 762 CB ILE A 50 1.522 4.330 1.925 1.00 0.00 C ATOM 763 CG1 ILE A 50 1.215 4.658 0.460 1.00 0.00 C ATOM 764 CG2 ILE A 50 3.023 4.217 2.141 1.00 0.00 C ATOM 765 CD1 ILE A 50 0.221 5.778 0.286 1.00 0.00 C ATOM 0 H ILE A 50 0.596 1.951 0.574 1.00 0.00 H new ATOM 0 HA ILE A 50 1.267 2.727 3.323 1.00 0.00 H new ATOM 0 HB ILE A 50 1.121 5.143 2.530 1.00 0.00 H new ATOM 0 HG12 ILE A 50 2.143 4.926 -0.045 1.00 0.00 H new ATOM 0 HG13 ILE A 50 0.831 3.764 -0.031 1.00 0.00 H new ATOM 0 HG21 ILE A 50 3.505 5.146 1.838 1.00 0.00 H new ATOM 0 HG22 ILE A 50 3.226 4.030 3.196 1.00 0.00 H new ATOM 0 HG23 ILE A 50 3.415 3.393 1.545 1.00 0.00 H new ATOM 0 HD11 ILE A 50 0.053 5.954 -0.777 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -0.721 5.506 0.762 1.00 0.00 H new ATOM 0 HD13 ILE A 50 0.611 6.686 0.747 1.00 0.00 H new ATOM 777 N GLY A 51 -1.084 3.100 3.779 1.00 0.00 N ATOM 778 CA GLY A 51 -2.486 3.259 4.117 1.00 0.00 C ATOM 779 C GLY A 51 -3.299 2.002 3.874 1.00 0.00 C ATOM 780 O GLY A 51 -3.562 1.636 2.729 1.00 0.00 O ATOM 0 H GLY A 51 -0.479 2.907 4.577 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -2.571 3.544 5.166 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -2.906 4.076 3.530 1.00 0.00 H new ATOM 784 N ALA A 52 -3.704 1.344 4.956 1.00 0.00 N ATOM 785 CA ALA A 52 -4.500 0.126 4.863 1.00 0.00 C ATOM 786 C ALA A 52 -5.720 0.215 5.775 1.00 0.00 C ATOM 787 O ALA A 52 -5.585 0.419 6.982 1.00 0.00 O ATOM 788 CB ALA A 52 -3.656 -1.087 5.223 1.00 0.00 C ATOM 0 H ALA A 52 -3.493 1.636 5.910 1.00 0.00 H new ATOM 0 HA ALA A 52 -4.845 0.016 3.835 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -4.264 -1.988 5.149 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -2.813 -1.161 4.536 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -3.285 -0.982 6.243 1.00 0.00 H new ATOM 794 N PHE A 53 -6.908 0.075 5.196 1.00 0.00 N ATOM 795 CA PHE A 53 -8.141 0.158 5.972 1.00 0.00 C ATOM 796 C PHE A 53 -9.182 -0.839 5.476 1.00 0.00 C ATOM 797 O PHE A 53 -8.999 -1.491 4.445 1.00 0.00 O ATOM 798 CB PHE A 53 -8.716 1.576 5.911 1.00 0.00 C ATOM 799 CG PHE A 53 -7.671 2.654 5.861 1.00 0.00 C ATOM 800 CD1 PHE A 53 -6.916 2.854 4.716 1.00 0.00 C ATOM 801 CD2 PHE A 53 -7.441 3.469 6.960 1.00 0.00 C ATOM 802 CE1 PHE A 53 -5.954 3.844 4.668 1.00 0.00 C ATOM 803 CE2 PHE A 53 -6.480 4.461 6.917 1.00 0.00 C ATOM 804 CZ PHE A 53 -5.735 4.649 5.769 1.00 0.00 C ATOM 0 H PHE A 53 -7.043 -0.095 4.199 1.00 0.00 H new ATOM 0 HA PHE A 53 -7.895 -0.090 7.005 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -9.355 1.661 5.032 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -9.350 1.738 6.782 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -7.082 2.229 3.851 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -8.020 3.326 7.860 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -5.373 3.989 3.769 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -6.312 5.088 7.780 1.00 0.00 H new ATOM 0 HZ PHE A 53 -4.983 5.423 5.732 1.00 0.00 H new ATOM 814 N SER A 54 -10.281 -0.943 6.217 1.00 0.00 N ATOM 815 CA SER A 54 -11.365 -1.851 5.864 1.00 0.00 C ATOM 816 C SER A 54 -12.293 -1.221 4.827 1.00 0.00 C ATOM 817 O SER A 54 -13.073 -1.916 4.179 1.00 0.00 O ATOM 818 CB SER A 54 -12.163 -2.237 7.111 1.00 0.00 C ATOM 819 OG SER A 54 -13.081 -3.278 6.828 1.00 0.00 O ATOM 0 H SER A 54 -10.444 -0.407 7.069 1.00 0.00 H new ATOM 0 HA SER A 54 -10.924 -2.748 5.430 1.00 0.00 H new ATOM 0 HB2 SER A 54 -11.480 -2.554 7.899 1.00 0.00 H new ATOM 0 HB3 SER A 54 -12.701 -1.366 7.486 1.00 0.00 H new ATOM 0 HG SER A 54 -13.425 -3.172 5.917 1.00 0.00 H new ATOM 825 N SER A 55 -12.204 0.100 4.675 1.00 0.00 N ATOM 826 CA SER A 55 -13.039 0.818 3.715 1.00 0.00 C ATOM 827 C SER A 55 -12.195 1.396 2.579 1.00 0.00 C ATOM 828 O SER A 55 -11.186 2.059 2.818 1.00 0.00 O ATOM 829 CB SER A 55 -13.811 1.937 4.418 1.00 0.00 C ATOM 830 OG SER A 55 -15.175 1.589 4.585 1.00 0.00 O ATOM 0 H SER A 55 -11.564 0.693 5.203 1.00 0.00 H new ATOM 0 HA SER A 55 -13.749 0.110 3.287 1.00 0.00 H new ATOM 0 HB2 SER A 55 -13.362 2.137 5.391 1.00 0.00 H new ATOM 0 HB3 SER A 55 -13.735 2.856 3.837 1.00 0.00 H new ATOM 0 HG SER A 55 -15.646 2.319 5.038 1.00 0.00 H new ATOM 836 N LYS A 56 -12.620 1.135 1.345 1.00 0.00 N ATOM 837 CA LYS A 56 -11.908 1.625 0.170 1.00 0.00 C ATOM 838 C LYS A 56 -11.767 3.142 0.202 1.00 0.00 C ATOM 839 O LYS A 56 -10.757 3.691 -0.241 1.00 0.00 O ATOM 840 CB LYS A 56 -12.631 1.197 -1.107 1.00 0.00 C ATOM 841 CG LYS A 56 -11.722 1.141 -2.323 1.00 0.00 C ATOM 842 CD LYS A 56 -11.918 2.349 -3.222 1.00 0.00 C ATOM 843 CE LYS A 56 -11.142 2.209 -4.521 1.00 0.00 C ATOM 844 NZ LYS A 56 -11.830 2.887 -5.655 1.00 0.00 N ATOM 0 H LYS A 56 -13.454 0.587 1.134 1.00 0.00 H new ATOM 0 HA LYS A 56 -10.909 1.189 0.180 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -13.078 0.215 -0.951 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -13.447 1.892 -1.304 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -10.682 1.092 -1.999 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -11.923 0.230 -2.887 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -12.978 2.472 -3.442 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -11.595 3.249 -2.699 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -10.145 2.632 -4.396 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -11.013 1.152 -4.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -11.222 2.856 -6.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -12.727 2.401 -5.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -12.022 3.877 -5.402 1.00 0.00 H new ATOM 858 N ASP A 57 -12.783 3.820 0.726 1.00 0.00 N ATOM 859 CA ASP A 57 -12.770 5.278 0.812 1.00 0.00 C ATOM 860 C ASP A 57 -11.474 5.775 1.445 1.00 0.00 C ATOM 861 O ASP A 57 -10.972 6.845 1.100 1.00 0.00 O ATOM 862 CB ASP A 57 -13.970 5.775 1.622 1.00 0.00 C ATOM 863 CG ASP A 57 -14.216 7.259 1.440 1.00 0.00 C ATOM 864 OD1 ASP A 57 -14.068 7.750 0.302 1.00 0.00 O ATOM 865 OD2 ASP A 57 -14.556 7.931 2.436 1.00 0.00 O ATOM 0 H ASP A 57 -13.627 3.384 1.098 1.00 0.00 H new ATOM 0 HA ASP A 57 -12.835 5.676 -0.201 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -14.861 5.223 1.323 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -13.804 5.564 2.678 1.00 0.00 H new ATOM 870 N ASN A 58 -10.936 4.988 2.371 1.00 0.00 N ATOM 871 CA ASN A 58 -9.696 5.344 3.049 1.00 0.00 C ATOM 872 C ASN A 58 -8.510 5.235 2.097 1.00 0.00 C ATOM 873 O ASN A 58 -7.702 6.156 1.986 1.00 0.00 O ATOM 874 CB ASN A 58 -9.476 4.443 4.267 1.00 0.00 C ATOM 875 CG ASN A 58 -10.605 4.549 5.273 1.00 0.00 C ATOM 876 OD1 ASN A 58 -10.536 5.336 6.219 1.00 0.00 O ATOM 877 ND2 ASN A 58 -11.650 3.754 5.078 1.00 0.00 N ATOM 0 H ASN A 58 -11.340 4.100 2.669 1.00 0.00 H new ATOM 0 HA ASN A 58 -9.777 6.378 3.385 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -9.381 3.408 3.938 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -8.536 4.711 4.749 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -12.438 3.780 5.725 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -11.665 3.118 4.281 1.00 0.00 H new ATOM 884 N ALA A 59 -8.419 4.103 1.411 1.00 0.00 N ATOM 885 CA ALA A 59 -7.337 3.865 0.461 1.00 0.00 C ATOM 886 C ALA A 59 -7.335 4.914 -0.642 1.00 0.00 C ATOM 887 O ALA A 59 -6.283 5.414 -1.026 1.00 0.00 O ATOM 888 CB ALA A 59 -7.463 2.472 -0.133 1.00 0.00 C ATOM 0 H ALA A 59 -9.083 3.333 1.494 1.00 0.00 H new ATOM 0 HA ALA A 59 -6.390 3.939 0.996 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -6.651 2.303 -0.841 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -7.409 1.730 0.664 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -8.419 2.382 -0.649 1.00 0.00 H new ATOM 894 N ASP A 60 -8.519 5.244 -1.155 1.00 0.00 N ATOM 895 CA ASP A 60 -8.636 6.235 -2.219 1.00 0.00 C ATOM 896 C ASP A 60 -8.065 7.580 -1.782 1.00 0.00 C ATOM 897 O ASP A 60 -7.228 8.163 -2.470 1.00 0.00 O ATOM 898 CB ASP A 60 -10.101 6.401 -2.629 1.00 0.00 C ATOM 899 CG ASP A 60 -10.526 5.390 -3.677 1.00 0.00 C ATOM 900 OD1 ASP A 60 -9.639 4.824 -4.349 1.00 0.00 O ATOM 901 OD2 ASP A 60 -11.746 5.165 -3.823 1.00 0.00 O ATOM 0 H ASP A 60 -9.406 4.841 -0.852 1.00 0.00 H new ATOM 0 HA ASP A 60 -8.061 5.879 -3.074 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -10.736 6.297 -1.749 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -10.255 7.408 -3.016 1.00 0.00 H new ATOM 906 N THR A 61 -8.521 8.070 -0.631 1.00 0.00 N ATOM 907 CA THR A 61 -8.054 9.348 -0.106 1.00 0.00 C ATOM 908 C THR A 61 -6.542 9.337 0.088 1.00 0.00 C ATOM 909 O THR A 61 -5.870 10.343 -0.131 1.00 0.00 O ATOM 910 CB THR A 61 -8.749 9.667 1.219 1.00 0.00 C ATOM 911 OG1 THR A 61 -9.268 8.489 1.809 1.00 0.00 O ATOM 912 CG2 THR A 61 -9.889 10.651 1.074 1.00 0.00 C ATOM 0 H THR A 61 -9.212 7.601 -0.046 1.00 0.00 H new ATOM 0 HA THR A 61 -8.303 10.122 -0.832 1.00 0.00 H new ATOM 0 HB THR A 61 -7.981 10.117 1.848 1.00 0.00 H new ATOM 0 HG1 THR A 61 -10.198 8.363 1.525 1.00 0.00 H new ATOM 0 HG21 THR A 61 -10.338 10.834 2.050 1.00 0.00 H new ATOM 0 HG22 THR A 61 -9.511 11.589 0.668 1.00 0.00 H new ATOM 0 HG23 THR A 61 -10.640 10.240 0.400 1.00 0.00 H new ATOM 920 N LEU A 62 -6.010 8.185 0.488 1.00 0.00 N ATOM 921 CA LEU A 62 -4.577 8.029 0.704 1.00 0.00 C ATOM 922 C LEU A 62 -3.845 8.077 -0.611 1.00 0.00 C ATOM 923 O LEU A 62 -2.864 8.800 -0.780 1.00 0.00 O ATOM 924 CB LEU A 62 -4.285 6.666 1.316 1.00 0.00 C ATOM 925 CG LEU A 62 -3.065 6.615 2.232 1.00 0.00 C ATOM 926 CD1 LEU A 62 -1.897 7.342 1.592 1.00 0.00 C ATOM 927 CD2 LEU A 62 -3.395 7.215 3.591 1.00 0.00 C ATOM 0 H LEU A 62 -6.555 7.342 0.670 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.252 8.834 1.363 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -5.159 6.345 1.883 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -4.145 5.946 0.510 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.782 5.573 2.380 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.033 7.298 2.256 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.649 6.868 0.642 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.168 8.383 1.418 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.514 7.171 4.232 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.701 8.254 3.466 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -4.207 6.651 4.050 1.00 0.00 H new ATOM 939 N ALA A 63 -4.323 7.253 -1.527 1.00 0.00 N ATOM 940 CA ALA A 63 -3.715 7.138 -2.821 1.00 0.00 C ATOM 941 C ALA A 63 -3.609 8.500 -3.500 1.00 0.00 C ATOM 942 O ALA A 63 -2.514 8.968 -3.811 1.00 0.00 O ATOM 943 CB ALA A 63 -4.488 6.161 -3.691 1.00 0.00 C ATOM 0 H ALA A 63 -5.137 6.654 -1.387 1.00 0.00 H new ATOM 0 HA ALA A 63 -2.705 6.752 -2.686 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -4.011 6.088 -4.668 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -4.496 5.180 -3.217 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -5.512 6.514 -3.813 1.00 0.00 H new ATOM 949 N ALA A 64 -4.762 9.131 -3.721 1.00 0.00 N ATOM 950 CA ALA A 64 -4.810 10.445 -4.353 1.00 0.00 C ATOM 951 C ALA A 64 -3.859 11.409 -3.660 1.00 0.00 C ATOM 952 O ALA A 64 -3.186 12.212 -4.306 1.00 0.00 O ATOM 953 CB ALA A 64 -6.229 10.991 -4.334 1.00 0.00 C ATOM 0 H ALA A 64 -5.675 8.751 -3.471 1.00 0.00 H new ATOM 0 HA ALA A 64 -4.493 10.339 -5.391 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -6.248 11.972 -4.809 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -6.887 10.312 -4.876 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -6.571 11.081 -3.303 1.00 0.00 H new ATOM 959 N ARG A 65 -3.791 11.310 -2.335 1.00 0.00 N ATOM 960 CA ARG A 65 -2.904 12.154 -1.551 1.00 0.00 C ATOM 961 C ARG A 65 -1.457 11.872 -1.928 1.00 0.00 C ATOM 962 O ARG A 65 -0.636 12.784 -2.014 1.00 0.00 O ATOM 963 CB ARG A 65 -3.118 11.899 -0.060 1.00 0.00 C ATOM 964 CG ARG A 65 -2.790 13.092 0.820 1.00 0.00 C ATOM 965 CD ARG A 65 -3.173 12.831 2.267 1.00 0.00 C ATOM 966 NE ARG A 65 -3.830 13.986 2.876 1.00 0.00 N ATOM 967 CZ ARG A 65 -4.573 13.921 3.979 1.00 0.00 C ATOM 968 NH1 ARG A 65 -4.756 12.760 4.596 1.00 0.00 N ATOM 969 NH2 ARG A 65 -5.134 15.019 4.465 1.00 0.00 N ATOM 0 H ARG A 65 -4.342 10.652 -1.784 1.00 0.00 H new ATOM 0 HA ARG A 65 -3.129 13.199 -1.763 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -4.157 11.613 0.105 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -2.502 11.053 0.246 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -1.724 13.311 0.757 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -3.318 13.973 0.455 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -3.837 11.968 2.316 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -2.280 12.579 2.839 1.00 0.00 H new ATOM 0 HE ARG A 65 -3.712 14.896 2.430 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -4.327 11.912 4.225 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -5.326 12.716 5.441 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -4.996 15.913 3.994 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -5.703 14.970 5.310 1.00 0.00 H new ATOM 983 N ALA A 66 -1.161 10.597 -2.172 1.00 0.00 N ATOM 984 CA ALA A 66 0.177 10.191 -2.561 1.00 0.00 C ATOM 985 C ALA A 66 0.514 10.774 -3.920 1.00 0.00 C ATOM 986 O ALA A 66 1.615 11.275 -4.138 1.00 0.00 O ATOM 987 CB ALA A 66 0.298 8.676 -2.570 1.00 0.00 C ATOM 0 H ALA A 66 -1.833 9.832 -2.106 1.00 0.00 H new ATOM 0 HA ALA A 66 0.891 10.574 -1.831 1.00 0.00 H new ATOM 0 HB1 ALA A 66 1.309 8.393 -2.864 1.00 0.00 H new ATOM 0 HB2 ALA A 66 0.089 8.288 -1.573 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -0.417 8.258 -3.279 1.00 0.00 H new ATOM 993 N LYS A 67 -0.457 10.733 -4.828 1.00 0.00 N ATOM 994 CA LYS A 67 -0.268 11.284 -6.159 1.00 0.00 C ATOM 995 C LYS A 67 0.016 12.775 -6.059 1.00 0.00 C ATOM 996 O LYS A 67 0.966 13.283 -6.653 1.00 0.00 O ATOM 997 CB LYS A 67 -1.503 11.038 -7.026 1.00 0.00 C ATOM 998 CG LYS A 67 -1.703 9.580 -7.400 1.00 0.00 C ATOM 999 CD LYS A 67 -3.130 9.309 -7.849 1.00 0.00 C ATOM 1000 CE LYS A 67 -3.275 7.915 -8.440 1.00 0.00 C ATOM 1001 NZ LYS A 67 -2.710 7.834 -9.816 1.00 0.00 N ATOM 0 H LYS A 67 -1.377 10.325 -4.664 1.00 0.00 H new ATOM 0 HA LYS A 67 0.581 10.787 -6.628 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -2.386 11.392 -6.494 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -1.421 11.630 -7.937 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -1.012 9.310 -8.199 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -1.464 8.948 -6.545 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -3.806 9.417 -7.001 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -3.426 10.052 -8.590 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -2.770 7.194 -7.797 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -4.329 7.638 -8.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -2.918 6.900 -10.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -3.137 8.573 -10.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -1.680 7.973 -9.777 1.00 0.00 H new ATOM 1015 N ASN A 68 -0.801 13.463 -5.270 1.00 0.00 N ATOM 1016 CA ASN A 68 -0.632 14.890 -5.051 1.00 0.00 C ATOM 1017 C ASN A 68 0.636 15.139 -4.239 1.00 0.00 C ATOM 1018 O ASN A 68 1.238 16.211 -4.314 1.00 0.00 O ATOM 1019 CB ASN A 68 -1.846 15.458 -4.315 1.00 0.00 C ATOM 1020 CG ASN A 68 -2.048 16.935 -4.582 1.00 0.00 C ATOM 1021 OD1 ASN A 68 -1.971 17.759 -3.670 1.00 0.00 O ATOM 1022 ND2 ASN A 68 -2.306 17.280 -5.838 1.00 0.00 N ATOM 0 H ASN A 68 -1.589 13.051 -4.771 1.00 0.00 H new ATOM 0 HA ASN A 68 -0.543 15.390 -6.016 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -2.739 14.912 -4.619 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -1.724 15.299 -3.244 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -2.449 18.261 -6.078 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -2.361 16.564 -6.563 1.00 0.00 H new ATOM 1029 N ALA A 69 1.030 14.132 -3.464 1.00 0.00 N ATOM 1030 CA ALA A 69 2.219 14.210 -2.629 1.00 0.00 C ATOM 1031 C ALA A 69 3.490 14.025 -3.452 1.00 0.00 C ATOM 1032 O ALA A 69 4.575 14.430 -3.034 1.00 0.00 O ATOM 1033 CB ALA A 69 2.150 13.157 -1.536 1.00 0.00 C ATOM 0 H ALA A 69 0.534 13.243 -3.399 1.00 0.00 H new ATOM 0 HA ALA A 69 2.253 15.202 -2.179 1.00 0.00 H new ATOM 0 HB1 ALA A 69 3.043 13.220 -0.914 1.00 0.00 H new ATOM 0 HB2 ALA A 69 1.266 13.328 -0.921 1.00 0.00 H new ATOM 0 HB3 ALA A 69 2.092 12.167 -1.988 1.00 0.00 H new ATOM 1039 N GLY A 70 3.352 13.398 -4.615 1.00 0.00 N ATOM 1040 CA GLY A 70 4.498 13.157 -5.469 1.00 0.00 C ATOM 1041 C GLY A 70 4.841 11.685 -5.529 1.00 0.00 C ATOM 1042 O GLY A 70 5.986 11.313 -5.795 1.00 0.00 O ATOM 0 H GLY A 70 2.465 13.052 -4.981 1.00 0.00 H new ATOM 0 HA2 GLY A 70 4.289 13.525 -6.474 1.00 0.00 H new ATOM 0 HA3 GLY A 70 5.356 13.717 -5.097 1.00 0.00 H new ATOM 1046 N PHE A 71 3.845 10.846 -5.264 1.00 0.00 N ATOM 1047 CA PHE A 71 4.028 9.406 -5.267 1.00 0.00 C ATOM 1048 C PHE A 71 2.936 8.746 -6.101 1.00 0.00 C ATOM 1049 O PHE A 71 1.817 9.247 -6.172 1.00 0.00 O ATOM 1050 CB PHE A 71 3.970 8.874 -3.836 1.00 0.00 C ATOM 1051 CG PHE A 71 4.470 9.849 -2.806 1.00 0.00 C ATOM 1052 CD1 PHE A 71 5.707 10.457 -2.954 1.00 0.00 C ATOM 1053 CD2 PHE A 71 3.702 10.165 -1.694 1.00 0.00 C ATOM 1054 CE1 PHE A 71 6.170 11.358 -2.015 1.00 0.00 C ATOM 1055 CE2 PHE A 71 4.159 11.066 -0.752 1.00 0.00 C ATOM 1056 CZ PHE A 71 5.395 11.663 -0.912 1.00 0.00 C ATOM 0 H PHE A 71 2.896 11.146 -5.043 1.00 0.00 H new ATOM 0 HA PHE A 71 5.001 9.173 -5.700 1.00 0.00 H new ATOM 0 HB2 PHE A 71 2.940 8.606 -3.599 1.00 0.00 H new ATOM 0 HB3 PHE A 71 4.560 7.960 -3.774 1.00 0.00 H new ATOM 0 HD1 PHE A 71 6.316 10.223 -3.814 1.00 0.00 H new ATOM 0 HD2 PHE A 71 2.736 9.701 -1.564 1.00 0.00 H new ATOM 0 HE1 PHE A 71 7.136 11.823 -2.143 1.00 0.00 H new ATOM 0 HE2 PHE A 71 3.551 11.304 0.108 1.00 0.00 H new ATOM 0 HZ PHE A 71 5.755 12.367 -0.176 1.00 0.00 H new ATOM 1066 N ASP A 72 3.256 7.623 -6.723 1.00 0.00 N ATOM 1067 CA ASP A 72 2.283 6.914 -7.541 1.00 0.00 C ATOM 1068 C ASP A 72 1.549 5.864 -6.716 1.00 0.00 C ATOM 1069 O ASP A 72 1.773 4.667 -6.887 1.00 0.00 O ATOM 1070 CB ASP A 72 2.971 6.255 -8.738 1.00 0.00 C ATOM 1071 CG ASP A 72 1.983 5.625 -9.700 1.00 0.00 C ATOM 1072 OD1 ASP A 72 1.423 4.560 -9.364 1.00 0.00 O ATOM 1073 OD2 ASP A 72 1.769 6.196 -10.790 1.00 0.00 O ATOM 0 H ASP A 72 4.176 7.184 -6.678 1.00 0.00 H new ATOM 0 HA ASP A 72 1.555 7.638 -7.908 1.00 0.00 H new ATOM 0 HB2 ASP A 72 3.564 7.000 -9.268 1.00 0.00 H new ATOM 0 HB3 ASP A 72 3.663 5.492 -8.381 1.00 0.00 H new ATOM 1078 N ALA A 73 0.669 6.313 -5.819 1.00 0.00 N ATOM 1079 CA ALA A 73 -0.087 5.394 -4.977 1.00 0.00 C ATOM 1080 C ALA A 73 -1.346 4.894 -5.676 1.00 0.00 C ATOM 1081 O ALA A 73 -2.028 5.646 -6.371 1.00 0.00 O ATOM 1082 CB ALA A 73 -0.461 6.063 -3.662 1.00 0.00 C ATOM 0 H ALA A 73 0.466 7.300 -5.660 1.00 0.00 H new ATOM 0 HA ALA A 73 0.553 4.535 -4.778 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -1.025 5.363 -3.045 1.00 0.00 H new ATOM 0 HB2 ALA A 73 0.445 6.362 -3.135 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -1.071 6.943 -3.862 1.00 0.00 H new ATOM 1088 N ILE A 74 -1.648 3.620 -5.468 1.00 0.00 N ATOM 1089 CA ILE A 74 -2.828 3.001 -6.053 1.00 0.00 C ATOM 1090 C ILE A 74 -3.562 2.181 -4.999 1.00 0.00 C ATOM 1091 O ILE A 74 -2.950 1.692 -4.056 1.00 0.00 O ATOM 1092 CB ILE A 74 -2.462 2.089 -7.240 1.00 0.00 C ATOM 1093 CG1 ILE A 74 -1.406 1.061 -6.820 1.00 0.00 C ATOM 1094 CG2 ILE A 74 -1.964 2.923 -8.410 1.00 0.00 C ATOM 1095 CD1 ILE A 74 -1.794 -0.366 -7.137 1.00 0.00 C ATOM 0 H ILE A 74 -1.087 2.991 -4.894 1.00 0.00 H new ATOM 0 HA ILE A 74 -3.471 3.801 -6.420 1.00 0.00 H new ATOM 0 HB ILE A 74 -3.356 1.551 -7.555 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -0.466 1.293 -7.320 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -1.228 1.151 -5.748 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -1.709 2.267 -9.242 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -2.745 3.616 -8.721 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -1.080 3.485 -8.107 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -1.001 -1.039 -6.813 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -2.718 -0.616 -6.616 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -1.943 -0.472 -8.211 1.00 0.00 H new ATOM 1107 N VAL A 75 -4.868 2.026 -5.165 1.00 0.00 N ATOM 1108 CA VAL A 75 -5.664 1.257 -4.216 1.00 0.00 C ATOM 1109 C VAL A 75 -6.029 -0.103 -4.789 1.00 0.00 C ATOM 1110 O VAL A 75 -6.435 -0.213 -5.948 1.00 0.00 O ATOM 1111 CB VAL A 75 -6.948 2.008 -3.809 1.00 0.00 C ATOM 1112 CG1 VAL A 75 -7.817 1.147 -2.900 1.00 0.00 C ATOM 1113 CG2 VAL A 75 -6.596 3.324 -3.128 1.00 0.00 C ATOM 0 H VAL A 75 -5.397 2.420 -5.943 1.00 0.00 H new ATOM 0 HA VAL A 75 -5.050 1.117 -3.326 1.00 0.00 H new ATOM 0 HB VAL A 75 -7.519 2.225 -4.711 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -8.716 1.699 -2.627 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -8.097 0.233 -3.424 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -7.260 0.892 -1.998 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -7.512 3.844 -2.846 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -6.002 3.125 -2.236 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -6.022 3.947 -3.814 1.00 0.00 H new ATOM 1123 N ILE A 76 -5.884 -1.141 -3.974 1.00 0.00 N ATOM 1124 CA ILE A 76 -6.199 -2.494 -4.405 1.00 0.00 C ATOM 1125 C ILE A 76 -6.945 -3.263 -3.320 1.00 0.00 C ATOM 1126 O ILE A 76 -6.635 -3.146 -2.129 1.00 0.00 O ATOM 1127 CB ILE A 76 -4.922 -3.270 -4.792 1.00 0.00 C ATOM 1128 CG1 ILE A 76 -5.282 -4.667 -5.303 1.00 0.00 C ATOM 1129 CG2 ILE A 76 -3.978 -3.360 -3.602 1.00 0.00 C ATOM 1130 CD1 ILE A 76 -4.078 -5.495 -5.695 1.00 0.00 C ATOM 0 H ILE A 76 -5.551 -1.070 -3.013 1.00 0.00 H new ATOM 0 HA ILE A 76 -6.841 -2.405 -5.281 1.00 0.00 H new ATOM 0 HB ILE A 76 -4.415 -2.732 -5.593 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -5.840 -5.195 -4.530 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -5.943 -4.571 -6.164 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -3.082 -3.910 -3.889 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -3.701 -2.356 -3.281 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -4.475 -3.879 -2.782 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -4.408 -6.472 -6.048 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -3.531 -4.988 -6.490 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -3.427 -5.622 -4.830 1.00 0.00 H new ATOM 1142 N LEU A 77 -7.929 -4.052 -3.745 1.00 0.00 N ATOM 1143 CA LEU A 77 -8.728 -4.853 -2.832 1.00 0.00 C ATOM 1144 C LEU A 77 -8.155 -6.265 -2.730 1.00 0.00 C ATOM 1145 O LEU A 77 -8.294 -7.068 -3.653 1.00 0.00 O ATOM 1146 CB LEU A 77 -10.184 -4.894 -3.313 1.00 0.00 C ATOM 1147 CG LEU A 77 -11.034 -6.035 -2.751 1.00 0.00 C ATOM 1148 CD1 LEU A 77 -11.236 -5.867 -1.252 1.00 0.00 C ATOM 1149 CD2 LEU A 77 -12.374 -6.102 -3.468 1.00 0.00 C ATOM 0 H LEU A 77 -8.191 -4.151 -4.726 1.00 0.00 H new ATOM 0 HA LEU A 77 -8.700 -4.400 -1.841 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -10.660 -3.948 -3.054 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -10.187 -4.965 -4.401 1.00 0.00 H new ATOM 0 HG LEU A 77 -10.505 -6.973 -2.920 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -11.843 -6.689 -0.872 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -10.268 -5.870 -0.752 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -11.742 -4.922 -1.057 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -12.967 -6.919 -3.056 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -12.908 -5.162 -3.331 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -12.209 -6.274 -4.532 1.00 0.00 H new ATOM 1161 N GLU A 78 -7.509 -6.561 -1.607 1.00 0.00 N ATOM 1162 CA GLU A 78 -6.910 -7.874 -1.394 1.00 0.00 C ATOM 1163 C GLU A 78 -7.863 -8.797 -0.645 1.00 0.00 C ATOM 1164 O GLU A 78 -8.139 -8.593 0.538 1.00 0.00 O ATOM 1165 CB GLU A 78 -5.597 -7.740 -0.619 1.00 0.00 C ATOM 1166 CG GLU A 78 -4.399 -7.427 -1.502 1.00 0.00 C ATOM 1167 CD GLU A 78 -3.205 -8.310 -1.199 1.00 0.00 C ATOM 1168 OE1 GLU A 78 -3.414 -9.466 -0.769 1.00 0.00 O ATOM 1169 OE2 GLU A 78 -2.061 -7.849 -1.391 1.00 0.00 O ATOM 0 H GLU A 78 -7.387 -5.910 -0.831 1.00 0.00 H new ATOM 0 HA GLU A 78 -6.706 -8.312 -2.371 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -5.704 -6.953 0.127 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -5.407 -8.667 -0.079 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -4.681 -7.550 -2.548 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -4.117 -6.383 -1.369 1.00 0.00 H new ATOM 1176 N SER A 79 -8.362 -9.815 -1.338 1.00 0.00 N ATOM 1177 CA SER A 79 -9.283 -10.774 -0.738 1.00 0.00 C ATOM 1178 C SER A 79 -8.615 -11.526 0.408 1.00 0.00 C ATOM 1179 O SER A 79 -7.555 -11.064 0.881 1.00 0.00 O ATOM 1180 CB SER A 79 -9.779 -11.764 -1.792 1.00 0.00 C ATOM 1181 OG SER A 79 -9.868 -11.152 -3.067 1.00 0.00 O ATOM 1182 OXT SER A 79 -9.159 -12.570 0.827 1.00 0.00 O ATOM 0 H SER A 79 -8.144 -9.998 -2.317 1.00 0.00 H new ATOM 0 HA SER A 79 -10.134 -10.222 -0.339 1.00 0.00 H new ATOM 0 HB2 SER A 79 -9.102 -12.617 -1.841 1.00 0.00 H new ATOM 0 HB3 SER A 79 -10.756 -12.150 -1.502 1.00 0.00 H new ATOM 0 HG SER A 79 -10.186 -11.807 -3.723 1.00 0.00 H new TER 1188 SER A 79