USER MOD reduce.3.24.130724 H: found=0, std=0, add=803, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 803 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: I 7 MET CE :methyl -166:sc= -4.87 (180deg=-4.57!) USER MOD Set 1.2: I 8 MET CE :methyl 143:sc= -8.76! (180deg=-12.3!) USER MOD Set 2.1: C 69 SER OG : rot 87:sc= 0.432 USER MOD Set 2.2: C 71 THR OG1 : rot 180:sc= 1.13 USER MOD Set 3.1: C 13 THR OG1 : rot 180:sc= -0.853 USER MOD Set 3.2: C 16 GLN :FLIP amide:sc= -1.66 F(o=-3.4,f=-2.5) USER MOD Single : C 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : C 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 5 TYR OH : rot 180:sc= 0 USER MOD Single : C 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : C 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 18 ASN : amide:sc= 0.0561! K(o=0.056!,f=-1.1) USER MOD Single : C 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 35 CYS SG : rot -95:sc= -0.0611 USER MOD Single : C 37 SER OG : rot 21:sc= -0.614! USER MOD Single : C 38 THR OG1 : rot -78:sc= -0.195 USER MOD Single : C 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 43 LYS NZ :NH3+ 162:sc= 0 (180deg=-0.315) USER MOD Single : C 45 MET CE :methyl -132:sc= -9.38! (180deg=-11.1!) USER MOD Single : C 47 MET CE :methyl -169:sc= -0.337 (180deg=-0.622) USER MOD Single : C 50 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : C 51 ASN : amide:sc= -2.04! C(o=-2!,f=-7.2!) USER MOD Single : C 53 THR OG1 : rot 180:sc= -0.499 USER MOD Single : C 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : C 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : C 80 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : C 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : C 84 CYS SG : rot 53:sc= 0.246 USER MOD Single : C 85 MET CE :methyl 152:sc= -0.396 (180deg=-1.86!) USER MOD Single : C 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 89 SER OG : rot 180:sc= 0.125 USER MOD Single : I 1 ARG N :NH3+ -173:sc= -0.0925 (180deg=-0.147) USER MOD Single : I 3 SER OG : rot 180:sc= 0 USER MOD Single : I 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : I 17 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.134) USER MOD ----------------------------------------------------------------- ATOM 1 N MET C 1 54.634 -17.593 16.647 1.00 0.00 N ATOM 2 CA MET C 1 55.416 -17.170 17.844 1.00 0.00 C ATOM 3 C MET C 1 56.287 -15.957 17.506 1.00 0.00 C ATOM 4 O MET C 1 57.353 -16.086 16.939 1.00 0.00 O ATOM 5 CB MET C 1 56.287 -18.377 18.192 1.00 0.00 C ATOM 6 CG MET C 1 55.634 -19.169 19.325 1.00 0.00 C ATOM 7 SD MET C 1 56.794 -19.316 20.706 1.00 0.00 S ATOM 8 CE MET C 1 55.568 -19.642 21.995 1.00 0.00 C ATOM 0 H1 MET C 1 54.047 -18.417 16.889 1.00 0.00 H new ATOM 0 H2 MET C 1 54.022 -16.811 16.338 1.00 0.00 H new ATOM 0 H3 MET C 1 55.287 -17.847 15.878 1.00 0.00 H new ATOM 0 HA MET C 1 54.775 -16.877 18.675 1.00 0.00 H new ATOM 0 HB2 MET C 1 56.413 -19.013 17.315 1.00 0.00 H new ATOM 0 HB3 MET C 1 57.282 -18.047 18.491 1.00 0.00 H new ATOM 0 HG2 MET C 1 54.722 -18.670 19.654 1.00 0.00 H new ATOM 0 HG3 MET C 1 55.346 -20.159 18.972 1.00 0.00 H new ATOM 0 HE1 MET C 1 56.072 -19.769 22.953 1.00 0.00 H new ATOM 0 HE2 MET C 1 54.874 -18.803 22.058 1.00 0.00 H new ATOM 0 HE3 MET C 1 55.017 -20.551 21.752 1.00 0.00 H new ATOM 20 N ASP C 2 55.841 -14.779 17.850 1.00 0.00 N ATOM 21 CA ASP C 2 56.645 -13.561 17.546 1.00 0.00 C ATOM 22 C ASP C 2 56.823 -13.413 16.033 1.00 0.00 C ATOM 23 O ASP C 2 56.220 -14.126 15.255 1.00 0.00 O ATOM 24 CB ASP C 2 57.996 -13.797 18.225 1.00 0.00 C ATOM 25 CG ASP C 2 58.656 -12.451 18.532 1.00 0.00 C ATOM 26 OD1 ASP C 2 59.238 -11.879 17.627 1.00 0.00 O ATOM 27 OD2 ASP C 2 58.568 -12.017 19.670 1.00 0.00 O ATOM 0 H ASP C 2 54.956 -14.608 18.328 1.00 0.00 H new ATOM 0 HA ASP C 2 56.166 -12.649 17.901 1.00 0.00 H new ATOM 0 HB2 ASP C 2 57.858 -14.365 19.145 1.00 0.00 H new ATOM 0 HB3 ASP C 2 58.641 -14.391 17.578 1.00 0.00 H new ATOM 32 N ASP C 3 57.648 -12.496 15.609 1.00 0.00 N ATOM 33 CA ASP C 3 57.866 -12.306 14.148 1.00 0.00 C ATOM 34 C ASP C 3 56.527 -12.122 13.430 1.00 0.00 C ATOM 35 O ASP C 3 56.148 -12.912 12.588 1.00 0.00 O ATOM 36 CB ASP C 3 58.547 -13.594 13.688 1.00 0.00 C ATOM 37 CG ASP C 3 60.029 -13.322 13.421 1.00 0.00 C ATOM 38 OD1 ASP C 3 60.739 -13.037 14.372 1.00 0.00 O ATOM 39 OD2 ASP C 3 60.429 -13.406 12.272 1.00 0.00 O ATOM 0 H ASP C 3 58.181 -11.869 16.212 1.00 0.00 H new ATOM 0 HA ASP C 3 58.464 -11.422 13.929 1.00 0.00 H new ATOM 0 HB2 ASP C 3 58.440 -14.366 14.450 1.00 0.00 H new ATOM 0 HB3 ASP C 3 58.067 -13.969 12.784 1.00 0.00 H new ATOM 44 N ILE C 4 55.805 -11.083 13.755 1.00 0.00 N ATOM 45 CA ILE C 4 54.491 -10.851 13.088 1.00 0.00 C ATOM 46 C ILE C 4 54.705 -10.234 11.702 1.00 0.00 C ATOM 47 O ILE C 4 53.892 -10.383 10.813 1.00 0.00 O ATOM 48 CB ILE C 4 53.749 -9.874 14.003 1.00 0.00 C ATOM 49 CG1 ILE C 4 54.398 -8.491 13.912 1.00 0.00 C ATOM 50 CG2 ILE C 4 53.821 -10.373 15.448 1.00 0.00 C ATOM 51 CD1 ILE C 4 53.488 -7.454 14.574 1.00 0.00 C ATOM 0 H ILE C 4 56.068 -10.386 14.452 1.00 0.00 H new ATOM 0 HA ILE C 4 53.932 -11.775 12.942 1.00 0.00 H new ATOM 0 HB ILE C 4 52.707 -9.808 13.690 1.00 0.00 H new ATOM 0 HG12 ILE C 4 55.371 -8.502 14.402 1.00 0.00 H new ATOM 0 HG13 ILE C 4 54.570 -8.226 12.869 1.00 0.00 H new ATOM 0 HG21 ILE C 4 53.293 -9.677 16.100 1.00 0.00 H new ATOM 0 HG22 ILE C 4 53.358 -11.357 15.516 1.00 0.00 H new ATOM 0 HG23 ILE C 4 54.864 -10.440 15.758 1.00 0.00 H new ATOM 0 HD11 ILE C 4 53.951 -6.469 14.509 1.00 0.00 H new ATOM 0 HD12 ILE C 4 52.525 -7.437 14.064 1.00 0.00 H new ATOM 0 HD13 ILE C 4 53.339 -7.716 15.621 1.00 0.00 H new ATOM 63 N TYR C 5 55.795 -9.542 11.515 1.00 0.00 N ATOM 64 CA TYR C 5 56.064 -8.913 10.190 1.00 0.00 C ATOM 65 C TYR C 5 56.440 -9.981 9.159 1.00 0.00 C ATOM 66 O TYR C 5 55.824 -10.094 8.118 1.00 0.00 O ATOM 67 CB TYR C 5 57.239 -7.964 10.434 1.00 0.00 C ATOM 68 CG TYR C 5 56.849 -6.933 11.466 1.00 0.00 C ATOM 69 CD1 TYR C 5 56.011 -5.868 11.111 1.00 0.00 C ATOM 70 CD2 TYR C 5 57.324 -7.040 12.778 1.00 0.00 C ATOM 71 CE1 TYR C 5 55.649 -4.912 12.067 1.00 0.00 C ATOM 72 CE2 TYR C 5 56.962 -6.084 13.735 1.00 0.00 C ATOM 73 CZ TYR C 5 56.124 -5.021 13.380 1.00 0.00 C ATOM 74 OH TYR C 5 55.768 -4.078 14.322 1.00 0.00 O ATOM 0 H TYR C 5 56.512 -9.384 12.223 1.00 0.00 H new ATOM 0 HA TYR C 5 55.192 -8.391 9.798 1.00 0.00 H new ATOM 0 HB2 TYR C 5 58.108 -8.525 10.776 1.00 0.00 H new ATOM 0 HB3 TYR C 5 57.523 -7.473 9.503 1.00 0.00 H new ATOM 0 HD1 TYR C 5 55.644 -5.785 10.099 1.00 0.00 H new ATOM 0 HD2 TYR C 5 57.970 -7.861 13.053 1.00 0.00 H new ATOM 0 HE1 TYR C 5 55.004 -4.091 11.792 1.00 0.00 H new ATOM 0 HE2 TYR C 5 57.330 -6.167 14.747 1.00 0.00 H new ATOM 0 HH TYR C 5 56.182 -4.302 15.182 1.00 0.00 H new ATOM 84 N LYS C 6 57.448 -10.762 9.438 1.00 0.00 N ATOM 85 CA LYS C 6 57.862 -11.819 8.469 1.00 0.00 C ATOM 86 C LYS C 6 56.664 -12.695 8.092 1.00 0.00 C ATOM 87 O LYS C 6 56.617 -13.272 7.024 1.00 0.00 O ATOM 88 CB LYS C 6 58.919 -12.640 9.207 1.00 0.00 C ATOM 89 CG LYS C 6 60.295 -12.376 8.590 1.00 0.00 C ATOM 90 CD LYS C 6 60.473 -13.249 7.347 1.00 0.00 C ATOM 91 CE LYS C 6 61.153 -12.434 6.244 1.00 0.00 C ATOM 92 NZ LYS C 6 60.146 -12.356 5.150 1.00 0.00 N ATOM 0 H LYS C 6 58.002 -10.715 10.293 1.00 0.00 H new ATOM 0 HA LYS C 6 58.248 -11.399 7.540 1.00 0.00 H new ATOM 0 HB2 LYS C 6 58.926 -12.376 10.265 1.00 0.00 H new ATOM 0 HB3 LYS C 6 58.679 -13.701 9.145 1.00 0.00 H new ATOM 0 HG2 LYS C 6 60.390 -11.323 8.325 1.00 0.00 H new ATOM 0 HG3 LYS C 6 61.079 -12.594 9.316 1.00 0.00 H new ATOM 0 HD2 LYS C 6 61.073 -14.126 7.589 1.00 0.00 H new ATOM 0 HD3 LYS C 6 59.504 -13.611 7.002 1.00 0.00 H new ATOM 0 HE2 LYS C 6 61.428 -11.441 6.599 1.00 0.00 H new ATOM 0 HE3 LYS C 6 62.069 -12.916 5.904 1.00 0.00 H new ATOM 0 HZ1 LYS C 6 60.538 -11.811 4.355 1.00 0.00 H new ATOM 0 HZ2 LYS C 6 59.908 -13.316 4.828 1.00 0.00 H new ATOM 0 HZ3 LYS C 6 59.287 -11.886 5.501 1.00 0.00 H new ATOM 106 N ALA C 7 55.693 -12.800 8.960 1.00 0.00 N ATOM 107 CA ALA C 7 54.501 -13.640 8.646 1.00 0.00 C ATOM 108 C ALA C 7 53.578 -12.902 7.671 1.00 0.00 C ATOM 109 O ALA C 7 53.149 -13.447 6.675 1.00 0.00 O ATOM 110 CB ALA C 7 53.801 -13.853 9.987 1.00 0.00 C ATOM 0 H ALA C 7 55.674 -12.341 9.871 1.00 0.00 H new ATOM 0 HA ALA C 7 54.774 -14.584 8.175 1.00 0.00 H new ATOM 0 HB1 ALA C 7 52.911 -14.464 9.840 1.00 0.00 H new ATOM 0 HB2 ALA C 7 54.479 -14.359 10.675 1.00 0.00 H new ATOM 0 HB3 ALA C 7 53.513 -12.888 10.405 1.00 0.00 H new ATOM 116 N ALA C 8 53.271 -11.665 7.954 1.00 0.00 N ATOM 117 CA ALA C 8 52.376 -10.892 7.046 1.00 0.00 C ATOM 118 C ALA C 8 52.904 -10.940 5.609 1.00 0.00 C ATOM 119 O ALA C 8 52.175 -10.715 4.663 1.00 0.00 O ATOM 120 CB ALA C 8 52.411 -9.461 7.583 1.00 0.00 C ATOM 0 H ALA C 8 53.601 -11.157 8.774 1.00 0.00 H new ATOM 0 HA ALA C 8 51.364 -11.296 7.023 1.00 0.00 H new ATOM 0 HB1 ALA C 8 51.775 -8.826 6.967 1.00 0.00 H new ATOM 0 HB2 ALA C 8 52.049 -9.449 8.611 1.00 0.00 H new ATOM 0 HB3 ALA C 8 53.434 -9.087 7.554 1.00 0.00 H new ATOM 126 N VAL C 9 54.164 -11.231 5.436 1.00 0.00 N ATOM 127 CA VAL C 9 54.732 -11.292 4.058 1.00 0.00 C ATOM 128 C VAL C 9 54.470 -12.668 3.438 1.00 0.00 C ATOM 129 O VAL C 9 53.845 -12.784 2.403 1.00 0.00 O ATOM 130 CB VAL C 9 56.232 -11.062 4.236 1.00 0.00 C ATOM 131 CG1 VAL C 9 56.889 -10.903 2.863 1.00 0.00 C ATOM 132 CG2 VAL C 9 56.459 -9.790 5.058 1.00 0.00 C ATOM 0 H VAL C 9 54.825 -11.429 6.188 1.00 0.00 H new ATOM 0 HA VAL C 9 54.283 -10.553 3.394 1.00 0.00 H new ATOM 0 HB VAL C 9 56.671 -11.914 4.754 1.00 0.00 H new ATOM 0 HG11 VAL C 9 57.959 -10.739 2.989 1.00 0.00 H new ATOM 0 HG12 VAL C 9 56.727 -11.807 2.275 1.00 0.00 H new ATOM 0 HG13 VAL C 9 56.449 -10.050 2.346 1.00 0.00 H new ATOM 0 HG21 VAL C 9 57.529 -9.625 5.185 1.00 0.00 H new ATOM 0 HG22 VAL C 9 56.020 -8.938 4.539 1.00 0.00 H new ATOM 0 HG23 VAL C 9 55.990 -9.900 6.036 1.00 0.00 H new ATOM 142 N GLU C 10 54.945 -13.711 4.062 1.00 0.00 N ATOM 143 CA GLU C 10 54.724 -15.077 3.505 1.00 0.00 C ATOM 144 C GLU C 10 53.235 -15.305 3.230 1.00 0.00 C ATOM 145 O GLU C 10 52.862 -16.145 2.436 1.00 0.00 O ATOM 146 CB GLU C 10 55.224 -16.032 4.589 1.00 0.00 C ATOM 147 CG GLU C 10 56.711 -16.322 4.368 1.00 0.00 C ATOM 148 CD GLU C 10 57.213 -17.275 5.453 1.00 0.00 C ATOM 149 OE1 GLU C 10 56.472 -17.515 6.392 1.00 0.00 O ATOM 150 OE2 GLU C 10 58.331 -17.750 5.326 1.00 0.00 O ATOM 0 H GLU C 10 55.476 -13.677 4.932 1.00 0.00 H new ATOM 0 HA GLU C 10 55.245 -15.226 2.559 1.00 0.00 H new ATOM 0 HB2 GLU C 10 55.071 -15.592 5.575 1.00 0.00 H new ATOM 0 HB3 GLU C 10 54.654 -16.960 4.562 1.00 0.00 H new ATOM 0 HG2 GLU C 10 56.864 -16.763 3.383 1.00 0.00 H new ATOM 0 HG3 GLU C 10 57.281 -15.393 4.393 1.00 0.00 H new ATOM 157 N GLN C 11 52.381 -14.564 3.881 1.00 0.00 N ATOM 158 CA GLN C 11 50.917 -14.743 3.655 1.00 0.00 C ATOM 159 C GLN C 11 50.404 -13.696 2.665 1.00 0.00 C ATOM 160 O GLN C 11 49.315 -13.177 2.805 1.00 0.00 O ATOM 161 CB GLN C 11 50.276 -14.535 5.026 1.00 0.00 C ATOM 162 CG GLN C 11 50.918 -15.486 6.038 1.00 0.00 C ATOM 163 CD GLN C 11 49.825 -16.270 6.765 1.00 0.00 C ATOM 164 OE1 GLN C 11 49.689 -17.462 6.579 1.00 0.00 O ATOM 165 NE2 GLN C 11 49.033 -15.645 7.593 1.00 0.00 N ATOM 0 H GLN C 11 52.632 -13.844 4.558 1.00 0.00 H new ATOM 0 HA GLN C 11 50.682 -15.722 3.237 1.00 0.00 H new ATOM 0 HB2 GLN C 11 50.407 -13.502 5.348 1.00 0.00 H new ATOM 0 HB3 GLN C 11 49.203 -14.718 4.969 1.00 0.00 H new ATOM 0 HG2 GLN C 11 51.595 -16.172 5.529 1.00 0.00 H new ATOM 0 HG3 GLN C 11 51.514 -14.922 6.755 1.00 0.00 H new ATOM 0 HE21 GLN C 11 49.147 -14.644 7.750 1.00 0.00 H new ATOM 0 HE22 GLN C 11 48.300 -16.158 8.083 1.00 0.00 H new ATOM 174 N LEU C 12 51.180 -13.380 1.666 1.00 0.00 N ATOM 175 CA LEU C 12 50.733 -12.365 0.672 1.00 0.00 C ATOM 176 C LEU C 12 50.059 -13.051 -0.519 1.00 0.00 C ATOM 177 O LEU C 12 49.928 -14.259 -0.559 1.00 0.00 O ATOM 178 CB LEU C 12 52.014 -11.657 0.227 1.00 0.00 C ATOM 179 CG LEU C 12 52.374 -10.568 1.237 1.00 0.00 C ATOM 180 CD1 LEU C 12 53.727 -9.959 0.870 1.00 0.00 C ATOM 181 CD2 LEU C 12 51.302 -9.476 1.212 1.00 0.00 C ATOM 0 H LEU C 12 52.103 -13.780 1.495 1.00 0.00 H new ATOM 0 HA LEU C 12 50.006 -11.669 1.091 1.00 0.00 H new ATOM 0 HB2 LEU C 12 52.829 -12.376 0.146 1.00 0.00 H new ATOM 0 HB3 LEU C 12 51.875 -11.219 -0.761 1.00 0.00 H new ATOM 0 HG LEU C 12 52.429 -11.003 2.235 1.00 0.00 H new ATOM 0 HD11 LEU C 12 53.984 -9.182 1.590 1.00 0.00 H new ATOM 0 HD12 LEU C 12 54.492 -10.736 0.886 1.00 0.00 H new ATOM 0 HD13 LEU C 12 53.672 -9.524 -0.128 1.00 0.00 H new ATOM 0 HD21 LEU C 12 51.558 -8.699 1.932 1.00 0.00 H new ATOM 0 HD22 LEU C 12 51.248 -9.042 0.214 1.00 0.00 H new ATOM 0 HD23 LEU C 12 50.336 -9.908 1.473 1.00 0.00 H new ATOM 193 N THR C 13 49.632 -12.291 -1.490 1.00 0.00 N ATOM 194 CA THR C 13 48.968 -12.901 -2.678 1.00 0.00 C ATOM 195 C THR C 13 49.814 -12.671 -3.934 1.00 0.00 C ATOM 196 O THR C 13 50.885 -12.099 -3.876 1.00 0.00 O ATOM 197 CB THR C 13 47.625 -12.179 -2.796 1.00 0.00 C ATOM 198 OG1 THR C 13 47.735 -10.881 -2.228 1.00 0.00 O ATOM 199 CG2 THR C 13 46.548 -12.973 -2.056 1.00 0.00 C ATOM 0 H THR C 13 49.714 -11.275 -1.513 1.00 0.00 H new ATOM 0 HA THR C 13 48.843 -13.979 -2.573 1.00 0.00 H new ATOM 0 HB THR C 13 47.350 -12.094 -3.847 1.00 0.00 H new ATOM 0 HG1 THR C 13 46.875 -10.417 -2.304 1.00 0.00 H new ATOM 0 HG21 THR C 13 45.592 -12.457 -2.141 1.00 0.00 H new ATOM 0 HG22 THR C 13 46.464 -13.968 -2.494 1.00 0.00 H new ATOM 0 HG23 THR C 13 46.820 -13.062 -1.004 1.00 0.00 H new ATOM 207 N GLU C 14 49.343 -13.112 -5.068 1.00 0.00 N ATOM 208 CA GLU C 14 50.121 -12.919 -6.326 1.00 0.00 C ATOM 209 C GLU C 14 50.094 -11.446 -6.746 1.00 0.00 C ATOM 210 O GLU C 14 51.121 -10.814 -6.894 1.00 0.00 O ATOM 211 CB GLU C 14 49.412 -13.784 -7.369 1.00 0.00 C ATOM 212 CG GLU C 14 50.230 -15.051 -7.628 1.00 0.00 C ATOM 213 CD GLU C 14 49.429 -16.000 -8.521 1.00 0.00 C ATOM 214 OE1 GLU C 14 48.958 -15.554 -9.554 1.00 0.00 O ATOM 215 OE2 GLU C 14 49.301 -17.158 -8.157 1.00 0.00 O ATOM 0 H GLU C 14 48.453 -13.598 -5.179 1.00 0.00 H new ATOM 0 HA GLU C 14 51.168 -13.197 -6.208 1.00 0.00 H new ATOM 0 HB2 GLU C 14 48.414 -14.049 -7.019 1.00 0.00 H new ATOM 0 HB3 GLU C 14 49.287 -13.224 -8.296 1.00 0.00 H new ATOM 0 HG2 GLU C 14 51.175 -14.795 -8.106 1.00 0.00 H new ATOM 0 HG3 GLU C 14 50.472 -15.540 -6.684 1.00 0.00 H new ATOM 222 N GLU C 15 48.926 -10.898 -6.942 1.00 0.00 N ATOM 223 CA GLU C 15 48.831 -9.469 -7.355 1.00 0.00 C ATOM 224 C GLU C 15 49.462 -8.563 -6.294 1.00 0.00 C ATOM 225 O GLU C 15 50.345 -7.779 -6.579 1.00 0.00 O ATOM 226 CB GLU C 15 47.332 -9.190 -7.476 1.00 0.00 C ATOM 227 CG GLU C 15 47.108 -7.710 -7.793 1.00 0.00 C ATOM 228 CD GLU C 15 47.037 -7.516 -9.308 1.00 0.00 C ATOM 229 OE1 GLU C 15 48.086 -7.457 -9.929 1.00 0.00 O ATOM 230 OE2 GLU C 15 45.934 -7.431 -9.824 1.00 0.00 O ATOM 0 H GLU C 15 48.033 -11.378 -6.834 1.00 0.00 H new ATOM 0 HA GLU C 15 49.359 -9.276 -8.289 1.00 0.00 H new ATOM 0 HB2 GLU C 15 46.899 -9.810 -8.261 1.00 0.00 H new ATOM 0 HB3 GLU C 15 46.827 -9.454 -6.547 1.00 0.00 H new ATOM 0 HG2 GLU C 15 46.185 -7.364 -7.328 1.00 0.00 H new ATOM 0 HG3 GLU C 15 47.919 -7.112 -7.377 1.00 0.00 H new ATOM 237 N GLN C 16 49.014 -8.663 -5.071 1.00 0.00 N ATOM 238 CA GLN C 16 49.590 -7.804 -3.997 1.00 0.00 C ATOM 239 C GLN C 16 51.118 -7.800 -4.084 1.00 0.00 C ATOM 240 O GLN C 16 51.738 -6.760 -4.188 1.00 0.00 O ATOM 241 CB GLN C 16 49.130 -8.440 -2.684 1.00 0.00 C ATOM 242 CG GLN C 16 49.820 -7.738 -1.512 1.00 0.00 C ATOM 243 CD GLN C 16 49.016 -7.971 -0.232 1.00 0.00 C ATOM 244 OE1 GLN C 16 49.114 -7.117 0.750 1.00 0.00 O flip ATOM 245 NE2 GLN C 16 48.289 -8.938 -0.126 1.00 0.00 N flip ATOM 0 H GLN C 16 48.277 -9.300 -4.770 1.00 0.00 H new ATOM 0 HA GLN C 16 49.264 -6.767 -4.082 1.00 0.00 H new ATOM 0 HB2 GLN C 16 48.048 -8.357 -2.586 1.00 0.00 H new ATOM 0 HB3 GLN C 16 49.370 -9.503 -2.678 1.00 0.00 H new ATOM 0 HG2 GLN C 16 50.834 -8.120 -1.392 1.00 0.00 H new ATOM 0 HG3 GLN C 16 49.903 -6.670 -1.712 1.00 0.00 H new ATOM 0 HE21 GLN C 16 48.213 -9.605 -0.894 1.00 0.00 H new ATOM 0 HE22 GLN C 16 47.755 -9.083 0.731 1.00 0.00 H new ATOM 254 N LYS C 17 51.729 -8.952 -4.045 1.00 0.00 N ATOM 255 CA LYS C 17 53.216 -9.008 -4.128 1.00 0.00 C ATOM 256 C LYS C 17 53.717 -8.043 -5.205 1.00 0.00 C ATOM 257 O LYS C 17 54.600 -7.243 -4.972 1.00 0.00 O ATOM 258 CB LYS C 17 53.539 -10.453 -4.510 1.00 0.00 C ATOM 259 CG LYS C 17 54.227 -11.150 -3.334 1.00 0.00 C ATOM 260 CD LYS C 17 53.471 -12.434 -2.987 1.00 0.00 C ATOM 261 CE LYS C 17 54.337 -13.308 -2.076 1.00 0.00 C ATOM 262 NZ LYS C 17 53.486 -14.485 -1.751 1.00 0.00 N ATOM 0 H LYS C 17 51.264 -9.856 -3.959 1.00 0.00 H new ATOM 0 HA LYS C 17 53.695 -8.719 -3.192 1.00 0.00 H new ATOM 0 HB2 LYS C 17 52.625 -10.983 -4.776 1.00 0.00 H new ATOM 0 HB3 LYS C 17 54.186 -10.473 -5.387 1.00 0.00 H new ATOM 0 HG2 LYS C 17 55.261 -11.382 -3.590 1.00 0.00 H new ATOM 0 HG3 LYS C 17 54.254 -10.486 -2.470 1.00 0.00 H new ATOM 0 HD2 LYS C 17 52.531 -12.192 -2.490 1.00 0.00 H new ATOM 0 HD3 LYS C 17 53.219 -12.978 -3.898 1.00 0.00 H new ATOM 0 HE2 LYS C 17 55.256 -13.612 -2.577 1.00 0.00 H new ATOM 0 HE3 LYS C 17 54.629 -12.770 -1.174 1.00 0.00 H new ATOM 0 HZ1 LYS C 17 54.011 -15.132 -1.129 1.00 0.00 H new ATOM 0 HZ2 LYS C 17 52.622 -14.166 -1.269 1.00 0.00 H new ATOM 0 HZ3 LYS C 17 53.230 -14.981 -2.628 1.00 0.00 H new ATOM 276 N ASN C 18 53.155 -8.111 -6.380 1.00 0.00 N ATOM 277 CA ASN C 18 53.596 -7.195 -7.470 1.00 0.00 C ATOM 278 C ASN C 18 53.324 -5.742 -7.073 1.00 0.00 C ATOM 279 O ASN C 18 53.968 -4.827 -7.546 1.00 0.00 O ATOM 280 CB ASN C 18 52.754 -7.588 -8.684 1.00 0.00 C ATOM 281 CG ASN C 18 53.164 -8.983 -9.158 1.00 0.00 C ATOM 282 OD1 ASN C 18 54.152 -9.137 -9.849 1.00 0.00 O ATOM 283 ND2 ASN C 18 52.440 -10.015 -8.816 1.00 0.00 N ATOM 0 H ASN C 18 52.410 -8.760 -6.633 1.00 0.00 H new ATOM 0 HA ASN C 18 54.664 -7.276 -7.675 1.00 0.00 H new ATOM 0 HB2 ASN C 18 51.695 -7.577 -8.425 1.00 0.00 H new ATOM 0 HB3 ASN C 18 52.893 -6.864 -9.487 1.00 0.00 H new ATOM 0 HD21 ASN C 18 52.704 -10.949 -9.129 1.00 0.00 H new ATOM 0 HD22 ASN C 18 51.611 -9.887 -8.236 1.00 0.00 H new ATOM 290 N GLU C 19 52.376 -5.522 -6.202 1.00 0.00 N ATOM 291 CA GLU C 19 52.069 -4.129 -5.772 1.00 0.00 C ATOM 292 C GLU C 19 53.306 -3.502 -5.126 1.00 0.00 C ATOM 293 O GLU C 19 53.806 -2.489 -5.573 1.00 0.00 O ATOM 294 CB GLU C 19 50.938 -4.265 -4.751 1.00 0.00 C ATOM 295 CG GLU C 19 50.126 -2.969 -4.710 1.00 0.00 C ATOM 296 CD GLU C 19 48.670 -3.288 -4.365 1.00 0.00 C ATOM 297 OE1 GLU C 19 48.456 -4.063 -3.447 1.00 0.00 O ATOM 298 OE2 GLU C 19 47.795 -2.753 -5.025 1.00 0.00 O ATOM 0 H GLU C 19 51.802 -6.246 -5.771 1.00 0.00 H new ATOM 0 HA GLU C 19 51.782 -3.489 -6.607 1.00 0.00 H new ATOM 0 HB2 GLU C 19 50.293 -5.102 -5.017 1.00 0.00 H new ATOM 0 HB3 GLU C 19 51.349 -4.480 -3.765 1.00 0.00 H new ATOM 0 HG2 GLU C 19 50.545 -2.288 -3.969 1.00 0.00 H new ATOM 0 HG3 GLU C 19 50.180 -2.463 -5.674 1.00 0.00 H new ATOM 305 N PHE C 20 53.808 -4.100 -4.080 1.00 0.00 N ATOM 306 CA PHE C 20 55.016 -3.541 -3.412 1.00 0.00 C ATOM 307 C PHE C 20 56.166 -3.440 -4.419 1.00 0.00 C ATOM 308 O PHE C 20 57.022 -2.584 -4.317 1.00 0.00 O ATOM 309 CB PHE C 20 55.355 -4.540 -2.306 1.00 0.00 C ATOM 310 CG PHE C 20 54.313 -4.457 -1.215 1.00 0.00 C ATOM 311 CD1 PHE C 20 54.057 -3.236 -0.583 1.00 0.00 C ATOM 312 CD2 PHE C 20 53.602 -5.604 -0.838 1.00 0.00 C ATOM 313 CE1 PHE C 20 53.090 -3.160 0.428 1.00 0.00 C ATOM 314 CE2 PHE C 20 52.635 -5.528 0.172 1.00 0.00 C ATOM 315 CZ PHE C 20 52.380 -4.305 0.805 1.00 0.00 C ATOM 0 H PHE C 20 53.434 -4.951 -3.660 1.00 0.00 H new ATOM 0 HA PHE C 20 54.848 -2.540 -3.015 1.00 0.00 H new ATOM 0 HB2 PHE C 20 55.391 -5.551 -2.713 1.00 0.00 H new ATOM 0 HB3 PHE C 20 56.342 -4.325 -1.898 1.00 0.00 H new ATOM 0 HD1 PHE C 20 54.605 -2.352 -0.874 1.00 0.00 H new ATOM 0 HD2 PHE C 20 53.800 -6.547 -1.326 1.00 0.00 H new ATOM 0 HE1 PHE C 20 52.893 -2.217 0.916 1.00 0.00 H new ATOM 0 HE2 PHE C 20 52.086 -6.412 0.463 1.00 0.00 H new ATOM 0 HZ PHE C 20 51.635 -4.246 1.585 1.00 0.00 H new ATOM 325 N LYS C 21 56.188 -4.309 -5.394 1.00 0.00 N ATOM 326 CA LYS C 21 57.278 -4.264 -6.409 1.00 0.00 C ATOM 327 C LYS C 21 57.355 -2.866 -7.030 1.00 0.00 C ATOM 328 O LYS C 21 58.420 -2.303 -7.183 1.00 0.00 O ATOM 329 CB LYS C 21 56.882 -5.300 -7.461 1.00 0.00 C ATOM 330 CG LYS C 21 57.855 -6.480 -7.407 1.00 0.00 C ATOM 331 CD LYS C 21 58.938 -6.298 -8.471 1.00 0.00 C ATOM 332 CE LYS C 21 59.765 -7.580 -8.582 1.00 0.00 C ATOM 333 NZ LYS C 21 60.346 -7.549 -9.954 1.00 0.00 N ATOM 0 H LYS C 21 55.498 -5.048 -5.531 1.00 0.00 H new ATOM 0 HA LYS C 21 58.257 -4.477 -5.980 1.00 0.00 H new ATOM 0 HB2 LYS C 21 55.864 -5.646 -7.281 1.00 0.00 H new ATOM 0 HB3 LYS C 21 56.895 -4.849 -8.453 1.00 0.00 H new ATOM 0 HG2 LYS C 21 58.309 -6.545 -6.418 1.00 0.00 H new ATOM 0 HG3 LYS C 21 57.319 -7.414 -7.574 1.00 0.00 H new ATOM 0 HD2 LYS C 21 58.482 -6.062 -9.433 1.00 0.00 H new ATOM 0 HD3 LYS C 21 59.582 -5.459 -8.209 1.00 0.00 H new ATOM 0 HE2 LYS C 21 60.547 -7.612 -7.823 1.00 0.00 H new ATOM 0 HE3 LYS C 21 59.144 -8.464 -8.437 1.00 0.00 H new ATOM 0 HZ1 LYS C 21 60.927 -8.398 -10.104 1.00 0.00 H new ATOM 0 HZ2 LYS C 21 59.579 -7.526 -10.656 1.00 0.00 H new ATOM 0 HZ3 LYS C 21 60.938 -6.701 -10.061 1.00 0.00 H new ATOM 347 N ALA C 22 56.232 -2.303 -7.386 1.00 0.00 N ATOM 348 CA ALA C 22 56.242 -0.942 -7.993 1.00 0.00 C ATOM 349 C ALA C 22 57.092 0.003 -7.140 1.00 0.00 C ATOM 350 O ALA C 22 58.008 0.637 -7.625 1.00 0.00 O ATOM 351 CB ALA C 22 54.780 -0.497 -7.993 1.00 0.00 C ATOM 0 H ALA C 22 55.310 -2.726 -7.283 1.00 0.00 H new ATOM 0 HA ALA C 22 56.667 -0.937 -8.997 1.00 0.00 H new ATOM 0 HB1 ALA C 22 54.703 0.500 -8.426 1.00 0.00 H new ATOM 0 HB2 ALA C 22 54.187 -1.196 -8.583 1.00 0.00 H new ATOM 0 HB3 ALA C 22 54.406 -0.478 -6.970 1.00 0.00 H new ATOM 357 N ALA C 23 56.798 0.095 -5.873 1.00 0.00 N ATOM 358 CA ALA C 23 57.592 0.995 -4.988 1.00 0.00 C ATOM 359 C ALA C 23 59.046 0.520 -4.927 1.00 0.00 C ATOM 360 O ALA C 23 59.970 1.307 -4.988 1.00 0.00 O ATOM 361 CB ALA C 23 56.931 0.884 -3.613 1.00 0.00 C ATOM 0 H ALA C 23 56.043 -0.413 -5.412 1.00 0.00 H new ATOM 0 HA ALA C 23 57.607 2.024 -5.348 1.00 0.00 H new ATOM 0 HB1 ALA C 23 57.460 1.520 -2.903 1.00 0.00 H new ATOM 0 HB2 ALA C 23 55.891 1.204 -3.682 1.00 0.00 H new ATOM 0 HB3 ALA C 23 56.970 -0.151 -3.273 1.00 0.00 H new ATOM 367 N PHE C 24 59.255 -0.763 -4.808 1.00 0.00 N ATOM 368 CA PHE C 24 60.649 -1.289 -4.747 1.00 0.00 C ATOM 369 C PHE C 24 61.386 -0.983 -6.053 1.00 0.00 C ATOM 370 O PHE C 24 62.547 -0.623 -6.053 1.00 0.00 O ATOM 371 CB PHE C 24 60.496 -2.799 -4.558 1.00 0.00 C ATOM 372 CG PHE C 24 61.815 -3.480 -4.836 1.00 0.00 C ATOM 373 CD1 PHE C 24 62.994 -2.975 -4.275 1.00 0.00 C ATOM 374 CD2 PHE C 24 61.860 -4.614 -5.656 1.00 0.00 C ATOM 375 CE1 PHE C 24 64.218 -3.605 -4.534 1.00 0.00 C ATOM 376 CE2 PHE C 24 63.083 -5.243 -5.914 1.00 0.00 C ATOM 377 CZ PHE C 24 64.263 -4.739 -5.353 1.00 0.00 C ATOM 0 H PHE C 24 58.521 -1.469 -4.750 1.00 0.00 H new ATOM 0 HA PHE C 24 61.227 -0.835 -3.942 1.00 0.00 H new ATOM 0 HB2 PHE C 24 60.170 -3.017 -3.541 1.00 0.00 H new ATOM 0 HB3 PHE C 24 59.728 -3.184 -5.229 1.00 0.00 H new ATOM 0 HD1 PHE C 24 62.960 -2.100 -3.643 1.00 0.00 H new ATOM 0 HD2 PHE C 24 60.951 -5.003 -6.089 1.00 0.00 H new ATOM 0 HE1 PHE C 24 65.128 -3.215 -4.101 1.00 0.00 H new ATOM 0 HE2 PHE C 24 63.117 -6.118 -6.546 1.00 0.00 H new ATOM 0 HZ PHE C 24 65.207 -5.225 -5.552 1.00 0.00 H new ATOM 387 N ASP C 25 60.720 -1.124 -7.167 1.00 0.00 N ATOM 388 CA ASP C 25 61.381 -0.843 -8.474 1.00 0.00 C ATOM 389 C ASP C 25 61.838 0.618 -8.536 1.00 0.00 C ATOM 390 O ASP C 25 62.937 0.918 -8.958 1.00 0.00 O ATOM 391 CB ASP C 25 60.305 -1.111 -9.527 1.00 0.00 C ATOM 392 CG ASP C 25 60.960 -1.628 -10.809 1.00 0.00 C ATOM 393 OD1 ASP C 25 61.728 -2.572 -10.720 1.00 0.00 O ATOM 394 OD2 ASP C 25 60.682 -1.070 -11.858 1.00 0.00 O ATOM 0 H ASP C 25 59.746 -1.422 -7.229 1.00 0.00 H new ATOM 0 HA ASP C 25 62.267 -1.459 -8.628 1.00 0.00 H new ATOM 0 HB2 ASP C 25 59.589 -1.842 -9.152 1.00 0.00 H new ATOM 0 HB3 ASP C 25 59.749 -0.197 -9.734 1.00 0.00 H new ATOM 399 N ILE C 26 61.002 1.530 -8.121 1.00 0.00 N ATOM 400 CA ILE C 26 61.387 2.971 -8.158 1.00 0.00 C ATOM 401 C ILE C 26 62.472 3.256 -7.113 1.00 0.00 C ATOM 402 O ILE C 26 63.408 3.988 -7.363 1.00 0.00 O ATOM 403 CB ILE C 26 60.099 3.730 -7.826 1.00 0.00 C ATOM 404 CG1 ILE C 26 59.239 3.843 -9.087 1.00 0.00 C ATOM 405 CG2 ILE C 26 60.434 5.135 -7.318 1.00 0.00 C ATOM 406 CD1 ILE C 26 58.166 2.754 -9.073 1.00 0.00 C ATOM 0 H ILE C 26 60.068 1.340 -7.757 1.00 0.00 H new ATOM 0 HA ILE C 26 61.796 3.268 -9.123 1.00 0.00 H new ATOM 0 HB ILE C 26 59.555 3.189 -7.052 1.00 0.00 H new ATOM 0 HG12 ILE C 26 58.773 4.827 -9.135 1.00 0.00 H new ATOM 0 HG13 ILE C 26 59.863 3.742 -9.975 1.00 0.00 H new ATOM 0 HG21 ILE C 26 59.512 5.667 -7.085 1.00 0.00 H new ATOM 0 HG22 ILE C 26 61.047 5.061 -6.420 1.00 0.00 H new ATOM 0 HG23 ILE C 26 60.982 5.679 -8.087 1.00 0.00 H new ATOM 0 HD11 ILE C 26 57.554 2.835 -9.971 1.00 0.00 H new ATOM 0 HD12 ILE C 26 58.642 1.774 -9.046 1.00 0.00 H new ATOM 0 HD13 ILE C 26 57.536 2.876 -8.192 1.00 0.00 H new ATOM 418 N PHE C 27 62.347 2.690 -5.946 1.00 0.00 N ATOM 419 CA PHE C 27 63.365 2.936 -4.885 1.00 0.00 C ATOM 420 C PHE C 27 64.762 2.543 -5.377 1.00 0.00 C ATOM 421 O PHE C 27 65.758 2.911 -4.790 1.00 0.00 O ATOM 422 CB PHE C 27 62.934 2.050 -3.715 1.00 0.00 C ATOM 423 CG PHE C 27 61.533 2.424 -3.275 1.00 0.00 C ATOM 424 CD1 PHE C 27 60.963 3.639 -3.684 1.00 0.00 C ATOM 425 CD2 PHE C 27 60.803 1.553 -2.456 1.00 0.00 C ATOM 426 CE1 PHE C 27 59.669 3.980 -3.274 1.00 0.00 C ATOM 427 CE2 PHE C 27 59.508 1.895 -2.047 1.00 0.00 C ATOM 428 CZ PHE C 27 58.941 3.108 -2.457 1.00 0.00 C ATOM 0 H PHE C 27 61.584 2.067 -5.680 1.00 0.00 H new ATOM 0 HA PHE C 27 63.421 3.988 -4.604 1.00 0.00 H new ATOM 0 HB2 PHE C 27 62.964 1.001 -4.011 1.00 0.00 H new ATOM 0 HB3 PHE C 27 63.629 2.167 -2.884 1.00 0.00 H new ATOM 0 HD1 PHE C 27 61.523 4.312 -4.316 1.00 0.00 H new ATOM 0 HD2 PHE C 27 61.239 0.617 -2.140 1.00 0.00 H new ATOM 0 HE1 PHE C 27 59.232 4.916 -3.588 1.00 0.00 H new ATOM 0 HE2 PHE C 27 58.946 1.223 -1.415 1.00 0.00 H new ATOM 0 HZ PHE C 27 57.942 3.370 -2.143 1.00 0.00 H new ATOM 438 N VAL C 28 64.845 1.798 -6.445 1.00 0.00 N ATOM 439 CA VAL C 28 66.182 1.388 -6.959 1.00 0.00 C ATOM 440 C VAL C 28 66.357 1.841 -8.412 1.00 0.00 C ATOM 441 O VAL C 28 67.118 1.263 -9.162 1.00 0.00 O ATOM 442 CB VAL C 28 66.183 -0.136 -6.868 1.00 0.00 C ATOM 443 CG1 VAL C 28 65.852 -0.561 -5.437 1.00 0.00 C ATOM 444 CG2 VAL C 28 65.131 -0.706 -7.822 1.00 0.00 C ATOM 0 H VAL C 28 64.048 1.457 -6.982 1.00 0.00 H new ATOM 0 HA VAL C 28 66.999 1.834 -6.391 1.00 0.00 H new ATOM 0 HB VAL C 28 67.167 -0.514 -7.143 1.00 0.00 H new ATOM 0 HG11 VAL C 28 65.853 -1.649 -5.371 1.00 0.00 H new ATOM 0 HG12 VAL C 28 66.600 -0.156 -4.755 1.00 0.00 H new ATOM 0 HG13 VAL C 28 64.868 -0.181 -5.163 1.00 0.00 H new ATOM 0 HG21 VAL C 28 65.132 -1.794 -7.757 1.00 0.00 H new ATOM 0 HG22 VAL C 28 64.147 -0.327 -7.547 1.00 0.00 H new ATOM 0 HG23 VAL C 28 65.364 -0.404 -8.843 1.00 0.00 H new ATOM 454 N LEU C 29 65.661 2.868 -8.815 1.00 0.00 N ATOM 455 CA LEU C 29 65.793 3.353 -10.220 1.00 0.00 C ATOM 456 C LEU C 29 67.241 3.755 -10.506 1.00 0.00 C ATOM 457 O LEU C 29 67.650 4.869 -10.245 1.00 0.00 O ATOM 458 CB LEU C 29 64.870 4.567 -10.312 1.00 0.00 C ATOM 459 CG LEU C 29 64.344 4.701 -11.743 1.00 0.00 C ATOM 460 CD1 LEU C 29 63.135 5.638 -11.757 1.00 0.00 C ATOM 461 CD2 LEU C 29 65.443 5.275 -12.639 1.00 0.00 C ATOM 0 H LEU C 29 65.007 3.393 -8.234 1.00 0.00 H new ATOM 0 HA LEU C 29 65.527 2.586 -10.947 1.00 0.00 H new ATOM 0 HB2 LEU C 29 64.038 4.458 -9.616 1.00 0.00 H new ATOM 0 HB3 LEU C 29 65.409 5.470 -10.025 1.00 0.00 H new ATOM 0 HG LEU C 29 64.048 3.720 -12.114 1.00 0.00 H new ATOM 0 HD11 LEU C 29 62.760 5.733 -12.776 1.00 0.00 H new ATOM 0 HD12 LEU C 29 62.351 5.230 -11.119 1.00 0.00 H new ATOM 0 HD13 LEU C 29 63.431 6.619 -11.386 1.00 0.00 H new ATOM 0 HD21 LEU C 29 65.069 5.370 -13.658 1.00 0.00 H new ATOM 0 HD22 LEU C 29 65.740 6.256 -12.268 1.00 0.00 H new ATOM 0 HD23 LEU C 29 66.305 4.608 -12.630 1.00 0.00 H new ATOM 473 N GLY C 30 68.021 2.856 -11.041 1.00 0.00 N ATOM 474 CA GLY C 30 69.442 3.187 -11.343 1.00 0.00 C ATOM 475 C GLY C 30 70.358 2.174 -10.655 1.00 0.00 C ATOM 476 O GLY C 30 71.337 1.727 -11.217 1.00 0.00 O ATOM 0 H GLY C 30 67.736 1.907 -11.282 1.00 0.00 H new ATOM 0 HA2 GLY C 30 69.609 3.172 -12.420 1.00 0.00 H new ATOM 0 HA3 GLY C 30 69.673 4.195 -10.999 1.00 0.00 H new ATOM 480 N ALA C 31 70.048 1.808 -9.441 1.00 0.00 N ATOM 481 CA ALA C 31 70.900 0.822 -8.716 1.00 0.00 C ATOM 482 C ALA C 31 71.279 -0.336 -9.643 1.00 0.00 C ATOM 483 O ALA C 31 70.429 -0.997 -10.207 1.00 0.00 O ATOM 484 CB ALA C 31 70.033 0.323 -7.562 1.00 0.00 C ATOM 0 H ALA C 31 69.241 2.149 -8.919 1.00 0.00 H new ATOM 0 HA ALA C 31 71.833 1.263 -8.364 1.00 0.00 H new ATOM 0 HB1 ALA C 31 70.591 -0.409 -6.978 1.00 0.00 H new ATOM 0 HB2 ALA C 31 69.758 1.163 -6.924 1.00 0.00 H new ATOM 0 HB3 ALA C 31 69.130 -0.141 -7.959 1.00 0.00 H new ATOM 490 N GLU C 32 72.550 -0.587 -9.803 1.00 0.00 N ATOM 491 CA GLU C 32 72.985 -1.703 -10.692 1.00 0.00 C ATOM 492 C GLU C 32 72.144 -2.953 -10.428 1.00 0.00 C ATOM 493 O GLU C 32 71.374 -3.383 -11.264 1.00 0.00 O ATOM 494 CB GLU C 32 74.449 -1.951 -10.323 1.00 0.00 C ATOM 495 CG GLU C 32 75.161 -2.643 -11.486 1.00 0.00 C ATOM 496 CD GLU C 32 76.359 -3.432 -10.954 1.00 0.00 C ATOM 497 OE1 GLU C 32 77.404 -2.830 -10.769 1.00 0.00 O ATOM 498 OE2 GLU C 32 76.210 -4.623 -10.738 1.00 0.00 O ATOM 0 H GLU C 32 73.306 -0.068 -9.357 1.00 0.00 H new ATOM 0 HA GLU C 32 72.864 -1.461 -11.748 1.00 0.00 H new ATOM 0 HB2 GLU C 32 74.941 -1.006 -10.092 1.00 0.00 H new ATOM 0 HB3 GLU C 32 74.509 -2.569 -9.427 1.00 0.00 H new ATOM 0 HG2 GLU C 32 74.472 -3.312 -12.002 1.00 0.00 H new ATOM 0 HG3 GLU C 32 75.494 -1.904 -12.215 1.00 0.00 H new ATOM 505 N ASP C 33 72.284 -3.542 -9.271 1.00 0.00 N ATOM 506 CA ASP C 33 71.491 -4.766 -8.958 1.00 0.00 C ATOM 507 C ASP C 33 70.028 -4.401 -8.697 1.00 0.00 C ATOM 508 O ASP C 33 69.169 -4.606 -9.531 1.00 0.00 O ATOM 509 CB ASP C 33 72.135 -5.344 -7.697 1.00 0.00 C ATOM 510 CG ASP C 33 72.489 -6.813 -7.933 1.00 0.00 C ATOM 511 OD1 ASP C 33 73.558 -7.065 -8.464 1.00 0.00 O ATOM 512 OD2 ASP C 33 71.686 -7.660 -7.579 1.00 0.00 O ATOM 0 H ASP C 33 72.912 -3.229 -8.530 1.00 0.00 H new ATOM 0 HA ASP C 33 71.494 -5.480 -9.781 1.00 0.00 H new ATOM 0 HB2 ASP C 33 73.032 -4.779 -7.442 1.00 0.00 H new ATOM 0 HB3 ASP C 33 71.451 -5.255 -6.853 1.00 0.00 H new ATOM 517 N GLY C 34 69.735 -3.860 -7.545 1.00 0.00 N ATOM 518 CA GLY C 34 68.326 -3.484 -7.234 1.00 0.00 C ATOM 519 C GLY C 34 68.169 -3.298 -5.725 1.00 0.00 C ATOM 520 O GLY C 34 67.171 -3.675 -5.143 1.00 0.00 O ATOM 0 H GLY C 34 70.410 -3.662 -6.806 1.00 0.00 H new ATOM 0 HA2 GLY C 34 68.061 -2.564 -7.754 1.00 0.00 H new ATOM 0 HA3 GLY C 34 67.645 -4.258 -7.589 1.00 0.00 H new ATOM 524 N CYS C 35 69.148 -2.719 -5.085 1.00 0.00 N ATOM 525 CA CYS C 35 69.054 -2.506 -3.613 1.00 0.00 C ATOM 526 C CYS C 35 68.951 -1.010 -3.305 1.00 0.00 C ATOM 527 O CYS C 35 69.643 -0.199 -3.887 1.00 0.00 O ATOM 528 CB CYS C 35 70.350 -3.082 -3.044 1.00 0.00 C ATOM 529 SG CYS C 35 70.614 -4.744 -3.710 1.00 0.00 S ATOM 0 H CYS C 35 70.009 -2.384 -5.518 1.00 0.00 H new ATOM 0 HA CYS C 35 68.174 -2.983 -3.181 1.00 0.00 H new ATOM 0 HB2 CYS C 35 71.191 -2.438 -3.301 1.00 0.00 H new ATOM 0 HB3 CYS C 35 70.298 -3.119 -1.956 1.00 0.00 H new ATOM 0 HG CYS C 35 70.151 -5.625 -2.874 1.00 0.00 H new ATOM 535 N ILE C 36 68.092 -0.639 -2.397 1.00 0.00 N ATOM 536 CA ILE C 36 67.946 0.806 -2.058 1.00 0.00 C ATOM 537 C ILE C 36 69.090 1.262 -1.149 1.00 0.00 C ATOM 538 O ILE C 36 69.734 0.468 -0.493 1.00 0.00 O ATOM 539 CB ILE C 36 66.607 0.911 -1.331 1.00 0.00 C ATOM 540 CG1 ILE C 36 65.493 0.376 -2.235 1.00 0.00 C ATOM 541 CG2 ILE C 36 66.325 2.375 -0.988 1.00 0.00 C ATOM 542 CD1 ILE C 36 64.294 -0.041 -1.379 1.00 0.00 C ATOM 0 H ILE C 36 67.485 -1.272 -1.875 1.00 0.00 H new ATOM 0 HA ILE C 36 67.979 1.440 -2.944 1.00 0.00 H new ATOM 0 HB ILE C 36 66.645 0.324 -0.413 1.00 0.00 H new ATOM 0 HG12 ILE C 36 65.193 1.141 -2.951 1.00 0.00 H new ATOM 0 HG13 ILE C 36 65.855 -0.475 -2.811 1.00 0.00 H new ATOM 0 HG21 ILE C 36 65.369 2.450 -0.469 1.00 0.00 H new ATOM 0 HG22 ILE C 36 67.118 2.757 -0.345 1.00 0.00 H new ATOM 0 HG23 ILE C 36 66.287 2.963 -1.905 1.00 0.00 H new ATOM 0 HD11 ILE C 36 63.502 -0.422 -2.023 1.00 0.00 H new ATOM 0 HD12 ILE C 36 64.599 -0.820 -0.680 1.00 0.00 H new ATOM 0 HD13 ILE C 36 63.926 0.821 -0.823 1.00 0.00 H new ATOM 554 N SER C 37 69.345 2.540 -1.112 1.00 0.00 N ATOM 555 CA SER C 37 70.446 3.068 -0.253 1.00 0.00 C ATOM 556 C SER C 37 70.206 4.546 0.034 1.00 0.00 C ATOM 557 O SER C 37 71.128 5.327 0.134 1.00 0.00 O ATOM 558 CB SER C 37 71.703 2.901 -1.090 1.00 0.00 C ATOM 559 OG SER C 37 72.166 1.561 -0.992 1.00 0.00 O ATOM 0 H SER C 37 68.836 3.247 -1.642 1.00 0.00 H new ATOM 0 HA SER C 37 70.515 2.552 0.704 1.00 0.00 H new ATOM 0 HB2 SER C 37 71.495 3.149 -2.131 1.00 0.00 H new ATOM 0 HB3 SER C 37 72.475 3.589 -0.746 1.00 0.00 H new ATOM 0 HG SER C 37 71.429 0.980 -0.710 1.00 0.00 H new ATOM 565 N THR C 38 68.965 4.926 0.138 1.00 0.00 N ATOM 566 CA THR C 38 68.603 6.359 0.393 1.00 0.00 C ATOM 567 C THR C 38 68.833 7.179 -0.878 1.00 0.00 C ATOM 568 O THR C 38 67.950 7.866 -1.351 1.00 0.00 O ATOM 569 CB THR C 38 69.500 6.862 1.537 1.00 0.00 C ATOM 570 OG1 THR C 38 70.713 7.377 1.008 1.00 0.00 O ATOM 571 CG2 THR C 38 69.801 5.726 2.519 1.00 0.00 C ATOM 0 H THR C 38 68.167 4.296 0.056 1.00 0.00 H new ATOM 0 HA THR C 38 67.553 6.459 0.670 1.00 0.00 H new ATOM 0 HB THR C 38 68.975 7.655 2.070 1.00 0.00 H new ATOM 0 HG1 THR C 38 71.311 6.635 0.779 1.00 0.00 H new ATOM 0 HG21 THR C 38 70.437 6.098 3.322 1.00 0.00 H new ATOM 0 HG22 THR C 38 68.868 5.351 2.939 1.00 0.00 H new ATOM 0 HG23 THR C 38 70.313 4.919 1.996 1.00 0.00 H new ATOM 579 N LYS C 39 70.005 7.100 -1.447 1.00 0.00 N ATOM 580 CA LYS C 39 70.271 7.864 -2.697 1.00 0.00 C ATOM 581 C LYS C 39 69.149 7.598 -3.702 1.00 0.00 C ATOM 582 O LYS C 39 68.757 8.464 -4.458 1.00 0.00 O ATOM 583 CB LYS C 39 71.604 7.321 -3.213 1.00 0.00 C ATOM 584 CG LYS C 39 72.684 7.538 -2.151 1.00 0.00 C ATOM 585 CD LYS C 39 73.650 6.351 -2.152 1.00 0.00 C ATOM 586 CE LYS C 39 74.513 6.396 -3.414 1.00 0.00 C ATOM 587 NZ LYS C 39 75.205 5.078 -3.453 1.00 0.00 N ATOM 0 H LYS C 39 70.786 6.542 -1.102 1.00 0.00 H new ATOM 0 HA LYS C 39 70.313 8.941 -2.537 1.00 0.00 H new ATOM 0 HB2 LYS C 39 71.513 6.260 -3.443 1.00 0.00 H new ATOM 0 HB3 LYS C 39 71.881 7.825 -4.139 1.00 0.00 H new ATOM 0 HG2 LYS C 39 73.226 8.462 -2.353 1.00 0.00 H new ATOM 0 HG3 LYS C 39 72.225 7.646 -1.168 1.00 0.00 H new ATOM 0 HD2 LYS C 39 74.283 6.383 -1.265 1.00 0.00 H new ATOM 0 HD3 LYS C 39 73.093 5.415 -2.113 1.00 0.00 H new ATOM 0 HE2 LYS C 39 73.903 6.548 -4.304 1.00 0.00 H new ATOM 0 HE3 LYS C 39 75.229 7.217 -3.374 1.00 0.00 H new ATOM 0 HZ1 LYS C 39 75.817 5.032 -4.292 1.00 0.00 H new ATOM 0 HZ2 LYS C 39 75.783 4.964 -2.596 1.00 0.00 H new ATOM 0 HZ3 LYS C 39 74.498 4.316 -3.498 1.00 0.00 H new ATOM 601 N GLU C 40 68.619 6.403 -3.703 1.00 0.00 N ATOM 602 CA GLU C 40 67.511 6.076 -4.644 1.00 0.00 C ATOM 603 C GLU C 40 66.165 6.300 -3.951 1.00 0.00 C ATOM 604 O GLU C 40 65.220 6.780 -4.543 1.00 0.00 O ATOM 605 CB GLU C 40 67.701 4.596 -4.981 1.00 0.00 C ATOM 606 CG GLU C 40 69.167 4.331 -5.333 1.00 0.00 C ATOM 607 CD GLU C 40 69.512 5.019 -6.657 1.00 0.00 C ATOM 608 OE1 GLU C 40 68.595 5.473 -7.322 1.00 0.00 O ATOM 609 OE2 GLU C 40 70.686 5.081 -6.980 1.00 0.00 O ATOM 0 H GLU C 40 68.907 5.639 -3.091 1.00 0.00 H new ATOM 0 HA GLU C 40 67.523 6.699 -5.538 1.00 0.00 H new ATOM 0 HB2 GLU C 40 67.403 3.979 -4.133 1.00 0.00 H new ATOM 0 HB3 GLU C 40 67.060 4.318 -5.818 1.00 0.00 H new ATOM 0 HG2 GLU C 40 69.815 4.703 -4.539 1.00 0.00 H new ATOM 0 HG3 GLU C 40 69.344 3.258 -5.412 1.00 0.00 H new ATOM 616 N LEU C 41 66.079 5.957 -2.693 1.00 0.00 N ATOM 617 CA LEU C 41 64.803 6.149 -1.946 1.00 0.00 C ATOM 618 C LEU C 41 64.491 7.644 -1.822 1.00 0.00 C ATOM 619 O LEU C 41 63.480 8.119 -2.300 1.00 0.00 O ATOM 620 CB LEU C 41 65.066 5.536 -0.568 1.00 0.00 C ATOM 621 CG LEU C 41 63.742 5.254 0.148 1.00 0.00 C ATOM 622 CD1 LEU C 41 62.896 6.527 0.186 1.00 0.00 C ATOM 623 CD2 LEU C 41 62.980 4.155 -0.596 1.00 0.00 C ATOM 0 H LEU C 41 66.841 5.551 -2.150 1.00 0.00 H new ATOM 0 HA LEU C 41 63.950 5.687 -2.443 1.00 0.00 H new ATOM 0 HB2 LEU C 41 65.633 4.612 -0.676 1.00 0.00 H new ATOM 0 HB3 LEU C 41 65.674 6.215 0.030 1.00 0.00 H new ATOM 0 HG LEU C 41 63.947 4.926 1.167 1.00 0.00 H new ATOM 0 HD11 LEU C 41 61.955 6.323 0.696 1.00 0.00 H new ATOM 0 HD12 LEU C 41 63.437 7.308 0.721 1.00 0.00 H new ATOM 0 HD13 LEU C 41 62.693 6.859 -0.832 1.00 0.00 H new ATOM 0 HD21 LEU C 41 62.038 3.956 -0.085 1.00 0.00 H new ATOM 0 HD22 LEU C 41 62.778 4.480 -1.617 1.00 0.00 H new ATOM 0 HD23 LEU C 41 63.581 3.246 -0.617 1.00 0.00 H new ATOM 635 N GLY C 42 65.354 8.387 -1.184 1.00 0.00 N ATOM 636 CA GLY C 42 65.107 9.848 -1.030 1.00 0.00 C ATOM 637 C GLY C 42 64.677 10.438 -2.375 1.00 0.00 C ATOM 638 O GLY C 42 63.853 11.328 -2.438 1.00 0.00 O ATOM 0 H GLY C 42 66.218 8.046 -0.763 1.00 0.00 H new ATOM 0 HA2 GLY C 42 64.333 10.020 -0.282 1.00 0.00 H new ATOM 0 HA3 GLY C 42 66.010 10.345 -0.675 1.00 0.00 H new ATOM 642 N LYS C 43 65.228 9.948 -3.452 1.00 0.00 N ATOM 643 CA LYS C 43 64.846 10.480 -4.791 1.00 0.00 C ATOM 644 C LYS C 43 63.326 10.625 -4.883 1.00 0.00 C ATOM 645 O LYS C 43 62.813 11.573 -5.444 1.00 0.00 O ATOM 646 CB LYS C 43 65.344 9.434 -5.789 1.00 0.00 C ATOM 647 CG LYS C 43 66.035 10.132 -6.961 1.00 0.00 C ATOM 648 CD LYS C 43 65.019 10.394 -8.070 1.00 0.00 C ATOM 649 CE LYS C 43 65.412 11.659 -8.837 1.00 0.00 C ATOM 650 NZ LYS C 43 66.698 11.316 -9.507 1.00 0.00 N ATOM 0 H LYS C 43 65.925 9.203 -3.463 1.00 0.00 H new ATOM 0 HA LYS C 43 65.274 11.464 -4.984 1.00 0.00 H new ATOM 0 HB2 LYS C 43 66.038 8.751 -5.299 1.00 0.00 H new ATOM 0 HB3 LYS C 43 64.508 8.835 -6.151 1.00 0.00 H new ATOM 0 HG2 LYS C 43 66.477 11.071 -6.629 1.00 0.00 H new ATOM 0 HG3 LYS C 43 66.849 9.513 -7.338 1.00 0.00 H new ATOM 0 HD2 LYS C 43 64.979 9.542 -8.749 1.00 0.00 H new ATOM 0 HD3 LYS C 43 64.022 10.509 -7.644 1.00 0.00 H new ATOM 0 HE2 LYS C 43 64.648 11.933 -9.565 1.00 0.00 H new ATOM 0 HE3 LYS C 43 65.531 12.508 -8.164 1.00 0.00 H new ATOM 0 HZ1 LYS C 43 66.879 11.991 -10.277 1.00 0.00 H new ATOM 0 HZ2 LYS C 43 67.473 11.364 -8.815 1.00 0.00 H new ATOM 0 HZ3 LYS C 43 66.641 10.353 -9.897 1.00 0.00 H new ATOM 664 N VAL C 44 62.603 9.689 -4.334 1.00 0.00 N ATOM 665 CA VAL C 44 61.116 9.764 -4.387 1.00 0.00 C ATOM 666 C VAL C 44 60.604 10.797 -3.375 1.00 0.00 C ATOM 667 O VAL C 44 59.703 11.562 -3.656 1.00 0.00 O ATOM 668 CB VAL C 44 60.647 8.353 -4.018 1.00 0.00 C ATOM 669 CG1 VAL C 44 59.213 8.399 -3.480 1.00 0.00 C ATOM 670 CG2 VAL C 44 60.700 7.463 -5.262 1.00 0.00 C ATOM 0 H VAL C 44 62.979 8.874 -3.850 1.00 0.00 H new ATOM 0 HA VAL C 44 60.743 10.075 -5.363 1.00 0.00 H new ATOM 0 HB VAL C 44 61.301 7.947 -3.246 1.00 0.00 H new ATOM 0 HG11 VAL C 44 58.889 7.391 -3.221 1.00 0.00 H new ATOM 0 HG12 VAL C 44 59.177 9.031 -2.593 1.00 0.00 H new ATOM 0 HG13 VAL C 44 58.551 8.808 -4.243 1.00 0.00 H new ATOM 0 HG21 VAL C 44 60.367 6.458 -5.004 1.00 0.00 H new ATOM 0 HG22 VAL C 44 60.048 7.875 -6.032 1.00 0.00 H new ATOM 0 HG23 VAL C 44 61.723 7.422 -5.637 1.00 0.00 H new ATOM 680 N MET C 45 61.169 10.817 -2.199 1.00 0.00 N ATOM 681 CA MET C 45 60.713 11.792 -1.167 1.00 0.00 C ATOM 682 C MET C 45 60.458 13.163 -1.800 1.00 0.00 C ATOM 683 O MET C 45 59.449 13.793 -1.552 1.00 0.00 O ATOM 684 CB MET C 45 61.863 11.869 -0.163 1.00 0.00 C ATOM 685 CG MET C 45 61.529 11.012 1.058 1.00 0.00 C ATOM 686 SD MET C 45 61.408 9.275 0.562 1.00 0.00 S ATOM 687 CE MET C 45 59.629 9.259 0.229 1.00 0.00 C ATOM 0 H MET C 45 61.927 10.200 -1.908 1.00 0.00 H new ATOM 0 HA MET C 45 59.778 11.486 -0.697 1.00 0.00 H new ATOM 0 HB2 MET C 45 62.787 11.520 -0.624 1.00 0.00 H new ATOM 0 HB3 MET C 45 62.028 12.903 0.139 1.00 0.00 H new ATOM 0 HG2 MET C 45 62.299 11.131 1.820 1.00 0.00 H new ATOM 0 HG3 MET C 45 60.589 11.341 1.500 1.00 0.00 H new ATOM 0 HE1 MET C 45 59.176 8.394 0.713 1.00 0.00 H new ATOM 0 HE2 MET C 45 59.178 10.171 0.619 1.00 0.00 H new ATOM 0 HE3 MET C 45 59.461 9.202 -0.846 1.00 0.00 H new ATOM 697 N ARG C 46 61.364 13.632 -2.612 1.00 0.00 N ATOM 698 CA ARG C 46 61.171 14.964 -3.254 1.00 0.00 C ATOM 699 C ARG C 46 60.272 14.840 -4.488 1.00 0.00 C ATOM 700 O ARG C 46 59.730 15.815 -4.971 1.00 0.00 O ATOM 701 CB ARG C 46 62.573 15.420 -3.656 1.00 0.00 C ATOM 702 CG ARG C 46 63.202 14.386 -4.593 1.00 0.00 C ATOM 703 CD ARG C 46 64.633 14.090 -4.139 1.00 0.00 C ATOM 704 NE ARG C 46 65.491 14.505 -5.282 1.00 0.00 N ATOM 705 CZ ARG C 46 66.747 14.160 -5.315 1.00 0.00 C ATOM 706 NH1 ARG C 46 67.478 14.250 -4.238 1.00 0.00 N ATOM 707 NH2 ARG C 46 67.274 13.723 -6.426 1.00 0.00 N ATOM 0 H ARG C 46 62.229 13.152 -2.859 1.00 0.00 H new ATOM 0 HA ARG C 46 60.688 15.674 -2.583 1.00 0.00 H new ATOM 0 HB2 ARG C 46 62.523 16.390 -4.150 1.00 0.00 H new ATOM 0 HB3 ARG C 46 63.193 15.546 -2.769 1.00 0.00 H new ATOM 0 HG2 ARG C 46 62.611 13.470 -4.590 1.00 0.00 H new ATOM 0 HG3 ARG C 46 63.204 14.761 -5.617 1.00 0.00 H new ATOM 0 HD2 ARG C 46 64.883 14.645 -3.235 1.00 0.00 H new ATOM 0 HD3 ARG C 46 64.764 13.032 -3.910 1.00 0.00 H new ATOM 0 HE ARG C 46 65.095 15.060 -6.041 1.00 0.00 H new ATOM 0 HH11 ARG C 46 67.066 14.591 -3.369 1.00 0.00 H new ATOM 0 HH12 ARG C 46 68.461 13.980 -4.265 1.00 0.00 H new ATOM 0 HH21 ARG C 46 66.703 13.652 -7.268 1.00 0.00 H new ATOM 0 HH22 ARG C 46 68.257 13.453 -6.452 1.00 0.00 H new ATOM 721 N MET C 47 60.110 13.653 -5.006 1.00 0.00 N ATOM 722 CA MET C 47 59.245 13.483 -6.208 1.00 0.00 C ATOM 723 C MET C 47 57.778 13.313 -5.785 1.00 0.00 C ATOM 724 O MET C 47 56.874 13.786 -6.445 1.00 0.00 O ATOM 725 CB MET C 47 59.791 12.230 -6.919 1.00 0.00 C ATOM 726 CG MET C 47 58.974 10.987 -6.546 1.00 0.00 C ATOM 727 SD MET C 47 59.546 9.574 -7.521 1.00 0.00 S ATOM 728 CE MET C 47 58.610 9.942 -9.025 1.00 0.00 C ATOM 0 H MET C 47 60.537 12.797 -4.651 1.00 0.00 H new ATOM 0 HA MET C 47 59.267 14.348 -6.871 1.00 0.00 H new ATOM 0 HB2 MET C 47 59.762 12.378 -7.998 1.00 0.00 H new ATOM 0 HB3 MET C 47 60.835 12.079 -6.646 1.00 0.00 H new ATOM 0 HG2 MET C 47 59.080 10.775 -5.482 1.00 0.00 H new ATOM 0 HG3 MET C 47 57.915 11.166 -6.732 1.00 0.00 H new ATOM 0 HE1 MET C 47 58.659 9.089 -9.702 1.00 0.00 H new ATOM 0 HE2 MET C 47 57.570 10.141 -8.767 1.00 0.00 H new ATOM 0 HE3 MET C 47 59.036 10.818 -9.514 1.00 0.00 H new ATOM 738 N LEU C 48 57.538 12.645 -4.688 1.00 0.00 N ATOM 739 CA LEU C 48 56.131 12.453 -4.226 1.00 0.00 C ATOM 740 C LEU C 48 55.427 13.807 -4.117 1.00 0.00 C ATOM 741 O LEU C 48 54.460 14.076 -4.802 1.00 0.00 O ATOM 742 CB LEU C 48 56.246 11.809 -2.843 1.00 0.00 C ATOM 743 CG LEU C 48 56.922 10.443 -2.956 1.00 0.00 C ATOM 744 CD1 LEU C 48 57.299 9.949 -1.557 1.00 0.00 C ATOM 745 CD2 LEU C 48 55.958 9.443 -3.600 1.00 0.00 C ATOM 0 H LEU C 48 58.252 12.225 -4.093 1.00 0.00 H new ATOM 0 HA LEU C 48 55.553 11.839 -4.916 1.00 0.00 H new ATOM 0 HB2 LEU C 48 56.821 12.454 -2.179 1.00 0.00 H new ATOM 0 HB3 LEU C 48 55.256 11.698 -2.401 1.00 0.00 H new ATOM 0 HG LEU C 48 57.817 10.532 -3.571 1.00 0.00 H new ATOM 0 HD11 LEU C 48 57.782 8.975 -1.633 1.00 0.00 H new ATOM 0 HD12 LEU C 48 57.984 10.658 -1.093 1.00 0.00 H new ATOM 0 HD13 LEU C 48 56.400 9.862 -0.947 1.00 0.00 H new ATOM 0 HD21 LEU C 48 56.443 8.470 -3.679 1.00 0.00 H new ATOM 0 HD22 LEU C 48 55.062 9.353 -2.985 1.00 0.00 H new ATOM 0 HD23 LEU C 48 55.682 9.793 -4.595 1.00 0.00 H new ATOM 757 N GLY C 49 55.909 14.659 -3.255 1.00 0.00 N ATOM 758 CA GLY C 49 55.278 15.998 -3.087 1.00 0.00 C ATOM 759 C GLY C 49 55.641 16.556 -1.710 1.00 0.00 C ATOM 760 O GLY C 49 54.833 17.170 -1.044 1.00 0.00 O ATOM 0 H GLY C 49 56.717 14.484 -2.657 1.00 0.00 H new ATOM 0 HA2 GLY C 49 55.621 16.675 -3.869 1.00 0.00 H new ATOM 0 HA3 GLY C 49 54.195 15.918 -3.186 1.00 0.00 H new ATOM 764 N GLN C 50 56.854 16.342 -1.279 1.00 0.00 N ATOM 765 CA GLN C 50 57.277 16.855 0.056 1.00 0.00 C ATOM 766 C GLN C 50 58.776 17.173 0.040 1.00 0.00 C ATOM 767 O GLN C 50 59.329 17.535 -0.980 1.00 0.00 O ATOM 768 CB GLN C 50 56.974 15.713 1.027 1.00 0.00 C ATOM 769 CG GLN C 50 56.098 16.231 2.171 1.00 0.00 C ATOM 770 CD GLN C 50 55.593 15.050 3.004 1.00 0.00 C ATOM 771 OE1 GLN C 50 56.000 13.925 2.794 1.00 0.00 O ATOM 772 NE2 GLN C 50 54.719 15.260 3.949 1.00 0.00 N ATOM 0 H GLN C 50 57.572 15.833 -1.794 1.00 0.00 H new ATOM 0 HA GLN C 50 56.761 17.773 0.337 1.00 0.00 H new ATOM 0 HB2 GLN C 50 56.466 14.903 0.504 1.00 0.00 H new ATOM 0 HB3 GLN C 50 57.903 15.303 1.424 1.00 0.00 H new ATOM 0 HG2 GLN C 50 56.669 16.915 2.799 1.00 0.00 H new ATOM 0 HG3 GLN C 50 55.255 16.794 1.771 1.00 0.00 H new ATOM 0 HE21 GLN C 50 54.377 16.204 4.126 1.00 0.00 H new ATOM 0 HE22 GLN C 50 54.378 14.480 4.511 1.00 0.00 H new ATOM 781 N ASN C 51 59.440 17.039 1.155 1.00 0.00 N ATOM 782 CA ASN C 51 60.902 17.336 1.188 1.00 0.00 C ATOM 783 C ASN C 51 61.470 17.077 2.585 1.00 0.00 C ATOM 784 O ASN C 51 61.736 18.001 3.328 1.00 0.00 O ATOM 785 CB ASN C 51 61.014 18.819 0.836 1.00 0.00 C ATOM 786 CG ASN C 51 60.232 19.645 1.858 1.00 0.00 C ATOM 787 OD1 ASN C 51 59.358 19.133 2.528 1.00 0.00 O ATOM 788 ND2 ASN C 51 60.512 20.911 2.010 1.00 0.00 N ATOM 0 H ASN C 51 59.036 16.738 2.042 1.00 0.00 H new ATOM 0 HA ASN C 51 61.462 16.706 0.497 1.00 0.00 H new ATOM 0 HB2 ASN C 51 62.060 19.124 0.830 1.00 0.00 H new ATOM 0 HB3 ASN C 51 60.624 18.997 -0.166 1.00 0.00 H new ATOM 0 HD21 ASN C 51 59.997 21.469 2.691 1.00 0.00 H new ATOM 0 HD22 ASN C 51 61.246 21.342 1.448 1.00 0.00 H new ATOM 795 N PRO C 52 61.642 15.821 2.896 1.00 0.00 N ATOM 796 CA PRO C 52 62.191 15.432 4.216 1.00 0.00 C ATOM 797 C PRO C 52 63.695 15.710 4.269 1.00 0.00 C ATOM 798 O PRO C 52 64.226 16.463 3.475 1.00 0.00 O ATOM 799 CB PRO C 52 61.914 13.933 4.290 1.00 0.00 C ATOM 800 CG PRO C 52 61.827 13.483 2.865 1.00 0.00 C ATOM 801 CD PRO C 52 61.344 14.657 2.054 1.00 0.00 C ATOM 0 HA PRO C 52 61.749 15.984 5.045 1.00 0.00 H new ATOM 0 HB2 PRO C 52 62.710 13.411 4.821 1.00 0.00 H new ATOM 0 HB3 PRO C 52 60.987 13.729 4.825 1.00 0.00 H new ATOM 0 HG2 PRO C 52 62.800 13.144 2.509 1.00 0.00 H new ATOM 0 HG3 PRO C 52 61.141 12.641 2.769 1.00 0.00 H new ATOM 0 HD2 PRO C 52 61.858 14.717 1.095 1.00 0.00 H new ATOM 0 HD3 PRO C 52 60.278 14.582 1.840 1.00 0.00 H new ATOM 809 N THR C 53 64.388 15.106 5.195 1.00 0.00 N ATOM 810 CA THR C 53 65.859 15.334 5.294 1.00 0.00 C ATOM 811 C THR C 53 66.611 14.033 5.007 1.00 0.00 C ATOM 812 O THR C 53 66.044 12.960 5.071 1.00 0.00 O ATOM 813 CB THR C 53 66.097 15.787 6.736 1.00 0.00 C ATOM 814 OG1 THR C 53 66.015 14.664 7.603 1.00 0.00 O ATOM 815 CG2 THR C 53 65.040 16.820 7.132 1.00 0.00 C ATOM 0 H THR C 53 64.000 14.465 5.887 1.00 0.00 H new ATOM 0 HA THR C 53 66.213 16.073 4.575 1.00 0.00 H new ATOM 0 HB THR C 53 67.086 16.237 6.816 1.00 0.00 H new ATOM 0 HG1 THR C 53 66.169 14.952 8.527 1.00 0.00 H new ATOM 0 HG21 THR C 53 65.212 17.141 8.159 1.00 0.00 H new ATOM 0 HG22 THR C 53 65.106 17.681 6.467 1.00 0.00 H new ATOM 0 HG23 THR C 53 64.048 16.375 7.052 1.00 0.00 H new ATOM 823 N PRO C 54 67.870 14.173 4.697 1.00 0.00 N ATOM 824 CA PRO C 54 68.715 12.993 4.393 1.00 0.00 C ATOM 825 C PRO C 54 69.031 12.217 5.675 1.00 0.00 C ATOM 826 O PRO C 54 69.125 11.005 5.671 1.00 0.00 O ATOM 827 CB PRO C 54 69.980 13.602 3.794 1.00 0.00 C ATOM 828 CG PRO C 54 70.038 14.993 4.341 1.00 0.00 C ATOM 829 CD PRO C 54 68.619 15.431 4.600 1.00 0.00 C ATOM 0 HA PRO C 54 68.234 12.282 3.721 1.00 0.00 H new ATOM 0 HB2 PRO C 54 70.864 13.030 4.075 1.00 0.00 H new ATOM 0 HB3 PRO C 54 69.937 13.608 2.705 1.00 0.00 H new ATOM 0 HG2 PRO C 54 70.623 15.021 5.260 1.00 0.00 H new ATOM 0 HG3 PRO C 54 70.525 15.664 3.634 1.00 0.00 H new ATOM 0 HD2 PRO C 54 68.542 16.013 5.519 1.00 0.00 H new ATOM 0 HD3 PRO C 54 68.242 16.059 3.793 1.00 0.00 H new ATOM 837 N GLU C 55 69.195 12.904 6.774 1.00 0.00 N ATOM 838 CA GLU C 55 69.503 12.200 8.053 1.00 0.00 C ATOM 839 C GLU C 55 68.362 11.247 8.417 1.00 0.00 C ATOM 840 O GLU C 55 68.557 10.256 9.093 1.00 0.00 O ATOM 841 CB GLU C 55 69.626 13.310 9.098 1.00 0.00 C ATOM 842 CG GLU C 55 70.983 13.204 9.796 1.00 0.00 C ATOM 843 CD GLU C 55 70.873 13.776 11.212 1.00 0.00 C ATOM 844 OE1 GLU C 55 70.665 14.972 11.332 1.00 0.00 O ATOM 845 OE2 GLU C 55 70.999 13.007 12.150 1.00 0.00 O ATOM 0 H GLU C 55 69.129 13.920 6.842 1.00 0.00 H new ATOM 0 HA GLU C 55 70.411 11.601 7.986 1.00 0.00 H new ATOM 0 HB2 GLU C 55 69.525 14.285 8.622 1.00 0.00 H new ATOM 0 HB3 GLU C 55 68.822 13.227 9.829 1.00 0.00 H new ATOM 0 HG2 GLU C 55 71.303 12.163 9.836 1.00 0.00 H new ATOM 0 HG3 GLU C 55 71.739 13.748 9.230 1.00 0.00 H new ATOM 852 N GLU C 56 67.169 11.538 7.973 1.00 0.00 N ATOM 853 CA GLU C 56 66.015 10.650 8.291 1.00 0.00 C ATOM 854 C GLU C 56 65.927 9.514 7.269 1.00 0.00 C ATOM 855 O GLU C 56 65.473 8.428 7.569 1.00 0.00 O ATOM 856 CB GLU C 56 64.785 11.553 8.195 1.00 0.00 C ATOM 857 CG GLU C 56 64.126 11.669 9.570 1.00 0.00 C ATOM 858 CD GLU C 56 63.172 12.865 9.579 1.00 0.00 C ATOM 859 OE1 GLU C 56 62.399 12.986 8.643 1.00 0.00 O ATOM 860 OE2 GLU C 56 63.231 13.638 10.520 1.00 0.00 O ATOM 0 H GLU C 56 66.944 12.353 7.403 1.00 0.00 H new ATOM 0 HA GLU C 56 66.106 10.187 9.274 1.00 0.00 H new ATOM 0 HB2 GLU C 56 65.073 12.540 7.834 1.00 0.00 H new ATOM 0 HB3 GLU C 56 64.077 11.145 7.474 1.00 0.00 H new ATOM 0 HG2 GLU C 56 63.581 10.754 9.802 1.00 0.00 H new ATOM 0 HG3 GLU C 56 64.887 11.791 10.341 1.00 0.00 H new ATOM 867 N LEU C 57 66.361 9.758 6.063 1.00 0.00 N ATOM 868 CA LEU C 57 66.306 8.697 5.017 1.00 0.00 C ATOM 869 C LEU C 57 66.825 7.370 5.576 1.00 0.00 C ATOM 870 O LEU C 57 66.092 6.411 5.712 1.00 0.00 O ATOM 871 CB LEU C 57 67.228 9.196 3.904 1.00 0.00 C ATOM 872 CG LEU C 57 66.463 9.239 2.580 1.00 0.00 C ATOM 873 CD1 LEU C 57 67.451 9.464 1.433 1.00 0.00 C ATOM 874 CD2 LEU C 57 65.730 7.911 2.366 1.00 0.00 C ATOM 0 H LEU C 57 66.752 10.648 5.756 1.00 0.00 H new ATOM 0 HA LEU C 57 65.290 8.519 4.665 1.00 0.00 H new ATOM 0 HB2 LEU C 57 67.605 10.189 4.149 1.00 0.00 H new ATOM 0 HB3 LEU C 57 68.093 8.539 3.814 1.00 0.00 H new ATOM 0 HG LEU C 57 65.738 10.052 2.606 1.00 0.00 H new ATOM 0 HD11 LEU C 57 66.910 9.495 0.487 1.00 0.00 H new ATOM 0 HD12 LEU C 57 67.974 10.409 1.583 1.00 0.00 H new ATOM 0 HD13 LEU C 57 68.174 8.649 1.410 1.00 0.00 H new ATOM 0 HD21 LEU C 57 65.186 7.944 1.422 1.00 0.00 H new ATOM 0 HD22 LEU C 57 66.454 7.096 2.339 1.00 0.00 H new ATOM 0 HD23 LEU C 57 65.028 7.747 3.184 1.00 0.00 H new ATOM 886 N GLN C 58 68.089 7.310 5.894 1.00 0.00 N ATOM 887 CA GLN C 58 68.669 6.048 6.435 1.00 0.00 C ATOM 888 C GLN C 58 67.713 5.401 7.441 1.00 0.00 C ATOM 889 O GLN C 58 67.638 4.193 7.548 1.00 0.00 O ATOM 890 CB GLN C 58 69.967 6.471 7.121 1.00 0.00 C ATOM 891 CG GLN C 58 71.115 6.413 6.112 1.00 0.00 C ATOM 892 CD GLN C 58 72.115 5.336 6.537 1.00 0.00 C ATOM 893 OE1 GLN C 58 73.241 5.638 6.878 1.00 0.00 O ATOM 894 NE2 GLN C 58 71.749 4.084 6.530 1.00 0.00 N ATOM 0 H GLN C 58 68.748 8.084 5.802 1.00 0.00 H new ATOM 0 HA GLN C 58 68.842 5.309 5.652 1.00 0.00 H new ATOM 0 HB2 GLN C 58 69.869 7.481 7.519 1.00 0.00 H new ATOM 0 HB3 GLN C 58 70.176 5.814 7.965 1.00 0.00 H new ATOM 0 HG2 GLN C 58 70.728 6.192 5.117 1.00 0.00 H new ATOM 0 HG3 GLN C 58 71.611 7.382 6.053 1.00 0.00 H new ATOM 0 HE21 GLN C 58 70.803 3.831 6.244 1.00 0.00 H new ATOM 0 HE22 GLN C 58 72.408 3.358 6.811 1.00 0.00 H new ATOM 903 N GLU C 59 66.983 6.188 8.182 1.00 0.00 N ATOM 904 CA GLU C 59 66.040 5.599 9.175 1.00 0.00 C ATOM 905 C GLU C 59 65.206 4.497 8.516 1.00 0.00 C ATOM 906 O GLU C 59 64.894 3.494 9.124 1.00 0.00 O ATOM 907 CB GLU C 59 65.148 6.757 9.622 1.00 0.00 C ATOM 908 CG GLU C 59 64.472 6.394 10.946 1.00 0.00 C ATOM 909 CD GLU C 59 63.549 7.534 11.380 1.00 0.00 C ATOM 910 OE1 GLU C 59 64.040 8.464 11.998 1.00 0.00 O ATOM 911 OE2 GLU C 59 62.367 7.456 11.088 1.00 0.00 O ATOM 0 H GLU C 59 66.998 7.207 8.144 1.00 0.00 H new ATOM 0 HA GLU C 59 66.560 5.145 10.018 1.00 0.00 H new ATOM 0 HB2 GLU C 59 65.742 7.663 9.740 1.00 0.00 H new ATOM 0 HB3 GLU C 59 64.395 6.966 8.862 1.00 0.00 H new ATOM 0 HG2 GLU C 59 63.901 5.473 10.834 1.00 0.00 H new ATOM 0 HG3 GLU C 59 65.225 6.211 11.712 1.00 0.00 H new ATOM 918 N MET C 60 64.848 4.674 7.272 1.00 0.00 N ATOM 919 CA MET C 60 64.041 3.632 6.571 1.00 0.00 C ATOM 920 C MET C 60 64.947 2.477 6.133 1.00 0.00 C ATOM 921 O MET C 60 64.497 1.505 5.559 1.00 0.00 O ATOM 922 CB MET C 60 63.451 4.340 5.350 1.00 0.00 C ATOM 923 CG MET C 60 62.181 5.088 5.756 1.00 0.00 C ATOM 924 SD MET C 60 61.441 5.854 4.293 1.00 0.00 S ATOM 925 CE MET C 60 61.690 7.577 4.788 1.00 0.00 C ATOM 0 H MET C 60 65.079 5.494 6.711 1.00 0.00 H new ATOM 0 HA MET C 60 63.265 3.209 7.210 1.00 0.00 H new ATOM 0 HB2 MET C 60 64.179 5.037 4.934 1.00 0.00 H new ATOM 0 HB3 MET C 60 63.224 3.613 4.570 1.00 0.00 H new ATOM 0 HG2 MET C 60 61.473 4.400 6.218 1.00 0.00 H new ATOM 0 HG3 MET C 60 62.416 5.850 6.499 1.00 0.00 H new ATOM 0 HE1 MET C 60 61.299 8.238 4.015 1.00 0.00 H new ATOM 0 HE2 MET C 60 61.167 7.766 5.725 1.00 0.00 H new ATOM 0 HE3 MET C 60 62.755 7.767 4.923 1.00 0.00 H new ATOM 935 N ILE C 61 66.221 2.579 6.396 1.00 0.00 N ATOM 936 CA ILE C 61 67.159 1.493 5.991 1.00 0.00 C ATOM 937 C ILE C 61 67.460 0.578 7.182 1.00 0.00 C ATOM 938 O ILE C 61 67.199 -0.608 7.147 1.00 0.00 O ATOM 939 CB ILE C 61 68.425 2.221 5.539 1.00 0.00 C ATOM 940 CG1 ILE C 61 68.056 3.281 4.502 1.00 0.00 C ATOM 941 CG2 ILE C 61 69.411 1.220 4.932 1.00 0.00 C ATOM 942 CD1 ILE C 61 67.733 2.592 3.186 1.00 0.00 C ATOM 0 H ILE C 61 66.654 3.369 6.875 1.00 0.00 H new ATOM 0 HA ILE C 61 66.747 0.860 5.205 1.00 0.00 H new ATOM 0 HB ILE C 61 68.894 2.702 6.398 1.00 0.00 H new ATOM 0 HG12 ILE C 61 67.199 3.861 4.844 1.00 0.00 H new ATOM 0 HG13 ILE C 61 68.881 3.981 4.368 1.00 0.00 H new ATOM 0 HG21 ILE C 61 70.311 1.745 4.612 1.00 0.00 H new ATOM 0 HG22 ILE C 61 69.674 0.470 5.678 1.00 0.00 H new ATOM 0 HG23 ILE C 61 68.951 0.731 4.073 1.00 0.00 H new ATOM 0 HD11 ILE C 61 67.468 3.340 2.439 1.00 0.00 H new ATOM 0 HD12 ILE C 61 68.604 2.031 2.845 1.00 0.00 H new ATOM 0 HD13 ILE C 61 66.895 1.910 3.329 1.00 0.00 H new ATOM 954 N ASP C 62 68.011 1.119 8.235 1.00 0.00 N ATOM 955 CA ASP C 62 68.332 0.280 9.425 1.00 0.00 C ATOM 956 C ASP C 62 67.052 -0.319 10.015 1.00 0.00 C ATOM 957 O ASP C 62 67.067 -1.384 10.599 1.00 0.00 O ATOM 958 CB ASP C 62 68.982 1.241 10.421 1.00 0.00 C ATOM 959 CG ASP C 62 70.343 1.687 9.885 1.00 0.00 C ATOM 960 OD1 ASP C 62 70.721 1.222 8.823 1.00 0.00 O ATOM 961 OD2 ASP C 62 70.984 2.487 10.546 1.00 0.00 O ATOM 0 H ASP C 62 68.253 2.106 8.322 1.00 0.00 H new ATOM 0 HA ASP C 62 68.986 -0.556 9.176 1.00 0.00 H new ATOM 0 HB2 ASP C 62 68.340 2.107 10.579 1.00 0.00 H new ATOM 0 HB3 ASP C 62 69.102 0.753 11.388 1.00 0.00 H new ATOM 966 N GLU C 63 65.948 0.359 9.871 1.00 0.00 N ATOM 967 CA GLU C 63 64.670 -0.170 10.425 1.00 0.00 C ATOM 968 C GLU C 63 64.415 -1.593 9.919 1.00 0.00 C ATOM 969 O GLU C 63 63.765 -2.386 10.570 1.00 0.00 O ATOM 970 CB GLU C 63 63.591 0.783 9.910 1.00 0.00 C ATOM 971 CG GLU C 63 63.105 1.672 11.055 1.00 0.00 C ATOM 972 CD GLU C 63 61.598 1.488 11.240 1.00 0.00 C ATOM 973 OE1 GLU C 63 60.862 1.837 10.331 1.00 0.00 O ATOM 974 OE2 GLU C 63 61.204 1.000 12.286 1.00 0.00 O ATOM 0 H GLU C 63 65.875 1.257 9.393 1.00 0.00 H new ATOM 0 HA GLU C 63 64.685 -0.222 11.514 1.00 0.00 H new ATOM 0 HB2 GLU C 63 63.989 1.397 9.103 1.00 0.00 H new ATOM 0 HB3 GLU C 63 62.757 0.216 9.497 1.00 0.00 H new ATOM 0 HG2 GLU C 63 63.629 1.416 11.976 1.00 0.00 H new ATOM 0 HG3 GLU C 63 63.331 2.716 10.840 1.00 0.00 H new ATOM 981 N VAL C 64 64.922 -1.922 8.762 1.00 0.00 N ATOM 982 CA VAL C 64 64.704 -3.292 8.217 1.00 0.00 C ATOM 983 C VAL C 64 66.033 -3.902 7.763 1.00 0.00 C ATOM 984 O VAL C 64 66.068 -4.813 6.959 1.00 0.00 O ATOM 985 CB VAL C 64 63.769 -3.099 7.023 1.00 0.00 C ATOM 986 CG1 VAL C 64 62.365 -2.757 7.524 1.00 0.00 C ATOM 987 CG2 VAL C 64 64.289 -1.955 6.150 1.00 0.00 C ATOM 0 H VAL C 64 65.477 -1.302 8.172 1.00 0.00 H new ATOM 0 HA VAL C 64 64.283 -3.968 8.961 1.00 0.00 H new ATOM 0 HB VAL C 64 63.733 -4.018 6.438 1.00 0.00 H new ATOM 0 HG11 VAL C 64 61.698 -2.619 6.673 1.00 0.00 H new ATOM 0 HG12 VAL C 64 61.993 -3.570 8.148 1.00 0.00 H new ATOM 0 HG13 VAL C 64 62.401 -1.838 8.109 1.00 0.00 H new ATOM 0 HG21 VAL C 64 63.623 -1.816 5.298 1.00 0.00 H new ATOM 0 HG22 VAL C 64 64.324 -1.037 6.736 1.00 0.00 H new ATOM 0 HG23 VAL C 64 65.290 -2.196 5.793 1.00 0.00 H new ATOM 997 N ASP C 65 67.129 -3.410 8.274 1.00 0.00 N ATOM 998 CA ASP C 65 68.454 -3.962 7.871 1.00 0.00 C ATOM 999 C ASP C 65 69.043 -4.803 9.007 1.00 0.00 C ATOM 1000 O ASP C 65 69.549 -4.280 9.981 1.00 0.00 O ATOM 1001 CB ASP C 65 69.330 -2.740 7.599 1.00 0.00 C ATOM 1002 CG ASP C 65 69.668 -2.676 6.109 1.00 0.00 C ATOM 1003 OD1 ASP C 65 68.785 -2.342 5.336 1.00 0.00 O ATOM 1004 OD2 ASP C 65 70.803 -2.961 5.766 1.00 0.00 O ATOM 0 H ASP C 65 67.164 -2.650 8.953 1.00 0.00 H new ATOM 0 HA ASP C 65 68.382 -4.611 6.998 1.00 0.00 H new ATOM 0 HB2 ASP C 65 68.810 -1.832 7.904 1.00 0.00 H new ATOM 0 HB3 ASP C 65 70.245 -2.797 8.188 1.00 0.00 H new ATOM 1009 N GLU C 66 68.982 -6.101 8.891 1.00 0.00 N ATOM 1010 CA GLU C 66 69.539 -6.972 9.966 1.00 0.00 C ATOM 1011 C GLU C 66 71.020 -7.255 9.703 1.00 0.00 C ATOM 1012 O GLU C 66 71.552 -8.268 10.114 1.00 0.00 O ATOM 1013 CB GLU C 66 68.723 -8.264 9.892 1.00 0.00 C ATOM 1014 CG GLU C 66 67.639 -8.245 10.971 1.00 0.00 C ATOM 1015 CD GLU C 66 66.357 -7.637 10.396 1.00 0.00 C ATOM 1016 OE1 GLU C 66 66.456 -6.631 9.713 1.00 0.00 O ATOM 1017 OE2 GLU C 66 65.298 -8.188 10.649 1.00 0.00 O ATOM 0 H GLU C 66 68.571 -6.596 8.100 1.00 0.00 H new ATOM 0 HA GLU C 66 69.475 -6.506 10.950 1.00 0.00 H new ATOM 0 HB2 GLU C 66 68.268 -8.364 8.906 1.00 0.00 H new ATOM 0 HB3 GLU C 66 69.375 -9.127 10.031 1.00 0.00 H new ATOM 0 HG2 GLU C 66 67.447 -9.257 11.326 1.00 0.00 H new ATOM 0 HG3 GLU C 66 67.976 -7.665 11.830 1.00 0.00 H new ATOM 1024 N ASP C 67 71.692 -6.366 9.022 1.00 0.00 N ATOM 1025 CA ASP C 67 73.139 -6.583 8.734 1.00 0.00 C ATOM 1026 C ASP C 67 73.931 -5.306 9.025 1.00 0.00 C ATOM 1027 O ASP C 67 75.020 -5.349 9.561 1.00 0.00 O ATOM 1028 CB ASP C 67 73.200 -6.927 7.246 1.00 0.00 C ATOM 1029 CG ASP C 67 72.360 -5.923 6.455 1.00 0.00 C ATOM 1030 OD1 ASP C 67 72.767 -4.777 6.370 1.00 0.00 O ATOM 1031 OD2 ASP C 67 71.322 -6.318 5.950 1.00 0.00 O ATOM 0 H ASP C 67 71.301 -5.499 8.653 1.00 0.00 H new ATOM 0 HA ASP C 67 73.570 -7.371 9.351 1.00 0.00 H new ATOM 0 HB2 ASP C 67 74.233 -6.906 6.899 1.00 0.00 H new ATOM 0 HB3 ASP C 67 72.829 -7.938 7.080 1.00 0.00 H new ATOM 1036 N GLY C 68 73.392 -4.171 8.675 1.00 0.00 N ATOM 1037 CA GLY C 68 74.116 -2.893 8.931 1.00 0.00 C ATOM 1038 C GLY C 68 74.897 -2.486 7.681 1.00 0.00 C ATOM 1039 O GLY C 68 75.903 -1.809 7.760 1.00 0.00 O ATOM 0 H GLY C 68 72.483 -4.073 8.223 1.00 0.00 H new ATOM 0 HA2 GLY C 68 73.407 -2.110 9.200 1.00 0.00 H new ATOM 0 HA3 GLY C 68 74.796 -3.011 9.774 1.00 0.00 H new ATOM 1043 N SER C 69 74.443 -2.894 6.528 1.00 0.00 N ATOM 1044 CA SER C 69 75.162 -2.530 5.273 1.00 0.00 C ATOM 1045 C SER C 69 74.650 -1.191 4.736 1.00 0.00 C ATOM 1046 O SER C 69 75.148 -0.672 3.757 1.00 0.00 O ATOM 1047 CB SER C 69 74.838 -3.656 4.291 1.00 0.00 C ATOM 1048 OG SER C 69 73.427 -3.765 4.153 1.00 0.00 O ATOM 0 H SER C 69 73.606 -3.463 6.400 1.00 0.00 H new ATOM 0 HA SER C 69 76.235 -2.420 5.431 1.00 0.00 H new ATOM 0 HB2 SER C 69 75.295 -3.453 3.323 1.00 0.00 H new ATOM 0 HB3 SER C 69 75.254 -4.598 4.649 1.00 0.00 H new ATOM 0 HG SER C 69 73.118 -3.150 3.456 1.00 0.00 H new ATOM 1054 N GLY C 70 73.657 -0.626 5.368 1.00 0.00 N ATOM 1055 CA GLY C 70 73.116 0.678 4.889 1.00 0.00 C ATOM 1056 C GLY C 70 72.420 0.480 3.541 1.00 0.00 C ATOM 1057 O GLY C 70 72.418 1.356 2.699 1.00 0.00 O ATOM 0 H GLY C 70 73.198 -1.010 6.194 1.00 0.00 H new ATOM 0 HA2 GLY C 70 72.412 1.081 5.617 1.00 0.00 H new ATOM 0 HA3 GLY C 70 73.923 1.404 4.790 1.00 0.00 H new ATOM 1061 N THR C 71 71.830 -0.665 3.329 1.00 0.00 N ATOM 1062 CA THR C 71 71.134 -0.919 2.034 1.00 0.00 C ATOM 1063 C THR C 71 69.872 -1.755 2.268 1.00 0.00 C ATOM 1064 O THR C 71 69.774 -2.488 3.231 1.00 0.00 O ATOM 1065 CB THR C 71 72.144 -1.692 1.186 1.00 0.00 C ATOM 1066 OG1 THR C 71 72.583 -2.838 1.903 1.00 0.00 O ATOM 1067 CG2 THR C 71 73.340 -0.795 0.871 1.00 0.00 C ATOM 0 H THR C 71 71.800 -1.436 3.996 1.00 0.00 H new ATOM 0 HA THR C 71 70.817 0.003 1.547 1.00 0.00 H new ATOM 0 HB THR C 71 71.673 -2.005 0.254 1.00 0.00 H new ATOM 0 HG1 THR C 71 73.230 -3.336 1.360 1.00 0.00 H new ATOM 0 HG21 THR C 71 74.060 -1.347 0.266 1.00 0.00 H new ATOM 0 HG22 THR C 71 73.001 0.083 0.321 1.00 0.00 H new ATOM 0 HG23 THR C 71 73.813 -0.480 1.801 1.00 0.00 H new ATOM 1075 N VAL C 72 68.905 -1.648 1.397 1.00 0.00 N ATOM 1076 CA VAL C 72 67.652 -2.436 1.575 1.00 0.00 C ATOM 1077 C VAL C 72 67.304 -3.186 0.287 1.00 0.00 C ATOM 1078 O VAL C 72 67.648 -2.768 -0.800 1.00 0.00 O ATOM 1079 CB VAL C 72 66.576 -1.401 1.901 1.00 0.00 C ATOM 1080 CG1 VAL C 72 65.195 -2.052 1.811 1.00 0.00 C ATOM 1081 CG2 VAL C 72 66.799 -0.871 3.318 1.00 0.00 C ATOM 0 H VAL C 72 68.929 -1.050 0.571 1.00 0.00 H new ATOM 0 HA VAL C 72 67.747 -3.187 2.359 1.00 0.00 H new ATOM 0 HB VAL C 72 66.634 -0.578 1.189 1.00 0.00 H new ATOM 0 HG11 VAL C 72 64.428 -1.313 2.044 1.00 0.00 H new ATOM 0 HG12 VAL C 72 65.037 -2.433 0.802 1.00 0.00 H new ATOM 0 HG13 VAL C 72 65.134 -2.875 2.523 1.00 0.00 H new ATOM 0 HG21 VAL C 72 66.033 -0.132 3.555 1.00 0.00 H new ATOM 0 HG22 VAL C 72 66.740 -1.696 4.028 1.00 0.00 H new ATOM 0 HG23 VAL C 72 67.783 -0.407 3.382 1.00 0.00 H new ATOM 1091 N ASP C 73 66.622 -4.292 0.404 1.00 0.00 N ATOM 1092 CA ASP C 73 66.249 -5.074 -0.809 1.00 0.00 C ATOM 1093 C ASP C 73 64.796 -5.541 -0.704 1.00 0.00 C ATOM 1094 O ASP C 73 64.186 -5.465 0.345 1.00 0.00 O ATOM 1095 CB ASP C 73 67.197 -6.273 -0.815 1.00 0.00 C ATOM 1096 CG ASP C 73 68.620 -5.805 -0.498 1.00 0.00 C ATOM 1097 OD1 ASP C 73 69.251 -5.253 -1.383 1.00 0.00 O ATOM 1098 OD2 ASP C 73 69.052 -6.007 0.625 1.00 0.00 O ATOM 0 H ASP C 73 66.306 -4.689 1.289 1.00 0.00 H new ATOM 0 HA ASP C 73 66.332 -4.486 -1.723 1.00 0.00 H new ATOM 0 HB2 ASP C 73 66.873 -7.009 -0.079 1.00 0.00 H new ATOM 0 HB3 ASP C 73 67.173 -6.763 -1.788 1.00 0.00 H new ATOM 1103 N PHE C 74 64.235 -6.027 -1.776 1.00 0.00 N ATOM 1104 CA PHE C 74 62.823 -6.500 -1.721 1.00 0.00 C ATOM 1105 C PHE C 74 62.606 -7.332 -0.454 1.00 0.00 C ATOM 1106 O PHE C 74 61.509 -7.425 0.059 1.00 0.00 O ATOM 1107 CB PHE C 74 62.639 -7.360 -2.971 1.00 0.00 C ATOM 1108 CG PHE C 74 61.165 -7.583 -3.214 1.00 0.00 C ATOM 1109 CD1 PHE C 74 60.266 -6.516 -3.095 1.00 0.00 C ATOM 1110 CD2 PHE C 74 60.697 -8.858 -3.554 1.00 0.00 C ATOM 1111 CE1 PHE C 74 58.899 -6.724 -3.317 1.00 0.00 C ATOM 1112 CE2 PHE C 74 59.331 -9.066 -3.776 1.00 0.00 C ATOM 1113 CZ PHE C 74 58.432 -7.999 -3.657 1.00 0.00 C ATOM 0 H PHE C 74 64.690 -6.117 -2.684 1.00 0.00 H new ATOM 0 HA PHE C 74 62.108 -5.678 -1.693 1.00 0.00 H new ATOM 0 HB2 PHE C 74 63.091 -6.869 -3.833 1.00 0.00 H new ATOM 0 HB3 PHE C 74 63.147 -8.316 -2.846 1.00 0.00 H new ATOM 0 HD1 PHE C 74 60.627 -5.533 -2.832 1.00 0.00 H new ATOM 0 HD2 PHE C 74 61.390 -9.681 -3.645 1.00 0.00 H new ATOM 0 HE1 PHE C 74 58.205 -5.901 -3.226 1.00 0.00 H new ATOM 0 HE2 PHE C 74 58.970 -10.049 -4.039 1.00 0.00 H new ATOM 0 HZ PHE C 74 57.378 -8.160 -3.828 1.00 0.00 H new ATOM 1123 N ASP C 75 63.650 -7.927 0.058 1.00 0.00 N ATOM 1124 CA ASP C 75 63.508 -8.743 1.299 1.00 0.00 C ATOM 1125 C ASP C 75 63.379 -7.820 2.511 1.00 0.00 C ATOM 1126 O ASP C 75 62.401 -7.859 3.232 1.00 0.00 O ATOM 1127 CB ASP C 75 64.795 -9.564 1.385 1.00 0.00 C ATOM 1128 CG ASP C 75 64.488 -11.030 1.080 1.00 0.00 C ATOM 1129 OD1 ASP C 75 64.223 -11.332 -0.071 1.00 0.00 O ATOM 1130 OD2 ASP C 75 64.524 -11.827 2.003 1.00 0.00 O ATOM 0 H ASP C 75 64.593 -7.884 -0.328 1.00 0.00 H new ATOM 0 HA ASP C 75 62.623 -9.380 1.281 1.00 0.00 H new ATOM 0 HB2 ASP C 75 65.531 -9.181 0.678 1.00 0.00 H new ATOM 0 HB3 ASP C 75 65.231 -9.472 2.380 1.00 0.00 H new ATOM 1135 N GLU C 76 64.354 -6.981 2.736 1.00 0.00 N ATOM 1136 CA GLU C 76 64.280 -6.049 3.896 1.00 0.00 C ATOM 1137 C GLU C 76 63.233 -4.967 3.622 1.00 0.00 C ATOM 1138 O GLU C 76 62.576 -4.482 4.522 1.00 0.00 O ATOM 1139 CB GLU C 76 65.675 -5.432 4.003 1.00 0.00 C ATOM 1140 CG GLU C 76 66.716 -6.543 4.149 1.00 0.00 C ATOM 1141 CD GLU C 76 68.120 -5.943 4.046 1.00 0.00 C ATOM 1142 OE1 GLU C 76 68.350 -4.914 4.658 1.00 0.00 O ATOM 1143 OE2 GLU C 76 68.941 -6.525 3.356 1.00 0.00 O ATOM 0 H GLU C 76 65.197 -6.901 2.167 1.00 0.00 H new ATOM 0 HA GLU C 76 63.991 -6.553 4.818 1.00 0.00 H new ATOM 0 HB2 GLU C 76 65.888 -4.834 3.117 1.00 0.00 H new ATOM 0 HB3 GLU C 76 65.722 -4.760 4.860 1.00 0.00 H new ATOM 0 HG2 GLU C 76 66.594 -7.047 5.108 1.00 0.00 H new ATOM 0 HG3 GLU C 76 66.572 -7.295 3.373 1.00 0.00 H new ATOM 1150 N PHE C 77 63.072 -4.590 2.384 1.00 0.00 N ATOM 1151 CA PHE C 77 62.066 -3.543 2.046 1.00 0.00 C ATOM 1152 C PHE C 77 60.661 -4.033 2.403 1.00 0.00 C ATOM 1153 O PHE C 77 59.843 -3.291 2.908 1.00 0.00 O ATOM 1154 CB PHE C 77 62.199 -3.340 0.535 1.00 0.00 C ATOM 1155 CG PHE C 77 60.993 -2.593 0.018 1.00 0.00 C ATOM 1156 CD1 PHE C 77 60.699 -1.315 0.508 1.00 0.00 C ATOM 1157 CD2 PHE C 77 60.168 -3.180 -0.950 1.00 0.00 C ATOM 1158 CE1 PHE C 77 59.580 -0.622 0.029 1.00 0.00 C ATOM 1159 CE2 PHE C 77 59.049 -2.486 -1.428 1.00 0.00 C ATOM 1160 CZ PHE C 77 58.755 -1.208 -0.939 1.00 0.00 C ATOM 0 H PHE C 77 63.594 -4.962 1.590 1.00 0.00 H new ATOM 0 HA PHE C 77 62.229 -2.616 2.595 1.00 0.00 H new ATOM 0 HB2 PHE C 77 63.109 -2.783 0.311 1.00 0.00 H new ATOM 0 HB3 PHE C 77 62.285 -4.304 0.034 1.00 0.00 H new ATOM 0 HD1 PHE C 77 61.335 -0.864 1.255 1.00 0.00 H new ATOM 0 HD2 PHE C 77 60.394 -4.166 -1.327 1.00 0.00 H new ATOM 0 HE1 PHE C 77 59.353 0.364 0.406 1.00 0.00 H new ATOM 0 HE2 PHE C 77 58.413 -2.938 -2.175 1.00 0.00 H new ATOM 0 HZ PHE C 77 57.892 -0.674 -1.308 1.00 0.00 H new ATOM 1170 N LEU C 78 60.376 -5.281 2.141 1.00 0.00 N ATOM 1171 CA LEU C 78 59.025 -5.822 2.465 1.00 0.00 C ATOM 1172 C LEU C 78 58.698 -5.584 3.941 1.00 0.00 C ATOM 1173 O LEU C 78 57.671 -5.031 4.280 1.00 0.00 O ATOM 1174 CB LEU C 78 59.123 -7.320 2.176 1.00 0.00 C ATOM 1175 CG LEU C 78 58.569 -7.608 0.779 1.00 0.00 C ATOM 1176 CD1 LEU C 78 58.943 -9.033 0.366 1.00 0.00 C ATOM 1177 CD2 LEU C 78 57.046 -7.465 0.800 1.00 0.00 C ATOM 0 H LEU C 78 61.020 -5.948 1.717 1.00 0.00 H new ATOM 0 HA LEU C 78 58.238 -5.342 1.884 1.00 0.00 H new ATOM 0 HB2 LEU C 78 60.161 -7.647 2.242 1.00 0.00 H new ATOM 0 HB3 LEU C 78 58.564 -7.883 2.924 1.00 0.00 H new ATOM 0 HG LEU C 78 58.992 -6.902 0.065 1.00 0.00 H new ATOM 0 HD11 LEU C 78 58.549 -9.239 -0.629 1.00 0.00 H new ATOM 0 HD12 LEU C 78 60.028 -9.136 0.355 1.00 0.00 H new ATOM 0 HD13 LEU C 78 58.519 -9.741 1.078 1.00 0.00 H new ATOM 0 HD21 LEU C 78 56.648 -7.669 -0.194 1.00 0.00 H new ATOM 0 HD22 LEU C 78 56.624 -8.173 1.513 1.00 0.00 H new ATOM 0 HD23 LEU C 78 56.780 -6.450 1.096 1.00 0.00 H new ATOM 1189 N VAL C 79 59.566 -6.002 4.821 1.00 0.00 N ATOM 1190 CA VAL C 79 59.310 -5.807 6.275 1.00 0.00 C ATOM 1191 C VAL C 79 59.067 -4.327 6.581 1.00 0.00 C ATOM 1192 O VAL C 79 58.529 -3.980 7.611 1.00 0.00 O ATOM 1193 CB VAL C 79 60.583 -6.291 6.965 1.00 0.00 C ATOM 1194 CG1 VAL C 79 60.387 -6.249 8.482 1.00 0.00 C ATOM 1195 CG2 VAL C 79 60.884 -7.727 6.529 1.00 0.00 C ATOM 0 H VAL C 79 60.443 -6.471 4.595 1.00 0.00 H new ATOM 0 HA VAL C 79 58.427 -6.348 6.614 1.00 0.00 H new ATOM 0 HB VAL C 79 61.416 -5.645 6.688 1.00 0.00 H new ATOM 0 HG11 VAL C 79 61.295 -6.594 8.976 1.00 0.00 H new ATOM 0 HG12 VAL C 79 60.171 -5.227 8.793 1.00 0.00 H new ATOM 0 HG13 VAL C 79 59.555 -6.896 8.759 1.00 0.00 H new ATOM 0 HG21 VAL C 79 61.793 -8.074 7.021 1.00 0.00 H new ATOM 0 HG22 VAL C 79 60.052 -8.374 6.807 1.00 0.00 H new ATOM 0 HG23 VAL C 79 61.022 -7.758 5.448 1.00 0.00 H new ATOM 1205 N MET C 80 59.463 -3.451 5.698 1.00 0.00 N ATOM 1206 CA MET C 80 59.257 -1.994 5.947 1.00 0.00 C ATOM 1207 C MET C 80 57.827 -1.582 5.584 1.00 0.00 C ATOM 1208 O MET C 80 57.292 -0.630 6.118 1.00 0.00 O ATOM 1209 CB MET C 80 60.263 -1.289 5.036 1.00 0.00 C ATOM 1210 CG MET C 80 60.468 0.150 5.515 1.00 0.00 C ATOM 1211 SD MET C 80 59.484 1.274 4.492 1.00 0.00 S ATOM 1212 CE MET C 80 60.757 1.625 3.254 1.00 0.00 C ATOM 0 H MET C 80 59.920 -3.680 4.815 1.00 0.00 H new ATOM 0 HA MET C 80 59.402 -1.735 6.996 1.00 0.00 H new ATOM 0 HB2 MET C 80 61.213 -1.824 5.043 1.00 0.00 H new ATOM 0 HB3 MET C 80 59.902 -1.293 4.007 1.00 0.00 H new ATOM 0 HG2 MET C 80 60.174 0.242 6.561 1.00 0.00 H new ATOM 0 HG3 MET C 80 61.523 0.417 5.456 1.00 0.00 H new ATOM 0 HE1 MET C 80 60.359 2.313 2.508 1.00 0.00 H new ATOM 0 HE2 MET C 80 61.622 2.076 3.740 1.00 0.00 H new ATOM 0 HE3 MET C 80 61.057 0.697 2.767 1.00 0.00 H new ATOM 1222 N MET C 81 57.205 -2.285 4.679 1.00 0.00 N ATOM 1223 CA MET C 81 55.812 -1.924 4.286 1.00 0.00 C ATOM 1224 C MET C 81 54.804 -2.612 5.210 1.00 0.00 C ATOM 1225 O MET C 81 53.721 -2.114 5.442 1.00 0.00 O ATOM 1226 CB MET C 81 55.661 -2.431 2.852 1.00 0.00 C ATOM 1227 CG MET C 81 56.079 -1.329 1.876 1.00 0.00 C ATOM 1228 SD MET C 81 54.629 -0.344 1.422 1.00 0.00 S ATOM 1229 CE MET C 81 55.484 1.236 1.210 1.00 0.00 C ATOM 0 H MET C 81 57.599 -3.092 4.195 1.00 0.00 H new ATOM 0 HA MET C 81 55.627 -0.852 4.360 1.00 0.00 H new ATOM 0 HB2 MET C 81 56.277 -3.318 2.702 1.00 0.00 H new ATOM 0 HB3 MET C 81 54.628 -2.725 2.665 1.00 0.00 H new ATOM 0 HG2 MET C 81 56.836 -0.692 2.333 1.00 0.00 H new ATOM 0 HG3 MET C 81 56.527 -1.768 0.985 1.00 0.00 H new ATOM 0 HE1 MET C 81 54.765 2.003 0.923 1.00 0.00 H new ATOM 0 HE2 MET C 81 55.962 1.520 2.148 1.00 0.00 H new ATOM 0 HE3 MET C 81 56.241 1.139 0.432 1.00 0.00 H new ATOM 1239 N VAL C 82 55.152 -3.752 5.741 1.00 0.00 N ATOM 1240 CA VAL C 82 54.215 -4.473 6.651 1.00 0.00 C ATOM 1241 C VAL C 82 53.971 -3.653 7.920 1.00 0.00 C ATOM 1242 O VAL C 82 52.897 -3.676 8.489 1.00 0.00 O ATOM 1243 CB VAL C 82 54.926 -5.783 6.988 1.00 0.00 C ATOM 1244 CG1 VAL C 82 53.942 -6.746 7.654 1.00 0.00 C ATOM 1245 CG2 VAL C 82 55.463 -6.411 5.701 1.00 0.00 C ATOM 0 H VAL C 82 56.046 -4.217 5.584 1.00 0.00 H new ATOM 0 HA VAL C 82 53.241 -4.642 6.192 1.00 0.00 H new ATOM 0 HB VAL C 82 55.752 -5.584 7.671 1.00 0.00 H new ATOM 0 HG11 VAL C 82 54.452 -7.679 7.893 1.00 0.00 H new ATOM 0 HG12 VAL C 82 53.557 -6.297 8.570 1.00 0.00 H new ATOM 0 HG13 VAL C 82 53.114 -6.949 6.974 1.00 0.00 H new ATOM 0 HG21 VAL C 82 55.971 -7.346 5.937 1.00 0.00 H new ATOM 0 HG22 VAL C 82 54.635 -6.610 5.020 1.00 0.00 H new ATOM 0 HG23 VAL C 82 56.166 -5.726 5.227 1.00 0.00 H new ATOM 1255 N ARG C 83 54.959 -2.929 8.368 1.00 0.00 N ATOM 1256 CA ARG C 83 54.785 -2.109 9.603 1.00 0.00 C ATOM 1257 C ARG C 83 53.662 -1.083 9.412 1.00 0.00 C ATOM 1258 O ARG C 83 52.803 -0.927 10.257 1.00 0.00 O ATOM 1259 CB ARG C 83 56.126 -1.401 9.802 1.00 0.00 C ATOM 1260 CG ARG C 83 57.258 -2.429 9.773 1.00 0.00 C ATOM 1261 CD ARG C 83 58.389 -1.972 10.696 1.00 0.00 C ATOM 1262 NE ARG C 83 58.966 -0.770 10.032 1.00 0.00 N ATOM 1263 CZ ARG C 83 58.588 0.423 10.398 1.00 0.00 C ATOM 1264 NH1 ARG C 83 58.873 0.860 11.594 1.00 0.00 N ATOM 1265 NH2 ARG C 83 57.925 1.179 9.567 1.00 0.00 N ATOM 0 H ARG C 83 55.880 -2.869 7.933 1.00 0.00 H new ATOM 0 HA ARG C 83 54.512 -2.719 10.464 1.00 0.00 H new ATOM 0 HB2 ARG C 83 56.276 -0.658 9.019 1.00 0.00 H new ATOM 0 HB3 ARG C 83 56.130 -0.868 10.753 1.00 0.00 H new ATOM 0 HG2 ARG C 83 56.887 -3.403 10.091 1.00 0.00 H new ATOM 0 HG3 ARG C 83 57.630 -2.546 8.755 1.00 0.00 H new ATOM 0 HD2 ARG C 83 58.014 -1.732 11.691 1.00 0.00 H new ATOM 0 HD3 ARG C 83 59.139 -2.754 10.818 1.00 0.00 H new ATOM 0 HE ARG C 83 59.657 -0.880 9.290 1.00 0.00 H new ATOM 0 HH11 ARG C 83 59.392 0.268 12.243 1.00 0.00 H new ATOM 0 HH12 ARG C 83 58.577 1.793 11.880 1.00 0.00 H new ATOM 0 HH21 ARG C 83 57.703 0.837 8.632 1.00 0.00 H new ATOM 0 HH22 ARG C 83 57.629 2.112 9.852 1.00 0.00 H new ATOM 1279 N CYS C 84 53.666 -0.376 8.314 1.00 0.00 N ATOM 1280 CA CYS C 84 52.603 0.644 8.081 1.00 0.00 C ATOM 1281 C CYS C 84 51.456 0.053 7.256 1.00 0.00 C ATOM 1282 O CYS C 84 51.183 0.489 6.155 1.00 0.00 O ATOM 1283 CB CYS C 84 53.294 1.766 7.306 1.00 0.00 C ATOM 1284 SG CYS C 84 53.807 1.150 5.684 1.00 0.00 S ATOM 0 H CYS C 84 54.358 -0.460 7.569 1.00 0.00 H new ATOM 0 HA CYS C 84 52.166 0.997 9.015 1.00 0.00 H new ATOM 0 HB2 CYS C 84 52.617 2.612 7.188 1.00 0.00 H new ATOM 0 HB3 CYS C 84 54.160 2.126 7.861 1.00 0.00 H new ATOM 0 HG CYS C 84 52.789 0.609 5.083 1.00 0.00 H new ATOM 1290 N MET C 85 50.778 -0.931 7.780 1.00 0.00 N ATOM 1291 CA MET C 85 49.645 -1.539 7.025 1.00 0.00 C ATOM 1292 C MET C 85 48.386 -1.569 7.896 1.00 0.00 C ATOM 1293 O MET C 85 47.758 -2.596 8.060 1.00 0.00 O ATOM 1294 CB MET C 85 50.102 -2.960 6.693 1.00 0.00 C ATOM 1295 CG MET C 85 51.118 -2.914 5.552 1.00 0.00 C ATOM 1296 SD MET C 85 50.521 -3.919 4.171 1.00 0.00 S ATOM 1297 CE MET C 85 51.160 -5.508 4.757 1.00 0.00 C ATOM 0 H MET C 85 50.959 -1.340 8.697 1.00 0.00 H new ATOM 0 HA MET C 85 49.398 -0.973 6.127 1.00 0.00 H new ATOM 0 HB2 MET C 85 50.547 -3.425 7.572 1.00 0.00 H new ATOM 0 HB3 MET C 85 49.246 -3.572 6.408 1.00 0.00 H new ATOM 0 HG2 MET C 85 51.270 -1.885 5.227 1.00 0.00 H new ATOM 0 HG3 MET C 85 52.083 -3.286 5.895 1.00 0.00 H new ATOM 0 HE1 MET C 85 50.534 -6.315 4.376 1.00 0.00 H new ATOM 0 HE2 MET C 85 52.181 -5.643 4.401 1.00 0.00 H new ATOM 0 HE3 MET C 85 51.150 -5.524 5.847 1.00 0.00 H new ATOM 1307 N LYS C 86 48.015 -0.451 8.456 1.00 0.00 N ATOM 1308 CA LYS C 86 46.798 -0.415 9.318 1.00 0.00 C ATOM 1309 C LYS C 86 45.553 -0.145 8.469 1.00 0.00 C ATOM 1310 O LYS C 86 45.410 0.907 7.878 1.00 0.00 O ATOM 1311 CB LYS C 86 47.040 0.737 10.293 1.00 0.00 C ATOM 1312 CG LYS C 86 45.929 0.761 11.344 1.00 0.00 C ATOM 1313 CD LYS C 86 46.547 0.735 12.743 1.00 0.00 C ATOM 1314 CE LYS C 86 45.436 0.731 13.793 1.00 0.00 C ATOM 1315 NZ LYS C 86 45.272 2.158 14.185 1.00 0.00 N ATOM 0 H LYS C 86 48.501 0.440 8.355 1.00 0.00 H new ATOM 0 HA LYS C 86 46.630 -1.360 9.834 1.00 0.00 H new ATOM 0 HB2 LYS C 86 48.010 0.620 10.777 1.00 0.00 H new ATOM 0 HB3 LYS C 86 47.065 1.684 9.754 1.00 0.00 H new ATOM 0 HG2 LYS C 86 45.318 1.655 11.222 1.00 0.00 H new ATOM 0 HG3 LYS C 86 45.269 -0.096 11.211 1.00 0.00 H new ATOM 0 HD2 LYS C 86 47.174 -0.149 12.859 1.00 0.00 H new ATOM 0 HD3 LYS C 86 47.191 1.603 12.883 1.00 0.00 H new ATOM 0 HE2 LYS C 86 44.510 0.324 13.386 1.00 0.00 H new ATOM 0 HE3 LYS C 86 45.705 0.114 14.651 1.00 0.00 H new ATOM 0 HZ1 LYS C 86 44.525 2.237 14.904 1.00 0.00 H new ATOM 0 HZ2 LYS C 86 46.167 2.516 14.575 1.00 0.00 H new ATOM 0 HZ3 LYS C 86 45.009 2.719 13.350 1.00 0.00 H new ATOM 1329 N ASP C 87 44.651 -1.085 8.404 1.00 0.00 N ATOM 1330 CA ASP C 87 43.416 -0.878 7.594 1.00 0.00 C ATOM 1331 C ASP C 87 42.412 -0.023 8.372 1.00 0.00 C ATOM 1332 O ASP C 87 42.456 0.056 9.584 1.00 0.00 O ATOM 1333 CB ASP C 87 42.857 -2.282 7.361 1.00 0.00 C ATOM 1334 CG ASP C 87 41.921 -2.265 6.151 1.00 0.00 C ATOM 1335 OD1 ASP C 87 41.722 -1.197 5.596 1.00 0.00 O ATOM 1336 OD2 ASP C 87 41.420 -3.321 5.801 1.00 0.00 O ATOM 0 H ASP C 87 44.715 -1.987 8.876 1.00 0.00 H new ATOM 0 HA ASP C 87 43.617 -0.358 6.657 1.00 0.00 H new ATOM 0 HB2 ASP C 87 43.672 -2.986 7.194 1.00 0.00 H new ATOM 0 HB3 ASP C 87 42.319 -2.622 8.246 1.00 0.00 H new ATOM 1341 N ASP C 88 41.507 0.620 7.685 1.00 0.00 N ATOM 1342 CA ASP C 88 40.502 1.471 8.387 1.00 0.00 C ATOM 1343 C ASP C 88 39.122 1.304 7.743 1.00 0.00 C ATOM 1344 O ASP C 88 38.875 1.782 6.654 1.00 0.00 O ATOM 1345 CB ASP C 88 41.006 2.903 8.211 1.00 0.00 C ATOM 1346 CG ASP C 88 41.030 3.259 6.723 1.00 0.00 C ATOM 1347 OD1 ASP C 88 41.680 2.548 5.974 1.00 0.00 O ATOM 1348 OD2 ASP C 88 40.396 4.235 6.358 1.00 0.00 O ATOM 0 H ASP C 88 41.420 0.593 6.669 1.00 0.00 H new ATOM 0 HA ASP C 88 40.395 1.202 9.438 1.00 0.00 H new ATOM 0 HB2 ASP C 88 40.360 3.596 8.751 1.00 0.00 H new ATOM 0 HB3 ASP C 88 42.005 3.002 8.635 1.00 0.00 H new ATOM 1353 N SER C 89 38.223 0.630 8.408 1.00 0.00 N ATOM 1354 CA SER C 89 36.861 0.435 7.832 1.00 0.00 C ATOM 1355 C SER C 89 35.983 1.656 8.127 1.00 0.00 C ATOM 1356 O SER C 89 35.106 1.540 8.967 1.00 0.00 O ATOM 1357 CB SER C 89 36.301 -0.805 8.530 1.00 0.00 C ATOM 1358 OG SER C 89 37.328 -1.425 9.295 1.00 0.00 O ATOM 1359 OXT SER C 89 36.205 2.684 7.508 1.00 0.00 O ATOM 0 H SER C 89 38.372 0.206 9.324 1.00 0.00 H new ATOM 0 HA SER C 89 36.888 0.313 6.749 1.00 0.00 H new ATOM 0 HB2 SER C 89 35.469 -0.526 9.177 1.00 0.00 H new ATOM 0 HB3 SER C 89 35.910 -1.505 7.792 1.00 0.00 H new ATOM 0 HG SER C 89 36.968 -2.219 9.743 1.00 0.00 H new TER 1365 SER C 89 ATOM 1366 N ARG I 1 55.284 7.416 7.078 1.00 0.00 N ATOM 1367 CA ARG I 1 55.341 8.517 6.073 1.00 0.00 C ATOM 1368 C ARG I 1 54.998 7.980 4.681 1.00 0.00 C ATOM 1369 O ARG I 1 54.739 8.730 3.761 1.00 0.00 O ATOM 1370 CB ARG I 1 56.787 9.012 6.112 1.00 0.00 C ATOM 1371 CG ARG I 1 56.845 10.376 6.801 1.00 0.00 C ATOM 1372 CD ARG I 1 58.305 10.751 7.059 1.00 0.00 C ATOM 1373 NE ARG I 1 58.271 11.631 8.260 1.00 0.00 N ATOM 1374 CZ ARG I 1 59.019 12.699 8.308 1.00 0.00 C ATOM 1375 NH1 ARG I 1 60.075 12.789 7.546 1.00 0.00 N ATOM 1376 NH2 ARG I 1 58.712 13.675 9.118 1.00 0.00 N ATOM 0 H1 ARG I 1 55.401 7.811 8.033 1.00 0.00 H new ATOM 0 H2 ARG I 1 54.365 6.934 7.013 1.00 0.00 H new ATOM 0 H3 ARG I 1 56.046 6.734 6.890 1.00 0.00 H new ATOM 0 HA ARG I 1 54.630 9.313 6.292 1.00 0.00 H new ATOM 0 HB2 ARG I 1 57.412 8.297 6.646 1.00 0.00 H new ATOM 0 HB3 ARG I 1 57.183 9.088 5.099 1.00 0.00 H new ATOM 0 HG2 ARG I 1 56.368 11.132 6.177 1.00 0.00 H new ATOM 0 HG3 ARG I 1 56.294 10.345 7.741 1.00 0.00 H new ATOM 0 HD2 ARG I 1 58.915 9.865 7.236 1.00 0.00 H new ATOM 0 HD3 ARG I 1 58.737 11.269 6.202 1.00 0.00 H new ATOM 0 HE ARG I 1 57.663 11.399 9.045 1.00 0.00 H new ATOM 0 HH11 ARG I 1 60.315 12.025 6.914 1.00 0.00 H new ATOM 0 HH12 ARG I 1 60.661 13.623 7.582 1.00 0.00 H new ATOM 0 HH21 ARG I 1 57.887 13.603 9.714 1.00 0.00 H new ATOM 0 HH22 ARG I 1 59.297 14.510 9.155 1.00 0.00 H new ATOM 1392 N ILE I 2 55.000 6.686 4.522 1.00 0.00 N ATOM 1393 CA ILE I 2 54.679 6.094 3.191 1.00 0.00 C ATOM 1394 C ILE I 2 53.563 5.057 3.330 1.00 0.00 C ATOM 1395 O ILE I 2 53.666 3.950 2.839 1.00 0.00 O ATOM 1396 CB ILE I 2 55.976 5.428 2.733 1.00 0.00 C ATOM 1397 CG1 ILE I 2 56.595 4.656 3.902 1.00 0.00 C ATOM 1398 CG2 ILE I 2 56.958 6.499 2.255 1.00 0.00 C ATOM 1399 CD1 ILE I 2 57.863 3.942 3.433 1.00 0.00 C ATOM 0 H ILE I 2 55.210 6.011 5.257 1.00 0.00 H new ATOM 0 HA ILE I 2 54.330 6.841 2.478 1.00 0.00 H new ATOM 0 HB ILE I 2 55.761 4.740 1.916 1.00 0.00 H new ATOM 0 HG12 ILE I 2 56.831 5.340 4.718 1.00 0.00 H new ATOM 0 HG13 ILE I 2 55.880 3.931 4.291 1.00 0.00 H new ATOM 0 HG21 ILE I 2 57.883 6.024 1.928 1.00 0.00 H new ATOM 0 HG22 ILE I 2 56.519 7.050 1.423 1.00 0.00 H new ATOM 0 HG23 ILE I 2 57.172 7.187 3.073 1.00 0.00 H new ATOM 0 HD11 ILE I 2 58.301 3.394 4.267 1.00 0.00 H new ATOM 0 HD12 ILE I 2 57.614 3.246 2.632 1.00 0.00 H new ATOM 0 HD13 ILE I 2 58.579 4.677 3.065 1.00 0.00 H new ATOM 1411 N SER I 3 52.497 5.405 3.997 1.00 0.00 N ATOM 1412 CA SER I 3 51.375 4.440 4.170 1.00 0.00 C ATOM 1413 C SER I 3 51.005 3.809 2.825 1.00 0.00 C ATOM 1414 O SER I 3 51.287 2.655 2.572 1.00 0.00 O ATOM 1415 CB SER I 3 50.215 5.275 4.708 1.00 0.00 C ATOM 1416 OG SER I 3 50.338 5.389 6.119 1.00 0.00 O ATOM 0 H SER I 3 52.355 6.317 4.430 1.00 0.00 H new ATOM 0 HA SER I 3 51.635 3.622 4.842 1.00 0.00 H new ATOM 0 HB2 SER I 3 50.219 6.264 4.249 1.00 0.00 H new ATOM 0 HB3 SER I 3 49.264 4.808 4.450 1.00 0.00 H new ATOM 0 HG SER I 3 49.597 5.926 6.470 1.00 0.00 H new ATOM 1422 N ALA I 4 50.374 4.557 1.961 1.00 0.00 N ATOM 1423 CA ALA I 4 49.987 3.996 0.635 1.00 0.00 C ATOM 1424 C ALA I 4 49.202 5.034 -0.173 1.00 0.00 C ATOM 1425 O ALA I 4 49.316 5.112 -1.380 1.00 0.00 O ATOM 1426 CB ALA I 4 49.105 2.789 0.960 1.00 0.00 C ATOM 0 H ALA I 4 50.110 5.530 2.115 1.00 0.00 H new ATOM 0 HA ALA I 4 50.854 3.719 0.035 1.00 0.00 H new ATOM 0 HB1 ALA I 4 48.777 2.318 0.033 1.00 0.00 H new ATOM 0 HB2 ALA I 4 49.674 2.071 1.550 1.00 0.00 H new ATOM 0 HB3 ALA I 4 48.234 3.117 1.528 1.00 0.00 H new ATOM 1432 N ASP I 5 48.403 5.830 0.484 1.00 0.00 N ATOM 1433 CA ASP I 5 47.609 6.860 -0.246 1.00 0.00 C ATOM 1434 C ASP I 5 48.539 7.844 -0.961 1.00 0.00 C ATOM 1435 O ASP I 5 48.406 8.093 -2.143 1.00 0.00 O ATOM 1436 CB ASP I 5 46.799 7.575 0.836 1.00 0.00 C ATOM 1437 CG ASP I 5 45.393 7.867 0.311 1.00 0.00 C ATOM 1438 OD1 ASP I 5 45.231 8.869 -0.366 1.00 0.00 O ATOM 1439 OD2 ASP I 5 44.502 7.084 0.593 1.00 0.00 O ATOM 0 H ASP I 5 48.265 5.812 1.495 1.00 0.00 H new ATOM 0 HA ASP I 5 46.970 6.420 -1.011 1.00 0.00 H new ATOM 0 HB2 ASP I 5 46.743 6.956 1.732 1.00 0.00 H new ATOM 0 HB3 ASP I 5 47.293 8.504 1.121 1.00 0.00 H new ATOM 1444 N ALA I 6 49.478 8.410 -0.253 1.00 0.00 N ATOM 1445 CA ALA I 6 50.412 9.379 -0.895 1.00 0.00 C ATOM 1446 C ALA I 6 51.503 8.635 -1.671 1.00 0.00 C ATOM 1447 O ALA I 6 51.724 8.881 -2.839 1.00 0.00 O ATOM 1448 CB ALA I 6 51.019 10.168 0.266 1.00 0.00 C ATOM 0 H ALA I 6 49.639 8.244 0.740 1.00 0.00 H new ATOM 0 HA ALA I 6 49.906 10.028 -1.610 1.00 0.00 H new ATOM 0 HB1 ALA I 6 51.721 10.906 -0.123 1.00 0.00 H new ATOM 0 HB2 ALA I 6 50.226 10.676 0.815 1.00 0.00 H new ATOM 0 HB3 ALA I 6 51.543 9.486 0.935 1.00 0.00 H new ATOM 1454 N MET I 7 52.189 7.729 -1.030 1.00 0.00 N ATOM 1455 CA MET I 7 53.265 6.974 -1.735 1.00 0.00 C ATOM 1456 C MET I 7 52.786 6.520 -3.117 1.00 0.00 C ATOM 1457 O MET I 7 53.538 6.502 -4.070 1.00 0.00 O ATOM 1458 CB MET I 7 53.550 5.762 -0.846 1.00 0.00 C ATOM 1459 CG MET I 7 55.056 5.499 -0.806 1.00 0.00 C ATOM 1460 SD MET I 7 55.406 3.873 -1.521 1.00 0.00 S ATOM 1461 CE MET I 7 55.965 4.450 -3.141 1.00 0.00 C ATOM 0 H MET I 7 52.052 7.479 -0.051 1.00 0.00 H new ATOM 0 HA MET I 7 54.154 7.585 -1.894 1.00 0.00 H new ATOM 0 HB2 MET I 7 53.175 5.941 0.162 1.00 0.00 H new ATOM 0 HB3 MET I 7 53.027 4.886 -1.230 1.00 0.00 H new ATOM 0 HG2 MET I 7 55.586 6.273 -1.361 1.00 0.00 H new ATOM 0 HG3 MET I 7 55.416 5.541 0.222 1.00 0.00 H new ATOM 0 HE1 MET I 7 55.999 3.610 -3.835 1.00 0.00 H new ATOM 0 HE2 MET I 7 55.273 5.204 -3.517 1.00 0.00 H new ATOM 0 HE3 MET I 7 56.960 4.885 -3.049 1.00 0.00 H new ATOM 1471 N MET I 8 51.541 6.148 -3.233 1.00 0.00 N ATOM 1472 CA MET I 8 51.023 5.689 -4.555 1.00 0.00 C ATOM 1473 C MET I 8 50.557 6.881 -5.398 1.00 0.00 C ATOM 1474 O MET I 8 50.756 6.918 -6.597 1.00 0.00 O ATOM 1475 CB MET I 8 49.846 4.775 -4.219 1.00 0.00 C ATOM 1476 CG MET I 8 50.341 3.594 -3.381 1.00 0.00 C ATOM 1477 SD MET I 8 51.540 2.636 -4.339 1.00 0.00 S ATOM 1478 CE MET I 8 53.024 3.505 -3.778 1.00 0.00 C ATOM 0 H MET I 8 50.861 6.142 -2.473 1.00 0.00 H new ATOM 0 HA MET I 8 51.788 5.177 -5.139 1.00 0.00 H new ATOM 0 HB2 MET I 8 49.085 5.330 -3.671 1.00 0.00 H new ATOM 0 HB3 MET I 8 49.379 4.414 -5.135 1.00 0.00 H new ATOM 0 HG2 MET I 8 50.800 3.954 -2.460 1.00 0.00 H new ATOM 0 HG3 MET I 8 49.501 2.962 -3.092 1.00 0.00 H new ATOM 0 HE1 MET I 8 53.842 2.793 -3.666 1.00 0.00 H new ATOM 0 HE2 MET I 8 53.300 4.263 -4.511 1.00 0.00 H new ATOM 0 HE3 MET I 8 52.825 3.983 -2.819 1.00 0.00 H new ATOM 1488 N GLN I 9 49.933 7.851 -4.787 1.00 0.00 N ATOM 1489 CA GLN I 9 49.449 9.031 -5.563 1.00 0.00 C ATOM 1490 C GLN I 9 50.593 10.020 -5.821 1.00 0.00 C ATOM 1491 O GLN I 9 50.641 10.669 -6.846 1.00 0.00 O ATOM 1492 CB GLN I 9 48.377 9.672 -4.680 1.00 0.00 C ATOM 1493 CG GLN I 9 47.892 10.972 -5.326 1.00 0.00 C ATOM 1494 CD GLN I 9 48.268 12.155 -4.433 1.00 0.00 C ATOM 1495 OE1 GLN I 9 47.670 12.364 -3.396 1.00 0.00 O ATOM 1496 NE2 GLN I 9 49.242 12.945 -4.794 1.00 0.00 N ATOM 0 H GLN I 9 49.737 7.879 -3.786 1.00 0.00 H new ATOM 0 HA GLN I 9 49.061 8.743 -6.540 1.00 0.00 H new ATOM 0 HB2 GLN I 9 47.541 8.985 -4.548 1.00 0.00 H new ATOM 0 HB3 GLN I 9 48.782 9.875 -3.688 1.00 0.00 H new ATOM 0 HG2 GLN I 9 48.340 11.090 -6.312 1.00 0.00 H new ATOM 0 HG3 GLN I 9 46.812 10.939 -5.469 1.00 0.00 H new ATOM 0 HE21 GLN I 9 49.744 12.770 -5.664 1.00 0.00 H new ATOM 0 HE22 GLN I 9 49.501 13.737 -4.206 1.00 0.00 H new ATOM 1505 N ALA I 10 51.510 10.141 -4.901 1.00 0.00 N ATOM 1506 CA ALA I 10 52.643 11.094 -5.099 1.00 0.00 C ATOM 1507 C ALA I 10 53.738 10.458 -5.959 1.00 0.00 C ATOM 1508 O ALA I 10 54.525 11.141 -6.583 1.00 0.00 O ATOM 1509 CB ALA I 10 53.175 11.377 -3.693 1.00 0.00 C ATOM 0 H ALA I 10 51.526 9.623 -4.022 1.00 0.00 H new ATOM 0 HA ALA I 10 52.325 12.002 -5.611 1.00 0.00 H new ATOM 0 HB1 ALA I 10 54.012 12.072 -3.754 1.00 0.00 H new ATOM 0 HB2 ALA I 10 52.383 11.815 -3.086 1.00 0.00 H new ATOM 0 HB3 ALA I 10 53.509 10.445 -3.236 1.00 0.00 H new ATOM 1515 N LEU I 11 53.802 9.156 -5.988 1.00 0.00 N ATOM 1516 CA LEU I 11 54.857 8.478 -6.796 1.00 0.00 C ATOM 1517 C LEU I 11 54.243 7.784 -8.014 1.00 0.00 C ATOM 1518 O LEU I 11 54.356 8.251 -9.130 1.00 0.00 O ATOM 1519 CB LEU I 11 55.463 7.450 -5.845 1.00 0.00 C ATOM 1520 CG LEU I 11 56.983 7.556 -5.865 1.00 0.00 C ATOM 1521 CD1 LEU I 11 57.561 6.533 -4.886 1.00 0.00 C ATOM 1522 CD2 LEU I 11 57.502 7.269 -7.276 1.00 0.00 C ATOM 0 H LEU I 11 53.170 8.531 -5.488 1.00 0.00 H new ATOM 0 HA LEU I 11 55.598 9.179 -7.180 1.00 0.00 H new ATOM 0 HB2 LEU I 11 55.092 7.615 -4.833 1.00 0.00 H new ATOM 0 HB3 LEU I 11 55.156 6.446 -6.138 1.00 0.00 H new ATOM 0 HG LEU I 11 57.287 8.561 -5.573 1.00 0.00 H new ATOM 0 HD11 LEU I 11 58.649 6.599 -4.891 1.00 0.00 H new ATOM 0 HD12 LEU I 11 57.190 6.740 -3.882 1.00 0.00 H new ATOM 0 HD13 LEU I 11 57.257 5.530 -5.186 1.00 0.00 H new ATOM 0 HD21 LEU I 11 58.589 7.346 -7.286 1.00 0.00 H new ATOM 0 HD22 LEU I 11 57.206 6.263 -7.575 1.00 0.00 H new ATOM 0 HD23 LEU I 11 57.081 7.993 -7.973 1.00 0.00 H new ATOM 1534 N LEU I 12 53.595 6.668 -7.810 1.00 0.00 N ATOM 1535 CA LEU I 12 52.980 5.946 -8.957 1.00 0.00 C ATOM 1536 C LEU I 12 51.472 6.230 -9.004 1.00 0.00 C ATOM 1537 O LEU I 12 51.048 7.366 -8.930 1.00 0.00 O ATOM 1538 CB LEU I 12 53.251 4.460 -8.684 1.00 0.00 C ATOM 1539 CG LEU I 12 54.761 4.191 -8.534 1.00 0.00 C ATOM 1540 CD1 LEU I 12 55.579 5.188 -9.365 1.00 0.00 C ATOM 1541 CD2 LEU I 12 55.159 4.314 -7.061 1.00 0.00 C ATOM 0 H LEU I 12 53.466 6.227 -6.899 1.00 0.00 H new ATOM 0 HA LEU I 12 53.391 6.258 -9.917 1.00 0.00 H new ATOM 0 HB2 LEU I 12 52.732 4.153 -7.776 1.00 0.00 H new ATOM 0 HB3 LEU I 12 52.850 3.858 -9.500 1.00 0.00 H new ATOM 0 HG LEU I 12 54.969 3.183 -8.894 1.00 0.00 H new ATOM 0 HD11 LEU I 12 56.642 4.978 -9.243 1.00 0.00 H new ATOM 0 HD12 LEU I 12 55.309 5.093 -10.417 1.00 0.00 H new ATOM 0 HD13 LEU I 12 55.369 6.203 -9.027 1.00 0.00 H new ATOM 0 HD21 LEU I 12 56.227 4.124 -6.956 1.00 0.00 H new ATOM 0 HD22 LEU I 12 54.933 5.319 -6.706 1.00 0.00 H new ATOM 0 HD23 LEU I 12 54.601 3.587 -6.471 1.00 0.00 H new ATOM 1553 N GLY I 13 50.660 5.214 -9.126 1.00 0.00 N ATOM 1554 CA GLY I 13 49.188 5.446 -9.175 1.00 0.00 C ATOM 1555 C GLY I 13 48.646 4.997 -10.532 1.00 0.00 C ATOM 1556 O GLY I 13 48.986 3.942 -11.029 1.00 0.00 O ATOM 0 H GLY I 13 50.951 4.239 -9.193 1.00 0.00 H new ATOM 0 HA2 GLY I 13 48.695 4.895 -8.374 1.00 0.00 H new ATOM 0 HA3 GLY I 13 48.970 6.502 -9.016 1.00 0.00 H new ATOM 1560 N ALA I 14 47.805 5.790 -11.137 1.00 0.00 N ATOM 1561 CA ALA I 14 47.243 5.408 -12.463 1.00 0.00 C ATOM 1562 C ALA I 14 48.180 5.866 -13.582 1.00 0.00 C ATOM 1563 O ALA I 14 49.317 6.227 -13.346 1.00 0.00 O ATOM 1564 CB ALA I 14 45.902 6.138 -12.552 1.00 0.00 C ATOM 0 H ALA I 14 47.483 6.686 -10.771 1.00 0.00 H new ATOM 0 HA ALA I 14 47.125 4.329 -12.568 1.00 0.00 H new ATOM 0 HB1 ALA I 14 45.424 5.907 -13.504 1.00 0.00 H new ATOM 0 HB2 ALA I 14 45.257 5.815 -11.735 1.00 0.00 H new ATOM 0 HB3 ALA I 14 46.068 7.213 -12.481 1.00 0.00 H new ATOM 1570 N ARG I 15 47.715 5.854 -14.801 1.00 0.00 N ATOM 1571 CA ARG I 15 48.581 6.289 -15.935 1.00 0.00 C ATOM 1572 C ARG I 15 47.860 7.343 -16.777 1.00 0.00 C ATOM 1573 O ARG I 15 47.233 7.035 -17.771 1.00 0.00 O ATOM 1574 CB ARG I 15 48.825 5.021 -16.755 1.00 0.00 C ATOM 1575 CG ARG I 15 49.716 5.353 -17.955 1.00 0.00 C ATOM 1576 CD ARG I 15 50.110 4.059 -18.672 1.00 0.00 C ATOM 1577 NE ARG I 15 51.471 3.734 -18.163 1.00 0.00 N ATOM 1578 CZ ARG I 15 52.487 3.711 -18.982 1.00 0.00 C ATOM 1579 NH1 ARG I 15 52.681 2.676 -19.754 1.00 0.00 N ATOM 1580 NH2 ARG I 15 53.311 4.723 -19.028 1.00 0.00 N ATOM 0 H ARG I 15 46.773 5.562 -15.062 1.00 0.00 H new ATOM 0 HA ARG I 15 49.513 6.740 -15.594 1.00 0.00 H new ATOM 0 HB2 ARG I 15 49.300 4.260 -16.135 1.00 0.00 H new ATOM 0 HB3 ARG I 15 47.876 4.608 -17.096 1.00 0.00 H new ATOM 0 HG2 ARG I 15 49.188 6.015 -18.641 1.00 0.00 H new ATOM 0 HG3 ARG I 15 50.608 5.884 -17.623 1.00 0.00 H new ATOM 0 HD2 ARG I 15 49.405 3.257 -18.454 1.00 0.00 H new ATOM 0 HD3 ARG I 15 50.115 4.193 -19.754 1.00 0.00 H new ATOM 0 HE ARG I 15 51.609 3.529 -17.173 1.00 0.00 H new ATOM 0 HH11 ARG I 15 52.038 1.885 -19.717 1.00 0.00 H new ATOM 0 HH12 ARG I 15 53.475 2.659 -20.394 1.00 0.00 H new ATOM 0 HH21 ARG I 15 53.161 5.531 -18.424 1.00 0.00 H new ATOM 0 HH22 ARG I 15 54.105 4.705 -19.668 1.00 0.00 H new ATOM 1594 N ALA I 16 47.941 8.587 -16.388 1.00 0.00 N ATOM 1595 CA ALA I 16 47.259 9.659 -17.167 1.00 0.00 C ATOM 1596 C ALA I 16 45.789 9.294 -17.394 1.00 0.00 C ATOM 1597 O ALA I 16 45.321 9.231 -18.513 1.00 0.00 O ATOM 1598 CB ALA I 16 48.006 9.720 -18.500 1.00 0.00 C ATOM 0 H ALA I 16 48.450 8.907 -15.564 1.00 0.00 H new ATOM 0 HA ALA I 16 47.273 10.617 -16.648 1.00 0.00 H new ATOM 0 HB1 ALA I 16 47.561 10.489 -19.132 1.00 0.00 H new ATOM 0 HB2 ALA I 16 49.054 9.960 -18.319 1.00 0.00 H new ATOM 0 HB3 ALA I 16 47.936 8.754 -19.001 1.00 0.00 H new ATOM 1604 N LYS I 17 45.058 9.055 -16.340 1.00 0.00 N ATOM 1605 CA LYS I 17 43.619 8.695 -16.496 1.00 0.00 C ATOM 1606 C LYS I 17 42.747 9.628 -15.652 1.00 0.00 C ATOM 1607 O LYS I 17 41.801 9.143 -15.054 1.00 0.00 O ATOM 1608 CB LYS I 17 43.513 7.257 -15.987 1.00 0.00 C ATOM 1609 CG LYS I 17 43.602 6.289 -17.168 1.00 0.00 C ATOM 1610 CD LYS I 17 42.350 5.409 -17.203 1.00 0.00 C ATOM 1611 CE LYS I 17 41.658 5.558 -18.560 1.00 0.00 C ATOM 1612 NZ LYS I 17 42.546 4.858 -19.532 1.00 0.00 N ATOM 1613 OXT LYS I 17 43.039 10.812 -15.620 1.00 0.00 O ATOM 0 H LYS I 17 45.394 9.093 -15.378 1.00 0.00 H new ATOM 0 HA LYS I 17 43.279 8.788 -17.527 1.00 0.00 H new ATOM 0 HB2 LYS I 17 44.312 7.052 -15.275 1.00 0.00 H new ATOM 0 HB3 LYS I 17 42.571 7.116 -15.458 1.00 0.00 H new ATOM 0 HG2 LYS I 17 43.695 6.845 -18.101 1.00 0.00 H new ATOM 0 HG3 LYS I 17 44.493 5.668 -17.077 1.00 0.00 H new ATOM 0 HD2 LYS I 17 42.620 4.367 -17.033 1.00 0.00 H new ATOM 0 HD3 LYS I 17 41.669 5.696 -16.402 1.00 0.00 H new ATOM 0 HE2 LYS I 17 40.663 5.113 -18.545 1.00 0.00 H new ATOM 0 HE3 LYS I 17 41.534 6.608 -18.825 1.00 0.00 H new ATOM 0 HZ1 LYS I 17 42.029 4.695 -20.420 1.00 0.00 H new ATOM 0 HZ2 LYS I 17 43.384 5.444 -19.722 1.00 0.00 H new ATOM 0 HZ3 LYS I 17 42.845 3.945 -19.134 1.00 0.00 H new TER 1627 LYS I 17 HETATM 1628 CA CA C 90 70.740 -4.550 4.151 1.00 0.00 CA