USER MOD reduce.3.24.130724 H: found=0, std=0, add=808, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 811 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: C 81 MET CE :methyl -160:sc= -0.044 (180deg=-0.0369) USER MOD Set 1.2: I 121 MET CE :methyl 152:sc= -0.433 (180deg=-1.97) USER MOD Set 2.1: C 69 SER OG : rot -120:sc= 0.176 USER MOD Set 2.2: C 71 THR OG1 : rot -160:sc= -0.887 USER MOD Single : C 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : C 1 MET N :NH3+ -124:sc= 0.136 (180deg=-0.212) USER MOD Single : C 5 TYR OH : rot 180:sc= 0 USER MOD Single : C 6 LYS NZ :NH3+ 158:sc= -0.121 (180deg=-0.75) USER MOD Single : C 11 GLN :FLIP amide:sc= 0 F(o=-1.1!,f=0) USER MOD Single : C 13 THR OG1 : rot 180:sc= -0.455 USER MOD Single : C 16 GLN : amide:sc= -0.113 X(o=-0.11,f=-0.54) USER MOD Single : C 17 LYS NZ :NH3+ 146:sc= -0.274 (180deg=-1.57!) USER MOD Single : C 18 ASN : amide:sc= -7.53! C(o=-7.5!,f=-8.7!) USER MOD Single : C 21 LYS NZ :NH3+ -168:sc= -0.396 (180deg=-0.948!) USER MOD Single : C 35 CYS SG : rot -79:sc= 0.0382 USER MOD Single : C 37 SER OG : rot -59:sc= 0.0458 USER MOD Single : C 38 THR OG1 : rot -85:sc= -0.0547! USER MOD Single : C 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 45 MET CE :methyl -177:sc= -1.14 (180deg=-1.17) USER MOD Single : C 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : C 50 GLN :FLIP amide:sc= 0 F(o=-1.2!,f=0) USER MOD Single : C 51 ASN :FLIP amide:sc= -0.974 F(o=-1.5,f=-0.97) USER MOD Single : C 53 THR OG1 : rot 180:sc= 0.104 USER MOD Single : C 58 GLN : amide:sc=-0.00909 K(o=-0.0091,f=-1.5!) USER MOD Single : C 60 MET CE :methyl -177:sc= -0.0144 (180deg=-0.0532) USER MOD Single : C 80 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : C 84 CYS SG : rot 180:sc= 0 USER MOD Single : C 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : C 86 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0874) USER MOD Single : C 89 SER OG : rot 180:sc= 0 USER MOD Single : I 116 MET CE :methyl 159:sc= -1.04 (180deg=-2.67!) USER MOD Single : I 117 SER OG : rot 180:sc= 0 USER MOD Single : I 123 LYS NZ :NH3+ -111:sc= -2.6! (180deg=-5.54!) USER MOD Single : I 128 SER OG : rot 180:sc= 0 USER MOD Single : I 129 LYS NZ :NH3+ -136:sc= 0 (180deg=-0.0746) USER MOD Single : I 130 HIS : no HE2:sc= -0.0587 K(o=-0.059,f=-2.3!) USER MOD Single : I 131 LYS NZ :NH3+ -163:sc= -0.0455 (180deg=-0.567) USER MOD ----------------------------------------------------------------- ATOM 1 N MET C 1 57.189 -13.868 22.109 1.00 0.00 N ATOM 2 CA MET C 1 56.658 -13.039 20.991 1.00 0.00 C ATOM 3 C MET C 1 56.629 -13.871 19.714 1.00 0.00 C ATOM 4 O MET C 1 56.910 -15.069 19.735 1.00 0.00 O ATOM 5 CB MET C 1 57.556 -11.815 20.797 1.00 0.00 C ATOM 6 CG MET C 1 57.425 -10.888 22.007 1.00 0.00 C ATOM 7 SD MET C 1 58.355 -9.365 21.704 1.00 0.00 S ATOM 8 CE MET C 1 58.012 -8.570 23.293 1.00 0.00 C ATOM 0 H1 MET C 1 56.501 -13.882 22.888 1.00 0.00 H new ATOM 0 H2 MET C 1 57.352 -14.839 21.774 1.00 0.00 H new ATOM 0 H3 MET C 1 58.085 -13.463 22.446 1.00 0.00 H new ATOM 0 HA MET C 1 55.646 -12.708 21.225 1.00 0.00 H new ATOM 0 HB2 MET C 1 58.593 -12.127 20.676 1.00 0.00 H new ATOM 0 HB3 MET C 1 57.274 -11.285 19.887 1.00 0.00 H new ATOM 0 HG2 MET C 1 56.376 -10.656 22.189 1.00 0.00 H new ATOM 0 HG3 MET C 1 57.801 -11.385 22.901 1.00 0.00 H new ATOM 0 HE1 MET C 1 58.500 -7.596 23.325 1.00 0.00 H new ATOM 0 HE2 MET C 1 56.936 -8.441 23.411 1.00 0.00 H new ATOM 0 HE3 MET C 1 58.393 -9.194 24.102 1.00 0.00 H new ATOM 20 N ASP C 2 56.287 -13.227 18.602 1.00 0.00 N ATOM 21 CA ASP C 2 56.224 -13.919 17.320 1.00 0.00 C ATOM 22 C ASP C 2 56.629 -12.982 16.186 1.00 0.00 C ATOM 23 O ASP C 2 57.229 -11.933 16.419 1.00 0.00 O ATOM 24 CB ASP C 2 54.806 -14.437 17.074 1.00 0.00 C ATOM 25 CG ASP C 2 53.831 -13.268 16.991 1.00 0.00 C ATOM 26 OD1 ASP C 2 54.293 -12.140 16.929 1.00 0.00 O ATOM 27 OD2 ASP C 2 52.637 -13.517 16.992 1.00 0.00 O ATOM 0 H ASP C 2 56.051 -12.235 18.563 1.00 0.00 H new ATOM 0 HA ASP C 2 56.917 -14.760 17.348 1.00 0.00 H new ATOM 0 HB2 ASP C 2 54.776 -15.013 16.149 1.00 0.00 H new ATOM 0 HB3 ASP C 2 54.511 -15.111 17.879 1.00 0.00 H new ATOM 32 N ASP C 3 56.298 -13.369 14.958 1.00 0.00 N ATOM 33 CA ASP C 3 56.633 -12.556 13.795 1.00 0.00 C ATOM 34 C ASP C 3 55.373 -12.185 13.020 1.00 0.00 C ATOM 35 O ASP C 3 54.953 -12.908 12.116 1.00 0.00 O ATOM 36 CB ASP C 3 57.590 -13.322 12.880 1.00 0.00 C ATOM 37 CG ASP C 3 58.585 -14.119 13.717 1.00 0.00 C ATOM 38 OD1 ASP C 3 59.169 -13.539 14.618 1.00 0.00 O ATOM 39 OD2 ASP C 3 58.748 -15.297 13.445 1.00 0.00 O ATOM 0 H ASP C 3 55.802 -14.234 14.744 1.00 0.00 H new ATOM 0 HA ASP C 3 57.116 -11.642 14.141 1.00 0.00 H new ATOM 0 HB2 ASP C 3 57.027 -13.994 12.232 1.00 0.00 H new ATOM 0 HB3 ASP C 3 58.123 -12.626 12.232 1.00 0.00 H new ATOM 44 N ILE C 4 54.773 -11.055 13.380 1.00 0.00 N ATOM 45 CA ILE C 4 53.561 -10.598 12.710 1.00 0.00 C ATOM 46 C ILE C 4 53.899 -9.952 11.371 1.00 0.00 C ATOM 47 O ILE C 4 53.017 -9.705 10.549 1.00 0.00 O ATOM 48 CB ILE C 4 52.825 -9.590 13.594 1.00 0.00 C ATOM 49 CG1 ILE C 4 52.657 -10.172 14.999 1.00 0.00 C ATOM 50 CG2 ILE C 4 51.448 -9.296 12.996 1.00 0.00 C ATOM 51 CD1 ILE C 4 51.956 -11.529 14.909 1.00 0.00 C ATOM 0 H ILE C 4 55.103 -10.443 14.126 1.00 0.00 H new ATOM 0 HA ILE C 4 52.920 -11.461 12.531 1.00 0.00 H new ATOM 0 HB ILE C 4 53.401 -8.666 13.649 1.00 0.00 H new ATOM 0 HG12 ILE C 4 53.630 -10.285 15.476 1.00 0.00 H new ATOM 0 HG13 ILE C 4 52.075 -9.490 15.619 1.00 0.00 H new ATOM 0 HG21 ILE C 4 50.924 -8.578 13.626 1.00 0.00 H new ATOM 0 HG22 ILE C 4 51.567 -8.882 11.995 1.00 0.00 H new ATOM 0 HG23 ILE C 4 50.871 -10.219 12.940 1.00 0.00 H new ATOM 0 HD11 ILE C 4 51.836 -11.944 15.910 1.00 0.00 H new ATOM 0 HD12 ILE C 4 50.976 -11.402 14.449 1.00 0.00 H new ATOM 0 HD13 ILE C 4 52.556 -12.209 14.304 1.00 0.00 H new ATOM 63 N TYR C 5 55.183 -9.682 11.157 1.00 0.00 N ATOM 64 CA TYR C 5 55.627 -9.064 9.913 1.00 0.00 C ATOM 65 C TYR C 5 56.199 -10.116 8.968 1.00 0.00 C ATOM 66 O TYR C 5 55.810 -10.194 7.802 1.00 0.00 O ATOM 67 CB TYR C 5 56.691 -8.005 10.206 1.00 0.00 C ATOM 68 CG TYR C 5 57.565 -8.471 11.346 1.00 0.00 C ATOM 69 CD1 TYR C 5 57.116 -8.353 12.666 1.00 0.00 C ATOM 70 CD2 TYR C 5 58.825 -9.022 11.082 1.00 0.00 C ATOM 71 CE1 TYR C 5 57.926 -8.785 13.723 1.00 0.00 C ATOM 72 CE2 TYR C 5 59.635 -9.455 12.138 1.00 0.00 C ATOM 73 CZ TYR C 5 59.186 -9.336 13.459 1.00 0.00 C ATOM 74 OH TYR C 5 59.985 -9.762 14.500 1.00 0.00 O ATOM 0 H TYR C 5 55.929 -9.880 11.824 1.00 0.00 H new ATOM 0 HA TYR C 5 54.768 -8.592 9.436 1.00 0.00 H new ATOM 0 HB2 TYR C 5 57.297 -7.828 9.318 1.00 0.00 H new ATOM 0 HB3 TYR C 5 56.216 -7.058 10.462 1.00 0.00 H new ATOM 0 HD1 TYR C 5 56.144 -7.928 12.870 1.00 0.00 H new ATOM 0 HD2 TYR C 5 59.172 -9.113 10.063 1.00 0.00 H new ATOM 0 HE1 TYR C 5 57.579 -8.693 14.742 1.00 0.00 H new ATOM 0 HE2 TYR C 5 60.606 -9.881 11.934 1.00 0.00 H new ATOM 0 HH TYR C 5 60.825 -10.119 14.143 1.00 0.00 H new ATOM 84 N LYS C 6 57.124 -10.922 9.478 1.00 0.00 N ATOM 85 CA LYS C 6 57.744 -11.966 8.669 1.00 0.00 C ATOM 86 C LYS C 6 56.697 -12.972 8.202 1.00 0.00 C ATOM 87 O LYS C 6 56.862 -13.617 7.166 1.00 0.00 O ATOM 88 CB LYS C 6 58.821 -12.686 9.482 1.00 0.00 C ATOM 89 CG LYS C 6 59.763 -13.431 8.535 1.00 0.00 C ATOM 90 CD LYS C 6 60.786 -14.225 9.351 1.00 0.00 C ATOM 91 CE LYS C 6 61.834 -14.825 8.412 1.00 0.00 C ATOM 92 NZ LYS C 6 62.598 -13.727 7.755 1.00 0.00 N ATOM 0 H LYS C 6 57.459 -10.874 10.440 1.00 0.00 H new ATOM 0 HA LYS C 6 58.200 -11.501 7.795 1.00 0.00 H new ATOM 0 HB2 LYS C 6 59.382 -11.967 10.079 1.00 0.00 H new ATOM 0 HB3 LYS C 6 58.359 -13.386 10.178 1.00 0.00 H new ATOM 0 HG2 LYS C 6 59.193 -14.103 7.893 1.00 0.00 H new ATOM 0 HG3 LYS C 6 60.274 -12.723 7.882 1.00 0.00 H new ATOM 0 HD2 LYS C 6 61.267 -13.575 10.082 1.00 0.00 H new ATOM 0 HD3 LYS C 6 60.286 -15.017 9.909 1.00 0.00 H new ATOM 0 HE2 LYS C 6 62.512 -15.470 8.971 1.00 0.00 H new ATOM 0 HE3 LYS C 6 61.350 -15.447 7.659 1.00 0.00 H new ATOM 0 HZ1 LYS C 6 63.515 -14.091 7.427 1.00 0.00 H new ATOM 0 HZ2 LYS C 6 62.058 -13.366 6.943 1.00 0.00 H new ATOM 0 HZ3 LYS C 6 62.755 -12.957 8.436 1.00 0.00 H new ATOM 106 N ALA C 7 55.622 -13.102 8.972 1.00 0.00 N ATOM 107 CA ALA C 7 54.555 -14.033 8.627 1.00 0.00 C ATOM 108 C ALA C 7 53.698 -13.471 7.497 1.00 0.00 C ATOM 109 O ALA C 7 53.374 -14.176 6.541 1.00 0.00 O ATOM 110 CB ALA C 7 53.678 -14.300 9.851 1.00 0.00 C ATOM 0 H ALA C 7 55.467 -12.578 9.833 1.00 0.00 H new ATOM 0 HA ALA C 7 55.007 -14.967 8.294 1.00 0.00 H new ATOM 0 HB1 ALA C 7 52.883 -14.997 9.584 1.00 0.00 H new ATOM 0 HB2 ALA C 7 54.286 -14.730 10.647 1.00 0.00 H new ATOM 0 HB3 ALA C 7 53.239 -13.364 10.195 1.00 0.00 H new ATOM 116 N ALA C 8 53.334 -12.198 7.614 1.00 0.00 N ATOM 117 CA ALA C 8 52.514 -11.552 6.596 1.00 0.00 C ATOM 118 C ALA C 8 53.203 -11.612 5.236 1.00 0.00 C ATOM 119 O ALA C 8 52.600 -12.016 4.242 1.00 0.00 O ATOM 120 CB ALA C 8 52.261 -10.093 6.978 1.00 0.00 C ATOM 0 H ALA C 8 53.592 -11.597 8.397 1.00 0.00 H new ATOM 0 HA ALA C 8 51.563 -12.081 6.533 1.00 0.00 H new ATOM 0 HB1 ALA C 8 51.648 -9.618 6.212 1.00 0.00 H new ATOM 0 HB2 ALA C 8 51.742 -10.052 7.936 1.00 0.00 H new ATOM 0 HB3 ALA C 8 53.213 -9.568 7.059 1.00 0.00 H new ATOM 126 N VAL C 9 54.468 -11.206 5.201 1.00 0.00 N ATOM 127 CA VAL C 9 55.229 -11.218 3.957 1.00 0.00 C ATOM 128 C VAL C 9 55.038 -12.543 3.225 1.00 0.00 C ATOM 129 O VAL C 9 54.655 -12.567 2.055 1.00 0.00 O ATOM 130 CB VAL C 9 56.715 -11.006 4.252 1.00 0.00 C ATOM 131 CG1 VAL C 9 56.890 -9.758 5.120 1.00 0.00 C ATOM 132 CG2 VAL C 9 57.266 -12.224 4.995 1.00 0.00 C ATOM 0 H VAL C 9 54.984 -10.867 6.013 1.00 0.00 H new ATOM 0 HA VAL C 9 54.866 -10.409 3.323 1.00 0.00 H new ATOM 0 HB VAL C 9 57.256 -10.876 3.315 1.00 0.00 H new ATOM 0 HG11 VAL C 9 57.949 -9.607 5.330 1.00 0.00 H new ATOM 0 HG12 VAL C 9 56.497 -8.889 4.592 1.00 0.00 H new ATOM 0 HG13 VAL C 9 56.349 -9.888 6.057 1.00 0.00 H new ATOM 0 HG21 VAL C 9 58.325 -12.073 5.205 1.00 0.00 H new ATOM 0 HG22 VAL C 9 56.725 -12.354 5.932 1.00 0.00 H new ATOM 0 HG23 VAL C 9 57.142 -13.114 4.378 1.00 0.00 H new ATOM 142 N GLU C 10 55.308 -13.642 3.922 1.00 0.00 N ATOM 143 CA GLU C 10 55.162 -14.966 3.327 1.00 0.00 C ATOM 144 C GLU C 10 53.712 -15.214 2.923 1.00 0.00 C ATOM 145 O GLU C 10 53.439 -15.967 1.988 1.00 0.00 O ATOM 146 CB GLU C 10 55.606 -16.038 4.324 1.00 0.00 C ATOM 147 CG GLU C 10 57.106 -15.896 4.593 1.00 0.00 C ATOM 148 CD GLU C 10 57.593 -17.054 5.457 1.00 0.00 C ATOM 149 OE1 GLU C 10 56.759 -17.822 5.909 1.00 0.00 O ATOM 150 OE2 GLU C 10 58.792 -17.156 5.654 1.00 0.00 O ATOM 0 H GLU C 10 55.626 -13.643 4.891 1.00 0.00 H new ATOM 0 HA GLU C 10 55.789 -15.016 2.437 1.00 0.00 H new ATOM 0 HB2 GLU C 10 55.048 -15.937 5.255 1.00 0.00 H new ATOM 0 HB3 GLU C 10 55.389 -17.030 3.928 1.00 0.00 H new ATOM 0 HG2 GLU C 10 57.653 -15.880 3.650 1.00 0.00 H new ATOM 0 HG3 GLU C 10 57.306 -14.949 5.094 1.00 0.00 H new ATOM 157 N GLN C 11 52.787 -14.576 3.633 1.00 0.00 N ATOM 158 CA GLN C 11 51.368 -14.736 3.338 1.00 0.00 C ATOM 159 C GLN C 11 50.883 -13.621 2.417 1.00 0.00 C ATOM 160 O GLN C 11 49.815 -13.047 2.630 1.00 0.00 O ATOM 161 CB GLN C 11 50.560 -14.715 4.637 1.00 0.00 C ATOM 162 CG GLN C 11 50.959 -15.908 5.507 1.00 0.00 C ATOM 163 CD GLN C 11 50.142 -15.912 6.794 1.00 0.00 C ATOM 164 OE1 GLN C 11 49.287 -14.951 7.016 1.00 0.00 O flip ATOM 165 NE2 GLN C 11 50.285 -16.814 7.620 1.00 0.00 N flip ATOM 0 H GLN C 11 52.992 -13.948 4.410 1.00 0.00 H new ATOM 0 HA GLN C 11 51.226 -15.693 2.837 1.00 0.00 H new ATOM 0 HB2 GLN C 11 50.740 -13.784 5.174 1.00 0.00 H new ATOM 0 HB3 GLN C 11 49.494 -14.754 4.415 1.00 0.00 H new ATOM 0 HG2 GLN C 11 50.797 -16.837 4.961 1.00 0.00 H new ATOM 0 HG3 GLN C 11 52.022 -15.858 5.742 1.00 0.00 H new ATOM 0 HE21 GLN C 11 50.953 -17.564 7.445 1.00 0.00 H new ATOM 0 HE22 GLN C 11 49.735 -16.811 8.479 1.00 0.00 H new ATOM 174 N LEU C 12 51.675 -13.319 1.394 1.00 0.00 N ATOM 175 CA LEU C 12 51.316 -12.270 0.446 1.00 0.00 C ATOM 176 C LEU C 12 50.931 -12.874 -0.901 1.00 0.00 C ATOM 177 O LEU C 12 51.565 -13.817 -1.374 1.00 0.00 O ATOM 178 CB LEU C 12 52.493 -11.310 0.259 1.00 0.00 C ATOM 179 CG LEU C 12 52.075 -9.901 0.683 1.00 0.00 C ATOM 180 CD1 LEU C 12 51.986 -9.832 2.208 1.00 0.00 C ATOM 181 CD2 LEU C 12 53.113 -8.892 0.187 1.00 0.00 C ATOM 0 H LEU C 12 52.563 -13.782 1.200 1.00 0.00 H new ATOM 0 HA LEU C 12 50.461 -11.723 0.844 1.00 0.00 H new ATOM 0 HB2 LEU C 12 53.345 -11.642 0.853 1.00 0.00 H new ATOM 0 HB3 LEU C 12 52.812 -11.308 -0.783 1.00 0.00 H new ATOM 0 HG LEU C 12 51.102 -9.665 0.252 1.00 0.00 H new ATOM 0 HD11 LEU C 12 51.688 -8.828 2.510 1.00 0.00 H new ATOM 0 HD12 LEU C 12 51.248 -10.551 2.562 1.00 0.00 H new ATOM 0 HD13 LEU C 12 52.959 -10.067 2.640 1.00 0.00 H new ATOM 0 HD21 LEU C 12 52.817 -7.887 0.488 1.00 0.00 H new ATOM 0 HD22 LEU C 12 54.085 -9.128 0.619 1.00 0.00 H new ATOM 0 HD23 LEU C 12 53.177 -8.941 -0.900 1.00 0.00 H new ATOM 193 N THR C 13 49.887 -12.324 -1.513 1.00 0.00 N ATOM 194 CA THR C 13 49.426 -12.816 -2.806 1.00 0.00 C ATOM 195 C THR C 13 49.965 -11.944 -3.935 1.00 0.00 C ATOM 196 O THR C 13 50.379 -10.807 -3.710 1.00 0.00 O ATOM 197 CB THR C 13 47.896 -12.820 -2.847 1.00 0.00 C ATOM 198 OG1 THR C 13 47.425 -11.487 -2.985 1.00 0.00 O ATOM 199 CG2 THR C 13 47.350 -13.426 -1.554 1.00 0.00 C ATOM 0 H THR C 13 49.348 -11.544 -1.138 1.00 0.00 H new ATOM 0 HA THR C 13 49.796 -13.832 -2.940 1.00 0.00 H new ATOM 0 HB THR C 13 47.556 -13.415 -3.695 1.00 0.00 H new ATOM 0 HG1 THR C 13 46.445 -11.487 -3.013 1.00 0.00 H new ATOM 0 HG21 THR C 13 46.260 -13.428 -1.585 1.00 0.00 H new ATOM 0 HG22 THR C 13 47.712 -14.449 -1.450 1.00 0.00 H new ATOM 0 HG23 THR C 13 47.688 -12.834 -0.704 1.00 0.00 H new ATOM 207 N GLU C 14 49.958 -12.485 -5.149 1.00 0.00 N ATOM 208 CA GLU C 14 50.449 -11.747 -6.306 1.00 0.00 C ATOM 209 C GLU C 14 49.772 -10.383 -6.399 1.00 0.00 C ATOM 210 O GLU C 14 50.275 -9.473 -7.057 1.00 0.00 O ATOM 211 CB GLU C 14 50.179 -12.541 -7.586 1.00 0.00 C ATOM 212 CG GLU C 14 50.923 -11.894 -8.755 1.00 0.00 C ATOM 213 CD GLU C 14 52.417 -12.182 -8.646 1.00 0.00 C ATOM 214 OE1 GLU C 14 52.768 -13.145 -7.985 1.00 0.00 O ATOM 215 OE2 GLU C 14 53.188 -11.434 -9.225 1.00 0.00 O ATOM 0 H GLU C 14 49.620 -13.425 -5.356 1.00 0.00 H new ATOM 0 HA GLU C 14 51.523 -11.600 -6.190 1.00 0.00 H new ATOM 0 HB2 GLU C 14 50.504 -13.574 -7.461 1.00 0.00 H new ATOM 0 HB3 GLU C 14 49.109 -12.566 -7.792 1.00 0.00 H new ATOM 0 HG2 GLU C 14 50.538 -12.279 -9.699 1.00 0.00 H new ATOM 0 HG3 GLU C 14 50.751 -10.818 -8.755 1.00 0.00 H new ATOM 222 N GLU C 15 48.628 -10.250 -5.736 1.00 0.00 N ATOM 223 CA GLU C 15 47.890 -8.993 -5.751 1.00 0.00 C ATOM 224 C GLU C 15 48.659 -7.911 -4.999 1.00 0.00 C ATOM 225 O GLU C 15 48.679 -6.751 -5.410 1.00 0.00 O ATOM 226 CB GLU C 15 46.515 -9.186 -5.107 1.00 0.00 C ATOM 227 CG GLU C 15 45.683 -10.147 -5.957 1.00 0.00 C ATOM 228 CD GLU C 15 45.375 -9.513 -7.310 1.00 0.00 C ATOM 229 OE1 GLU C 15 45.527 -8.308 -7.426 1.00 0.00 O ATOM 230 OE2 GLU C 15 44.991 -10.242 -8.210 1.00 0.00 O ATOM 0 H GLU C 15 48.195 -10.991 -5.186 1.00 0.00 H new ATOM 0 HA GLU C 15 47.764 -8.680 -6.787 1.00 0.00 H new ATOM 0 HB2 GLU C 15 46.627 -9.581 -4.097 1.00 0.00 H new ATOM 0 HB3 GLU C 15 46.005 -8.227 -5.019 1.00 0.00 H new ATOM 0 HG2 GLU C 15 46.225 -11.082 -6.099 1.00 0.00 H new ATOM 0 HG3 GLU C 15 44.755 -10.392 -5.441 1.00 0.00 H new ATOM 237 N GLN C 16 49.290 -8.299 -3.896 1.00 0.00 N ATOM 238 CA GLN C 16 50.057 -7.353 -3.094 1.00 0.00 C ATOM 239 C GLN C 16 51.471 -7.206 -3.647 1.00 0.00 C ATOM 240 O GLN C 16 51.895 -6.108 -4.007 1.00 0.00 O ATOM 241 CB GLN C 16 50.123 -7.832 -1.642 1.00 0.00 C ATOM 242 CG GLN C 16 48.712 -7.861 -1.050 1.00 0.00 C ATOM 243 CD GLN C 16 48.212 -6.439 -0.823 1.00 0.00 C ATOM 244 OE1 GLN C 16 48.935 -5.605 -0.277 1.00 0.00 O ATOM 245 NE2 GLN C 16 47.011 -6.109 -1.214 1.00 0.00 N ATOM 0 H GLN C 16 49.286 -9.254 -3.539 1.00 0.00 H new ATOM 0 HA GLN C 16 49.560 -6.384 -3.135 1.00 0.00 H new ATOM 0 HB2 GLN C 16 50.569 -8.826 -1.595 1.00 0.00 H new ATOM 0 HB3 GLN C 16 50.761 -7.169 -1.058 1.00 0.00 H new ATOM 0 HG2 GLN C 16 48.037 -8.389 -1.723 1.00 0.00 H new ATOM 0 HG3 GLN C 16 48.715 -8.409 -0.108 1.00 0.00 H new ATOM 0 HE21 GLN C 16 46.414 -6.801 -1.666 1.00 0.00 H new ATOM 0 HE22 GLN C 16 46.670 -5.159 -1.067 1.00 0.00 H new ATOM 254 N LYS C 17 52.195 -8.318 -3.712 1.00 0.00 N ATOM 255 CA LYS C 17 53.561 -8.300 -4.223 1.00 0.00 C ATOM 256 C LYS C 17 53.653 -7.433 -5.475 1.00 0.00 C ATOM 257 O LYS C 17 54.547 -6.596 -5.598 1.00 0.00 O ATOM 258 CB LYS C 17 54.014 -9.724 -4.552 1.00 0.00 C ATOM 259 CG LYS C 17 55.504 -9.718 -4.899 1.00 0.00 C ATOM 260 CD LYS C 17 55.963 -11.146 -5.203 1.00 0.00 C ATOM 261 CE LYS C 17 55.493 -11.547 -6.602 1.00 0.00 C ATOM 262 NZ LYS C 17 55.964 -10.538 -7.592 1.00 0.00 N ATOM 0 H LYS C 17 51.862 -9.237 -3.420 1.00 0.00 H new ATOM 0 HA LYS C 17 54.211 -7.880 -3.455 1.00 0.00 H new ATOM 0 HB2 LYS C 17 53.830 -10.381 -3.702 1.00 0.00 H new ATOM 0 HB3 LYS C 17 53.436 -10.117 -5.389 1.00 0.00 H new ATOM 0 HG2 LYS C 17 55.685 -9.075 -5.761 1.00 0.00 H new ATOM 0 HG3 LYS C 17 56.080 -9.308 -4.069 1.00 0.00 H new ATOM 0 HD2 LYS C 17 57.049 -11.211 -5.140 1.00 0.00 H new ATOM 0 HD3 LYS C 17 55.559 -11.835 -4.461 1.00 0.00 H new ATOM 0 HE2 LYS C 17 55.881 -12.533 -6.859 1.00 0.00 H new ATOM 0 HE3 LYS C 17 54.405 -11.616 -6.626 1.00 0.00 H new ATOM 0 HZ1 LYS C 17 56.180 -11.010 -8.493 1.00 0.00 H new ATOM 0 HZ2 LYS C 17 55.221 -9.827 -7.743 1.00 0.00 H new ATOM 0 HZ3 LYS C 17 56.821 -10.072 -7.232 1.00 0.00 H new ATOM 276 N ASN C 18 52.722 -7.640 -6.401 1.00 0.00 N ATOM 277 CA ASN C 18 52.708 -6.871 -7.640 1.00 0.00 C ATOM 278 C ASN C 18 52.819 -5.378 -7.346 1.00 0.00 C ATOM 279 O ASN C 18 53.385 -4.621 -8.134 1.00 0.00 O ATOM 280 CB ASN C 18 51.416 -7.146 -8.411 1.00 0.00 C ATOM 281 CG ASN C 18 51.503 -8.499 -9.109 1.00 0.00 C ATOM 282 OD1 ASN C 18 52.465 -9.241 -8.909 1.00 0.00 O ATOM 283 ND2 ASN C 18 50.550 -8.867 -9.922 1.00 0.00 N ATOM 0 H ASN C 18 51.973 -8.328 -6.318 1.00 0.00 H new ATOM 0 HA ASN C 18 53.563 -7.175 -8.244 1.00 0.00 H new ATOM 0 HB2 ASN C 18 50.566 -7.134 -7.729 1.00 0.00 H new ATOM 0 HB3 ASN C 18 51.247 -6.359 -9.146 1.00 0.00 H new ATOM 0 HD21 ASN C 18 50.602 -9.770 -10.393 1.00 0.00 H new ATOM 0 HD22 ASN C 18 49.754 -8.251 -10.086 1.00 0.00 H new ATOM 290 N GLU C 19 52.274 -4.963 -6.207 1.00 0.00 N ATOM 291 CA GLU C 19 52.318 -3.558 -5.819 1.00 0.00 C ATOM 292 C GLU C 19 53.689 -3.200 -5.254 1.00 0.00 C ATOM 293 O GLU C 19 54.316 -2.233 -5.685 1.00 0.00 O ATOM 294 CB GLU C 19 51.241 -3.272 -4.770 1.00 0.00 C ATOM 295 CG GLU C 19 49.864 -3.607 -5.348 1.00 0.00 C ATOM 296 CD GLU C 19 48.774 -3.212 -4.358 1.00 0.00 C ATOM 297 OE1 GLU C 19 49.114 -2.868 -3.238 1.00 0.00 O ATOM 298 OE2 GLU C 19 47.614 -3.260 -4.734 1.00 0.00 O ATOM 0 H GLU C 19 51.800 -5.574 -5.541 1.00 0.00 H new ATOM 0 HA GLU C 19 52.133 -2.950 -6.705 1.00 0.00 H new ATOM 0 HB2 GLU C 19 51.425 -3.864 -3.874 1.00 0.00 H new ATOM 0 HB3 GLU C 19 51.277 -2.224 -4.472 1.00 0.00 H new ATOM 0 HG2 GLU C 19 49.718 -3.081 -6.291 1.00 0.00 H new ATOM 0 HG3 GLU C 19 49.801 -4.673 -5.565 1.00 0.00 H new ATOM 305 N PHE C 20 54.148 -3.987 -4.286 1.00 0.00 N ATOM 306 CA PHE C 20 55.447 -3.744 -3.669 1.00 0.00 C ATOM 307 C PHE C 20 56.544 -3.706 -4.727 1.00 0.00 C ATOM 308 O PHE C 20 57.352 -2.778 -4.765 1.00 0.00 O ATOM 309 CB PHE C 20 55.755 -4.843 -2.650 1.00 0.00 C ATOM 310 CG PHE C 20 57.023 -5.558 -3.049 1.00 0.00 C ATOM 311 CD1 PHE C 20 58.269 -5.024 -2.696 1.00 0.00 C ATOM 312 CD2 PHE C 20 56.955 -6.754 -3.773 1.00 0.00 C ATOM 313 CE1 PHE C 20 59.445 -5.687 -3.066 1.00 0.00 C ATOM 314 CE2 PHE C 20 58.131 -7.417 -4.143 1.00 0.00 C ATOM 315 CZ PHE C 20 59.376 -6.884 -3.789 1.00 0.00 C ATOM 0 H PHE C 20 53.644 -4.792 -3.914 1.00 0.00 H new ATOM 0 HA PHE C 20 55.413 -2.779 -3.163 1.00 0.00 H new ATOM 0 HB2 PHE C 20 55.866 -4.411 -1.655 1.00 0.00 H new ATOM 0 HB3 PHE C 20 54.927 -5.550 -2.600 1.00 0.00 H new ATOM 0 HD1 PHE C 20 58.322 -4.101 -2.138 1.00 0.00 H new ATOM 0 HD2 PHE C 20 55.995 -7.166 -4.046 1.00 0.00 H new ATOM 0 HE1 PHE C 20 60.406 -5.275 -2.794 1.00 0.00 H new ATOM 0 HE2 PHE C 20 58.078 -8.340 -4.702 1.00 0.00 H new ATOM 0 HZ PHE C 20 60.283 -7.396 -4.074 1.00 0.00 H new ATOM 325 N LYS C 21 56.568 -4.721 -5.585 1.00 0.00 N ATOM 326 CA LYS C 21 57.571 -4.793 -6.640 1.00 0.00 C ATOM 327 C LYS C 21 57.687 -3.455 -7.363 1.00 0.00 C ATOM 328 O LYS C 21 58.746 -3.112 -7.889 1.00 0.00 O ATOM 329 CB LYS C 21 57.197 -5.886 -7.643 1.00 0.00 C ATOM 330 CG LYS C 21 58.359 -6.110 -8.612 1.00 0.00 C ATOM 331 CD LYS C 21 57.975 -7.186 -9.630 1.00 0.00 C ATOM 332 CE LYS C 21 59.193 -7.536 -10.487 1.00 0.00 C ATOM 333 NZ LYS C 21 60.108 -6.362 -10.554 1.00 0.00 N ATOM 0 H LYS C 21 55.909 -5.500 -5.571 1.00 0.00 H new ATOM 0 HA LYS C 21 58.532 -5.031 -6.185 1.00 0.00 H new ATOM 0 HB2 LYS C 21 56.964 -6.812 -7.117 1.00 0.00 H new ATOM 0 HB3 LYS C 21 56.301 -5.598 -8.193 1.00 0.00 H new ATOM 0 HG2 LYS C 21 58.603 -5.180 -9.125 1.00 0.00 H new ATOM 0 HG3 LYS C 21 59.250 -6.415 -8.063 1.00 0.00 H new ATOM 0 HD2 LYS C 21 57.612 -8.075 -9.115 1.00 0.00 H new ATOM 0 HD3 LYS C 21 57.162 -6.829 -10.263 1.00 0.00 H new ATOM 0 HE2 LYS C 21 59.715 -8.394 -10.063 1.00 0.00 H new ATOM 0 HE3 LYS C 21 58.875 -7.821 -11.490 1.00 0.00 H new ATOM 0 HZ1 LYS C 21 60.825 -6.522 -11.290 1.00 0.00 H new ATOM 0 HZ2 LYS C 21 59.561 -5.508 -10.783 1.00 0.00 H new ATOM 0 HZ3 LYS C 21 60.578 -6.235 -9.635 1.00 0.00 H new ATOM 347 N ALA C 22 56.591 -2.703 -7.384 1.00 0.00 N ATOM 348 CA ALA C 22 56.582 -1.404 -8.046 1.00 0.00 C ATOM 349 C ALA C 22 57.609 -0.471 -7.411 1.00 0.00 C ATOM 350 O ALA C 22 58.613 -0.123 -8.032 1.00 0.00 O ATOM 351 CB ALA C 22 55.190 -0.777 -7.945 1.00 0.00 C ATOM 0 H ALA C 22 55.705 -2.968 -6.954 1.00 0.00 H new ATOM 0 HA ALA C 22 56.840 -1.550 -9.095 1.00 0.00 H new ATOM 0 HB1 ALA C 22 55.191 0.193 -8.442 1.00 0.00 H new ATOM 0 HB2 ALA C 22 54.461 -1.430 -8.425 1.00 0.00 H new ATOM 0 HB3 ALA C 22 54.925 -0.647 -6.896 1.00 0.00 H new ATOM 357 N ALA C 23 57.350 -0.071 -6.170 1.00 0.00 N ATOM 358 CA ALA C 23 58.260 0.821 -5.461 1.00 0.00 C ATOM 359 C ALA C 23 59.673 0.246 -5.447 1.00 0.00 C ATOM 360 O ALA C 23 60.629 0.915 -5.838 1.00 0.00 O ATOM 361 CB ALA C 23 57.776 1.026 -4.024 1.00 0.00 C ATOM 0 H ALA C 23 56.525 -0.348 -5.638 1.00 0.00 H new ATOM 0 HA ALA C 23 58.276 1.780 -5.979 1.00 0.00 H new ATOM 0 HB1 ALA C 23 58.461 1.693 -3.501 1.00 0.00 H new ATOM 0 HB2 ALA C 23 56.779 1.466 -4.035 1.00 0.00 H new ATOM 0 HB3 ALA C 23 57.743 0.065 -3.511 1.00 0.00 H new ATOM 367 N PHE C 24 59.796 -0.997 -4.994 1.00 0.00 N ATOM 368 CA PHE C 24 61.097 -1.653 -4.934 1.00 0.00 C ATOM 369 C PHE C 24 61.935 -1.295 -6.158 1.00 0.00 C ATOM 370 O PHE C 24 63.151 -1.130 -6.063 1.00 0.00 O ATOM 371 CB PHE C 24 60.915 -3.170 -4.864 1.00 0.00 C ATOM 372 CG PHE C 24 62.268 -3.837 -4.801 1.00 0.00 C ATOM 373 CD1 PHE C 24 62.932 -3.959 -3.574 1.00 0.00 C ATOM 374 CD2 PHE C 24 62.858 -4.334 -5.969 1.00 0.00 C ATOM 375 CE1 PHE C 24 64.186 -4.578 -3.516 1.00 0.00 C ATOM 376 CE2 PHE C 24 64.113 -4.953 -5.911 1.00 0.00 C ATOM 377 CZ PHE C 24 64.777 -5.075 -4.684 1.00 0.00 C ATOM 0 H PHE C 24 59.017 -1.567 -4.665 1.00 0.00 H new ATOM 0 HA PHE C 24 61.615 -1.308 -4.039 1.00 0.00 H new ATOM 0 HB2 PHE C 24 60.325 -3.436 -3.987 1.00 0.00 H new ATOM 0 HB3 PHE C 24 60.365 -3.522 -5.737 1.00 0.00 H new ATOM 0 HD1 PHE C 24 62.477 -3.576 -2.673 1.00 0.00 H new ATOM 0 HD2 PHE C 24 62.345 -4.240 -6.915 1.00 0.00 H new ATOM 0 HE1 PHE C 24 64.698 -4.672 -2.570 1.00 0.00 H new ATOM 0 HE2 PHE C 24 64.569 -5.336 -6.812 1.00 0.00 H new ATOM 0 HZ PHE C 24 65.745 -5.552 -4.639 1.00 0.00 H new ATOM 387 N ASP C 25 61.276 -1.176 -7.306 1.00 0.00 N ATOM 388 CA ASP C 25 61.970 -0.838 -8.542 1.00 0.00 C ATOM 389 C ASP C 25 62.370 0.634 -8.547 1.00 0.00 C ATOM 390 O ASP C 25 63.543 0.968 -8.712 1.00 0.00 O ATOM 391 CB ASP C 25 61.069 -1.127 -9.744 1.00 0.00 C ATOM 392 CG ASP C 25 61.852 -0.945 -11.039 1.00 0.00 C ATOM 393 OD1 ASP C 25 63.053 -0.742 -10.959 1.00 0.00 O ATOM 394 OD2 ASP C 25 61.240 -1.011 -12.093 1.00 0.00 O ATOM 0 H ASP C 25 60.269 -1.308 -7.406 1.00 0.00 H new ATOM 0 HA ASP C 25 62.871 -1.448 -8.608 1.00 0.00 H new ATOM 0 HB2 ASP C 25 60.683 -2.144 -9.683 1.00 0.00 H new ATOM 0 HB3 ASP C 25 60.208 -0.458 -9.733 1.00 0.00 H new ATOM 399 N ILE C 26 61.387 1.510 -8.364 1.00 0.00 N ATOM 400 CA ILE C 26 61.648 2.945 -8.349 1.00 0.00 C ATOM 401 C ILE C 26 62.549 3.313 -7.175 1.00 0.00 C ATOM 402 O ILE C 26 63.185 4.367 -7.175 1.00 0.00 O ATOM 403 CB ILE C 26 60.331 3.714 -8.245 1.00 0.00 C ATOM 404 CG1 ILE C 26 59.442 3.366 -9.441 1.00 0.00 C ATOM 405 CG2 ILE C 26 60.615 5.217 -8.244 1.00 0.00 C ATOM 406 CD1 ILE C 26 58.023 3.879 -9.191 1.00 0.00 C ATOM 0 H ILE C 26 60.409 1.254 -8.225 1.00 0.00 H new ATOM 0 HA ILE C 26 62.152 3.214 -9.277 1.00 0.00 H new ATOM 0 HB ILE C 26 59.823 3.439 -7.320 1.00 0.00 H new ATOM 0 HG12 ILE C 26 59.846 3.812 -10.350 1.00 0.00 H new ATOM 0 HG13 ILE C 26 59.428 2.287 -9.595 1.00 0.00 H new ATOM 0 HG21 ILE C 26 59.676 5.765 -8.170 1.00 0.00 H new ATOM 0 HG22 ILE C 26 61.249 5.467 -7.393 1.00 0.00 H new ATOM 0 HG23 ILE C 26 61.123 5.492 -9.168 1.00 0.00 H new ATOM 0 HD11 ILE C 26 57.391 3.631 -10.043 1.00 0.00 H new ATOM 0 HD12 ILE C 26 57.620 3.412 -8.292 1.00 0.00 H new ATOM 0 HD13 ILE C 26 58.045 4.961 -9.059 1.00 0.00 H new ATOM 418 N PHE C 27 62.598 2.438 -6.176 1.00 0.00 N ATOM 419 CA PHE C 27 63.425 2.682 -5.000 1.00 0.00 C ATOM 420 C PHE C 27 64.896 2.433 -5.317 1.00 0.00 C ATOM 421 O PHE C 27 65.782 3.036 -4.712 1.00 0.00 O ATOM 422 CB PHE C 27 62.986 1.768 -3.854 1.00 0.00 C ATOM 423 CG PHE C 27 61.977 2.489 -2.993 1.00 0.00 C ATOM 424 CD1 PHE C 27 60.921 3.189 -3.589 1.00 0.00 C ATOM 425 CD2 PHE C 27 62.098 2.458 -1.598 1.00 0.00 C ATOM 426 CE1 PHE C 27 59.985 3.858 -2.790 1.00 0.00 C ATOM 427 CE2 PHE C 27 61.162 3.127 -0.800 1.00 0.00 C ATOM 428 CZ PHE C 27 60.106 3.827 -1.396 1.00 0.00 C ATOM 0 H PHE C 27 62.079 1.560 -6.157 1.00 0.00 H new ATOM 0 HA PHE C 27 63.301 3.723 -4.702 1.00 0.00 H new ATOM 0 HB2 PHE C 27 62.551 0.851 -4.252 1.00 0.00 H new ATOM 0 HB3 PHE C 27 63.849 1.477 -3.255 1.00 0.00 H new ATOM 0 HD1 PHE C 27 60.828 3.213 -4.665 1.00 0.00 H new ATOM 0 HD2 PHE C 27 62.913 1.918 -1.138 1.00 0.00 H new ATOM 0 HE1 PHE C 27 59.170 4.398 -3.250 1.00 0.00 H new ATOM 0 HE2 PHE C 27 61.255 3.103 0.276 1.00 0.00 H new ATOM 0 HZ PHE C 27 59.385 4.343 -0.780 1.00 0.00 H new ATOM 438 N VAL C 28 65.148 1.541 -6.269 1.00 0.00 N ATOM 439 CA VAL C 28 66.516 1.220 -6.659 1.00 0.00 C ATOM 440 C VAL C 28 66.787 1.676 -8.089 1.00 0.00 C ATOM 441 O VAL C 28 67.564 1.053 -8.813 1.00 0.00 O ATOM 442 CB VAL C 28 66.750 -0.288 -6.549 1.00 0.00 C ATOM 443 CG1 VAL C 28 66.010 -0.832 -5.326 1.00 0.00 C ATOM 444 CG2 VAL C 28 66.224 -0.977 -7.810 1.00 0.00 C ATOM 0 H VAL C 28 64.429 1.031 -6.782 1.00 0.00 H new ATOM 0 HA VAL C 28 67.197 1.743 -5.988 1.00 0.00 H new ATOM 0 HB VAL C 28 67.817 -0.484 -6.444 1.00 0.00 H new ATOM 0 HG11 VAL C 28 66.177 -1.906 -5.248 1.00 0.00 H new ATOM 0 HG12 VAL C 28 66.382 -0.341 -4.427 1.00 0.00 H new ATOM 0 HG13 VAL C 28 64.943 -0.637 -5.430 1.00 0.00 H new ATOM 0 HG21 VAL C 28 66.390 -2.052 -7.734 1.00 0.00 H new ATOM 0 HG22 VAL C 28 65.157 -0.781 -7.913 1.00 0.00 H new ATOM 0 HG23 VAL C 28 66.750 -0.590 -8.683 1.00 0.00 H new ATOM 454 N LEU C 29 66.141 2.766 -8.490 1.00 0.00 N ATOM 455 CA LEU C 29 66.321 3.296 -9.836 1.00 0.00 C ATOM 456 C LEU C 29 67.712 3.902 -9.993 1.00 0.00 C ATOM 457 O LEU C 29 67.899 5.106 -9.821 1.00 0.00 O ATOM 458 CB LEU C 29 65.263 4.364 -10.122 1.00 0.00 C ATOM 459 CG LEU C 29 65.103 4.533 -11.634 1.00 0.00 C ATOM 460 CD1 LEU C 29 63.853 5.363 -11.926 1.00 0.00 C ATOM 461 CD2 LEU C 29 66.333 5.248 -12.198 1.00 0.00 C ATOM 0 H LEU C 29 65.493 3.296 -7.907 1.00 0.00 H new ATOM 0 HA LEU C 29 66.212 2.476 -10.546 1.00 0.00 H new ATOM 0 HB2 LEU C 29 64.311 4.077 -9.675 1.00 0.00 H new ATOM 0 HB3 LEU C 29 65.555 5.311 -9.669 1.00 0.00 H new ATOM 0 HG LEU C 29 65.004 3.553 -12.101 1.00 0.00 H new ATOM 0 HD11 LEU C 29 63.739 5.483 -13.003 1.00 0.00 H new ATOM 0 HD12 LEU C 29 62.977 4.855 -11.523 1.00 0.00 H new ATOM 0 HD13 LEU C 29 63.950 6.344 -11.460 1.00 0.00 H new ATOM 0 HD21 LEU C 29 66.221 5.369 -13.275 1.00 0.00 H new ATOM 0 HD22 LEU C 29 66.430 6.228 -11.731 1.00 0.00 H new ATOM 0 HD23 LEU C 29 67.225 4.657 -11.990 1.00 0.00 H new ATOM 473 N GLY C 30 68.686 3.058 -10.320 1.00 0.00 N ATOM 474 CA GLY C 30 70.057 3.522 -10.497 1.00 0.00 C ATOM 475 C GLY C 30 71.008 2.778 -9.566 1.00 0.00 C ATOM 476 O GLY C 30 72.194 3.100 -9.488 1.00 0.00 O ATOM 0 H GLY C 30 68.553 2.057 -10.467 1.00 0.00 H new ATOM 0 HA2 GLY C 30 70.365 3.373 -11.532 1.00 0.00 H new ATOM 0 HA3 GLY C 30 70.111 4.592 -10.299 1.00 0.00 H new ATOM 480 N ALA C 31 70.481 1.782 -8.862 1.00 0.00 N ATOM 481 CA ALA C 31 71.293 0.999 -7.938 1.00 0.00 C ATOM 482 C ALA C 31 72.349 0.201 -8.697 1.00 0.00 C ATOM 483 O ALA C 31 72.341 0.155 -9.927 1.00 0.00 O ATOM 484 CB ALA C 31 70.404 0.043 -7.141 1.00 0.00 C ATOM 0 H ALA C 31 69.502 1.499 -8.913 1.00 0.00 H new ATOM 0 HA ALA C 31 71.793 1.684 -7.254 1.00 0.00 H new ATOM 0 HB1 ALA C 31 71.019 -0.538 -6.453 1.00 0.00 H new ATOM 0 HB2 ALA C 31 69.669 0.616 -6.575 1.00 0.00 H new ATOM 0 HB3 ALA C 31 69.889 -0.631 -7.826 1.00 0.00 H new ATOM 490 N GLU C 32 73.256 -0.427 -7.955 1.00 0.00 N ATOM 491 CA GLU C 32 74.314 -1.220 -8.570 1.00 0.00 C ATOM 492 C GLU C 32 73.944 -2.700 -8.568 1.00 0.00 C ATOM 493 O GLU C 32 74.089 -3.387 -9.579 1.00 0.00 O ATOM 494 CB GLU C 32 75.626 -1.019 -7.809 1.00 0.00 C ATOM 495 CG GLU C 32 76.051 0.447 -7.903 1.00 0.00 C ATOM 496 CD GLU C 32 76.332 0.817 -9.355 1.00 0.00 C ATOM 497 OE1 GLU C 32 76.508 -0.089 -10.153 1.00 0.00 O ATOM 498 OE2 GLU C 32 76.367 2.001 -9.648 1.00 0.00 O ATOM 0 H GLU C 32 73.280 -0.403 -6.936 1.00 0.00 H new ATOM 0 HA GLU C 32 74.438 -0.890 -9.601 1.00 0.00 H new ATOM 0 HB2 GLU C 32 75.501 -1.306 -6.765 1.00 0.00 H new ATOM 0 HB3 GLU C 32 76.402 -1.661 -8.225 1.00 0.00 H new ATOM 0 HG2 GLU C 32 75.266 1.088 -7.501 1.00 0.00 H new ATOM 0 HG3 GLU C 32 76.941 0.615 -7.297 1.00 0.00 H new ATOM 505 N ASP C 33 73.466 -3.184 -7.426 1.00 0.00 N ATOM 506 CA ASP C 33 73.078 -4.585 -7.304 1.00 0.00 C ATOM 507 C ASP C 33 71.559 -4.720 -7.279 1.00 0.00 C ATOM 508 O ASP C 33 70.991 -5.576 -7.958 1.00 0.00 O ATOM 509 CB ASP C 33 73.667 -5.180 -6.024 1.00 0.00 C ATOM 510 CG ASP C 33 75.188 -5.215 -6.117 1.00 0.00 C ATOM 511 OD1 ASP C 33 75.700 -5.033 -7.210 1.00 0.00 O ATOM 512 OD2 ASP C 33 75.820 -5.424 -5.094 1.00 0.00 O ATOM 0 H ASP C 33 73.339 -2.632 -6.578 1.00 0.00 H new ATOM 0 HA ASP C 33 73.465 -5.127 -8.167 1.00 0.00 H new ATOM 0 HB2 ASP C 33 73.361 -4.586 -5.163 1.00 0.00 H new ATOM 0 HB3 ASP C 33 73.281 -6.188 -5.870 1.00 0.00 H new ATOM 517 N GLY C 34 70.907 -3.871 -6.493 1.00 0.00 N ATOM 518 CA GLY C 34 69.453 -3.905 -6.387 1.00 0.00 C ATOM 519 C GLY C 34 69.003 -3.633 -4.956 1.00 0.00 C ATOM 520 O GLY C 34 68.143 -4.333 -4.422 1.00 0.00 O ATOM 0 H GLY C 34 71.358 -3.155 -5.923 1.00 0.00 H new ATOM 0 HA2 GLY C 34 69.019 -3.162 -7.056 1.00 0.00 H new ATOM 0 HA3 GLY C 34 69.084 -4.879 -6.709 1.00 0.00 H new ATOM 524 N CYS C 35 69.592 -2.613 -4.340 1.00 0.00 N ATOM 525 CA CYS C 35 69.244 -2.257 -2.970 1.00 0.00 C ATOM 526 C CYS C 35 68.903 -0.774 -2.871 1.00 0.00 C ATOM 527 O CYS C 35 68.756 -0.092 -3.885 1.00 0.00 O ATOM 528 CB CYS C 35 70.411 -2.579 -2.034 1.00 0.00 C ATOM 529 SG CYS C 35 71.153 -4.157 -2.516 1.00 0.00 S ATOM 0 H CYS C 35 70.307 -2.023 -4.764 1.00 0.00 H new ATOM 0 HA CYS C 35 68.371 -2.838 -2.674 1.00 0.00 H new ATOM 0 HB2 CYS C 35 71.157 -1.785 -2.079 1.00 0.00 H new ATOM 0 HB3 CYS C 35 70.061 -2.629 -1.003 1.00 0.00 H new ATOM 0 HG CYS C 35 70.422 -5.135 -2.070 1.00 0.00 H new ATOM 535 N ILE C 36 68.780 -0.280 -1.643 1.00 0.00 N ATOM 536 CA ILE C 36 68.457 1.125 -1.424 1.00 0.00 C ATOM 537 C ILE C 36 69.424 1.747 -0.422 1.00 0.00 C ATOM 538 O ILE C 36 69.918 1.072 0.481 1.00 0.00 O ATOM 539 CB ILE C 36 67.025 1.255 -0.902 1.00 0.00 C ATOM 540 CG1 ILE C 36 66.501 -0.126 -0.503 1.00 0.00 C ATOM 541 CG2 ILE C 36 66.133 1.840 -1.998 1.00 0.00 C ATOM 542 CD1 ILE C 36 66.037 -0.877 -1.752 1.00 0.00 C ATOM 0 H ILE C 36 68.898 -0.827 -0.790 1.00 0.00 H new ATOM 0 HA ILE C 36 68.547 1.652 -2.374 1.00 0.00 H new ATOM 0 HB ILE C 36 67.014 1.914 -0.034 1.00 0.00 H new ATOM 0 HG12 ILE C 36 67.283 -0.691 0.004 1.00 0.00 H new ATOM 0 HG13 ILE C 36 65.675 -0.024 0.201 1.00 0.00 H new ATOM 0 HG21 ILE C 36 65.113 1.933 -1.626 1.00 0.00 H new ATOM 0 HG22 ILE C 36 66.506 2.824 -2.284 1.00 0.00 H new ATOM 0 HG23 ILE C 36 66.144 1.181 -2.866 1.00 0.00 H new ATOM 0 HD11 ILE C 36 65.664 -1.861 -1.467 1.00 0.00 H new ATOM 0 HD12 ILE C 36 65.241 -0.314 -2.240 1.00 0.00 H new ATOM 0 HD13 ILE C 36 66.875 -0.992 -2.440 1.00 0.00 H new ATOM 554 N SER C 37 69.691 3.039 -0.589 1.00 0.00 N ATOM 555 CA SER C 37 70.602 3.742 0.307 1.00 0.00 C ATOM 556 C SER C 37 70.270 5.230 0.348 1.00 0.00 C ATOM 557 O SER C 37 71.156 6.077 0.235 1.00 0.00 O ATOM 558 CB SER C 37 72.044 3.552 -0.161 1.00 0.00 C ATOM 559 OG SER C 37 72.929 3.866 0.906 1.00 0.00 O ATOM 0 H SER C 37 69.293 3.616 -1.330 1.00 0.00 H new ATOM 0 HA SER C 37 70.488 3.328 1.309 1.00 0.00 H new ATOM 0 HB2 SER C 37 72.200 2.524 -0.488 1.00 0.00 H new ATOM 0 HB3 SER C 37 72.248 4.193 -1.019 1.00 0.00 H new ATOM 0 HG SER C 37 72.786 4.794 1.187 1.00 0.00 H new ATOM 565 N THR C 38 68.988 5.542 0.512 1.00 0.00 N ATOM 566 CA THR C 38 68.551 6.932 0.567 1.00 0.00 C ATOM 567 C THR C 38 68.711 7.598 -0.796 1.00 0.00 C ATOM 568 O THR C 38 67.736 8.059 -1.391 1.00 0.00 O ATOM 569 CB THR C 38 69.370 7.696 1.609 1.00 0.00 C ATOM 570 OG1 THR C 38 70.558 8.191 1.006 1.00 0.00 O ATOM 571 CG2 THR C 38 69.733 6.759 2.763 1.00 0.00 C ATOM 0 H THR C 38 68.239 4.857 0.608 1.00 0.00 H new ATOM 0 HA THR C 38 67.498 6.951 0.847 1.00 0.00 H new ATOM 0 HB THR C 38 68.783 8.530 1.993 1.00 0.00 H new ATOM 0 HG1 THR C 38 71.248 7.495 1.023 1.00 0.00 H new ATOM 0 HG21 THR C 38 70.317 7.304 3.505 1.00 0.00 H new ATOM 0 HG22 THR C 38 68.821 6.381 3.225 1.00 0.00 H new ATOM 0 HG23 THR C 38 70.320 5.923 2.382 1.00 0.00 H new ATOM 579 N LYS C 39 69.946 7.645 -1.285 1.00 0.00 N ATOM 580 CA LYS C 39 70.221 8.258 -2.580 1.00 0.00 C ATOM 581 C LYS C 39 69.110 7.934 -3.573 1.00 0.00 C ATOM 582 O LYS C 39 68.749 8.764 -4.408 1.00 0.00 O ATOM 583 CB LYS C 39 71.558 7.751 -3.124 1.00 0.00 C ATOM 584 CG LYS C 39 72.683 8.148 -2.166 1.00 0.00 C ATOM 585 CD LYS C 39 74.029 7.712 -2.750 1.00 0.00 C ATOM 586 CE LYS C 39 75.138 7.978 -1.731 1.00 0.00 C ATOM 587 NZ LYS C 39 75.435 6.725 -0.981 1.00 0.00 N ATOM 0 H LYS C 39 70.766 7.269 -0.809 1.00 0.00 H new ATOM 0 HA LYS C 39 70.269 9.339 -2.446 1.00 0.00 H new ATOM 0 HB2 LYS C 39 71.529 6.667 -3.238 1.00 0.00 H new ATOM 0 HB3 LYS C 39 71.743 8.171 -4.113 1.00 0.00 H new ATOM 0 HG2 LYS C 39 72.676 9.226 -2.007 1.00 0.00 H new ATOM 0 HG3 LYS C 39 72.528 7.681 -1.193 1.00 0.00 H new ATOM 0 HD2 LYS C 39 74.001 6.652 -3.004 1.00 0.00 H new ATOM 0 HD3 LYS C 39 74.230 8.256 -3.673 1.00 0.00 H new ATOM 0 HE2 LYS C 39 76.035 8.332 -2.238 1.00 0.00 H new ATOM 0 HE3 LYS C 39 74.831 8.764 -1.041 1.00 0.00 H new ATOM 0 HZ1 LYS C 39 76.189 6.906 -0.288 1.00 0.00 H new ATOM 0 HZ2 LYS C 39 74.578 6.406 -0.485 1.00 0.00 H new ATOM 0 HZ3 LYS C 39 75.745 5.988 -1.646 1.00 0.00 H new ATOM 601 N GLU C 40 68.571 6.723 -3.477 1.00 0.00 N ATOM 602 CA GLU C 40 67.501 6.300 -4.373 1.00 0.00 C ATOM 603 C GLU C 40 66.139 6.530 -3.727 1.00 0.00 C ATOM 604 O GLU C 40 65.186 6.938 -4.392 1.00 0.00 O ATOM 605 CB GLU C 40 67.661 4.817 -4.715 1.00 0.00 C ATOM 606 CG GLU C 40 69.029 4.587 -5.360 1.00 0.00 C ATOM 607 CD GLU C 40 70.098 4.452 -4.281 1.00 0.00 C ATOM 608 OE1 GLU C 40 69.748 4.527 -3.115 1.00 0.00 O ATOM 609 OE2 GLU C 40 71.252 4.275 -4.637 1.00 0.00 O ATOM 0 H GLU C 40 68.855 6.022 -2.793 1.00 0.00 H new ATOM 0 HA GLU C 40 67.563 6.892 -5.286 1.00 0.00 H new ATOM 0 HB2 GLU C 40 67.566 4.213 -3.813 1.00 0.00 H new ATOM 0 HB3 GLU C 40 66.869 4.502 -5.395 1.00 0.00 H new ATOM 0 HG2 GLU C 40 69.004 3.686 -5.974 1.00 0.00 H new ATOM 0 HG3 GLU C 40 69.272 5.418 -6.023 1.00 0.00 H new ATOM 616 N LEU C 41 66.053 6.266 -2.427 1.00 0.00 N ATOM 617 CA LEU C 41 64.802 6.449 -1.701 1.00 0.00 C ATOM 618 C LEU C 41 64.306 7.885 -1.840 1.00 0.00 C ATOM 619 O LEU C 41 63.236 8.131 -2.396 1.00 0.00 O ATOM 620 CB LEU C 41 65.004 6.117 -0.221 1.00 0.00 C ATOM 621 CG LEU C 41 65.739 4.783 -0.092 1.00 0.00 C ATOM 622 CD1 LEU C 41 64.721 3.647 0.020 1.00 0.00 C ATOM 623 CD2 LEU C 41 66.613 4.562 -1.329 1.00 0.00 C ATOM 0 H LEU C 41 66.829 5.927 -1.858 1.00 0.00 H new ATOM 0 HA LEU C 41 64.056 5.777 -2.125 1.00 0.00 H new ATOM 0 HB2 LEU C 41 65.576 6.908 0.265 1.00 0.00 H new ATOM 0 HB3 LEU C 41 64.040 6.063 0.285 1.00 0.00 H new ATOM 0 HG LEU C 41 66.365 4.799 0.800 1.00 0.00 H new ATOM 0 HD11 LEU C 41 65.246 2.696 0.112 1.00 0.00 H new ATOM 0 HD12 LEU C 41 64.097 3.803 0.900 1.00 0.00 H new ATOM 0 HD13 LEU C 41 64.094 3.631 -0.872 1.00 0.00 H new ATOM 0 HD21 LEU C 41 67.138 3.611 -1.238 1.00 0.00 H new ATOM 0 HD22 LEU C 41 65.985 4.547 -2.220 1.00 0.00 H new ATOM 0 HD23 LEU C 41 67.339 5.371 -1.411 1.00 0.00 H new ATOM 635 N GLY C 42 65.091 8.828 -1.330 1.00 0.00 N ATOM 636 CA GLY C 42 64.721 10.237 -1.403 1.00 0.00 C ATOM 637 C GLY C 42 64.141 10.577 -2.771 1.00 0.00 C ATOM 638 O GLY C 42 63.063 11.164 -2.870 1.00 0.00 O ATOM 0 H GLY C 42 65.980 8.645 -0.865 1.00 0.00 H new ATOM 0 HA2 GLY C 42 63.991 10.466 -0.627 1.00 0.00 H new ATOM 0 HA3 GLY C 42 65.596 10.857 -1.210 1.00 0.00 H new ATOM 642 N LYS C 43 64.862 10.205 -3.823 1.00 0.00 N ATOM 643 CA LYS C 43 64.408 10.477 -5.183 1.00 0.00 C ATOM 644 C LYS C 43 62.890 10.357 -5.275 1.00 0.00 C ATOM 645 O LYS C 43 62.230 11.184 -5.903 1.00 0.00 O ATOM 646 CB LYS C 43 65.060 9.493 -6.157 1.00 0.00 C ATOM 647 CG LYS C 43 64.900 10.010 -7.588 1.00 0.00 C ATOM 648 CD LYS C 43 65.515 9.006 -8.565 1.00 0.00 C ATOM 649 CE LYS C 43 65.431 9.561 -9.988 1.00 0.00 C ATOM 650 NZ LYS C 43 66.802 9.884 -10.477 1.00 0.00 N ATOM 0 H LYS C 43 65.756 9.718 -3.762 1.00 0.00 H new ATOM 0 HA LYS C 43 64.697 11.494 -5.446 1.00 0.00 H new ATOM 0 HB2 LYS C 43 66.117 9.374 -5.918 1.00 0.00 H new ATOM 0 HB3 LYS C 43 64.599 8.510 -6.060 1.00 0.00 H new ATOM 0 HG2 LYS C 43 63.844 10.157 -7.817 1.00 0.00 H new ATOM 0 HG3 LYS C 43 65.387 10.980 -7.692 1.00 0.00 H new ATOM 0 HD2 LYS C 43 66.554 8.814 -8.299 1.00 0.00 H new ATOM 0 HD3 LYS C 43 64.989 8.053 -8.503 1.00 0.00 H new ATOM 0 HE2 LYS C 43 64.961 8.831 -10.647 1.00 0.00 H new ATOM 0 HE3 LYS C 43 64.807 10.455 -10.005 1.00 0.00 H new ATOM 0 HZ1 LYS C 43 66.746 10.261 -11.444 1.00 0.00 H new ATOM 0 HZ2 LYS C 43 67.235 10.595 -9.853 1.00 0.00 H new ATOM 0 HZ3 LYS C 43 67.383 9.022 -10.475 1.00 0.00 H new ATOM 664 N VAL C 44 62.344 9.322 -4.645 1.00 0.00 N ATOM 665 CA VAL C 44 60.902 9.103 -4.663 1.00 0.00 C ATOM 666 C VAL C 44 60.198 10.102 -3.750 1.00 0.00 C ATOM 667 O VAL C 44 59.094 10.558 -4.048 1.00 0.00 O ATOM 668 CB VAL C 44 60.584 7.679 -4.207 1.00 0.00 C ATOM 669 CG1 VAL C 44 61.715 6.741 -4.632 1.00 0.00 C ATOM 670 CG2 VAL C 44 60.446 7.651 -2.683 1.00 0.00 C ATOM 0 H VAL C 44 62.873 8.626 -4.119 1.00 0.00 H new ATOM 0 HA VAL C 44 60.544 9.245 -5.683 1.00 0.00 H new ATOM 0 HB VAL C 44 59.650 7.352 -4.664 1.00 0.00 H new ATOM 0 HG11 VAL C 44 61.488 5.726 -4.306 1.00 0.00 H new ATOM 0 HG12 VAL C 44 61.815 6.760 -5.717 1.00 0.00 H new ATOM 0 HG13 VAL C 44 62.649 7.068 -4.176 1.00 0.00 H new ATOM 0 HG21 VAL C 44 60.219 6.636 -2.357 1.00 0.00 H new ATOM 0 HG22 VAL C 44 61.380 7.978 -2.227 1.00 0.00 H new ATOM 0 HG23 VAL C 44 59.640 8.319 -2.378 1.00 0.00 H new ATOM 680 N MET C 45 60.843 10.436 -2.637 1.00 0.00 N ATOM 681 CA MET C 45 60.268 11.381 -1.687 1.00 0.00 C ATOM 682 C MET C 45 59.812 12.649 -2.403 1.00 0.00 C ATOM 683 O MET C 45 58.634 13.005 -2.364 1.00 0.00 O ATOM 684 CB MET C 45 61.301 11.740 -0.618 1.00 0.00 C ATOM 685 CG MET C 45 61.351 10.633 0.436 1.00 0.00 C ATOM 686 SD MET C 45 61.819 9.071 -0.351 1.00 0.00 S ATOM 687 CE MET C 45 60.499 8.056 0.357 1.00 0.00 C ATOM 0 H MET C 45 61.757 10.069 -2.372 1.00 0.00 H new ATOM 0 HA MET C 45 59.404 10.913 -1.215 1.00 0.00 H new ATOM 0 HB2 MET C 45 62.283 11.867 -1.074 1.00 0.00 H new ATOM 0 HB3 MET C 45 61.041 12.690 -0.151 1.00 0.00 H new ATOM 0 HG2 MET C 45 62.069 10.890 1.215 1.00 0.00 H new ATOM 0 HG3 MET C 45 60.379 10.532 0.919 1.00 0.00 H new ATOM 0 HE1 MET C 45 60.627 7.021 0.041 1.00 0.00 H new ATOM 0 HE2 MET C 45 60.541 8.111 1.445 1.00 0.00 H new ATOM 0 HE3 MET C 45 59.533 8.424 0.012 1.00 0.00 H new ATOM 697 N ARG C 46 60.752 13.325 -3.055 1.00 0.00 N ATOM 698 CA ARG C 46 60.435 14.552 -3.776 1.00 0.00 C ATOM 699 C ARG C 46 59.099 14.419 -4.499 1.00 0.00 C ATOM 700 O ARG C 46 58.320 15.370 -4.564 1.00 0.00 O ATOM 701 CB ARG C 46 61.538 14.861 -4.790 1.00 0.00 C ATOM 702 CG ARG C 46 61.724 16.376 -4.897 1.00 0.00 C ATOM 703 CD ARG C 46 60.431 17.015 -5.407 1.00 0.00 C ATOM 704 NE ARG C 46 59.860 16.210 -6.481 1.00 0.00 N ATOM 705 CZ ARG C 46 58.670 16.499 -6.998 1.00 0.00 C ATOM 706 NH1 ARG C 46 57.992 17.519 -6.546 1.00 0.00 N ATOM 707 NH2 ARG C 46 58.180 15.764 -7.959 1.00 0.00 N ATOM 0 H ARG C 46 61.732 13.047 -3.099 1.00 0.00 H new ATOM 0 HA ARG C 46 60.365 15.367 -3.056 1.00 0.00 H new ATOM 0 HB2 ARG C 46 62.472 14.390 -4.482 1.00 0.00 H new ATOM 0 HB3 ARG C 46 61.278 14.446 -5.764 1.00 0.00 H new ATOM 0 HG2 ARG C 46 61.987 16.790 -3.924 1.00 0.00 H new ATOM 0 HG3 ARG C 46 62.547 16.605 -5.574 1.00 0.00 H new ATOM 0 HD2 ARG C 46 59.715 17.105 -4.590 1.00 0.00 H new ATOM 0 HD3 ARG C 46 60.633 18.024 -5.767 1.00 0.00 H new ATOM 0 HE ARG C 46 60.383 15.412 -6.841 1.00 0.00 H new ATOM 0 HH11 ARG C 46 58.375 18.094 -5.796 1.00 0.00 H new ATOM 0 HH12 ARG C 46 57.079 17.741 -6.943 1.00 0.00 H new ATOM 0 HH21 ARG C 46 58.710 14.968 -8.313 1.00 0.00 H new ATOM 0 HH22 ARG C 46 57.267 15.986 -8.356 1.00 0.00 H new ATOM 721 N MET C 47 58.840 13.234 -5.042 1.00 0.00 N ATOM 722 CA MET C 47 57.594 12.988 -5.758 1.00 0.00 C ATOM 723 C MET C 47 56.473 12.644 -4.782 1.00 0.00 C ATOM 724 O MET C 47 55.305 12.936 -5.037 1.00 0.00 O ATOM 725 CB MET C 47 57.780 11.838 -6.750 1.00 0.00 C ATOM 726 CG MET C 47 56.636 11.848 -7.765 1.00 0.00 C ATOM 727 SD MET C 47 56.639 10.295 -8.694 1.00 0.00 S ATOM 728 CE MET C 47 54.957 9.777 -8.275 1.00 0.00 C ATOM 0 H MET C 47 59.472 12.434 -5.000 1.00 0.00 H new ATOM 0 HA MET C 47 57.323 13.895 -6.299 1.00 0.00 H new ATOM 0 HB2 MET C 47 58.736 11.938 -7.263 1.00 0.00 H new ATOM 0 HB3 MET C 47 57.801 10.886 -6.219 1.00 0.00 H new ATOM 0 HG2 MET C 47 55.682 11.976 -7.253 1.00 0.00 H new ATOM 0 HG3 MET C 47 56.747 12.692 -8.446 1.00 0.00 H new ATOM 0 HE1 MET C 47 54.741 8.821 -8.752 1.00 0.00 H new ATOM 0 HE2 MET C 47 54.868 9.671 -7.194 1.00 0.00 H new ATOM 0 HE3 MET C 47 54.247 10.526 -8.626 1.00 0.00 H new ATOM 738 N LEU C 48 56.838 12.023 -3.665 1.00 0.00 N ATOM 739 CA LEU C 48 55.853 11.645 -2.658 1.00 0.00 C ATOM 740 C LEU C 48 55.282 12.883 -1.975 1.00 0.00 C ATOM 741 O LEU C 48 54.327 12.793 -1.203 1.00 0.00 O ATOM 742 CB LEU C 48 56.500 10.735 -1.612 1.00 0.00 C ATOM 743 CG LEU C 48 55.495 9.671 -1.169 1.00 0.00 C ATOM 744 CD1 LEU C 48 56.190 8.661 -0.254 1.00 0.00 C ATOM 745 CD2 LEU C 48 54.347 10.340 -0.410 1.00 0.00 C ATOM 0 H LEU C 48 57.800 11.773 -3.435 1.00 0.00 H new ATOM 0 HA LEU C 48 55.042 11.111 -3.153 1.00 0.00 H new ATOM 0 HB2 LEU C 48 57.389 10.260 -2.028 1.00 0.00 H new ATOM 0 HB3 LEU C 48 56.825 11.323 -0.754 1.00 0.00 H new ATOM 0 HG LEU C 48 55.101 9.156 -2.045 1.00 0.00 H new ATOM 0 HD11 LEU C 48 55.473 7.903 0.062 1.00 0.00 H new ATOM 0 HD12 LEU C 48 57.009 8.185 -0.793 1.00 0.00 H new ATOM 0 HD13 LEU C 48 56.584 9.175 0.623 1.00 0.00 H new ATOM 0 HD21 LEU C 48 53.630 9.583 -0.094 1.00 0.00 H new ATOM 0 HD22 LEU C 48 54.741 10.855 0.466 1.00 0.00 H new ATOM 0 HD23 LEU C 48 53.851 11.060 -1.061 1.00 0.00 H new ATOM 757 N GLY C 49 55.872 14.038 -2.265 1.00 0.00 N ATOM 758 CA GLY C 49 55.412 15.289 -1.672 1.00 0.00 C ATOM 759 C GLY C 49 56.279 15.677 -0.479 1.00 0.00 C ATOM 760 O GLY C 49 55.873 16.482 0.359 1.00 0.00 O ATOM 0 H GLY C 49 56.663 14.134 -2.902 1.00 0.00 H new ATOM 0 HA2 GLY C 49 55.439 16.082 -2.419 1.00 0.00 H new ATOM 0 HA3 GLY C 49 54.374 15.186 -1.354 1.00 0.00 H new ATOM 764 N GLN C 50 57.474 15.099 -0.409 1.00 0.00 N ATOM 765 CA GLN C 50 58.390 15.393 0.687 1.00 0.00 C ATOM 766 C GLN C 50 59.833 15.395 0.193 1.00 0.00 C ATOM 767 O GLN C 50 60.087 15.405 -1.012 1.00 0.00 O ATOM 768 CB GLN C 50 58.230 14.351 1.795 1.00 0.00 C ATOM 769 CG GLN C 50 58.437 15.017 3.157 1.00 0.00 C ATOM 770 CD GLN C 50 58.261 13.991 4.271 1.00 0.00 C ATOM 771 OE1 GLN C 50 57.828 12.794 3.982 1.00 0.00 O flip ATOM 772 NE2 GLN C 50 58.524 14.287 5.437 1.00 0.00 N flip ATOM 0 H GLN C 50 57.829 14.430 -1.092 1.00 0.00 H new ATOM 0 HA GLN C 50 58.151 16.381 1.080 1.00 0.00 H new ATOM 0 HB2 GLN C 50 57.238 13.901 1.745 1.00 0.00 H new ATOM 0 HB3 GLN C 50 58.952 13.546 1.659 1.00 0.00 H new ATOM 0 HG2 GLN C 50 59.434 15.455 3.209 1.00 0.00 H new ATOM 0 HG3 GLN C 50 57.724 15.831 3.285 1.00 0.00 H new ATOM 0 HE21 GLN C 50 58.862 15.223 5.662 1.00 0.00 H new ATOM 0 HE22 GLN C 50 58.404 13.597 6.178 1.00 0.00 H new ATOM 781 N ASN C 51 60.775 15.386 1.130 1.00 0.00 N ATOM 782 CA ASN C 51 62.190 15.387 0.778 1.00 0.00 C ATOM 783 C ASN C 51 63.054 15.282 2.030 1.00 0.00 C ATOM 784 O ASN C 51 63.545 16.287 2.545 1.00 0.00 O ATOM 785 CB ASN C 51 62.538 16.669 0.020 1.00 0.00 C ATOM 786 CG ASN C 51 64.044 16.906 0.061 1.00 0.00 C ATOM 787 OD1 ASN C 51 64.524 17.871 0.797 1.00 0.00 O flip ATOM 788 ND2 ASN C 51 64.804 16.193 -0.595 1.00 0.00 N flip ATOM 0 H ASN C 51 60.586 15.378 2.132 1.00 0.00 H new ATOM 0 HA ASN C 51 62.388 14.524 0.142 1.00 0.00 H new ATOM 0 HB2 ASN C 51 62.201 16.593 -1.014 1.00 0.00 H new ATOM 0 HB3 ASN C 51 62.016 17.517 0.464 1.00 0.00 H new ATOM 0 HD21 ASN C 51 64.427 15.439 -1.170 1.00 0.00 H new ATOM 0 HD22 ASN C 51 65.810 16.356 -0.564 1.00 0.00 H new ATOM 795 N PRO C 52 63.244 14.088 2.521 1.00 0.00 N ATOM 796 CA PRO C 52 64.066 13.837 3.739 1.00 0.00 C ATOM 797 C PRO C 52 65.560 13.993 3.467 1.00 0.00 C ATOM 798 O PRO C 52 66.002 13.927 2.320 1.00 0.00 O ATOM 799 CB PRO C 52 63.727 12.393 4.112 1.00 0.00 C ATOM 800 CG PRO C 52 63.295 11.744 2.839 1.00 0.00 C ATOM 801 CD PRO C 52 62.692 12.844 1.964 1.00 0.00 C ATOM 0 HA PRO C 52 63.848 14.550 4.534 1.00 0.00 H new ATOM 0 HB2 PRO C 52 64.592 11.884 4.538 1.00 0.00 H new ATOM 0 HB3 PRO C 52 62.935 12.356 4.860 1.00 0.00 H new ATOM 0 HG2 PRO C 52 64.141 11.273 2.339 1.00 0.00 H new ATOM 0 HG3 PRO C 52 62.563 10.960 3.034 1.00 0.00 H new ATOM 0 HD2 PRO C 52 62.970 12.718 0.918 1.00 0.00 H new ATOM 0 HD3 PRO C 52 61.603 12.836 2.008 1.00 0.00 H new ATOM 809 N THR C 53 66.331 14.201 4.529 1.00 0.00 N ATOM 810 CA THR C 53 67.774 14.365 4.393 1.00 0.00 C ATOM 811 C THR C 53 68.466 13.007 4.349 1.00 0.00 C ATOM 812 O THR C 53 67.878 11.986 4.705 1.00 0.00 O ATOM 813 CB THR C 53 68.320 15.181 5.567 1.00 0.00 C ATOM 814 OG1 THR C 53 67.365 15.191 6.619 1.00 0.00 O ATOM 815 CG2 THR C 53 68.596 16.614 5.111 1.00 0.00 C ATOM 0 H THR C 53 65.985 14.260 5.487 1.00 0.00 H new ATOM 0 HA THR C 53 67.974 14.892 3.460 1.00 0.00 H new ATOM 0 HB THR C 53 69.247 14.732 5.922 1.00 0.00 H new ATOM 0 HG1 THR C 53 67.714 15.712 7.372 1.00 0.00 H new ATOM 0 HG21 THR C 53 68.985 17.194 5.948 1.00 0.00 H new ATOM 0 HG22 THR C 53 69.329 16.604 4.305 1.00 0.00 H new ATOM 0 HG23 THR C 53 67.671 17.067 4.755 1.00 0.00 H new ATOM 823 N PRO C 54 69.698 12.983 3.920 1.00 0.00 N ATOM 824 CA PRO C 54 70.496 11.727 3.824 1.00 0.00 C ATOM 825 C PRO C 54 70.909 11.203 5.197 1.00 0.00 C ATOM 826 O PRO C 54 71.288 10.040 5.340 1.00 0.00 O ATOM 827 CB PRO C 54 71.721 12.136 3.004 1.00 0.00 C ATOM 828 CG PRO C 54 71.868 13.608 3.212 1.00 0.00 C ATOM 829 CD PRO C 54 70.466 14.158 3.479 1.00 0.00 C ATOM 0 HA PRO C 54 69.928 10.915 3.371 1.00 0.00 H new ATOM 0 HB2 PRO C 54 72.611 11.602 3.336 1.00 0.00 H new ATOM 0 HB3 PRO C 54 71.583 11.901 1.949 1.00 0.00 H new ATOM 0 HG2 PRO C 54 72.531 13.816 4.052 1.00 0.00 H new ATOM 0 HG3 PRO C 54 72.308 14.081 2.334 1.00 0.00 H new ATOM 0 HD2 PRO C 54 70.481 14.934 4.244 1.00 0.00 H new ATOM 0 HD3 PRO C 54 70.035 14.603 2.582 1.00 0.00 H new ATOM 837 N GLU C 55 70.832 12.068 6.203 1.00 0.00 N ATOM 838 CA GLU C 55 71.200 11.682 7.560 1.00 0.00 C ATOM 839 C GLU C 55 70.019 11.027 8.269 1.00 0.00 C ATOM 840 O GLU C 55 70.199 10.174 9.137 1.00 0.00 O ATOM 841 CB GLU C 55 71.653 12.911 8.349 1.00 0.00 C ATOM 842 CG GLU C 55 72.925 13.482 7.719 1.00 0.00 C ATOM 843 CD GLU C 55 73.401 14.695 8.512 1.00 0.00 C ATOM 844 OE1 GLU C 55 72.661 15.142 9.372 1.00 0.00 O ATOM 845 OE2 GLU C 55 74.498 15.158 8.246 1.00 0.00 O ATOM 0 H GLU C 55 70.520 13.034 6.106 1.00 0.00 H new ATOM 0 HA GLU C 55 72.019 10.965 7.504 1.00 0.00 H new ATOM 0 HB2 GLU C 55 70.866 13.665 8.352 1.00 0.00 H new ATOM 0 HB3 GLU C 55 71.839 12.641 9.388 1.00 0.00 H new ATOM 0 HG2 GLU C 55 73.705 12.721 7.700 1.00 0.00 H new ATOM 0 HG3 GLU C 55 72.732 13.766 6.685 1.00 0.00 H new ATOM 852 N GLU C 56 68.810 11.433 7.892 1.00 0.00 N ATOM 853 CA GLU C 56 67.606 10.879 8.498 1.00 0.00 C ATOM 854 C GLU C 56 67.095 9.692 7.688 1.00 0.00 C ATOM 855 O GLU C 56 66.686 8.675 8.249 1.00 0.00 O ATOM 856 CB GLU C 56 66.518 11.952 8.575 1.00 0.00 C ATOM 857 CG GLU C 56 65.340 11.429 9.398 1.00 0.00 C ATOM 858 CD GLU C 56 65.746 11.294 10.862 1.00 0.00 C ATOM 859 OE1 GLU C 56 66.670 11.980 11.265 1.00 0.00 O ATOM 860 OE2 GLU C 56 65.126 10.506 11.558 1.00 0.00 O ATOM 0 H GLU C 56 68.640 12.138 7.175 1.00 0.00 H new ATOM 0 HA GLU C 56 67.853 10.539 9.504 1.00 0.00 H new ATOM 0 HB2 GLU C 56 66.918 12.858 9.029 1.00 0.00 H new ATOM 0 HB3 GLU C 56 66.184 12.219 7.572 1.00 0.00 H new ATOM 0 HG2 GLU C 56 64.493 12.109 9.308 1.00 0.00 H new ATOM 0 HG3 GLU C 56 65.016 10.463 9.011 1.00 0.00 H new ATOM 867 N LEU C 57 67.121 9.828 6.366 1.00 0.00 N ATOM 868 CA LEU C 57 66.658 8.760 5.489 1.00 0.00 C ATOM 869 C LEU C 57 67.015 7.396 6.071 1.00 0.00 C ATOM 870 O LEU C 57 66.175 6.499 6.137 1.00 0.00 O ATOM 871 CB LEU C 57 67.294 8.908 4.105 1.00 0.00 C ATOM 872 CG LEU C 57 66.312 8.421 3.037 1.00 0.00 C ATOM 873 CD1 LEU C 57 65.870 6.994 3.363 1.00 0.00 C ATOM 874 CD2 LEU C 57 65.089 9.340 3.014 1.00 0.00 C ATOM 0 H LEU C 57 67.455 10.661 5.882 1.00 0.00 H new ATOM 0 HA LEU C 57 65.574 8.833 5.401 1.00 0.00 H new ATOM 0 HB2 LEU C 57 67.558 9.950 3.924 1.00 0.00 H new ATOM 0 HB3 LEU C 57 68.218 8.332 4.054 1.00 0.00 H new ATOM 0 HG LEU C 57 66.798 8.437 2.062 1.00 0.00 H new ATOM 0 HD11 LEU C 57 65.171 6.647 2.602 1.00 0.00 H new ATOM 0 HD12 LEU C 57 66.741 6.339 3.381 1.00 0.00 H new ATOM 0 HD13 LEU C 57 65.383 6.978 4.338 1.00 0.00 H new ATOM 0 HD21 LEU C 57 64.388 8.994 2.254 1.00 0.00 H new ATOM 0 HD22 LEU C 57 64.603 9.323 3.990 1.00 0.00 H new ATOM 0 HD23 LEU C 57 65.403 10.358 2.782 1.00 0.00 H new ATOM 886 N GLN C 58 68.267 7.247 6.492 1.00 0.00 N ATOM 887 CA GLN C 58 68.724 5.988 7.068 1.00 0.00 C ATOM 888 C GLN C 58 67.619 5.349 7.903 1.00 0.00 C ATOM 889 O GLN C 58 67.474 4.126 7.927 1.00 0.00 O ATOM 890 CB GLN C 58 69.954 6.230 7.945 1.00 0.00 C ATOM 891 CG GLN C 58 71.096 6.772 7.084 1.00 0.00 C ATOM 892 CD GLN C 58 72.299 7.102 7.961 1.00 0.00 C ATOM 893 OE1 GLN C 58 72.161 7.247 9.176 1.00 0.00 O ATOM 894 NE2 GLN C 58 73.477 7.231 7.416 1.00 0.00 N ATOM 0 H GLN C 58 68.978 7.977 6.446 1.00 0.00 H new ATOM 0 HA GLN C 58 68.986 5.312 6.254 1.00 0.00 H new ATOM 0 HB2 GLN C 58 69.715 6.938 8.738 1.00 0.00 H new ATOM 0 HB3 GLN C 58 70.258 5.301 8.428 1.00 0.00 H new ATOM 0 HG2 GLN C 58 71.376 6.035 6.331 1.00 0.00 H new ATOM 0 HG3 GLN C 58 70.768 7.664 6.551 1.00 0.00 H new ATOM 0 HE21 GLN C 58 73.589 7.110 6.409 1.00 0.00 H new ATOM 0 HE22 GLN C 58 74.286 7.452 7.996 1.00 0.00 H new ATOM 903 N GLU C 59 66.842 6.183 8.586 1.00 0.00 N ATOM 904 CA GLU C 59 65.752 5.688 9.419 1.00 0.00 C ATOM 905 C GLU C 59 64.834 4.776 8.612 1.00 0.00 C ATOM 906 O GLU C 59 64.350 3.763 9.117 1.00 0.00 O ATOM 907 CB GLU C 59 64.946 6.862 9.977 1.00 0.00 C ATOM 908 CG GLU C 59 63.887 6.339 10.948 1.00 0.00 C ATOM 909 CD GLU C 59 62.965 7.476 11.376 1.00 0.00 C ATOM 910 OE1 GLU C 59 63.142 8.575 10.878 1.00 0.00 O ATOM 911 OE2 GLU C 59 62.095 7.230 12.196 1.00 0.00 O ATOM 0 H GLU C 59 66.945 7.198 8.580 1.00 0.00 H new ATOM 0 HA GLU C 59 66.180 5.117 10.243 1.00 0.00 H new ATOM 0 HB2 GLU C 59 65.608 7.562 10.487 1.00 0.00 H new ATOM 0 HB3 GLU C 59 64.470 7.409 9.163 1.00 0.00 H new ATOM 0 HG2 GLU C 59 63.306 5.548 10.474 1.00 0.00 H new ATOM 0 HG3 GLU C 59 64.368 5.901 11.823 1.00 0.00 H new ATOM 918 N MET C 60 64.600 5.141 7.356 1.00 0.00 N ATOM 919 CA MET C 60 63.738 4.347 6.488 1.00 0.00 C ATOM 920 C MET C 60 64.373 2.991 6.200 1.00 0.00 C ATOM 921 O MET C 60 63.682 2.031 5.857 1.00 0.00 O ATOM 922 CB MET C 60 63.496 5.089 5.172 1.00 0.00 C ATOM 923 CG MET C 60 62.786 6.414 5.456 1.00 0.00 C ATOM 924 SD MET C 60 62.142 7.097 3.908 1.00 0.00 S ATOM 925 CE MET C 60 61.632 8.705 4.565 1.00 0.00 C ATOM 0 H MET C 60 64.992 5.975 6.919 1.00 0.00 H new ATOM 0 HA MET C 60 62.787 4.190 6.996 1.00 0.00 H new ATOM 0 HB2 MET C 60 64.444 5.273 4.667 1.00 0.00 H new ATOM 0 HB3 MET C 60 62.892 4.477 4.503 1.00 0.00 H new ATOM 0 HG2 MET C 60 61.972 6.258 6.164 1.00 0.00 H new ATOM 0 HG3 MET C 60 63.478 7.119 5.917 1.00 0.00 H new ATOM 0 HE1 MET C 60 61.149 9.283 3.777 1.00 0.00 H new ATOM 0 HE2 MET C 60 60.932 8.557 5.387 1.00 0.00 H new ATOM 0 HE3 MET C 60 62.507 9.244 4.927 1.00 0.00 H new ATOM 935 N ILE C 61 65.693 2.919 6.341 1.00 0.00 N ATOM 936 CA ILE C 61 66.411 1.674 6.093 1.00 0.00 C ATOM 937 C ILE C 61 66.711 0.959 7.406 1.00 0.00 C ATOM 938 O ILE C 61 66.568 -0.260 7.507 1.00 0.00 O ATOM 939 CB ILE C 61 67.720 1.964 5.357 1.00 0.00 C ATOM 940 CG1 ILE C 61 68.563 0.688 5.295 1.00 0.00 C ATOM 941 CG2 ILE C 61 68.497 3.050 6.104 1.00 0.00 C ATOM 942 CD1 ILE C 61 69.660 0.748 6.360 1.00 0.00 C ATOM 0 H ILE C 61 66.283 3.702 6.623 1.00 0.00 H new ATOM 0 HA ILE C 61 65.783 1.030 5.477 1.00 0.00 H new ATOM 0 HB ILE C 61 67.499 2.305 4.346 1.00 0.00 H new ATOM 0 HG12 ILE C 61 67.932 -0.186 5.457 1.00 0.00 H new ATOM 0 HG13 ILE C 61 69.008 0.581 4.306 1.00 0.00 H new ATOM 0 HG21 ILE C 61 69.430 3.256 5.579 1.00 0.00 H new ATOM 0 HG22 ILE C 61 67.898 3.959 6.150 1.00 0.00 H new ATOM 0 HG23 ILE C 61 68.718 2.709 7.116 1.00 0.00 H new ATOM 0 HD11 ILE C 61 70.260 -0.161 6.316 1.00 0.00 H new ATOM 0 HD12 ILE C 61 70.297 1.613 6.177 1.00 0.00 H new ATOM 0 HD13 ILE C 61 69.205 0.834 7.347 1.00 0.00 H new ATOM 954 N ASP C 62 67.128 1.724 8.409 1.00 0.00 N ATOM 955 CA ASP C 62 67.445 1.152 9.713 1.00 0.00 C ATOM 956 C ASP C 62 66.192 0.579 10.366 1.00 0.00 C ATOM 957 O ASP C 62 66.275 -0.184 11.328 1.00 0.00 O ATOM 958 CB ASP C 62 68.051 2.225 10.620 1.00 0.00 C ATOM 959 CG ASP C 62 68.572 1.588 11.904 1.00 0.00 C ATOM 960 OD1 ASP C 62 68.562 0.371 11.985 1.00 0.00 O ATOM 961 OD2 ASP C 62 68.974 2.327 12.788 1.00 0.00 O ATOM 0 H ASP C 62 67.254 2.734 8.346 1.00 0.00 H new ATOM 0 HA ASP C 62 68.166 0.347 9.570 1.00 0.00 H new ATOM 0 HB2 ASP C 62 68.863 2.735 10.102 1.00 0.00 H new ATOM 0 HB3 ASP C 62 67.301 2.979 10.857 1.00 0.00 H new ATOM 966 N GLU C 63 65.031 0.951 9.835 1.00 0.00 N ATOM 967 CA GLU C 63 63.766 0.468 10.375 1.00 0.00 C ATOM 968 C GLU C 63 63.545 -0.993 9.994 1.00 0.00 C ATOM 969 O GLU C 63 62.715 -1.681 10.589 1.00 0.00 O ATOM 970 CB GLU C 63 62.611 1.317 9.840 1.00 0.00 C ATOM 971 CG GLU C 63 62.410 2.534 10.744 1.00 0.00 C ATOM 972 CD GLU C 63 61.855 2.094 12.095 1.00 0.00 C ATOM 973 OE1 GLU C 63 61.369 0.978 12.178 1.00 0.00 O ATOM 974 OE2 GLU C 63 61.925 2.879 13.026 1.00 0.00 O ATOM 0 H GLU C 63 64.941 1.580 9.038 1.00 0.00 H new ATOM 0 HA GLU C 63 63.802 0.548 11.461 1.00 0.00 H new ATOM 0 HB2 GLU C 63 62.824 1.639 8.821 1.00 0.00 H new ATOM 0 HB3 GLU C 63 61.697 0.724 9.802 1.00 0.00 H new ATOM 0 HG2 GLU C 63 63.357 3.055 10.883 1.00 0.00 H new ATOM 0 HG3 GLU C 63 61.725 3.239 10.272 1.00 0.00 H new ATOM 981 N VAL C 64 64.292 -1.459 8.999 1.00 0.00 N ATOM 982 CA VAL C 64 64.169 -2.840 8.547 1.00 0.00 C ATOM 983 C VAL C 64 65.521 -3.376 8.088 1.00 0.00 C ATOM 984 O VAL C 64 65.637 -3.957 7.009 1.00 0.00 O ATOM 985 CB VAL C 64 63.167 -2.924 7.394 1.00 0.00 C ATOM 986 CG1 VAL C 64 61.770 -2.570 7.905 1.00 0.00 C ATOM 987 CG2 VAL C 64 63.572 -1.940 6.295 1.00 0.00 C ATOM 0 H VAL C 64 64.984 -0.906 8.493 1.00 0.00 H new ATOM 0 HA VAL C 64 63.815 -3.446 9.381 1.00 0.00 H new ATOM 0 HB VAL C 64 63.160 -3.937 6.991 1.00 0.00 H new ATOM 0 HG11 VAL C 64 61.056 -2.630 7.083 1.00 0.00 H new ATOM 0 HG12 VAL C 64 61.481 -3.270 8.689 1.00 0.00 H new ATOM 0 HG13 VAL C 64 61.776 -1.557 8.308 1.00 0.00 H new ATOM 0 HG21 VAL C 64 62.859 -1.999 5.473 1.00 0.00 H new ATOM 0 HG22 VAL C 64 63.579 -0.927 6.698 1.00 0.00 H new ATOM 0 HG23 VAL C 64 64.568 -2.192 5.930 1.00 0.00 H new ATOM 997 N ASP C 65 66.542 -3.177 8.916 1.00 0.00 N ATOM 998 CA ASP C 65 67.883 -3.645 8.585 1.00 0.00 C ATOM 999 C ASP C 65 68.319 -4.746 9.547 1.00 0.00 C ATOM 1000 O ASP C 65 68.990 -4.483 10.545 1.00 0.00 O ATOM 1001 CB ASP C 65 68.875 -2.482 8.656 1.00 0.00 C ATOM 1002 CG ASP C 65 70.256 -2.946 8.206 1.00 0.00 C ATOM 1003 OD1 ASP C 65 70.411 -4.132 7.964 1.00 0.00 O ATOM 1004 OD2 ASP C 65 71.138 -2.109 8.111 1.00 0.00 O ATOM 0 H ASP C 65 66.468 -2.699 9.814 1.00 0.00 H new ATOM 0 HA ASP C 65 67.867 -4.048 7.572 1.00 0.00 H new ATOM 0 HB2 ASP C 65 68.533 -1.663 8.023 1.00 0.00 H new ATOM 0 HB3 ASP C 65 68.925 -2.098 9.675 1.00 0.00 H new ATOM 1009 N GLU C 66 67.932 -5.980 9.239 1.00 0.00 N ATOM 1010 CA GLU C 66 68.289 -7.115 10.084 1.00 0.00 C ATOM 1011 C GLU C 66 69.459 -7.885 9.480 1.00 0.00 C ATOM 1012 O GLU C 66 69.537 -9.108 9.599 1.00 0.00 O ATOM 1013 CB GLU C 66 67.087 -8.048 10.239 1.00 0.00 C ATOM 1014 CG GLU C 66 66.811 -8.752 8.909 1.00 0.00 C ATOM 1015 CD GLU C 66 65.512 -9.546 8.999 1.00 0.00 C ATOM 1016 OE1 GLU C 66 64.960 -9.620 10.085 1.00 0.00 O ATOM 1017 OE2 GLU C 66 65.088 -10.067 7.981 1.00 0.00 O ATOM 0 H GLU C 66 67.376 -6.219 8.418 1.00 0.00 H new ATOM 0 HA GLU C 66 68.584 -6.737 11.063 1.00 0.00 H new ATOM 0 HB2 GLU C 66 67.283 -8.784 11.018 1.00 0.00 H new ATOM 0 HB3 GLU C 66 66.210 -7.480 10.551 1.00 0.00 H new ATOM 0 HG2 GLU C 66 66.743 -8.017 8.107 1.00 0.00 H new ATOM 0 HG3 GLU C 66 67.638 -9.418 8.662 1.00 0.00 H new ATOM 1024 N ASP C 67 70.367 -7.161 8.834 1.00 0.00 N ATOM 1025 CA ASP C 67 71.530 -7.787 8.215 1.00 0.00 C ATOM 1026 C ASP C 67 72.793 -6.989 8.520 1.00 0.00 C ATOM 1027 O ASP C 67 73.901 -7.524 8.485 1.00 0.00 O ATOM 1028 CB ASP C 67 71.332 -7.876 6.701 1.00 0.00 C ATOM 1029 CG ASP C 67 71.149 -6.480 6.116 1.00 0.00 C ATOM 1030 OD1 ASP C 67 71.562 -5.530 6.761 1.00 0.00 O ATOM 1031 OD2 ASP C 67 70.599 -6.380 5.032 1.00 0.00 O ATOM 0 H ASP C 67 70.321 -6.148 8.726 1.00 0.00 H new ATOM 0 HA ASP C 67 71.641 -8.791 8.625 1.00 0.00 H new ATOM 0 HB2 ASP C 67 72.193 -8.362 6.241 1.00 0.00 H new ATOM 0 HB3 ASP C 67 70.461 -8.491 6.475 1.00 0.00 H new ATOM 1036 N GLY C 68 72.618 -5.705 8.817 1.00 0.00 N ATOM 1037 CA GLY C 68 73.752 -4.842 9.126 1.00 0.00 C ATOM 1038 C GLY C 68 74.458 -4.393 7.851 1.00 0.00 C ATOM 1039 O GLY C 68 75.585 -3.899 7.895 1.00 0.00 O ATOM 0 H GLY C 68 71.710 -5.242 8.850 1.00 0.00 H new ATOM 0 HA2 GLY C 68 73.409 -3.970 9.683 1.00 0.00 H new ATOM 0 HA3 GLY C 68 74.455 -5.374 9.767 1.00 0.00 H new ATOM 1043 N SER C 69 73.787 -4.566 6.717 1.00 0.00 N ATOM 1044 CA SER C 69 74.360 -4.175 5.435 1.00 0.00 C ATOM 1045 C SER C 69 74.226 -2.670 5.225 1.00 0.00 C ATOM 1046 O SER C 69 75.131 -2.024 4.697 1.00 0.00 O ATOM 1047 CB SER C 69 73.653 -4.915 4.299 1.00 0.00 C ATOM 1048 OG SER C 69 72.443 -4.241 3.982 1.00 0.00 O ATOM 0 H SER C 69 72.853 -4.971 6.660 1.00 0.00 H new ATOM 0 HA SER C 69 75.418 -4.438 5.436 1.00 0.00 H new ATOM 0 HB2 SER C 69 74.298 -4.960 3.422 1.00 0.00 H new ATOM 0 HB3 SER C 69 73.444 -5.943 4.594 1.00 0.00 H new ATOM 0 HG SER C 69 71.685 -4.847 4.119 1.00 0.00 H new ATOM 1054 N GLY C 70 73.091 -2.119 5.641 1.00 0.00 N ATOM 1055 CA GLY C 70 72.848 -0.688 5.493 1.00 0.00 C ATOM 1056 C GLY C 70 71.803 -0.422 4.416 1.00 0.00 C ATOM 1057 O GLY C 70 71.013 0.516 4.522 1.00 0.00 O ATOM 0 H GLY C 70 72.330 -2.637 6.080 1.00 0.00 H new ATOM 0 HA2 GLY C 70 72.511 -0.272 6.443 1.00 0.00 H new ATOM 0 HA3 GLY C 70 73.778 -0.182 5.235 1.00 0.00 H new ATOM 1061 N THR C 71 71.804 -1.253 3.379 1.00 0.00 N ATOM 1062 CA THR C 71 70.850 -1.098 2.287 1.00 0.00 C ATOM 1063 C THR C 71 69.678 -2.059 2.458 1.00 0.00 C ATOM 1064 O THR C 71 69.838 -3.160 2.985 1.00 0.00 O ATOM 1065 CB THR C 71 71.541 -1.366 0.947 1.00 0.00 C ATOM 1066 OG1 THR C 71 71.551 -2.764 0.694 1.00 0.00 O ATOM 1067 CG2 THR C 71 72.977 -0.843 0.998 1.00 0.00 C ATOM 0 H THR C 71 72.450 -2.035 3.272 1.00 0.00 H new ATOM 0 HA THR C 71 70.472 -0.076 2.303 1.00 0.00 H new ATOM 0 HB THR C 71 71.001 -0.856 0.149 1.00 0.00 H new ATOM 0 HG1 THR C 71 72.243 -2.972 0.032 1.00 0.00 H new ATOM 0 HG21 THR C 71 73.468 -1.034 0.044 1.00 0.00 H new ATOM 0 HG22 THR C 71 72.967 0.229 1.192 1.00 0.00 H new ATOM 0 HG23 THR C 71 73.521 -1.351 1.794 1.00 0.00 H new ATOM 1075 N VAL C 72 68.501 -1.635 2.010 1.00 0.00 N ATOM 1076 CA VAL C 72 67.309 -2.468 2.120 1.00 0.00 C ATOM 1077 C VAL C 72 67.101 -3.276 0.843 1.00 0.00 C ATOM 1078 O VAL C 72 67.475 -2.842 -0.246 1.00 0.00 O ATOM 1079 CB VAL C 72 66.082 -1.591 2.376 1.00 0.00 C ATOM 1080 CG1 VAL C 72 66.478 -0.117 2.279 1.00 0.00 C ATOM 1081 CG2 VAL C 72 65.009 -1.900 1.330 1.00 0.00 C ATOM 0 H VAL C 72 68.347 -0.727 1.571 1.00 0.00 H new ATOM 0 HA VAL C 72 67.445 -3.156 2.954 1.00 0.00 H new ATOM 0 HB VAL C 72 65.690 -1.796 3.372 1.00 0.00 H new ATOM 0 HG11 VAL C 72 65.603 0.507 2.461 1.00 0.00 H new ATOM 0 HG12 VAL C 72 67.243 0.104 3.023 1.00 0.00 H new ATOM 0 HG13 VAL C 72 66.870 0.090 1.283 1.00 0.00 H new ATOM 0 HG21 VAL C 72 64.134 -1.276 1.511 1.00 0.00 H new ATOM 0 HG22 VAL C 72 65.402 -1.694 0.334 1.00 0.00 H new ATOM 0 HG23 VAL C 72 64.726 -2.950 1.398 1.00 0.00 H new ATOM 1091 N ASP C 73 66.502 -4.454 0.986 1.00 0.00 N ATOM 1092 CA ASP C 73 66.250 -5.316 -0.164 1.00 0.00 C ATOM 1093 C ASP C 73 64.805 -5.806 -0.159 1.00 0.00 C ATOM 1094 O ASP C 73 64.005 -5.402 0.685 1.00 0.00 O ATOM 1095 CB ASP C 73 67.198 -6.516 -0.135 1.00 0.00 C ATOM 1096 CG ASP C 73 68.638 -6.047 -0.314 1.00 0.00 C ATOM 1097 OD1 ASP C 73 68.829 -4.993 -0.897 1.00 0.00 O ATOM 1098 OD2 ASP C 73 69.529 -6.749 0.135 1.00 0.00 O ATOM 0 H ASP C 73 66.184 -4.831 1.879 1.00 0.00 H new ATOM 0 HA ASP C 73 66.423 -4.739 -1.072 1.00 0.00 H new ATOM 0 HB2 ASP C 73 67.095 -7.049 0.810 1.00 0.00 H new ATOM 0 HB3 ASP C 73 66.934 -7.218 -0.926 1.00 0.00 H new ATOM 1103 N PHE C 74 64.479 -6.678 -1.107 1.00 0.00 N ATOM 1104 CA PHE C 74 63.127 -7.217 -1.202 1.00 0.00 C ATOM 1105 C PHE C 74 62.727 -7.895 0.104 1.00 0.00 C ATOM 1106 O PHE C 74 61.546 -8.136 0.353 1.00 0.00 O ATOM 1107 CB PHE C 74 63.047 -8.226 -2.349 1.00 0.00 C ATOM 1108 CG PHE C 74 63.939 -9.406 -2.045 1.00 0.00 C ATOM 1109 CD1 PHE C 74 65.292 -9.371 -2.403 1.00 0.00 C ATOM 1110 CD2 PHE C 74 63.413 -10.534 -1.404 1.00 0.00 C ATOM 1111 CE1 PHE C 74 66.119 -10.465 -2.120 1.00 0.00 C ATOM 1112 CE2 PHE C 74 64.241 -11.628 -1.121 1.00 0.00 C ATOM 1113 CZ PHE C 74 65.594 -11.593 -1.480 1.00 0.00 C ATOM 0 H PHE C 74 65.126 -7.024 -1.815 1.00 0.00 H new ATOM 0 HA PHE C 74 62.440 -6.393 -1.395 1.00 0.00 H new ATOM 0 HB2 PHE C 74 62.018 -8.559 -2.483 1.00 0.00 H new ATOM 0 HB3 PHE C 74 63.354 -7.756 -3.283 1.00 0.00 H new ATOM 0 HD1 PHE C 74 65.698 -8.501 -2.897 1.00 0.00 H new ATOM 0 HD2 PHE C 74 62.369 -10.561 -1.128 1.00 0.00 H new ATOM 0 HE1 PHE C 74 67.163 -10.438 -2.396 1.00 0.00 H new ATOM 0 HE2 PHE C 74 63.836 -12.498 -0.626 1.00 0.00 H new ATOM 0 HZ PHE C 74 66.232 -12.437 -1.263 1.00 0.00 H new ATOM 1123 N ASP C 75 63.719 -8.200 0.934 1.00 0.00 N ATOM 1124 CA ASP C 75 63.458 -8.851 2.213 1.00 0.00 C ATOM 1125 C ASP C 75 63.161 -7.814 3.291 1.00 0.00 C ATOM 1126 O ASP C 75 62.213 -7.960 4.063 1.00 0.00 O ATOM 1127 CB ASP C 75 64.669 -9.689 2.629 1.00 0.00 C ATOM 1128 CG ASP C 75 64.371 -10.426 3.930 1.00 0.00 C ATOM 1129 OD1 ASP C 75 63.219 -10.434 4.333 1.00 0.00 O ATOM 1130 OD2 ASP C 75 65.299 -10.970 4.506 1.00 0.00 O ATOM 0 H ASP C 75 64.703 -8.009 0.747 1.00 0.00 H new ATOM 0 HA ASP C 75 62.589 -9.499 2.099 1.00 0.00 H new ATOM 0 HB2 ASP C 75 64.913 -10.404 1.844 1.00 0.00 H new ATOM 0 HB3 ASP C 75 65.540 -9.046 2.757 1.00 0.00 H new ATOM 1135 N GLU C 76 63.977 -6.766 3.338 1.00 0.00 N ATOM 1136 CA GLU C 76 63.792 -5.709 4.325 1.00 0.00 C ATOM 1137 C GLU C 76 62.718 -4.729 3.865 1.00 0.00 C ATOM 1138 O GLU C 76 61.983 -4.170 4.680 1.00 0.00 O ATOM 1139 CB GLU C 76 65.108 -4.961 4.544 1.00 0.00 C ATOM 1140 CG GLU C 76 66.151 -5.920 5.120 1.00 0.00 C ATOM 1141 CD GLU C 76 67.490 -5.206 5.269 1.00 0.00 C ATOM 1142 OE1 GLU C 76 67.557 -4.037 4.926 1.00 0.00 O ATOM 1143 OE2 GLU C 76 68.429 -5.838 5.723 1.00 0.00 O ATOM 0 H GLU C 76 64.768 -6.626 2.709 1.00 0.00 H new ATOM 0 HA GLU C 76 63.474 -6.165 5.263 1.00 0.00 H new ATOM 0 HB2 GLU C 76 65.463 -4.545 3.601 1.00 0.00 H new ATOM 0 HB3 GLU C 76 64.954 -4.124 5.224 1.00 0.00 H new ATOM 0 HG2 GLU C 76 65.819 -6.293 6.089 1.00 0.00 H new ATOM 0 HG3 GLU C 76 66.262 -6.785 4.466 1.00 0.00 H new ATOM 1150 N PHE C 77 62.632 -4.525 2.555 1.00 0.00 N ATOM 1151 CA PHE C 77 61.644 -3.610 1.997 1.00 0.00 C ATOM 1152 C PHE C 77 60.231 -4.118 2.265 1.00 0.00 C ATOM 1153 O PHE C 77 59.451 -3.473 2.965 1.00 0.00 O ATOM 1154 CB PHE C 77 61.859 -3.465 0.489 1.00 0.00 C ATOM 1155 CG PHE C 77 60.852 -2.489 -0.072 1.00 0.00 C ATOM 1156 CD1 PHE C 77 59.569 -2.929 -0.419 1.00 0.00 C ATOM 1157 CD2 PHE C 77 61.202 -1.145 -0.245 1.00 0.00 C ATOM 1158 CE1 PHE C 77 58.636 -2.025 -0.939 1.00 0.00 C ATOM 1159 CE2 PHE C 77 60.269 -0.240 -0.766 1.00 0.00 C ATOM 1160 CZ PHE C 77 58.986 -0.680 -1.113 1.00 0.00 C ATOM 0 H PHE C 77 63.230 -4.978 1.864 1.00 0.00 H new ATOM 0 HA PHE C 77 61.765 -2.638 2.476 1.00 0.00 H new ATOM 0 HB2 PHE C 77 62.872 -3.115 0.287 1.00 0.00 H new ATOM 0 HB3 PHE C 77 61.753 -4.434 0.001 1.00 0.00 H new ATOM 0 HD1 PHE C 77 59.299 -3.966 -0.285 1.00 0.00 H new ATOM 0 HD2 PHE C 77 62.192 -0.806 0.023 1.00 0.00 H new ATOM 0 HE1 PHE C 77 57.646 -2.364 -1.206 1.00 0.00 H new ATOM 0 HE2 PHE C 77 60.539 0.797 -0.900 1.00 0.00 H new ATOM 0 HZ PHE C 77 58.266 0.018 -1.515 1.00 0.00 H new ATOM 1170 N LEU C 78 59.908 -5.279 1.703 1.00 0.00 N ATOM 1171 CA LEU C 78 58.586 -5.864 1.888 1.00 0.00 C ATOM 1172 C LEU C 78 58.081 -5.611 3.305 1.00 0.00 C ATOM 1173 O LEU C 78 56.949 -5.170 3.502 1.00 0.00 O ATOM 1174 CB LEU C 78 58.640 -7.370 1.625 1.00 0.00 C ATOM 1175 CG LEU C 78 59.824 -7.978 2.378 1.00 0.00 C ATOM 1176 CD1 LEU C 78 59.451 -8.168 3.849 1.00 0.00 C ATOM 1177 CD2 LEU C 78 60.175 -9.335 1.764 1.00 0.00 C ATOM 0 H LEU C 78 60.539 -5.829 1.120 1.00 0.00 H new ATOM 0 HA LEU C 78 57.900 -5.396 1.181 1.00 0.00 H new ATOM 0 HB2 LEU C 78 57.711 -7.840 1.947 1.00 0.00 H new ATOM 0 HB3 LEU C 78 58.739 -7.560 0.556 1.00 0.00 H new ATOM 0 HG LEU C 78 60.682 -7.310 2.304 1.00 0.00 H new ATOM 0 HD11 LEU C 78 60.295 -8.601 4.385 1.00 0.00 H new ATOM 0 HD12 LEU C 78 59.199 -7.203 4.288 1.00 0.00 H new ATOM 0 HD13 LEU C 78 58.593 -8.836 3.923 1.00 0.00 H new ATOM 0 HD21 LEU C 78 61.019 -9.769 2.300 1.00 0.00 H new ATOM 0 HD22 LEU C 78 59.316 -10.001 1.839 1.00 0.00 H new ATOM 0 HD23 LEU C 78 60.441 -9.202 0.715 1.00 0.00 H new ATOM 1189 N VAL C 79 58.929 -5.894 4.289 1.00 0.00 N ATOM 1190 CA VAL C 79 58.558 -5.693 5.685 1.00 0.00 C ATOM 1191 C VAL C 79 58.197 -4.233 5.939 1.00 0.00 C ATOM 1192 O VAL C 79 57.240 -3.935 6.653 1.00 0.00 O ATOM 1193 CB VAL C 79 59.716 -6.100 6.597 1.00 0.00 C ATOM 1194 CG1 VAL C 79 59.510 -5.494 7.986 1.00 0.00 C ATOM 1195 CG2 VAL C 79 59.762 -7.626 6.710 1.00 0.00 C ATOM 0 H VAL C 79 59.870 -6.260 4.147 1.00 0.00 H new ATOM 0 HA VAL C 79 57.689 -6.314 5.903 1.00 0.00 H new ATOM 0 HB VAL C 79 60.654 -5.736 6.177 1.00 0.00 H new ATOM 0 HG11 VAL C 79 60.336 -5.784 8.636 1.00 0.00 H new ATOM 0 HG12 VAL C 79 59.475 -4.407 7.907 1.00 0.00 H new ATOM 0 HG13 VAL C 79 58.572 -5.858 8.406 1.00 0.00 H new ATOM 0 HG21 VAL C 79 60.587 -7.918 7.360 1.00 0.00 H new ATOM 0 HG22 VAL C 79 58.824 -7.988 7.130 1.00 0.00 H new ATOM 0 HG23 VAL C 79 59.908 -8.060 5.721 1.00 0.00 H new ATOM 1205 N MET C 80 58.970 -3.327 5.349 1.00 0.00 N ATOM 1206 CA MET C 80 58.723 -1.899 5.519 1.00 0.00 C ATOM 1207 C MET C 80 57.293 -1.552 5.118 1.00 0.00 C ATOM 1208 O MET C 80 56.783 -0.486 5.464 1.00 0.00 O ATOM 1209 CB MET C 80 59.705 -1.095 4.664 1.00 0.00 C ATOM 1210 CG MET C 80 59.642 0.380 5.067 1.00 0.00 C ATOM 1211 SD MET C 80 60.621 0.638 6.567 1.00 0.00 S ATOM 1212 CE MET C 80 59.857 2.199 7.070 1.00 0.00 C ATOM 0 H MET C 80 59.767 -3.553 4.753 1.00 0.00 H new ATOM 0 HA MET C 80 58.865 -1.646 6.570 1.00 0.00 H new ATOM 0 HB2 MET C 80 60.717 -1.477 4.797 1.00 0.00 H new ATOM 0 HB3 MET C 80 59.459 -1.205 3.608 1.00 0.00 H new ATOM 0 HG2 MET C 80 60.023 1.005 4.259 1.00 0.00 H new ATOM 0 HG3 MET C 80 58.608 0.677 5.239 1.00 0.00 H new ATOM 0 HE1 MET C 80 60.318 2.549 7.994 1.00 0.00 H new ATOM 0 HE2 MET C 80 60.002 2.944 6.287 1.00 0.00 H new ATOM 0 HE3 MET C 80 58.790 2.046 7.233 1.00 0.00 H new ATOM 1222 N MET C 81 56.652 -2.458 4.387 1.00 0.00 N ATOM 1223 CA MET C 81 55.280 -2.235 3.945 1.00 0.00 C ATOM 1224 C MET C 81 54.291 -2.793 4.964 1.00 0.00 C ATOM 1225 O MET C 81 53.317 -2.133 5.324 1.00 0.00 O ATOM 1226 CB MET C 81 55.053 -2.907 2.589 1.00 0.00 C ATOM 1227 CG MET C 81 55.563 -1.993 1.474 1.00 0.00 C ATOM 1228 SD MET C 81 57.014 -1.082 2.058 1.00 0.00 S ATOM 1229 CE MET C 81 56.353 0.584 1.803 1.00 0.00 C ATOM 0 H MET C 81 57.056 -3.346 4.090 1.00 0.00 H new ATOM 0 HA MET C 81 55.118 -1.161 3.850 1.00 0.00 H new ATOM 0 HB2 MET C 81 55.572 -3.865 2.555 1.00 0.00 H new ATOM 0 HB3 MET C 81 53.992 -3.114 2.447 1.00 0.00 H new ATOM 0 HG2 MET C 81 55.820 -2.583 0.594 1.00 0.00 H new ATOM 0 HG3 MET C 81 54.780 -1.297 1.173 1.00 0.00 H new ATOM 0 HE1 MET C 81 57.175 1.298 1.756 1.00 0.00 H new ATOM 0 HE2 MET C 81 55.793 0.614 0.869 1.00 0.00 H new ATOM 0 HE3 MET C 81 55.693 0.844 2.630 1.00 0.00 H new ATOM 1239 N VAL C 82 54.549 -4.013 5.424 1.00 0.00 N ATOM 1240 CA VAL C 82 53.674 -4.650 6.402 1.00 0.00 C ATOM 1241 C VAL C 82 53.581 -3.805 7.668 1.00 0.00 C ATOM 1242 O VAL C 82 52.507 -3.662 8.253 1.00 0.00 O ATOM 1243 CB VAL C 82 54.207 -6.040 6.752 1.00 0.00 C ATOM 1244 CG1 VAL C 82 54.863 -6.662 5.518 1.00 0.00 C ATOM 1245 CG2 VAL C 82 55.242 -5.921 7.873 1.00 0.00 C ATOM 0 H VAL C 82 55.350 -4.576 5.138 1.00 0.00 H new ATOM 0 HA VAL C 82 52.679 -4.742 5.966 1.00 0.00 H new ATOM 0 HB VAL C 82 53.383 -6.672 7.082 1.00 0.00 H new ATOM 0 HG11 VAL C 82 55.243 -7.653 5.768 1.00 0.00 H new ATOM 0 HG12 VAL C 82 54.127 -6.747 4.718 1.00 0.00 H new ATOM 0 HG13 VAL C 82 55.687 -6.030 5.187 1.00 0.00 H new ATOM 0 HG21 VAL C 82 55.623 -6.911 8.123 1.00 0.00 H new ATOM 0 HG22 VAL C 82 56.066 -5.289 7.542 1.00 0.00 H new ATOM 0 HG23 VAL C 82 54.776 -5.478 8.753 1.00 0.00 H new ATOM 1255 N ARG C 83 54.712 -3.247 8.085 1.00 0.00 N ATOM 1256 CA ARG C 83 54.747 -2.417 9.284 1.00 0.00 C ATOM 1257 C ARG C 83 53.813 -1.221 9.134 1.00 0.00 C ATOM 1258 O ARG C 83 53.256 -0.729 10.116 1.00 0.00 O ATOM 1259 CB ARG C 83 56.173 -1.925 9.538 1.00 0.00 C ATOM 1260 CG ARG C 83 56.239 -1.228 10.898 1.00 0.00 C ATOM 1261 CD ARG C 83 56.484 -2.267 11.994 1.00 0.00 C ATOM 1262 NE ARG C 83 56.561 -1.618 13.297 1.00 0.00 N ATOM 1263 CZ ARG C 83 57.173 -2.203 14.321 1.00 0.00 C ATOM 1264 NH1 ARG C 83 57.719 -3.379 14.170 1.00 0.00 N ATOM 1265 NH2 ARG C 83 57.229 -1.602 15.478 1.00 0.00 N ATOM 0 H ARG C 83 55.611 -3.353 7.615 1.00 0.00 H new ATOM 0 HA ARG C 83 54.415 -3.019 10.130 1.00 0.00 H new ATOM 0 HB2 ARG C 83 56.868 -2.764 9.514 1.00 0.00 H new ATOM 0 HB3 ARG C 83 56.477 -1.236 8.750 1.00 0.00 H new ATOM 0 HG2 ARG C 83 57.038 -0.487 10.900 1.00 0.00 H new ATOM 0 HG3 ARG C 83 55.308 -0.694 11.090 1.00 0.00 H new ATOM 0 HD2 ARG C 83 55.680 -3.003 11.993 1.00 0.00 H new ATOM 0 HD3 ARG C 83 57.410 -2.806 11.793 1.00 0.00 H new ATOM 0 HE ARG C 83 56.138 -0.699 13.425 1.00 0.00 H new ATOM 0 HH11 ARG C 83 57.676 -3.849 13.266 1.00 0.00 H new ATOM 0 HH12 ARG C 83 58.189 -3.828 14.956 1.00 0.00 H new ATOM 0 HH21 ARG C 83 56.803 -0.683 15.596 1.00 0.00 H new ATOM 0 HH22 ARG C 83 57.699 -2.051 16.264 1.00 0.00 H new ATOM 1279 N CYS C 84 53.647 -0.757 7.900 1.00 0.00 N ATOM 1280 CA CYS C 84 52.778 0.383 7.634 1.00 0.00 C ATOM 1281 C CYS C 84 51.537 -0.057 6.862 1.00 0.00 C ATOM 1282 O CYS C 84 51.104 0.618 5.928 1.00 0.00 O ATOM 1283 CB CYS C 84 53.535 1.440 6.827 1.00 0.00 C ATOM 1284 SG CYS C 84 54.736 2.269 7.896 1.00 0.00 S ATOM 0 H CYS C 84 54.099 -1.149 7.074 1.00 0.00 H new ATOM 0 HA CYS C 84 52.467 0.809 8.588 1.00 0.00 H new ATOM 0 HB2 CYS C 84 54.044 0.973 5.984 1.00 0.00 H new ATOM 0 HB3 CYS C 84 52.836 2.168 6.415 1.00 0.00 H new ATOM 0 HG CYS C 84 55.381 3.166 7.210 1.00 0.00 H new ATOM 1290 N MET C 85 50.971 -1.191 7.260 1.00 0.00 N ATOM 1291 CA MET C 85 49.780 -1.712 6.598 1.00 0.00 C ATOM 1292 C MET C 85 48.639 -0.703 6.677 1.00 0.00 C ATOM 1293 O MET C 85 48.332 -0.021 5.699 1.00 0.00 O ATOM 1294 CB MET C 85 49.349 -3.024 7.256 1.00 0.00 C ATOM 1295 CG MET C 85 48.526 -3.847 6.263 1.00 0.00 C ATOM 1296 SD MET C 85 47.828 -5.288 7.107 1.00 0.00 S ATOM 1297 CE MET C 85 47.087 -6.067 5.651 1.00 0.00 C ATOM 0 H MET C 85 51.314 -1.763 8.031 1.00 0.00 H new ATOM 0 HA MET C 85 50.019 -1.892 5.550 1.00 0.00 H new ATOM 0 HB2 MET C 85 50.225 -3.589 7.574 1.00 0.00 H new ATOM 0 HB3 MET C 85 48.760 -2.819 8.150 1.00 0.00 H new ATOM 0 HG2 MET C 85 47.727 -3.236 5.842 1.00 0.00 H new ATOM 0 HG3 MET C 85 49.154 -4.168 5.432 1.00 0.00 H new ATOM 0 HE1 MET C 85 46.592 -6.992 5.946 1.00 0.00 H new ATOM 0 HE2 MET C 85 46.357 -5.390 5.208 1.00 0.00 H new ATOM 0 HE3 MET C 85 47.866 -6.289 4.921 1.00 0.00 H new ATOM 1307 N LYS C 86 48.015 -0.612 7.847 1.00 0.00 N ATOM 1308 CA LYS C 86 46.909 0.318 8.042 1.00 0.00 C ATOM 1309 C LYS C 86 47.086 1.095 9.342 1.00 0.00 C ATOM 1310 O LYS C 86 47.613 0.571 10.323 1.00 0.00 O ATOM 1311 CB LYS C 86 45.584 -0.446 8.078 1.00 0.00 C ATOM 1312 CG LYS C 86 45.309 -1.059 6.703 1.00 0.00 C ATOM 1313 CD LYS C 86 43.906 -1.669 6.687 1.00 0.00 C ATOM 1314 CE LYS C 86 43.710 -2.463 5.394 1.00 0.00 C ATOM 1315 NZ LYS C 86 43.643 -1.523 4.239 1.00 0.00 N ATOM 0 H LYS C 86 48.254 -1.167 8.669 1.00 0.00 H new ATOM 0 HA LYS C 86 46.899 1.022 7.210 1.00 0.00 H new ATOM 0 HB2 LYS C 86 45.624 -1.229 8.835 1.00 0.00 H new ATOM 0 HB3 LYS C 86 44.772 0.226 8.357 1.00 0.00 H new ATOM 0 HG2 LYS C 86 45.394 -0.296 5.929 1.00 0.00 H new ATOM 0 HG3 LYS C 86 46.052 -1.824 6.479 1.00 0.00 H new ATOM 0 HD2 LYS C 86 43.771 -2.320 7.550 1.00 0.00 H new ATOM 0 HD3 LYS C 86 43.155 -0.882 6.761 1.00 0.00 H new ATOM 0 HE2 LYS C 86 44.532 -3.165 5.258 1.00 0.00 H new ATOM 0 HE3 LYS C 86 42.794 -3.052 5.451 1.00 0.00 H new ATOM 0 HZ1 LYS C 86 43.375 -2.046 3.381 1.00 0.00 H new ATOM 0 HZ2 LYS C 86 42.934 -0.787 4.431 1.00 0.00 H new ATOM 0 HZ3 LYS C 86 44.573 -1.079 4.098 1.00 0.00 H new ATOM 1329 N ASP C 87 46.642 2.348 9.341 1.00 0.00 N ATOM 1330 CA ASP C 87 46.757 3.189 10.527 1.00 0.00 C ATOM 1331 C ASP C 87 45.523 3.039 11.412 1.00 0.00 C ATOM 1332 O ASP C 87 44.410 3.366 11.002 1.00 0.00 O ATOM 1333 CB ASP C 87 46.916 4.654 10.116 1.00 0.00 C ATOM 1334 CG ASP C 87 47.259 5.503 11.335 1.00 0.00 C ATOM 1335 OD1 ASP C 87 47.470 4.931 12.391 1.00 0.00 O ATOM 1336 OD2 ASP C 87 47.305 6.714 11.194 1.00 0.00 O ATOM 0 H ASP C 87 46.203 2.800 8.539 1.00 0.00 H new ATOM 0 HA ASP C 87 47.635 2.872 11.089 1.00 0.00 H new ATOM 0 HB2 ASP C 87 47.701 4.747 9.365 1.00 0.00 H new ATOM 0 HB3 ASP C 87 45.994 5.014 9.659 1.00 0.00 H new ATOM 1341 N ASP C 88 45.730 2.542 12.627 1.00 0.00 N ATOM 1342 CA ASP C 88 44.627 2.353 13.562 1.00 0.00 C ATOM 1343 C ASP C 88 45.126 2.423 15.001 1.00 0.00 C ATOM 1344 O ASP C 88 44.637 1.706 15.874 1.00 0.00 O ATOM 1345 CB ASP C 88 43.961 0.997 13.316 1.00 0.00 C ATOM 1346 CG ASP C 88 44.960 -0.127 13.567 1.00 0.00 C ATOM 1347 OD1 ASP C 88 46.017 0.155 14.105 1.00 0.00 O ATOM 1348 OD2 ASP C 88 44.653 -1.255 13.216 1.00 0.00 O ATOM 0 H ASP C 88 46.644 2.265 12.985 1.00 0.00 H new ATOM 0 HA ASP C 88 43.900 3.149 13.403 1.00 0.00 H new ATOM 0 HB2 ASP C 88 43.099 0.882 13.972 1.00 0.00 H new ATOM 0 HB3 ASP C 88 43.591 0.944 12.292 1.00 0.00 H new ATOM 1353 N SER C 89 46.102 3.292 15.242 1.00 0.00 N ATOM 1354 CA SER C 89 46.660 3.447 16.580 1.00 0.00 C ATOM 1355 C SER C 89 46.013 4.627 17.297 1.00 0.00 C ATOM 1356 O SER C 89 45.590 4.449 18.428 1.00 0.00 O ATOM 1357 CB SER C 89 48.171 3.667 16.494 1.00 0.00 C ATOM 1358 OG SER C 89 48.778 2.527 15.902 1.00 0.00 O ATOM 1359 OXT SER C 89 45.948 5.692 16.705 1.00 0.00 O ATOM 0 H SER C 89 46.520 3.895 14.534 1.00 0.00 H new ATOM 0 HA SER C 89 46.457 2.537 17.145 1.00 0.00 H new ATOM 0 HB2 SER C 89 48.388 4.557 15.903 1.00 0.00 H new ATOM 0 HB3 SER C 89 48.583 3.837 17.489 1.00 0.00 H new ATOM 0 HG SER C 89 49.746 2.665 15.844 1.00 0.00 H new TER 1365 SER C 89 ATOM 1366 N ARG I 115 55.973 12.264 8.062 1.00 0.00 N ATOM 1367 CA ARG I 115 56.465 10.927 7.623 1.00 0.00 C ATOM 1368 C ARG I 115 55.542 10.379 6.541 1.00 0.00 C ATOM 1369 O ARG I 115 54.364 10.730 6.479 1.00 0.00 O ATOM 1370 CB ARG I 115 56.488 9.976 8.822 1.00 0.00 C ATOM 1371 CG ARG I 115 57.173 8.668 8.423 1.00 0.00 C ATOM 1372 CD ARG I 115 57.196 7.718 9.622 1.00 0.00 C ATOM 1373 NE ARG I 115 55.845 7.262 9.930 1.00 0.00 N ATOM 1374 CZ ARG I 115 55.633 6.284 10.804 1.00 0.00 C ATOM 1375 NH1 ARG I 115 56.643 5.714 11.404 1.00 0.00 N ATOM 1376 NH2 ARG I 115 54.415 5.893 11.063 1.00 0.00 N ATOM 0 HA ARG I 115 57.474 11.019 7.220 1.00 0.00 H new ATOM 0 HB2 ARG I 115 57.018 10.437 9.655 1.00 0.00 H new ATOM 0 HB3 ARG I 115 55.472 9.778 9.162 1.00 0.00 H new ATOM 0 HG2 ARG I 115 56.643 8.207 7.590 1.00 0.00 H new ATOM 0 HG3 ARG I 115 58.189 8.866 8.083 1.00 0.00 H new ATOM 0 HD2 ARG I 115 57.836 6.863 9.405 1.00 0.00 H new ATOM 0 HD3 ARG I 115 57.623 8.224 10.488 1.00 0.00 H new ATOM 0 HE ARG I 115 55.050 7.701 9.467 1.00 0.00 H new ATOM 0 HH11 ARG I 115 57.595 6.020 11.202 1.00 0.00 H new ATOM 0 HH12 ARG I 115 56.480 4.963 12.075 1.00 0.00 H new ATOM 0 HH21 ARG I 115 53.626 6.338 10.594 1.00 0.00 H new ATOM 0 HH22 ARG I 115 54.252 5.142 11.734 1.00 0.00 H new ATOM 1392 N MET I 116 56.085 9.515 5.689 1.00 0.00 N ATOM 1393 CA MET I 116 55.301 8.924 4.611 1.00 0.00 C ATOM 1394 C MET I 116 54.817 7.531 5.003 1.00 0.00 C ATOM 1395 O MET I 116 55.567 6.743 5.579 1.00 0.00 O ATOM 1396 CB MET I 116 56.145 8.834 3.339 1.00 0.00 C ATOM 1397 CG MET I 116 57.146 7.685 3.469 1.00 0.00 C ATOM 1398 SD MET I 116 56.351 6.134 2.980 1.00 0.00 S ATOM 1399 CE MET I 116 57.731 5.466 2.019 1.00 0.00 C ATOM 0 H MET I 116 57.058 9.210 5.724 1.00 0.00 H new ATOM 0 HA MET I 116 54.435 9.559 4.427 1.00 0.00 H new ATOM 0 HB2 MET I 116 55.502 8.673 2.474 1.00 0.00 H new ATOM 0 HB3 MET I 116 56.673 9.773 3.173 1.00 0.00 H new ATOM 0 HG2 MET I 116 58.016 7.874 2.841 1.00 0.00 H new ATOM 0 HG3 MET I 116 57.504 7.615 4.496 1.00 0.00 H new ATOM 0 HE1 MET I 116 57.624 4.385 1.931 1.00 0.00 H new ATOM 0 HE2 MET I 116 57.732 5.912 1.025 1.00 0.00 H new ATOM 0 HE3 MET I 116 58.670 5.698 2.521 1.00 0.00 H new ATOM 1409 N SER I 117 53.561 7.235 4.686 1.00 0.00 N ATOM 1410 CA SER I 117 52.988 5.934 5.009 1.00 0.00 C ATOM 1411 C SER I 117 52.780 5.110 3.743 1.00 0.00 C ATOM 1412 O SER I 117 52.470 5.652 2.682 1.00 0.00 O ATOM 1413 CB SER I 117 51.651 6.116 5.727 1.00 0.00 C ATOM 1414 OG SER I 117 51.189 4.852 6.186 1.00 0.00 O ATOM 0 H SER I 117 52.924 7.873 4.209 1.00 0.00 H new ATOM 0 HA SER I 117 53.682 5.405 5.662 1.00 0.00 H new ATOM 0 HB2 SER I 117 51.766 6.801 6.567 1.00 0.00 H new ATOM 0 HB3 SER I 117 50.920 6.560 5.052 1.00 0.00 H new ATOM 0 HG SER I 117 50.332 4.965 6.649 1.00 0.00 H new ATOM 1420 N ALA I 118 52.953 3.797 3.862 1.00 0.00 N ATOM 1421 CA ALA I 118 52.782 2.908 2.719 1.00 0.00 C ATOM 1422 C ALA I 118 51.501 3.247 1.964 1.00 0.00 C ATOM 1423 O ALA I 118 51.450 3.158 0.737 1.00 0.00 O ATOM 1424 CB ALA I 118 52.728 1.454 3.192 1.00 0.00 C ATOM 0 H ALA I 118 53.209 3.329 4.731 1.00 0.00 H new ATOM 0 HA ALA I 118 53.631 3.041 2.049 1.00 0.00 H new ATOM 0 HB1 ALA I 118 52.600 0.796 2.332 1.00 0.00 H new ATOM 0 HB2 ALA I 118 53.656 1.204 3.705 1.00 0.00 H new ATOM 0 HB3 ALA I 118 51.889 1.325 3.876 1.00 0.00 H new ATOM 1430 N ASP I 119 50.468 3.635 2.704 1.00 0.00 N ATOM 1431 CA ASP I 119 49.191 3.985 2.093 1.00 0.00 C ATOM 1432 C ASP I 119 49.350 5.192 1.174 1.00 0.00 C ATOM 1433 O ASP I 119 48.809 5.218 0.068 1.00 0.00 O ATOM 1434 CB ASP I 119 48.161 4.301 3.179 1.00 0.00 C ATOM 1435 CG ASP I 119 47.849 3.043 3.984 1.00 0.00 C ATOM 1436 OD1 ASP I 119 48.215 1.970 3.533 1.00 0.00 O ATOM 1437 OD2 ASP I 119 47.249 3.172 5.038 1.00 0.00 O ATOM 0 H ASP I 119 50.489 3.715 3.721 1.00 0.00 H new ATOM 0 HA ASP I 119 48.847 3.135 1.503 1.00 0.00 H new ATOM 0 HB2 ASP I 119 48.543 5.080 3.839 1.00 0.00 H new ATOM 0 HB3 ASP I 119 47.249 4.688 2.725 1.00 0.00 H new ATOM 1442 N ALA I 120 50.096 6.189 1.639 1.00 0.00 N ATOM 1443 CA ALA I 120 50.319 7.395 0.849 1.00 0.00 C ATOM 1444 C ALA I 120 51.319 7.123 -0.270 1.00 0.00 C ATOM 1445 O ALA I 120 51.073 7.455 -1.430 1.00 0.00 O ATOM 1446 CB ALA I 120 50.846 8.516 1.746 1.00 0.00 C ATOM 0 H ALA I 120 50.553 6.187 2.551 1.00 0.00 H new ATOM 0 HA ALA I 120 49.370 7.700 0.407 1.00 0.00 H new ATOM 0 HB1 ALA I 120 51.010 9.413 1.149 1.00 0.00 H new ATOM 0 HB2 ALA I 120 50.117 8.729 2.528 1.00 0.00 H new ATOM 0 HB3 ALA I 120 51.787 8.206 2.201 1.00 0.00 H new ATOM 1452 N MET I 121 52.448 6.518 0.085 1.00 0.00 N ATOM 1453 CA MET I 121 53.479 6.207 -0.899 1.00 0.00 C ATOM 1454 C MET I 121 52.898 5.375 -2.038 1.00 0.00 C ATOM 1455 O MET I 121 53.425 5.374 -3.150 1.00 0.00 O ATOM 1456 CB MET I 121 54.621 5.436 -0.233 1.00 0.00 C ATOM 1457 CG MET I 121 55.774 5.274 -1.225 1.00 0.00 C ATOM 1458 SD MET I 121 56.834 3.905 -0.699 1.00 0.00 S ATOM 1459 CE MET I 121 55.793 2.561 -1.320 1.00 0.00 C ATOM 0 H MET I 121 52.671 6.235 1.039 1.00 0.00 H new ATOM 0 HA MET I 121 53.861 7.143 -1.306 1.00 0.00 H new ATOM 0 HB2 MET I 121 54.963 5.967 0.655 1.00 0.00 H new ATOM 0 HB3 MET I 121 54.270 4.458 0.096 1.00 0.00 H new ATOM 0 HG2 MET I 121 55.384 5.083 -2.225 1.00 0.00 H new ATOM 0 HG3 MET I 121 56.353 6.196 -1.280 1.00 0.00 H new ATOM 0 HE1 MET I 121 56.416 1.700 -1.563 1.00 0.00 H new ATOM 0 HE2 MET I 121 55.068 2.280 -0.556 1.00 0.00 H new ATOM 0 HE3 MET I 121 55.267 2.892 -2.215 1.00 0.00 H new ATOM 1469 N LEU I 122 51.808 4.670 -1.753 1.00 0.00 N ATOM 1470 CA LEU I 122 51.163 3.838 -2.761 1.00 0.00 C ATOM 1471 C LEU I 122 50.280 4.686 -3.671 1.00 0.00 C ATOM 1472 O LEU I 122 50.142 4.400 -4.861 1.00 0.00 O ATOM 1473 CB LEU I 122 50.314 2.760 -2.084 1.00 0.00 C ATOM 1474 CG LEU I 122 51.142 1.484 -1.924 1.00 0.00 C ATOM 1475 CD1 LEU I 122 52.578 1.851 -1.543 1.00 0.00 C ATOM 1476 CD2 LEU I 122 50.530 0.615 -0.823 1.00 0.00 C ATOM 0 H LEU I 122 51.356 4.658 -0.839 1.00 0.00 H new ATOM 0 HA LEU I 122 51.938 3.365 -3.364 1.00 0.00 H new ATOM 0 HB2 LEU I 122 49.973 3.109 -1.109 1.00 0.00 H new ATOM 0 HB3 LEU I 122 49.424 2.556 -2.679 1.00 0.00 H new ATOM 0 HG LEU I 122 51.145 0.933 -2.864 1.00 0.00 H new ATOM 0 HD11 LEU I 122 53.168 0.942 -1.429 1.00 0.00 H new ATOM 0 HD12 LEU I 122 53.015 2.471 -2.326 1.00 0.00 H new ATOM 0 HD13 LEU I 122 52.575 2.402 -0.603 1.00 0.00 H new ATOM 0 HD21 LEU I 122 51.119 -0.295 -0.708 1.00 0.00 H new ATOM 0 HD22 LEU I 122 50.527 1.167 0.117 1.00 0.00 H new ATOM 0 HD23 LEU I 122 49.507 0.353 -1.093 1.00 0.00 H new ATOM 1488 N LYS I 123 49.685 5.730 -3.104 1.00 0.00 N ATOM 1489 CA LYS I 123 48.817 6.614 -3.874 1.00 0.00 C ATOM 1490 C LYS I 123 49.645 7.525 -4.775 1.00 0.00 C ATOM 1491 O LYS I 123 49.292 7.759 -5.931 1.00 0.00 O ATOM 1492 CB LYS I 123 47.966 7.464 -2.929 1.00 0.00 C ATOM 1493 CG LYS I 123 46.903 6.583 -2.268 1.00 0.00 C ATOM 1494 CD LYS I 123 45.844 7.469 -1.609 1.00 0.00 C ATOM 1495 CE LYS I 123 46.472 8.239 -0.447 1.00 0.00 C ATOM 1496 NZ LYS I 123 47.243 9.398 -0.979 1.00 0.00 N ATOM 0 H LYS I 123 49.786 5.984 -2.121 1.00 0.00 H new ATOM 0 HA LYS I 123 48.165 6.001 -4.496 1.00 0.00 H new ATOM 0 HB2 LYS I 123 48.597 7.924 -2.168 1.00 0.00 H new ATOM 0 HB3 LYS I 123 47.490 8.275 -3.481 1.00 0.00 H new ATOM 0 HG2 LYS I 123 46.439 5.935 -3.011 1.00 0.00 H new ATOM 0 HG3 LYS I 123 47.365 5.934 -1.523 1.00 0.00 H new ATOM 0 HD2 LYS I 123 45.432 8.165 -2.339 1.00 0.00 H new ATOM 0 HD3 LYS I 123 45.017 6.858 -1.249 1.00 0.00 H new ATOM 0 HE2 LYS I 123 45.696 8.587 0.235 1.00 0.00 H new ATOM 0 HE3 LYS I 123 47.128 7.584 0.125 1.00 0.00 H new ATOM 0 HZ1 LYS I 123 48.260 9.235 -0.833 1.00 0.00 H new ATOM 0 HZ2 LYS I 123 47.052 9.505 -1.996 1.00 0.00 H new ATOM 0 HZ3 LYS I 123 46.956 10.264 -0.480 1.00 0.00 H new ATOM 1510 N ALA I 124 50.747 8.037 -4.237 1.00 0.00 N ATOM 1511 CA ALA I 124 51.618 8.922 -5.002 1.00 0.00 C ATOM 1512 C ALA I 124 52.412 8.130 -6.036 1.00 0.00 C ATOM 1513 O ALA I 124 52.187 8.260 -7.239 1.00 0.00 O ATOM 1514 CB ALA I 124 52.583 9.647 -4.062 1.00 0.00 C ATOM 0 H ALA I 124 51.057 7.856 -3.282 1.00 0.00 H new ATOM 0 HA ALA I 124 50.997 9.653 -5.519 1.00 0.00 H new ATOM 0 HB1 ALA I 124 53.230 10.306 -4.642 1.00 0.00 H new ATOM 0 HB2 ALA I 124 52.016 10.237 -3.342 1.00 0.00 H new ATOM 0 HB3 ALA I 124 53.192 8.916 -3.531 1.00 0.00 H new ATOM 1520 N LEU I 125 53.342 7.309 -5.558 1.00 0.00 N ATOM 1521 CA LEU I 125 54.164 6.499 -6.451 1.00 0.00 C ATOM 1522 C LEU I 125 53.287 5.609 -7.325 1.00 0.00 C ATOM 1523 O LEU I 125 53.485 5.523 -8.537 1.00 0.00 O ATOM 1524 CB LEU I 125 55.122 5.631 -5.634 1.00 0.00 C ATOM 1525 CG LEU I 125 56.279 6.490 -5.122 1.00 0.00 C ATOM 1526 CD1 LEU I 125 55.741 7.551 -4.160 1.00 0.00 C ATOM 1527 CD2 LEU I 125 57.286 5.602 -4.387 1.00 0.00 C ATOM 0 H LEU I 125 53.544 7.187 -4.566 1.00 0.00 H new ATOM 0 HA LEU I 125 54.738 7.167 -7.093 1.00 0.00 H new ATOM 0 HB2 LEU I 125 54.593 5.177 -4.796 1.00 0.00 H new ATOM 0 HB3 LEU I 125 55.505 4.816 -6.248 1.00 0.00 H new ATOM 0 HG LEU I 125 56.769 6.978 -5.965 1.00 0.00 H new ATOM 0 HD11 LEU I 125 56.566 8.163 -3.795 1.00 0.00 H new ATOM 0 HD12 LEU I 125 55.022 8.184 -4.681 1.00 0.00 H new ATOM 0 HD13 LEU I 125 55.251 7.063 -3.317 1.00 0.00 H new ATOM 0 HD21 LEU I 125 58.111 6.213 -4.022 1.00 0.00 H new ATOM 0 HD22 LEU I 125 56.795 5.115 -3.545 1.00 0.00 H new ATOM 0 HD23 LEU I 125 57.670 4.845 -5.070 1.00 0.00 H new ATOM 1539 N LEU I 126 52.317 4.947 -6.702 1.00 0.00 N ATOM 1540 CA LEU I 126 51.415 4.065 -7.433 1.00 0.00 C ATOM 1541 C LEU I 126 50.027 4.689 -7.542 1.00 0.00 C ATOM 1542 O LEU I 126 49.015 4.004 -7.396 1.00 0.00 O ATOM 1543 CB LEU I 126 51.315 2.714 -6.723 1.00 0.00 C ATOM 1544 CG LEU I 126 52.686 2.328 -6.166 1.00 0.00 C ATOM 1545 CD1 LEU I 126 52.572 1.010 -5.398 1.00 0.00 C ATOM 1546 CD2 LEU I 126 53.675 2.160 -7.321 1.00 0.00 C ATOM 0 H LEU I 126 52.136 5.004 -5.700 1.00 0.00 H new ATOM 0 HA LEU I 126 51.815 3.918 -8.436 1.00 0.00 H new ATOM 0 HB2 LEU I 126 50.585 2.769 -5.916 1.00 0.00 H new ATOM 0 HB3 LEU I 126 50.965 1.951 -7.418 1.00 0.00 H new ATOM 0 HG LEU I 126 53.039 3.111 -5.494 1.00 0.00 H new ATOM 0 HD11 LEU I 126 53.549 0.735 -5.001 1.00 0.00 H new ATOM 0 HD12 LEU I 126 51.866 1.128 -4.576 1.00 0.00 H new ATOM 0 HD13 LEU I 126 52.219 0.227 -6.069 1.00 0.00 H new ATOM 0 HD21 LEU I 126 54.653 1.885 -6.926 1.00 0.00 H new ATOM 0 HD22 LEU I 126 53.321 1.377 -7.992 1.00 0.00 H new ATOM 0 HD23 LEU I 126 53.756 3.098 -7.870 1.00 0.00 H new ATOM 1558 N GLY I 127 49.988 5.992 -7.799 1.00 0.00 N ATOM 1559 CA GLY I 127 48.719 6.698 -7.925 1.00 0.00 C ATOM 1560 C GLY I 127 47.931 6.193 -9.129 1.00 0.00 C ATOM 1561 O GLY I 127 46.701 6.217 -9.132 1.00 0.00 O ATOM 0 H GLY I 127 50.814 6.577 -7.923 1.00 0.00 H new ATOM 0 HA2 GLY I 127 48.131 6.561 -7.017 1.00 0.00 H new ATOM 0 HA3 GLY I 127 48.902 7.768 -8.028 1.00 0.00 H new ATOM 1565 N SER I 128 48.649 5.737 -10.150 1.00 0.00 N ATOM 1566 CA SER I 128 48.006 5.229 -11.356 1.00 0.00 C ATOM 1567 C SER I 128 47.986 3.703 -11.350 1.00 0.00 C ATOM 1568 O SER I 128 47.085 3.083 -11.915 1.00 0.00 O ATOM 1569 CB SER I 128 48.752 5.726 -12.595 1.00 0.00 C ATOM 1570 OG SER I 128 50.010 5.069 -12.680 1.00 0.00 O ATOM 0 H SER I 128 49.668 5.709 -10.167 1.00 0.00 H new ATOM 0 HA SER I 128 46.980 5.595 -11.379 1.00 0.00 H new ATOM 0 HB2 SER I 128 48.164 5.528 -13.491 1.00 0.00 H new ATOM 0 HB3 SER I 128 48.895 6.805 -12.539 1.00 0.00 H new ATOM 0 HG SER I 128 50.490 5.384 -13.474 1.00 0.00 H new ATOM 1576 N LYS I 129 48.984 3.106 -10.708 1.00 0.00 N ATOM 1577 CA LYS I 129 49.070 1.652 -10.635 1.00 0.00 C ATOM 1578 C LYS I 129 48.553 1.151 -9.290 1.00 0.00 C ATOM 1579 O LYS I 129 48.807 0.010 -8.903 1.00 0.00 O ATOM 1580 CB LYS I 129 50.521 1.204 -10.825 1.00 0.00 C ATOM 1581 CG LYS I 129 50.992 1.582 -12.231 1.00 0.00 C ATOM 1582 CD LYS I 129 52.388 1.004 -12.474 1.00 0.00 C ATOM 1583 CE LYS I 129 52.942 1.546 -13.793 1.00 0.00 C ATOM 1584 NZ LYS I 129 53.429 2.940 -13.592 1.00 0.00 N ATOM 0 H LYS I 129 49.739 3.601 -10.234 1.00 0.00 H new ATOM 0 HA LYS I 129 48.453 1.230 -11.428 1.00 0.00 H new ATOM 0 HB2 LYS I 129 51.159 1.675 -10.077 1.00 0.00 H new ATOM 0 HB3 LYS I 129 50.602 0.127 -10.680 1.00 0.00 H new ATOM 0 HG2 LYS I 129 50.294 1.199 -12.975 1.00 0.00 H new ATOM 0 HG3 LYS I 129 51.012 2.666 -12.340 1.00 0.00 H new ATOM 0 HD2 LYS I 129 53.052 1.271 -11.652 1.00 0.00 H new ATOM 0 HD3 LYS I 129 52.342 -0.085 -12.507 1.00 0.00 H new ATOM 0 HE2 LYS I 129 53.756 0.912 -14.146 1.00 0.00 H new ATOM 0 HE3 LYS I 129 52.168 1.527 -14.560 1.00 0.00 H new ATOM 0 HZ1 LYS I 129 53.115 3.535 -14.385 1.00 0.00 H new ATOM 0 HZ2 LYS I 129 53.045 3.317 -12.702 1.00 0.00 H new ATOM 0 HZ3 LYS I 129 54.468 2.942 -13.549 1.00 0.00 H new ATOM 1598 N HIS I 130 47.828 2.011 -8.584 1.00 0.00 N ATOM 1599 CA HIS I 130 47.280 1.645 -7.283 1.00 0.00 C ATOM 1600 C HIS I 130 46.459 0.363 -7.388 1.00 0.00 C ATOM 1601 O HIS I 130 46.520 -0.498 -6.511 1.00 0.00 O ATOM 1602 CB HIS I 130 46.398 2.775 -6.750 1.00 0.00 C ATOM 1603 CG HIS I 130 46.293 2.667 -5.254 1.00 0.00 C ATOM 1604 ND1 HIS I 130 46.678 1.527 -4.566 1.00 0.00 N ATOM 1605 CD2 HIS I 130 45.849 3.549 -4.299 1.00 0.00 C ATOM 1606 CE1 HIS I 130 46.460 1.750 -3.257 1.00 0.00 C ATOM 1607 NE2 HIS I 130 45.955 2.967 -3.039 1.00 0.00 N ATOM 0 H HIS I 130 47.607 2.959 -8.887 1.00 0.00 H new ATOM 0 HA HIS I 130 48.109 1.477 -6.596 1.00 0.00 H new ATOM 0 HB2 HIS I 130 46.820 3.741 -7.027 1.00 0.00 H new ATOM 0 HB3 HIS I 130 45.407 2.720 -7.200 1.00 0.00 H new ATOM 0 HD1 HIS I 130 47.058 0.674 -4.977 1.00 0.00 H new ATOM 0 HD2 HIS I 130 45.475 4.543 -4.496 1.00 0.00 H new ATOM 0 HE1 HIS I 130 46.668 1.032 -2.477 1.00 0.00 H new ATOM 1616 N LYS I 131 45.693 0.244 -8.467 1.00 0.00 N ATOM 1617 CA LYS I 131 44.864 -0.937 -8.676 1.00 0.00 C ATOM 1618 C LYS I 131 43.962 -1.180 -7.470 1.00 0.00 C ATOM 1619 O LYS I 131 42.905 -0.574 -7.415 1.00 0.00 O ATOM 1620 CB LYS I 131 45.750 -2.163 -8.908 1.00 0.00 C ATOM 1621 CG LYS I 131 44.874 -3.367 -9.258 1.00 0.00 C ATOM 1622 CD LYS I 131 45.752 -4.612 -9.402 1.00 0.00 C ATOM 1623 CE LYS I 131 44.906 -5.776 -9.924 1.00 0.00 C ATOM 1624 NZ LYS I 131 43.762 -6.012 -8.999 1.00 0.00 N ATOM 1625 OXT LYS I 131 44.342 -1.968 -6.620 1.00 0.00 O ATOM 0 H LYS I 131 45.629 0.945 -9.205 1.00 0.00 H new ATOM 0 HA LYS I 131 44.240 -0.768 -9.554 1.00 0.00 H new ATOM 0 HB2 LYS I 131 46.456 -1.967 -9.715 1.00 0.00 H new ATOM 0 HB3 LYS I 131 46.337 -2.375 -8.015 1.00 0.00 H new ATOM 0 HG2 LYS I 131 44.126 -3.524 -8.481 1.00 0.00 H new ATOM 0 HG3 LYS I 131 44.334 -3.180 -10.186 1.00 0.00 H new ATOM 0 HD2 LYS I 131 46.576 -4.412 -10.087 1.00 0.00 H new ATOM 0 HD3 LYS I 131 46.193 -4.872 -8.440 1.00 0.00 H new ATOM 0 HE2 LYS I 131 44.538 -5.552 -10.925 1.00 0.00 H new ATOM 0 HE3 LYS I 131 45.516 -6.676 -10.003 1.00 0.00 H new ATOM 0 HZ1 LYS I 131 43.360 -6.955 -9.177 1.00 0.00 H new ATOM 0 HZ2 LYS I 131 44.094 -5.958 -8.015 1.00 0.00 H new ATOM 0 HZ3 LYS I 131 43.032 -5.289 -9.158 1.00 0.00 H new TER 1639 LYS I 131 HETATM 1640 CA CA C 101 70.089 -3.964 5.362 1.00 0.00 CA