USER MOD reduce.3.24.130724 H: found=0, std=0, add=603, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 599 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 HIS : no HD1:sc= -1.3 K(o=-1.3,f=-4.3) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 MET CE :methyl 134:sc= -0.402 (180deg=-3.11!) USER MOD Single : A 17 THR OG1 : rot -40:sc= 0.967 USER MOD Single : A 18 CYS SG : rot 114:sc= 0.0777 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 SER OG : rot -57:sc= 0.358 USER MOD Single : A 21 CYS SG : rot -149:sc= 0.022 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -0.0025 X(o=-0.0025,f=0) USER MOD Single : A 45 GLN : amide:sc= -3.79! C(o=-3.8!,f=-5.3!) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 127:sc= -1.61 USER MOD Single : A 52 GLN : amide:sc= -0.603 K(o=-0.6,f=-1.6) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -0.189 X(o=-0.19,f=0) USER MOD Single : A 64 HIS : no HE2:sc= -2.33 K(o=-2.3,f=-5.9!) USER MOD Single : A 66 ASN : amide:sc= -0.0117 X(o=-0.012,f=-0.012) USER MOD Single : A 68 MET CE :methyl 151:sc= -3.8 (180deg=-6.71!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 8.629 3.314 9.635 1.00 74.22 N ATOM 2 CA ALA A 1 7.663 2.362 9.100 1.00 70.03 C ATOM 3 C ALA A 1 6.744 3.027 8.080 1.00 31.44 C ATOM 4 O ALA A 1 6.168 4.081 8.344 1.00 35.14 O ATOM 5 CB ALA A 1 6.847 1.748 10.227 1.00 30.44 C ATOM 0 H1 ALA A 1 9.241 2.836 10.326 1.00 74.22 H new ATOM 0 H2 ALA A 1 9.211 3.691 8.860 1.00 74.22 H new ATOM 0 H3 ALA A 1 8.125 4.095 10.101 1.00 74.22 H new ATOM 0 HA ALA A 1 8.214 1.570 8.592 1.00 70.03 H new ATOM 0 HB1 ALA A 1 6.130 1.039 9.813 1.00 30.44 H new ATOM 0 HB2 ALA A 1 7.512 1.229 10.917 1.00 30.44 H new ATOM 0 HB3 ALA A 1 6.313 2.535 10.760 1.00 30.44 H new ATOM 11 N GLY A 2 6.612 2.403 6.914 1.00 62.25 N ATOM 12 CA GLY A 2 5.762 2.949 5.872 1.00 43.41 C ATOM 13 C GLY A 2 6.047 2.342 4.513 1.00 64.22 C ATOM 14 O GLY A 2 6.369 1.158 4.409 1.00 71.40 O ATOM 0 H GLY A 2 7.079 1.529 6.672 1.00 62.25 H new ATOM 0 HA2 GLY A 2 4.718 2.776 6.132 1.00 43.41 H new ATOM 0 HA3 GLY A 2 5.903 4.029 5.821 1.00 43.41 H new ATOM 18 N HIS A 3 5.928 3.153 3.467 1.00 41.33 N ATOM 19 CA HIS A 3 6.174 2.688 2.106 1.00 4.23 C ATOM 20 C HIS A 3 7.446 3.313 1.540 1.00 0.14 C ATOM 21 O HIS A 3 8.121 4.090 2.215 1.00 14.05 O ATOM 22 CB HIS A 3 4.984 3.023 1.207 1.00 30.31 C ATOM 23 CG HIS A 3 4.480 4.423 1.377 1.00 73.30 C ATOM 24 ND1 HIS A 3 5.308 5.495 1.635 1.00 73.22 N ATOM 25 CD2 HIS A 3 3.224 4.924 1.323 1.00 74.11 C ATOM 26 CE1 HIS A 3 4.583 6.595 1.734 1.00 74.43 C ATOM 27 NE2 HIS A 3 3.314 6.276 1.548 1.00 64.51 N ATOM 0 H HIS A 3 5.663 4.136 3.535 1.00 41.33 H new ATOM 0 HA HIS A 3 6.304 1.606 2.136 1.00 4.23 H new ATOM 0 HB2 HIS A 3 5.272 2.873 0.166 1.00 30.31 H new ATOM 0 HB3 HIS A 3 4.173 2.326 1.417 1.00 30.31 H new ATOM 0 HD2 HIS A 3 2.319 4.365 1.137 1.00 74.11 H new ATOM 0 HE1 HIS A 3 4.963 7.586 1.933 1.00 74.43 H new ATOM 0 HE2 HIS A 3 2.529 6.928 1.568 1.00 64.51 H new ATOM 35 N MET A 4 7.767 2.968 0.298 1.00 61.51 N ATOM 36 CA MET A 4 8.958 3.495 -0.358 1.00 53.33 C ATOM 37 C MET A 4 8.613 4.707 -1.218 1.00 14.43 C ATOM 38 O MET A 4 9.308 5.009 -2.188 1.00 15.05 O ATOM 39 CB MET A 4 9.613 2.414 -1.220 1.00 52.31 C ATOM 40 CG MET A 4 10.526 1.484 -0.438 1.00 33.01 C ATOM 41 SD MET A 4 11.885 0.844 -1.435 1.00 51.42 S ATOM 42 CE MET A 4 11.868 -0.883 -0.963 1.00 33.23 C ATOM 0 H MET A 4 7.219 2.326 -0.275 1.00 61.51 H new ATOM 0 HA MET A 4 9.660 3.807 0.415 1.00 53.33 H new ATOM 0 HB2 MET A 4 8.834 1.824 -1.702 1.00 52.31 H new ATOM 0 HB3 MET A 4 10.188 2.892 -2.013 1.00 52.31 H new ATOM 0 HG2 MET A 4 10.931 2.018 0.422 1.00 33.01 H new ATOM 0 HG3 MET A 4 9.942 0.650 -0.049 1.00 33.01 H new ATOM 0 HE1 MET A 4 12.655 -1.414 -1.498 1.00 33.23 H new ATOM 0 HE2 MET A 4 12.037 -0.969 0.110 1.00 33.23 H new ATOM 0 HE3 MET A 4 10.901 -1.319 -1.214 1.00 33.23 H new ATOM 52 N GLN A 5 7.536 5.397 -0.855 1.00 52.12 N ATOM 53 CA GLN A 5 7.099 6.575 -1.595 1.00 3.42 C ATOM 54 C GLN A 5 7.673 7.848 -0.980 1.00 63.40 C ATOM 55 O GLN A 5 7.214 8.951 -1.273 1.00 62.01 O ATOM 56 CB GLN A 5 5.572 6.651 -1.620 1.00 13.05 C ATOM 57 CG GLN A 5 5.016 7.338 -2.857 1.00 5.02 C ATOM 58 CD GLN A 5 3.678 8.004 -2.604 1.00 22.43 C ATOM 59 OE1 GLN A 5 2.958 7.642 -1.673 1.00 20.23 O ATOM 60 NE2 GLN A 5 3.338 8.983 -3.433 1.00 75.02 N ATOM 0 H GLN A 5 6.951 5.161 -0.054 1.00 52.12 H new ATOM 0 HA GLN A 5 7.468 6.488 -2.617 1.00 3.42 H new ATOM 0 HB2 GLN A 5 5.166 5.641 -1.562 1.00 13.05 H new ATOM 0 HB3 GLN A 5 5.229 7.184 -0.733 1.00 13.05 H new ATOM 0 HG2 GLN A 5 5.729 8.085 -3.204 1.00 5.02 H new ATOM 0 HG3 GLN A 5 4.907 6.605 -3.657 1.00 5.02 H new ATOM 0 HE21 GLN A 5 3.966 9.250 -4.191 1.00 75.02 H new ATOM 0 HE22 GLN A 5 2.449 9.468 -3.312 1.00 75.02 H new ATOM 69 N GLU A 6 8.679 7.685 -0.126 1.00 61.22 N ATOM 70 CA GLU A 6 9.314 8.821 0.531 1.00 43.35 C ATOM 71 C GLU A 6 10.037 9.702 -0.485 1.00 24.24 C ATOM 72 O GLU A 6 10.662 9.204 -1.420 1.00 63.44 O ATOM 73 CB GLU A 6 10.300 8.337 1.596 1.00 1.40 C ATOM 74 CG GLU A 6 11.366 7.398 1.057 1.00 34.45 C ATOM 75 CD GLU A 6 12.501 7.180 2.039 1.00 61.44 C ATOM 76 OE1 GLU A 6 13.196 8.164 2.369 1.00 33.53 O ATOM 77 OE2 GLU A 6 12.695 6.026 2.475 1.00 5.13 O ATOM 0 H GLU A 6 9.071 6.778 0.127 1.00 61.22 H new ATOM 0 HA GLU A 6 8.535 9.413 1.011 1.00 43.35 H new ATOM 0 HB2 GLU A 6 10.785 9.201 2.050 1.00 1.40 H new ATOM 0 HB3 GLU A 6 9.747 7.830 2.387 1.00 1.40 H new ATOM 0 HG2 GLU A 6 10.910 6.438 0.815 1.00 34.45 H new ATOM 0 HG3 GLU A 6 11.767 7.804 0.128 1.00 34.45 H new ATOM 84 N ALA A 7 9.947 11.014 -0.292 1.00 74.41 N ATOM 85 CA ALA A 7 10.593 11.964 -1.189 1.00 34.10 C ATOM 86 C ALA A 7 11.619 12.810 -0.445 1.00 5.54 C ATOM 87 O ALA A 7 11.492 13.045 0.757 1.00 12.12 O ATOM 88 CB ALA A 7 9.552 12.855 -1.852 1.00 65.42 C ATOM 0 H ALA A 7 9.433 11.443 0.478 1.00 74.41 H new ATOM 0 HA ALA A 7 11.117 11.400 -1.960 1.00 34.10 H new ATOM 0 HB1 ALA A 7 10.048 13.560 -2.519 1.00 65.42 H new ATOM 0 HB2 ALA A 7 8.858 12.240 -2.425 1.00 65.42 H new ATOM 0 HB3 ALA A 7 9.003 13.404 -1.087 1.00 65.42 H new ATOM 94 N VAL A 8 12.639 13.266 -1.166 1.00 13.30 N ATOM 95 CA VAL A 8 13.688 14.087 -0.574 1.00 12.44 C ATOM 96 C VAL A 8 13.796 15.434 -1.280 1.00 1.33 C ATOM 97 O VAL A 8 13.649 15.522 -2.499 1.00 21.02 O ATOM 98 CB VAL A 8 15.054 13.379 -0.630 1.00 43.15 C ATOM 99 CG1 VAL A 8 16.087 14.144 0.183 1.00 50.52 C ATOM 100 CG2 VAL A 8 14.932 11.945 -0.138 1.00 14.13 C ATOM 0 H VAL A 8 12.761 13.080 -2.162 1.00 13.30 H new ATOM 0 HA VAL A 8 13.413 14.248 0.469 1.00 12.44 H new ATOM 0 HB VAL A 8 15.388 13.356 -1.667 1.00 43.15 H new ATOM 0 HG11 VAL A 8 17.046 13.628 0.131 1.00 50.52 H new ATOM 0 HG12 VAL A 8 16.195 15.151 -0.220 1.00 50.52 H new ATOM 0 HG13 VAL A 8 15.762 14.202 1.222 1.00 50.52 H new ATOM 0 HG21 VAL A 8 15.907 11.460 -0.185 1.00 14.13 H new ATOM 0 HG22 VAL A 8 14.575 11.943 0.892 1.00 14.13 H new ATOM 0 HG23 VAL A 8 14.227 11.403 -0.768 1.00 14.13 H new ATOM 110 N VAL A 9 14.055 16.483 -0.505 1.00 53.22 N ATOM 111 CA VAL A 9 14.185 17.827 -1.056 1.00 74.22 C ATOM 112 C VAL A 9 15.534 18.439 -0.699 1.00 2.33 C ATOM 113 O VAL A 9 15.964 18.393 0.454 1.00 22.40 O ATOM 114 CB VAL A 9 13.063 18.752 -0.549 1.00 12.30 C ATOM 115 CG1 VAL A 9 13.085 20.078 -1.295 1.00 64.41 C ATOM 116 CG2 VAL A 9 11.708 18.074 -0.691 1.00 4.32 C ATOM 0 H VAL A 9 14.179 16.428 0.506 1.00 53.22 H new ATOM 0 HA VAL A 9 14.107 17.734 -2.139 1.00 74.22 H new ATOM 0 HB VAL A 9 13.234 18.954 0.508 1.00 12.30 H new ATOM 0 HG11 VAL A 9 12.285 20.718 -0.923 1.00 64.41 H new ATOM 0 HG12 VAL A 9 14.045 20.569 -1.137 1.00 64.41 H new ATOM 0 HG13 VAL A 9 12.940 19.899 -2.360 1.00 64.41 H new ATOM 0 HG21 VAL A 9 10.927 18.742 -0.328 1.00 4.32 H new ATOM 0 HG22 VAL A 9 11.526 17.840 -1.740 1.00 4.32 H new ATOM 0 HG23 VAL A 9 11.699 17.154 -0.107 1.00 4.32 H new ATOM 126 N LYS A 10 16.199 19.014 -1.695 1.00 1.40 N ATOM 127 CA LYS A 10 17.500 19.639 -1.487 1.00 62.11 C ATOM 128 C LYS A 10 17.403 21.155 -1.618 1.00 50.52 C ATOM 129 O LYS A 10 16.754 21.670 -2.530 1.00 32.20 O ATOM 130 CB LYS A 10 18.517 19.094 -2.493 1.00 20.35 C ATOM 131 CG LYS A 10 18.007 19.072 -3.923 1.00 14.21 C ATOM 132 CD LYS A 10 17.455 17.707 -4.298 1.00 22.11 C ATOM 133 CE LYS A 10 17.697 17.392 -5.766 1.00 64.01 C ATOM 134 NZ LYS A 10 19.099 16.955 -6.016 1.00 32.53 N ATOM 0 H LYS A 10 15.858 19.060 -2.655 1.00 1.40 H new ATOM 0 HA LYS A 10 17.832 19.400 -0.477 1.00 62.11 H new ATOM 0 HB2 LYS A 10 19.421 19.701 -2.448 1.00 20.35 H new ATOM 0 HB3 LYS A 10 18.798 18.082 -2.201 1.00 20.35 H new ATOM 0 HG2 LYS A 10 17.229 19.826 -4.044 1.00 14.21 H new ATOM 0 HG3 LYS A 10 18.817 19.337 -4.603 1.00 14.21 H new ATOM 0 HD2 LYS A 10 17.923 16.942 -3.679 1.00 22.11 H new ATOM 0 HD3 LYS A 10 16.386 17.676 -4.090 1.00 22.11 H new ATOM 0 HE2 LYS A 10 17.010 16.609 -6.088 1.00 64.01 H new ATOM 0 HE3 LYS A 10 17.479 18.274 -6.368 1.00 64.01 H new ATOM 0 HZ1 LYS A 10 19.223 16.750 -7.028 1.00 32.53 H new ATOM 0 HZ2 LYS A 10 19.754 17.712 -5.733 1.00 32.53 H new ATOM 0 HZ3 LYS A 10 19.300 16.098 -5.462 1.00 32.53 H new ATOM 148 N LEU A 11 18.053 21.867 -0.703 1.00 73.54 N ATOM 149 CA LEU A 11 18.041 23.325 -0.718 1.00 12.33 C ATOM 150 C LEU A 11 19.461 23.881 -0.749 1.00 51.11 C ATOM 151 O LEU A 11 20.381 23.293 -0.181 1.00 20.30 O ATOM 152 CB LEU A 11 17.298 23.861 0.508 1.00 62.13 C ATOM 153 CG LEU A 11 15.809 23.524 0.591 1.00 61.25 C ATOM 154 CD1 LEU A 11 15.611 22.101 1.089 1.00 32.22 C ATOM 155 CD2 LEU A 11 15.088 24.513 1.494 1.00 32.04 C ATOM 0 H LEU A 11 18.595 21.458 0.058 1.00 73.54 H new ATOM 0 HA LEU A 11 17.523 23.650 -1.620 1.00 12.33 H new ATOM 0 HB2 LEU A 11 17.788 23.475 1.402 1.00 62.13 H new ATOM 0 HB3 LEU A 11 17.406 24.945 0.528 1.00 62.13 H new ATOM 0 HG LEU A 11 15.382 23.599 -0.409 1.00 61.25 H new ATOM 0 HD11 LEU A 11 14.545 21.879 1.142 1.00 32.22 H new ATOM 0 HD12 LEU A 11 16.093 21.405 0.403 1.00 32.22 H new ATOM 0 HD13 LEU A 11 16.053 21.998 2.080 1.00 32.22 H new ATOM 0 HD21 LEU A 11 14.029 24.258 1.541 1.00 32.04 H new ATOM 0 HD22 LEU A 11 15.517 24.471 2.495 1.00 32.04 H new ATOM 0 HD23 LEU A 11 15.201 25.520 1.093 1.00 32.04 H new ATOM 167 N ARG A 12 19.631 25.019 -1.415 1.00 31.32 N ATOM 168 CA ARG A 12 20.939 25.655 -1.519 1.00 74.32 C ATOM 169 C ARG A 12 21.260 26.448 -0.256 1.00 12.02 C ATOM 170 O ARG A 12 20.579 27.421 0.069 1.00 41.12 O ATOM 171 CB ARG A 12 20.985 26.577 -2.739 1.00 30.11 C ATOM 172 CG ARG A 12 19.765 27.474 -2.871 1.00 3.33 C ATOM 173 CD ARG A 12 20.081 28.729 -3.669 1.00 53.33 C ATOM 174 NE ARG A 12 18.870 29.439 -4.074 1.00 3.32 N ATOM 175 CZ ARG A 12 18.866 30.693 -4.514 1.00 32.24 C ATOM 176 NH1 ARG A 12 20.002 31.371 -4.606 1.00 34.45 N ATOM 177 NH2 ARG A 12 17.724 31.270 -4.863 1.00 55.50 N ATOM 0 H ARG A 12 18.880 25.519 -1.890 1.00 31.32 H new ATOM 0 HA ARG A 12 21.688 24.872 -1.635 1.00 74.32 H new ATOM 0 HB2 ARG A 12 21.878 27.199 -2.680 1.00 30.11 H new ATOM 0 HB3 ARG A 12 21.078 25.970 -3.639 1.00 30.11 H new ATOM 0 HG2 ARG A 12 18.959 26.925 -3.358 1.00 3.33 H new ATOM 0 HG3 ARG A 12 19.407 27.752 -1.880 1.00 3.33 H new ATOM 0 HD2 ARG A 12 20.707 29.391 -3.071 1.00 53.33 H new ATOM 0 HD3 ARG A 12 20.657 28.460 -4.554 1.00 53.33 H new ATOM 0 HE ARG A 12 17.979 28.945 -4.016 1.00 3.32 H new ATOM 0 HH11 ARG A 12 20.882 30.930 -4.339 1.00 34.45 H new ATOM 0 HH12 ARG A 12 19.996 32.333 -4.944 1.00 34.45 H new ATOM 0 HH21 ARG A 12 16.848 30.751 -4.794 1.00 55.50 H new ATOM 0 HH22 ARG A 12 17.721 32.232 -5.201 1.00 55.50 H new ATOM 191 N VAL A 13 22.301 26.025 0.454 1.00 62.12 N ATOM 192 CA VAL A 13 22.713 26.696 1.681 1.00 22.40 C ATOM 193 C VAL A 13 23.873 27.651 1.423 1.00 71.25 C ATOM 194 O VAL A 13 24.838 27.301 0.744 1.00 51.10 O ATOM 195 CB VAL A 13 23.130 25.681 2.762 1.00 34.15 C ATOM 196 CG1 VAL A 13 23.244 26.362 4.118 1.00 73.41 C ATOM 197 CG2 VAL A 13 22.141 24.526 2.818 1.00 12.31 C ATOM 0 H VAL A 13 22.875 25.221 0.200 1.00 62.12 H new ATOM 0 HA VAL A 13 21.852 27.262 2.036 1.00 22.40 H new ATOM 0 HB VAL A 13 24.109 25.279 2.500 1.00 34.15 H new ATOM 0 HG11 VAL A 13 23.539 25.630 4.869 1.00 73.41 H new ATOM 0 HG12 VAL A 13 23.994 27.152 4.067 1.00 73.41 H new ATOM 0 HG13 VAL A 13 22.281 26.793 4.391 1.00 73.41 H new ATOM 0 HG21 VAL A 13 22.451 23.818 3.587 1.00 12.31 H new ATOM 0 HG22 VAL A 13 21.148 24.908 3.056 1.00 12.31 H new ATOM 0 HG23 VAL A 13 22.114 24.023 1.852 1.00 12.31 H new ATOM 207 N GLU A 14 23.771 28.858 1.969 1.00 52.52 N ATOM 208 CA GLU A 14 24.812 29.865 1.796 1.00 20.35 C ATOM 209 C GLU A 14 25.645 30.008 3.067 1.00 42.52 C ATOM 210 O GLU A 14 26.800 30.430 3.020 1.00 0.14 O ATOM 211 CB GLU A 14 24.192 31.213 1.424 1.00 4.34 C ATOM 212 CG GLU A 14 24.634 31.732 0.066 1.00 2.24 C ATOM 213 CD GLU A 14 26.116 32.051 0.018 1.00 52.15 C ATOM 214 OE1 GLU A 14 26.530 33.043 0.654 1.00 31.43 O ATOM 215 OE2 GLU A 14 26.861 31.310 -0.657 1.00 52.21 O ATOM 0 H GLU A 14 22.979 29.163 2.535 1.00 52.52 H new ATOM 0 HA GLU A 14 25.467 29.540 0.987 1.00 20.35 H new ATOM 0 HB2 GLU A 14 23.106 31.118 1.432 1.00 4.34 H new ATOM 0 HB3 GLU A 14 24.453 31.947 2.187 1.00 4.34 H new ATOM 0 HG2 GLU A 14 24.401 30.989 -0.696 1.00 2.24 H new ATOM 0 HG3 GLU A 14 24.065 32.629 -0.179 1.00 2.24 H new ATOM 222 N GLY A 15 25.049 29.655 4.202 1.00 64.13 N ATOM 223 CA GLY A 15 25.750 29.752 5.469 1.00 50.11 C ATOM 224 C GLY A 15 26.736 28.619 5.675 1.00 40.53 C ATOM 225 O GLY A 15 27.571 28.671 6.577 1.00 31.04 O ATOM 0 H GLY A 15 24.094 29.304 4.267 1.00 64.13 H new ATOM 0 HA2 GLY A 15 26.280 30.703 5.516 1.00 50.11 H new ATOM 0 HA3 GLY A 15 25.025 29.751 6.283 1.00 50.11 H new ATOM 229 N MET A 16 26.639 27.593 4.836 1.00 32.35 N ATOM 230 CA MET A 16 27.530 26.442 4.932 1.00 54.04 C ATOM 231 C MET A 16 28.988 26.872 4.811 1.00 41.13 C ATOM 232 O MET A 16 29.290 28.063 4.722 1.00 62.33 O ATOM 233 CB MET A 16 27.195 25.420 3.844 1.00 63.15 C ATOM 234 CG MET A 16 26.474 24.188 4.367 1.00 3.54 C ATOM 235 SD MET A 16 27.490 23.217 5.497 1.00 13.45 S ATOM 236 CE MET A 16 26.425 23.149 6.936 1.00 12.41 C ATOM 0 H MET A 16 25.953 27.535 4.083 1.00 32.35 H new ATOM 0 HA MET A 16 27.386 25.982 5.910 1.00 54.04 H new ATOM 0 HB2 MET A 16 26.575 25.899 3.086 1.00 63.15 H new ATOM 0 HB3 MET A 16 28.117 25.110 3.352 1.00 63.15 H new ATOM 0 HG2 MET A 16 25.561 24.495 4.878 1.00 3.54 H new ATOM 0 HG3 MET A 16 26.174 23.563 3.526 1.00 3.54 H new ATOM 0 HE1 MET A 16 26.392 22.128 7.316 1.00 12.41 H new ATOM 0 HE2 MET A 16 26.815 23.812 7.709 1.00 12.41 H new ATOM 0 HE3 MET A 16 25.419 23.466 6.660 1.00 12.41 H new ATOM 246 N THR A 17 29.890 25.896 4.808 1.00 24.34 N ATOM 247 CA THR A 17 31.317 26.173 4.700 1.00 51.40 C ATOM 248 C THR A 17 31.763 27.178 5.756 1.00 23.11 C ATOM 249 O THR A 17 32.743 27.899 5.566 1.00 64.04 O ATOM 250 CB THR A 17 31.679 26.717 3.305 1.00 11.40 C ATOM 251 OG1 THR A 17 31.370 28.113 3.228 1.00 13.42 O ATOM 252 CG2 THR A 17 30.925 25.965 2.219 1.00 42.24 C ATOM 0 H THR A 17 29.657 24.905 4.879 1.00 24.34 H new ATOM 0 HA THR A 17 31.836 25.228 4.860 1.00 51.40 H new ATOM 0 HB THR A 17 32.748 26.573 3.149 1.00 11.40 H new ATOM 0 HG1 THR A 17 30.517 28.284 3.678 1.00 13.42 H new ATOM 0 HG21 THR A 17 31.197 26.367 1.243 1.00 42.24 H new ATOM 0 HG22 THR A 17 31.185 24.907 2.261 1.00 42.24 H new ATOM 0 HG23 THR A 17 29.852 26.082 2.373 1.00 42.24 H new ATOM 260 N CYS A 18 31.040 27.220 6.869 1.00 33.42 N ATOM 261 CA CYS A 18 31.362 28.137 7.957 1.00 72.23 C ATOM 262 C CYS A 18 31.677 27.372 9.238 1.00 71.31 C ATOM 263 O CYS A 18 32.455 27.834 10.072 1.00 70.31 O ATOM 264 CB CYS A 18 30.201 29.103 8.198 1.00 71.14 C ATOM 265 SG CYS A 18 30.086 30.437 6.982 1.00 22.32 S ATOM 0 H CYS A 18 30.226 26.630 7.042 1.00 33.42 H new ATOM 0 HA CYS A 18 32.246 28.707 7.669 1.00 72.23 H new ATOM 0 HB2 CYS A 18 29.267 28.540 8.194 1.00 71.14 H new ATOM 0 HB3 CYS A 18 30.306 29.539 9.191 1.00 71.14 H new ATOM 0 HG CYS A 18 29.001 30.293 6.281 1.00 22.32 H new ATOM 271 N GLN A 19 31.066 26.201 9.387 1.00 31.13 N ATOM 272 CA GLN A 19 31.280 25.373 10.568 1.00 11.25 C ATOM 273 C GLN A 19 30.693 23.980 10.371 1.00 74.35 C ATOM 274 O GLN A 19 30.159 23.666 9.307 1.00 70.34 O ATOM 275 CB GLN A 19 30.655 26.033 11.799 1.00 23.33 C ATOM 276 CG GLN A 19 31.641 26.259 12.934 1.00 0.42 C ATOM 277 CD GLN A 19 31.416 27.578 13.648 1.00 31.42 C ATOM 278 OE1 GLN A 19 30.652 27.653 14.611 1.00 23.33 O ATOM 279 NE2 GLN A 19 32.081 28.627 13.179 1.00 63.51 N ATOM 0 H GLN A 19 30.419 25.805 8.705 1.00 31.13 H new ATOM 0 HA GLN A 19 32.355 25.275 10.722 1.00 11.25 H new ATOM 0 HB2 GLN A 19 30.223 26.990 11.508 1.00 23.33 H new ATOM 0 HB3 GLN A 19 29.836 25.410 12.159 1.00 23.33 H new ATOM 0 HG2 GLN A 19 31.557 25.443 13.651 1.00 0.42 H new ATOM 0 HG3 GLN A 19 32.657 26.233 12.539 1.00 0.42 H new ATOM 0 HE21 GLN A 19 32.704 28.520 12.379 1.00 63.51 H new ATOM 0 HE22 GLN A 19 31.969 29.540 13.619 1.00 63.51 H new ATOM 288 N SER A 20 30.795 23.148 11.402 1.00 20.30 N ATOM 289 CA SER A 20 30.278 21.786 11.340 1.00 74.21 C ATOM 290 C SER A 20 28.831 21.732 11.821 1.00 74.15 C ATOM 291 O SER A 20 28.466 20.882 12.634 1.00 25.00 O ATOM 292 CB SER A 20 31.143 20.850 12.186 1.00 61.23 C ATOM 293 OG SER A 20 30.766 19.497 11.997 1.00 35.04 O ATOM 0 H SER A 20 31.231 23.393 12.291 1.00 20.30 H new ATOM 0 HA SER A 20 30.310 21.459 10.301 1.00 74.21 H new ATOM 0 HB2 SER A 20 32.192 20.979 11.919 1.00 61.23 H new ATOM 0 HB3 SER A 20 31.047 21.114 13.239 1.00 61.23 H new ATOM 0 HG SER A 20 29.817 19.388 12.218 1.00 35.04 H new ATOM 299 N CYS A 21 28.011 22.645 11.312 1.00 72.23 N ATOM 300 CA CYS A 21 26.603 22.703 11.689 1.00 51.21 C ATOM 301 C CYS A 21 25.878 21.424 11.284 1.00 61.23 C ATOM 302 O CYS A 21 24.804 21.116 11.801 1.00 63.40 O ATOM 303 CB CYS A 21 25.929 23.913 11.040 1.00 63.14 C ATOM 304 SG CYS A 21 25.008 24.954 12.196 1.00 74.52 S ATOM 0 H CYS A 21 28.297 23.355 10.638 1.00 72.23 H new ATOM 0 HA CYS A 21 26.547 22.803 12.773 1.00 51.21 H new ATOM 0 HB2 CYS A 21 26.690 24.519 10.549 1.00 63.14 H new ATOM 0 HB3 CYS A 21 25.250 23.563 10.262 1.00 63.14 H new ATOM 0 HG CYS A 21 23.999 25.497 11.582 1.00 74.52 H new ATOM 310 N VAL A 22 26.472 20.683 10.353 1.00 32.35 N ATOM 311 CA VAL A 22 25.883 19.437 9.878 1.00 73.32 C ATOM 312 C VAL A 22 25.493 18.533 11.042 1.00 14.53 C ATOM 313 O VAL A 22 24.403 17.960 11.059 1.00 45.12 O ATOM 314 CB VAL A 22 26.851 18.675 8.954 1.00 62.13 C ATOM 315 CG1 VAL A 22 26.238 17.356 8.508 1.00 2.02 C ATOM 316 CG2 VAL A 22 27.226 19.531 7.753 1.00 35.21 C ATOM 0 H VAL A 22 27.360 20.924 9.913 1.00 32.35 H new ATOM 0 HA VAL A 22 24.989 19.705 9.315 1.00 73.32 H new ATOM 0 HB VAL A 22 27.761 18.455 9.513 1.00 62.13 H new ATOM 0 HG11 VAL A 22 26.937 16.832 7.856 1.00 2.02 H new ATOM 0 HG12 VAL A 22 26.025 16.740 9.382 1.00 2.02 H new ATOM 0 HG13 VAL A 22 25.312 17.550 7.966 1.00 2.02 H new ATOM 0 HG21 VAL A 22 27.911 18.977 7.111 1.00 35.21 H new ATOM 0 HG22 VAL A 22 26.327 19.784 7.192 1.00 35.21 H new ATOM 0 HG23 VAL A 22 27.710 20.446 8.095 1.00 35.21 H new ATOM 326 N SER A 23 26.389 18.412 12.016 1.00 63.31 N ATOM 327 CA SER A 23 26.141 17.575 13.184 1.00 15.31 C ATOM 328 C SER A 23 24.968 18.114 13.998 1.00 3.24 C ATOM 329 O SER A 23 24.169 17.349 14.537 1.00 13.13 O ATOM 330 CB SER A 23 27.393 17.500 14.060 1.00 53.11 C ATOM 331 OG SER A 23 27.982 16.213 13.998 1.00 72.31 O ATOM 0 H SER A 23 27.294 18.883 12.020 1.00 63.31 H new ATOM 0 HA SER A 23 25.890 16.573 12.836 1.00 15.31 H new ATOM 0 HB2 SER A 23 28.114 18.250 13.734 1.00 53.11 H new ATOM 0 HB3 SER A 23 27.133 17.735 15.092 1.00 53.11 H new ATOM 0 HG SER A 23 28.781 16.191 14.565 1.00 72.31 H new ATOM 337 N SER A 24 24.873 19.437 14.083 1.00 4.31 N ATOM 338 CA SER A 24 23.802 20.080 14.834 1.00 12.35 C ATOM 339 C SER A 24 22.452 19.848 14.162 1.00 10.13 C ATOM 340 O SER A 24 21.454 19.571 14.829 1.00 42.24 O ATOM 341 CB SER A 24 24.069 21.581 14.962 1.00 2.22 C ATOM 342 OG SER A 24 23.158 22.187 15.863 1.00 72.25 O ATOM 0 H SER A 24 25.525 20.085 13.641 1.00 4.31 H new ATOM 0 HA SER A 24 23.774 19.637 15.830 1.00 12.35 H new ATOM 0 HB2 SER A 24 25.090 21.744 15.308 1.00 2.22 H new ATOM 0 HB3 SER A 24 23.985 22.053 13.983 1.00 2.22 H new ATOM 0 HG SER A 24 23.351 23.146 15.928 1.00 72.25 H new ATOM 348 N ILE A 25 22.430 19.963 12.839 1.00 53.12 N ATOM 349 CA ILE A 25 21.204 19.765 12.076 1.00 73.12 C ATOM 350 C ILE A 25 20.732 18.317 12.159 1.00 4.11 C ATOM 351 O ILE A 25 19.540 18.035 12.042 1.00 24.12 O ATOM 352 CB ILE A 25 21.394 20.147 10.596 1.00 73.11 C ATOM 353 CG1 ILE A 25 21.894 21.588 10.479 1.00 54.23 C ATOM 354 CG2 ILE A 25 20.090 19.969 9.831 1.00 24.45 C ATOM 355 CD1 ILE A 25 22.416 21.937 9.102 1.00 33.44 C ATOM 0 H ILE A 25 23.247 20.192 12.273 1.00 53.12 H new ATOM 0 HA ILE A 25 20.450 20.416 12.517 1.00 73.12 H new ATOM 0 HB ILE A 25 22.142 19.486 10.159 1.00 73.11 H new ATOM 0 HG12 ILE A 25 21.081 22.268 10.734 1.00 54.23 H new ATOM 0 HG13 ILE A 25 22.686 21.750 11.211 1.00 54.23 H new ATOM 0 HG21 ILE A 25 20.240 20.243 8.787 1.00 24.45 H new ATOM 0 HG22 ILE A 25 19.772 18.928 9.891 1.00 24.45 H new ATOM 0 HG23 ILE A 25 19.322 20.608 10.267 1.00 24.45 H new ATOM 0 HD11 ILE A 25 22.753 22.973 9.093 1.00 33.44 H new ATOM 0 HD12 ILE A 25 23.250 21.282 8.852 1.00 33.44 H new ATOM 0 HD13 ILE A 25 21.621 21.808 8.368 1.00 33.44 H new ATOM 367 N GLU A 26 21.677 17.404 12.364 1.00 74.14 N ATOM 368 CA GLU A 26 21.357 15.985 12.464 1.00 72.33 C ATOM 369 C GLU A 26 20.433 15.717 13.649 1.00 51.45 C ATOM 370 O GLU A 26 19.547 14.866 13.579 1.00 2.44 O ATOM 371 CB GLU A 26 22.637 15.159 12.605 1.00 4.42 C ATOM 372 CG GLU A 26 22.781 14.074 11.552 1.00 22.41 C ATOM 373 CD GLU A 26 23.621 12.905 12.030 1.00 71.10 C ATOM 374 OE1 GLU A 26 24.723 13.145 12.565 1.00 45.15 O ATOM 375 OE2 GLU A 26 23.175 11.750 11.869 1.00 35.53 O ATOM 0 H GLU A 26 22.669 17.622 12.464 1.00 74.14 H new ATOM 0 HA GLU A 26 20.842 15.690 11.550 1.00 72.33 H new ATOM 0 HB2 GLU A 26 23.498 15.826 12.548 1.00 4.42 H new ATOM 0 HB3 GLU A 26 22.655 14.699 13.593 1.00 4.42 H new ATOM 0 HG2 GLU A 26 21.792 13.714 11.269 1.00 22.41 H new ATOM 0 HG3 GLU A 26 23.234 14.500 10.656 1.00 22.41 H new ATOM 382 N GLY A 27 20.648 16.451 14.736 1.00 15.34 N ATOM 383 CA GLY A 27 19.828 16.279 15.921 1.00 34.23 C ATOM 384 C GLY A 27 18.362 16.561 15.658 1.00 33.50 C ATOM 385 O GLY A 27 17.485 15.966 16.285 1.00 13.35 O ATOM 0 H GLY A 27 21.375 17.162 14.817 1.00 15.34 H new ATOM 0 HA2 GLY A 27 19.938 15.259 16.290 1.00 34.23 H new ATOM 0 HA3 GLY A 27 20.187 16.943 16.707 1.00 34.23 H new ATOM 389 N LYS A 28 18.094 17.471 14.728 1.00 15.02 N ATOM 390 CA LYS A 28 16.724 17.832 14.383 1.00 72.04 C ATOM 391 C LYS A 28 15.970 16.631 13.821 1.00 70.15 C ATOM 392 O LYS A 28 14.785 16.443 14.099 1.00 45.14 O ATOM 393 CB LYS A 28 16.717 18.974 13.364 1.00 0.10 C ATOM 394 CG LYS A 28 16.322 20.315 13.957 1.00 52.51 C ATOM 395 CD LYS A 28 14.921 20.275 14.544 1.00 71.31 C ATOM 396 CE LYS A 28 14.951 20.351 16.063 1.00 75.23 C ATOM 397 NZ LYS A 28 15.182 21.741 16.544 1.00 62.10 N ATOM 0 H LYS A 28 18.808 17.972 14.199 1.00 15.02 H new ATOM 0 HA LYS A 28 16.222 18.161 15.292 1.00 72.04 H new ATOM 0 HB2 LYS A 28 17.709 19.060 12.921 1.00 0.10 H new ATOM 0 HB3 LYS A 28 16.028 18.726 12.557 1.00 0.10 H new ATOM 0 HG2 LYS A 28 17.035 20.595 14.733 1.00 52.51 H new ATOM 0 HG3 LYS A 28 16.372 21.084 13.186 1.00 52.51 H new ATOM 0 HD2 LYS A 28 14.336 21.105 14.149 1.00 71.31 H new ATOM 0 HD3 LYS A 28 14.422 19.357 14.234 1.00 71.31 H new ATOM 0 HE2 LYS A 28 14.008 19.980 16.464 1.00 75.23 H new ATOM 0 HE3 LYS A 28 15.737 19.699 16.444 1.00 75.23 H new ATOM 0 HZ1 LYS A 28 15.196 21.751 17.584 1.00 62.10 H new ATOM 0 HZ2 LYS A 28 16.094 22.086 16.182 1.00 62.10 H new ATOM 0 HZ3 LYS A 28 14.418 22.358 16.202 1.00 62.10 H new ATOM 411 N VAL A 29 16.665 15.819 13.029 1.00 15.33 N ATOM 412 CA VAL A 29 16.061 14.635 12.430 1.00 23.24 C ATOM 413 C VAL A 29 15.384 13.769 13.487 1.00 55.42 C ATOM 414 O VAL A 29 14.258 13.308 13.297 1.00 11.33 O ATOM 415 CB VAL A 29 17.109 13.788 11.684 1.00 60.13 C ATOM 416 CG1 VAL A 29 16.514 12.454 11.260 1.00 71.21 C ATOM 417 CG2 VAL A 29 17.648 14.547 10.481 1.00 52.14 C ATOM 0 H VAL A 29 17.646 15.960 12.788 1.00 15.33 H new ATOM 0 HA VAL A 29 15.314 14.986 11.718 1.00 23.24 H new ATOM 0 HB VAL A 29 17.939 13.589 12.362 1.00 60.13 H new ATOM 0 HG11 VAL A 29 17.269 11.869 10.734 1.00 71.21 H new ATOM 0 HG12 VAL A 29 16.181 11.907 12.142 1.00 71.21 H new ATOM 0 HG13 VAL A 29 15.665 12.628 10.599 1.00 71.21 H new ATOM 0 HG21 VAL A 29 18.387 13.934 9.965 1.00 52.14 H new ATOM 0 HG22 VAL A 29 16.829 14.778 9.800 1.00 52.14 H new ATOM 0 HG23 VAL A 29 18.114 15.474 10.815 1.00 52.14 H new ATOM 427 N ARG A 30 16.076 13.553 14.600 1.00 3.22 N ATOM 428 CA ARG A 30 15.542 12.742 15.687 1.00 14.34 C ATOM 429 C ARG A 30 14.300 13.392 16.291 1.00 50.43 C ATOM 430 O ARG A 30 13.456 12.717 16.879 1.00 34.33 O ATOM 431 CB ARG A 30 16.602 12.541 16.771 1.00 64.40 C ATOM 432 CG ARG A 30 16.292 11.396 17.722 1.00 40.03 C ATOM 433 CD ARG A 30 16.671 10.053 17.119 1.00 65.53 C ATOM 434 NE ARG A 30 18.097 9.974 16.810 1.00 12.12 N ATOM 435 CZ ARG A 30 19.036 9.760 17.725 1.00 60.12 C ATOM 436 NH1 ARG A 30 18.702 9.603 18.998 1.00 3.24 N ATOM 437 NH2 ARG A 30 20.312 9.702 17.366 1.00 22.40 N ATOM 0 H ARG A 30 17.008 13.929 14.773 1.00 3.22 H new ATOM 0 HA ARG A 30 15.262 11.771 15.278 1.00 14.34 H new ATOM 0 HB2 ARG A 30 17.565 12.356 16.295 1.00 64.40 H new ATOM 0 HB3 ARG A 30 16.701 13.462 17.345 1.00 64.40 H new ATOM 0 HG2 ARG A 30 16.833 11.542 18.657 1.00 40.03 H new ATOM 0 HG3 ARG A 30 15.229 11.400 17.964 1.00 40.03 H new ATOM 0 HD2 ARG A 30 16.406 9.256 17.814 1.00 65.53 H new ATOM 0 HD3 ARG A 30 16.093 9.888 16.209 1.00 65.53 H new ATOM 0 HE ARG A 30 18.387 10.089 15.839 1.00 12.12 H new ATOM 0 HH11 ARG A 30 17.722 9.646 19.277 1.00 3.24 H new ATOM 0 HH12 ARG A 30 19.425 9.439 19.698 1.00 3.24 H new ATOM 0 HH21 ARG A 30 20.572 9.822 16.387 1.00 22.40 H new ATOM 0 HH22 ARG A 30 21.033 9.538 18.069 1.00 22.40 H new ATOM 451 N LYS A 31 14.196 14.709 16.141 1.00 74.51 N ATOM 452 CA LYS A 31 13.058 15.451 16.670 1.00 52.44 C ATOM 453 C LYS A 31 11.956 15.578 15.622 1.00 22.51 C ATOM 454 O LYS A 31 10.816 15.917 15.943 1.00 45.43 O ATOM 455 CB LYS A 31 13.500 16.842 17.130 1.00 0.21 C ATOM 456 CG LYS A 31 14.446 16.817 18.318 1.00 43.31 C ATOM 457 CD LYS A 31 13.749 16.330 19.577 1.00 75.24 C ATOM 458 CE LYS A 31 12.636 17.277 20.000 1.00 61.14 C ATOM 459 NZ LYS A 31 12.329 17.158 21.452 1.00 52.11 N ATOM 0 H LYS A 31 14.886 15.284 15.657 1.00 74.51 H new ATOM 0 HA LYS A 31 12.662 14.900 17.523 1.00 52.44 H new ATOM 0 HB2 LYS A 31 13.987 17.353 16.299 1.00 0.21 H new ATOM 0 HB3 LYS A 31 12.618 17.427 17.391 1.00 0.21 H new ATOM 0 HG2 LYS A 31 15.293 16.168 18.096 1.00 43.31 H new ATOM 0 HG3 LYS A 31 14.846 17.817 18.486 1.00 43.31 H new ATOM 0 HD2 LYS A 31 13.336 15.336 19.404 1.00 75.24 H new ATOM 0 HD3 LYS A 31 14.476 16.238 20.384 1.00 75.24 H new ATOM 0 HE2 LYS A 31 12.926 18.303 19.773 1.00 61.14 H new ATOM 0 HE3 LYS A 31 11.738 17.064 19.420 1.00 61.14 H new ATOM 0 HZ1 LYS A 31 11.566 17.819 21.701 1.00 52.11 H new ATOM 0 HZ2 LYS A 31 12.028 16.186 21.665 1.00 52.11 H new ATOM 0 HZ3 LYS A 31 13.179 17.386 22.006 1.00 52.11 H new ATOM 473 N LEU A 32 12.303 15.301 14.370 1.00 75.31 N ATOM 474 CA LEU A 32 11.342 15.382 13.275 1.00 62.43 C ATOM 475 C LEU A 32 10.396 14.185 13.291 1.00 51.43 C ATOM 476 O LEU A 32 10.819 13.051 13.510 1.00 62.22 O ATOM 477 CB LEU A 32 12.074 15.450 11.933 1.00 75.01 C ATOM 478 CG LEU A 32 12.203 16.840 11.309 1.00 74.01 C ATOM 479 CD1 LEU A 32 10.829 17.440 11.054 1.00 52.30 C ATOM 480 CD2 LEU A 32 13.027 17.752 12.205 1.00 5.30 C ATOM 0 H LEU A 32 13.242 15.019 14.088 1.00 75.31 H new ATOM 0 HA LEU A 32 10.752 16.289 13.407 1.00 62.43 H new ATOM 0 HB2 LEU A 32 13.075 15.039 12.066 1.00 75.01 H new ATOM 0 HB3 LEU A 32 11.555 14.803 11.226 1.00 75.01 H new ATOM 0 HG LEU A 32 12.717 16.742 10.353 1.00 74.01 H new ATOM 0 HD11 LEU A 32 10.941 18.429 10.610 1.00 52.30 H new ATOM 0 HD12 LEU A 32 10.272 16.797 10.373 1.00 52.30 H new ATOM 0 HD13 LEU A 32 10.288 17.525 11.997 1.00 52.30 H new ATOM 0 HD21 LEU A 32 13.108 18.737 11.745 1.00 5.30 H new ATOM 0 HD22 LEU A 32 12.541 17.844 13.176 1.00 5.30 H new ATOM 0 HD23 LEU A 32 14.023 17.330 12.337 1.00 5.30 H new ATOM 492 N GLN A 33 9.114 14.448 13.055 1.00 25.11 N ATOM 493 CA GLN A 33 8.109 13.392 13.041 1.00 10.01 C ATOM 494 C GLN A 33 8.043 12.721 11.673 1.00 52.50 C ATOM 495 O GLN A 33 8.300 11.525 11.544 1.00 53.33 O ATOM 496 CB GLN A 33 6.738 13.960 13.411 1.00 74.21 C ATOM 497 CG GLN A 33 5.660 12.898 13.561 1.00 10.23 C ATOM 498 CD GLN A 33 4.369 13.453 14.130 1.00 50.42 C ATOM 499 OE1 GLN A 33 4.048 14.627 13.941 1.00 41.11 O ATOM 500 NE2 GLN A 33 3.620 12.611 14.831 1.00 72.40 N ATOM 0 H GLN A 33 8.748 15.382 12.871 1.00 25.11 H new ATOM 0 HA GLN A 33 8.395 12.642 13.779 1.00 10.01 H new ATOM 0 HB2 GLN A 33 6.824 14.514 14.346 1.00 74.21 H new ATOM 0 HB3 GLN A 33 6.430 14.673 12.646 1.00 74.21 H new ATOM 0 HG2 GLN A 33 5.460 12.449 12.588 1.00 10.23 H new ATOM 0 HG3 GLN A 33 6.027 12.103 14.210 1.00 10.23 H new ATOM 0 HE21 GLN A 33 3.924 11.646 14.963 1.00 72.40 H new ATOM 0 HE22 GLN A 33 2.740 12.928 15.238 1.00 72.40 H new ATOM 509 N GLY A 34 7.696 13.501 10.653 1.00 12.12 N ATOM 510 CA GLY A 34 7.602 12.965 9.308 1.00 35.20 C ATOM 511 C GLY A 34 8.961 12.714 8.687 1.00 5.21 C ATOM 512 O GLY A 34 9.238 11.617 8.201 1.00 12.25 O ATOM 0 H GLY A 34 7.478 14.494 10.735 1.00 12.12 H new ATOM 0 HA2 GLY A 34 7.039 12.032 9.331 1.00 35.20 H new ATOM 0 HA3 GLY A 34 7.043 13.660 8.682 1.00 35.20 H new ATOM 516 N VAL A 35 9.814 13.734 8.701 1.00 54.43 N ATOM 517 CA VAL A 35 11.152 13.620 8.134 1.00 1.11 C ATOM 518 C VAL A 35 11.813 12.309 8.545 1.00 13.02 C ATOM 519 O VAL A 35 11.757 11.912 9.709 1.00 24.50 O ATOM 520 CB VAL A 35 12.049 14.793 8.572 1.00 51.44 C ATOM 521 CG1 VAL A 35 13.285 14.280 9.294 1.00 0.34 C ATOM 522 CG2 VAL A 35 12.437 15.643 7.371 1.00 24.01 C ATOM 0 H VAL A 35 9.602 14.649 9.099 1.00 54.43 H new ATOM 0 HA VAL A 35 11.039 13.643 7.050 1.00 1.11 H new ATOM 0 HB VAL A 35 11.487 15.419 9.265 1.00 51.44 H new ATOM 0 HG11 VAL A 35 13.906 15.123 9.596 1.00 0.34 H new ATOM 0 HG12 VAL A 35 12.983 13.717 10.177 1.00 0.34 H new ATOM 0 HG13 VAL A 35 13.853 13.631 8.627 1.00 0.34 H new ATOM 0 HG21 VAL A 35 13.071 16.467 7.698 1.00 24.01 H new ATOM 0 HG22 VAL A 35 12.981 15.030 6.652 1.00 24.01 H new ATOM 0 HG23 VAL A 35 11.538 16.041 6.901 1.00 24.01 H new ATOM 532 N VAL A 36 12.439 11.640 7.582 1.00 53.53 N ATOM 533 CA VAL A 36 13.112 10.374 7.843 1.00 2.12 C ATOM 534 C VAL A 36 14.577 10.595 8.205 1.00 34.03 C ATOM 535 O VAL A 36 15.089 10.000 9.153 1.00 33.35 O ATOM 536 CB VAL A 36 13.032 9.434 6.626 1.00 70.11 C ATOM 537 CG1 VAL A 36 13.310 7.997 7.041 1.00 0.34 C ATOM 538 CG2 VAL A 36 11.673 9.549 5.953 1.00 53.32 C ATOM 0 H VAL A 36 12.494 11.954 6.613 1.00 53.53 H new ATOM 0 HA VAL A 36 12.598 9.910 8.685 1.00 2.12 H new ATOM 0 HB VAL A 36 13.795 9.733 5.907 1.00 70.11 H new ATOM 0 HG11 VAL A 36 13.249 7.348 6.168 1.00 0.34 H new ATOM 0 HG12 VAL A 36 14.308 7.930 7.474 1.00 0.34 H new ATOM 0 HG13 VAL A 36 12.572 7.682 7.779 1.00 0.34 H new ATOM 0 HG21 VAL A 36 11.634 8.878 5.095 1.00 53.32 H new ATOM 0 HG22 VAL A 36 10.891 9.277 6.662 1.00 53.32 H new ATOM 0 HG23 VAL A 36 11.518 10.575 5.619 1.00 53.32 H new ATOM 548 N ARG A 37 15.245 11.455 7.444 1.00 24.02 N ATOM 549 CA ARG A 37 16.652 11.754 7.684 1.00 11.43 C ATOM 550 C ARG A 37 17.085 12.993 6.905 1.00 70.53 C ATOM 551 O ARG A 37 16.464 13.360 5.907 1.00 30.31 O ATOM 552 CB ARG A 37 17.524 10.560 7.291 1.00 12.44 C ATOM 553 CG ARG A 37 17.653 10.369 5.789 1.00 32.42 C ATOM 554 CD ARG A 37 18.598 9.226 5.453 1.00 45.34 C ATOM 555 NE ARG A 37 17.998 7.922 5.719 1.00 71.01 N ATOM 556 CZ ARG A 37 18.698 6.797 5.819 1.00 54.33 C ATOM 557 NH1 ARG A 37 20.016 6.818 5.676 1.00 75.44 N ATOM 558 NH2 ARG A 37 18.079 5.649 6.063 1.00 51.02 N ATOM 0 H ARG A 37 14.835 11.957 6.656 1.00 24.02 H new ATOM 0 HA ARG A 37 16.779 11.952 8.748 1.00 11.43 H new ATOM 0 HB2 ARG A 37 18.518 10.690 7.719 1.00 12.44 H new ATOM 0 HB3 ARG A 37 17.104 9.654 7.729 1.00 12.44 H new ATOM 0 HG2 ARG A 37 16.671 10.169 5.361 1.00 32.42 H new ATOM 0 HG3 ARG A 37 18.017 11.290 5.334 1.00 32.42 H new ATOM 0 HD2 ARG A 37 18.881 9.287 4.402 1.00 45.34 H new ATOM 0 HD3 ARG A 37 19.513 9.329 6.036 1.00 45.34 H new ATOM 0 HE ARG A 37 16.986 7.872 5.834 1.00 71.01 H new ATOM 0 HH11 ARG A 37 20.495 7.699 5.489 1.00 75.44 H new ATOM 0 HH12 ARG A 37 20.551 5.953 5.753 1.00 75.44 H new ATOM 0 HH21 ARG A 37 17.065 5.630 6.174 1.00 51.02 H new ATOM 0 HH22 ARG A 37 18.617 4.786 6.140 1.00 51.02 H new ATOM 572 N VAL A 38 18.154 13.633 7.367 1.00 23.31 N ATOM 573 CA VAL A 38 18.671 14.829 6.713 1.00 1.14 C ATOM 574 C VAL A 38 20.163 14.699 6.430 1.00 5.53 C ATOM 575 O VAL A 38 20.957 14.433 7.333 1.00 63.42 O ATOM 576 CB VAL A 38 18.430 16.086 7.571 1.00 74.34 C ATOM 577 CG1 VAL A 38 18.980 17.321 6.874 1.00 12.13 C ATOM 578 CG2 VAL A 38 16.947 16.249 7.871 1.00 62.42 C ATOM 0 H VAL A 38 18.679 13.343 8.192 1.00 23.31 H new ATOM 0 HA VAL A 38 18.133 14.932 5.771 1.00 1.14 H new ATOM 0 HB VAL A 38 18.958 15.967 8.517 1.00 74.34 H new ATOM 0 HG11 VAL A 38 18.801 18.199 7.494 1.00 12.13 H new ATOM 0 HG12 VAL A 38 20.052 17.202 6.715 1.00 12.13 H new ATOM 0 HG13 VAL A 38 18.482 17.448 5.913 1.00 12.13 H new ATOM 0 HG21 VAL A 38 16.794 17.142 8.478 1.00 62.42 H new ATOM 0 HG22 VAL A 38 16.395 16.347 6.936 1.00 62.42 H new ATOM 0 HG23 VAL A 38 16.587 15.375 8.414 1.00 62.42 H new ATOM 588 N LYS A 39 20.540 14.891 5.170 1.00 32.44 N ATOM 589 CA LYS A 39 21.938 14.797 4.766 1.00 13.34 C ATOM 590 C LYS A 39 22.462 16.153 4.303 1.00 73.30 C ATOM 591 O LYS A 39 21.911 16.762 3.386 1.00 61.12 O ATOM 592 CB LYS A 39 22.099 13.766 3.647 1.00 54.42 C ATOM 593 CG LYS A 39 23.544 13.392 3.368 1.00 71.11 C ATOM 594 CD LYS A 39 23.727 12.896 1.943 1.00 14.13 C ATOM 595 CE LYS A 39 25.197 12.824 1.563 1.00 64.05 C ATOM 596 NZ LYS A 39 25.386 12.342 0.166 1.00 12.11 N ATOM 0 H LYS A 39 19.896 15.113 4.411 1.00 32.44 H new ATOM 0 HA LYS A 39 22.520 14.478 5.631 1.00 13.34 H new ATOM 0 HB2 LYS A 39 21.544 12.866 3.911 1.00 54.42 H new ATOM 0 HB3 LYS A 39 21.652 14.160 2.734 1.00 54.42 H new ATOM 0 HG2 LYS A 39 24.184 14.258 3.538 1.00 71.11 H new ATOM 0 HG3 LYS A 39 23.862 12.618 4.067 1.00 71.11 H new ATOM 0 HD2 LYS A 39 23.274 11.910 1.839 1.00 14.13 H new ATOM 0 HD3 LYS A 39 23.204 13.561 1.255 1.00 14.13 H new ATOM 0 HE2 LYS A 39 25.649 13.810 1.671 1.00 64.05 H new ATOM 0 HE3 LYS A 39 25.718 12.158 2.251 1.00 64.05 H new ATOM 0 HZ1 LYS A 39 26.402 12.307 -0.055 1.00 12.11 H new ATOM 0 HZ2 LYS A 39 24.978 11.391 0.069 1.00 12.11 H new ATOM 0 HZ3 LYS A 39 24.911 12.992 -0.493 1.00 12.11 H new ATOM 610 N VAL A 40 23.530 16.619 4.942 1.00 50.10 N ATOM 611 CA VAL A 40 24.130 17.901 4.593 1.00 1.43 C ATOM 612 C VAL A 40 25.518 17.713 3.992 1.00 5.14 C ATOM 613 O VAL A 40 26.359 17.009 4.553 1.00 14.41 O ATOM 614 CB VAL A 40 24.235 18.824 5.822 1.00 42.42 C ATOM 615 CG1 VAL A 40 24.737 20.201 5.414 1.00 12.31 C ATOM 616 CG2 VAL A 40 22.892 18.925 6.529 1.00 51.14 C ATOM 0 H VAL A 40 23.997 16.128 5.704 1.00 50.10 H new ATOM 0 HA VAL A 40 23.477 18.365 3.854 1.00 1.43 H new ATOM 0 HB VAL A 40 24.954 18.393 6.518 1.00 42.42 H new ATOM 0 HG11 VAL A 40 24.805 20.839 6.295 1.00 12.31 H new ATOM 0 HG12 VAL A 40 25.722 20.108 4.956 1.00 12.31 H new ATOM 0 HG13 VAL A 40 24.044 20.643 4.698 1.00 12.31 H new ATOM 0 HG21 VAL A 40 22.985 19.581 7.395 1.00 51.14 H new ATOM 0 HG22 VAL A 40 22.149 19.333 5.843 1.00 51.14 H new ATOM 0 HG23 VAL A 40 22.578 17.934 6.857 1.00 51.14 H new ATOM 626 N SER A 41 25.753 18.347 2.848 1.00 0.31 N ATOM 627 CA SER A 41 27.039 18.247 2.168 1.00 3.34 C ATOM 628 C SER A 41 27.784 19.578 2.216 1.00 10.05 C ATOM 629 O SER A 41 27.434 20.525 1.510 1.00 22.41 O ATOM 630 CB SER A 41 26.840 17.814 0.715 1.00 75.02 C ATOM 631 OG SER A 41 28.068 17.425 0.125 1.00 1.32 O ATOM 0 H SER A 41 25.069 18.936 2.372 1.00 0.31 H new ATOM 0 HA SER A 41 27.637 17.496 2.684 1.00 3.34 H new ATOM 0 HB2 SER A 41 26.134 16.984 0.673 1.00 75.02 H new ATOM 0 HB3 SER A 41 26.403 18.634 0.145 1.00 75.02 H new ATOM 0 HG SER A 41 27.913 17.151 -0.803 1.00 1.32 H new ATOM 637 N LEU A 42 28.813 19.643 3.055 1.00 74.15 N ATOM 638 CA LEU A 42 29.609 20.857 3.196 1.00 14.23 C ATOM 639 C LEU A 42 30.424 21.124 1.935 1.00 1.12 C ATOM 640 O LEU A 42 30.713 22.273 1.603 1.00 44.53 O ATOM 641 CB LEU A 42 30.540 20.742 4.405 1.00 55.24 C ATOM 642 CG LEU A 42 31.812 19.921 4.196 1.00 61.44 C ATOM 643 CD1 LEU A 42 32.806 20.182 5.316 1.00 22.25 C ATOM 644 CD2 LEU A 42 31.481 18.438 4.108 1.00 22.25 C ATOM 0 H LEU A 42 29.115 18.869 3.647 1.00 74.15 H new ATOM 0 HA LEU A 42 28.927 21.694 3.348 1.00 14.23 H new ATOM 0 HB2 LEU A 42 30.827 21.747 4.714 1.00 55.24 H new ATOM 0 HB3 LEU A 42 29.979 20.302 5.230 1.00 55.24 H new ATOM 0 HG LEU A 42 32.269 20.227 3.255 1.00 61.44 H new ATOM 0 HD11 LEU A 42 33.705 19.589 5.150 1.00 22.25 H new ATOM 0 HD12 LEU A 42 33.067 21.240 5.331 1.00 22.25 H new ATOM 0 HD13 LEU A 42 32.359 19.905 6.271 1.00 22.25 H new ATOM 0 HD21 LEU A 42 32.398 17.869 3.959 1.00 22.25 H new ATOM 0 HD22 LEU A 42 31.001 18.117 5.032 1.00 22.25 H new ATOM 0 HD23 LEU A 42 30.806 18.265 3.269 1.00 22.25 H new ATOM 656 N SER A 43 30.790 20.055 1.236 1.00 70.41 N ATOM 657 CA SER A 43 31.573 20.173 0.012 1.00 45.12 C ATOM 658 C SER A 43 30.734 20.768 -1.115 1.00 3.01 C ATOM 659 O SER A 43 31.255 21.445 -2.000 1.00 70.03 O ATOM 660 CB SER A 43 32.114 18.805 -0.407 1.00 71.44 C ATOM 661 OG SER A 43 33.082 18.931 -1.434 1.00 42.32 O ATOM 0 H SER A 43 30.557 19.097 1.496 1.00 70.41 H new ATOM 0 HA SER A 43 32.411 20.842 0.210 1.00 45.12 H new ATOM 0 HB2 SER A 43 32.557 18.306 0.455 1.00 71.44 H new ATOM 0 HB3 SER A 43 31.293 18.176 -0.752 1.00 71.44 H new ATOM 0 HG SER A 43 33.413 18.043 -1.682 1.00 42.32 H new ATOM 667 N ASN A 44 29.431 20.509 -1.074 1.00 2.33 N ATOM 668 CA ASN A 44 28.518 21.018 -2.091 1.00 4.10 C ATOM 669 C ASN A 44 27.770 22.247 -1.584 1.00 54.13 C ATOM 670 O ASN A 44 26.969 22.839 -2.307 1.00 43.44 O ATOM 671 CB ASN A 44 27.521 19.932 -2.500 1.00 43.32 C ATOM 672 CG ASN A 44 27.473 19.728 -4.002 1.00 61.11 C ATOM 673 OD1 ASN A 44 27.594 18.604 -4.491 1.00 51.50 O ATOM 674 ND2 ASN A 44 27.296 20.816 -4.742 1.00 2.42 N ATOM 0 H ASN A 44 28.984 19.950 -0.348 1.00 2.33 H new ATOM 0 HA ASN A 44 29.107 21.307 -2.961 1.00 4.10 H new ATOM 0 HB2 ASN A 44 27.792 18.993 -2.017 1.00 43.32 H new ATOM 0 HB3 ASN A 44 26.528 20.200 -2.140 1.00 43.32 H new ATOM 0 HD21 ASN A 44 27.256 20.740 -5.758 1.00 2.42 H new ATOM 0 HD22 ASN A 44 27.200 21.727 -4.294 1.00 2.42 H new ATOM 681 N GLN A 45 28.037 22.624 -0.338 1.00 34.31 N ATOM 682 CA GLN A 45 27.388 23.782 0.265 1.00 32.01 C ATOM 683 C GLN A 45 25.875 23.712 0.087 1.00 13.42 C ATOM 684 O GLN A 45 25.225 24.723 -0.179 1.00 20.12 O ATOM 685 CB GLN A 45 27.927 25.074 -0.352 1.00 31.30 C ATOM 686 CG GLN A 45 29.432 25.064 -0.565 1.00 1.31 C ATOM 687 CD GLN A 45 30.011 26.459 -0.697 1.00 64.14 C ATOM 688 OE1 GLN A 45 29.319 27.454 -0.483 1.00 1.32 O ATOM 689 NE2 GLN A 45 31.288 26.538 -1.053 1.00 4.43 N ATOM 0 H GLN A 45 28.698 22.145 0.273 1.00 34.31 H new ATOM 0 HA GLN A 45 27.610 23.777 1.332 1.00 32.01 H new ATOM 0 HB2 GLN A 45 27.434 25.243 -1.309 1.00 31.30 H new ATOM 0 HB3 GLN A 45 27.665 25.912 0.294 1.00 31.30 H new ATOM 0 HG2 GLN A 45 29.910 24.554 0.271 1.00 1.31 H new ATOM 0 HG3 GLN A 45 29.664 24.492 -1.463 1.00 1.31 H new ATOM 0 HE21 GLN A 45 31.824 25.687 -1.220 1.00 4.43 H new ATOM 0 HE22 GLN A 45 31.732 27.450 -1.159 1.00 4.43 H new ATOM 698 N GLU A 46 25.321 22.513 0.235 1.00 32.05 N ATOM 699 CA GLU A 46 23.884 22.313 0.090 1.00 71.43 C ATOM 700 C GLU A 46 23.327 21.497 1.253 1.00 65.30 C ATOM 701 O GLU A 46 24.081 20.915 2.033 1.00 34.02 O ATOM 702 CB GLU A 46 23.576 21.609 -1.234 1.00 43.40 C ATOM 703 CG GLU A 46 23.610 20.093 -1.140 1.00 43.20 C ATOM 704 CD GLU A 46 23.864 19.431 -2.480 1.00 41.24 C ATOM 705 OE1 GLU A 46 23.649 20.092 -3.518 1.00 52.20 O ATOM 706 OE2 GLU A 46 24.277 18.253 -2.492 1.00 63.01 O ATOM 0 H GLU A 46 25.845 21.666 0.455 1.00 32.05 H new ATOM 0 HA GLU A 46 23.405 23.292 0.094 1.00 71.43 H new ATOM 0 HB2 GLU A 46 22.591 21.921 -1.581 1.00 43.40 H new ATOM 0 HB3 GLU A 46 24.296 21.934 -1.985 1.00 43.40 H new ATOM 0 HG2 GLU A 46 24.388 19.794 -0.438 1.00 43.20 H new ATOM 0 HG3 GLU A 46 22.662 19.736 -0.737 1.00 43.20 H new ATOM 713 N ALA A 47 22.003 21.460 1.362 1.00 25.33 N ATOM 714 CA ALA A 47 21.345 20.715 2.428 1.00 25.24 C ATOM 715 C ALA A 47 20.248 19.814 1.872 1.00 12.12 C ATOM 716 O ALA A 47 19.350 20.275 1.167 1.00 44.32 O ATOM 717 CB ALA A 47 20.772 21.671 3.464 1.00 22.31 C ATOM 0 H ALA A 47 21.365 21.937 0.725 1.00 25.33 H new ATOM 0 HA ALA A 47 22.090 20.081 2.908 1.00 25.24 H new ATOM 0 HB1 ALA A 47 20.283 21.101 4.254 1.00 22.31 H new ATOM 0 HB2 ALA A 47 21.577 22.269 3.892 1.00 22.31 H new ATOM 0 HB3 ALA A 47 20.045 22.329 2.989 1.00 22.31 H new ATOM 723 N VAL A 48 20.326 18.527 2.194 1.00 74.45 N ATOM 724 CA VAL A 48 19.338 17.561 1.726 1.00 23.01 C ATOM 725 C VAL A 48 18.436 17.102 2.866 1.00 54.51 C ATOM 726 O VAL A 48 18.914 16.694 3.924 1.00 24.22 O ATOM 727 CB VAL A 48 20.013 16.330 1.093 1.00 23.44 C ATOM 728 CG1 VAL A 48 18.981 15.446 0.410 1.00 15.40 C ATOM 729 CG2 VAL A 48 21.092 16.760 0.111 1.00 24.13 C ATOM 0 H VAL A 48 21.062 18.129 2.777 1.00 74.45 H new ATOM 0 HA VAL A 48 18.736 18.065 0.970 1.00 23.01 H new ATOM 0 HB VAL A 48 20.485 15.750 1.885 1.00 23.44 H new ATOM 0 HG11 VAL A 48 19.477 14.582 -0.031 1.00 15.40 H new ATOM 0 HG12 VAL A 48 18.248 15.109 1.143 1.00 15.40 H new ATOM 0 HG13 VAL A 48 18.477 16.013 -0.372 1.00 15.40 H new ATOM 0 HG21 VAL A 48 21.558 15.877 -0.327 1.00 24.13 H new ATOM 0 HG22 VAL A 48 20.645 17.364 -0.679 1.00 24.13 H new ATOM 0 HG23 VAL A 48 21.847 17.347 0.634 1.00 24.13 H new ATOM 739 N ILE A 49 17.128 17.173 2.642 1.00 33.33 N ATOM 740 CA ILE A 49 16.158 16.763 3.650 1.00 12.13 C ATOM 741 C ILE A 49 15.240 15.668 3.117 1.00 22.04 C ATOM 742 O ILE A 49 14.481 15.883 2.172 1.00 42.43 O ATOM 743 CB ILE A 49 15.300 17.952 4.122 1.00 73.03 C ATOM 744 CG1 ILE A 49 16.195 19.114 4.556 1.00 15.53 C ATOM 745 CG2 ILE A 49 14.385 17.526 5.260 1.00 12.33 C ATOM 746 CD1 ILE A 49 16.437 20.132 3.463 1.00 31.24 C ATOM 0 H ILE A 49 16.716 17.510 1.772 1.00 33.33 H new ATOM 0 HA ILE A 49 16.727 16.377 4.496 1.00 12.13 H new ATOM 0 HB ILE A 49 14.680 18.287 3.290 1.00 73.03 H new ATOM 0 HG12 ILE A 49 15.740 19.613 5.411 1.00 15.53 H new ATOM 0 HG13 ILE A 49 17.154 18.718 4.891 1.00 15.53 H new ATOM 0 HG21 ILE A 49 13.785 18.377 5.583 1.00 12.33 H new ATOM 0 HG22 ILE A 49 13.727 16.727 4.918 1.00 12.33 H new ATOM 0 HG23 ILE A 49 14.986 17.168 6.096 1.00 12.33 H new ATOM 0 HD11 ILE A 49 17.079 20.927 3.842 1.00 31.24 H new ATOM 0 HD12 ILE A 49 16.921 19.647 2.615 1.00 31.24 H new ATOM 0 HD13 ILE A 49 15.485 20.556 3.144 1.00 31.24 H new ATOM 758 N THR A 50 15.313 14.491 3.732 1.00 44.24 N ATOM 759 CA THR A 50 14.489 13.362 3.320 1.00 23.32 C ATOM 760 C THR A 50 13.252 13.234 4.201 1.00 12.20 C ATOM 761 O THR A 50 13.357 13.096 5.420 1.00 61.10 O ATOM 762 CB THR A 50 15.280 12.041 3.372 1.00 44.05 C ATOM 763 OG1 THR A 50 16.488 12.164 2.613 1.00 65.33 O ATOM 764 CG2 THR A 50 14.448 10.890 2.827 1.00 50.23 C ATOM 0 H THR A 50 15.934 14.296 4.517 1.00 44.24 H new ATOM 0 HA THR A 50 14.182 13.554 2.292 1.00 23.32 H new ATOM 0 HB THR A 50 15.525 11.830 4.413 1.00 44.05 H new ATOM 0 HG1 THR A 50 16.986 11.321 2.652 1.00 65.33 H new ATOM 0 HG21 THR A 50 15.028 9.968 2.874 1.00 50.23 H new ATOM 0 HG22 THR A 50 13.543 10.781 3.424 1.00 50.23 H new ATOM 0 HG23 THR A 50 14.177 11.096 1.792 1.00 50.23 H new ATOM 772 N TYR A 51 12.080 13.281 3.577 1.00 1.01 N ATOM 773 CA TYR A 51 10.822 13.172 4.305 1.00 15.43 C ATOM 774 C TYR A 51 9.852 12.243 3.581 1.00 13.54 C ATOM 775 O TYR A 51 10.138 11.763 2.485 1.00 31.12 O ATOM 776 CB TYR A 51 10.188 14.554 4.480 1.00 61.33 C ATOM 777 CG TYR A 51 9.369 14.999 3.289 1.00 33.35 C ATOM 778 CD1 TYR A 51 9.948 15.131 2.033 1.00 12.33 C ATOM 779 CD2 TYR A 51 8.016 15.287 3.421 1.00 41.51 C ATOM 780 CE1 TYR A 51 9.203 15.538 0.943 1.00 43.30 C ATOM 781 CE2 TYR A 51 7.264 15.694 2.336 1.00 73.41 C ATOM 782 CZ TYR A 51 7.862 15.818 1.099 1.00 33.32 C ATOM 783 OH TYR A 51 7.116 16.223 0.016 1.00 11.33 O ATOM 0 H TYR A 51 11.975 13.394 2.569 1.00 1.01 H new ATOM 0 HA TYR A 51 11.036 12.750 5.287 1.00 15.43 H new ATOM 0 HB2 TYR A 51 9.551 14.543 5.365 1.00 61.33 H new ATOM 0 HB3 TYR A 51 10.975 15.285 4.663 1.00 61.33 H new ATOM 0 HD1 TYR A 51 10.998 14.912 1.907 1.00 12.33 H new ATOM 0 HD2 TYR A 51 7.545 15.191 4.388 1.00 41.51 H new ATOM 0 HE1 TYR A 51 9.669 15.636 -0.026 1.00 43.30 H new ATOM 0 HE2 TYR A 51 6.213 15.914 2.456 1.00 73.41 H new ATOM 0 HH TYR A 51 6.324 15.651 -0.068 1.00 11.33 H new ATOM 793 N GLN A 52 8.703 11.997 4.203 1.00 23.33 N ATOM 794 CA GLN A 52 7.690 11.126 3.619 1.00 65.40 C ATOM 795 C GLN A 52 6.363 11.860 3.467 1.00 14.21 C ATOM 796 O GLN A 52 5.918 12.580 4.361 1.00 11.41 O ATOM 797 CB GLN A 52 7.501 9.878 4.483 1.00 34.21 C ATOM 798 CG GLN A 52 7.271 8.609 3.678 1.00 51.13 C ATOM 799 CD GLN A 52 7.530 7.351 4.483 1.00 13.45 C ATOM 800 OE1 GLN A 52 7.188 7.275 5.664 1.00 5.52 O ATOM 801 NE2 GLN A 52 8.136 6.355 3.848 1.00 12.32 N ATOM 0 H GLN A 52 8.451 12.388 5.111 1.00 23.33 H new ATOM 0 HA GLN A 52 8.033 10.825 2.629 1.00 65.40 H new ATOM 0 HB2 GLN A 52 8.381 9.745 5.112 1.00 34.21 H new ATOM 0 HB3 GLN A 52 6.653 10.033 5.150 1.00 34.21 H new ATOM 0 HG2 GLN A 52 6.244 8.597 3.312 1.00 51.13 H new ATOM 0 HG3 GLN A 52 7.921 8.616 2.803 1.00 51.13 H new ATOM 0 HE21 GLN A 52 8.402 6.461 2.869 1.00 12.32 H new ATOM 0 HE22 GLN A 52 8.336 5.484 4.339 1.00 12.32 H new ATOM 810 N PRO A 53 5.713 11.676 2.308 1.00 20.11 N ATOM 811 CA PRO A 53 4.426 12.313 2.012 1.00 63.21 C ATOM 812 C PRO A 53 3.290 11.742 2.853 1.00 74.22 C ATOM 813 O PRO A 53 2.263 12.392 3.050 1.00 40.32 O ATOM 814 CB PRO A 53 4.207 11.996 0.530 1.00 13.24 C ATOM 815 CG PRO A 53 4.989 10.752 0.289 1.00 61.31 C ATOM 816 CD PRO A 53 6.184 10.831 1.198 1.00 43.01 C ATOM 0 HA PRO A 53 4.437 13.379 2.237 1.00 63.21 H new ATOM 0 HB2 PRO A 53 3.150 11.848 0.309 1.00 13.24 H new ATOM 0 HB3 PRO A 53 4.554 12.811 -0.105 1.00 13.24 H new ATOM 0 HG2 PRO A 53 4.391 9.867 0.507 1.00 61.31 H new ATOM 0 HG3 PRO A 53 5.296 10.680 -0.754 1.00 61.31 H new ATOM 0 HD2 PRO A 53 6.490 9.844 1.546 1.00 43.01 H new ATOM 0 HD3 PRO A 53 7.044 11.272 0.694 1.00 43.01 H new ATOM 824 N TYR A 54 3.480 10.523 3.346 1.00 14.44 N ATOM 825 CA TYR A 54 2.469 9.864 4.165 1.00 51.21 C ATOM 826 C TYR A 54 2.518 10.370 5.603 1.00 11.14 C ATOM 827 O TYR A 54 1.588 10.154 6.382 1.00 4.12 O ATOM 828 CB TYR A 54 2.670 8.348 4.138 1.00 4.25 C ATOM 829 CG TYR A 54 1.981 7.626 5.274 1.00 22.20 C ATOM 830 CD1 TYR A 54 2.608 7.467 6.504 1.00 32.20 C ATOM 831 CD2 TYR A 54 0.704 7.102 5.117 1.00 62.41 C ATOM 832 CE1 TYR A 54 1.982 6.807 7.544 1.00 4.03 C ATOM 833 CE2 TYR A 54 0.071 6.442 6.152 1.00 74.31 C ATOM 834 CZ TYR A 54 0.714 6.297 7.363 1.00 32.35 C ATOM 835 OH TYR A 54 0.087 5.639 8.397 1.00 74.34 O ATOM 0 H TYR A 54 4.324 9.971 3.193 1.00 14.44 H new ATOM 0 HA TYR A 54 1.490 10.101 3.749 1.00 51.21 H new ATOM 0 HB2 TYR A 54 2.297 7.957 3.191 1.00 4.25 H new ATOM 0 HB3 TYR A 54 3.737 8.131 4.175 1.00 4.25 H new ATOM 0 HD1 TYR A 54 3.601 7.866 6.649 1.00 32.20 H new ATOM 0 HD2 TYR A 54 0.198 7.213 4.170 1.00 62.41 H new ATOM 0 HE1 TYR A 54 2.483 6.691 8.494 1.00 4.03 H new ATOM 0 HE2 TYR A 54 -0.922 6.042 6.013 1.00 74.31 H new ATOM 0 HH TYR A 54 -0.801 5.343 8.106 1.00 74.34 H new ATOM 845 N LEU A 55 3.609 11.045 5.949 1.00 14.11 N ATOM 846 CA LEU A 55 3.781 11.584 7.294 1.00 72.31 C ATOM 847 C LEU A 55 3.648 13.103 7.293 1.00 43.31 C ATOM 848 O LEU A 55 2.665 13.651 7.792 1.00 31.44 O ATOM 849 CB LEU A 55 5.145 11.180 7.856 1.00 60.34 C ATOM 850 CG LEU A 55 5.479 9.689 7.799 1.00 21.44 C ATOM 851 CD1 LEU A 55 6.972 9.469 7.988 1.00 20.42 C ATOM 852 CD2 LEU A 55 4.688 8.925 8.851 1.00 23.25 C ATOM 0 H LEU A 55 4.388 11.232 5.317 1.00 14.11 H new ATOM 0 HA LEU A 55 2.997 11.170 7.928 1.00 72.31 H new ATOM 0 HB2 LEU A 55 5.916 11.726 7.312 1.00 60.34 H new ATOM 0 HB3 LEU A 55 5.198 11.504 8.895 1.00 60.34 H new ATOM 0 HG LEU A 55 5.198 9.310 6.816 1.00 21.44 H new ATOM 0 HD11 LEU A 55 7.191 8.402 7.944 1.00 20.42 H new ATOM 0 HD12 LEU A 55 7.519 9.984 7.198 1.00 20.42 H new ATOM 0 HD13 LEU A 55 7.278 9.863 8.957 1.00 20.42 H new ATOM 0 HD21 LEU A 55 4.938 7.866 8.796 1.00 23.25 H new ATOM 0 HD22 LEU A 55 4.937 9.306 9.841 1.00 23.25 H new ATOM 0 HD23 LEU A 55 3.621 9.056 8.670 1.00 23.25 H new ATOM 864 N ILE A 56 4.643 13.778 6.727 1.00 2.32 N ATOM 865 CA ILE A 56 4.636 15.234 6.658 1.00 13.33 C ATOM 866 C ILE A 56 4.780 15.717 5.219 1.00 1.21 C ATOM 867 O ILE A 56 5.309 15.005 4.366 1.00 43.50 O ATOM 868 CB ILE A 56 5.766 15.844 7.508 1.00 21.13 C ATOM 869 CG1 ILE A 56 5.576 17.357 7.639 1.00 24.52 C ATOM 870 CG2 ILE A 56 7.121 15.526 6.894 1.00 22.32 C ATOM 871 CD1 ILE A 56 6.637 18.028 8.483 1.00 21.22 C ATOM 0 H ILE A 56 5.464 13.340 6.310 1.00 2.32 H new ATOM 0 HA ILE A 56 3.676 15.564 7.055 1.00 13.33 H new ATOM 0 HB ILE A 56 5.728 15.405 8.505 1.00 21.13 H new ATOM 0 HG12 ILE A 56 5.579 17.803 6.644 1.00 24.52 H new ATOM 0 HG13 ILE A 56 4.597 17.556 8.075 1.00 24.52 H new ATOM 0 HG21 ILE A 56 7.910 15.964 7.506 1.00 22.32 H new ATOM 0 HG22 ILE A 56 7.255 14.445 6.848 1.00 22.32 H new ATOM 0 HG23 ILE A 56 7.171 15.941 5.887 1.00 22.32 H new ATOM 0 HD11 ILE A 56 6.439 19.099 8.532 1.00 21.22 H new ATOM 0 HD12 ILE A 56 6.620 17.609 9.489 1.00 21.22 H new ATOM 0 HD13 ILE A 56 7.617 17.860 8.036 1.00 21.22 H new ATOM 883 N GLN A 57 4.307 16.932 4.958 1.00 24.30 N ATOM 884 CA GLN A 57 4.385 17.510 3.622 1.00 42.22 C ATOM 885 C GLN A 57 5.717 18.224 3.414 1.00 21.42 C ATOM 886 O GLN A 57 6.466 18.479 4.357 1.00 21.24 O ATOM 887 CB GLN A 57 3.230 18.487 3.398 1.00 14.11 C ATOM 888 CG GLN A 57 2.101 17.912 2.558 1.00 33.11 C ATOM 889 CD GLN A 57 1.219 16.958 3.340 1.00 51.31 C ATOM 890 OE1 GLN A 57 1.024 15.809 2.944 1.00 24.43 O ATOM 891 NE2 GLN A 57 0.680 17.432 4.457 1.00 33.54 N ATOM 0 H GLN A 57 3.866 17.534 5.654 1.00 24.30 H new ATOM 0 HA GLN A 57 4.311 16.698 2.898 1.00 42.22 H new ATOM 0 HB2 GLN A 57 2.832 18.794 4.365 1.00 14.11 H new ATOM 0 HB3 GLN A 57 3.613 19.384 2.912 1.00 14.11 H new ATOM 0 HG2 GLN A 57 1.492 18.727 2.168 1.00 33.11 H new ATOM 0 HG3 GLN A 57 2.522 17.390 1.699 1.00 33.11 H new ATOM 0 HE21 GLN A 57 0.869 18.391 4.747 1.00 33.54 H new ATOM 0 HE22 GLN A 57 0.077 16.837 5.025 1.00 33.54 H new ATOM 900 N PRO A 58 6.021 18.554 2.150 1.00 24.52 N ATOM 901 CA PRO A 58 7.264 19.242 1.789 1.00 1.22 C ATOM 902 C PRO A 58 7.289 20.687 2.276 1.00 54.12 C ATOM 903 O PRO A 58 8.291 21.152 2.818 1.00 71.43 O ATOM 904 CB PRO A 58 7.265 19.193 0.259 1.00 2.12 C ATOM 905 CG PRO A 58 5.828 19.080 -0.117 1.00 63.22 C ATOM 906 CD PRO A 58 5.176 18.280 0.976 1.00 14.13 C ATOM 0 HA PRO A 58 8.136 18.774 2.245 1.00 1.22 H new ATOM 0 HB2 PRO A 58 7.716 20.090 -0.166 1.00 2.12 H new ATOM 0 HB3 PRO A 58 7.839 18.343 -0.110 1.00 2.12 H new ATOM 0 HG2 PRO A 58 5.369 20.065 -0.207 1.00 63.22 H new ATOM 0 HG3 PRO A 58 5.715 18.587 -1.082 1.00 63.22 H new ATOM 0 HD2 PRO A 58 4.145 18.592 1.142 1.00 14.13 H new ATOM 0 HD3 PRO A 58 5.153 17.217 0.737 1.00 14.13 H new ATOM 914 N GLU A 59 6.179 21.392 2.079 1.00 52.01 N ATOM 915 CA GLU A 59 6.075 22.785 2.498 1.00 32.31 C ATOM 916 C GLU A 59 6.242 22.912 4.010 1.00 72.24 C ATOM 917 O GLU A 59 6.840 23.870 4.500 1.00 33.45 O ATOM 918 CB GLU A 59 4.727 23.369 2.072 1.00 15.50 C ATOM 919 CG GLU A 59 4.671 23.766 0.606 1.00 30.13 C ATOM 920 CD GLU A 59 3.451 24.603 0.274 1.00 10.02 C ATOM 921 OE1 GLU A 59 2.807 25.114 1.214 1.00 23.33 O ATOM 922 OE2 GLU A 59 3.140 24.747 -0.927 1.00 4.41 O ATOM 0 H GLU A 59 5.340 21.022 1.632 1.00 52.01 H new ATOM 0 HA GLU A 59 6.875 23.345 2.013 1.00 32.31 H new ATOM 0 HB2 GLU A 59 3.944 22.637 2.272 1.00 15.50 H new ATOM 0 HB3 GLU A 59 4.510 24.244 2.685 1.00 15.50 H new ATOM 0 HG2 GLU A 59 5.571 24.325 0.350 1.00 30.13 H new ATOM 0 HG3 GLU A 59 4.669 22.867 -0.010 1.00 30.13 H new ATOM 929 N ASP A 60 5.709 21.940 4.741 1.00 32.34 N ATOM 930 CA ASP A 60 5.799 21.941 6.197 1.00 54.40 C ATOM 931 C ASP A 60 7.240 21.737 6.653 1.00 71.42 C ATOM 932 O ASP A 60 7.716 22.413 7.566 1.00 74.21 O ATOM 933 CB ASP A 60 4.904 20.849 6.786 1.00 43.13 C ATOM 934 CG ASP A 60 3.854 21.406 7.726 1.00 33.54 C ATOM 935 OD1 ASP A 60 4.233 21.954 8.783 1.00 61.24 O ATOM 936 OD2 ASP A 60 2.652 21.294 7.406 1.00 21.40 O ATOM 0 H ASP A 60 5.210 21.141 4.350 1.00 32.34 H new ATOM 0 HA ASP A 60 5.458 22.912 6.556 1.00 54.40 H new ATOM 0 HB2 ASP A 60 4.413 20.310 5.976 1.00 43.13 H new ATOM 0 HB3 ASP A 60 5.521 20.127 7.322 1.00 43.13 H new ATOM 941 N LEU A 61 7.930 20.799 6.012 1.00 11.43 N ATOM 942 CA LEU A 61 9.318 20.504 6.352 1.00 15.23 C ATOM 943 C LEU A 61 10.231 21.665 5.970 1.00 74.42 C ATOM 944 O LEU A 61 11.285 21.863 6.574 1.00 14.42 O ATOM 945 CB LEU A 61 9.775 19.226 5.647 1.00 3.31 C ATOM 946 CG LEU A 61 10.532 19.419 4.333 1.00 43.43 C ATOM 947 CD1 LEU A 61 12.016 19.627 4.596 1.00 34.45 C ATOM 948 CD2 LEU A 61 10.314 18.228 3.412 1.00 71.05 C ATOM 0 H LEU A 61 7.551 20.230 5.255 1.00 11.43 H new ATOM 0 HA LEU A 61 9.380 20.358 7.430 1.00 15.23 H new ATOM 0 HB2 LEU A 61 10.412 18.665 6.331 1.00 3.31 H new ATOM 0 HB3 LEU A 61 8.898 18.610 5.451 1.00 3.31 H new ATOM 0 HG LEU A 61 10.143 20.310 3.840 1.00 43.43 H new ATOM 0 HD11 LEU A 61 12.538 19.763 3.649 1.00 34.45 H new ATOM 0 HD12 LEU A 61 12.155 20.512 5.217 1.00 34.45 H new ATOM 0 HD13 LEU A 61 12.420 18.756 5.111 1.00 34.45 H new ATOM 0 HD21 LEU A 61 10.860 18.383 2.482 1.00 71.05 H new ATOM 0 HD22 LEU A 61 10.675 17.321 3.898 1.00 71.05 H new ATOM 0 HD23 LEU A 61 9.251 18.125 3.196 1.00 71.05 H new ATOM 960 N ARG A 62 9.818 22.429 4.964 1.00 12.01 N ATOM 961 CA ARG A 62 10.598 23.570 4.502 1.00 40.53 C ATOM 962 C ARG A 62 10.826 24.567 5.634 1.00 3.41 C ATOM 963 O ARG A 62 11.926 25.096 5.797 1.00 24.42 O ATOM 964 CB ARG A 62 9.889 24.261 3.335 1.00 1.02 C ATOM 965 CG ARG A 62 10.828 24.691 2.220 1.00 24.31 C ATOM 966 CD ARG A 62 11.533 25.995 2.557 1.00 5.13 C ATOM 967 NE ARG A 62 11.196 27.059 1.615 1.00 23.03 N ATOM 968 CZ ARG A 62 11.790 28.247 1.606 1.00 55.53 C ATOM 969 NH1 ARG A 62 12.745 28.522 2.483 1.00 41.12 N ATOM 970 NH2 ARG A 62 11.427 29.164 0.717 1.00 25.01 N ATOM 0 H ARG A 62 8.948 22.278 4.454 1.00 12.01 H new ATOM 0 HA ARG A 62 11.567 23.202 4.164 1.00 40.53 H new ATOM 0 HB2 ARG A 62 9.138 23.585 2.926 1.00 1.02 H new ATOM 0 HB3 ARG A 62 9.359 25.137 3.710 1.00 1.02 H new ATOM 0 HG2 ARG A 62 11.569 23.910 2.045 1.00 24.31 H new ATOM 0 HG3 ARG A 62 10.265 24.809 1.294 1.00 24.31 H new ATOM 0 HD2 ARG A 62 11.260 26.304 3.566 1.00 5.13 H new ATOM 0 HD3 ARG A 62 12.611 25.836 2.553 1.00 5.13 H new ATOM 0 HE ARG A 62 10.465 26.880 0.927 1.00 23.03 H new ATOM 0 HH11 ARG A 62 13.026 27.820 3.168 1.00 41.12 H new ATOM 0 HH12 ARG A 62 13.199 29.435 2.473 1.00 41.12 H new ATOM 0 HH21 ARG A 62 10.692 28.956 0.041 1.00 25.01 H new ATOM 0 HH22 ARG A 62 11.883 30.076 0.710 1.00 25.01 H new ATOM 984 N ASP A 63 9.780 24.820 6.413 1.00 41.13 N ATOM 985 CA ASP A 63 9.866 25.753 7.530 1.00 2.12 C ATOM 986 C ASP A 63 10.805 25.223 8.609 1.00 3.33 C ATOM 987 O ASP A 63 11.456 25.995 9.314 1.00 10.25 O ATOM 988 CB ASP A 63 8.478 26.003 8.122 1.00 21.51 C ATOM 989 CG ASP A 63 8.509 26.985 9.277 1.00 60.43 C ATOM 990 OD1 ASP A 63 9.497 27.741 9.386 1.00 73.34 O ATOM 991 OD2 ASP A 63 7.546 26.996 10.072 1.00 51.51 O ATOM 0 H ASP A 63 8.862 24.392 6.291 1.00 41.13 H new ATOM 0 HA ASP A 63 10.267 26.695 7.155 1.00 2.12 H new ATOM 0 HB2 ASP A 63 7.817 26.384 7.343 1.00 21.51 H new ATOM 0 HB3 ASP A 63 8.056 25.058 8.464 1.00 21.51 H new ATOM 996 N HIS A 64 10.870 23.901 8.733 1.00 1.45 N ATOM 997 CA HIS A 64 11.729 23.268 9.727 1.00 4.14 C ATOM 998 C HIS A 64 13.201 23.472 9.382 1.00 65.21 C ATOM 999 O HIS A 64 14.034 23.681 10.265 1.00 52.15 O ATOM 1000 CB HIS A 64 11.418 21.774 9.824 1.00 42.21 C ATOM 1001 CG HIS A 64 11.516 21.231 11.216 1.00 34.22 C ATOM 1002 ND1 HIS A 64 10.530 20.457 11.793 1.00 44.32 N ATOM 1003 CD2 HIS A 64 12.490 21.352 12.148 1.00 62.34 C ATOM 1004 CE1 HIS A 64 10.894 20.127 13.019 1.00 0.32 C ATOM 1005 NE2 HIS A 64 12.080 20.657 13.259 1.00 51.21 N ATOM 0 H HIS A 64 10.338 23.248 8.158 1.00 1.45 H new ATOM 0 HA HIS A 64 11.532 23.736 10.692 1.00 4.14 H new ATOM 0 HB2 HIS A 64 10.413 21.595 9.443 1.00 42.21 H new ATOM 0 HB3 HIS A 64 12.105 21.226 9.180 1.00 42.21 H new ATOM 0 HD1 HIS A 64 9.657 20.183 11.343 1.00 44.32 H new ATOM 0 HD2 HIS A 64 13.417 21.894 12.038 1.00 62.34 H new ATOM 0 HE1 HIS A 64 10.320 19.526 13.708 1.00 0.32 H new ATOM 1013 N VAL A 65 13.516 23.408 8.092 1.00 51.42 N ATOM 1014 CA VAL A 65 14.887 23.586 7.630 1.00 41.15 C ATOM 1015 C VAL A 65 15.392 24.992 7.933 1.00 15.42 C ATOM 1016 O VAL A 65 16.505 25.171 8.424 1.00 64.41 O ATOM 1017 CB VAL A 65 15.008 23.325 6.116 1.00 14.04 C ATOM 1018 CG1 VAL A 65 16.468 23.303 5.693 1.00 63.22 C ATOM 1019 CG2 VAL A 65 14.316 22.022 5.744 1.00 1.13 C ATOM 0 H VAL A 65 12.840 23.234 7.348 1.00 51.42 H new ATOM 0 HA VAL A 65 15.498 22.860 8.167 1.00 41.15 H new ATOM 0 HB VAL A 65 14.513 24.137 5.584 1.00 14.04 H new ATOM 0 HG11 VAL A 65 16.533 23.117 4.621 1.00 63.22 H new ATOM 0 HG12 VAL A 65 16.928 24.264 5.924 1.00 63.22 H new ATOM 0 HG13 VAL A 65 16.991 22.512 6.231 1.00 63.22 H new ATOM 0 HG21 VAL A 65 14.411 21.853 4.671 1.00 1.13 H new ATOM 0 HG22 VAL A 65 14.780 21.197 6.284 1.00 1.13 H new ATOM 0 HG23 VAL A 65 13.261 22.082 6.010 1.00 1.13 H new ATOM 1029 N ASN A 66 14.563 25.989 7.638 1.00 30.12 N ATOM 1030 CA ASN A 66 14.925 27.381 7.880 1.00 70.23 C ATOM 1031 C ASN A 66 15.092 27.648 9.372 1.00 12.35 C ATOM 1032 O ASN A 66 15.865 28.518 9.775 1.00 21.42 O ATOM 1033 CB ASN A 66 13.861 28.314 7.299 1.00 41.43 C ATOM 1034 CG ASN A 66 13.974 29.727 7.839 1.00 62.12 C ATOM 1035 OD1 ASN A 66 14.954 30.426 7.579 1.00 14.12 O ATOM 1036 ND2 ASN A 66 12.969 30.153 8.595 1.00 3.21 N ATOM 0 H ASN A 66 13.637 25.859 7.231 1.00 30.12 H new ATOM 0 HA ASN A 66 15.877 27.574 7.386 1.00 70.23 H new ATOM 0 HB2 ASN A 66 13.953 28.334 6.213 1.00 41.43 H new ATOM 0 HB3 ASN A 66 12.871 27.919 7.527 1.00 41.43 H new ATOM 0 HD21 ASN A 66 12.989 31.095 8.987 1.00 3.21 H new ATOM 0 HD22 ASN A 66 12.177 29.539 8.784 1.00 3.21 H new ATOM 1043 N ASP A 67 14.362 26.895 10.188 1.00 41.21 N ATOM 1044 CA ASP A 67 14.430 27.049 11.636 1.00 0.25 C ATOM 1045 C ASP A 67 15.861 26.873 12.135 1.00 11.22 C ATOM 1046 O ASP A 67 16.220 27.363 13.205 1.00 1.04 O ATOM 1047 CB ASP A 67 13.510 26.038 12.322 1.00 72.00 C ATOM 1048 CG ASP A 67 13.035 26.515 13.680 1.00 13.42 C ATOM 1049 OD1 ASP A 67 13.107 27.735 13.939 1.00 14.13 O ATOM 1050 OD2 ASP A 67 12.590 25.669 14.484 1.00 40.43 O ATOM 0 H ASP A 67 13.716 26.172 9.871 1.00 41.21 H new ATOM 0 HA ASP A 67 14.099 28.057 11.885 1.00 0.25 H new ATOM 0 HB2 ASP A 67 12.646 25.847 11.685 1.00 72.00 H new ATOM 0 HB3 ASP A 67 14.037 25.091 12.437 1.00 72.00 H new ATOM 1055 N MET A 68 16.673 26.170 11.352 1.00 34.14 N ATOM 1056 CA MET A 68 18.065 25.929 11.715 1.00 14.50 C ATOM 1057 C MET A 68 18.861 27.230 11.706 1.00 1.44 C ATOM 1058 O MET A 68 19.976 27.290 12.224 1.00 52.35 O ATOM 1059 CB MET A 68 18.698 24.923 10.752 1.00 2.52 C ATOM 1060 CG MET A 68 18.302 23.483 11.031 1.00 31.31 C ATOM 1061 SD MET A 68 19.053 22.835 12.537 1.00 61.33 S ATOM 1062 CE MET A 68 17.759 23.166 13.730 1.00 23.42 C ATOM 0 H MET A 68 16.391 25.757 10.463 1.00 34.14 H new ATOM 0 HA MET A 68 18.086 25.518 12.724 1.00 14.50 H new ATOM 0 HB2 MET A 68 18.411 25.179 9.732 1.00 2.52 H new ATOM 0 HB3 MET A 68 19.783 25.011 10.810 1.00 2.52 H new ATOM 0 HG2 MET A 68 17.217 23.418 11.114 1.00 31.31 H new ATOM 0 HG3 MET A 68 18.595 22.860 10.186 1.00 31.31 H new ATOM 0 HE1 MET A 68 17.802 22.426 14.529 1.00 23.42 H new ATOM 0 HE2 MET A 68 17.898 24.162 14.150 1.00 23.42 H new ATOM 0 HE3 MET A 68 16.788 23.112 13.238 1.00 23.42 H new ATOM 1072 N GLY A 69 18.281 28.271 11.115 1.00 22.41 N ATOM 1073 CA GLY A 69 18.952 29.556 11.050 1.00 31.12 C ATOM 1074 C GLY A 69 19.889 29.662 9.863 1.00 33.32 C ATOM 1075 O GLY A 69 20.686 30.595 9.774 1.00 44.30 O ATOM 0 H GLY A 69 17.359 28.247 10.680 1.00 22.41 H new ATOM 0 HA2 GLY A 69 18.206 30.349 10.992 1.00 31.12 H new ATOM 0 HA3 GLY A 69 19.516 29.715 11.969 1.00 31.12 H new ATOM 1079 N PHE A 70 19.794 28.702 8.949 1.00 31.32 N ATOM 1080 CA PHE A 70 20.642 28.689 7.763 1.00 53.42 C ATOM 1081 C PHE A 70 20.025 29.525 6.645 1.00 72.11 C ATOM 1082 O PHE A 70 18.932 30.070 6.795 1.00 41.40 O ATOM 1083 CB PHE A 70 20.860 27.254 7.281 1.00 72.42 C ATOM 1084 CG PHE A 70 22.177 26.672 7.707 1.00 23.22 C ATOM 1085 CD1 PHE A 70 23.367 27.178 7.209 1.00 71.13 C ATOM 1086 CD2 PHE A 70 22.226 25.619 8.607 1.00 41.30 C ATOM 1087 CE1 PHE A 70 24.580 26.644 7.599 1.00 64.31 C ATOM 1088 CE2 PHE A 70 23.437 25.081 9.001 1.00 13.32 C ATOM 1089 CZ PHE A 70 24.615 25.595 8.497 1.00 5.02 C ATOM 0 H PHE A 70 19.138 27.923 9.007 1.00 31.32 H new ATOM 0 HA PHE A 70 21.605 29.125 8.030 1.00 53.42 H new ATOM 0 HB2 PHE A 70 20.054 26.625 7.661 1.00 72.42 H new ATOM 0 HB3 PHE A 70 20.797 27.231 6.193 1.00 72.42 H new ATOM 0 HD1 PHE A 70 23.346 27.999 6.508 1.00 71.13 H new ATOM 0 HD2 PHE A 70 21.307 25.214 9.005 1.00 41.30 H new ATOM 0 HE1 PHE A 70 25.500 27.046 7.202 1.00 64.31 H new ATOM 0 HE2 PHE A 70 23.461 24.260 9.702 1.00 13.32 H new ATOM 0 HZ PHE A 70 25.562 25.178 8.804 1.00 5.02 H new ATOM 1099 N GLU A 71 20.734 29.620 5.525 1.00 45.13 N ATOM 1100 CA GLU A 71 20.257 30.390 4.382 1.00 4.21 C ATOM 1101 C GLU A 71 19.704 29.469 3.298 1.00 4.51 C ATOM 1102 O GLU A 71 19.426 29.905 2.181 1.00 0.34 O ATOM 1103 CB GLU A 71 21.387 31.249 3.810 1.00 63.32 C ATOM 1104 CG GLU A 71 20.899 32.408 2.957 1.00 61.41 C ATOM 1105 CD GLU A 71 20.719 33.684 3.755 1.00 11.13 C ATOM 1106 OE1 GLU A 71 21.597 33.993 4.587 1.00 0.24 O ATOM 1107 OE2 GLU A 71 19.699 34.374 3.547 1.00 12.11 O ATOM 0 H GLU A 71 21.640 29.174 5.384 1.00 45.13 H new ATOM 0 HA GLU A 71 19.453 31.042 4.725 1.00 4.21 H new ATOM 0 HB2 GLU A 71 21.986 31.641 4.632 1.00 63.32 H new ATOM 0 HB3 GLU A 71 22.043 30.618 3.210 1.00 63.32 H new ATOM 0 HG2 GLU A 71 21.611 32.586 2.151 1.00 61.41 H new ATOM 0 HG3 GLU A 71 19.951 32.138 2.492 1.00 61.41 H new ATOM 1114 N ALA A 72 19.549 28.194 3.636 1.00 32.34 N ATOM 1115 CA ALA A 72 19.028 27.211 2.694 1.00 42.43 C ATOM 1116 C ALA A 72 17.892 27.797 1.862 1.00 44.23 C ATOM 1117 O ALA A 72 17.025 28.496 2.384 1.00 53.53 O ATOM 1118 CB ALA A 72 18.556 25.968 3.433 1.00 3.45 C ATOM 0 H ALA A 72 19.777 27.817 4.556 1.00 32.34 H new ATOM 0 HA ALA A 72 19.835 26.932 2.016 1.00 42.43 H new ATOM 0 HB1 ALA A 72 18.170 25.243 2.716 1.00 3.45 H new ATOM 0 HB2 ALA A 72 19.392 25.529 3.978 1.00 3.45 H new ATOM 0 HB3 ALA A 72 17.768 26.239 4.135 1.00 3.45 H new ATOM 1124 N ALA A 73 17.905 27.508 0.565 1.00 71.33 N ATOM 1125 CA ALA A 73 16.875 28.005 -0.339 1.00 20.10 C ATOM 1126 C ALA A 73 16.395 26.906 -1.281 1.00 54.54 C ATOM 1127 O ALA A 73 17.189 26.100 -1.765 1.00 61.41 O ATOM 1128 CB ALA A 73 17.398 29.193 -1.133 1.00 63.30 C ATOM 0 H ALA A 73 18.618 26.932 0.117 1.00 71.33 H new ATOM 0 HA ALA A 73 16.025 28.330 0.261 1.00 20.10 H new ATOM 0 HB1 ALA A 73 16.618 29.554 -1.804 1.00 63.30 H new ATOM 0 HB2 ALA A 73 17.685 29.991 -0.448 1.00 63.30 H new ATOM 0 HB3 ALA A 73 18.266 28.887 -1.717 1.00 63.30 H new ATOM 1134 N ILE A 74 15.091 26.881 -1.537 1.00 40.10 N ATOM 1135 CA ILE A 74 14.506 25.881 -2.422 1.00 11.51 C ATOM 1136 C ILE A 74 15.182 25.894 -3.789 1.00 23.35 C ATOM 1137 O ILE A 74 15.214 26.919 -4.469 1.00 51.31 O ATOM 1138 CB ILE A 74 12.994 26.110 -2.608 1.00 22.13 C ATOM 1139 CG1 ILE A 74 12.278 26.053 -1.257 1.00 11.21 C ATOM 1140 CG2 ILE A 74 12.416 25.077 -3.564 1.00 1.13 C ATOM 1141 CD1 ILE A 74 12.349 24.697 -0.592 1.00 31.53 C ATOM 0 H ILE A 74 14.420 27.541 -1.144 1.00 40.10 H new ATOM 0 HA ILE A 74 14.664 24.911 -1.950 1.00 11.51 H new ATOM 0 HB ILE A 74 12.841 27.100 -3.038 1.00 22.13 H new ATOM 0 HG12 ILE A 74 12.715 26.798 -0.592 1.00 11.21 H new ATOM 0 HG13 ILE A 74 11.232 26.325 -1.398 1.00 11.21 H new ATOM 0 HG21 ILE A 74 11.347 25.252 -3.685 1.00 1.13 H new ATOM 0 HG22 ILE A 74 12.910 25.161 -4.532 1.00 1.13 H new ATOM 0 HG23 ILE A 74 12.577 24.077 -3.160 1.00 1.13 H new ATOM 0 HD11 ILE A 74 11.821 24.731 0.361 1.00 31.53 H new ATOM 0 HD12 ILE A 74 11.886 23.951 -1.237 1.00 31.53 H new ATOM 0 HD13 ILE A 74 13.392 24.431 -0.419 1.00 31.53 H new ATOM 1153 N LYS A 75 15.722 24.746 -4.186 1.00 14.21 N ATOM 1154 CA LYS A 75 16.395 24.622 -5.473 1.00 43.10 C ATOM 1155 C LYS A 75 15.455 24.990 -6.617 1.00 24.42 C ATOM 1156 O LYS A 75 15.672 25.978 -7.318 1.00 23.02 O ATOM 1157 CB LYS A 75 16.915 23.195 -5.664 1.00 41.53 C ATOM 1158 CG LYS A 75 18.002 23.081 -6.719 1.00 23.53 C ATOM 1159 CD LYS A 75 18.840 21.829 -6.521 1.00 64.43 C ATOM 1160 CE LYS A 75 19.948 21.730 -7.559 1.00 72.33 C ATOM 1161 NZ LYS A 75 21.079 22.648 -7.252 1.00 63.04 N ATOM 0 H LYS A 75 15.706 23.888 -3.634 1.00 14.21 H new ATOM 0 HA LYS A 75 17.237 25.314 -5.483 1.00 43.10 H new ATOM 0 HB2 LYS A 75 17.303 22.828 -4.714 1.00 41.53 H new ATOM 0 HB3 LYS A 75 16.083 22.548 -5.940 1.00 41.53 H new ATOM 0 HG2 LYS A 75 17.548 23.064 -7.710 1.00 23.53 H new ATOM 0 HG3 LYS A 75 18.644 23.961 -6.678 1.00 23.53 H new ATOM 0 HD2 LYS A 75 19.276 21.836 -5.522 1.00 64.43 H new ATOM 0 HD3 LYS A 75 18.201 20.948 -6.584 1.00 64.43 H new ATOM 0 HE2 LYS A 75 20.314 20.704 -7.602 1.00 72.33 H new ATOM 0 HE3 LYS A 75 19.545 21.967 -8.544 1.00 72.33 H new ATOM 0 HZ1 LYS A 75 21.813 22.551 -7.982 1.00 63.04 H new ATOM 0 HZ2 LYS A 75 20.735 23.629 -7.235 1.00 63.04 H new ATOM 0 HZ3 LYS A 75 21.480 22.406 -6.323 1.00 63.04 H new ATOM 1175 N SER A 76 14.410 24.189 -6.799 1.00 24.43 N ATOM 1176 CA SER A 76 13.439 24.429 -7.859 1.00 74.30 C ATOM 1177 C SER A 76 12.065 24.744 -7.275 1.00 74.44 C ATOM 1178 O SER A 76 11.235 25.379 -7.924 1.00 74.51 O ATOM 1179 CB SER A 76 13.347 23.211 -8.781 1.00 12.30 C ATOM 1180 OG SER A 76 12.414 22.266 -8.287 1.00 13.43 O ATOM 0 H SER A 76 14.214 23.368 -6.226 1.00 24.43 H new ATOM 0 HA SER A 76 13.775 25.289 -8.438 1.00 74.30 H new ATOM 0 HB2 SER A 76 13.052 23.529 -9.781 1.00 12.30 H new ATOM 0 HB3 SER A 76 14.328 22.745 -8.872 1.00 12.30 H new ATOM 0 HG SER A 76 12.373 21.498 -8.895 1.00 13.43 H new TER 1186 SER A 76