USER MOD reduce.3.24.130724 H: found=0, std=0, add=610, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 610 hydrogens (32 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 NoAdj-H: A 15 HIS HE2 : A 15 HIS NE2 : A 90 HECFE :(H bumps) USER MOD NoAdj-H: A 90 HEC HAC : A 90 HEC CAC : A 14 CYS SG :(H bumps) USER MOD NoAdj-H: A 90 HEC HAB : A 90 HEC CAB : A 11 CYS SG :(H bumps) USER MOD NoAdj-H: A 90 HEC H2A : A 90 HEC O2A : A 90 HEC CGA :(short bond) USER MOD Set 1.1: A 24 LYS NZ :NH3+ 156:sc= 1.21 (180deg=0) USER MOD Set 1.2: A 25 SER OG : rot 180:sc= -0.0154 USER MOD Set 1.3: A 26 HIS : no HE2:sc= 0.805 K(o=2,f=-10!) USER MOD Single : A 1 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 TYR OH : rot 149:sc= 0.0182 USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -3 ALA N :NH3+ -137:sc= 0.137 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -34:sc= 0.384 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= -1.16 K(o=-1.2,f=-1.8!) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 ASN : amide:sc= -0.413 X(o=-0.41,f=-0.26) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 84:sc= 0.143 USER MOD Single : A 51 ASN :FLIP amide:sc= -0.0126 F(o=-0.61,f=-0.013) USER MOD Single : A 53 MET CE :methyl -170:sc= -1.63 (180deg=-1.99) USER MOD Single : A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 THR OG1 : rot -14:sc= 0.4 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 37:sc= -0.342 USER MOD Single : A 68 LYS NZ :NH3+ 162:sc= -0.0466 (180deg=-0.316) USER MOD Single : A 74 MET CE :methyl 167:sc= 0 (180deg=-0.29) USER MOD Single : A 75 SER OG : rot 180:sc= -0.031 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ -116:sc= 1.45 (180deg=-2.37!) USER MOD Single : A 90 HEC O2D : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A -3 4.833 -5.791 -18.924 1.00 10.00 N ATOM 2 CA ALA A -3 3.902 -5.595 -17.792 1.00 10.00 C ATOM 3 C ALA A -3 4.446 -4.478 -16.890 1.00 10.00 C ATOM 4 O ALA A -3 5.125 -3.607 -17.427 1.00 10.00 O ATOM 5 CB ALA A -3 3.660 -6.921 -17.055 1.00 10.00 C ATOM 0 H1 ALA A -3 4.291 -5.903 -19.804 1.00 10.00 H new ATOM 0 H2 ALA A -3 5.459 -4.965 -19.006 1.00 10.00 H new ATOM 0 H3 ALA A -3 5.405 -6.644 -18.759 1.00 10.00 H new ATOM 0 HA ALA A -3 2.923 -5.277 -18.150 1.00 10.00 H new ATOM 0 HB1 ALA A -3 2.972 -6.756 -16.225 1.00 10.00 H new ATOM 0 HB2 ALA A -3 3.229 -7.647 -17.744 1.00 10.00 H new ATOM 0 HB3 ALA A -3 4.606 -7.302 -16.671 1.00 10.00 H new ATOM 13 N ASP A -2 4.237 -4.553 -15.573 1.00 10.00 N ATOM 14 CA ASP A -2 4.705 -3.566 -14.600 1.00 10.00 C ATOM 15 C ASP A -2 4.708 -4.207 -13.196 1.00 10.00 C ATOM 16 O ASP A -2 4.235 -3.661 -12.203 1.00 10.00 O ATOM 17 CB ASP A -2 3.810 -2.321 -14.712 1.00 10.00 C ATOM 18 CG ASP A -2 4.344 -1.130 -13.929 1.00 10.00 C ATOM 19 OD1 ASP A -2 5.585 -0.986 -13.867 1.00 10.00 O ATOM 20 OD2 ASP A -2 3.492 -0.355 -13.448 1.00 10.00 O ATOM 0 H ASP A -2 3.724 -5.323 -15.144 1.00 10.00 H new ATOM 0 HA ASP A -2 5.729 -3.247 -14.795 1.00 10.00 H new ATOM 0 HB2 ASP A -2 3.713 -2.044 -15.762 1.00 10.00 H new ATOM 0 HB3 ASP A -2 2.810 -2.566 -14.353 1.00 10.00 H new ATOM 25 N LEU A -1 5.223 -5.441 -13.163 1.00 10.00 N ATOM 26 CA LEU A -1 5.337 -6.319 -12.006 1.00 10.00 C ATOM 27 C LEU A -1 6.622 -7.138 -12.162 1.00 10.00 C ATOM 28 O LEU A -1 6.598 -8.291 -12.582 1.00 10.00 O ATOM 29 CB LEU A -1 4.079 -7.190 -11.929 1.00 10.00 C ATOM 30 CG LEU A -1 4.184 -8.312 -10.880 1.00 10.00 C ATOM 31 CD1 LEU A -1 3.071 -8.158 -9.851 1.00 10.00 C ATOM 32 CD2 LEU A -1 4.023 -9.691 -11.531 1.00 10.00 C ATOM 0 H LEU A -1 5.596 -5.878 -14.006 1.00 10.00 H new ATOM 0 HA LEU A -1 5.404 -5.765 -11.070 1.00 10.00 H new ATOM 0 HB2 LEU A -1 3.222 -6.559 -11.693 1.00 10.00 H new ATOM 0 HB3 LEU A -1 3.890 -7.632 -12.907 1.00 10.00 H new ATOM 0 HG LEU A -1 5.166 -8.237 -10.412 1.00 10.00 H new ATOM 0 HD11 LEU A -1 3.148 -8.954 -9.110 1.00 10.00 H new ATOM 0 HD12 LEU A -1 3.164 -7.191 -9.356 1.00 10.00 H new ATOM 0 HD13 LEU A -1 2.104 -8.219 -10.350 1.00 10.00 H new ATOM 0 HD21 LEU A -1 4.101 -10.465 -10.768 1.00 10.00 H new ATOM 0 HD22 LEU A -1 3.047 -9.754 -12.013 1.00 10.00 H new ATOM 0 HD23 LEU A -1 4.806 -9.835 -12.276 1.00 10.00 H new ATOM 44 N GLN A 1 7.757 -6.482 -11.943 1.00 10.00 N ATOM 45 CA GLN A 1 9.074 -7.118 -11.869 1.00 10.00 C ATOM 46 C GLN A 1 9.743 -7.016 -10.493 1.00 10.00 C ATOM 47 O GLN A 1 10.682 -7.756 -10.211 1.00 10.00 O ATOM 48 CB GLN A 1 9.959 -6.575 -13.008 1.00 10.00 C ATOM 49 CG GLN A 1 10.585 -7.689 -13.863 1.00 10.00 C ATOM 50 CD GLN A 1 11.704 -8.450 -13.163 1.00 10.00 C ATOM 51 OE1 GLN A 1 11.590 -9.637 -12.888 1.00 10.00 O ATOM 52 NE2 GLN A 1 12.829 -7.794 -12.917 1.00 10.00 N ATOM 0 H GLN A 1 7.791 -5.471 -11.809 1.00 10.00 H new ATOM 0 HA GLN A 1 8.934 -8.190 -12.005 1.00 10.00 H new ATOM 0 HB2 GLN A 1 9.361 -5.926 -13.648 1.00 10.00 H new ATOM 0 HB3 GLN A 1 10.753 -5.961 -12.583 1.00 10.00 H new ATOM 0 HG2 GLN A 1 9.805 -8.394 -14.152 1.00 10.00 H new ATOM 0 HG3 GLN A 1 10.976 -7.252 -14.782 1.00 10.00 H new ATOM 0 HE21 GLN A 1 12.905 -6.805 -13.153 1.00 10.00 H new ATOM 0 HE22 GLN A 1 13.619 -8.278 -12.491 1.00 10.00 H new ATOM 61 N ASP A 2 9.307 -6.048 -9.682 1.00 10.00 N ATOM 62 CA ASP A 2 9.869 -5.716 -8.393 1.00 10.00 C ATOM 63 C ASP A 2 8.772 -5.011 -7.583 1.00 10.00 C ATOM 64 O ASP A 2 7.807 -4.467 -8.125 1.00 10.00 O ATOM 65 CB ASP A 2 11.125 -4.845 -8.598 1.00 10.00 C ATOM 66 CG ASP A 2 11.968 -4.663 -7.338 1.00 10.00 C ATOM 67 OD1 ASP A 2 11.397 -4.215 -6.318 1.00 10.00 O ATOM 68 OD2 ASP A 2 13.174 -4.967 -7.419 1.00 10.00 O ATOM 0 H ASP A 2 8.515 -5.454 -9.928 1.00 10.00 H new ATOM 0 HA ASP A 2 10.190 -6.599 -7.840 1.00 10.00 H new ATOM 0 HB2 ASP A 2 11.744 -5.295 -9.375 1.00 10.00 H new ATOM 0 HB3 ASP A 2 10.819 -3.864 -8.963 1.00 10.00 H new ATOM 73 N ALA A 3 8.962 -5.012 -6.278 1.00 10.00 N ATOM 74 CA ALA A 3 8.130 -4.423 -5.258 1.00 10.00 C ATOM 75 C ALA A 3 8.351 -2.913 -5.136 1.00 10.00 C ATOM 76 O ALA A 3 7.386 -2.149 -5.025 1.00 10.00 O ATOM 77 CB ALA A 3 8.520 -5.138 -3.977 1.00 10.00 C ATOM 0 H ALA A 3 9.779 -5.468 -5.872 1.00 10.00 H new ATOM 0 HA ALA A 3 7.072 -4.539 -5.492 1.00 10.00 H new ATOM 0 HB1 ALA A 3 7.930 -4.747 -3.148 1.00 10.00 H new ATOM 0 HB2 ALA A 3 8.331 -6.206 -4.085 1.00 10.00 H new ATOM 0 HB3 ALA A 3 9.579 -4.975 -3.777 1.00 10.00 H new ATOM 83 N GLU A 4 9.616 -2.471 -5.195 1.00 10.00 N ATOM 84 CA GLU A 4 9.930 -1.047 -5.197 1.00 10.00 C ATOM 85 C GLU A 4 9.220 -0.365 -6.364 1.00 10.00 C ATOM 86 O GLU A 4 8.517 0.629 -6.194 1.00 10.00 O ATOM 87 CB GLU A 4 11.444 -0.808 -5.248 1.00 10.00 C ATOM 88 CG GLU A 4 11.740 0.695 -5.425 1.00 10.00 C ATOM 89 CD GLU A 4 13.188 1.059 -5.126 1.00 10.00 C ATOM 90 OE1 GLU A 4 14.068 0.449 -5.768 1.00 10.00 O ATOM 91 OE2 GLU A 4 13.386 1.953 -4.276 1.00 10.00 O ATOM 0 H GLU A 4 10.431 -3.082 -5.242 1.00 10.00 H new ATOM 0 HA GLU A 4 9.571 -0.609 -4.265 1.00 10.00 H new ATOM 0 HB2 GLU A 4 11.908 -1.172 -4.331 1.00 10.00 H new ATOM 0 HB3 GLU A 4 11.881 -1.372 -6.072 1.00 10.00 H new ATOM 0 HG2 GLU A 4 11.502 0.988 -6.448 1.00 10.00 H new ATOM 0 HG3 GLU A 4 11.085 1.268 -4.769 1.00 10.00 H new ATOM 98 N ALA A 5 9.346 -0.956 -7.554 1.00 10.00 N ATOM 99 CA ALA A 5 8.807 -0.378 -8.773 1.00 10.00 C ATOM 100 C ALA A 5 7.279 -0.370 -8.727 1.00 10.00 C ATOM 101 O ALA A 5 6.658 0.598 -9.156 1.00 10.00 O ATOM 102 CB ALA A 5 9.326 -1.159 -9.978 1.00 10.00 C ATOM 0 H ALA A 5 9.824 -1.846 -7.693 1.00 10.00 H new ATOM 0 HA ALA A 5 9.137 0.657 -8.865 1.00 10.00 H new ATOM 0 HB1 ALA A 5 8.922 -0.726 -10.893 1.00 10.00 H new ATOM 0 HB2 ALA A 5 10.415 -1.109 -10.002 1.00 10.00 H new ATOM 0 HB3 ALA A 5 9.012 -2.200 -9.900 1.00 10.00 H new ATOM 108 N ILE A 6 6.670 -1.378 -8.097 1.00 10.00 N ATOM 109 CA ILE A 6 5.223 -1.399 -7.940 1.00 10.00 C ATOM 110 C ILE A 6 4.786 -0.243 -7.046 1.00 10.00 C ATOM 111 O ILE A 6 3.956 0.555 -7.474 1.00 10.00 O ATOM 112 CB ILE A 6 4.796 -2.751 -7.348 1.00 10.00 C ATOM 113 CG1 ILE A 6 4.678 -3.763 -8.495 1.00 10.00 C ATOM 114 CG2 ILE A 6 3.481 -2.661 -6.555 1.00 10.00 C ATOM 115 CD1 ILE A 6 4.557 -5.185 -7.951 1.00 10.00 C ATOM 0 H ILE A 6 7.155 -2.180 -7.693 1.00 10.00 H new ATOM 0 HA ILE A 6 4.740 -1.278 -8.910 1.00 10.00 H new ATOM 0 HB ILE A 6 5.553 -3.074 -6.633 1.00 10.00 H new ATOM 0 HG12 ILE A 6 3.807 -3.527 -9.106 1.00 10.00 H new ATOM 0 HG13 ILE A 6 5.552 -3.689 -9.143 1.00 10.00 H new ATOM 0 HG21 ILE A 6 3.227 -3.644 -6.159 1.00 10.00 H new ATOM 0 HG22 ILE A 6 3.601 -1.958 -5.731 1.00 10.00 H new ATOM 0 HG23 ILE A 6 2.683 -2.317 -7.212 1.00 10.00 H new ATOM 0 HD11 ILE A 6 4.474 -5.886 -8.781 1.00 10.00 H new ATOM 0 HD12 ILE A 6 5.441 -5.425 -7.360 1.00 10.00 H new ATOM 0 HD13 ILE A 6 3.669 -5.260 -7.323 1.00 10.00 H new ATOM 127 N TYR A 7 5.357 -0.066 -5.848 1.00 10.00 N ATOM 128 CA TYR A 7 4.856 1.036 -5.026 1.00 10.00 C ATOM 129 C TYR A 7 5.217 2.398 -5.638 1.00 10.00 C ATOM 130 O TYR A 7 4.402 3.314 -5.650 1.00 10.00 O ATOM 131 CB TYR A 7 5.219 0.898 -3.540 1.00 10.00 C ATOM 132 CG TYR A 7 6.458 1.651 -3.116 1.00 10.00 C ATOM 133 CD1 TYR A 7 6.398 3.040 -2.888 1.00 10.00 C ATOM 134 CD2 TYR A 7 7.683 0.977 -3.029 1.00 10.00 C ATOM 135 CE1 TYR A 7 7.583 3.767 -2.680 1.00 10.00 C ATOM 136 CE2 TYR A 7 8.864 1.709 -2.838 1.00 10.00 C ATOM 137 CZ TYR A 7 8.815 3.099 -2.667 1.00 10.00 C ATOM 138 OH TYR A 7 9.966 3.795 -2.466 1.00 10.00 O ATOM 0 H TYR A 7 6.111 -0.626 -5.450 1.00 10.00 H new ATOM 0 HA TYR A 7 3.768 0.978 -5.036 1.00 10.00 H new ATOM 0 HB2 TYR A 7 4.377 1.246 -2.941 1.00 10.00 H new ATOM 0 HB3 TYR A 7 5.357 -0.159 -3.311 1.00 10.00 H new ATOM 0 HD1 TYR A 7 5.444 3.545 -2.873 1.00 10.00 H new ATOM 0 HD2 TYR A 7 7.718 -0.100 -3.109 1.00 10.00 H new ATOM 0 HE1 TYR A 7 7.544 4.836 -2.531 1.00 10.00 H new ATOM 0 HE2 TYR A 7 9.816 1.199 -2.823 1.00 10.00 H new ATOM 0 HH TYR A 7 10.617 3.225 -2.007 1.00 10.00 H new ATOM 148 N ASN A 8 6.418 2.502 -6.209 1.00 10.00 N ATOM 149 CA ASN A 8 6.960 3.699 -6.834 1.00 10.00 C ATOM 150 C ASN A 8 6.245 4.074 -8.141 1.00 10.00 C ATOM 151 O ASN A 8 6.311 5.224 -8.564 1.00 10.00 O ATOM 152 CB ASN A 8 8.463 3.476 -7.024 1.00 10.00 C ATOM 153 CG ASN A 8 9.230 4.714 -7.455 1.00 10.00 C ATOM 154 OD1 ASN A 8 8.946 5.830 -7.040 1.00 10.00 O ATOM 155 ND2 ASN A 8 10.254 4.525 -8.275 1.00 10.00 N ATOM 0 H ASN A 8 7.066 1.715 -6.248 1.00 10.00 H new ATOM 0 HA ASN A 8 6.789 4.559 -6.186 1.00 10.00 H new ATOM 0 HB2 ASN A 8 8.885 3.109 -6.088 1.00 10.00 H new ATOM 0 HB3 ASN A 8 8.611 2.694 -7.769 1.00 10.00 H new ATOM 0 HD21 ASN A 8 10.823 5.318 -8.572 1.00 10.00 H new ATOM 0 HD22 ASN A 8 10.473 3.587 -8.609 1.00 10.00 H new ATOM 162 N LYS A 9 5.583 3.122 -8.804 1.00 10.00 N ATOM 163 CA LYS A 9 4.703 3.380 -9.944 1.00 10.00 C ATOM 164 C LYS A 9 3.214 3.493 -9.551 1.00 10.00 C ATOM 165 O LYS A 9 2.465 4.186 -10.236 1.00 10.00 O ATOM 166 CB LYS A 9 4.950 2.323 -11.031 1.00 10.00 C ATOM 167 CG LYS A 9 4.521 2.789 -12.430 1.00 10.00 C ATOM 168 CD LYS A 9 5.690 3.302 -13.285 1.00 10.00 C ATOM 169 CE LYS A 9 6.386 4.526 -12.671 1.00 10.00 C ATOM 170 NZ LYS A 9 7.186 5.255 -13.676 1.00 10.00 N ATOM 0 H LYS A 9 5.645 2.134 -8.558 1.00 10.00 H new ATOM 0 HA LYS A 9 4.953 4.361 -10.348 1.00 10.00 H new ATOM 0 HB2 LYS A 9 6.010 2.068 -11.048 1.00 10.00 H new ATOM 0 HB3 LYS A 9 4.407 1.413 -10.775 1.00 10.00 H new ATOM 0 HG2 LYS A 9 4.037 1.961 -12.948 1.00 10.00 H new ATOM 0 HG3 LYS A 9 3.778 3.581 -12.330 1.00 10.00 H new ATOM 0 HD2 LYS A 9 6.419 2.502 -13.413 1.00 10.00 H new ATOM 0 HD3 LYS A 9 5.322 3.560 -14.278 1.00 10.00 H new ATOM 0 HE2 LYS A 9 5.638 5.195 -12.245 1.00 10.00 H new ATOM 0 HE3 LYS A 9 7.031 4.206 -11.853 1.00 10.00 H new ATOM 0 HZ1 LYS A 9 7.642 6.075 -13.228 1.00 10.00 H new ATOM 0 HZ2 LYS A 9 7.915 4.623 -14.065 1.00 10.00 H new ATOM 0 HZ3 LYS A 9 6.565 5.581 -14.444 1.00 10.00 H new ATOM 184 N ALA A 10 2.778 2.824 -8.474 1.00 10.00 N ATOM 185 CA ALA A 10 1.364 2.691 -8.094 1.00 10.00 C ATOM 186 C ALA A 10 1.020 3.485 -6.827 1.00 10.00 C ATOM 187 O ALA A 10 0.291 4.475 -6.897 1.00 10.00 O ATOM 188 CB ALA A 10 0.984 1.212 -7.945 1.00 10.00 C ATOM 0 H ALA A 10 3.411 2.351 -7.830 1.00 10.00 H new ATOM 0 HA ALA A 10 0.770 3.123 -8.900 1.00 10.00 H new ATOM 0 HB1 ALA A 10 -0.066 1.133 -7.663 1.00 10.00 H new ATOM 0 HB2 ALA A 10 1.146 0.698 -8.892 1.00 10.00 H new ATOM 0 HB3 ALA A 10 1.602 0.753 -7.173 1.00 10.00 H new ATOM 194 N CYS A 11 1.566 3.107 -5.665 1.00 10.00 N ATOM 195 CA CYS A 11 1.362 3.791 -4.382 1.00 10.00 C ATOM 196 C CYS A 11 2.175 5.114 -4.317 1.00 10.00 C ATOM 197 O CYS A 11 2.804 5.452 -3.316 1.00 10.00 O ATOM 198 CB CYS A 11 1.668 2.862 -3.213 1.00 10.00 C ATOM 199 SG CYS A 11 1.667 1.067 -3.528 1.00 10.00 S ATOM 0 H CYS A 11 2.179 2.295 -5.589 1.00 10.00 H new ATOM 0 HA CYS A 11 0.310 4.064 -4.303 1.00 10.00 H new ATOM 0 HB2 CYS A 11 2.648 3.132 -2.819 1.00 10.00 H new ATOM 0 HB3 CYS A 11 0.941 3.064 -2.426 1.00 10.00 H new ATOM 204 N THR A 12 2.159 5.882 -5.410 1.00 10.00 N ATOM 205 CA THR A 12 3.083 6.984 -5.680 1.00 10.00 C ATOM 206 C THR A 12 2.394 8.281 -6.069 1.00 10.00 C ATOM 207 O THR A 12 3.047 9.312 -6.222 1.00 10.00 O ATOM 208 CB THR A 12 4.054 6.559 -6.787 1.00 10.00 C ATOM 209 OG1 THR A 12 5.131 7.456 -6.827 1.00 10.00 O ATOM 210 CG2 THR A 12 3.378 6.546 -8.164 1.00 10.00 C ATOM 0 H THR A 12 1.478 5.748 -6.157 1.00 10.00 H new ATOM 0 HA THR A 12 3.612 7.191 -4.750 1.00 10.00 H new ATOM 0 HB THR A 12 4.394 5.549 -6.560 1.00 10.00 H new ATOM 0 HG1 THR A 12 4.817 8.355 -6.597 1.00 10.00 H new ATOM 0 HG21 THR A 12 4.100 6.240 -8.921 1.00 10.00 H new ATOM 0 HG22 THR A 12 2.544 5.845 -8.153 1.00 10.00 H new ATOM 0 HG23 THR A 12 3.009 7.545 -8.398 1.00 10.00 H new ATOM 218 N VAL A 13 1.079 8.219 -6.247 1.00 10.00 N ATOM 219 CA VAL A 13 0.271 9.326 -6.714 1.00 10.00 C ATOM 220 C VAL A 13 -0.308 10.060 -5.501 1.00 10.00 C ATOM 221 O VAL A 13 -0.312 11.286 -5.422 1.00 10.00 O ATOM 222 CB VAL A 13 -0.824 8.749 -7.624 1.00 10.00 C ATOM 223 CG1 VAL A 13 -1.603 9.908 -8.233 1.00 10.00 C ATOM 224 CG2 VAL A 13 -0.241 7.889 -8.754 1.00 10.00 C ATOM 0 H VAL A 13 0.538 7.374 -6.064 1.00 10.00 H new ATOM 0 HA VAL A 13 0.854 10.049 -7.285 1.00 10.00 H new ATOM 0 HB VAL A 13 -1.469 8.110 -7.021 1.00 10.00 H new ATOM 0 HG11 VAL A 13 -2.386 9.518 -8.883 1.00 10.00 H new ATOM 0 HG12 VAL A 13 -2.054 10.501 -7.437 1.00 10.00 H new ATOM 0 HG13 VAL A 13 -0.927 10.535 -8.815 1.00 10.00 H new ATOM 0 HG21 VAL A 13 -1.051 7.502 -9.372 1.00 10.00 H new ATOM 0 HG22 VAL A 13 0.425 8.496 -9.367 1.00 10.00 H new ATOM 0 HG23 VAL A 13 0.318 7.057 -8.326 1.00 10.00 H new ATOM 234 N CYS A 14 -0.791 9.263 -4.550 1.00 10.00 N ATOM 235 CA CYS A 14 -1.576 9.689 -3.408 1.00 10.00 C ATOM 236 C CYS A 14 -0.694 9.670 -2.152 1.00 10.00 C ATOM 237 O CYS A 14 -0.535 10.692 -1.493 1.00 10.00 O ATOM 238 CB CYS A 14 -2.765 8.761 -3.327 1.00 10.00 C ATOM 239 SG CYS A 14 -3.532 8.624 -4.971 1.00 10.00 S ATOM 0 H CYS A 14 -0.634 8.255 -4.561 1.00 10.00 H new ATOM 0 HA CYS A 14 -1.941 10.712 -3.502 1.00 10.00 H new ATOM 0 HB2 CYS A 14 -2.451 7.778 -2.976 1.00 10.00 H new ATOM 0 HB3 CYS A 14 -3.489 9.140 -2.606 1.00 10.00 H new ATOM 244 N HIS A 15 -0.064 8.527 -1.861 1.00 10.00 N ATOM 245 CA HIS A 15 0.700 8.266 -0.633 1.00 10.00 C ATOM 246 C HIS A 15 2.060 8.984 -0.575 1.00 10.00 C ATOM 247 O HIS A 15 2.716 9.022 0.470 1.00 10.00 O ATOM 248 CB HIS A 15 0.965 6.759 -0.565 1.00 10.00 C ATOM 249 CG HIS A 15 -0.181 5.909 -0.099 1.00 10.00 C ATOM 250 ND1 HIS A 15 -0.118 5.106 1.008 1.00 10.00 N ATOM 251 CD2 HIS A 15 -1.309 5.576 -0.797 1.00 10.00 C ATOM 252 CE1 HIS A 15 -1.180 4.290 0.975 1.00 10.00 C ATOM 253 NE2 HIS A 15 -1.962 4.555 -0.091 1.00 10.00 N ATOM 0 H HIS A 15 -0.071 7.729 -2.496 1.00 10.00 H new ATOM 0 HA HIS A 15 0.106 8.642 0.200 1.00 10.00 H new ATOM 0 HB2 HIS A 15 1.265 6.418 -1.556 1.00 10.00 H new ATOM 0 HB3 HIS A 15 1.812 6.589 0.100 1.00 10.00 H new ATOM 0 HD1 HIS A 15 0.605 5.125 1.727 1.00 10.00 H new ATOM 0 HD2 HIS A 15 -1.638 6.020 -1.725 1.00 10.00 H new ATOM 0 HE1 HIS A 15 -1.383 3.521 1.706 1.00 10.00 H new ATOM 261 N SER A 16 2.516 9.517 -1.711 1.00 10.00 N ATOM 262 CA SER A 16 3.808 10.190 -1.803 1.00 10.00 C ATOM 263 C SER A 16 3.752 11.558 -1.109 1.00 10.00 C ATOM 264 O SER A 16 4.651 11.915 -0.349 1.00 10.00 O ATOM 265 CB SER A 16 4.226 10.282 -3.275 1.00 10.00 C ATOM 266 OG SER A 16 5.612 10.545 -3.360 1.00 10.00 O ATOM 0 H SER A 16 1.999 9.493 -2.590 1.00 10.00 H new ATOM 0 HA SER A 16 4.571 9.614 -1.280 1.00 10.00 H new ATOM 0 HB2 SER A 16 3.990 9.350 -3.789 1.00 10.00 H new ATOM 0 HB3 SER A 16 3.665 11.072 -3.774 1.00 10.00 H new ATOM 0 HG SER A 16 5.877 10.602 -4.302 1.00 10.00 H new ATOM 272 N MET A 17 2.656 12.293 -1.346 1.00 10.00 N ATOM 273 CA MET A 17 2.400 13.620 -0.786 1.00 10.00 C ATOM 274 C MET A 17 1.231 13.634 0.222 1.00 10.00 C ATOM 275 O MET A 17 1.281 14.359 1.211 1.00 10.00 O ATOM 276 CB MET A 17 2.146 14.598 -1.945 1.00 10.00 C ATOM 277 CG MET A 17 2.555 16.026 -1.555 1.00 10.00 C ATOM 278 SD MET A 17 4.327 16.400 -1.665 1.00 10.00 S ATOM 279 CE MET A 17 4.493 16.654 -3.444 1.00 10.00 C ATOM 0 H MET A 17 1.903 11.967 -1.952 1.00 10.00 H new ATOM 0 HA MET A 17 3.278 13.928 -0.218 1.00 10.00 H new ATOM 0 HB2 MET A 17 2.708 14.281 -2.824 1.00 10.00 H new ATOM 0 HB3 MET A 17 1.091 14.579 -2.218 1.00 10.00 H new ATOM 0 HG2 MET A 17 2.015 16.725 -2.194 1.00 10.00 H new ATOM 0 HG3 MET A 17 2.227 16.211 -0.532 1.00 10.00 H new ATOM 0 HE1 MET A 17 5.529 16.894 -3.682 1.00 10.00 H new ATOM 0 HE2 MET A 17 4.201 15.745 -3.970 1.00 10.00 H new ATOM 0 HE3 MET A 17 3.849 17.476 -3.756 1.00 10.00 H new ATOM 289 N GLY A 18 0.174 12.854 -0.039 1.00 10.00 N ATOM 290 CA GLY A 18 -1.034 12.762 0.787 1.00 10.00 C ATOM 291 C GLY A 18 -2.151 13.716 0.344 1.00 10.00 C ATOM 292 O GLY A 18 -2.615 14.541 1.126 1.00 10.00 O ATOM 0 H GLY A 18 0.136 12.249 -0.860 1.00 10.00 H new ATOM 0 HA2 GLY A 18 -1.408 11.739 0.758 1.00 10.00 H new ATOM 0 HA3 GLY A 18 -0.773 12.976 1.823 1.00 10.00 H new ATOM 296 N VAL A 19 -2.618 13.593 -0.907 1.00 10.00 N ATOM 297 CA VAL A 19 -3.617 14.507 -1.486 1.00 10.00 C ATOM 298 C VAL A 19 -5.039 14.181 -1.044 1.00 10.00 C ATOM 299 O VAL A 19 -5.701 14.972 -0.381 1.00 10.00 O ATOM 300 CB VAL A 19 -3.491 14.564 -3.020 1.00 10.00 C ATOM 301 CG1 VAL A 19 -4.564 15.475 -3.639 1.00 10.00 C ATOM 302 CG2 VAL A 19 -2.111 15.095 -3.425 1.00 10.00 C ATOM 0 H VAL A 19 -2.315 12.858 -1.546 1.00 10.00 H new ATOM 0 HA VAL A 19 -3.402 15.502 -1.096 1.00 10.00 H new ATOM 0 HB VAL A 19 -3.627 13.548 -3.391 1.00 10.00 H new ATOM 0 HG11 VAL A 19 -4.446 15.492 -4.722 1.00 10.00 H new ATOM 0 HG12 VAL A 19 -5.554 15.094 -3.388 1.00 10.00 H new ATOM 0 HG13 VAL A 19 -4.454 16.486 -3.246 1.00 10.00 H new ATOM 0 HG21 VAL A 19 -2.039 15.129 -4.512 1.00 10.00 H new ATOM 0 HG22 VAL A 19 -1.974 16.098 -3.021 1.00 10.00 H new ATOM 0 HG23 VAL A 19 -1.337 14.436 -3.030 1.00 10.00 H new ATOM 312 N ALA A 20 -5.502 12.975 -1.357 1.00 10.00 N ATOM 313 CA ALA A 20 -6.830 12.497 -0.989 1.00 10.00 C ATOM 314 C ALA A 20 -6.848 11.963 0.451 1.00 10.00 C ATOM 315 O ALA A 20 -7.564 11.018 0.766 1.00 10.00 O ATOM 316 CB ALA A 20 -7.213 11.429 -2.008 1.00 10.00 C ATOM 0 H ALA A 20 -4.956 12.292 -1.882 1.00 10.00 H new ATOM 0 HA ALA A 20 -7.559 13.307 -1.008 1.00 10.00 H new ATOM 0 HB1 ALA A 20 -8.204 11.040 -1.773 1.00 10.00 H new ATOM 0 HB2 ALA A 20 -7.223 11.866 -3.007 1.00 10.00 H new ATOM 0 HB3 ALA A 20 -6.487 10.617 -1.974 1.00 10.00 H new ATOM 322 N GLY A 21 -5.999 12.539 1.305 1.00 10.00 N ATOM 323 CA GLY A 21 -5.770 12.082 2.676 1.00 10.00 C ATOM 324 C GLY A 21 -4.909 10.813 2.765 1.00 10.00 C ATOM 325 O GLY A 21 -4.740 10.255 3.845 1.00 10.00 O ATOM 0 H GLY A 21 -5.439 13.355 1.056 1.00 10.00 H new ATOM 0 HA2 GLY A 21 -5.286 12.880 3.240 1.00 10.00 H new ATOM 0 HA3 GLY A 21 -6.732 11.893 3.153 1.00 10.00 H new ATOM 329 N ALA A 22 -4.356 10.347 1.639 1.00 10.00 N ATOM 330 CA ALA A 22 -3.586 9.110 1.585 1.00 10.00 C ATOM 331 C ALA A 22 -2.413 9.099 2.589 1.00 10.00 C ATOM 332 O ALA A 22 -1.701 10.097 2.714 1.00 10.00 O ATOM 333 CB ALA A 22 -3.109 8.874 0.152 1.00 10.00 C ATOM 0 H ALA A 22 -4.433 10.822 0.740 1.00 10.00 H new ATOM 0 HA ALA A 22 -4.236 8.288 1.884 1.00 10.00 H new ATOM 0 HB1 ALA A 22 -2.533 7.950 0.108 1.00 10.00 H new ATOM 0 HB2 ALA A 22 -3.971 8.796 -0.510 1.00 10.00 H new ATOM 0 HB3 ALA A 22 -2.482 9.708 -0.165 1.00 10.00 H new ATOM 339 N PRO A 23 -2.210 7.984 3.308 1.00 10.00 N ATOM 340 CA PRO A 23 -1.206 7.865 4.359 1.00 10.00 C ATOM 341 C PRO A 23 0.209 7.878 3.774 1.00 10.00 C ATOM 342 O PRO A 23 0.443 7.457 2.642 1.00 10.00 O ATOM 343 CB PRO A 23 -1.541 6.551 5.042 1.00 10.00 C ATOM 344 CG PRO A 23 -2.141 5.693 3.940 1.00 10.00 C ATOM 345 CD PRO A 23 -2.909 6.722 3.118 1.00 10.00 C ATOM 0 HA PRO A 23 -1.222 8.699 5.061 1.00 10.00 H new ATOM 0 HB2 PRO A 23 -0.651 6.086 5.467 1.00 10.00 H new ATOM 0 HB3 PRO A 23 -2.246 6.697 5.860 1.00 10.00 H new ATOM 0 HG2 PRO A 23 -1.374 5.191 3.351 1.00 10.00 H new ATOM 0 HG3 PRO A 23 -2.796 4.918 4.338 1.00 10.00 H new ATOM 0 HD2 PRO A 23 -2.932 6.443 2.065 1.00 10.00 H new ATOM 0 HD3 PRO A 23 -3.944 6.795 3.451 1.00 10.00 H new ATOM 353 N LYS A 24 1.161 8.387 4.552 1.00 10.00 N ATOM 354 CA LYS A 24 2.474 8.789 4.050 1.00 10.00 C ATOM 355 C LYS A 24 3.363 7.563 3.801 1.00 10.00 C ATOM 356 O LYS A 24 3.447 6.667 4.646 1.00 10.00 O ATOM 357 CB LYS A 24 3.096 9.771 5.054 1.00 10.00 C ATOM 358 CG LYS A 24 3.817 11.011 4.506 1.00 10.00 C ATOM 359 CD LYS A 24 5.306 10.822 4.170 1.00 10.00 C ATOM 360 CE LYS A 24 6.059 12.119 4.525 1.00 10.00 C ATOM 361 NZ LYS A 24 7.271 12.322 3.707 1.00 10.00 N ATOM 0 H LYS A 24 1.043 8.533 5.555 1.00 10.00 H new ATOM 0 HA LYS A 24 2.375 9.290 3.087 1.00 10.00 H new ATOM 0 HB2 LYS A 24 2.303 10.114 5.719 1.00 10.00 H new ATOM 0 HB3 LYS A 24 3.807 9.216 5.666 1.00 10.00 H new ATOM 0 HG2 LYS A 24 3.299 11.341 3.606 1.00 10.00 H new ATOM 0 HG3 LYS A 24 3.728 11.814 5.238 1.00 10.00 H new ATOM 0 HD2 LYS A 24 5.716 9.981 4.729 1.00 10.00 H new ATOM 0 HD3 LYS A 24 5.429 10.591 3.112 1.00 10.00 H new ATOM 0 HE2 LYS A 24 5.390 12.969 4.392 1.00 10.00 H new ATOM 0 HE3 LYS A 24 6.338 12.095 5.578 1.00 10.00 H new ATOM 0 HZ1 LYS A 24 7.505 13.335 3.678 1.00 10.00 H new ATOM 0 HZ2 LYS A 24 8.064 11.795 4.125 1.00 10.00 H new ATOM 0 HZ3 LYS A 24 7.099 11.979 2.740 1.00 10.00 H new ATOM 375 N SER A 25 4.040 7.538 2.645 1.00 10.00 N ATOM 376 CA SER A 25 4.971 6.477 2.236 1.00 10.00 C ATOM 377 C SER A 25 5.859 5.946 3.376 1.00 10.00 C ATOM 378 O SER A 25 6.068 4.742 3.493 1.00 10.00 O ATOM 379 CB SER A 25 5.826 6.965 1.058 1.00 10.00 C ATOM 380 OG SER A 25 6.697 8.016 1.451 1.00 10.00 O ATOM 0 H SER A 25 3.952 8.277 1.948 1.00 10.00 H new ATOM 0 HA SER A 25 4.360 5.628 1.929 1.00 10.00 H new ATOM 0 HB2 SER A 25 6.411 6.135 0.662 1.00 10.00 H new ATOM 0 HB3 SER A 25 5.177 7.310 0.253 1.00 10.00 H new ATOM 0 HG SER A 25 7.230 8.305 0.681 1.00 10.00 H new ATOM 386 N HIS A 26 6.361 6.851 4.222 1.00 10.00 N ATOM 387 CA HIS A 26 7.103 6.564 5.444 1.00 10.00 C ATOM 388 C HIS A 26 6.537 7.400 6.602 1.00 10.00 C ATOM 389 O HIS A 26 6.628 8.625 6.603 1.00 10.00 O ATOM 390 CB HIS A 26 8.597 6.833 5.216 1.00 10.00 C ATOM 391 CG HIS A 26 8.886 8.176 4.588 1.00 10.00 C ATOM 392 ND1 HIS A 26 8.757 8.462 3.250 1.00 10.00 N ATOM 393 CD2 HIS A 26 9.188 9.350 5.231 1.00 10.00 C ATOM 394 CE1 HIS A 26 9.015 9.765 3.084 1.00 10.00 C ATOM 395 NE2 HIS A 26 9.222 10.371 4.267 1.00 10.00 N ATOM 0 H HIS A 26 6.253 7.852 4.061 1.00 10.00 H new ATOM 0 HA HIS A 26 6.993 5.513 5.711 1.00 10.00 H new ATOM 0 HB2 HIS A 26 9.118 6.770 6.171 1.00 10.00 H new ATOM 0 HB3 HIS A 26 9.005 6.049 4.578 1.00 10.00 H new ATOM 0 HD1 HIS A 26 8.509 7.800 2.515 1.00 10.00 H new ATOM 0 HD2 HIS A 26 9.368 9.468 6.289 1.00 10.00 H new ATOM 0 HE1 HIS A 26 9.052 10.264 2.127 1.00 10.00 H new ATOM 403 N ASN A 27 5.938 6.732 7.585 1.00 10.00 N ATOM 404 CA ASN A 27 5.439 7.306 8.830 1.00 10.00 C ATOM 405 C ASN A 27 5.550 6.226 9.920 1.00 10.00 C ATOM 406 O ASN A 27 5.620 5.044 9.585 1.00 10.00 O ATOM 407 CB ASN A 27 3.962 7.691 8.632 1.00 10.00 C ATOM 408 CG ASN A 27 3.656 9.177 8.516 1.00 10.00 C ATOM 409 OD1 ASN A 27 4.446 10.031 8.894 1.00 10.00 O ATOM 410 ND2 ASN A 27 2.470 9.513 8.023 1.00 10.00 N ATOM 0 H ASN A 27 5.780 5.726 7.531 1.00 10.00 H new ATOM 0 HA ASN A 27 6.009 8.190 9.116 1.00 10.00 H new ATOM 0 HB2 ASN A 27 3.599 7.197 7.731 1.00 10.00 H new ATOM 0 HB3 ASN A 27 3.390 7.289 9.468 1.00 10.00 H new ATOM 0 HD21 ASN A 27 2.206 10.496 7.955 1.00 10.00 H new ATOM 0 HD22 ASN A 27 1.823 8.788 7.712 1.00 10.00 H new ATOM 417 N THR A 28 5.500 6.603 11.202 1.00 10.00 N ATOM 418 CA THR A 28 5.384 5.611 12.285 1.00 10.00 C ATOM 419 C THR A 28 3.987 5.622 12.916 1.00 10.00 C ATOM 420 O THR A 28 3.394 4.567 13.104 1.00 10.00 O ATOM 421 CB THR A 28 6.448 5.921 13.351 1.00 10.00 C ATOM 422 OG1 THR A 28 7.731 5.813 12.773 1.00 10.00 O ATOM 423 CG2 THR A 28 6.381 4.977 14.555 1.00 10.00 C ATOM 0 H THR A 28 5.537 7.573 11.516 1.00 10.00 H new ATOM 0 HA THR A 28 5.543 4.616 11.868 1.00 10.00 H new ATOM 0 HB THR A 28 6.252 6.932 13.709 1.00 10.00 H new ATOM 0 HG1 THR A 28 8.412 6.012 13.449 1.00 10.00 H new ATOM 0 HG21 THR A 28 7.156 5.246 15.272 1.00 10.00 H new ATOM 0 HG22 THR A 28 5.403 5.061 15.029 1.00 10.00 H new ATOM 0 HG23 THR A 28 6.536 3.951 14.222 1.00 10.00 H new ATOM 431 N ALA A 29 3.368 6.798 13.055 1.00 10.00 N ATOM 432 CA ALA A 29 2.062 6.926 13.708 1.00 10.00 C ATOM 433 C ALA A 29 0.900 6.556 12.780 1.00 10.00 C ATOM 434 O ALA A 29 -0.174 6.167 13.226 1.00 10.00 O ATOM 435 CB ALA A 29 1.907 8.354 14.217 1.00 10.00 C ATOM 0 H ALA A 29 3.754 7.681 12.721 1.00 10.00 H new ATOM 0 HA ALA A 29 2.026 6.221 14.539 1.00 10.00 H new ATOM 0 HB1 ALA A 29 0.939 8.463 14.705 1.00 10.00 H new ATOM 0 HB2 ALA A 29 2.701 8.574 14.931 1.00 10.00 H new ATOM 0 HB3 ALA A 29 1.971 9.048 13.379 1.00 10.00 H new ATOM 441 N ASP A 30 1.132 6.683 11.474 1.00 10.00 N ATOM 442 CA ASP A 30 0.199 6.351 10.411 1.00 10.00 C ATOM 443 C ASP A 30 0.176 4.821 10.225 1.00 10.00 C ATOM 444 O ASP A 30 -0.871 4.215 9.992 1.00 10.00 O ATOM 445 CB ASP A 30 0.726 7.123 9.190 1.00 10.00 C ATOM 446 CG ASP A 30 -0.218 7.413 8.060 1.00 10.00 C ATOM 447 OD1 ASP A 30 -1.353 6.898 8.110 1.00 10.00 O ATOM 448 OD2 ASP A 30 0.290 8.074 7.126 1.00 10.00 O ATOM 0 H ASP A 30 2.019 7.037 11.117 1.00 10.00 H new ATOM 0 HA ASP A 30 -0.836 6.631 10.606 1.00 10.00 H new ATOM 0 HB2 ASP A 30 1.119 8.076 9.545 1.00 10.00 H new ATOM 0 HB3 ASP A 30 1.568 6.563 8.783 1.00 10.00 H new ATOM 453 N TRP A 31 1.356 4.198 10.331 1.00 10.00 N ATOM 454 CA TRP A 31 1.588 2.760 10.204 1.00 10.00 C ATOM 455 C TRP A 31 1.253 1.991 11.504 1.00 10.00 C ATOM 456 O TRP A 31 0.696 0.896 11.419 1.00 10.00 O ATOM 457 CB TRP A 31 3.006 2.532 9.637 1.00 10.00 C ATOM 458 CG TRP A 31 3.231 2.982 8.204 1.00 10.00 C ATOM 459 CD1 TRP A 31 3.353 4.267 7.805 1.00 10.00 C ATOM 460 CD2 TRP A 31 3.342 2.206 6.964 1.00 10.00 C ATOM 461 NE1 TRP A 31 3.445 4.367 6.437 1.00 10.00 N ATOM 462 CE2 TRP A 31 3.428 3.121 5.865 1.00 10.00 C ATOM 463 CE3 TRP A 31 3.343 0.830 6.638 1.00 10.00 C ATOM 464 CZ2 TRP A 31 3.447 2.708 4.531 1.00 10.00 C ATOM 465 CZ3 TRP A 31 3.360 0.404 5.293 1.00 10.00 C ATOM 466 CH2 TRP A 31 3.350 1.341 4.252 1.00 10.00 C ATOM 0 H TRP A 31 2.217 4.713 10.517 1.00 10.00 H new ATOM 0 HA TRP A 31 0.892 2.326 9.486 1.00 10.00 H new ATOM 0 HB2 TRP A 31 3.719 3.052 10.276 1.00 10.00 H new ATOM 0 HB3 TRP A 31 3.235 1.468 9.703 1.00 10.00 H new ATOM 0 HD1 TRP A 31 3.375 5.112 8.478 1.00 10.00 H new ATOM 0 HE1 TRP A 31 3.516 5.244 5.921 1.00 10.00 H new ATOM 0 HE3 TRP A 31 3.331 0.095 7.429 1.00 10.00 H new ATOM 0 HZ2 TRP A 31 3.535 3.429 3.732 1.00 10.00 H new ATOM 0 HZ3 TRP A 31 3.381 -0.651 5.065 1.00 10.00 H new ATOM 0 HH2 TRP A 31 3.267 1.006 3.229 1.00 10.00 H new ATOM 477 N GLU A 32 1.483 2.559 12.700 1.00 10.00 N ATOM 478 CA GLU A 32 1.060 1.975 13.985 1.00 10.00 C ATOM 479 C GLU A 32 -0.345 1.324 13.978 1.00 10.00 C ATOM 480 O GLU A 32 -0.452 0.116 14.197 1.00 10.00 O ATOM 481 CB GLU A 32 1.197 3.015 15.113 1.00 10.00 C ATOM 482 CG GLU A 32 2.547 2.893 15.836 1.00 10.00 C ATOM 483 CD GLU A 32 2.724 3.962 16.908 1.00 10.00 C ATOM 484 OE1 GLU A 32 3.164 5.069 16.534 1.00 10.00 O ATOM 485 OE2 GLU A 32 2.410 3.647 18.075 1.00 10.00 O ATOM 0 H GLU A 32 1.974 3.447 12.803 1.00 10.00 H new ATOM 0 HA GLU A 32 1.739 1.143 14.169 1.00 10.00 H new ATOM 0 HB2 GLU A 32 1.096 4.018 14.698 1.00 10.00 H new ATOM 0 HB3 GLU A 32 0.387 2.883 15.830 1.00 10.00 H new ATOM 0 HG2 GLU A 32 2.625 1.906 16.293 1.00 10.00 H new ATOM 0 HG3 GLU A 32 3.355 2.972 15.109 1.00 10.00 H new ATOM 492 N PRO A 33 -1.434 2.066 13.701 1.00 10.00 N ATOM 493 CA PRO A 33 -2.794 1.527 13.696 1.00 10.00 C ATOM 494 C PRO A 33 -3.067 0.537 12.553 1.00 10.00 C ATOM 495 O PRO A 33 -4.142 -0.061 12.503 1.00 10.00 O ATOM 496 CB PRO A 33 -3.710 2.755 13.606 1.00 10.00 C ATOM 497 CG PRO A 33 -2.852 3.768 12.851 1.00 10.00 C ATOM 498 CD PRO A 33 -1.460 3.488 13.409 1.00 10.00 C ATOM 0 HA PRO A 33 -2.969 0.937 14.596 1.00 10.00 H new ATOM 0 HB2 PRO A 33 -4.634 2.531 13.073 1.00 10.00 H new ATOM 0 HB3 PRO A 33 -3.992 3.121 14.593 1.00 10.00 H new ATOM 0 HG2 PRO A 33 -2.897 3.616 11.773 1.00 10.00 H new ATOM 0 HG3 PRO A 33 -3.169 4.793 13.042 1.00 10.00 H new ATOM 0 HD2 PRO A 33 -0.688 3.754 12.687 1.00 10.00 H new ATOM 0 HD3 PRO A 33 -1.273 4.076 14.307 1.00 10.00 H new ATOM 506 N ARG A 34 -2.111 0.337 11.643 1.00 10.00 N ATOM 507 CA ARG A 34 -2.170 -0.684 10.608 1.00 10.00 C ATOM 508 C ARG A 34 -1.467 -1.953 11.127 1.00 10.00 C ATOM 509 O ARG A 34 -2.058 -3.034 11.148 1.00 10.00 O ATOM 510 CB ARG A 34 -1.582 -0.109 9.309 1.00 10.00 C ATOM 511 CG ARG A 34 -2.144 1.273 8.905 1.00 10.00 C ATOM 512 CD ARG A 34 -3.319 1.229 7.909 1.00 10.00 C ATOM 513 NE ARG A 34 -4.553 1.870 8.406 1.00 10.00 N ATOM 514 CZ ARG A 34 -5.534 1.308 9.119 1.00 10.00 C ATOM 515 NH1 ARG A 34 -5.444 0.068 9.569 1.00 10.00 N ATOM 516 NH2 ARG A 34 -6.645 1.994 9.326 1.00 10.00 N ATOM 0 H ARG A 34 -1.258 0.895 11.609 1.00 10.00 H new ATOM 0 HA ARG A 34 -3.193 -0.977 10.372 1.00 10.00 H new ATOM 0 HB2 ARG A 34 -0.501 -0.029 9.419 1.00 10.00 H new ATOM 0 HB3 ARG A 34 -1.768 -0.813 8.498 1.00 10.00 H new ATOM 0 HG2 ARG A 34 -2.469 1.794 9.805 1.00 10.00 H new ATOM 0 HG3 ARG A 34 -1.338 1.863 8.468 1.00 10.00 H new ATOM 0 HD2 ARG A 34 -3.015 1.718 6.983 1.00 10.00 H new ATOM 0 HD3 ARG A 34 -3.535 0.189 7.664 1.00 10.00 H new ATOM 0 HE ARG A 34 -4.671 2.857 8.179 1.00 10.00 H new ATOM 0 HH11 ARG A 34 -4.610 -0.486 9.374 1.00 10.00 H new ATOM 0 HH12 ARG A 34 -6.209 -0.335 10.111 1.00 10.00 H new ATOM 0 HH21 ARG A 34 -6.742 2.935 8.944 1.00 10.00 H new ATOM 0 HH22 ARG A 34 -7.405 1.582 9.868 1.00 10.00 H new ATOM 530 N LEU A 35 -0.264 -1.799 11.692 1.00 10.00 N ATOM 531 CA LEU A 35 0.495 -2.842 12.400 1.00 10.00 C ATOM 532 C LEU A 35 -0.144 -3.347 13.710 1.00 10.00 C ATOM 533 O LEU A 35 0.514 -4.010 14.507 1.00 10.00 O ATOM 534 CB LEU A 35 1.915 -2.302 12.679 1.00 10.00 C ATOM 535 CG LEU A 35 2.990 -2.995 11.830 1.00 10.00 C ATOM 536 CD1 LEU A 35 3.850 -1.924 11.155 1.00 10.00 C ATOM 537 CD2 LEU A 35 3.830 -3.937 12.700 1.00 10.00 C ATOM 0 H LEU A 35 0.230 -0.907 11.669 1.00 10.00 H new ATOM 0 HA LEU A 35 0.508 -3.714 11.746 1.00 10.00 H new ATOM 0 HB2 LEU A 35 1.937 -1.230 12.481 1.00 10.00 H new ATOM 0 HB3 LEU A 35 2.149 -2.436 13.735 1.00 10.00 H new ATOM 0 HG LEU A 35 2.524 -3.606 11.057 1.00 10.00 H new ATOM 0 HD11 LEU A 35 4.618 -2.403 10.548 1.00 10.00 H new ATOM 0 HD12 LEU A 35 3.222 -1.301 10.519 1.00 10.00 H new ATOM 0 HD13 LEU A 35 4.323 -1.304 11.917 1.00 10.00 H new ATOM 0 HD21 LEU A 35 4.588 -4.421 12.085 1.00 10.00 H new ATOM 0 HD22 LEU A 35 4.316 -3.366 13.491 1.00 10.00 H new ATOM 0 HD23 LEU A 35 3.184 -4.695 13.144 1.00 10.00 H new ATOM 549 N ALA A 36 -1.434 -3.088 13.932 1.00 10.00 N ATOM 550 CA ALA A 36 -2.146 -3.473 15.145 1.00 10.00 C ATOM 551 C ALA A 36 -2.745 -4.873 15.003 1.00 10.00 C ATOM 552 O ALA A 36 -3.021 -5.535 15.999 1.00 10.00 O ATOM 553 CB ALA A 36 -3.230 -2.432 15.429 1.00 10.00 C ATOM 0 H ALA A 36 -2.021 -2.595 13.259 1.00 10.00 H new ATOM 0 HA ALA A 36 -1.451 -3.506 15.984 1.00 10.00 H new ATOM 0 HB1 ALA A 36 -3.771 -2.708 16.334 1.00 10.00 H new ATOM 0 HB2 ALA A 36 -2.768 -1.454 15.566 1.00 10.00 H new ATOM 0 HB3 ALA A 36 -3.924 -2.391 14.590 1.00 10.00 H new ATOM 559 N LYS A 37 -2.982 -5.300 13.755 1.00 10.00 N ATOM 560 CA LYS A 37 -3.422 -6.648 13.425 1.00 10.00 C ATOM 561 C LYS A 37 -2.234 -7.475 12.921 1.00 10.00 C ATOM 562 O LYS A 37 -2.004 -8.587 13.389 1.00 10.00 O ATOM 563 CB LYS A 37 -4.586 -6.616 12.416 1.00 10.00 C ATOM 564 CG LYS A 37 -5.953 -6.405 13.089 1.00 10.00 C ATOM 565 CD LYS A 37 -6.198 -4.957 13.551 1.00 10.00 C ATOM 566 CE LYS A 37 -7.045 -4.930 14.830 1.00 10.00 C ATOM 567 NZ LYS A 37 -7.082 -3.577 15.426 1.00 10.00 N ATOM 0 H LYS A 37 -2.869 -4.701 12.937 1.00 10.00 H new ATOM 0 HA LYS A 37 -3.804 -7.131 14.324 1.00 10.00 H new ATOM 0 HB2 LYS A 37 -4.414 -5.817 11.695 1.00 10.00 H new ATOM 0 HB3 LYS A 37 -4.602 -7.552 11.857 1.00 10.00 H new ATOM 0 HG2 LYS A 37 -6.740 -6.693 12.392 1.00 10.00 H new ATOM 0 HG3 LYS A 37 -6.031 -7.070 13.949 1.00 10.00 H new ATOM 0 HD2 LYS A 37 -5.244 -4.461 13.731 1.00 10.00 H new ATOM 0 HD3 LYS A 37 -6.704 -4.399 12.763 1.00 10.00 H new ATOM 0 HE2 LYS A 37 -8.060 -5.257 14.603 1.00 10.00 H new ATOM 0 HE3 LYS A 37 -6.637 -5.636 15.553 1.00 10.00 H new ATOM 0 HZ1 LYS A 37 -7.663 -3.593 16.289 1.00 10.00 H new ATOM 0 HZ2 LYS A 37 -6.115 -3.276 15.665 1.00 10.00 H new ATOM 0 HZ3 LYS A 37 -7.494 -2.908 14.744 1.00 10.00 H new ATOM 581 N GLY A 38 -1.469 -6.916 11.979 1.00 10.00 N ATOM 582 CA GLY A 38 -0.221 -7.491 11.493 1.00 10.00 C ATOM 583 C GLY A 38 0.007 -7.111 10.031 1.00 10.00 C ATOM 584 O GLY A 38 -0.051 -5.935 9.681 1.00 10.00 O ATOM 0 H GLY A 38 -1.709 -6.034 11.527 1.00 10.00 H new ATOM 0 HA2 GLY A 38 0.611 -7.137 12.101 1.00 10.00 H new ATOM 0 HA3 GLY A 38 -0.250 -8.576 11.593 1.00 10.00 H new ATOM 588 N VAL A 39 0.197 -8.121 9.180 1.00 10.00 N ATOM 589 CA VAL A 39 0.341 -7.990 7.736 1.00 10.00 C ATOM 590 C VAL A 39 -0.789 -8.713 7.018 1.00 10.00 C ATOM 591 O VAL A 39 -1.673 -9.285 7.654 1.00 10.00 O ATOM 592 CB VAL A 39 1.724 -8.480 7.260 1.00 10.00 C ATOM 593 CG1 VAL A 39 2.579 -7.239 7.032 1.00 10.00 C ATOM 594 CG2 VAL A 39 2.416 -9.456 8.220 1.00 10.00 C ATOM 0 H VAL A 39 0.257 -9.090 9.494 1.00 10.00 H new ATOM 0 HA VAL A 39 0.275 -6.932 7.484 1.00 10.00 H new ATOM 0 HB VAL A 39 1.589 -9.058 6.345 1.00 10.00 H new ATOM 0 HG11 VAL A 39 3.571 -7.538 6.693 1.00 10.00 H new ATOM 0 HG12 VAL A 39 2.111 -6.609 6.275 1.00 10.00 H new ATOM 0 HG13 VAL A 39 2.667 -6.681 7.964 1.00 10.00 H new ATOM 0 HG21 VAL A 39 3.381 -9.749 7.807 1.00 10.00 H new ATOM 0 HG22 VAL A 39 2.566 -8.972 9.185 1.00 10.00 H new ATOM 0 HG23 VAL A 39 1.793 -10.341 8.350 1.00 10.00 H new ATOM 604 N ASP A 40 -0.807 -8.578 5.693 1.00 10.00 N ATOM 605 CA ASP A 40 -1.833 -9.078 4.797 1.00 10.00 C ATOM 606 C ASP A 40 -3.148 -8.297 4.934 1.00 10.00 C ATOM 607 O ASP A 40 -3.702 -7.884 3.921 1.00 10.00 O ATOM 608 CB ASP A 40 -1.993 -10.601 4.911 1.00 10.00 C ATOM 609 CG ASP A 40 -0.675 -11.352 4.769 1.00 10.00 C ATOM 610 OD1 ASP A 40 0.240 -10.802 4.117 1.00 10.00 O ATOM 611 OD2 ASP A 40 -0.622 -12.478 5.303 1.00 10.00 O ATOM 0 H ASP A 40 -0.063 -8.089 5.195 1.00 10.00 H new ATOM 0 HA ASP A 40 -1.501 -8.897 3.775 1.00 10.00 H new ATOM 0 HB2 ASP A 40 -2.440 -10.842 5.875 1.00 10.00 H new ATOM 0 HB3 ASP A 40 -2.686 -10.946 4.143 1.00 10.00 H new ATOM 616 N ASN A 41 -3.623 -8.012 6.156 1.00 10.00 N ATOM 617 CA ASN A 41 -4.902 -7.316 6.407 1.00 10.00 C ATOM 618 C ASN A 41 -5.092 -6.109 5.473 1.00 10.00 C ATOM 619 O ASN A 41 -6.181 -5.823 4.985 1.00 10.00 O ATOM 620 CB ASN A 41 -5.032 -6.836 7.867 1.00 10.00 C ATOM 621 CG ASN A 41 -4.350 -7.718 8.901 1.00 10.00 C ATOM 622 OD1 ASN A 41 -4.861 -8.763 9.277 1.00 10.00 O ATOM 623 ND2 ASN A 41 -3.200 -7.287 9.404 1.00 10.00 N ATOM 0 H ASN A 41 -3.126 -8.260 7.011 1.00 10.00 H new ATOM 0 HA ASN A 41 -5.679 -8.054 6.207 1.00 10.00 H new ATOM 0 HB2 ASN A 41 -4.618 -5.830 7.940 1.00 10.00 H new ATOM 0 HB3 ASN A 41 -6.091 -6.764 8.116 1.00 10.00 H new ATOM 0 HD21 ASN A 41 -2.721 -7.831 10.122 1.00 10.00 H new ATOM 0 HD22 ASN A 41 -2.795 -6.411 9.073 1.00 10.00 H new ATOM 630 N LEU A 42 -3.984 -5.418 5.216 1.00 10.00 N ATOM 631 CA LEU A 42 -3.898 -4.243 4.376 1.00 10.00 C ATOM 632 C LEU A 42 -3.831 -4.600 2.881 1.00 10.00 C ATOM 633 O LEU A 42 -4.537 -3.995 2.075 1.00 10.00 O ATOM 634 CB LEU A 42 -2.656 -3.485 4.828 1.00 10.00 C ATOM 635 CG LEU A 42 -2.676 -2.969 6.287 1.00 10.00 C ATOM 636 CD1 LEU A 42 -4.052 -2.470 6.744 1.00 10.00 C ATOM 637 CD2 LEU A 42 -2.130 -3.984 7.302 1.00 10.00 C ATOM 0 H LEU A 42 -3.081 -5.682 5.611 1.00 10.00 H new ATOM 0 HA LEU A 42 -4.793 -3.631 4.482 1.00 10.00 H new ATOM 0 HB2 LEU A 42 -1.791 -4.136 4.705 1.00 10.00 H new ATOM 0 HB3 LEU A 42 -2.511 -2.633 4.163 1.00 10.00 H new ATOM 0 HG LEU A 42 -2.000 -2.114 6.266 1.00 10.00 H new ATOM 0 HD11 LEU A 42 -3.989 -2.124 7.776 1.00 10.00 H new ATOM 0 HD12 LEU A 42 -4.372 -1.647 6.104 1.00 10.00 H new ATOM 0 HD13 LEU A 42 -4.775 -3.283 6.677 1.00 10.00 H new ATOM 0 HD21 LEU A 42 -2.174 -3.556 8.304 1.00 10.00 H new ATOM 0 HD22 LEU A 42 -2.732 -4.892 7.269 1.00 10.00 H new ATOM 0 HD23 LEU A 42 -1.096 -4.225 7.055 1.00 10.00 H new ATOM 649 N VAL A 43 -3.032 -5.606 2.499 1.00 10.00 N ATOM 650 CA VAL A 43 -2.966 -6.086 1.112 1.00 10.00 C ATOM 651 C VAL A 43 -4.354 -6.581 0.656 1.00 10.00 C ATOM 652 O VAL A 43 -4.746 -6.424 -0.501 1.00 10.00 O ATOM 653 CB VAL A 43 -1.824 -7.118 0.939 1.00 10.00 C ATOM 654 CG1 VAL A 43 -2.289 -8.576 1.005 1.00 10.00 C ATOM 655 CG2 VAL A 43 -1.081 -6.944 -0.396 1.00 10.00 C ATOM 0 H VAL A 43 -2.416 -6.108 3.139 1.00 10.00 H new ATOM 0 HA VAL A 43 -2.708 -5.264 0.444 1.00 10.00 H new ATOM 0 HB VAL A 43 -1.165 -6.914 1.783 1.00 10.00 H new ATOM 0 HG11 VAL A 43 -1.432 -9.237 0.875 1.00 10.00 H new ATOM 0 HG12 VAL A 43 -2.752 -8.767 1.973 1.00 10.00 H new ATOM 0 HG13 VAL A 43 -3.014 -8.763 0.213 1.00 10.00 H new ATOM 0 HG21 VAL A 43 -0.290 -7.690 -0.472 1.00 10.00 H new ATOM 0 HG22 VAL A 43 -1.781 -7.073 -1.221 1.00 10.00 H new ATOM 0 HG23 VAL A 43 -0.645 -5.946 -0.442 1.00 10.00 H new ATOM 665 N LYS A 44 -5.143 -7.118 1.598 1.00 10.00 N ATOM 666 CA LYS A 44 -6.550 -7.435 1.382 1.00 10.00 C ATOM 667 C LYS A 44 -7.383 -6.186 1.023 1.00 10.00 C ATOM 668 O LYS A 44 -8.077 -6.178 0.008 1.00 10.00 O ATOM 669 CB LYS A 44 -7.139 -8.203 2.577 1.00 10.00 C ATOM 670 CG LYS A 44 -6.399 -9.496 2.965 1.00 10.00 C ATOM 671 CD LYS A 44 -6.430 -10.627 1.921 1.00 10.00 C ATOM 672 CE LYS A 44 -5.031 -11.013 1.390 1.00 10.00 C ATOM 673 NZ LYS A 44 -4.829 -12.479 1.326 1.00 10.00 N ATOM 0 H LYS A 44 -4.814 -7.344 2.537 1.00 10.00 H new ATOM 0 HA LYS A 44 -6.603 -8.094 0.516 1.00 10.00 H new ATOM 0 HB2 LYS A 44 -7.152 -7.540 3.442 1.00 10.00 H new ATOM 0 HB3 LYS A 44 -8.176 -8.453 2.351 1.00 10.00 H new ATOM 0 HG2 LYS A 44 -5.358 -9.248 3.173 1.00 10.00 H new ATOM 0 HG3 LYS A 44 -6.828 -9.873 3.893 1.00 10.00 H new ATOM 0 HD2 LYS A 44 -6.898 -11.507 2.363 1.00 10.00 H new ATOM 0 HD3 LYS A 44 -7.056 -10.321 1.083 1.00 10.00 H new ATOM 0 HE2 LYS A 44 -4.894 -10.588 0.396 1.00 10.00 H new ATOM 0 HE3 LYS A 44 -4.269 -10.573 2.033 1.00 10.00 H new ATOM 0 HZ1 LYS A 44 -3.876 -12.683 0.964 1.00 10.00 H new ATOM 0 HZ2 LYS A 44 -4.932 -12.885 2.278 1.00 10.00 H new ATOM 0 HZ3 LYS A 44 -5.538 -12.900 0.692 1.00 10.00 H new ATOM 687 N SER A 45 -7.292 -5.106 1.807 1.00 10.00 N ATOM 688 CA SER A 45 -8.015 -3.865 1.527 1.00 10.00 C ATOM 689 C SER A 45 -7.560 -3.276 0.192 1.00 10.00 C ATOM 690 O SER A 45 -8.354 -2.725 -0.568 1.00 10.00 O ATOM 691 CB SER A 45 -7.802 -2.862 2.667 1.00 10.00 C ATOM 692 OG SER A 45 -8.285 -3.415 3.876 1.00 10.00 O ATOM 0 H SER A 45 -6.717 -5.069 2.649 1.00 10.00 H new ATOM 0 HA SER A 45 -9.080 -4.084 1.457 1.00 10.00 H new ATOM 0 HB2 SER A 45 -6.743 -2.622 2.762 1.00 10.00 H new ATOM 0 HB3 SER A 45 -8.322 -1.929 2.448 1.00 10.00 H new ATOM 0 HG SER A 45 -8.148 -2.776 4.606 1.00 10.00 H new ATOM 698 N VAL A 46 -6.268 -3.423 -0.109 1.00 10.00 N ATOM 699 CA VAL A 46 -5.687 -2.972 -1.357 1.00 10.00 C ATOM 700 C VAL A 46 -6.316 -3.690 -2.555 1.00 10.00 C ATOM 701 O VAL A 46 -6.839 -3.041 -3.461 1.00 10.00 O ATOM 702 CB VAL A 46 -4.165 -3.132 -1.286 1.00 10.00 C ATOM 703 CG1 VAL A 46 -3.495 -3.078 -2.655 1.00 10.00 C ATOM 704 CG2 VAL A 46 -3.530 -2.087 -0.371 1.00 10.00 C ATOM 0 H VAL A 46 -5.596 -3.864 0.519 1.00 10.00 H new ATOM 0 HA VAL A 46 -5.904 -1.915 -1.507 1.00 10.00 H new ATOM 0 HB VAL A 46 -3.998 -4.126 -0.870 1.00 10.00 H new ATOM 0 HG11 VAL A 46 -2.418 -3.197 -2.538 1.00 10.00 H new ATOM 0 HG12 VAL A 46 -3.883 -3.881 -3.282 1.00 10.00 H new ATOM 0 HG13 VAL A 46 -3.705 -2.117 -3.125 1.00 10.00 H new ATOM 0 HG21 VAL A 46 -2.450 -2.233 -0.346 1.00 10.00 H new ATOM 0 HG22 VAL A 46 -3.753 -1.089 -0.749 1.00 10.00 H new ATOM 0 HG23 VAL A 46 -3.933 -2.192 0.636 1.00 10.00 H new ATOM 714 N LYS A 47 -6.299 -5.028 -2.550 1.00 10.00 N ATOM 715 CA LYS A 47 -6.924 -5.826 -3.607 1.00 10.00 C ATOM 716 C LYS A 47 -8.410 -5.476 -3.788 1.00 10.00 C ATOM 717 O LYS A 47 -8.900 -5.390 -4.911 1.00 10.00 O ATOM 718 CB LYS A 47 -6.601 -7.312 -3.421 1.00 10.00 C ATOM 719 CG LYS A 47 -7.668 -8.121 -2.682 1.00 10.00 C ATOM 720 CD LYS A 47 -7.014 -9.210 -1.830 1.00 10.00 C ATOM 721 CE LYS A 47 -6.733 -10.544 -2.542 1.00 10.00 C ATOM 722 NZ LYS A 47 -5.458 -10.537 -3.301 1.00 10.00 N ATOM 0 H LYS A 47 -5.855 -5.583 -1.818 1.00 10.00 H new ATOM 0 HA LYS A 47 -6.487 -5.564 -4.571 1.00 10.00 H new ATOM 0 HB2 LYS A 47 -6.443 -7.759 -4.403 1.00 10.00 H new ATOM 0 HB3 LYS A 47 -5.660 -7.398 -2.877 1.00 10.00 H new ATOM 0 HG2 LYS A 47 -8.260 -7.461 -2.048 1.00 10.00 H new ATOM 0 HG3 LYS A 47 -8.353 -8.573 -3.399 1.00 10.00 H new ATOM 0 HD2 LYS A 47 -6.072 -8.823 -1.441 1.00 10.00 H new ATOM 0 HD3 LYS A 47 -7.656 -9.407 -0.972 1.00 10.00 H new ATOM 0 HE2 LYS A 47 -6.706 -11.345 -1.804 1.00 10.00 H new ATOM 0 HE3 LYS A 47 -7.554 -10.766 -3.223 1.00 10.00 H new ATOM 0 HZ1 LYS A 47 -5.322 -11.461 -3.759 1.00 10.00 H new ATOM 0 HZ2 LYS A 47 -5.490 -9.792 -4.026 1.00 10.00 H new ATOM 0 HZ3 LYS A 47 -4.668 -10.353 -2.650 1.00 10.00 H new ATOM 736 N THR A 48 -9.096 -5.179 -2.682 1.00 10.00 N ATOM 737 CA THR A 48 -10.506 -4.790 -2.692 1.00 10.00 C ATOM 738 C THR A 48 -10.723 -3.377 -3.249 1.00 10.00 C ATOM 739 O THR A 48 -11.679 -3.160 -3.989 1.00 10.00 O ATOM 740 CB THR A 48 -11.065 -4.902 -1.265 1.00 10.00 C ATOM 741 OG1 THR A 48 -11.061 -6.261 -0.886 1.00 10.00 O ATOM 742 CG2 THR A 48 -12.500 -4.383 -1.136 1.00 10.00 C ATOM 0 H THR A 48 -8.685 -5.202 -1.749 1.00 10.00 H new ATOM 0 HA THR A 48 -11.040 -5.468 -3.358 1.00 10.00 H new ATOM 0 HB THR A 48 -10.431 -4.289 -0.625 1.00 10.00 H new ATOM 0 HG1 THR A 48 -10.174 -6.504 -0.548 1.00 10.00 H new ATOM 0 HG21 THR A 48 -12.834 -4.491 -0.104 1.00 10.00 H new ATOM 0 HG22 THR A 48 -12.533 -3.331 -1.420 1.00 10.00 H new ATOM 0 HG23 THR A 48 -13.155 -4.957 -1.791 1.00 10.00 H new ATOM 750 N GLY A 49 -9.865 -2.411 -2.902 1.00 10.00 N ATOM 751 CA GLY A 49 -10.123 -1.001 -3.167 1.00 10.00 C ATOM 752 C GLY A 49 -10.966 -0.379 -2.055 1.00 10.00 C ATOM 753 O GLY A 49 -12.121 -0.748 -1.847 1.00 10.00 O ATOM 0 H GLY A 49 -8.977 -2.589 -2.432 1.00 10.00 H new ATOM 0 HA2 GLY A 49 -9.178 -0.465 -3.254 1.00 10.00 H new ATOM 0 HA3 GLY A 49 -10.639 -0.895 -4.121 1.00 10.00 H new ATOM 757 N LEU A 50 -10.377 0.568 -1.329 1.00 10.00 N ATOM 758 CA LEU A 50 -11.094 1.422 -0.387 1.00 10.00 C ATOM 759 C LEU A 50 -11.977 2.444 -1.149 1.00 10.00 C ATOM 760 O LEU A 50 -12.245 2.290 -2.335 1.00 10.00 O ATOM 761 CB LEU A 50 -10.046 2.060 0.539 1.00 10.00 C ATOM 762 CG LEU A 50 -10.595 2.479 1.915 1.00 10.00 C ATOM 763 CD1 LEU A 50 -10.144 1.493 2.998 1.00 10.00 C ATOM 764 CD2 LEU A 50 -10.102 3.885 2.269 1.00 10.00 C ATOM 0 H LEU A 50 -9.378 0.766 -1.379 1.00 10.00 H new ATOM 0 HA LEU A 50 -11.792 0.857 0.231 1.00 10.00 H new ATOM 0 HB2 LEU A 50 -9.229 1.354 0.686 1.00 10.00 H new ATOM 0 HB3 LEU A 50 -9.626 2.936 0.045 1.00 10.00 H new ATOM 0 HG LEU A 50 -11.684 2.476 1.866 1.00 10.00 H new ATOM 0 HD11 LEU A 50 -10.542 1.806 3.963 1.00 10.00 H new ATOM 0 HD12 LEU A 50 -10.514 0.496 2.759 1.00 10.00 H new ATOM 0 HD13 LEU A 50 -9.055 1.475 3.043 1.00 10.00 H new ATOM 0 HD21 LEU A 50 -10.495 4.174 3.244 1.00 10.00 H new ATOM 0 HD22 LEU A 50 -9.012 3.891 2.301 1.00 10.00 H new ATOM 0 HD23 LEU A 50 -10.447 4.592 1.515 1.00 10.00 H new ATOM 776 N ASN A 51 -12.447 3.510 -0.494 1.00 10.00 N ATOM 777 CA ASN A 51 -13.419 4.437 -1.093 1.00 10.00 C ATOM 778 C ASN A 51 -12.776 5.283 -2.197 1.00 10.00 C ATOM 779 O ASN A 51 -13.138 5.218 -3.367 1.00 10.00 O ATOM 780 CB ASN A 51 -14.032 5.340 -0.009 1.00 10.00 C ATOM 781 CG ASN A 51 -14.356 4.543 1.242 1.00 10.00 C ATOM 782 OD1 ASN A 51 -13.415 4.522 2.177 1.00 10.00 O flip ATOM 783 ND2 ASN A 51 -15.392 3.903 1.352 1.00 10.00 N flip ATOM 0 H ASN A 51 -12.170 3.755 0.456 1.00 10.00 H new ATOM 0 HA ASN A 51 -14.213 3.845 -1.549 1.00 10.00 H new ATOM 0 HB2 ASN A 51 -13.337 6.143 0.237 1.00 10.00 H new ATOM 0 HB3 ASN A 51 -14.939 5.809 -0.391 1.00 10.00 H new ATOM 0 HD21 ASN A 51 -16.096 3.941 0.615 1.00 10.00 H new ATOM 0 HD22 ASN A 51 -15.553 3.331 2.181 1.00 10.00 H new ATOM 790 N ALA A 52 -11.790 6.081 -1.786 1.00 10.00 N ATOM 791 CA ALA A 52 -10.943 6.879 -2.663 1.00 10.00 C ATOM 792 C ALA A 52 -9.885 6.033 -3.393 1.00 10.00 C ATOM 793 O ALA A 52 -9.255 6.516 -4.332 1.00 10.00 O ATOM 794 CB ALA A 52 -10.276 7.958 -1.805 1.00 10.00 C ATOM 0 H ALA A 52 -11.554 6.191 -0.800 1.00 10.00 H new ATOM 0 HA ALA A 52 -11.558 7.325 -3.444 1.00 10.00 H new ATOM 0 HB1 ALA A 52 -9.633 8.575 -2.432 1.00 10.00 H new ATOM 0 HB2 ALA A 52 -11.042 8.582 -1.345 1.00 10.00 H new ATOM 0 HB3 ALA A 52 -9.678 7.485 -1.026 1.00 10.00 H new ATOM 800 N MET A 53 -9.652 4.795 -2.941 1.00 10.00 N ATOM 801 CA MET A 53 -8.568 3.950 -3.443 1.00 10.00 C ATOM 802 C MET A 53 -9.077 2.871 -4.418 1.00 10.00 C ATOM 803 O MET A 53 -9.904 2.050 -4.026 1.00 10.00 O ATOM 804 CB MET A 53 -7.880 3.328 -2.231 1.00 10.00 C ATOM 805 CG MET A 53 -6.456 2.866 -2.525 1.00 10.00 C ATOM 806 SD MET A 53 -5.646 2.439 -0.973 1.00 10.00 S ATOM 807 CE MET A 53 -5.638 0.643 -1.088 1.00 10.00 C ATOM 0 H MET A 53 -10.214 4.352 -2.214 1.00 10.00 H new ATOM 0 HA MET A 53 -7.863 4.553 -4.016 1.00 10.00 H new ATOM 0 HB2 MET A 53 -7.860 4.055 -1.419 1.00 10.00 H new ATOM 0 HB3 MET A 53 -8.467 2.478 -1.883 1.00 10.00 H new ATOM 0 HG2 MET A 53 -6.470 2.004 -3.192 1.00 10.00 H new ATOM 0 HG3 MET A 53 -5.902 3.654 -3.034 1.00 10.00 H new ATOM 0 HE1 MET A 53 -5.333 0.219 -0.131 1.00 10.00 H new ATOM 0 HE2 MET A 53 -6.638 0.290 -1.340 1.00 10.00 H new ATOM 0 HE3 MET A 53 -4.938 0.331 -1.863 1.00 10.00 H new ATOM 817 N PRO A 54 -8.605 2.831 -5.674 1.00 10.00 N ATOM 818 CA PRO A 54 -9.154 1.929 -6.679 1.00 10.00 C ATOM 819 C PRO A 54 -8.884 0.450 -6.341 1.00 10.00 C ATOM 820 O PRO A 54 -7.928 0.142 -5.624 1.00 10.00 O ATOM 821 CB PRO A 54 -8.509 2.365 -8.002 1.00 10.00 C ATOM 822 CG PRO A 54 -7.181 2.976 -7.562 1.00 10.00 C ATOM 823 CD PRO A 54 -7.532 3.638 -6.231 1.00 10.00 C ATOM 0 HA PRO A 54 -10.241 1.993 -6.731 1.00 10.00 H new ATOM 0 HB2 PRO A 54 -8.360 1.520 -8.674 1.00 10.00 H new ATOM 0 HB3 PRO A 54 -9.128 3.088 -8.532 1.00 10.00 H new ATOM 0 HG2 PRO A 54 -6.407 2.218 -7.444 1.00 10.00 H new ATOM 0 HG3 PRO A 54 -6.810 3.700 -8.287 1.00 10.00 H new ATOM 0 HD2 PRO A 54 -6.670 3.662 -5.564 1.00 10.00 H new ATOM 0 HD3 PRO A 54 -7.851 4.670 -6.377 1.00 10.00 H new ATOM 831 N PRO A 55 -9.720 -0.473 -6.852 1.00 10.00 N ATOM 832 CA PRO A 55 -9.579 -1.903 -6.611 1.00 10.00 C ATOM 833 C PRO A 55 -8.209 -2.390 -7.076 1.00 10.00 C ATOM 834 O PRO A 55 -7.762 -2.050 -8.172 1.00 10.00 O ATOM 835 CB PRO A 55 -10.745 -2.570 -7.348 1.00 10.00 C ATOM 836 CG PRO A 55 -11.085 -1.569 -8.451 1.00 10.00 C ATOM 837 CD PRO A 55 -10.810 -0.223 -7.783 1.00 10.00 C ATOM 0 HA PRO A 55 -9.623 -2.156 -5.552 1.00 10.00 H new ATOM 0 HB2 PRO A 55 -10.460 -3.539 -7.758 1.00 10.00 H new ATOM 0 HB3 PRO A 55 -11.593 -2.742 -6.686 1.00 10.00 H new ATOM 0 HG2 PRO A 55 -10.465 -1.716 -9.335 1.00 10.00 H new ATOM 0 HG3 PRO A 55 -12.123 -1.657 -8.771 1.00 10.00 H new ATOM 0 HD2 PRO A 55 -10.534 0.532 -8.519 1.00 10.00 H new ATOM 0 HD3 PRO A 55 -11.694 0.146 -7.264 1.00 10.00 H new ATOM 845 N GLY A 56 -7.496 -3.125 -6.218 1.00 10.00 N ATOM 846 CA GLY A 56 -6.125 -3.488 -6.515 1.00 10.00 C ATOM 847 C GLY A 56 -5.164 -2.304 -6.549 1.00 10.00 C ATOM 848 O GLY A 56 -4.172 -2.378 -7.263 1.00 10.00 O ATOM 0 H GLY A 56 -7.848 -3.472 -5.326 1.00 10.00 H new ATOM 0 HA2 GLY A 56 -5.779 -4.202 -5.768 1.00 10.00 H new ATOM 0 HA3 GLY A 56 -6.095 -3.995 -7.479 1.00 10.00 H new ATOM 852 N GLY A 57 -5.418 -1.239 -5.776 1.00 10.00 N ATOM 853 CA GLY A 57 -4.482 -0.137 -5.520 1.00 10.00 C ATOM 854 C GLY A 57 -3.767 0.432 -6.758 1.00 10.00 C ATOM 855 O GLY A 57 -2.644 0.920 -6.646 1.00 10.00 O ATOM 0 H GLY A 57 -6.310 -1.118 -5.296 1.00 10.00 H new ATOM 0 HA2 GLY A 57 -5.027 0.672 -5.034 1.00 10.00 H new ATOM 0 HA3 GLY A 57 -3.727 -0.483 -4.814 1.00 10.00 H new ATOM 859 N MET A 58 -4.417 0.362 -7.925 1.00 10.00 N ATOM 860 CA MET A 58 -3.878 0.716 -9.239 1.00 10.00 C ATOM 861 C MET A 58 -2.675 -0.149 -9.685 1.00 10.00 C ATOM 862 O MET A 58 -1.774 0.325 -10.371 1.00 10.00 O ATOM 863 CB MET A 58 -3.593 2.226 -9.306 1.00 10.00 C ATOM 864 CG MET A 58 -3.846 2.746 -10.729 1.00 10.00 C ATOM 865 SD MET A 58 -3.035 4.302 -11.166 1.00 10.00 S ATOM 866 CE MET A 58 -3.810 4.592 -12.766 1.00 10.00 C ATOM 0 H MET A 58 -5.383 0.040 -7.979 1.00 10.00 H new ATOM 0 HA MET A 58 -4.649 0.481 -9.973 1.00 10.00 H new ATOM 0 HB2 MET A 58 -4.230 2.756 -8.598 1.00 10.00 H new ATOM 0 HB3 MET A 58 -2.561 2.423 -9.016 1.00 10.00 H new ATOM 0 HG2 MET A 58 -3.524 1.981 -11.436 1.00 10.00 H new ATOM 0 HG3 MET A 58 -4.921 2.870 -10.862 1.00 10.00 H new ATOM 0 HE1 MET A 58 -3.428 5.519 -13.193 1.00 10.00 H new ATOM 0 HE2 MET A 58 -3.582 3.763 -13.436 1.00 10.00 H new ATOM 0 HE3 MET A 58 -4.890 4.669 -12.639 1.00 10.00 H new ATOM 876 N CYS A 59 -2.685 -1.438 -9.330 1.00 10.00 N ATOM 877 CA CYS A 59 -1.646 -2.431 -9.607 1.00 10.00 C ATOM 878 C CYS A 59 -2.265 -3.624 -10.358 1.00 10.00 C ATOM 879 O CYS A 59 -2.430 -4.714 -9.810 1.00 10.00 O ATOM 880 CB CYS A 59 -0.982 -2.820 -8.278 1.00 10.00 C ATOM 881 SG CYS A 59 0.691 -3.509 -8.362 1.00 10.00 S ATOM 0 H CYS A 59 -3.466 -1.838 -8.811 1.00 10.00 H new ATOM 0 HA CYS A 59 -0.868 -2.030 -10.256 1.00 10.00 H new ATOM 0 HB2 CYS A 59 -0.952 -1.934 -7.643 1.00 10.00 H new ATOM 0 HB3 CYS A 59 -1.623 -3.548 -7.780 1.00 10.00 H new ATOM 886 N THR A 60 -2.638 -3.358 -11.617 1.00 10.00 N ATOM 887 CA THR A 60 -3.277 -4.250 -12.598 1.00 10.00 C ATOM 888 C THR A 60 -3.805 -5.582 -12.042 1.00 10.00 C ATOM 889 O THR A 60 -4.919 -5.629 -11.525 1.00 10.00 O ATOM 890 CB THR A 60 -2.361 -4.453 -13.821 1.00 10.00 C ATOM 891 OG1 THR A 60 -1.156 -5.104 -13.468 1.00 10.00 O ATOM 892 CG2 THR A 60 -2.005 -3.122 -14.489 1.00 10.00 C ATOM 0 H THR A 60 -2.487 -2.430 -12.012 1.00 10.00 H new ATOM 0 HA THR A 60 -4.184 -3.731 -12.909 1.00 10.00 H new ATOM 0 HB THR A 60 -2.924 -5.074 -14.518 1.00 10.00 H new ATOM 0 HG1 THR A 60 -1.051 -5.092 -12.494 1.00 10.00 H new ATOM 0 HG21 THR A 60 -1.358 -3.307 -15.347 1.00 10.00 H new ATOM 0 HG22 THR A 60 -2.917 -2.627 -14.822 1.00 10.00 H new ATOM 0 HG23 THR A 60 -1.486 -2.484 -13.774 1.00 10.00 H new ATOM 900 N ASP A 61 -3.011 -6.649 -12.164 1.00 10.00 N ATOM 901 CA ASP A 61 -3.279 -7.961 -11.582 1.00 10.00 C ATOM 902 C ASP A 61 -2.074 -8.400 -10.728 1.00 10.00 C ATOM 903 O ASP A 61 -1.443 -9.433 -10.951 1.00 10.00 O ATOM 904 CB ASP A 61 -3.651 -8.932 -12.714 1.00 10.00 C ATOM 905 CG ASP A 61 -4.342 -10.191 -12.207 1.00 10.00 C ATOM 906 OD1 ASP A 61 -4.357 -10.398 -10.974 1.00 10.00 O ATOM 907 OD2 ASP A 61 -4.867 -10.918 -13.077 1.00 10.00 O ATOM 0 H ASP A 61 -2.136 -6.620 -12.688 1.00 10.00 H new ATOM 0 HA ASP A 61 -4.129 -7.940 -10.900 1.00 10.00 H new ATOM 0 HB2 ASP A 61 -4.305 -8.424 -13.422 1.00 10.00 H new ATOM 0 HB3 ASP A 61 -2.749 -9.212 -13.258 1.00 10.00 H new ATOM 912 N CYS A 62 -1.693 -7.545 -9.774 1.00 10.00 N ATOM 913 CA CYS A 62 -0.554 -7.801 -8.902 1.00 10.00 C ATOM 914 C CYS A 62 -0.817 -8.943 -7.913 1.00 10.00 C ATOM 915 O CYS A 62 -1.877 -9.027 -7.297 1.00 10.00 O ATOM 916 CB CYS A 62 -0.119 -6.490 -8.249 1.00 10.00 C ATOM 917 SG CYS A 62 0.576 -5.315 -9.438 1.00 10.00 S ATOM 0 H CYS A 62 -2.167 -6.661 -9.589 1.00 10.00 H new ATOM 0 HA CYS A 62 0.285 -8.164 -9.497 1.00 10.00 H new ATOM 0 HB2 CYS A 62 -0.976 -6.034 -7.752 1.00 10.00 H new ATOM 0 HB3 CYS A 62 0.622 -6.701 -7.478 1.00 10.00 H new ATOM 922 N THR A 63 0.168 -9.836 -7.776 1.00 10.00 N ATOM 923 CA THR A 63 0.105 -11.015 -6.918 1.00 10.00 C ATOM 924 C THR A 63 0.836 -10.747 -5.605 1.00 10.00 C ATOM 925 O THR A 63 1.893 -10.111 -5.598 1.00 10.00 O ATOM 926 CB THR A 63 0.688 -12.248 -7.630 1.00 10.00 C ATOM 927 OG1 THR A 63 0.948 -13.249 -6.666 1.00 10.00 O ATOM 928 CG2 THR A 63 1.983 -11.959 -8.396 1.00 10.00 C ATOM 0 H THR A 63 1.054 -9.753 -8.274 1.00 10.00 H new ATOM 0 HA THR A 63 -0.941 -11.226 -6.697 1.00 10.00 H new ATOM 0 HB THR A 63 -0.052 -12.569 -8.363 1.00 10.00 H new ATOM 0 HG1 THR A 63 1.319 -14.041 -7.109 1.00 10.00 H new ATOM 0 HG21 THR A 63 2.336 -12.874 -8.872 1.00 10.00 H new ATOM 0 HG22 THR A 63 1.794 -11.203 -9.158 1.00 10.00 H new ATOM 0 HG23 THR A 63 2.742 -11.595 -7.703 1.00 10.00 H new ATOM 936 N ASP A 64 0.265 -11.238 -4.499 1.00 10.00 N ATOM 937 CA ASP A 64 0.795 -11.175 -3.148 1.00 10.00 C ATOM 938 C ASP A 64 2.323 -11.392 -3.075 1.00 10.00 C ATOM 939 O ASP A 64 3.003 -10.688 -2.332 1.00 10.00 O ATOM 940 CB ASP A 64 -0.044 -12.146 -2.306 1.00 10.00 C ATOM 941 CG ASP A 64 -1.401 -11.540 -1.936 1.00 10.00 C ATOM 942 OD1 ASP A 64 -1.399 -10.654 -1.061 1.00 10.00 O ATOM 943 OD2 ASP A 64 -2.432 -11.942 -2.526 1.00 10.00 O ATOM 0 H ASP A 64 -0.634 -11.718 -4.535 1.00 10.00 H new ATOM 0 HA ASP A 64 0.700 -10.170 -2.737 1.00 10.00 H new ATOM 0 HB2 ASP A 64 -0.197 -13.072 -2.861 1.00 10.00 H new ATOM 0 HB3 ASP A 64 0.500 -12.405 -1.398 1.00 10.00 H new ATOM 948 N GLU A 65 2.868 -12.284 -3.909 1.00 10.00 N ATOM 949 CA GLU A 65 4.302 -12.423 -4.192 1.00 10.00 C ATOM 950 C GLU A 65 5.059 -11.073 -4.227 1.00 10.00 C ATOM 951 O GLU A 65 5.968 -10.865 -3.423 1.00 10.00 O ATOM 952 CB GLU A 65 4.471 -13.181 -5.519 1.00 10.00 C ATOM 953 CG GLU A 65 3.993 -14.645 -5.447 1.00 10.00 C ATOM 954 CD GLU A 65 5.104 -15.624 -5.084 1.00 10.00 C ATOM 955 OE1 GLU A 65 5.787 -15.366 -4.069 1.00 10.00 O ATOM 956 OE2 GLU A 65 5.241 -16.615 -5.831 1.00 10.00 O ATOM 0 H GLU A 65 2.301 -12.956 -4.426 1.00 10.00 H new ATOM 0 HA GLU A 65 4.749 -12.984 -3.371 1.00 10.00 H new ATOM 0 HB2 GLU A 65 3.915 -12.662 -6.300 1.00 10.00 H new ATOM 0 HB3 GLU A 65 5.521 -13.162 -5.809 1.00 10.00 H new ATOM 0 HG2 GLU A 65 3.194 -14.723 -4.710 1.00 10.00 H new ATOM 0 HG3 GLU A 65 3.568 -14.929 -6.410 1.00 10.00 H new ATOM 963 N ASP A 66 4.673 -10.150 -5.122 1.00 10.00 N ATOM 964 CA ASP A 66 5.303 -8.835 -5.252 1.00 10.00 C ATOM 965 C ASP A 66 4.501 -7.762 -4.494 1.00 10.00 C ATOM 966 O ASP A 66 5.069 -6.772 -4.037 1.00 10.00 O ATOM 967 CB ASP A 66 5.512 -8.503 -6.747 1.00 10.00 C ATOM 968 CG ASP A 66 6.840 -8.964 -7.326 1.00 10.00 C ATOM 969 OD1 ASP A 66 7.847 -8.899 -6.591 1.00 10.00 O ATOM 970 OD2 ASP A 66 6.826 -9.302 -8.528 1.00 10.00 O ATOM 0 H ASP A 66 3.908 -10.301 -5.779 1.00 10.00 H new ATOM 0 HA ASP A 66 6.288 -8.851 -4.786 1.00 10.00 H new ATOM 0 HB2 ASP A 66 4.705 -8.957 -7.321 1.00 10.00 H new ATOM 0 HB3 ASP A 66 5.429 -7.424 -6.880 1.00 10.00 H new ATOM 975 N TYR A 67 3.191 -7.958 -4.289 1.00 10.00 N ATOM 976 CA TYR A 67 2.367 -7.043 -3.518 1.00 10.00 C ATOM 977 C TYR A 67 2.887 -6.928 -2.084 1.00 10.00 C ATOM 978 O TYR A 67 3.182 -5.834 -1.615 1.00 10.00 O ATOM 979 CB TYR A 67 0.910 -7.536 -3.531 1.00 10.00 C ATOM 980 CG TYR A 67 -0.116 -6.626 -4.157 1.00 10.00 C ATOM 981 CD1 TYR A 67 -0.071 -5.237 -3.949 1.00 10.00 C ATOM 982 CD2 TYR A 67 -1.197 -7.199 -4.853 1.00 10.00 C ATOM 983 CE1 TYR A 67 -1.055 -4.422 -4.521 1.00 10.00 C ATOM 984 CE2 TYR A 67 -2.193 -6.379 -5.403 1.00 10.00 C ATOM 985 CZ TYR A 67 -2.109 -4.992 -5.241 1.00 10.00 C ATOM 986 OH TYR A 67 -3.111 -4.197 -5.677 1.00 10.00 O ATOM 0 H TYR A 67 2.681 -8.760 -4.658 1.00 10.00 H new ATOM 0 HA TYR A 67 2.412 -6.052 -3.969 1.00 10.00 H new ATOM 0 HB2 TYR A 67 0.880 -8.491 -4.056 1.00 10.00 H new ATOM 0 HB3 TYR A 67 0.609 -7.728 -2.501 1.00 10.00 H new ATOM 0 HD1 TYR A 67 0.717 -4.801 -3.352 1.00 10.00 H new ATOM 0 HD2 TYR A 67 -1.260 -8.271 -4.964 1.00 10.00 H new ATOM 0 HE1 TYR A 67 -1.000 -3.350 -4.406 1.00 10.00 H new ATOM 0 HE2 TYR A 67 -3.018 -6.815 -5.947 1.00 10.00 H new ATOM 0 HH TYR A 67 -2.745 -3.331 -5.954 1.00 10.00 H new ATOM 996 N LYS A 68 3.042 -8.058 -1.387 1.00 10.00 N ATOM 997 CA LYS A 68 3.456 -8.103 0.012 1.00 10.00 C ATOM 998 C LYS A 68 4.854 -7.498 0.170 1.00 10.00 C ATOM 999 O LYS A 68 5.129 -6.739 1.095 1.00 10.00 O ATOM 1000 CB LYS A 68 3.350 -9.531 0.582 1.00 10.00 C ATOM 1001 CG LYS A 68 4.625 -10.373 0.417 1.00 10.00 C ATOM 1002 CD LYS A 68 4.439 -11.758 1.048 1.00 10.00 C ATOM 1003 CE LYS A 68 5.775 -12.504 1.185 1.00 10.00 C ATOM 1004 NZ LYS A 68 6.705 -11.817 2.113 1.00 10.00 N ATOM 0 H LYS A 68 2.880 -8.981 -1.789 1.00 10.00 H new ATOM 0 HA LYS A 68 2.773 -7.493 0.603 1.00 10.00 H new ATOM 0 HB2 LYS A 68 3.104 -9.469 1.642 1.00 10.00 H new ATOM 0 HB3 LYS A 68 2.523 -10.045 0.092 1.00 10.00 H new ATOM 0 HG2 LYS A 68 4.864 -10.478 -0.641 1.00 10.00 H new ATOM 0 HG3 LYS A 68 5.467 -9.864 0.885 1.00 10.00 H new ATOM 0 HD2 LYS A 68 3.979 -11.651 2.031 1.00 10.00 H new ATOM 0 HD3 LYS A 68 3.754 -12.347 0.438 1.00 10.00 H new ATOM 0 HE2 LYS A 68 5.589 -13.517 1.543 1.00 10.00 H new ATOM 0 HE3 LYS A 68 6.242 -12.593 0.204 1.00 10.00 H new ATOM 0 HZ1 LYS A 68 7.447 -12.480 2.414 1.00 10.00 H new ATOM 0 HZ2 LYS A 68 7.141 -11.005 1.630 1.00 10.00 H new ATOM 0 HZ3 LYS A 68 6.180 -11.483 2.946 1.00 10.00 H new ATOM 1018 N ALA A 69 5.740 -7.805 -0.778 1.00 10.00 N ATOM 1019 CA ALA A 69 7.035 -7.157 -0.863 1.00 10.00 C ATOM 1020 C ALA A 69 6.900 -5.628 -1.005 1.00 10.00 C ATOM 1021 O ALA A 69 7.751 -4.876 -0.538 1.00 10.00 O ATOM 1022 CB ALA A 69 7.816 -7.791 -2.009 1.00 10.00 C ATOM 0 H ALA A 69 5.575 -8.506 -1.501 1.00 10.00 H new ATOM 0 HA ALA A 69 7.588 -7.310 0.064 1.00 10.00 H new ATOM 0 HB1 ALA A 69 8.794 -7.316 -2.089 1.00 10.00 H new ATOM 0 HB2 ALA A 69 7.944 -8.856 -1.817 1.00 10.00 H new ATOM 0 HB3 ALA A 69 7.269 -7.654 -2.942 1.00 10.00 H new ATOM 1028 N ALA A 70 5.826 -5.139 -1.636 1.00 10.00 N ATOM 1029 CA ALA A 70 5.686 -3.716 -1.950 1.00 10.00 C ATOM 1030 C ALA A 70 5.253 -2.936 -0.714 1.00 10.00 C ATOM 1031 O ALA A 70 5.774 -1.861 -0.438 1.00 10.00 O ATOM 1032 CB ALA A 70 4.738 -3.512 -3.136 1.00 10.00 C ATOM 0 H ALA A 70 5.039 -5.712 -1.940 1.00 10.00 H new ATOM 0 HA ALA A 70 6.657 -3.323 -2.252 1.00 10.00 H new ATOM 0 HB1 ALA A 70 4.649 -2.447 -3.352 1.00 10.00 H new ATOM 0 HB2 ALA A 70 5.134 -4.028 -4.011 1.00 10.00 H new ATOM 0 HB3 ALA A 70 3.756 -3.916 -2.890 1.00 10.00 H new ATOM 1038 N ILE A 71 4.342 -3.515 0.066 1.00 10.00 N ATOM 1039 CA ILE A 71 3.944 -2.967 1.353 1.00 10.00 C ATOM 1040 C ILE A 71 5.074 -3.105 2.385 1.00 10.00 C ATOM 1041 O ILE A 71 5.370 -2.163 3.125 1.00 10.00 O ATOM 1042 CB ILE A 71 2.595 -3.581 1.771 1.00 10.00 C ATOM 1043 CG1 ILE A 71 2.323 -3.489 3.260 1.00 10.00 C ATOM 1044 CG2 ILE A 71 2.378 -5.037 1.407 1.00 10.00 C ATOM 1045 CD1 ILE A 71 2.818 -4.660 4.125 1.00 10.00 C ATOM 0 H ILE A 71 3.860 -4.379 -0.181 1.00 10.00 H new ATOM 0 HA ILE A 71 3.779 -1.892 1.281 1.00 10.00 H new ATOM 0 HB ILE A 71 1.911 -2.962 1.190 1.00 10.00 H new ATOM 0 HG12 ILE A 71 2.780 -2.573 3.634 1.00 10.00 H new ATOM 0 HG13 ILE A 71 1.247 -3.390 3.404 1.00 10.00 H new ATOM 0 HG21 ILE A 71 1.395 -5.356 1.753 1.00 10.00 H new ATOM 0 HG22 ILE A 71 2.438 -5.154 0.325 1.00 10.00 H new ATOM 0 HG23 ILE A 71 3.145 -5.649 1.881 1.00 10.00 H new ATOM 0 HD11 ILE A 71 2.563 -4.475 5.168 1.00 10.00 H new ATOM 0 HD12 ILE A 71 2.343 -5.583 3.794 1.00 10.00 H new ATOM 0 HD13 ILE A 71 3.900 -4.753 4.027 1.00 10.00 H new ATOM 1057 N GLU A 72 5.743 -4.263 2.425 1.00 10.00 N ATOM 1058 CA GLU A 72 6.842 -4.456 3.374 1.00 10.00 C ATOM 1059 C GLU A 72 8.026 -3.523 3.068 1.00 10.00 C ATOM 1060 O GLU A 72 8.651 -3.011 3.993 1.00 10.00 O ATOM 1061 CB GLU A 72 7.189 -5.941 3.575 1.00 10.00 C ATOM 1062 CG GLU A 72 8.102 -6.556 2.504 1.00 10.00 C ATOM 1063 CD GLU A 72 9.541 -6.771 2.955 1.00 10.00 C ATOM 1064 OE1 GLU A 72 10.237 -5.753 3.143 1.00 10.00 O ATOM 1065 OE2 GLU A 72 9.908 -7.959 3.090 1.00 10.00 O ATOM 0 H GLU A 72 5.548 -5.064 1.825 1.00 10.00 H new ATOM 0 HA GLU A 72 6.504 -4.143 4.362 1.00 10.00 H new ATOM 0 HB2 GLU A 72 7.669 -6.056 4.547 1.00 10.00 H new ATOM 0 HB3 GLU A 72 6.261 -6.512 3.608 1.00 10.00 H new ATOM 0 HG2 GLU A 72 7.684 -7.514 2.193 1.00 10.00 H new ATOM 0 HG3 GLU A 72 8.101 -5.908 1.627 1.00 10.00 H new ATOM 1072 N PHE A 73 8.242 -3.177 1.790 1.00 10.00 N ATOM 1073 CA PHE A 73 9.218 -2.159 1.413 1.00 10.00 C ATOM 1074 C PHE A 73 9.032 -0.854 2.203 1.00 10.00 C ATOM 1075 O PHE A 73 9.997 -0.306 2.731 1.00 10.00 O ATOM 1076 CB PHE A 73 9.149 -1.898 -0.095 1.00 10.00 C ATOM 1077 CG PHE A 73 10.333 -1.108 -0.614 1.00 10.00 C ATOM 1078 CD1 PHE A 73 10.417 0.282 -0.398 1.00 10.00 C ATOM 1079 CD2 PHE A 73 11.402 -1.782 -1.231 1.00 10.00 C ATOM 1080 CE1 PHE A 73 11.542 0.997 -0.842 1.00 10.00 C ATOM 1081 CE2 PHE A 73 12.525 -1.065 -1.678 1.00 10.00 C ATOM 1082 CZ PHE A 73 12.581 0.329 -1.510 1.00 10.00 C ATOM 0 H PHE A 73 7.748 -3.593 1.001 1.00 10.00 H new ATOM 0 HA PHE A 73 10.207 -2.541 1.664 1.00 10.00 H new ATOM 0 HB2 PHE A 73 9.097 -2.851 -0.621 1.00 10.00 H new ATOM 0 HB3 PHE A 73 8.230 -1.357 -0.323 1.00 10.00 H new ATOM 0 HD1 PHE A 73 9.616 0.798 0.109 1.00 10.00 H new ATOM 0 HD2 PHE A 73 11.360 -2.853 -1.362 1.00 10.00 H new ATOM 0 HE1 PHE A 73 11.608 2.061 -0.669 1.00 10.00 H new ATOM 0 HE2 PHE A 73 13.345 -1.585 -2.151 1.00 10.00 H new ATOM 0 HZ PHE A 73 13.423 0.886 -1.894 1.00 10.00 H new ATOM 1092 N MET A 74 7.795 -0.342 2.290 1.00 10.00 N ATOM 1093 CA MET A 74 7.528 0.821 3.130 1.00 10.00 C ATOM 1094 C MET A 74 7.765 0.510 4.611 1.00 10.00 C ATOM 1095 O MET A 74 8.396 1.304 5.308 1.00 10.00 O ATOM 1096 CB MET A 74 6.106 1.361 2.933 1.00 10.00 C ATOM 1097 CG MET A 74 5.918 2.140 1.619 1.00 10.00 C ATOM 1098 SD MET A 74 5.370 1.229 0.151 1.00 10.00 S ATOM 1099 CE MET A 74 3.571 1.168 0.357 1.00 10.00 C ATOM 0 H MET A 74 6.982 -0.711 1.797 1.00 10.00 H new ATOM 0 HA MET A 74 8.231 1.593 2.817 1.00 10.00 H new ATOM 0 HB2 MET A 74 5.404 0.528 2.955 1.00 10.00 H new ATOM 0 HB3 MET A 74 5.854 2.012 3.770 1.00 10.00 H new ATOM 0 HG2 MET A 74 5.197 2.936 1.805 1.00 10.00 H new ATOM 0 HG3 MET A 74 6.867 2.619 1.378 1.00 10.00 H new ATOM 0 HE1 MET A 74 3.109 0.846 -0.576 1.00 10.00 H new ATOM 0 HE2 MET A 74 3.319 0.463 1.149 1.00 10.00 H new ATOM 0 HE3 MET A 74 3.201 2.159 0.622 1.00 10.00 H new ATOM 1109 N SER A 75 7.242 -0.617 5.110 1.00 10.00 N ATOM 1110 CA SER A 75 7.512 -1.006 6.496 1.00 10.00 C ATOM 1111 C SER A 75 7.161 -2.474 6.751 1.00 10.00 C ATOM 1112 O SER A 75 8.049 -3.316 6.846 1.00 10.00 O ATOM 1113 CB SER A 75 6.778 -0.037 7.439 1.00 10.00 C ATOM 1114 OG SER A 75 6.627 -0.561 8.747 1.00 10.00 O ATOM 0 H SER A 75 6.645 -1.260 4.589 1.00 10.00 H new ATOM 0 HA SER A 75 8.581 -0.930 6.696 1.00 10.00 H new ATOM 0 HB2 SER A 75 7.328 0.903 7.489 1.00 10.00 H new ATOM 0 HB3 SER A 75 5.795 0.191 7.027 1.00 10.00 H new ATOM 0 HG SER A 75 6.157 0.091 9.308 1.00 10.00 H new ATOM 1120 N LYS A 76 5.863 -2.745 6.915 1.00 10.00 N ATOM 1121 CA LYS A 76 5.233 -4.018 7.235 1.00 10.00 C ATOM 1122 C LYS A 76 3.797 -3.770 7.734 1.00 10.00 C ATOM 1123 O LYS A 76 3.370 -4.359 8.724 1.00 10.00 O ATOM 1124 CB LYS A 76 6.071 -4.830 8.240 1.00 10.00 C ATOM 1125 CG LYS A 76 6.447 -4.047 9.510 1.00 10.00 C ATOM 1126 CD LYS A 76 7.885 -4.308 9.979 1.00 10.00 C ATOM 1127 CE LYS A 76 8.296 -3.188 10.945 1.00 10.00 C ATOM 1128 NZ LYS A 76 9.686 -3.354 11.415 1.00 10.00 N ATOM 0 H LYS A 76 5.167 -2.006 6.817 1.00 10.00 H new ATOM 0 HA LYS A 76 5.180 -4.625 6.331 1.00 10.00 H new ATOM 0 HB2 LYS A 76 5.514 -5.722 8.526 1.00 10.00 H new ATOM 0 HB3 LYS A 76 6.984 -5.168 7.749 1.00 10.00 H new ATOM 0 HG2 LYS A 76 6.321 -2.981 9.322 1.00 10.00 H new ATOM 0 HG3 LYS A 76 5.757 -4.313 10.311 1.00 10.00 H new ATOM 0 HD2 LYS A 76 7.952 -5.277 10.473 1.00 10.00 H new ATOM 0 HD3 LYS A 76 8.562 -4.338 9.125 1.00 10.00 H new ATOM 0 HE2 LYS A 76 8.193 -2.223 10.448 1.00 10.00 H new ATOM 0 HE3 LYS A 76 7.621 -3.180 11.801 1.00 10.00 H new ATOM 0 HZ1 LYS A 76 9.927 -2.579 12.065 1.00 10.00 H new ATOM 0 HZ2 LYS A 76 9.779 -4.264 11.911 1.00 10.00 H new ATOM 0 HZ3 LYS A 76 10.332 -3.336 10.600 1.00 10.00 H new ATOM 1142 N ALA A 77 3.041 -2.900 7.046 1.00 10.00 N ATOM 1143 CA ALA A 77 1.594 -2.799 7.245 1.00 10.00 C ATOM 1144 C ALA A 77 0.815 -2.306 6.018 1.00 10.00 C ATOM 1145 O ALA A 77 0.195 -3.117 5.349 1.00 10.00 O ATOM 1146 CB ALA A 77 1.260 -2.000 8.502 1.00 10.00 C ATOM 0 H ALA A 77 3.412 -2.257 6.347 1.00 10.00 H new ATOM 0 HA ALA A 77 1.248 -3.822 7.393 1.00 10.00 H new ATOM 0 HB1 ALA A 77 0.178 -1.944 8.621 1.00 10.00 H new ATOM 0 HB2 ALA A 77 1.695 -2.492 9.372 1.00 10.00 H new ATOM 0 HB3 ALA A 77 1.668 -0.993 8.412 1.00 10.00 H new ATOM 1152 N LYS A 78 0.773 -0.994 5.774 1.00 10.00 N ATOM 1153 CA LYS A 78 -0.154 -0.346 4.837 1.00 10.00 C ATOM 1154 C LYS A 78 0.389 0.011 3.432 1.00 10.00 C ATOM 1155 O LYS A 78 0.107 1.141 2.968 1.00 10.00 O ATOM 1156 CB LYS A 78 -0.791 0.864 5.536 1.00 10.00 C ATOM 1157 CG LYS A 78 0.268 1.914 5.883 1.00 10.00 C ATOM 1158 CD LYS A 78 -0.169 3.370 5.700 1.00 10.00 C ATOM 1159 CE LYS A 78 -0.222 4.128 7.026 1.00 10.00 C ATOM 1160 NZ LYS A 78 -1.606 4.460 7.424 1.00 10.00 N ATOM 1161 OXT LYS A 78 1.013 -0.865 2.799 1.00 10.00 O ATOM 0 H LYS A 78 1.399 -0.333 6.234 1.00 10.00 H new ATOM 0 HA LYS A 78 -0.899 -1.104 4.593 1.00 10.00 H new ATOM 0 HB2 LYS A 78 -1.549 1.306 4.889 1.00 10.00 H new ATOM 0 HB3 LYS A 78 -1.298 0.539 6.444 1.00 10.00 H new ATOM 0 HG2 LYS A 78 0.572 1.771 6.920 1.00 10.00 H new ATOM 0 HG3 LYS A 78 1.148 1.736 5.266 1.00 10.00 H new ATOM 0 HD2 LYS A 78 0.522 3.873 5.024 1.00 10.00 H new ATOM 0 HD3 LYS A 78 -1.152 3.396 5.229 1.00 10.00 H new ATOM 0 HE2 LYS A 78 0.244 3.526 7.806 1.00 10.00 H new ATOM 0 HE3 LYS A 78 0.360 5.046 6.942 1.00 10.00 H new ATOM 0 HZ1 LYS A 78 -1.725 5.493 7.438 1.00 10.00 H new ATOM 0 HZ2 LYS A 78 -2.272 4.044 6.742 1.00 10.00 H new ATOM 0 HZ3 LYS A 78 -1.796 4.077 8.372 1.00 10.00 H new TER 1175 LYS A 78 HETATM 1176 FE HEC A 90 -3.569 3.522 -0.611 1.00 10.00 FE HETATM 1177 CHA HEC A 90 -5.302 4.066 2.403 1.00 10.00 C HETATM 1178 CHB HEC A 90 -2.017 0.786 0.740 1.00 10.00 C HETATM 1179 CHC HEC A 90 -2.212 2.906 -3.706 1.00 10.00 C HETATM 1180 CHD HEC A 90 -4.992 6.496 -1.831 1.00 10.00 C HETATM 1181 NA HEC A 90 -3.691 2.562 1.221 1.00 10.00 N HETATM 1182 C1A HEC A 90 -4.485 2.937 2.271 1.00 10.00 C HETATM 1183 C2A HEC A 90 -4.316 1.942 3.298 1.00 10.00 C HETATM 1184 C3A HEC A 90 -3.439 1.000 2.814 1.00 10.00 C HETATM 1185 C4A HEC A 90 -2.981 1.443 1.523 1.00 10.00 C HETATM 1186 CMA HEC A 90 -3.186 -0.361 3.391 1.00 10.00 C HETATM 1187 CAA HEC A 90 -4.891 2.004 4.691 1.00 10.00 C HETATM 1188 CBA HEC A 90 -6.404 1.784 4.794 1.00 10.00 C HETATM 1189 CGA HEC A 90 -6.847 1.949 6.242 1.00 10.00 C HETATM 1190 O1A HEC A 90 -6.541 3.011 6.833 1.00 10.00 O HETATM 1191 O2A HEC A 90 -7.414 0.981 6.784 1.00 10.00 O HETATM 1192 NB HEC A 90 -2.354 2.086 -1.355 1.00 10.00 N HETATM 1193 C1B HEC A 90 -1.775 1.106 -0.601 1.00 10.00 C HETATM 1194 C2B HEC A 90 -0.825 0.417 -1.440 1.00 10.00 C HETATM 1195 C3B HEC A 90 -0.929 0.967 -2.707 1.00 10.00 C HETATM 1196 C4B HEC A 90 -1.892 2.047 -2.638 1.00 10.00 C HETATM 1197 CMB HEC A 90 0.128 -0.673 -0.967 1.00 10.00 C HETATM 1198 CAB HEC A 90 -0.052 0.649 -3.900 1.00 10.00 C HETATM 1199 CBB HEC A 90 -0.171 -0.802 -4.381 1.00 10.00 C HETATM 1200 NC HEC A 90 -3.598 4.528 -2.454 1.00 10.00 N HETATM 1201 C1C HEC A 90 -2.995 4.061 -3.580 1.00 10.00 C HETATM 1202 C2C HEC A 90 -3.281 5.002 -4.646 1.00 10.00 C HETATM 1203 C3C HEC A 90 -4.052 6.015 -4.108 1.00 10.00 C HETATM 1204 C4C HEC A 90 -4.240 5.709 -2.708 1.00 10.00 C HETATM 1205 CMC HEC A 90 -2.814 4.909 -6.081 1.00 10.00 C HETATM 1206 CAC HEC A 90 -4.665 7.212 -4.828 1.00 10.00 C HETATM 1207 CBC HEC A 90 -5.224 6.910 -6.219 1.00 10.00 C HETATM 1208 ND HEC A 90 -4.853 5.063 0.180 1.00 10.00 N HETATM 1209 C1D HEC A 90 -5.279 6.144 -0.520 1.00 10.00 C HETATM 1210 C2D HEC A 90 -6.176 6.888 0.327 1.00 10.00 C HETATM 1211 C3D HEC A 90 -6.317 6.182 1.497 1.00 10.00 C HETATM 1212 C4D HEC A 90 -5.442 5.035 1.411 1.00 10.00 C HETATM 1213 CMD HEC A 90 -6.899 8.158 -0.047 1.00 10.00 C HETATM 1214 CAD HEC A 90 -7.334 6.475 2.576 1.00 10.00 C HETATM 1215 CBD HEC A 90 -6.904 7.560 3.568 1.00 10.00 C HETATM 1216 CGD HEC A 90 -8.049 7.978 4.483 1.00 10.00 C HETATM 1217 O1D HEC A 90 -9.131 7.361 4.372 1.00 10.00 O HETATM 1218 O2D HEC A 90 -7.817 8.913 5.278 1.00 10.00 O HETATM 0 HMD3 HEC A 90 -6.172 8.930 -0.299 1.00 10.00 H new HETATM 0 HMD2 HEC A 90 -7.542 7.971 -0.907 1.00 10.00 H new HETATM 0 HMD1 HEC A 90 -7.506 8.492 0.794 1.00 10.00 H new HETATM 0 HMC3 HEC A 90 -1.724 4.907 -6.110 1.00 10.00 H new HETATM 0 HMC2 HEC A 90 -3.190 3.988 -6.527 1.00 10.00 H new HETATM 0 HMC1 HEC A 90 -3.190 5.764 -6.642 1.00 10.00 H new HETATM 0 HMB3 HEC A 90 0.781 -0.274 -0.191 1.00 10.00 H new HETATM 0 HMB2 HEC A 90 -0.445 -1.508 -0.565 1.00 10.00 H new HETATM 0 HMB1 HEC A 90 0.732 -1.018 -1.806 1.00 10.00 H new HETATM 0 HMA3 HEC A 90 -2.823 -0.261 4.414 1.00 10.00 H new HETATM 0 HMA2 HEC A 90 -4.113 -0.935 3.389 1.00 10.00 H new HETATM 0 HMA1 HEC A 90 -2.438 -0.878 2.790 1.00 10.00 H new HETATM 0 HBD2 HEC A 90 -6.073 7.193 4.170 1.00 10.00 H new HETATM 0 HBD1 HEC A 90 -6.541 8.430 3.020 1.00 10.00 H new HETATM 0 HBC3 HEC A 90 -4.425 6.536 -6.859 1.00 10.00 H new HETATM 0 HBC2 HEC A 90 -6.008 6.157 -6.140 1.00 10.00 H new HETATM 0 HBC1 HEC A 90 -5.638 7.821 -6.651 1.00 10.00 H new HETATM 0 HBB3 HEC A 90 0.119 -1.477 -3.576 1.00 10.00 H new HETATM 0 HBB2 HEC A 90 -1.202 -1.005 -4.672 1.00 10.00 H new HETATM 0 HBB1 HEC A 90 0.485 -0.956 -5.238 1.00 10.00 H new HETATM 0 HBA2 HEC A 90 -6.929 2.497 4.159 1.00 10.00 H new HETATM 0 HBA1 HEC A 90 -6.662 0.788 4.435 1.00 10.00 H new HETATM 0 HAD2 HEC A 90 -8.269 6.779 2.105 1.00 10.00 H new HETATM 0 HAD1 HEC A 90 -7.538 5.556 3.126 1.00 10.00 H new HETATM 0 HAA2 HEC A 90 -4.391 1.255 5.305 1.00 10.00 H new HETATM 0 HAA1 HEC A 90 -4.654 2.978 5.120 1.00 10.00 H new HETATM 0 HHD HEC A 90 -5.377 7.446 -2.200 1.00 10.00 H new HETATM 0 HHC HEC A 90 -1.826 2.657 -4.694 1.00 10.00 H new HETATM 0 HHB HEC A 90 -1.430 -0.010 1.198 1.00 10.00 H new HETATM 0 HHA HEC A 90 -5.859 4.194 3.331 1.00 10.00 H new HETATM 0 H2D HEC A 90 -8.619 9.097 5.810 1.00 10.00 H new