USER MOD reduce.3.24.130724 H: found=0, std=0, add=548, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 548 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 20 THR OG1 : rot -159:sc= -2.53! USER MOD Set 1.2: A 66 TYR OH : rot 130:sc= 0 USER MOD Set 2.1: A 61 THR OG1 : rot -123:sc= -4.96! USER MOD Set 2.2: A 68 SER OG : rot -5:sc= -6.65! USER MOD Set 3.1: A 4 THR OG1 : rot -105:sc= 1.18 USER MOD Set 3.2: A 46 THR OG1 : rot -160:sc= -3.16! USER MOD Set 4.1: A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.2: A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 GLN : amide:sc= -0.328 K(o=-0.33,f=-2.8!) USER MOD Single : A 6 THR OG1 : rot 180:sc= -0.197 USER MOD Single : A 12 MET CE :methyl 160:sc= -0.947 (180deg=-1.28) USER MOD Single : A 13 THR OG1 : rot 4:sc= 0.57 USER MOD Single : A 22 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.196) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot -153:sc= -1.45 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 101:sc= -2.91! USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 37:sc= 0.00359 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= 0 K(o=0,f=-0.97!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 18.276 2.642 1.047 1.00 0.00 N ATOM 2 CA ALA A 1 16.980 2.209 0.447 1.00 0.00 C ATOM 3 C ALA A 1 15.906 2.108 1.532 1.00 0.00 C ATOM 4 O ALA A 1 15.635 1.048 2.049 1.00 0.00 O ATOM 5 CB ALA A 1 17.260 0.835 -0.161 1.00 0.00 C ATOM 0 H1 ALA A 1 18.999 2.708 0.302 1.00 0.00 H new ATOM 0 H2 ALA A 1 18.157 3.572 1.497 1.00 0.00 H new ATOM 0 H3 ALA A 1 18.577 1.948 1.761 1.00 0.00 H new ATOM 0 HA ALA A 1 16.614 2.915 -0.299 1.00 0.00 H new ATOM 0 HB1 ALA A 1 16.351 0.449 -0.623 1.00 0.00 H new ATOM 0 HB2 ALA A 1 18.041 0.924 -0.916 1.00 0.00 H new ATOM 0 HB3 ALA A 1 17.588 0.151 0.622 1.00 0.00 H new ATOM 13 N THR A 2 15.293 3.210 1.864 1.00 0.00 N ATOM 14 CA THR A 2 14.234 3.230 2.895 1.00 0.00 C ATOM 15 C THR A 2 13.252 4.328 2.510 1.00 0.00 C ATOM 16 O THR A 2 13.397 5.471 2.896 1.00 0.00 O ATOM 17 CB THR A 2 14.946 3.589 4.191 1.00 0.00 C ATOM 18 OG1 THR A 2 16.245 4.090 3.902 1.00 0.00 O ATOM 19 CG2 THR A 2 15.058 2.351 5.076 1.00 0.00 C ATOM 0 H THR A 2 15.493 4.120 1.448 1.00 0.00 H new ATOM 0 HA THR A 2 13.695 2.288 2.994 1.00 0.00 H new ATOM 0 HB THR A 2 14.374 4.355 4.715 1.00 0.00 H new ATOM 0 HG1 THR A 2 16.700 4.322 4.739 1.00 0.00 H new ATOM 0 HG21 THR A 2 15.568 2.612 6.003 1.00 0.00 H new ATOM 0 HG22 THR A 2 14.061 1.975 5.304 1.00 0.00 H new ATOM 0 HG23 THR A 2 15.625 1.581 4.554 1.00 0.00 H new ATOM 27 N GLN A 3 12.289 4.006 1.709 1.00 0.00 N ATOM 28 CA GLN A 3 11.335 5.059 1.251 1.00 0.00 C ATOM 29 C GLN A 3 9.947 4.879 1.863 1.00 0.00 C ATOM 30 O GLN A 3 9.558 3.801 2.263 1.00 0.00 O ATOM 31 CB GLN A 3 11.265 4.900 -0.271 1.00 0.00 C ATOM 32 CG GLN A 3 12.658 4.598 -0.834 1.00 0.00 C ATOM 33 CD GLN A 3 13.587 5.785 -0.573 1.00 0.00 C ATOM 34 OE1 GLN A 3 13.143 6.845 -0.177 1.00 0.00 O ATOM 35 NE2 GLN A 3 14.868 5.651 -0.781 1.00 0.00 N ATOM 0 H GLN A 3 12.114 3.068 1.348 1.00 0.00 H new ATOM 0 HA GLN A 3 11.672 6.050 1.557 1.00 0.00 H new ATOM 0 HB2 GLN A 3 10.578 4.094 -0.529 1.00 0.00 H new ATOM 0 HB3 GLN A 3 10.872 5.811 -0.722 1.00 0.00 H new ATOM 0 HG2 GLN A 3 13.062 3.699 -0.369 1.00 0.00 H new ATOM 0 HG3 GLN A 3 12.594 4.402 -1.904 1.00 0.00 H new ATOM 0 HE21 GLN A 3 15.240 4.761 -1.113 1.00 0.00 H new ATOM 0 HE22 GLN A 3 15.497 6.436 -0.611 1.00 0.00 H new ATOM 44 N THR A 4 9.197 5.945 1.916 1.00 0.00 N ATOM 45 CA THR A 4 7.820 5.881 2.477 1.00 0.00 C ATOM 46 C THR A 4 6.872 6.662 1.564 1.00 0.00 C ATOM 47 O THR A 4 6.993 7.860 1.409 1.00 0.00 O ATOM 48 CB THR A 4 7.917 6.549 3.850 1.00 0.00 C ATOM 49 OG1 THR A 4 9.033 6.023 4.556 1.00 0.00 O ATOM 50 CG2 THR A 4 6.635 6.284 4.641 1.00 0.00 C ATOM 0 H THR A 4 9.484 6.868 1.590 1.00 0.00 H new ATOM 0 HA THR A 4 7.440 4.862 2.555 1.00 0.00 H new ATOM 0 HB THR A 4 8.045 7.624 3.722 1.00 0.00 H new ATOM 0 HG1 THR A 4 8.720 5.407 5.251 1.00 0.00 H new ATOM 0 HG21 THR A 4 6.706 6.760 5.619 1.00 0.00 H new ATOM 0 HG22 THR A 4 5.782 6.693 4.099 1.00 0.00 H new ATOM 0 HG23 THR A 4 6.502 5.210 4.770 1.00 0.00 H new ATOM 58 N VAL A 5 5.938 5.994 0.952 1.00 0.00 N ATOM 59 CA VAL A 5 4.993 6.700 0.042 1.00 0.00 C ATOM 60 C VAL A 5 3.563 6.491 0.512 1.00 0.00 C ATOM 61 O VAL A 5 3.284 5.655 1.343 1.00 0.00 O ATOM 62 CB VAL A 5 5.203 6.048 -1.325 1.00 0.00 C ATOM 63 CG1 VAL A 5 6.691 6.068 -1.677 1.00 0.00 C ATOM 64 CG2 VAL A 5 4.710 4.601 -1.280 1.00 0.00 C ATOM 0 H VAL A 5 5.787 4.989 1.041 1.00 0.00 H new ATOM 0 HA VAL A 5 5.168 7.775 0.015 1.00 0.00 H new ATOM 0 HB VAL A 5 4.644 6.600 -2.080 1.00 0.00 H new ATOM 0 HG11 VAL A 5 6.841 5.603 -2.651 1.00 0.00 H new ATOM 0 HG12 VAL A 5 7.044 7.099 -1.709 1.00 0.00 H new ATOM 0 HG13 VAL A 5 7.251 5.516 -0.922 1.00 0.00 H new ATOM 0 HG21 VAL A 5 4.859 4.135 -2.254 1.00 0.00 H new ATOM 0 HG22 VAL A 5 5.269 4.049 -0.525 1.00 0.00 H new ATOM 0 HG23 VAL A 5 3.649 4.586 -1.029 1.00 0.00 H new ATOM 74 N THR A 6 2.653 7.232 -0.032 1.00 0.00 N ATOM 75 CA THR A 6 1.234 7.069 0.355 1.00 0.00 C ATOM 76 C THR A 6 0.515 6.407 -0.811 1.00 0.00 C ATOM 77 O THR A 6 0.992 6.430 -1.928 1.00 0.00 O ATOM 78 CB THR A 6 0.712 8.486 0.597 1.00 0.00 C ATOM 79 OG1 THR A 6 -0.599 8.418 1.139 1.00 0.00 O ATOM 80 CG2 THR A 6 0.683 9.255 -0.723 1.00 0.00 C ATOM 0 H THR A 6 2.831 7.950 -0.734 1.00 0.00 H new ATOM 0 HA THR A 6 1.086 6.455 1.243 1.00 0.00 H new ATOM 0 HB THR A 6 1.369 9.001 1.298 1.00 0.00 H new ATOM 0 HG1 THR A 6 -0.935 9.325 1.297 1.00 0.00 H new ATOM 0 HG21 THR A 6 0.311 10.264 -0.548 1.00 0.00 H new ATOM 0 HG22 THR A 6 1.690 9.306 -1.136 1.00 0.00 H new ATOM 0 HG23 THR A 6 0.027 8.744 -1.428 1.00 0.00 H new ATOM 88 N LEU A 7 -0.603 5.794 -0.580 1.00 0.00 N ATOM 89 CA LEU A 7 -1.287 5.119 -1.712 1.00 0.00 C ATOM 90 C LEU A 7 -2.767 5.480 -1.760 1.00 0.00 C ATOM 91 O LEU A 7 -3.384 5.777 -0.761 1.00 0.00 O ATOM 92 CB LEU A 7 -1.102 3.621 -1.450 1.00 0.00 C ATOM 93 CG LEU A 7 -0.116 3.048 -2.466 1.00 0.00 C ATOM 94 CD1 LEU A 7 1.119 3.933 -2.534 1.00 0.00 C ATOM 95 CD2 LEU A 7 0.308 1.637 -2.052 1.00 0.00 C ATOM 0 H LEU A 7 -1.069 5.729 0.325 1.00 0.00 H new ATOM 0 HA LEU A 7 -0.872 5.424 -2.673 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -0.733 3.460 -0.437 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -2.060 3.106 -1.525 1.00 0.00 H new ATOM 0 HG LEU A 7 -0.601 3.010 -3.441 1.00 0.00 H new ATOM 0 HD11 LEU A 7 1.821 3.522 -3.259 1.00 0.00 H new ATOM 0 HD12 LEU A 7 0.830 4.939 -2.838 1.00 0.00 H new ATOM 0 HD13 LEU A 7 1.593 3.973 -1.553 1.00 0.00 H new ATOM 0 HD21 LEU A 7 1.011 1.239 -2.784 1.00 0.00 H new ATOM 0 HD22 LEU A 7 0.785 1.673 -1.073 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -0.570 0.993 -2.004 1.00 0.00 H new ATOM 107 N ALA A 8 -3.331 5.444 -2.930 1.00 0.00 N ATOM 108 CA ALA A 8 -4.779 5.770 -3.087 1.00 0.00 C ATOM 109 C ALA A 8 -5.497 4.586 -3.737 1.00 0.00 C ATOM 110 O ALA A 8 -5.341 4.326 -4.911 1.00 0.00 O ATOM 111 CB ALA A 8 -4.813 6.992 -4.003 1.00 0.00 C ATOM 0 H ALA A 8 -2.849 5.201 -3.796 1.00 0.00 H new ATOM 0 HA ALA A 8 -5.274 5.969 -2.136 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -5.847 7.295 -4.168 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -4.265 7.811 -3.537 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -4.351 6.743 -4.959 1.00 0.00 H new ATOM 117 N VAL A 9 -6.264 3.849 -2.981 1.00 0.00 N ATOM 118 CA VAL A 9 -6.958 2.661 -3.567 1.00 0.00 C ATOM 119 C VAL A 9 -8.483 2.856 -3.623 1.00 0.00 C ATOM 120 O VAL A 9 -9.187 2.478 -2.708 1.00 0.00 O ATOM 121 CB VAL A 9 -6.603 1.513 -2.627 1.00 0.00 C ATOM 122 CG1 VAL A 9 -7.131 1.815 -1.224 1.00 0.00 C ATOM 123 CG2 VAL A 9 -7.238 0.223 -3.141 1.00 0.00 C ATOM 0 H VAL A 9 -6.441 4.014 -1.990 1.00 0.00 H new ATOM 0 HA VAL A 9 -6.646 2.482 -4.596 1.00 0.00 H new ATOM 0 HB VAL A 9 -5.520 1.398 -2.589 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -6.876 0.993 -0.555 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -6.680 2.736 -0.856 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -8.214 1.931 -1.260 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -6.986 -0.599 -2.471 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -8.321 0.341 -3.179 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -6.861 0.005 -4.140 1.00 0.00 H new ATOM 133 N PRO A 10 -8.948 3.428 -4.708 1.00 0.00 N ATOM 134 CA PRO A 10 -10.401 3.664 -4.890 1.00 0.00 C ATOM 135 C PRO A 10 -11.164 2.342 -5.071 1.00 0.00 C ATOM 136 O PRO A 10 -12.370 2.333 -5.216 1.00 0.00 O ATOM 137 CB PRO A 10 -10.444 4.491 -6.177 1.00 0.00 C ATOM 138 CG PRO A 10 -9.025 4.551 -6.774 1.00 0.00 C ATOM 139 CD PRO A 10 -8.053 3.873 -5.801 1.00 0.00 C ATOM 0 HA PRO A 10 -10.867 4.154 -4.035 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -11.135 4.043 -6.891 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -10.809 5.497 -5.968 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -9.001 4.051 -7.742 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -8.730 5.587 -6.943 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -7.533 3.035 -6.266 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -7.289 4.564 -5.444 1.00 0.00 H new ATOM 147 N GLY A 11 -10.481 1.227 -5.069 1.00 0.00 N ATOM 148 CA GLY A 11 -11.188 -0.076 -5.247 1.00 0.00 C ATOM 149 C GLY A 11 -11.759 -0.546 -3.907 1.00 0.00 C ATOM 150 O GLY A 11 -12.173 -1.679 -3.761 1.00 0.00 O ATOM 0 H GLY A 11 -9.470 1.162 -4.952 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -11.991 0.033 -5.976 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -10.499 -0.823 -5.641 1.00 0.00 H new ATOM 154 N MET A 12 -11.783 0.316 -2.929 1.00 0.00 N ATOM 155 CA MET A 12 -12.321 -0.071 -1.597 1.00 0.00 C ATOM 156 C MET A 12 -13.689 0.583 -1.364 1.00 0.00 C ATOM 157 O MET A 12 -14.311 1.075 -2.284 1.00 0.00 O ATOM 158 CB MET A 12 -11.301 0.461 -0.593 1.00 0.00 C ATOM 159 CG MET A 12 -11.277 1.991 -0.651 1.00 0.00 C ATOM 160 SD MET A 12 -12.377 2.669 0.618 1.00 0.00 S ATOM 161 CE MET A 12 -13.288 3.807 -0.455 1.00 0.00 C ATOM 0 H MET A 12 -11.451 1.278 -2.997 1.00 0.00 H new ATOM 0 HA MET A 12 -12.464 -1.148 -1.508 1.00 0.00 H new ATOM 0 HB2 MET A 12 -11.558 0.129 0.413 1.00 0.00 H new ATOM 0 HB3 MET A 12 -10.312 0.062 -0.818 1.00 0.00 H new ATOM 0 HG2 MET A 12 -10.261 2.354 -0.497 1.00 0.00 H new ATOM 0 HG3 MET A 12 -11.591 2.332 -1.638 1.00 0.00 H new ATOM 0 HE1 MET A 12 -14.235 4.071 0.015 1.00 0.00 H new ATOM 0 HE2 MET A 12 -12.698 4.710 -0.613 1.00 0.00 H new ATOM 0 HE3 MET A 12 -13.480 3.327 -1.414 1.00 0.00 H new ATOM 171 N THR A 13 -14.159 0.605 -0.138 1.00 0.00 N ATOM 172 CA THR A 13 -15.488 1.249 0.125 1.00 0.00 C ATOM 173 C THR A 13 -15.925 1.200 1.612 1.00 0.00 C ATOM 174 O THR A 13 -16.941 1.770 1.961 1.00 0.00 O ATOM 175 CB THR A 13 -16.473 0.466 -0.743 1.00 0.00 C ATOM 176 OG1 THR A 13 -17.803 0.817 -0.384 1.00 0.00 O ATOM 177 CG2 THR A 13 -16.264 -1.032 -0.531 1.00 0.00 C ATOM 0 H THR A 13 -13.690 0.213 0.679 1.00 0.00 H new ATOM 0 HA THR A 13 -15.444 2.312 -0.111 1.00 0.00 H new ATOM 0 HB THR A 13 -16.304 0.709 -1.792 1.00 0.00 H new ATOM 0 HG1 THR A 13 -17.783 1.524 0.294 1.00 0.00 H new ATOM 0 HG21 THR A 13 -16.967 -1.589 -1.151 1.00 0.00 H new ATOM 0 HG22 THR A 13 -15.245 -1.300 -0.809 1.00 0.00 H new ATOM 0 HG23 THR A 13 -16.431 -1.278 0.518 1.00 0.00 H new ATOM 185 N CYS A 14 -15.202 0.552 2.501 1.00 0.00 N ATOM 186 CA CYS A 14 -15.650 0.533 3.931 1.00 0.00 C ATOM 187 C CYS A 14 -14.575 -0.103 4.815 1.00 0.00 C ATOM 188 O CYS A 14 -13.423 -0.171 4.451 1.00 0.00 O ATOM 189 CB CYS A 14 -16.935 -0.310 3.947 1.00 0.00 C ATOM 190 SG CYS A 14 -16.526 -2.073 3.817 1.00 0.00 S ATOM 0 H CYS A 14 -14.339 0.046 2.302 1.00 0.00 H new ATOM 0 HA CYS A 14 -15.825 1.537 4.317 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -17.490 -0.124 4.867 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -17.582 -0.017 3.120 1.00 0.00 H new ATOM 195 N ALA A 15 -14.945 -0.579 5.969 1.00 0.00 N ATOM 196 CA ALA A 15 -13.939 -1.222 6.860 1.00 0.00 C ATOM 197 C ALA A 15 -13.790 -2.693 6.471 1.00 0.00 C ATOM 198 O ALA A 15 -14.084 -3.584 7.243 1.00 0.00 O ATOM 199 CB ALA A 15 -14.514 -1.091 8.271 1.00 0.00 C ATOM 0 H ALA A 15 -15.897 -0.552 6.334 1.00 0.00 H new ATOM 0 HA ALA A 15 -12.953 -0.762 6.788 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -13.828 -1.543 8.987 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -14.648 -0.037 8.513 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -15.477 -1.600 8.320 1.00 0.00 H new ATOM 205 N ALA A 16 -13.348 -2.954 5.269 1.00 0.00 N ATOM 206 CA ALA A 16 -13.197 -4.366 4.824 1.00 0.00 C ATOM 207 C ALA A 16 -12.279 -4.470 3.596 1.00 0.00 C ATOM 208 O ALA A 16 -11.471 -5.370 3.505 1.00 0.00 O ATOM 209 CB ALA A 16 -14.613 -4.815 4.467 1.00 0.00 C ATOM 0 H ALA A 16 -13.086 -2.250 4.579 1.00 0.00 H new ATOM 0 HA ALA A 16 -12.743 -4.985 5.598 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -14.592 -5.851 4.127 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -15.253 -4.734 5.346 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -15.006 -4.181 3.673 1.00 0.00 H new ATOM 215 N CYS A 17 -12.407 -3.585 2.634 1.00 0.00 N ATOM 216 CA CYS A 17 -11.536 -3.703 1.419 1.00 0.00 C ATOM 217 C CYS A 17 -10.427 -2.624 1.316 1.00 0.00 C ATOM 218 O CYS A 17 -9.418 -2.898 0.698 1.00 0.00 O ATOM 219 CB CYS A 17 -12.473 -3.683 0.195 1.00 0.00 C ATOM 220 SG CYS A 17 -13.607 -2.273 0.227 1.00 0.00 S ATOM 0 H CYS A 17 -13.061 -2.803 2.635 1.00 0.00 H new ATOM 0 HA CYS A 17 -10.975 -4.636 1.478 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -11.877 -3.647 -0.717 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -13.047 -4.609 0.164 1.00 0.00 H new ATOM 225 N PRO A 18 -10.572 -1.453 1.916 1.00 0.00 N ATOM 226 CA PRO A 18 -9.479 -0.463 1.831 1.00 0.00 C ATOM 227 C PRO A 18 -8.418 -0.895 2.830 1.00 0.00 C ATOM 228 O PRO A 18 -7.233 -0.813 2.592 1.00 0.00 O ATOM 229 CB PRO A 18 -10.159 0.829 2.265 1.00 0.00 C ATOM 230 CG PRO A 18 -11.485 0.455 2.946 1.00 0.00 C ATOM 231 CD PRO A 18 -11.760 -1.039 2.694 1.00 0.00 C ATOM 0 HA PRO A 18 -9.003 -0.359 0.856 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -9.520 1.385 2.951 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -10.340 1.473 1.405 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -11.431 0.655 4.016 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -12.299 1.062 2.549 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -11.851 -1.598 3.625 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -12.684 -1.194 2.138 1.00 0.00 H new ATOM 239 N ILE A 19 -8.869 -1.389 3.949 1.00 0.00 N ATOM 240 CA ILE A 19 -7.933 -1.888 4.991 1.00 0.00 C ATOM 241 C ILE A 19 -7.154 -3.089 4.435 1.00 0.00 C ATOM 242 O ILE A 19 -6.015 -3.335 4.795 1.00 0.00 O ATOM 243 CB ILE A 19 -8.843 -2.332 6.136 1.00 0.00 C ATOM 244 CG1 ILE A 19 -9.469 -1.106 6.801 1.00 0.00 C ATOM 245 CG2 ILE A 19 -8.030 -3.109 7.168 1.00 0.00 C ATOM 246 CD1 ILE A 19 -10.648 -1.546 7.671 1.00 0.00 C ATOM 0 H ILE A 19 -9.858 -1.469 4.187 1.00 0.00 H new ATOM 0 HA ILE A 19 -7.206 -1.141 5.309 1.00 0.00 H new ATOM 0 HB ILE A 19 -9.631 -2.972 5.739 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -8.726 -0.590 7.410 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -9.806 -0.400 6.042 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -8.682 -3.424 7.983 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -7.588 -3.987 6.697 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -7.238 -2.472 7.562 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -11.095 -0.673 8.146 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -11.393 -2.043 7.050 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -10.297 -2.236 8.438 1.00 0.00 H new ATOM 258 N THR A 20 -7.761 -3.830 3.540 1.00 0.00 N ATOM 259 CA THR A 20 -7.064 -5.000 2.945 1.00 0.00 C ATOM 260 C THR A 20 -5.891 -4.493 2.123 1.00 0.00 C ATOM 261 O THR A 20 -4.939 -5.203 1.859 1.00 0.00 O ATOM 262 CB THR A 20 -8.102 -5.683 2.051 1.00 0.00 C ATOM 263 OG1 THR A 20 -9.325 -5.802 2.760 1.00 0.00 O ATOM 264 CG2 THR A 20 -7.600 -7.075 1.667 1.00 0.00 C ATOM 0 H THR A 20 -8.709 -3.671 3.199 1.00 0.00 H new ATOM 0 HA THR A 20 -6.678 -5.695 3.691 1.00 0.00 H new ATOM 0 HB THR A 20 -8.258 -5.090 1.150 1.00 0.00 H new ATOM 0 HG1 THR A 20 -9.872 -6.506 2.353 1.00 0.00 H new ATOM 0 HG21 THR A 20 -8.337 -7.565 1.030 1.00 0.00 H new ATOM 0 HG22 THR A 20 -6.657 -6.986 1.128 1.00 0.00 H new ATOM 0 HG23 THR A 20 -7.448 -7.669 2.569 1.00 0.00 H new ATOM 272 N VAL A 21 -5.944 -3.250 1.742 1.00 0.00 N ATOM 273 CA VAL A 21 -4.831 -2.669 0.970 1.00 0.00 C ATOM 274 C VAL A 21 -3.638 -2.552 1.903 1.00 0.00 C ATOM 275 O VAL A 21 -2.497 -2.717 1.509 1.00 0.00 O ATOM 276 CB VAL A 21 -5.315 -1.285 0.534 1.00 0.00 C ATOM 277 CG1 VAL A 21 -4.230 -0.597 -0.296 1.00 0.00 C ATOM 278 CG2 VAL A 21 -6.586 -1.429 -0.305 1.00 0.00 C ATOM 0 H VAL A 21 -6.717 -2.614 1.936 1.00 0.00 H new ATOM 0 HA VAL A 21 -4.541 -3.265 0.105 1.00 0.00 H new ATOM 0 HB VAL A 21 -5.529 -0.683 1.417 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -4.578 0.389 -0.605 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -3.326 -0.491 0.303 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.012 -1.198 -1.179 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -6.931 -0.443 -0.616 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -6.373 -2.033 -1.187 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -7.361 -1.914 0.289 1.00 0.00 H new ATOM 288 N LYS A 22 -3.908 -2.299 3.158 1.00 0.00 N ATOM 289 CA LYS A 22 -2.806 -2.196 4.138 1.00 0.00 C ATOM 290 C LYS A 22 -2.188 -3.570 4.303 1.00 0.00 C ATOM 291 O LYS A 22 -0.990 -3.721 4.436 1.00 0.00 O ATOM 292 CB LYS A 22 -3.448 -1.735 5.446 1.00 0.00 C ATOM 293 CG LYS A 22 -2.341 -1.407 6.449 1.00 0.00 C ATOM 294 CD LYS A 22 -2.634 -2.086 7.787 1.00 0.00 C ATOM 295 CE LYS A 22 -1.754 -3.328 7.933 1.00 0.00 C ATOM 296 NZ LYS A 22 -2.660 -4.474 7.644 1.00 0.00 N ATOM 0 H LYS A 22 -4.844 -2.161 3.538 1.00 0.00 H new ATOM 0 HA LYS A 22 -2.026 -1.501 3.827 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -4.072 -0.858 5.272 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -4.098 -2.515 5.843 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -1.378 -1.743 6.064 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -2.271 -0.328 6.586 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -2.444 -1.394 8.607 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -3.686 -2.364 7.843 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -0.915 -3.302 7.237 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -1.334 -3.399 8.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -2.094 -5.330 7.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -3.290 -4.632 8.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -3.230 -4.262 6.800 1.00 0.00 H new ATOM 310 N LYS A 23 -3.008 -4.580 4.279 1.00 0.00 N ATOM 311 CA LYS A 23 -2.474 -5.954 4.415 1.00 0.00 C ATOM 312 C LYS A 23 -1.549 -6.249 3.238 1.00 0.00 C ATOM 313 O LYS A 23 -0.579 -6.973 3.349 1.00 0.00 O ATOM 314 CB LYS A 23 -3.701 -6.866 4.394 1.00 0.00 C ATOM 315 CG LYS A 23 -3.363 -8.195 5.069 1.00 0.00 C ATOM 316 CD LYS A 23 -2.554 -9.064 4.104 1.00 0.00 C ATOM 317 CE LYS A 23 -2.670 -10.530 4.524 1.00 0.00 C ATOM 318 NZ LYS A 23 -2.976 -11.265 3.266 1.00 0.00 N ATOM 0 H LYS A 23 -4.020 -4.511 4.171 1.00 0.00 H new ATOM 0 HA LYS A 23 -1.895 -6.098 5.327 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -4.533 -6.386 4.910 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -4.020 -7.039 3.366 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -2.793 -8.018 5.981 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -4.278 -8.711 5.360 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -2.921 -8.935 3.086 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -1.509 -8.755 4.107 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -1.744 -10.886 4.975 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -3.458 -10.668 5.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -3.071 -12.280 3.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -3.866 -10.909 2.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -2.205 -11.120 2.583 1.00 0.00 H new ATOM 332 N ALA A 24 -1.850 -5.678 2.112 1.00 0.00 N ATOM 333 CA ALA A 24 -1.013 -5.893 0.905 1.00 0.00 C ATOM 334 C ALA A 24 0.404 -5.360 1.132 1.00 0.00 C ATOM 335 O ALA A 24 1.375 -6.078 0.997 1.00 0.00 O ATOM 336 CB ALA A 24 -1.709 -5.106 -0.205 1.00 0.00 C ATOM 0 H ALA A 24 -2.652 -5.063 1.974 1.00 0.00 H new ATOM 0 HA ALA A 24 -0.915 -6.950 0.658 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -1.149 -5.215 -1.134 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.720 -5.489 -0.344 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -1.755 -4.052 0.070 1.00 0.00 H new ATOM 342 N LEU A 25 0.536 -4.105 1.476 1.00 0.00 N ATOM 343 CA LEU A 25 1.905 -3.544 1.705 1.00 0.00 C ATOM 344 C LEU A 25 2.559 -4.228 2.905 1.00 0.00 C ATOM 345 O LEU A 25 3.766 -4.274 3.029 1.00 0.00 O ATOM 346 CB LEU A 25 1.709 -2.057 2.002 1.00 0.00 C ATOM 347 CG LEU A 25 0.667 -1.467 1.057 1.00 0.00 C ATOM 348 CD1 LEU A 25 -0.577 -1.103 1.863 1.00 0.00 C ATOM 349 CD2 LEU A 25 1.232 -0.209 0.392 1.00 0.00 C ATOM 0 H LEU A 25 -0.234 -3.449 1.608 1.00 0.00 H new ATOM 0 HA LEU A 25 2.549 -3.701 0.840 1.00 0.00 H new ATOM 0 HB2 LEU A 25 1.391 -1.924 3.036 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.655 -1.528 1.889 1.00 0.00 H new ATOM 0 HG LEU A 25 0.411 -2.194 0.287 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.330 -0.680 1.198 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.976 -1.998 2.340 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.314 -0.371 2.627 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.487 0.212 -0.283 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.484 0.525 1.157 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.128 -0.467 -0.172 1.00 0.00 H new ATOM 361 N SER A 26 1.768 -4.761 3.791 1.00 0.00 N ATOM 362 CA SER A 26 2.338 -5.442 4.983 1.00 0.00 C ATOM 363 C SER A 26 2.864 -6.813 4.578 1.00 0.00 C ATOM 364 O SER A 26 3.696 -7.395 5.245 1.00 0.00 O ATOM 365 CB SER A 26 1.172 -5.579 5.962 1.00 0.00 C ATOM 366 OG SER A 26 1.116 -4.425 6.790 1.00 0.00 O ATOM 0 H SER A 26 0.749 -4.754 3.741 1.00 0.00 H new ATOM 0 HA SER A 26 3.168 -4.891 5.426 1.00 0.00 H new ATOM 0 HB2 SER A 26 0.236 -5.695 5.416 1.00 0.00 H new ATOM 0 HB3 SER A 26 1.298 -6.473 6.573 1.00 0.00 H new ATOM 0 HG SER A 26 0.702 -4.657 7.647 1.00 0.00 H new ATOM 372 N LYS A 27 2.382 -7.334 3.485 1.00 0.00 N ATOM 373 CA LYS A 27 2.852 -8.662 3.034 1.00 0.00 C ATOM 374 C LYS A 27 3.673 -8.516 1.746 1.00 0.00 C ATOM 375 O LYS A 27 4.154 -9.483 1.192 1.00 0.00 O ATOM 376 CB LYS A 27 1.559 -9.464 2.818 1.00 0.00 C ATOM 377 CG LYS A 27 1.706 -10.426 1.637 1.00 0.00 C ATOM 378 CD LYS A 27 1.517 -9.653 0.331 1.00 0.00 C ATOM 379 CE LYS A 27 0.186 -10.054 -0.309 1.00 0.00 C ATOM 380 NZ LYS A 27 0.559 -10.854 -1.509 1.00 0.00 N ATOM 0 H LYS A 27 1.683 -6.893 2.888 1.00 0.00 H new ATOM 0 HA LYS A 27 3.510 -9.159 3.746 1.00 0.00 H new ATOM 0 HB2 LYS A 27 1.318 -10.024 3.721 1.00 0.00 H new ATOM 0 HB3 LYS A 27 0.729 -8.782 2.636 1.00 0.00 H new ATOM 0 HG2 LYS A 27 2.689 -10.896 1.656 1.00 0.00 H new ATOM 0 HG3 LYS A 27 0.969 -11.226 1.710 1.00 0.00 H new ATOM 0 HD2 LYS A 27 1.531 -8.581 0.525 1.00 0.00 H new ATOM 0 HD3 LYS A 27 2.340 -9.864 -0.352 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -0.423 -10.638 0.381 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -0.399 -9.177 -0.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -0.303 -11.165 -2.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 1.132 -10.270 -2.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 1.109 -11.686 -1.214 1.00 0.00 H new ATOM 394 N VAL A 28 3.848 -7.312 1.273 1.00 0.00 N ATOM 395 CA VAL A 28 4.649 -7.118 0.033 1.00 0.00 C ATOM 396 C VAL A 28 5.945 -7.931 0.131 1.00 0.00 C ATOM 397 O VAL A 28 6.022 -9.047 -0.343 1.00 0.00 O ATOM 398 CB VAL A 28 4.932 -5.610 -0.021 1.00 0.00 C ATOM 399 CG1 VAL A 28 6.221 -5.336 -0.805 1.00 0.00 C ATOM 400 CG2 VAL A 28 3.767 -4.905 -0.717 1.00 0.00 C ATOM 0 H VAL A 28 3.473 -6.460 1.689 1.00 0.00 H new ATOM 0 HA VAL A 28 4.135 -7.454 -0.868 1.00 0.00 H new ATOM 0 HB VAL A 28 5.047 -5.236 0.996 1.00 0.00 H new ATOM 0 HG11 VAL A 28 6.408 -4.263 -0.834 1.00 0.00 H new ATOM 0 HG12 VAL A 28 7.057 -5.837 -0.317 1.00 0.00 H new ATOM 0 HG13 VAL A 28 6.116 -5.714 -1.822 1.00 0.00 H new ATOM 0 HG21 VAL A 28 3.962 -3.833 -0.758 1.00 0.00 H new ATOM 0 HG22 VAL A 28 3.659 -5.293 -1.730 1.00 0.00 H new ATOM 0 HG23 VAL A 28 2.848 -5.085 -0.160 1.00 0.00 H new ATOM 410 N GLU A 29 6.957 -7.383 0.754 1.00 0.00 N ATOM 411 CA GLU A 29 8.247 -8.128 0.891 1.00 0.00 C ATOM 412 C GLU A 29 9.286 -7.285 1.642 1.00 0.00 C ATOM 413 O GLU A 29 10.022 -7.786 2.470 1.00 0.00 O ATOM 414 CB GLU A 29 8.720 -8.395 -0.544 1.00 0.00 C ATOM 415 CG GLU A 29 9.301 -7.113 -1.149 1.00 0.00 C ATOM 416 CD GLU A 29 9.776 -7.391 -2.578 1.00 0.00 C ATOM 417 OE1 GLU A 29 8.930 -7.511 -3.449 1.00 0.00 O ATOM 418 OE2 GLU A 29 10.977 -7.477 -2.776 1.00 0.00 O ATOM 0 H GLU A 29 6.947 -6.453 1.173 1.00 0.00 H new ATOM 0 HA GLU A 29 8.117 -9.050 1.458 1.00 0.00 H new ATOM 0 HB2 GLU A 29 9.473 -9.183 -0.547 1.00 0.00 H new ATOM 0 HB3 GLU A 29 7.887 -8.749 -1.151 1.00 0.00 H new ATOM 0 HG2 GLU A 29 8.547 -6.326 -1.152 1.00 0.00 H new ATOM 0 HG3 GLU A 29 10.132 -6.756 -0.541 1.00 0.00 H new ATOM 425 N GLY A 30 9.364 -6.014 1.353 1.00 0.00 N ATOM 426 CA GLY A 30 10.368 -5.156 2.045 1.00 0.00 C ATOM 427 C GLY A 30 9.662 -4.149 2.950 1.00 0.00 C ATOM 428 O GLY A 30 10.281 -3.478 3.752 1.00 0.00 O ATOM 0 H GLY A 30 8.778 -5.534 0.670 1.00 0.00 H new ATOM 0 HA2 GLY A 30 11.043 -5.776 2.635 1.00 0.00 H new ATOM 0 HA3 GLY A 30 10.978 -4.631 1.310 1.00 0.00 H new ATOM 432 N VAL A 31 8.371 -4.041 2.835 1.00 0.00 N ATOM 433 CA VAL A 31 7.626 -3.081 3.696 1.00 0.00 C ATOM 434 C VAL A 31 8.013 -3.281 5.157 1.00 0.00 C ATOM 435 O VAL A 31 7.918 -4.364 5.700 1.00 0.00 O ATOM 436 CB VAL A 31 6.148 -3.404 3.465 1.00 0.00 C ATOM 437 CG1 VAL A 31 5.309 -2.853 4.622 1.00 0.00 C ATOM 438 CG2 VAL A 31 5.692 -2.756 2.155 1.00 0.00 C ATOM 0 H VAL A 31 7.797 -4.575 2.182 1.00 0.00 H new ATOM 0 HA VAL A 31 7.849 -2.042 3.455 1.00 0.00 H new ATOM 0 HB VAL A 31 6.017 -4.485 3.410 1.00 0.00 H new ATOM 0 HG11 VAL A 31 4.258 -3.086 4.452 1.00 0.00 H new ATOM 0 HG12 VAL A 31 5.635 -3.308 5.557 1.00 0.00 H new ATOM 0 HG13 VAL A 31 5.436 -1.772 4.681 1.00 0.00 H new ATOM 0 HG21 VAL A 31 4.640 -2.982 1.984 1.00 0.00 H new ATOM 0 HG22 VAL A 31 5.826 -1.676 2.218 1.00 0.00 H new ATOM 0 HG23 VAL A 31 6.286 -3.148 1.329 1.00 0.00 H new ATOM 448 N SER A 32 8.445 -2.233 5.791 1.00 0.00 N ATOM 449 CA SER A 32 8.843 -2.334 7.223 1.00 0.00 C ATOM 450 C SER A 32 7.813 -1.617 8.089 1.00 0.00 C ATOM 451 O SER A 32 7.786 -1.758 9.295 1.00 0.00 O ATOM 452 CB SER A 32 10.202 -1.642 7.312 1.00 0.00 C ATOM 453 OG SER A 32 11.050 -2.385 8.178 1.00 0.00 O ATOM 0 H SER A 32 8.541 -1.305 5.380 1.00 0.00 H new ATOM 0 HA SER A 32 8.898 -3.365 7.572 1.00 0.00 H new ATOM 0 HB2 SER A 32 10.650 -1.567 6.321 1.00 0.00 H new ATOM 0 HB3 SER A 32 10.082 -0.625 7.686 1.00 0.00 H new ATOM 0 HG SER A 32 11.924 -1.945 8.237 1.00 0.00 H new ATOM 459 N LYS A 33 6.957 -0.856 7.473 1.00 0.00 N ATOM 460 CA LYS A 33 5.908 -0.130 8.246 1.00 0.00 C ATOM 461 C LYS A 33 4.716 0.151 7.326 1.00 0.00 C ATOM 462 O LYS A 33 4.837 0.109 6.118 1.00 0.00 O ATOM 463 CB LYS A 33 6.598 1.161 8.725 1.00 0.00 C ATOM 464 CG LYS A 33 5.656 2.368 8.611 1.00 0.00 C ATOM 465 CD LYS A 33 6.446 3.654 8.855 1.00 0.00 C ATOM 466 CE LYS A 33 5.928 4.340 10.120 1.00 0.00 C ATOM 467 NZ LYS A 33 5.328 5.618 9.643 1.00 0.00 N ATOM 0 H LYS A 33 6.936 -0.703 6.465 1.00 0.00 H new ATOM 0 HA LYS A 33 5.516 -0.692 9.094 1.00 0.00 H new ATOM 0 HB2 LYS A 33 6.919 1.043 9.760 1.00 0.00 H new ATOM 0 HB3 LYS A 33 7.495 1.339 8.132 1.00 0.00 H new ATOM 0 HG2 LYS A 33 5.196 2.392 7.623 1.00 0.00 H new ATOM 0 HG3 LYS A 33 4.847 2.282 9.337 1.00 0.00 H new ATOM 0 HD2 LYS A 33 7.507 3.427 8.960 1.00 0.00 H new ATOM 0 HD3 LYS A 33 6.346 4.322 8.000 1.00 0.00 H new ATOM 0 HE2 LYS A 33 5.189 3.722 10.630 1.00 0.00 H new ATOM 0 HE3 LYS A 33 6.735 4.523 10.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 4.949 6.148 10.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 6.057 6.187 9.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 4.559 5.412 8.974 1.00 0.00 H new ATOM 481 N VAL A 34 3.562 0.419 7.874 1.00 0.00 N ATOM 482 CA VAL A 34 2.389 0.677 6.996 1.00 0.00 C ATOM 483 C VAL A 34 1.323 1.524 7.699 1.00 0.00 C ATOM 484 O VAL A 34 1.300 1.651 8.908 1.00 0.00 O ATOM 485 CB VAL A 34 1.840 -0.710 6.681 1.00 0.00 C ATOM 486 CG1 VAL A 34 1.494 -1.433 7.983 1.00 0.00 C ATOM 487 CG2 VAL A 34 0.580 -0.572 5.827 1.00 0.00 C ATOM 0 H VAL A 34 3.383 0.470 8.877 1.00 0.00 H new ATOM 0 HA VAL A 34 2.672 1.238 6.105 1.00 0.00 H new ATOM 0 HB VAL A 34 2.591 -1.283 6.138 1.00 0.00 H new ATOM 0 HG11 VAL A 34 1.102 -2.424 7.756 1.00 0.00 H new ATOM 0 HG12 VAL A 34 2.391 -1.529 8.595 1.00 0.00 H new ATOM 0 HG13 VAL A 34 0.742 -0.862 8.528 1.00 0.00 H new ATOM 0 HG21 VAL A 34 0.184 -1.562 5.600 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -0.169 0.001 6.373 1.00 0.00 H new ATOM 0 HG23 VAL A 34 0.825 -0.057 4.898 1.00 0.00 H new ATOM 497 N ASP A 35 0.427 2.079 6.929 1.00 0.00 N ATOM 498 CA ASP A 35 -0.679 2.905 7.499 1.00 0.00 C ATOM 499 C ASP A 35 -1.972 2.522 6.780 1.00 0.00 C ATOM 500 O ASP A 35 -1.962 2.218 5.602 1.00 0.00 O ATOM 501 CB ASP A 35 -0.307 4.362 7.214 1.00 0.00 C ATOM 502 CG ASP A 35 0.021 5.071 8.529 1.00 0.00 C ATOM 503 OD1 ASP A 35 -0.459 4.623 9.557 1.00 0.00 O ATOM 504 OD2 ASP A 35 0.749 6.049 8.485 1.00 0.00 O ATOM 0 H ASP A 35 0.413 1.994 5.913 1.00 0.00 H new ATOM 0 HA ASP A 35 -0.821 2.752 8.569 1.00 0.00 H new ATOM 0 HB2 ASP A 35 0.550 4.405 6.542 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -1.132 4.868 6.712 1.00 0.00 H new ATOM 509 N VAL A 36 -3.078 2.499 7.471 1.00 0.00 N ATOM 510 CA VAL A 36 -4.347 2.081 6.802 1.00 0.00 C ATOM 511 C VAL A 36 -5.303 3.256 6.598 1.00 0.00 C ATOM 512 O VAL A 36 -5.648 3.965 7.522 1.00 0.00 O ATOM 513 CB VAL A 36 -5.001 1.051 7.739 1.00 0.00 C ATOM 514 CG1 VAL A 36 -5.724 -0.006 6.902 1.00 0.00 C ATOM 515 CG2 VAL A 36 -3.948 0.358 8.613 1.00 0.00 C ATOM 0 H VAL A 36 -3.161 2.747 8.457 1.00 0.00 H new ATOM 0 HA VAL A 36 -4.131 1.675 5.814 1.00 0.00 H new ATOM 0 HB VAL A 36 -5.706 1.573 8.386 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -6.189 -0.738 7.563 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -6.492 0.473 6.294 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -5.007 -0.508 6.252 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -4.436 -0.365 9.266 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -3.228 -0.156 7.976 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -3.431 1.102 9.218 1.00 0.00 H new ATOM 525 N GLY A 37 -5.764 3.431 5.390 1.00 0.00 N ATOM 526 CA GLY A 37 -6.738 4.516 5.100 1.00 0.00 C ATOM 527 C GLY A 37 -8.048 3.848 4.687 1.00 0.00 C ATOM 528 O GLY A 37 -8.617 4.164 3.667 1.00 0.00 O ATOM 0 H GLY A 37 -5.503 2.862 4.585 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -6.887 5.144 5.978 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -6.368 5.163 4.304 1.00 0.00 H new ATOM 532 N PHE A 38 -8.489 2.900 5.483 1.00 0.00 N ATOM 533 CA PHE A 38 -9.745 2.123 5.205 1.00 0.00 C ATOM 534 C PHE A 38 -10.767 2.886 4.335 1.00 0.00 C ATOM 535 O PHE A 38 -10.520 3.201 3.189 1.00 0.00 O ATOM 536 CB PHE A 38 -10.314 1.816 6.597 1.00 0.00 C ATOM 537 CG PHE A 38 -10.520 3.083 7.407 1.00 0.00 C ATOM 538 CD1 PHE A 38 -10.298 4.349 6.845 1.00 0.00 C ATOM 539 CD2 PHE A 38 -10.943 2.978 8.738 1.00 0.00 C ATOM 540 CE1 PHE A 38 -10.501 5.502 7.615 1.00 0.00 C ATOM 541 CE2 PHE A 38 -11.144 4.130 9.506 1.00 0.00 C ATOM 542 CZ PHE A 38 -10.923 5.392 8.945 1.00 0.00 C ATOM 0 H PHE A 38 -8.014 2.624 6.343 1.00 0.00 H new ATOM 0 HA PHE A 38 -9.528 1.228 4.622 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -11.263 1.290 6.495 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -9.636 1.149 7.129 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -9.971 4.435 5.819 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -11.115 2.004 9.173 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -10.332 6.477 7.182 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -11.470 4.045 10.532 1.00 0.00 H new ATOM 0 HZ PHE A 38 -11.078 6.281 9.538 1.00 0.00 H new ATOM 552 N GLU A 39 -11.937 3.143 4.857 1.00 0.00 N ATOM 553 CA GLU A 39 -12.978 3.854 4.057 1.00 0.00 C ATOM 554 C GLU A 39 -12.354 4.997 3.249 1.00 0.00 C ATOM 555 O GLU A 39 -12.761 5.276 2.138 1.00 0.00 O ATOM 556 CB GLU A 39 -13.958 4.404 5.093 1.00 0.00 C ATOM 557 CG GLU A 39 -15.064 5.192 4.387 1.00 0.00 C ATOM 558 CD GLU A 39 -16.367 4.391 4.424 1.00 0.00 C ATOM 559 OE1 GLU A 39 -16.505 3.561 5.307 1.00 0.00 O ATOM 560 OE2 GLU A 39 -17.204 4.622 3.567 1.00 0.00 O ATOM 0 H GLU A 39 -12.218 2.891 5.805 1.00 0.00 H new ATOM 0 HA GLU A 39 -13.463 3.194 3.338 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -14.391 3.586 5.669 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -13.433 5.048 5.799 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -15.204 6.157 4.874 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -14.778 5.394 3.355 1.00 0.00 H new ATOM 567 N LYS A 40 -11.371 5.661 3.795 1.00 0.00 N ATOM 568 CA LYS A 40 -10.727 6.786 3.052 1.00 0.00 C ATOM 569 C LYS A 40 -9.612 6.260 2.141 1.00 0.00 C ATOM 570 O LYS A 40 -8.578 6.880 2.004 1.00 0.00 O ATOM 571 CB LYS A 40 -10.151 7.701 4.134 1.00 0.00 C ATOM 572 CG LYS A 40 -9.969 9.110 3.565 1.00 0.00 C ATOM 573 CD LYS A 40 -8.801 9.803 4.270 1.00 0.00 C ATOM 574 CE LYS A 40 -9.327 10.604 5.463 1.00 0.00 C ATOM 575 NZ LYS A 40 -8.492 10.167 6.618 1.00 0.00 N ATOM 0 H LYS A 40 -10.986 5.475 4.721 1.00 0.00 H new ATOM 0 HA LYS A 40 -11.435 7.310 2.410 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -10.818 7.728 4.996 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -9.195 7.312 4.484 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -9.780 9.058 2.493 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -10.883 9.688 3.700 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -8.075 9.063 4.607 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -8.283 10.464 3.575 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -9.233 11.676 5.291 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -10.383 10.401 5.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -8.793 10.673 7.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -8.607 9.143 6.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -7.493 10.379 6.424 1.00 0.00 H new ATOM 589 N ARG A 41 -9.839 5.121 1.524 1.00 0.00 N ATOM 590 CA ARG A 41 -8.836 4.491 0.598 1.00 0.00 C ATOM 591 C ARG A 41 -7.482 5.200 0.618 1.00 0.00 C ATOM 592 O ARG A 41 -7.210 6.062 -0.194 1.00 0.00 O ATOM 593 CB ARG A 41 -9.459 4.603 -0.790 1.00 0.00 C ATOM 594 CG ARG A 41 -9.583 6.073 -1.191 1.00 0.00 C ATOM 595 CD ARG A 41 -8.818 6.307 -2.498 1.00 0.00 C ATOM 596 NE ARG A 41 -9.855 6.785 -3.456 1.00 0.00 N ATOM 597 CZ ARG A 41 -9.507 7.265 -4.620 1.00 0.00 C ATOM 598 NH1 ARG A 41 -8.246 7.318 -4.958 1.00 0.00 N ATOM 599 NH2 ARG A 41 -10.421 7.687 -5.449 1.00 0.00 N ATOM 0 H ARG A 41 -10.702 4.587 1.627 1.00 0.00 H new ATOM 0 HA ARG A 41 -8.632 3.464 0.900 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -8.846 4.070 -1.517 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -10.442 4.132 -0.795 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -10.632 6.340 -1.317 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -9.184 6.712 -0.403 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -8.027 7.045 -2.368 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -8.344 5.391 -2.850 1.00 0.00 H new ATOM 0 HE ARG A 41 -10.842 6.737 -3.201 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -7.530 6.984 -4.312 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -7.977 7.693 -5.868 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -11.406 7.642 -5.188 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -10.151 8.062 -6.358 1.00 0.00 H new ATOM 613 N GLU A 42 -6.625 4.842 1.527 1.00 0.00 N ATOM 614 CA GLU A 42 -5.294 5.500 1.569 1.00 0.00 C ATOM 615 C GLU A 42 -4.303 4.665 2.382 1.00 0.00 C ATOM 616 O GLU A 42 -4.418 4.548 3.586 1.00 0.00 O ATOM 617 CB GLU A 42 -5.540 6.848 2.245 1.00 0.00 C ATOM 618 CG GLU A 42 -4.436 7.828 1.844 1.00 0.00 C ATOM 619 CD GLU A 42 -5.006 9.245 1.790 1.00 0.00 C ATOM 620 OE1 GLU A 42 -5.269 9.796 2.846 1.00 0.00 O ATOM 621 OE2 GLU A 42 -5.171 9.755 0.694 1.00 0.00 O ATOM 0 H GLU A 42 -6.786 4.128 2.238 1.00 0.00 H new ATOM 0 HA GLU A 42 -4.863 5.612 0.574 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -6.514 7.241 1.953 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -5.557 6.726 3.328 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -3.616 7.782 2.561 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -4.026 7.552 0.872 1.00 0.00 H new ATOM 628 N ALA A 43 -3.325 4.084 1.738 1.00 0.00 N ATOM 629 CA ALA A 43 -2.334 3.264 2.489 1.00 0.00 C ATOM 630 C ALA A 43 -0.965 3.951 2.484 1.00 0.00 C ATOM 631 O ALA A 43 -0.377 4.176 1.450 1.00 0.00 O ATOM 632 CB ALA A 43 -2.267 1.934 1.736 1.00 0.00 C ATOM 0 H ALA A 43 -3.171 4.142 0.731 1.00 0.00 H new ATOM 0 HA ALA A 43 -2.618 3.129 3.533 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -1.555 1.272 2.229 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -3.253 1.468 1.731 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -1.945 2.113 0.710 1.00 0.00 H new ATOM 638 N VAL A 44 -0.441 4.267 3.632 1.00 0.00 N ATOM 639 CA VAL A 44 0.899 4.925 3.675 1.00 0.00 C ATOM 640 C VAL A 44 1.908 3.908 4.199 1.00 0.00 C ATOM 641 O VAL A 44 1.740 3.349 5.260 1.00 0.00 O ATOM 642 CB VAL A 44 0.727 6.119 4.625 1.00 0.00 C ATOM 643 CG1 VAL A 44 2.014 6.367 5.422 1.00 0.00 C ATOM 644 CG2 VAL A 44 0.398 7.368 3.804 1.00 0.00 C ATOM 0 H VAL A 44 -0.876 4.101 4.539 1.00 0.00 H new ATOM 0 HA VAL A 44 1.260 5.267 2.705 1.00 0.00 H new ATOM 0 HB VAL A 44 -0.081 5.899 5.323 1.00 0.00 H new ATOM 0 HG11 VAL A 44 1.871 7.217 6.089 1.00 0.00 H new ATOM 0 HG12 VAL A 44 2.254 5.481 6.010 1.00 0.00 H new ATOM 0 HG13 VAL A 44 2.833 6.579 4.734 1.00 0.00 H new ATOM 0 HG21 VAL A 44 0.274 8.220 4.472 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.211 7.569 3.106 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -0.526 7.205 3.249 1.00 0.00 H new ATOM 654 N VAL A 45 2.930 3.617 3.452 1.00 0.00 N ATOM 655 CA VAL A 45 3.876 2.578 3.933 1.00 0.00 C ATOM 656 C VAL A 45 5.342 2.993 3.815 1.00 0.00 C ATOM 657 O VAL A 45 5.738 3.746 2.946 1.00 0.00 O ATOM 658 CB VAL A 45 3.591 1.376 3.029 1.00 0.00 C ATOM 659 CG1 VAL A 45 4.738 0.365 3.121 1.00 0.00 C ATOM 660 CG2 VAL A 45 2.289 0.709 3.471 1.00 0.00 C ATOM 0 H VAL A 45 3.150 4.041 2.551 1.00 0.00 H new ATOM 0 HA VAL A 45 3.730 2.379 4.995 1.00 0.00 H new ATOM 0 HB VAL A 45 3.500 1.717 1.998 1.00 0.00 H new ATOM 0 HG11 VAL A 45 4.525 -0.486 2.474 1.00 0.00 H new ATOM 0 HG12 VAL A 45 5.667 0.839 2.804 1.00 0.00 H new ATOM 0 HG13 VAL A 45 4.839 0.022 4.151 1.00 0.00 H new ATOM 0 HG21 VAL A 45 2.083 -0.148 2.829 1.00 0.00 H new ATOM 0 HG22 VAL A 45 2.384 0.374 4.504 1.00 0.00 H new ATOM 0 HG23 VAL A 45 1.470 1.424 3.396 1.00 0.00 H new ATOM 670 N THR A 46 6.145 2.435 4.674 1.00 0.00 N ATOM 671 CA THR A 46 7.609 2.683 4.650 1.00 0.00 C ATOM 672 C THR A 46 8.259 1.358 4.301 1.00 0.00 C ATOM 673 O THR A 46 7.681 0.316 4.528 1.00 0.00 O ATOM 674 CB THR A 46 7.983 3.105 6.072 1.00 0.00 C ATOM 675 OG1 THR A 46 7.761 4.499 6.229 1.00 0.00 O ATOM 676 CG2 THR A 46 9.459 2.788 6.335 1.00 0.00 C ATOM 0 H THR A 46 5.838 1.800 5.411 1.00 0.00 H new ATOM 0 HA THR A 46 7.921 3.446 3.936 1.00 0.00 H new ATOM 0 HB THR A 46 7.365 2.557 6.783 1.00 0.00 H new ATOM 0 HG1 THR A 46 8.278 4.829 6.993 1.00 0.00 H new ATOM 0 HG21 THR A 46 9.721 3.090 7.349 1.00 0.00 H new ATOM 0 HG22 THR A 46 9.627 1.717 6.221 1.00 0.00 H new ATOM 0 HG23 THR A 46 10.080 3.331 5.623 1.00 0.00 H new ATOM 684 N PHE A 47 9.429 1.358 3.749 1.00 0.00 N ATOM 685 CA PHE A 47 10.030 0.050 3.410 1.00 0.00 C ATOM 686 C PHE A 47 11.461 0.199 2.944 1.00 0.00 C ATOM 687 O PHE A 47 11.997 1.283 2.859 1.00 0.00 O ATOM 688 CB PHE A 47 9.163 -0.478 2.274 1.00 0.00 C ATOM 689 CG PHE A 47 9.360 0.397 1.064 1.00 0.00 C ATOM 690 CD1 PHE A 47 10.388 0.119 0.152 1.00 0.00 C ATOM 691 CD2 PHE A 47 8.511 1.491 0.853 1.00 0.00 C ATOM 692 CE1 PHE A 47 10.565 0.938 -0.965 1.00 0.00 C ATOM 693 CE2 PHE A 47 8.691 2.307 -0.267 1.00 0.00 C ATOM 694 CZ PHE A 47 9.716 2.030 -1.177 1.00 0.00 C ATOM 0 H PHE A 47 9.984 2.183 3.522 1.00 0.00 H new ATOM 0 HA PHE A 47 10.061 -0.616 4.273 1.00 0.00 H new ATOM 0 HB2 PHE A 47 9.432 -1.509 2.042 1.00 0.00 H new ATOM 0 HB3 PHE A 47 8.114 -0.481 2.570 1.00 0.00 H new ATOM 0 HD1 PHE A 47 11.041 -0.726 0.313 1.00 0.00 H new ATOM 0 HD2 PHE A 47 7.718 1.704 1.555 1.00 0.00 H new ATOM 0 HE1 PHE A 47 11.359 0.728 -1.667 1.00 0.00 H new ATOM 0 HE2 PHE A 47 8.038 3.152 -0.430 1.00 0.00 H new ATOM 0 HZ PHE A 47 9.852 2.659 -2.044 1.00 0.00 H new ATOM 704 N ASP A 48 12.061 -0.897 2.603 1.00 0.00 N ATOM 705 CA ASP A 48 13.449 -0.863 2.097 1.00 0.00 C ATOM 706 C ASP A 48 13.392 -1.126 0.599 1.00 0.00 C ATOM 707 O ASP A 48 12.938 -2.163 0.158 1.00 0.00 O ATOM 708 CB ASP A 48 14.178 -1.992 2.829 1.00 0.00 C ATOM 709 CG ASP A 48 14.707 -1.475 4.168 1.00 0.00 C ATOM 710 OD1 ASP A 48 13.903 -1.023 4.967 1.00 0.00 O ATOM 711 OD2 ASP A 48 15.908 -1.539 4.373 1.00 0.00 O ATOM 0 H ASP A 48 11.643 -1.826 2.654 1.00 0.00 H new ATOM 0 HA ASP A 48 13.958 0.086 2.263 1.00 0.00 H new ATOM 0 HB2 ASP A 48 13.501 -2.830 2.993 1.00 0.00 H new ATOM 0 HB3 ASP A 48 15.002 -2.362 2.219 1.00 0.00 H new ATOM 716 N ASP A 49 13.805 -0.181 -0.192 1.00 0.00 N ATOM 717 CA ASP A 49 13.717 -0.378 -1.664 1.00 0.00 C ATOM 718 C ASP A 49 14.733 -1.419 -2.147 1.00 0.00 C ATOM 719 O ASP A 49 14.810 -1.717 -3.322 1.00 0.00 O ATOM 720 CB ASP A 49 14.001 0.993 -2.276 1.00 0.00 C ATOM 721 CG ASP A 49 14.067 0.865 -3.799 1.00 0.00 C ATOM 722 OD1 ASP A 49 13.489 -0.075 -4.321 1.00 0.00 O ATOM 723 OD2 ASP A 49 14.693 1.709 -4.419 1.00 0.00 O ATOM 0 H ASP A 49 14.196 0.711 0.111 1.00 0.00 H new ATOM 0 HA ASP A 49 12.738 -0.756 -1.959 1.00 0.00 H new ATOM 0 HB2 ASP A 49 13.220 1.699 -1.993 1.00 0.00 H new ATOM 0 HB3 ASP A 49 14.942 1.387 -1.892 1.00 0.00 H new ATOM 728 N THR A 50 15.504 -1.986 -1.259 1.00 0.00 N ATOM 729 CA THR A 50 16.492 -3.013 -1.693 1.00 0.00 C ATOM 730 C THR A 50 15.753 -4.234 -2.250 1.00 0.00 C ATOM 731 O THR A 50 16.323 -5.060 -2.935 1.00 0.00 O ATOM 732 CB THR A 50 17.270 -3.383 -0.429 1.00 0.00 C ATOM 733 OG1 THR A 50 18.389 -4.186 -0.783 1.00 0.00 O ATOM 734 CG2 THR A 50 16.361 -4.162 0.523 1.00 0.00 C ATOM 0 H THR A 50 15.493 -1.784 -0.259 1.00 0.00 H new ATOM 0 HA THR A 50 17.155 -2.649 -2.478 1.00 0.00 H new ATOM 0 HB THR A 50 17.615 -2.475 0.065 1.00 0.00 H new ATOM 0 HG1 THR A 50 18.890 -4.423 0.025 1.00 0.00 H new ATOM 0 HG21 THR A 50 16.917 -4.425 1.423 1.00 0.00 H new ATOM 0 HG22 THR A 50 15.503 -3.546 0.793 1.00 0.00 H new ATOM 0 HG23 THR A 50 16.014 -5.071 0.032 1.00 0.00 H new ATOM 742 N LYS A 51 14.484 -4.349 -1.964 1.00 0.00 N ATOM 743 CA LYS A 51 13.700 -5.510 -2.479 1.00 0.00 C ATOM 744 C LYS A 51 12.327 -5.044 -2.956 1.00 0.00 C ATOM 745 O LYS A 51 11.845 -5.441 -3.998 1.00 0.00 O ATOM 746 CB LYS A 51 13.565 -6.462 -1.290 1.00 0.00 C ATOM 747 CG LYS A 51 14.894 -7.186 -1.060 1.00 0.00 C ATOM 748 CD LYS A 51 14.659 -8.699 -1.057 1.00 0.00 C ATOM 749 CE LYS A 51 13.993 -9.111 0.258 1.00 0.00 C ATOM 750 NZ LYS A 51 15.088 -9.708 1.073 1.00 0.00 N ATOM 0 H LYS A 51 13.955 -3.688 -1.395 1.00 0.00 H new ATOM 0 HA LYS A 51 14.185 -5.993 -3.328 1.00 0.00 H new ATOM 0 HB2 LYS A 51 13.282 -5.906 -0.396 1.00 0.00 H new ATOM 0 HB3 LYS A 51 12.772 -7.186 -1.479 1.00 0.00 H new ATOM 0 HG2 LYS A 51 15.605 -6.920 -1.842 1.00 0.00 H new ATOM 0 HG3 LYS A 51 15.331 -6.873 -0.112 1.00 0.00 H new ATOM 0 HD2 LYS A 51 14.028 -8.981 -1.900 1.00 0.00 H new ATOM 0 HD3 LYS A 51 15.606 -9.225 -1.177 1.00 0.00 H new ATOM 0 HE2 LYS A 51 13.549 -8.252 0.762 1.00 0.00 H new ATOM 0 HE3 LYS A 51 13.192 -9.830 0.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 14.709 -10.015 1.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 15.487 -10.527 0.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 15.833 -8.999 1.226 1.00 0.00 H new ATOM 764 N ALA A 52 11.708 -4.196 -2.198 1.00 0.00 N ATOM 765 CA ALA A 52 10.364 -3.673 -2.585 1.00 0.00 C ATOM 766 C ALA A 52 10.497 -2.241 -3.101 1.00 0.00 C ATOM 767 O ALA A 52 11.585 -1.756 -3.334 1.00 0.00 O ATOM 768 CB ALA A 52 9.534 -3.705 -1.301 1.00 0.00 C ATOM 0 H ALA A 52 12.073 -3.835 -1.317 1.00 0.00 H new ATOM 0 HA ALA A 52 9.902 -4.262 -3.377 1.00 0.00 H new ATOM 0 HB1 ALA A 52 8.530 -3.334 -1.507 1.00 0.00 H new ATOM 0 HB2 ALA A 52 9.473 -4.729 -0.932 1.00 0.00 H new ATOM 0 HB3 ALA A 52 10.006 -3.075 -0.547 1.00 0.00 H new ATOM 774 N SER A 53 9.401 -1.559 -3.282 1.00 0.00 N ATOM 775 CA SER A 53 9.475 -0.159 -3.784 1.00 0.00 C ATOM 776 C SER A 53 8.077 0.449 -3.878 1.00 0.00 C ATOM 777 O SER A 53 7.091 -0.251 -3.960 1.00 0.00 O ATOM 778 CB SER A 53 10.098 -0.269 -5.176 1.00 0.00 C ATOM 779 OG SER A 53 10.466 1.027 -5.629 1.00 0.00 O ATOM 0 H SER A 53 8.460 -1.909 -3.105 1.00 0.00 H new ATOM 0 HA SER A 53 10.057 0.482 -3.121 1.00 0.00 H new ATOM 0 HB2 SER A 53 10.973 -0.918 -5.145 1.00 0.00 H new ATOM 0 HB3 SER A 53 9.389 -0.722 -5.870 1.00 0.00 H new ATOM 0 HG SER A 53 10.867 0.960 -6.521 1.00 0.00 H new ATOM 785 N VAL A 54 7.989 1.748 -3.872 1.00 0.00 N ATOM 786 CA VAL A 54 6.658 2.408 -3.977 1.00 0.00 C ATOM 787 C VAL A 54 5.809 1.684 -5.022 1.00 0.00 C ATOM 788 O VAL A 54 4.639 1.428 -4.819 1.00 0.00 O ATOM 789 CB VAL A 54 6.964 3.837 -4.425 1.00 0.00 C ATOM 790 CG1 VAL A 54 7.896 3.807 -5.639 1.00 0.00 C ATOM 791 CG2 VAL A 54 5.661 4.541 -4.805 1.00 0.00 C ATOM 0 H VAL A 54 8.783 2.384 -3.799 1.00 0.00 H new ATOM 0 HA VAL A 54 6.101 2.389 -3.040 1.00 0.00 H new ATOM 0 HB VAL A 54 7.447 4.375 -3.610 1.00 0.00 H new ATOM 0 HG11 VAL A 54 8.113 4.827 -5.957 1.00 0.00 H new ATOM 0 HG12 VAL A 54 8.826 3.305 -5.372 1.00 0.00 H new ATOM 0 HG13 VAL A 54 7.414 3.268 -6.454 1.00 0.00 H new ATOM 0 HG21 VAL A 54 5.878 5.560 -5.125 1.00 0.00 H new ATOM 0 HG22 VAL A 54 5.179 4.000 -5.619 1.00 0.00 H new ATOM 0 HG23 VAL A 54 4.996 4.565 -3.942 1.00 0.00 H new ATOM 801 N GLN A 55 6.396 1.333 -6.134 1.00 0.00 N ATOM 802 CA GLN A 55 5.625 0.604 -7.179 1.00 0.00 C ATOM 803 C GLN A 55 5.121 -0.717 -6.594 1.00 0.00 C ATOM 804 O GLN A 55 3.974 -1.086 -6.755 1.00 0.00 O ATOM 805 CB GLN A 55 6.625 0.354 -8.311 1.00 0.00 C ATOM 806 CG GLN A 55 5.894 -0.207 -9.533 1.00 0.00 C ATOM 807 CD GLN A 55 6.903 -0.481 -10.650 1.00 0.00 C ATOM 808 OE1 GLN A 55 7.509 -1.534 -10.693 1.00 0.00 O ATOM 809 NE2 GLN A 55 7.112 0.428 -11.563 1.00 0.00 N ATOM 0 H GLN A 55 7.372 1.519 -6.363 1.00 0.00 H new ATOM 0 HA GLN A 55 4.757 1.158 -7.535 1.00 0.00 H new ATOM 0 HB2 GLN A 55 7.131 1.283 -8.573 1.00 0.00 H new ATOM 0 HB3 GLN A 55 7.393 -0.346 -7.982 1.00 0.00 H new ATOM 0 HG2 GLN A 55 5.371 -1.126 -9.267 1.00 0.00 H new ATOM 0 HG3 GLN A 55 5.140 0.501 -9.876 1.00 0.00 H new ATOM 0 HE21 GLN A 55 6.604 1.312 -11.528 1.00 0.00 H new ATOM 0 HE22 GLN A 55 7.783 0.254 -12.311 1.00 0.00 H new ATOM 818 N LYS A 56 5.976 -1.430 -5.911 1.00 0.00 N ATOM 819 CA LYS A 56 5.561 -2.726 -5.306 1.00 0.00 C ATOM 820 C LYS A 56 4.496 -2.513 -4.222 1.00 0.00 C ATOM 821 O LYS A 56 3.723 -3.403 -3.931 1.00 0.00 O ATOM 822 CB LYS A 56 6.838 -3.306 -4.696 1.00 0.00 C ATOM 823 CG LYS A 56 7.231 -4.578 -5.450 1.00 0.00 C ATOM 824 CD LYS A 56 8.755 -4.707 -5.473 1.00 0.00 C ATOM 825 CE LYS A 56 9.212 -5.115 -6.874 1.00 0.00 C ATOM 826 NZ LYS A 56 9.682 -3.852 -7.506 1.00 0.00 N ATOM 0 H LYS A 56 6.948 -1.168 -5.746 1.00 0.00 H new ATOM 0 HA LYS A 56 5.117 -3.392 -6.046 1.00 0.00 H new ATOM 0 HB2 LYS A 56 7.644 -2.575 -4.750 1.00 0.00 H new ATOM 0 HB3 LYS A 56 6.681 -3.530 -3.641 1.00 0.00 H new ATOM 0 HG2 LYS A 56 6.789 -5.450 -4.969 1.00 0.00 H new ATOM 0 HG3 LYS A 56 6.843 -4.545 -6.468 1.00 0.00 H new ATOM 0 HD2 LYS A 56 9.215 -3.760 -5.190 1.00 0.00 H new ATOM 0 HD3 LYS A 56 9.079 -5.449 -4.743 1.00 0.00 H new ATOM 0 HE2 LYS A 56 10.011 -5.855 -6.829 1.00 0.00 H new ATOM 0 HE3 LYS A 56 8.395 -5.561 -7.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 10.012 -4.049 -8.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 8.899 -3.169 -7.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 10.464 -3.454 -6.947 1.00 0.00 H new ATOM 840 N LEU A 57 4.426 -1.347 -3.626 1.00 0.00 N ATOM 841 CA LEU A 57 3.381 -1.129 -2.587 1.00 0.00 C ATOM 842 C LEU A 57 2.027 -1.008 -3.286 1.00 0.00 C ATOM 843 O LEU A 57 1.102 -1.751 -3.019 1.00 0.00 O ATOM 844 CB LEU A 57 3.754 0.182 -1.893 1.00 0.00 C ATOM 845 CG LEU A 57 5.212 0.140 -1.425 1.00 0.00 C ATOM 846 CD1 LEU A 57 5.618 1.534 -0.953 1.00 0.00 C ATOM 847 CD2 LEU A 57 5.363 -0.851 -0.264 1.00 0.00 C ATOM 0 H LEU A 57 5.037 -0.552 -3.812 1.00 0.00 H new ATOM 0 HA LEU A 57 3.320 -1.943 -1.865 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.609 1.018 -2.577 1.00 0.00 H new ATOM 0 HB3 LEU A 57 3.096 0.350 -1.040 1.00 0.00 H new ATOM 0 HG LEU A 57 5.849 -0.179 -2.250 1.00 0.00 H new ATOM 0 HD11 LEU A 57 6.655 1.517 -0.617 1.00 0.00 H new ATOM 0 HD12 LEU A 57 5.515 2.241 -1.776 1.00 0.00 H new ATOM 0 HD13 LEU A 57 4.975 1.841 -0.128 1.00 0.00 H new ATOM 0 HD21 LEU A 57 6.403 -0.874 0.062 1.00 0.00 H new ATOM 0 HD22 LEU A 57 4.729 -0.538 0.566 1.00 0.00 H new ATOM 0 HD23 LEU A 57 5.064 -1.846 -0.594 1.00 0.00 H new ATOM 859 N THR A 58 1.923 -0.093 -4.209 1.00 0.00 N ATOM 860 CA THR A 58 0.655 0.067 -4.966 1.00 0.00 C ATOM 861 C THR A 58 0.392 -1.216 -5.746 1.00 0.00 C ATOM 862 O THR A 58 -0.721 -1.510 -6.132 1.00 0.00 O ATOM 863 CB THR A 58 0.913 1.234 -5.918 1.00 0.00 C ATOM 864 OG1 THR A 58 1.330 2.364 -5.167 1.00 0.00 O ATOM 865 CG2 THR A 58 -0.365 1.571 -6.687 1.00 0.00 C ATOM 0 H THR A 58 2.667 0.553 -4.471 1.00 0.00 H new ATOM 0 HA THR A 58 -0.210 0.256 -4.330 1.00 0.00 H new ATOM 0 HB THR A 58 1.691 0.957 -6.629 1.00 0.00 H new ATOM 0 HG1 THR A 58 2.304 2.456 -5.228 1.00 0.00 H new ATOM 0 HG21 THR A 58 -0.174 2.404 -7.364 1.00 0.00 H new ATOM 0 HG22 THR A 58 -0.683 0.702 -7.262 1.00 0.00 H new ATOM 0 HG23 THR A 58 -1.150 1.848 -5.984 1.00 0.00 H new ATOM 873 N LYS A 59 1.420 -1.993 -5.966 1.00 0.00 N ATOM 874 CA LYS A 59 1.247 -3.268 -6.698 1.00 0.00 C ATOM 875 C LYS A 59 0.734 -4.330 -5.729 1.00 0.00 C ATOM 876 O LYS A 59 0.032 -5.245 -6.111 1.00 0.00 O ATOM 877 CB LYS A 59 2.644 -3.622 -7.205 1.00 0.00 C ATOM 878 CG LYS A 59 2.631 -5.038 -7.775 1.00 0.00 C ATOM 879 CD LYS A 59 3.338 -5.987 -6.804 1.00 0.00 C ATOM 880 CE LYS A 59 2.652 -7.355 -6.833 1.00 0.00 C ATOM 881 NZ LYS A 59 3.765 -8.343 -6.783 1.00 0.00 N ATOM 0 H LYS A 59 2.374 -1.792 -5.666 1.00 0.00 H new ATOM 0 HA LYS A 59 0.532 -3.200 -7.518 1.00 0.00 H new ATOM 0 HB2 LYS A 59 2.956 -2.912 -7.971 1.00 0.00 H new ATOM 0 HB3 LYS A 59 3.367 -3.552 -6.392 1.00 0.00 H new ATOM 0 HG2 LYS A 59 1.604 -5.366 -7.938 1.00 0.00 H new ATOM 0 HG3 LYS A 59 3.129 -5.056 -8.744 1.00 0.00 H new ATOM 0 HD2 LYS A 59 4.388 -6.089 -7.079 1.00 0.00 H new ATOM 0 HD3 LYS A 59 3.311 -5.577 -5.794 1.00 0.00 H new ATOM 0 HE2 LYS A 59 1.977 -7.477 -5.986 1.00 0.00 H new ATOM 0 HE3 LYS A 59 2.055 -7.478 -7.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 3.375 -9.307 -6.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 4.387 -8.207 -7.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 4.312 -8.206 -5.909 1.00 0.00 H new ATOM 895 N ALA A 60 1.068 -4.208 -4.470 1.00 0.00 N ATOM 896 CA ALA A 60 0.578 -5.208 -3.481 1.00 0.00 C ATOM 897 C ALA A 60 -0.928 -5.046 -3.305 1.00 0.00 C ATOM 898 O ALA A 60 -1.662 -6.012 -3.236 1.00 0.00 O ATOM 899 CB ALA A 60 1.322 -4.894 -2.183 1.00 0.00 C ATOM 0 H ALA A 60 1.654 -3.465 -4.089 1.00 0.00 H new ATOM 0 HA ALA A 60 0.758 -6.236 -3.795 1.00 0.00 H new ATOM 0 HB1 ALA A 60 1.011 -5.593 -1.407 1.00 0.00 H new ATOM 0 HB2 ALA A 60 2.395 -4.988 -2.347 1.00 0.00 H new ATOM 0 HB3 ALA A 60 1.091 -3.876 -1.868 1.00 0.00 H new ATOM 905 N THR A 61 -1.404 -3.831 -3.274 1.00 0.00 N ATOM 906 CA THR A 61 -2.872 -3.629 -3.151 1.00 0.00 C ATOM 907 C THR A 61 -3.486 -3.938 -4.501 1.00 0.00 C ATOM 908 O THR A 61 -4.510 -4.584 -4.607 1.00 0.00 O ATOM 909 CB THR A 61 -3.057 -2.159 -2.798 1.00 0.00 C ATOM 910 OG1 THR A 61 -4.429 -1.914 -2.523 1.00 0.00 O ATOM 911 CG2 THR A 61 -2.606 -1.282 -3.968 1.00 0.00 C ATOM 0 H THR A 61 -0.845 -2.979 -3.328 1.00 0.00 H new ATOM 0 HA THR A 61 -3.339 -4.264 -2.398 1.00 0.00 H new ATOM 0 HB THR A 61 -2.456 -1.919 -1.921 1.00 0.00 H new ATOM 0 HG1 THR A 61 -4.759 -1.205 -3.114 1.00 0.00 H new ATOM 0 HG21 THR A 61 -2.741 -0.232 -3.709 1.00 0.00 H new ATOM 0 HG22 THR A 61 -1.554 -1.471 -4.180 1.00 0.00 H new ATOM 0 HG23 THR A 61 -3.202 -1.517 -4.850 1.00 0.00 H new ATOM 919 N ALA A 62 -2.836 -3.504 -5.544 1.00 0.00 N ATOM 920 CA ALA A 62 -3.349 -3.800 -6.897 1.00 0.00 C ATOM 921 C ALA A 62 -3.444 -5.314 -7.041 1.00 0.00 C ATOM 922 O ALA A 62 -4.245 -5.834 -7.792 1.00 0.00 O ATOM 923 CB ALA A 62 -2.313 -3.219 -7.862 1.00 0.00 C ATOM 0 H ALA A 62 -1.974 -2.959 -5.512 1.00 0.00 H new ATOM 0 HA ALA A 62 -4.334 -3.377 -7.093 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -2.629 -3.402 -8.889 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -2.223 -2.145 -7.696 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -1.348 -3.695 -7.689 1.00 0.00 H new ATOM 929 N ASP A 63 -2.630 -6.026 -6.302 1.00 0.00 N ATOM 930 CA ASP A 63 -2.671 -7.508 -6.369 1.00 0.00 C ATOM 931 C ASP A 63 -3.652 -8.048 -5.328 1.00 0.00 C ATOM 932 O ASP A 63 -4.159 -9.145 -5.451 1.00 0.00 O ATOM 933 CB ASP A 63 -1.246 -7.962 -6.054 1.00 0.00 C ATOM 934 CG ASP A 63 -1.049 -9.397 -6.544 1.00 0.00 C ATOM 935 OD1 ASP A 63 -1.153 -9.613 -7.740 1.00 0.00 O ATOM 936 OD2 ASP A 63 -0.799 -10.256 -5.714 1.00 0.00 O ATOM 0 H ASP A 63 -1.941 -5.639 -5.657 1.00 0.00 H new ATOM 0 HA ASP A 63 -3.003 -7.871 -7.341 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -0.527 -7.300 -6.536 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -1.063 -7.904 -4.981 1.00 0.00 H new ATOM 941 N ALA A 64 -3.940 -7.280 -4.310 1.00 0.00 N ATOM 942 CA ALA A 64 -4.902 -7.753 -3.282 1.00 0.00 C ATOM 943 C ALA A 64 -6.307 -7.706 -3.871 1.00 0.00 C ATOM 944 O ALA A 64 -7.229 -8.317 -3.370 1.00 0.00 O ATOM 945 CB ALA A 64 -4.771 -6.765 -2.122 1.00 0.00 C ATOM 0 H ALA A 64 -3.551 -6.351 -4.150 1.00 0.00 H new ATOM 0 HA ALA A 64 -4.709 -8.774 -2.954 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -5.454 -7.051 -1.322 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -3.748 -6.777 -1.747 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -5.018 -5.762 -2.469 1.00 0.00 H new ATOM 951 N GLY A 65 -6.471 -6.974 -4.939 1.00 0.00 N ATOM 952 CA GLY A 65 -7.809 -6.872 -5.571 1.00 0.00 C ATOM 953 C GLY A 65 -8.307 -5.440 -5.447 1.00 0.00 C ATOM 954 O GLY A 65 -9.492 -5.178 -5.468 1.00 0.00 O ATOM 0 H GLY A 65 -5.732 -6.442 -5.399 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -7.753 -7.162 -6.620 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -8.507 -7.556 -5.088 1.00 0.00 H new ATOM 958 N TYR A 66 -7.403 -4.509 -5.321 1.00 0.00 N ATOM 959 CA TYR A 66 -7.813 -3.089 -5.192 1.00 0.00 C ATOM 960 C TYR A 66 -6.885 -2.202 -6.026 1.00 0.00 C ATOM 961 O TYR A 66 -5.885 -1.719 -5.533 1.00 0.00 O ATOM 962 CB TYR A 66 -7.676 -2.779 -3.701 1.00 0.00 C ATOM 963 CG TYR A 66 -8.349 -3.866 -2.900 1.00 0.00 C ATOM 964 CD1 TYR A 66 -9.694 -4.167 -3.139 1.00 0.00 C ATOM 965 CD2 TYR A 66 -7.636 -4.572 -1.921 1.00 0.00 C ATOM 966 CE1 TYR A 66 -10.329 -5.174 -2.402 1.00 0.00 C ATOM 967 CE2 TYR A 66 -8.271 -5.578 -1.186 1.00 0.00 C ATOM 968 CZ TYR A 66 -9.618 -5.880 -1.426 1.00 0.00 C ATOM 969 OH TYR A 66 -10.243 -6.873 -0.699 1.00 0.00 O ATOM 0 H TYR A 66 -6.397 -4.674 -5.302 1.00 0.00 H new ATOM 0 HA TYR A 66 -8.826 -2.907 -5.550 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -6.623 -2.710 -3.428 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -8.128 -1.813 -3.476 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -10.243 -3.622 -3.893 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -6.598 -4.339 -1.735 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -11.368 -5.406 -2.587 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -7.722 -6.123 -0.432 1.00 0.00 H new ATOM 0 HH TYR A 66 -9.695 -7.685 -0.715 1.00 0.00 H new ATOM 979 N PRO A 67 -7.246 -2.019 -7.273 1.00 0.00 N ATOM 980 CA PRO A 67 -6.435 -1.184 -8.186 1.00 0.00 C ATOM 981 C PRO A 67 -6.225 0.205 -7.584 1.00 0.00 C ATOM 982 O PRO A 67 -7.060 1.080 -7.706 1.00 0.00 O ATOM 983 CB PRO A 67 -7.303 -1.126 -9.447 1.00 0.00 C ATOM 984 CG PRO A 67 -8.527 -2.042 -9.247 1.00 0.00 C ATOM 985 CD PRO A 67 -8.479 -2.625 -7.828 1.00 0.00 C ATOM 0 HA PRO A 67 -5.436 -1.575 -8.378 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -7.624 -0.102 -9.638 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -6.729 -1.447 -10.316 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -9.449 -1.478 -9.393 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -8.523 -2.844 -9.985 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -9.361 -2.354 -7.248 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -8.427 -3.714 -7.838 1.00 0.00 H new ATOM 993 N SER A 68 -5.119 0.407 -6.924 1.00 0.00 N ATOM 994 CA SER A 68 -4.857 1.734 -6.297 1.00 0.00 C ATOM 995 C SER A 68 -3.760 2.486 -7.052 1.00 0.00 C ATOM 996 O SER A 68 -3.429 2.168 -8.177 1.00 0.00 O ATOM 997 CB SER A 68 -4.397 1.409 -4.877 1.00 0.00 C ATOM 998 OG SER A 68 -4.915 0.142 -4.494 1.00 0.00 O ATOM 0 H SER A 68 -4.385 -0.289 -6.791 1.00 0.00 H new ATOM 0 HA SER A 68 -5.739 2.374 -6.313 1.00 0.00 H new ATOM 0 HB2 SER A 68 -3.308 1.399 -4.828 1.00 0.00 H new ATOM 0 HB3 SER A 68 -4.740 2.179 -4.186 1.00 0.00 H new ATOM 0 HG SER A 68 -5.508 -0.195 -5.197 1.00 0.00 H new ATOM 1004 N SER A 69 -3.200 3.484 -6.433 1.00 0.00 N ATOM 1005 CA SER A 69 -2.128 4.276 -7.086 1.00 0.00 C ATOM 1006 C SER A 69 -1.176 4.788 -6.012 1.00 0.00 C ATOM 1007 O SER A 69 -1.256 4.390 -4.868 1.00 0.00 O ATOM 1008 CB SER A 69 -2.849 5.435 -7.770 1.00 0.00 C ATOM 1009 OG SER A 69 -2.936 5.177 -9.165 1.00 0.00 O ATOM 0 H SER A 69 -3.443 3.788 -5.490 1.00 0.00 H new ATOM 0 HA SER A 69 -1.543 3.699 -7.802 1.00 0.00 H new ATOM 0 HB2 SER A 69 -3.847 5.557 -7.348 1.00 0.00 H new ATOM 0 HB3 SER A 69 -2.312 6.367 -7.594 1.00 0.00 H new ATOM 0 HG SER A 69 -3.089 4.220 -9.312 1.00 0.00 H new ATOM 1015 N VAL A 70 -0.264 5.643 -6.357 1.00 0.00 N ATOM 1016 CA VAL A 70 0.685 6.135 -5.331 1.00 0.00 C ATOM 1017 C VAL A 70 0.951 7.630 -5.475 1.00 0.00 C ATOM 1018 O VAL A 70 0.839 8.194 -6.545 1.00 0.00 O ATOM 1019 CB VAL A 70 1.938 5.322 -5.597 1.00 0.00 C ATOM 1020 CG1 VAL A 70 2.692 5.900 -6.800 1.00 0.00 C ATOM 1021 CG2 VAL A 70 2.842 5.352 -4.364 1.00 0.00 C ATOM 0 H VAL A 70 -0.134 6.020 -7.296 1.00 0.00 H new ATOM 0 HA VAL A 70 0.305 6.017 -4.316 1.00 0.00 H new ATOM 0 HB VAL A 70 1.654 4.292 -5.814 1.00 0.00 H new ATOM 0 HG11 VAL A 70 3.590 5.310 -6.984 1.00 0.00 H new ATOM 0 HG12 VAL A 70 2.051 5.869 -7.681 1.00 0.00 H new ATOM 0 HG13 VAL A 70 2.972 6.933 -6.592 1.00 0.00 H new ATOM 0 HG21 VAL A 70 3.741 4.767 -4.558 1.00 0.00 H new ATOM 0 HG22 VAL A 70 3.120 6.382 -4.142 1.00 0.00 H new ATOM 0 HG23 VAL A 70 2.310 4.928 -3.512 1.00 0.00 H new ATOM 1031 N LYS A 71 1.302 8.276 -4.395 1.00 0.00 N ATOM 1032 CA LYS A 71 1.573 9.744 -4.470 1.00 0.00 C ATOM 1033 C LYS A 71 2.502 10.177 -3.338 1.00 0.00 C ATOM 1034 O LYS A 71 2.341 11.233 -2.761 1.00 0.00 O ATOM 1035 CB LYS A 71 0.206 10.433 -4.348 1.00 0.00 C ATOM 1036 CG LYS A 71 -0.767 9.545 -3.562 1.00 0.00 C ATOM 1037 CD LYS A 71 -1.762 10.421 -2.805 1.00 0.00 C ATOM 1038 CE LYS A 71 -3.090 10.467 -3.570 1.00 0.00 C ATOM 1039 NZ LYS A 71 -3.631 11.837 -3.335 1.00 0.00 N ATOM 0 H LYS A 71 1.412 7.857 -3.472 1.00 0.00 H new ATOM 0 HA LYS A 71 2.069 10.012 -5.403 1.00 0.00 H new ATOM 0 HB2 LYS A 71 0.319 11.394 -3.846 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -0.197 10.636 -5.340 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -1.298 8.879 -4.242 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -0.217 8.915 -2.863 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -1.922 10.025 -1.802 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -1.362 11.428 -2.690 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -2.938 10.281 -4.633 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -3.779 9.704 -3.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -4.540 11.941 -3.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -3.773 11.984 -2.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -2.958 12.543 -3.696 1.00 0.00 H new ATOM 1053 N GLN A 72 3.478 9.364 -3.045 1.00 0.00 N ATOM 1054 CA GLN A 72 4.464 9.688 -1.964 1.00 0.00 C ATOM 1055 C GLN A 72 3.833 10.564 -0.876 1.00 0.00 C ATOM 1056 O GLN A 72 3.285 10.008 0.061 1.00 0.00 O ATOM 1057 CB GLN A 72 5.588 10.442 -2.676 1.00 0.00 C ATOM 1058 CG GLN A 72 6.216 9.534 -3.737 1.00 0.00 C ATOM 1059 CD GLN A 72 7.225 10.331 -4.566 1.00 0.00 C ATOM 1060 OE1 GLN A 72 7.695 11.368 -4.141 1.00 0.00 O ATOM 1061 NE2 GLN A 72 7.580 9.886 -5.740 1.00 0.00 N ATOM 1062 OXT GLN A 72 3.911 11.775 -1.000 1.00 0.00 O ATOM 0 H GLN A 72 3.641 8.473 -3.514 1.00 0.00 H new ATOM 0 HA GLN A 72 4.818 8.790 -1.459 1.00 0.00 H new ATOM 0 HB2 GLN A 72 5.196 11.347 -3.141 1.00 0.00 H new ATOM 0 HB3 GLN A 72 6.344 10.755 -1.956 1.00 0.00 H new ATOM 0 HG2 GLN A 72 6.711 8.688 -3.259 1.00 0.00 H new ATOM 0 HG3 GLN A 72 5.441 9.125 -4.385 1.00 0.00 H new ATOM 0 HE21 GLN A 72 7.185 9.016 -6.096 1.00 0.00 H new ATOM 0 HE22 GLN A 72 8.252 10.409 -6.302 1.00 0.00 H new TER 1071 GLN A 72 HETATM 1072 HG HG A 73 -15.038 -2.368 2.059 1.00 0.00 HG