USER MOD reduce.3.24.130724 H: found=0, std=0, add=1001, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 1001 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 44 TYR OH : rot 15:sc= -0.49 USER MOD Set 1.2: A 111 MET CE :methyl 178:sc= -0.0616 (180deg=-0.0667) USER MOD Set 2.1: A 55 ASN : amide:sc= 0.367 K(o=0.79,f=-5.9!) USER MOD Set 2.2: A 59 LYS NZ :NH3+ 169:sc= 0.427 (180deg=0) USER MOD Single : A 1 ALA N :NH3+ 134:sc= 0.0305 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 42:sc= 0.0258 USER MOD Single : A 9 LYS NZ :NH3+ -156:sc= 0.0397 (180deg=-0.242) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0151) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -2.41 K(o=-2.4,f=-3.2) USER MOD Single : A 27 GLN : amide:sc= -4.68! C(o=-4.7!,f=-4!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot -150:sc= -0.112 USER MOD Single : A 37 LYS NZ :NH3+ -139:sc= -0.303 (180deg=-1) USER MOD Single : A 38 SER OG : rot -103:sc= 0.471 USER MOD Single : A 42 HIS : no HD1:sc= -2 K(o=-2,f=-3.3) USER MOD Single : A 49 HIS : no HD1:sc=-0.000395 X(o=-0.00039,f=0) USER MOD Single : A 56 ASN : amide:sc= -0.075 K(o=-0.075,f=-1.3!) USER MOD Single : A 67 TYR OH : rot -81:sc= 0.229 USER MOD Single : A 70 TYR OH : rot -65:sc= 0.466! USER MOD Single : A 74 LYS NZ :NH3+ -177:sc= -1.49 (180deg=-1.59) USER MOD Single : A 75 ASN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 80 LYS NZ :NH3+ -177:sc= -0.51 (180deg=-0.539) USER MOD Single : A 83 LYS NZ :NH3+ -154:sc= 0.293 (180deg=-0.26) USER MOD Single : A 84 THR OG1 : rot 180:sc= -0.105 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc= -0.126 K(o=-0.13,f=-1.5!) USER MOD Single : A 87 GLN : amide:sc= -1.28 X(o=-1.3,f=-1.4) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot 109:sc= 1.38 USER MOD Single : A 98 TYR OH : rot -167:sc= -0.71 USER MOD Single : A 100 ASN : amide:sc= -0.777! C(o=-0.78!,f=-5.9!) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 106 GLN : amide:sc= 0 X(o=0,f=-0.0045) USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 THR OG1 : rot -170:sc= -0.286 USER MOD Single : A 113 HIS : no HD1:sc= -6.85! C(o=-6.6!,f=-22!) USER MOD Single : A 114 SER OG : rot 136:sc= 0.984 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 ASN : amide:sc= -0.0116 K(o=-0.012,f=-1.1) USER MOD Single : A 120 ASN : amide:sc= -0.128 X(o=-0.13,f=0) USER MOD Single : A 121 GLN : amide:sc= -0.958 K(o=-0.96,f=0) USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -14.642 9.746 5.033 1.00 0.00 N ATOM 2 CA ALA A 1 -14.541 10.198 3.632 1.00 0.00 C ATOM 3 C ALA A 1 -13.758 9.183 2.808 1.00 0.00 C ATOM 4 O ALA A 1 -12.784 8.639 3.308 1.00 0.00 O ATOM 5 CB ALA A 1 -13.902 11.588 3.550 1.00 0.00 C ATOM 0 H1 ALA A 1 -14.422 10.538 5.670 1.00 0.00 H new ATOM 0 H2 ALA A 1 -15.608 9.409 5.220 1.00 0.00 H new ATOM 0 H3 ALA A 1 -13.967 8.972 5.197 1.00 0.00 H new ATOM 0 HA ALA A 1 -15.546 10.274 3.218 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -13.839 11.898 2.507 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -14.511 12.302 4.105 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -12.901 11.554 3.980 1.00 0.00 H new ATOM 13 N PRO A 2 -14.205 8.892 1.572 1.00 0.00 N ATOM 14 CA PRO A 2 -13.533 7.969 0.658 1.00 0.00 C ATOM 15 C PRO A 2 -12.219 8.511 0.081 1.00 0.00 C ATOM 16 O PRO A 2 -11.554 7.814 -0.679 1.00 0.00 O ATOM 17 CB PRO A 2 -14.524 7.696 -0.474 1.00 0.00 C ATOM 18 CG PRO A 2 -15.377 8.960 -0.495 1.00 0.00 C ATOM 19 CD PRO A 2 -15.423 9.400 0.964 1.00 0.00 C ATOM 0 HA PRO A 2 -13.253 7.070 1.206 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -14.016 7.536 -1.425 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -15.124 6.807 -0.279 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -14.936 9.728 -1.130 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -16.376 8.761 -0.883 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -15.475 10.486 1.043 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -16.305 9.001 1.465 1.00 0.00 H new ATOM 27 N ILE A 3 -11.849 9.733 0.448 1.00 0.00 N ATOM 28 CA ILE A 3 -10.630 10.413 0.043 1.00 0.00 C ATOM 29 C ILE A 3 -9.787 10.701 1.276 1.00 0.00 C ATOM 30 O ILE A 3 -10.291 11.285 2.234 1.00 0.00 O ATOM 31 CB ILE A 3 -10.959 11.705 -0.727 1.00 0.00 C ATOM 32 CG1 ILE A 3 -9.663 12.435 -1.154 1.00 0.00 C ATOM 33 CG2 ILE A 3 -11.878 12.659 0.060 1.00 0.00 C ATOM 34 CD1 ILE A 3 -9.142 11.973 -2.515 1.00 0.00 C ATOM 0 H ILE A 3 -12.423 10.303 1.069 1.00 0.00 H new ATOM 0 HA ILE A 3 -10.061 9.772 -0.630 1.00 0.00 H new ATOM 0 HB ILE A 3 -11.510 11.400 -1.617 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -9.850 13.508 -1.187 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -8.893 12.269 -0.400 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -12.073 13.551 -0.536 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -12.820 12.157 0.281 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -11.392 12.945 0.993 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -8.232 12.520 -2.761 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -8.925 10.905 -2.478 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -9.897 12.164 -3.278 1.00 0.00 H new ATOM 46 N VAL A 4 -8.531 10.277 1.236 1.00 0.00 N ATOM 47 CA VAL A 4 -7.560 10.521 2.290 1.00 0.00 C ATOM 48 C VAL A 4 -6.225 10.987 1.721 1.00 0.00 C ATOM 49 O VAL A 4 -6.130 11.235 0.510 1.00 0.00 O ATOM 50 CB VAL A 4 -7.426 9.286 3.184 1.00 0.00 C ATOM 51 CG1 VAL A 4 -8.749 8.912 3.839 1.00 0.00 C ATOM 52 CG2 VAL A 4 -6.841 8.053 2.496 1.00 0.00 C ATOM 0 H VAL A 4 -8.153 9.743 0.453 1.00 0.00 H new ATOM 0 HA VAL A 4 -7.920 11.337 2.917 1.00 0.00 H new ATOM 0 HB VAL A 4 -6.706 9.594 3.942 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -8.609 8.030 4.465 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -9.098 9.742 4.454 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -9.488 8.696 3.068 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -6.785 7.231 3.209 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -7.479 7.766 1.660 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -5.841 8.282 2.128 1.00 0.00 H new ATOM 62 N THR A 5 -5.219 11.182 2.573 1.00 0.00 N ATOM 63 CA THR A 5 -3.863 11.556 2.177 1.00 0.00 C ATOM 64 C THR A 5 -2.790 11.088 3.157 1.00 0.00 C ATOM 65 O THR A 5 -2.800 11.450 4.327 1.00 0.00 O ATOM 66 CB THR A 5 -3.700 13.061 1.970 1.00 0.00 C ATOM 67 OG1 THR A 5 -4.183 13.838 3.042 1.00 0.00 O ATOM 68 CG2 THR A 5 -4.404 13.530 0.700 1.00 0.00 C ATOM 0 H THR A 5 -5.328 11.082 3.582 1.00 0.00 H new ATOM 0 HA THR A 5 -3.718 11.040 1.228 1.00 0.00 H new ATOM 0 HB THR A 5 -2.623 13.210 1.894 1.00 0.00 H new ATOM 0 HG1 THR A 5 -3.921 13.423 3.891 1.00 0.00 H new ATOM 0 HG21 THR A 5 -4.267 14.605 0.584 1.00 0.00 H new ATOM 0 HG22 THR A 5 -3.980 13.015 -0.162 1.00 0.00 H new ATOM 0 HG23 THR A 5 -5.468 13.305 0.770 1.00 0.00 H new ATOM 76 N CYS A 6 -1.803 10.328 2.663 1.00 0.00 N ATOM 77 CA CYS A 6 -0.749 9.810 3.531 1.00 0.00 C ATOM 78 C CYS A 6 0.012 10.985 4.183 1.00 0.00 C ATOM 79 O CYS A 6 -0.032 12.108 3.671 1.00 0.00 O ATOM 80 CB CYS A 6 0.210 8.928 2.729 1.00 0.00 C ATOM 81 SG CYS A 6 -0.546 7.630 1.724 1.00 0.00 S ATOM 0 H CYS A 6 -1.716 10.064 1.682 1.00 0.00 H new ATOM 0 HA CYS A 6 -1.198 9.202 4.316 1.00 0.00 H new ATOM 0 HB2 CYS A 6 0.797 9.570 2.073 1.00 0.00 H new ATOM 0 HB3 CYS A 6 0.907 8.460 3.424 1.00 0.00 H new ATOM 86 N ARG A 7 0.798 10.726 5.236 1.00 0.00 N ATOM 87 CA ARG A 7 1.631 11.718 5.932 1.00 0.00 C ATOM 88 C ARG A 7 3.142 11.488 5.735 1.00 0.00 C ATOM 89 O ARG A 7 3.908 11.633 6.688 1.00 0.00 O ATOM 90 CB ARG A 7 1.214 11.753 7.407 1.00 0.00 C ATOM 91 CG ARG A 7 1.575 13.095 8.062 1.00 0.00 C ATOM 92 CD ARG A 7 1.154 13.098 9.525 1.00 0.00 C ATOM 93 NE ARG A 7 1.960 12.172 10.337 1.00 0.00 N ATOM 94 CZ ARG A 7 1.604 11.627 11.480 1.00 0.00 C ATOM 95 NH1 ARG A 7 0.433 11.869 12.002 1.00 0.00 N ATOM 96 NH2 ARG A 7 2.406 10.822 12.120 1.00 0.00 N ATOM 0 H ARG A 7 0.875 9.793 5.640 1.00 0.00 H new ATOM 0 HA ARG A 7 1.457 12.699 5.490 1.00 0.00 H new ATOM 0 HB2 ARG A 7 0.140 11.585 7.487 1.00 0.00 H new ATOM 0 HB3 ARG A 7 1.704 10.941 7.944 1.00 0.00 H new ATOM 0 HG2 ARG A 7 2.648 13.268 7.985 1.00 0.00 H new ATOM 0 HG3 ARG A 7 1.082 13.910 7.533 1.00 0.00 H new ATOM 0 HD2 ARG A 7 1.248 14.107 9.926 1.00 0.00 H new ATOM 0 HD3 ARG A 7 0.102 12.822 9.599 1.00 0.00 H new ATOM 0 HE ARG A 7 2.884 11.930 9.979 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -0.221 12.488 11.523 1.00 0.00 H new ATOM 0 HH12 ARG A 7 0.171 11.439 12.889 1.00 0.00 H new ATOM 0 HH21 ARG A 7 3.326 10.606 11.735 1.00 0.00 H new ATOM 0 HH22 ARG A 7 2.114 10.408 13.005 1.00 0.00 H new ATOM 110 N PRO A 8 3.597 11.220 4.491 1.00 0.00 N ATOM 111 CA PRO A 8 4.998 11.001 4.168 1.00 0.00 C ATOM 112 C PRO A 8 5.833 12.247 4.420 1.00 0.00 C ATOM 113 O PRO A 8 5.355 13.388 4.352 1.00 0.00 O ATOM 114 CB PRO A 8 5.034 10.610 2.693 1.00 0.00 C ATOM 115 CG PRO A 8 3.821 11.300 2.118 1.00 0.00 C ATOM 116 CD PRO A 8 2.832 11.241 3.266 1.00 0.00 C ATOM 0 HA PRO A 8 5.425 10.222 4.800 1.00 0.00 H new ATOM 0 HB2 PRO A 8 5.953 10.945 2.211 1.00 0.00 H new ATOM 0 HB3 PRO A 8 4.981 9.529 2.562 1.00 0.00 H new ATOM 0 HG2 PRO A 8 4.040 12.326 1.824 1.00 0.00 H new ATOM 0 HG3 PRO A 8 3.445 10.788 1.232 1.00 0.00 H new ATOM 0 HD2 PRO A 8 2.166 12.103 3.244 1.00 0.00 H new ATOM 0 HD3 PRO A 8 2.206 10.352 3.189 1.00 0.00 H new ATOM 124 N LYS A 9 7.128 12.025 4.630 1.00 0.00 N ATOM 125 CA LYS A 9 8.115 13.074 4.821 1.00 0.00 C ATOM 126 C LYS A 9 9.030 13.125 3.605 1.00 0.00 C ATOM 127 O LYS A 9 9.581 12.110 3.176 1.00 0.00 O ATOM 128 CB LYS A 9 8.840 12.842 6.150 1.00 0.00 C ATOM 129 CG LYS A 9 10.065 13.749 6.317 1.00 0.00 C ATOM 130 CD LYS A 9 11.032 13.194 7.367 1.00 0.00 C ATOM 131 CE LYS A 9 12.481 13.560 7.032 1.00 0.00 C ATOM 132 NZ LYS A 9 12.964 12.829 5.831 1.00 0.00 N ATOM 0 H LYS A 9 7.526 11.087 4.672 1.00 0.00 H new ATOM 0 HA LYS A 9 7.652 14.058 4.894 1.00 0.00 H new ATOM 0 HB2 LYS A 9 8.147 13.017 6.973 1.00 0.00 H new ATOM 0 HB3 LYS A 9 9.153 11.800 6.213 1.00 0.00 H new ATOM 0 HG2 LYS A 9 10.580 13.847 5.361 1.00 0.00 H new ATOM 0 HG3 LYS A 9 9.743 14.748 6.609 1.00 0.00 H new ATOM 0 HD2 LYS A 9 10.772 13.588 8.349 1.00 0.00 H new ATOM 0 HD3 LYS A 9 10.931 12.110 7.422 1.00 0.00 H new ATOM 0 HE2 LYS A 9 12.556 14.634 6.860 1.00 0.00 H new ATOM 0 HE3 LYS A 9 13.122 13.328 7.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 14.002 12.765 5.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 12.558 11.872 5.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 12.671 13.339 4.973 1.00 0.00 H new ATOM 146 N LEU A 10 9.178 14.334 3.066 1.00 0.00 N ATOM 147 CA LEU A 10 10.149 14.592 2.010 1.00 0.00 C ATOM 148 C LEU A 10 11.544 14.787 2.630 1.00 0.00 C ATOM 149 O LEU A 10 12.319 13.845 2.810 1.00 0.00 O ATOM 150 CB LEU A 10 9.668 15.765 1.130 1.00 0.00 C ATOM 151 CG LEU A 10 10.402 15.929 -0.227 1.00 0.00 C ATOM 152 CD1 LEU A 10 11.848 15.414 -0.266 1.00 0.00 C ATOM 153 CD2 LEU A 10 9.574 15.318 -1.362 1.00 0.00 C ATOM 0 H LEU A 10 8.635 15.151 3.346 1.00 0.00 H new ATOM 0 HA LEU A 10 10.235 13.737 1.339 1.00 0.00 H new ATOM 0 HB2 LEU A 10 8.604 15.636 0.934 1.00 0.00 H new ATOM 0 HB3 LEU A 10 9.778 16.690 1.696 1.00 0.00 H new ATOM 0 HG LEU A 10 10.494 17.006 -0.366 1.00 0.00 H new ATOM 0 HD11 LEU A 10 12.266 15.578 -1.259 1.00 0.00 H new ATOM 0 HD12 LEU A 10 12.445 15.950 0.472 1.00 0.00 H new ATOM 0 HD13 LEU A 10 11.861 14.348 -0.038 1.00 0.00 H new ATOM 0 HD21 LEU A 10 10.104 15.442 -2.306 1.00 0.00 H new ATOM 0 HD22 LEU A 10 9.420 14.256 -1.169 1.00 0.00 H new ATOM 0 HD23 LEU A 10 8.608 15.820 -1.419 1.00 0.00 H new ATOM 165 N ASP A 11 11.798 16.004 3.108 1.00 0.00 N ATOM 166 CA ASP A 11 13.102 16.456 3.613 1.00 0.00 C ATOM 167 C ASP A 11 12.992 17.072 5.013 1.00 0.00 C ATOM 168 O ASP A 11 13.714 17.985 5.393 1.00 0.00 O ATOM 169 CB ASP A 11 13.788 17.423 2.629 1.00 0.00 C ATOM 170 CG ASP A 11 15.317 17.334 2.733 1.00 0.00 C ATOM 171 OD1 ASP A 11 15.809 16.239 3.100 1.00 0.00 O ATOM 172 OD2 ASP A 11 15.978 18.346 2.427 1.00 0.00 O ATOM 0 H ASP A 11 11.082 16.729 3.158 1.00 0.00 H new ATOM 0 HA ASP A 11 13.732 15.571 3.698 1.00 0.00 H new ATOM 0 HB2 ASP A 11 13.477 17.190 1.611 1.00 0.00 H new ATOM 0 HB3 ASP A 11 13.466 18.444 2.835 1.00 0.00 H new ATOM 177 N GLY A 12 12.011 16.604 5.782 1.00 0.00 N ATOM 178 CA GLY A 12 11.752 17.096 7.132 1.00 0.00 C ATOM 179 C GLY A 12 10.312 17.530 7.342 1.00 0.00 C ATOM 180 O GLY A 12 9.779 17.358 8.430 1.00 0.00 O ATOM 0 H GLY A 12 11.370 15.869 5.484 1.00 0.00 H new ATOM 0 HA2 GLY A 12 11.998 16.314 7.851 1.00 0.00 H new ATOM 0 HA3 GLY A 12 12.413 17.938 7.338 1.00 0.00 H new ATOM 184 N ARG A 13 9.670 18.074 6.301 1.00 0.00 N ATOM 185 CA ARG A 13 8.256 18.466 6.351 1.00 0.00 C ATOM 186 C ARG A 13 7.344 17.316 5.938 1.00 0.00 C ATOM 187 O ARG A 13 7.730 16.486 5.113 1.00 0.00 O ATOM 188 CB ARG A 13 8.027 19.705 5.482 1.00 0.00 C ATOM 189 CG ARG A 13 8.127 19.407 3.979 1.00 0.00 C ATOM 190 CD ARG A 13 7.984 20.685 3.161 1.00 0.00 C ATOM 191 NE ARG A 13 6.575 21.058 2.945 1.00 0.00 N ATOM 192 CZ ARG A 13 6.164 22.028 2.152 1.00 0.00 C ATOM 193 NH1 ARG A 13 7.012 22.778 1.506 1.00 0.00 N ATOM 194 NH2 ARG A 13 4.890 22.267 1.993 1.00 0.00 N ATOM 0 H ARG A 13 10.115 18.255 5.401 1.00 0.00 H new ATOM 0 HA ARG A 13 8.002 18.716 7.381 1.00 0.00 H new ATOM 0 HB2 ARG A 13 7.043 20.119 5.701 1.00 0.00 H new ATOM 0 HB3 ARG A 13 8.759 20.468 5.746 1.00 0.00 H new ATOM 0 HG2 ARG A 13 9.085 18.936 3.760 1.00 0.00 H new ATOM 0 HG3 ARG A 13 7.350 18.698 3.692 1.00 0.00 H new ATOM 0 HD2 ARG A 13 8.499 21.499 3.671 1.00 0.00 H new ATOM 0 HD3 ARG A 13 8.474 20.553 2.196 1.00 0.00 H new ATOM 0 HE ARG A 13 5.864 20.526 3.447 1.00 0.00 H new ATOM 0 HH11 ARG A 13 8.014 22.620 1.609 1.00 0.00 H new ATOM 0 HH12 ARG A 13 6.673 23.523 0.897 1.00 0.00 H new ATOM 0 HH21 ARG A 13 4.199 21.700 2.485 1.00 0.00 H new ATOM 0 HH22 ARG A 13 4.586 23.020 1.377 1.00 0.00 H new ATOM 208 N GLU A 14 6.120 17.332 6.437 1.00 0.00 N ATOM 209 CA GLU A 14 5.100 16.336 6.126 1.00 0.00 C ATOM 210 C GLU A 14 4.254 16.824 4.951 1.00 0.00 C ATOM 211 O GLU A 14 3.733 17.948 4.962 1.00 0.00 O ATOM 212 CB GLU A 14 4.224 16.070 7.351 1.00 0.00 C ATOM 213 CG GLU A 14 5.013 15.467 8.525 1.00 0.00 C ATOM 214 CD GLU A 14 4.218 15.460 9.845 1.00 0.00 C ATOM 215 OE1 GLU A 14 3.279 16.279 9.969 1.00 0.00 O ATOM 216 OE2 GLU A 14 4.534 14.616 10.714 1.00 0.00 O ATOM 0 H GLU A 14 5.797 18.052 7.084 1.00 0.00 H new ATOM 0 HA GLU A 14 5.584 15.399 5.849 1.00 0.00 H new ATOM 0 HB2 GLU A 14 3.761 17.003 7.671 1.00 0.00 H new ATOM 0 HB3 GLU A 14 3.417 15.392 7.075 1.00 0.00 H new ATOM 0 HG2 GLU A 14 5.301 14.446 8.275 1.00 0.00 H new ATOM 0 HG3 GLU A 14 5.934 16.033 8.665 1.00 0.00 H new ATOM 223 N LYS A 15 4.167 16.018 3.892 1.00 0.00 N ATOM 224 CA LYS A 15 3.374 16.355 2.710 1.00 0.00 C ATOM 225 C LYS A 15 2.242 15.350 2.482 1.00 0.00 C ATOM 226 O LYS A 15 2.511 14.167 2.411 1.00 0.00 O ATOM 227 CB LYS A 15 4.279 16.453 1.474 1.00 0.00 C ATOM 228 CG LYS A 15 3.719 17.425 0.427 1.00 0.00 C ATOM 229 CD LYS A 15 3.785 18.886 0.917 1.00 0.00 C ATOM 230 CE LYS A 15 3.283 19.856 -0.154 1.00 0.00 C ATOM 231 NZ LYS A 15 1.820 20.099 -0.049 1.00 0.00 N ATOM 0 H LYS A 15 4.642 15.117 3.830 1.00 0.00 H new ATOM 0 HA LYS A 15 2.911 17.327 2.882 1.00 0.00 H new ATOM 0 HB2 LYS A 15 5.273 16.781 1.778 1.00 0.00 H new ATOM 0 HB3 LYS A 15 4.392 15.465 1.028 1.00 0.00 H new ATOM 0 HG2 LYS A 15 4.283 17.326 -0.501 1.00 0.00 H new ATOM 0 HG3 LYS A 15 2.685 17.162 0.202 1.00 0.00 H new ATOM 0 HD2 LYS A 15 3.185 18.996 1.820 1.00 0.00 H new ATOM 0 HD3 LYS A 15 4.812 19.136 1.184 1.00 0.00 H new ATOM 0 HE2 LYS A 15 3.815 20.803 -0.062 1.00 0.00 H new ATOM 0 HE3 LYS A 15 3.513 19.456 -1.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 1.524 20.762 -0.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 1.310 19.200 -0.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 1.602 20.506 0.883 1.00 0.00 H new ATOM 245 N PRO A 16 0.999 15.819 2.286 1.00 0.00 N ATOM 246 CA PRO A 16 -0.151 14.951 2.064 1.00 0.00 C ATOM 247 C PRO A 16 -0.039 14.200 0.740 1.00 0.00 C ATOM 248 O PRO A 16 -0.009 14.826 -0.329 1.00 0.00 O ATOM 249 CB PRO A 16 -1.373 15.864 2.089 1.00 0.00 C ATOM 250 CG PRO A 16 -0.813 17.226 1.696 1.00 0.00 C ATOM 251 CD PRO A 16 0.600 17.212 2.259 1.00 0.00 C ATOM 0 HA PRO A 16 -0.218 14.180 2.832 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -2.138 15.528 1.389 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -1.834 15.890 3.077 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -0.812 17.361 0.614 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -1.404 18.039 2.118 1.00 0.00 H new ATOM 0 HD2 PRO A 16 1.275 17.800 1.637 1.00 0.00 H new ATOM 0 HD3 PRO A 16 0.627 17.646 3.258 1.00 0.00 H new ATOM 259 N PHE A 17 0.014 12.874 0.780 1.00 0.00 N ATOM 260 CA PHE A 17 0.075 12.078 -0.441 1.00 0.00 C ATOM 261 C PHE A 17 -1.331 11.715 -0.910 1.00 0.00 C ATOM 262 O PHE A 17 -2.010 10.976 -0.221 1.00 0.00 O ATOM 263 CB PHE A 17 0.897 10.804 -0.227 1.00 0.00 C ATOM 264 CG PHE A 17 1.816 10.448 -1.371 1.00 0.00 C ATOM 265 CD1 PHE A 17 1.552 10.896 -2.678 1.00 0.00 C ATOM 266 CD2 PHE A 17 2.948 9.651 -1.132 1.00 0.00 C ATOM 267 CE1 PHE A 17 2.446 10.621 -3.714 1.00 0.00 C ATOM 268 CE2 PHE A 17 3.850 9.379 -2.167 1.00 0.00 C ATOM 269 CZ PHE A 17 3.601 9.875 -3.455 1.00 0.00 C ATOM 0 H PHE A 17 0.016 12.328 1.642 1.00 0.00 H new ATOM 0 HA PHE A 17 0.564 12.679 -1.208 1.00 0.00 H new ATOM 0 HB2 PHE A 17 1.493 10.920 0.678 1.00 0.00 H new ATOM 0 HB3 PHE A 17 0.214 9.972 -0.054 1.00 0.00 H new ATOM 0 HD1 PHE A 17 0.651 11.457 -2.881 1.00 0.00 H new ATOM 0 HD2 PHE A 17 3.123 9.247 -0.146 1.00 0.00 H new ATOM 0 HE1 PHE A 17 2.247 10.983 -4.712 1.00 0.00 H new ATOM 0 HE2 PHE A 17 4.734 8.790 -1.975 1.00 0.00 H new ATOM 0 HZ PHE A 17 4.304 9.680 -4.251 1.00 0.00 H new ATOM 279 N LYS A 18 -1.784 12.228 -2.058 1.00 0.00 N ATOM 280 CA LYS A 18 -3.105 11.921 -2.641 1.00 0.00 C ATOM 281 C LYS A 18 -3.386 10.414 -2.644 1.00 0.00 C ATOM 282 O LYS A 18 -2.736 9.707 -3.404 1.00 0.00 O ATOM 283 CB LYS A 18 -3.169 12.431 -4.083 1.00 0.00 C ATOM 284 CG LYS A 18 -3.026 13.949 -4.191 1.00 0.00 C ATOM 285 CD LYS A 18 -4.380 14.654 -4.054 1.00 0.00 C ATOM 286 CE LYS A 18 -4.320 16.059 -4.651 1.00 0.00 C ATOM 287 NZ LYS A 18 -3.369 16.929 -3.918 1.00 0.00 N ATOM 0 H LYS A 18 -1.238 12.880 -2.622 1.00 0.00 H new ATOM 0 HA LYS A 18 -3.856 12.416 -2.026 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -2.379 11.956 -4.665 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -4.118 12.129 -4.527 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -2.348 14.307 -3.416 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -2.577 14.205 -5.151 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -5.151 14.072 -4.558 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -4.661 14.712 -3.002 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -4.023 15.997 -5.698 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -5.314 16.506 -4.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -3.431 17.899 -4.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -3.607 16.928 -2.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -2.401 16.571 -4.047 1.00 0.00 H new ATOM 301 N VAL A 19 -4.335 9.950 -1.840 1.00 0.00 N ATOM 302 CA VAL A 19 -4.703 8.540 -1.717 1.00 0.00 C ATOM 303 C VAL A 19 -6.183 8.397 -1.374 1.00 0.00 C ATOM 304 O VAL A 19 -6.638 8.735 -0.295 1.00 0.00 O ATOM 305 CB VAL A 19 -3.836 7.800 -0.680 1.00 0.00 C ATOM 306 CG1 VAL A 19 -2.402 7.602 -1.191 1.00 0.00 C ATOM 307 CG2 VAL A 19 -3.789 8.501 0.678 1.00 0.00 C ATOM 0 H VAL A 19 -4.887 10.560 -1.237 1.00 0.00 H new ATOM 0 HA VAL A 19 -4.518 8.075 -2.686 1.00 0.00 H new ATOM 0 HB VAL A 19 -4.317 6.832 -0.539 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.816 7.077 -0.436 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.421 7.015 -2.109 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -1.950 8.573 -1.391 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -3.162 7.928 1.362 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -3.374 9.502 0.557 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -4.798 8.574 1.085 1.00 0.00 H new ATOM 317 N ASP A 20 -6.975 7.912 -2.304 1.00 0.00 N ATOM 318 CA ASP A 20 -8.387 7.634 -2.113 1.00 0.00 C ATOM 319 C ASP A 20 -8.609 6.192 -1.658 1.00 0.00 C ATOM 320 O ASP A 20 -8.126 5.234 -2.265 1.00 0.00 O ATOM 321 CB ASP A 20 -9.184 7.953 -3.379 1.00 0.00 C ATOM 322 CG ASP A 20 -8.426 7.758 -4.697 1.00 0.00 C ATOM 323 OD1 ASP A 20 -7.441 6.993 -4.742 1.00 0.00 O ATOM 324 OD2 ASP A 20 -8.836 8.386 -5.687 1.00 0.00 O ATOM 0 H ASP A 20 -6.647 7.692 -3.244 1.00 0.00 H new ATOM 0 HA ASP A 20 -8.754 8.286 -1.320 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -10.075 7.325 -3.395 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -9.523 8.987 -3.324 1.00 0.00 H new ATOM 329 N VAL A 21 -9.380 6.039 -0.580 1.00 0.00 N ATOM 330 CA VAL A 21 -9.775 4.745 -0.040 1.00 0.00 C ATOM 331 C VAL A 21 -10.436 3.870 -1.100 1.00 0.00 C ATOM 332 O VAL A 21 -10.209 2.667 -1.143 1.00 0.00 O ATOM 333 CB VAL A 21 -10.714 4.888 1.173 1.00 0.00 C ATOM 334 CG1 VAL A 21 -10.426 6.125 2.041 1.00 0.00 C ATOM 335 CG2 VAL A 21 -12.214 4.820 0.833 1.00 0.00 C ATOM 0 H VAL A 21 -9.752 6.828 -0.051 1.00 0.00 H new ATOM 0 HA VAL A 21 -8.857 4.260 0.291 1.00 0.00 H new ATOM 0 HB VAL A 21 -10.478 4.002 1.763 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -11.128 6.156 2.874 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -9.408 6.070 2.426 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -10.538 7.026 1.438 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -12.799 4.930 1.746 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -12.467 5.623 0.141 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -12.439 3.859 0.371 1.00 0.00 H new ATOM 345 N ALA A 22 -11.280 4.483 -1.941 1.00 0.00 N ATOM 346 CA ALA A 22 -12.024 3.810 -2.992 1.00 0.00 C ATOM 347 C ALA A 22 -11.073 3.054 -3.915 1.00 0.00 C ATOM 348 O ALA A 22 -11.226 1.851 -4.125 1.00 0.00 O ATOM 349 CB ALA A 22 -12.882 4.822 -3.774 1.00 0.00 C ATOM 0 H ALA A 22 -11.462 5.486 -1.901 1.00 0.00 H new ATOM 0 HA ALA A 22 -12.697 3.083 -2.539 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -13.433 4.303 -4.558 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -13.585 5.305 -3.095 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -12.236 5.576 -4.224 1.00 0.00 H new ATOM 355 N THR A 23 -10.067 3.764 -4.413 1.00 0.00 N ATOM 356 CA THR A 23 -9.033 3.185 -5.250 1.00 0.00 C ATOM 357 C THR A 23 -8.275 2.124 -4.477 1.00 0.00 C ATOM 358 O THR A 23 -8.214 0.981 -4.917 1.00 0.00 O ATOM 359 CB THR A 23 -8.082 4.255 -5.753 1.00 0.00 C ATOM 360 OG1 THR A 23 -8.856 5.163 -6.503 1.00 0.00 O ATOM 361 CG2 THR A 23 -6.959 3.685 -6.602 1.00 0.00 C ATOM 0 H THR A 23 -9.949 4.763 -4.244 1.00 0.00 H new ATOM 0 HA THR A 23 -9.507 2.722 -6.115 1.00 0.00 H new ATOM 0 HB THR A 23 -7.596 4.741 -4.907 1.00 0.00 H new ATOM 0 HG1 THR A 23 -8.280 5.877 -6.848 1.00 0.00 H new ATOM 0 HG21 THR A 23 -6.309 4.494 -6.935 1.00 0.00 H new ATOM 0 HG22 THR A 23 -6.381 2.974 -6.011 1.00 0.00 H new ATOM 0 HG23 THR A 23 -7.380 3.177 -7.470 1.00 0.00 H new ATOM 369 N ALA A 24 -7.708 2.464 -3.316 1.00 0.00 N ATOM 370 CA ALA A 24 -6.931 1.507 -2.542 1.00 0.00 C ATOM 371 C ALA A 24 -7.671 0.181 -2.303 1.00 0.00 C ATOM 372 O ALA A 24 -7.154 -0.894 -2.608 1.00 0.00 O ATOM 373 CB ALA A 24 -6.554 2.145 -1.218 1.00 0.00 C ATOM 0 H ALA A 24 -7.775 3.392 -2.898 1.00 0.00 H new ATOM 0 HA ALA A 24 -6.040 1.257 -3.119 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -5.971 1.439 -0.627 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -5.961 3.041 -1.402 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -7.459 2.414 -0.673 1.00 0.00 H new ATOM 379 N GLN A 25 -8.904 0.262 -1.805 1.00 0.00 N ATOM 380 CA GLN A 25 -9.783 -0.882 -1.600 1.00 0.00 C ATOM 381 C GLN A 25 -9.990 -1.642 -2.907 1.00 0.00 C ATOM 382 O GLN A 25 -9.880 -2.870 -2.917 1.00 0.00 O ATOM 383 CB GLN A 25 -11.135 -0.418 -1.041 1.00 0.00 C ATOM 384 CG GLN A 25 -12.215 -1.518 -0.984 1.00 0.00 C ATOM 385 CD GLN A 25 -12.220 -2.262 0.335 1.00 0.00 C ATOM 386 OE1 GLN A 25 -11.716 -3.360 0.476 1.00 0.00 O ATOM 387 NE2 GLN A 25 -12.775 -1.672 1.366 1.00 0.00 N ATOM 0 H GLN A 25 -9.327 1.148 -1.527 1.00 0.00 H new ATOM 0 HA GLN A 25 -9.313 -1.552 -0.880 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -10.982 -0.024 -0.036 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -11.504 0.405 -1.654 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -13.195 -1.069 -1.147 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -12.050 -2.226 -1.796 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -13.200 -0.751 1.259 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -12.781 -2.134 2.275 1.00 0.00 H new ATOM 396 N ALA A 26 -10.317 -0.931 -3.992 1.00 0.00 N ATOM 397 CA ALA A 26 -10.522 -1.528 -5.301 1.00 0.00 C ATOM 398 C ALA A 26 -9.353 -2.430 -5.673 1.00 0.00 C ATOM 399 O ALA A 26 -9.580 -3.598 -5.971 1.00 0.00 O ATOM 400 CB ALA A 26 -10.780 -0.460 -6.374 1.00 0.00 C ATOM 0 H ALA A 26 -10.446 0.081 -3.978 1.00 0.00 H new ATOM 0 HA ALA A 26 -11.417 -2.149 -5.250 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -10.929 -0.943 -7.340 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -11.671 0.111 -6.113 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -9.923 0.212 -6.432 1.00 0.00 H new ATOM 406 N GLN A 27 -8.126 -1.929 -5.576 1.00 0.00 N ATOM 407 CA GLN A 27 -6.923 -2.677 -5.907 1.00 0.00 C ATOM 408 C GLN A 27 -6.752 -3.925 -5.040 1.00 0.00 C ATOM 409 O GLN A 27 -6.495 -5.015 -5.549 1.00 0.00 O ATOM 410 CB GLN A 27 -5.702 -1.788 -5.731 1.00 0.00 C ATOM 411 CG GLN A 27 -5.791 -0.466 -6.477 1.00 0.00 C ATOM 412 CD GLN A 27 -5.512 -0.611 -7.963 1.00 0.00 C ATOM 413 OE1 GLN A 27 -6.378 -0.451 -8.803 1.00 0.00 O ATOM 414 NE2 GLN A 27 -4.284 -0.899 -8.330 1.00 0.00 N ATOM 0 H GLN A 27 -7.939 -0.977 -5.260 1.00 0.00 H new ATOM 0 HA GLN A 27 -7.023 -2.999 -6.944 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -5.561 -1.586 -4.669 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -4.819 -2.328 -6.072 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -6.785 -0.041 -6.338 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -5.080 0.239 -6.045 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -3.559 -1.033 -7.625 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -4.055 -0.989 -9.320 1.00 0.00 H new ATOM 423 N ALA A 28 -6.921 -3.758 -3.729 1.00 0.00 N ATOM 424 CA ALA A 28 -6.853 -4.837 -2.759 1.00 0.00 C ATOM 425 C ALA A 28 -7.775 -5.992 -3.143 1.00 0.00 C ATOM 426 O ALA A 28 -7.347 -7.139 -3.269 1.00 0.00 O ATOM 427 CB ALA A 28 -7.217 -4.301 -1.372 1.00 0.00 C ATOM 0 H ALA A 28 -7.113 -2.849 -3.309 1.00 0.00 H new ATOM 0 HA ALA A 28 -5.834 -5.223 -2.744 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -7.166 -5.111 -0.644 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -6.516 -3.515 -1.090 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -8.228 -3.895 -1.393 1.00 0.00 H new ATOM 433 N ARG A 29 -9.060 -5.682 -3.340 1.00 0.00 N ATOM 434 CA ARG A 29 -10.056 -6.667 -3.744 1.00 0.00 C ATOM 435 C ARG A 29 -9.785 -7.219 -5.138 1.00 0.00 C ATOM 436 O ARG A 29 -9.959 -8.412 -5.358 1.00 0.00 O ATOM 437 CB ARG A 29 -11.450 -6.046 -3.666 1.00 0.00 C ATOM 438 CG ARG A 29 -12.531 -7.073 -4.014 1.00 0.00 C ATOM 439 CD ARG A 29 -13.906 -6.576 -3.584 1.00 0.00 C ATOM 440 NE ARG A 29 -14.228 -6.963 -2.197 1.00 0.00 N ATOM 441 CZ ARG A 29 -15.446 -7.093 -1.699 1.00 0.00 C ATOM 442 NH1 ARG A 29 -16.501 -6.864 -2.430 1.00 0.00 N ATOM 443 NH2 ARG A 29 -15.637 -7.451 -0.465 1.00 0.00 N ATOM 0 H ARG A 29 -9.434 -4.740 -3.223 1.00 0.00 H new ATOM 0 HA ARG A 29 -9.996 -7.511 -3.056 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -11.623 -5.657 -2.662 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -11.514 -5.200 -4.351 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -12.527 -7.263 -5.087 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -12.311 -8.020 -3.522 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -13.943 -5.490 -3.675 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -14.663 -6.978 -4.257 1.00 0.00 H new ATOM 0 HE ARG A 29 -13.445 -7.146 -1.569 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -16.395 -6.579 -3.404 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -17.433 -6.970 -2.028 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -14.838 -7.638 0.141 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -16.586 -7.545 -0.102 1.00 0.00 H new ATOM 457 N LYS A 30 -9.411 -6.345 -6.075 1.00 0.00 N ATOM 458 CA LYS A 30 -9.119 -6.678 -7.467 1.00 0.00 C ATOM 459 C LYS A 30 -8.089 -7.788 -7.551 1.00 0.00 C ATOM 460 O LYS A 30 -8.329 -8.790 -8.224 1.00 0.00 O ATOM 461 CB LYS A 30 -8.623 -5.442 -8.251 1.00 0.00 C ATOM 462 CG LYS A 30 -8.574 -5.680 -9.764 1.00 0.00 C ATOM 463 CD LYS A 30 -9.996 -5.712 -10.342 1.00 0.00 C ATOM 464 CE LYS A 30 -9.971 -6.139 -11.805 1.00 0.00 C ATOM 465 NZ LYS A 30 -11.338 -6.153 -12.385 1.00 0.00 N ATOM 0 H LYS A 30 -9.300 -5.351 -5.876 1.00 0.00 H new ATOM 0 HA LYS A 30 -10.049 -7.022 -7.920 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -9.279 -4.597 -8.042 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -7.629 -5.168 -7.898 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -7.996 -4.891 -10.245 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -8.066 -6.621 -9.975 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -10.613 -6.402 -9.767 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -10.453 -4.726 -10.253 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -9.339 -5.458 -12.374 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -9.527 -7.131 -11.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -11.289 -6.447 -13.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -11.933 -6.821 -11.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -11.750 -5.200 -12.325 1.00 0.00 H new ATOM 479 N ALA A 31 -6.950 -7.588 -6.903 1.00 0.00 N ATOM 480 CA ALA A 31 -5.900 -8.583 -6.827 1.00 0.00 C ATOM 481 C ALA A 31 -6.312 -9.782 -5.963 1.00 0.00 C ATOM 482 O ALA A 31 -5.948 -10.917 -6.285 1.00 0.00 O ATOM 483 CB ALA A 31 -4.618 -7.923 -6.317 1.00 0.00 C ATOM 0 H ALA A 31 -6.731 -6.721 -6.412 1.00 0.00 H new ATOM 0 HA ALA A 31 -5.717 -8.981 -7.825 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -3.824 -8.668 -6.258 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -4.320 -7.129 -7.002 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -4.795 -7.502 -5.327 1.00 0.00 H new ATOM 489 N GLY A 32 -7.084 -9.546 -4.903 1.00 0.00 N ATOM 490 CA GLY A 32 -7.514 -10.578 -3.978 1.00 0.00 C ATOM 491 C GLY A 32 -6.380 -11.000 -3.057 1.00 0.00 C ATOM 492 O GLY A 32 -5.451 -10.239 -2.817 1.00 0.00 O ATOM 0 H GLY A 32 -7.430 -8.617 -4.665 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -8.351 -10.211 -3.384 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -7.874 -11.443 -4.536 1.00 0.00 H new ATOM 496 N LEU A 33 -6.461 -12.212 -2.519 1.00 0.00 N ATOM 497 CA LEU A 33 -5.500 -12.740 -1.549 1.00 0.00 C ATOM 498 C LEU A 33 -4.751 -13.956 -2.102 1.00 0.00 C ATOM 499 O LEU A 33 -4.541 -14.950 -1.410 1.00 0.00 O ATOM 500 CB LEU A 33 -6.206 -13.076 -0.239 1.00 0.00 C ATOM 501 CG LEU A 33 -7.182 -12.016 0.295 1.00 0.00 C ATOM 502 CD1 LEU A 33 -8.238 -12.724 1.100 1.00 0.00 C ATOM 503 CD2 LEU A 33 -6.488 -11.036 1.215 1.00 0.00 C ATOM 0 H LEU A 33 -7.208 -12.869 -2.747 1.00 0.00 H new ATOM 0 HA LEU A 33 -4.756 -11.968 -1.354 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -6.753 -14.009 -0.374 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -5.448 -13.258 0.522 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.599 -11.471 -0.552 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -8.946 -11.994 1.492 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -8.765 -13.435 0.464 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -7.769 -13.256 1.928 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -7.208 -10.301 1.574 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -6.063 -11.572 2.064 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.691 -10.528 0.671 1.00 0.00 H new ATOM 515 N THR A 34 -4.395 -13.892 -3.382 1.00 0.00 N ATOM 516 CA THR A 34 -3.749 -15.003 -4.071 1.00 0.00 C ATOM 517 C THR A 34 -2.821 -14.487 -5.159 1.00 0.00 C ATOM 518 O THR A 34 -3.256 -13.819 -6.102 1.00 0.00 O ATOM 519 CB THR A 34 -4.771 -15.966 -4.697 1.00 0.00 C ATOM 520 OG1 THR A 34 -5.750 -16.407 -3.788 1.00 0.00 O ATOM 521 CG2 THR A 34 -4.070 -17.231 -5.182 1.00 0.00 C ATOM 0 H THR A 34 -4.546 -13.071 -3.968 1.00 0.00 H new ATOM 0 HA THR A 34 -3.176 -15.550 -3.322 1.00 0.00 H new ATOM 0 HB THR A 34 -5.240 -15.401 -5.502 1.00 0.00 H new ATOM 0 HG1 THR A 34 -6.370 -17.014 -4.244 1.00 0.00 H new ATOM 0 HG21 THR A 34 -4.803 -17.906 -5.624 1.00 0.00 H new ATOM 0 HG22 THR A 34 -3.322 -16.968 -5.930 1.00 0.00 H new ATOM 0 HG23 THR A 34 -3.584 -17.723 -4.340 1.00 0.00 H new ATOM 529 N THR A 35 -1.544 -14.842 -5.063 1.00 0.00 N ATOM 530 CA THR A 35 -0.536 -14.495 -6.061 1.00 0.00 C ATOM 531 C THR A 35 -0.002 -15.725 -6.774 1.00 0.00 C ATOM 532 O THR A 35 -0.172 -16.844 -6.301 1.00 0.00 O ATOM 533 CB THR A 35 0.604 -13.724 -5.418 1.00 0.00 C ATOM 534 OG1 THR A 35 1.443 -13.220 -6.431 1.00 0.00 O ATOM 535 CG2 THR A 35 1.470 -14.519 -4.435 1.00 0.00 C ATOM 0 H THR A 35 -1.175 -15.385 -4.282 1.00 0.00 H new ATOM 0 HA THR A 35 -1.018 -13.863 -6.807 1.00 0.00 H new ATOM 0 HB THR A 35 0.124 -12.941 -4.831 1.00 0.00 H new ATOM 0 HG1 THR A 35 2.361 -13.157 -6.094 1.00 0.00 H new ATOM 0 HG21 THR A 35 2.252 -13.874 -4.035 1.00 0.00 H new ATOM 0 HG22 THR A 35 0.849 -14.886 -3.618 1.00 0.00 H new ATOM 0 HG23 THR A 35 1.925 -15.364 -4.952 1.00 0.00 H new ATOM 543 N GLY A 36 0.661 -15.503 -7.903 1.00 0.00 N ATOM 544 CA GLY A 36 1.353 -16.562 -8.630 1.00 0.00 C ATOM 545 C GLY A 36 1.686 -16.214 -10.070 1.00 0.00 C ATOM 546 O GLY A 36 2.546 -16.840 -10.668 1.00 0.00 O ATOM 0 H GLY A 36 0.734 -14.585 -8.340 1.00 0.00 H new ATOM 0 HA2 GLY A 36 2.276 -16.805 -8.104 1.00 0.00 H new ATOM 0 HA3 GLY A 36 0.734 -17.459 -8.619 1.00 0.00 H new ATOM 550 N LYS A 37 0.993 -15.210 -10.612 1.00 0.00 N ATOM 551 CA LYS A 37 1.211 -14.656 -11.945 1.00 0.00 C ATOM 552 C LYS A 37 2.605 -14.032 -12.003 1.00 0.00 C ATOM 553 O LYS A 37 3.474 -14.523 -12.699 1.00 0.00 O ATOM 554 CB LYS A 37 0.071 -13.689 -12.343 1.00 0.00 C ATOM 555 CG LYS A 37 -0.557 -12.919 -11.162 1.00 0.00 C ATOM 556 CD LYS A 37 -1.680 -13.695 -10.456 1.00 0.00 C ATOM 557 CE LYS A 37 -3.029 -13.231 -10.984 1.00 0.00 C ATOM 558 NZ LYS A 37 -4.077 -13.318 -9.936 1.00 0.00 N ATOM 0 H LYS A 37 0.235 -14.744 -10.112 1.00 0.00 H new ATOM 0 HA LYS A 37 1.180 -15.448 -12.693 1.00 0.00 H new ATOM 0 HB2 LYS A 37 0.457 -12.970 -13.065 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -0.711 -14.257 -12.847 1.00 0.00 H new ATOM 0 HG2 LYS A 37 0.222 -12.682 -10.437 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -0.953 -11.971 -11.526 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -1.560 -14.765 -10.626 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -1.625 -13.536 -9.379 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -2.950 -12.203 -11.337 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -3.316 -13.841 -11.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -4.957 -13.681 -10.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -3.762 -13.961 -9.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -4.247 -12.373 -9.536 1.00 0.00 H new ATOM 572 N SER A 38 2.831 -13.016 -11.171 1.00 0.00 N ATOM 573 CA SER A 38 4.075 -12.251 -11.183 1.00 0.00 C ATOM 574 C SER A 38 4.658 -12.036 -9.797 1.00 0.00 C ATOM 575 O SER A 38 5.829 -12.328 -9.522 1.00 0.00 O ATOM 576 CB SER A 38 3.825 -10.901 -11.825 1.00 0.00 C ATOM 577 OG SER A 38 2.706 -10.253 -11.224 1.00 0.00 O ATOM 0 H SER A 38 2.158 -12.701 -10.472 1.00 0.00 H new ATOM 0 HA SER A 38 4.800 -12.833 -11.752 1.00 0.00 H new ATOM 0 HB2 SER A 38 4.711 -10.275 -11.723 1.00 0.00 H new ATOM 0 HB3 SER A 38 3.647 -11.029 -12.893 1.00 0.00 H new ATOM 0 HG SER A 38 1.928 -10.329 -11.815 1.00 0.00 H new ATOM 583 N GLY A 39 3.859 -11.447 -8.918 1.00 0.00 N ATOM 584 CA GLY A 39 4.259 -11.210 -7.552 1.00 0.00 C ATOM 585 C GLY A 39 3.173 -10.556 -6.728 1.00 0.00 C ATOM 586 O GLY A 39 3.144 -10.793 -5.529 1.00 0.00 O ATOM 0 H GLY A 39 2.917 -11.123 -9.139 1.00 0.00 H new ATOM 0 HA2 GLY A 39 4.538 -12.157 -7.091 1.00 0.00 H new ATOM 0 HA3 GLY A 39 5.146 -10.577 -7.543 1.00 0.00 H new ATOM 590 N ASP A 40 2.323 -9.744 -7.354 1.00 0.00 N ATOM 591 CA ASP A 40 1.211 -9.078 -6.692 1.00 0.00 C ATOM 592 C ASP A 40 -0.115 -9.853 -6.848 1.00 0.00 C ATOM 593 O ASP A 40 -0.396 -10.462 -7.889 1.00 0.00 O ATOM 594 CB ASP A 40 1.073 -7.628 -7.161 1.00 0.00 C ATOM 595 CG ASP A 40 1.191 -7.516 -8.668 1.00 0.00 C ATOM 596 OD1 ASP A 40 2.375 -7.460 -9.081 1.00 0.00 O ATOM 597 OD2 ASP A 40 0.151 -7.478 -9.346 1.00 0.00 O ATOM 0 H ASP A 40 2.391 -9.530 -8.349 1.00 0.00 H new ATOM 0 HA ASP A 40 1.440 -9.063 -5.626 1.00 0.00 H new ATOM 0 HB2 ASP A 40 0.110 -7.231 -6.840 1.00 0.00 H new ATOM 0 HB3 ASP A 40 1.842 -7.017 -6.689 1.00 0.00 H new ATOM 602 N PRO A 41 -0.949 -9.814 -5.798 1.00 0.00 N ATOM 603 CA PRO A 41 -0.666 -9.199 -4.494 1.00 0.00 C ATOM 604 C PRO A 41 0.410 -9.932 -3.696 1.00 0.00 C ATOM 605 O PRO A 41 0.874 -10.993 -4.087 1.00 0.00 O ATOM 606 CB PRO A 41 -1.987 -9.245 -3.755 1.00 0.00 C ATOM 607 CG PRO A 41 -2.670 -10.481 -4.331 1.00 0.00 C ATOM 608 CD PRO A 41 -2.229 -10.497 -5.780 1.00 0.00 C ATOM 0 HA PRO A 41 -0.275 -8.190 -4.628 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -1.842 -9.331 -2.678 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -2.575 -8.344 -3.927 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -2.362 -11.387 -3.809 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -3.755 -10.416 -4.244 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -2.136 -11.517 -6.151 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -2.954 -9.991 -6.417 1.00 0.00 H new ATOM 616 N HIS A 42 0.834 -9.371 -2.569 1.00 0.00 N ATOM 617 CA HIS A 42 1.917 -9.969 -1.780 1.00 0.00 C ATOM 618 C HIS A 42 1.443 -10.217 -0.358 1.00 0.00 C ATOM 619 O HIS A 42 0.673 -9.420 0.164 1.00 0.00 O ATOM 620 CB HIS A 42 3.161 -9.072 -1.772 1.00 0.00 C ATOM 621 CG HIS A 42 3.366 -8.242 -3.009 1.00 0.00 C ATOM 622 ND1 HIS A 42 2.779 -7.022 -3.248 1.00 0.00 N ATOM 623 CD2 HIS A 42 4.110 -8.565 -4.099 1.00 0.00 C ATOM 624 CE1 HIS A 42 3.158 -6.606 -4.469 1.00 0.00 C ATOM 625 NE2 HIS A 42 3.950 -7.544 -5.017 1.00 0.00 N ATOM 0 H HIS A 42 0.451 -8.510 -2.179 1.00 0.00 H new ATOM 0 HA HIS A 42 2.190 -10.918 -2.242 1.00 0.00 H new ATOM 0 HB2 HIS A 42 3.101 -8.404 -0.913 1.00 0.00 H new ATOM 0 HB3 HIS A 42 4.040 -9.700 -1.627 1.00 0.00 H new ATOM 0 HD2 HIS A 42 4.713 -9.452 -4.225 1.00 0.00 H new ATOM 0 HE1 HIS A 42 2.873 -5.673 -4.933 1.00 0.00 H new ATOM 0 HE2 HIS A 42 4.362 -7.508 -5.949 1.00 0.00 H new ATOM 634 N ARG A 43 1.925 -11.287 0.275 1.00 0.00 N ATOM 635 CA ARG A 43 1.605 -11.631 1.661 1.00 0.00 C ATOM 636 C ARG A 43 2.279 -10.667 2.629 1.00 0.00 C ATOM 637 O ARG A 43 3.480 -10.772 2.865 1.00 0.00 O ATOM 638 CB ARG A 43 2.035 -13.073 1.968 1.00 0.00 C ATOM 639 CG ARG A 43 0.929 -14.075 1.630 1.00 0.00 C ATOM 640 CD ARG A 43 -0.231 -14.016 2.640 1.00 0.00 C ATOM 641 NE ARG A 43 0.212 -14.364 3.996 1.00 0.00 N ATOM 642 CZ ARG A 43 0.367 -15.586 4.470 1.00 0.00 C ATOM 643 NH1 ARG A 43 0.100 -16.640 3.747 1.00 0.00 N ATOM 644 NH2 ARG A 43 0.802 -15.774 5.680 1.00 0.00 N ATOM 0 H ARG A 43 2.560 -11.951 -0.169 1.00 0.00 H new ATOM 0 HA ARG A 43 0.526 -11.549 1.789 1.00 0.00 H new ATOM 0 HB2 ARG A 43 2.932 -13.315 1.398 1.00 0.00 H new ATOM 0 HB3 ARG A 43 2.295 -13.159 3.023 1.00 0.00 H new ATOM 0 HG2 ARG A 43 0.549 -13.871 0.629 1.00 0.00 H new ATOM 0 HG3 ARG A 43 1.345 -15.082 1.614 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -0.660 -13.014 2.643 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -1.020 -14.700 2.328 1.00 0.00 H new ATOM 0 HE ARG A 43 0.419 -13.591 4.629 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -0.237 -16.530 2.791 1.00 0.00 H new ATOM 0 HH12 ARG A 43 0.229 -17.573 4.139 1.00 0.00 H new ATOM 0 HH21 ARG A 43 1.027 -14.974 6.271 1.00 0.00 H new ATOM 0 HH22 ARG A 43 0.919 -16.722 6.038 1.00 0.00 H new ATOM 658 N TYR A 44 1.506 -9.755 3.191 1.00 0.00 N ATOM 659 CA TYR A 44 1.976 -8.819 4.196 1.00 0.00 C ATOM 660 C TYR A 44 1.913 -9.457 5.585 1.00 0.00 C ATOM 661 O TYR A 44 0.871 -9.946 6.013 1.00 0.00 O ATOM 662 CB TYR A 44 1.168 -7.520 4.110 1.00 0.00 C ATOM 663 CG TYR A 44 1.904 -6.342 4.692 1.00 0.00 C ATOM 664 CD1 TYR A 44 2.996 -5.833 3.975 1.00 0.00 C ATOM 665 CD2 TYR A 44 1.532 -5.761 5.916 1.00 0.00 C ATOM 666 CE1 TYR A 44 3.715 -4.733 4.457 1.00 0.00 C ATOM 667 CE2 TYR A 44 2.237 -4.640 6.391 1.00 0.00 C ATOM 668 CZ TYR A 44 3.346 -4.144 5.675 1.00 0.00 C ATOM 669 OH TYR A 44 4.074 -3.124 6.177 1.00 0.00 O ATOM 0 H TYR A 44 0.519 -9.642 2.958 1.00 0.00 H new ATOM 0 HA TYR A 44 3.020 -8.568 4.009 1.00 0.00 H new ATOM 0 HB2 TYR A 44 0.927 -7.314 3.067 1.00 0.00 H new ATOM 0 HB3 TYR A 44 0.222 -7.649 4.636 1.00 0.00 H new ATOM 0 HD1 TYR A 44 3.285 -6.294 3.042 1.00 0.00 H new ATOM 0 HD2 TYR A 44 0.712 -6.171 6.487 1.00 0.00 H new ATOM 0 HE1 TYR A 44 4.549 -4.340 3.894 1.00 0.00 H new ATOM 0 HE2 TYR A 44 1.928 -4.158 7.307 1.00 0.00 H new ATOM 0 HH TYR A 44 4.661 -2.766 5.478 1.00 0.00 H new ATOM 679 N PHE A 45 3.033 -9.479 6.299 1.00 0.00 N ATOM 680 CA PHE A 45 3.065 -9.993 7.671 1.00 0.00 C ATOM 681 C PHE A 45 2.506 -9.002 8.690 1.00 0.00 C ATOM 682 O PHE A 45 2.007 -9.430 9.721 1.00 0.00 O ATOM 683 CB PHE A 45 4.493 -10.359 8.060 1.00 0.00 C ATOM 684 CG PHE A 45 5.050 -11.509 7.253 1.00 0.00 C ATOM 685 CD1 PHE A 45 5.438 -11.314 5.918 1.00 0.00 C ATOM 686 CD2 PHE A 45 5.152 -12.784 7.825 1.00 0.00 C ATOM 687 CE1 PHE A 45 5.925 -12.380 5.158 1.00 0.00 C ATOM 688 CE2 PHE A 45 5.659 -13.852 7.073 1.00 0.00 C ATOM 689 CZ PHE A 45 6.047 -13.648 5.740 1.00 0.00 C ATOM 0 H PHE A 45 3.934 -9.147 5.954 1.00 0.00 H new ATOM 0 HA PHE A 45 2.427 -10.876 7.687 1.00 0.00 H new ATOM 0 HB2 PHE A 45 5.134 -9.487 7.929 1.00 0.00 H new ATOM 0 HB3 PHE A 45 4.520 -10.619 9.118 1.00 0.00 H new ATOM 0 HD1 PHE A 45 5.359 -10.332 5.475 1.00 0.00 H new ATOM 0 HD2 PHE A 45 4.840 -12.944 8.846 1.00 0.00 H new ATOM 0 HE1 PHE A 45 6.206 -12.227 4.126 1.00 0.00 H new ATOM 0 HE2 PHE A 45 5.751 -14.831 7.519 1.00 0.00 H new ATOM 0 HZ PHE A 45 6.441 -14.471 5.162 1.00 0.00 H new ATOM 699 N ALA A 46 2.585 -7.700 8.394 1.00 0.00 N ATOM 700 CA ALA A 46 2.148 -6.617 9.276 1.00 0.00 C ATOM 701 C ALA A 46 3.074 -6.404 10.481 1.00 0.00 C ATOM 702 O ALA A 46 2.688 -5.839 11.497 1.00 0.00 O ATOM 703 CB ALA A 46 0.684 -6.832 9.663 1.00 0.00 C ATOM 0 H ALA A 46 2.965 -7.363 7.509 1.00 0.00 H new ATOM 0 HA ALA A 46 2.218 -5.679 8.725 1.00 0.00 H new ATOM 0 HB1 ALA A 46 0.359 -6.025 10.320 1.00 0.00 H new ATOM 0 HB2 ALA A 46 0.067 -6.839 8.764 1.00 0.00 H new ATOM 0 HB3 ALA A 46 0.581 -7.785 10.181 1.00 0.00 H new ATOM 709 N GLY A 47 4.334 -6.808 10.342 1.00 0.00 N ATOM 710 CA GLY A 47 5.338 -6.700 11.394 1.00 0.00 C ATOM 711 C GLY A 47 6.290 -5.519 11.203 1.00 0.00 C ATOM 712 O GLY A 47 7.338 -5.474 11.839 1.00 0.00 O ATOM 0 H GLY A 47 4.690 -7.226 9.482 1.00 0.00 H new ATOM 0 HA2 GLY A 47 4.836 -6.601 12.357 1.00 0.00 H new ATOM 0 HA3 GLY A 47 5.917 -7.623 11.430 1.00 0.00 H new ATOM 716 N ASP A 48 5.928 -4.541 10.370 1.00 0.00 N ATOM 717 CA ASP A 48 6.748 -3.352 10.119 1.00 0.00 C ATOM 718 C ASP A 48 6.381 -2.212 11.084 1.00 0.00 C ATOM 719 O ASP A 48 6.355 -1.051 10.711 1.00 0.00 O ATOM 720 CB ASP A 48 6.639 -2.931 8.648 1.00 0.00 C ATOM 721 CG ASP A 48 7.762 -1.954 8.246 1.00 0.00 C ATOM 722 OD1 ASP A 48 8.850 -2.455 7.899 1.00 0.00 O ATOM 723 OD2 ASP A 48 7.583 -0.720 8.293 1.00 0.00 O ATOM 0 H ASP A 48 5.052 -4.551 9.847 1.00 0.00 H new ATOM 0 HA ASP A 48 7.792 -3.598 10.312 1.00 0.00 H new ATOM 0 HB2 ASP A 48 6.683 -3.816 8.013 1.00 0.00 H new ATOM 0 HB3 ASP A 48 5.670 -2.462 8.475 1.00 0.00 H new ATOM 728 N HIS A 49 6.031 -2.512 12.342 1.00 0.00 N ATOM 729 CA HIS A 49 5.608 -1.471 13.310 1.00 0.00 C ATOM 730 C HIS A 49 4.324 -0.741 12.876 1.00 0.00 C ATOM 731 O HIS A 49 4.167 0.462 13.090 1.00 0.00 O ATOM 732 CB HIS A 49 6.755 -0.459 13.560 1.00 0.00 C ATOM 733 CG HIS A 49 8.010 -1.071 14.100 1.00 0.00 C ATOM 734 ND1 HIS A 49 9.279 -0.744 13.688 1.00 0.00 N ATOM 735 CD2 HIS A 49 8.114 -2.020 15.069 1.00 0.00 C ATOM 736 CE1 HIS A 49 10.152 -1.459 14.419 1.00 0.00 C ATOM 737 NE2 HIS A 49 9.460 -2.247 15.265 1.00 0.00 N ATOM 0 H HIS A 49 6.030 -3.460 12.719 1.00 0.00 H new ATOM 0 HA HIS A 49 5.377 -1.984 14.243 1.00 0.00 H new ATOM 0 HB2 HIS A 49 6.986 0.049 12.624 1.00 0.00 H new ATOM 0 HB3 HIS A 49 6.406 0.302 14.258 1.00 0.00 H new ATOM 0 HD2 HIS A 49 7.298 -2.503 15.586 1.00 0.00 H new ATOM 0 HE1 HIS A 49 11.228 -1.410 14.341 1.00 0.00 H new ATOM 0 HE2 HIS A 49 9.863 -2.900 15.936 1.00 0.00 H new ATOM 746 N ILE A 50 3.368 -1.479 12.321 1.00 0.00 N ATOM 747 CA ILE A 50 2.127 -0.924 11.794 1.00 0.00 C ATOM 748 C ILE A 50 0.960 -1.724 12.346 1.00 0.00 C ATOM 749 O ILE A 50 0.625 -2.780 11.836 1.00 0.00 O ATOM 750 CB ILE A 50 2.102 -0.899 10.256 1.00 0.00 C ATOM 751 CG1 ILE A 50 3.489 -0.793 9.633 1.00 0.00 C ATOM 752 CG2 ILE A 50 1.235 0.271 9.799 1.00 0.00 C ATOM 753 CD1 ILE A 50 3.431 -0.906 8.122 1.00 0.00 C ATOM 0 H ILE A 50 3.435 -2.492 12.224 1.00 0.00 H new ATOM 0 HA ILE A 50 2.049 0.115 12.114 1.00 0.00 H new ATOM 0 HB ILE A 50 1.687 -1.849 9.918 1.00 0.00 H new ATOM 0 HG12 ILE A 50 3.942 0.159 9.910 1.00 0.00 H new ATOM 0 HG13 ILE A 50 4.130 -1.579 10.033 1.00 0.00 H new ATOM 0 HG21 ILE A 50 1.209 0.301 8.710 1.00 0.00 H new ATOM 0 HG22 ILE A 50 0.223 0.146 10.183 1.00 0.00 H new ATOM 0 HG23 ILE A 50 1.654 1.204 10.177 1.00 0.00 H new ATOM 0 HD11 ILE A 50 4.438 -0.826 7.712 1.00 0.00 H new ATOM 0 HD12 ILE A 50 3.002 -1.869 7.845 1.00 0.00 H new ATOM 0 HD13 ILE A 50 2.811 -0.104 7.721 1.00 0.00 H new ATOM 765 N ARG A 51 0.349 -1.215 13.414 1.00 0.00 N ATOM 766 CA ARG A 51 -0.851 -1.831 14.002 1.00 0.00 C ATOM 767 C ARG A 51 -2.132 -1.525 13.227 1.00 0.00 C ATOM 768 O ARG A 51 -3.170 -2.143 13.429 1.00 0.00 O ATOM 769 CB ARG A 51 -1.007 -1.377 15.452 1.00 0.00 C ATOM 770 CG ARG A 51 -1.337 0.118 15.571 1.00 0.00 C ATOM 771 CD ARG A 51 -0.848 0.693 16.890 1.00 0.00 C ATOM 772 NE ARG A 51 -1.776 0.422 17.997 1.00 0.00 N ATOM 773 CZ ARG A 51 -1.656 0.898 19.220 1.00 0.00 C ATOM 774 NH1 ARG A 51 -0.669 1.693 19.526 1.00 0.00 N ATOM 775 NH2 ARG A 51 -2.532 0.607 20.138 1.00 0.00 N ATOM 0 H ARG A 51 0.663 -0.373 13.896 1.00 0.00 H new ATOM 0 HA ARG A 51 -0.704 -2.910 13.952 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -1.797 -1.958 15.928 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -0.086 -1.586 15.995 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -0.878 0.660 14.744 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -2.414 0.262 15.487 1.00 0.00 H new ATOM 0 HD2 ARG A 51 0.129 0.272 17.127 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -0.714 1.770 16.787 1.00 0.00 H new ATOM 0 HE ARG A 51 -2.575 -0.182 17.804 1.00 0.00 H new ATOM 0 HH11 ARG A 51 0.017 1.951 18.817 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -0.583 2.057 20.475 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -3.323 0.004 19.915 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -2.427 0.982 21.081 1.00 0.00 H new ATOM 789 N TRP A 52 -2.087 -0.472 12.407 1.00 0.00 N ATOM 790 CA TRP A 52 -3.223 -0.032 11.593 1.00 0.00 C ATOM 791 C TRP A 52 -4.432 0.417 12.421 1.00 0.00 C ATOM 792 O TRP A 52 -5.564 0.378 11.955 1.00 0.00 O ATOM 793 CB TRP A 52 -3.591 -1.131 10.593 1.00 0.00 C ATOM 794 CG TRP A 52 -2.496 -1.455 9.655 1.00 0.00 C ATOM 795 CD1 TRP A 52 -1.528 -2.388 9.796 1.00 0.00 C ATOM 796 CD2 TRP A 52 -2.253 -0.790 8.408 1.00 0.00 C ATOM 797 NE1 TRP A 52 -0.686 -2.330 8.707 1.00 0.00 N ATOM 798 CE2 TRP A 52 -1.089 -1.358 7.824 1.00 0.00 C ATOM 799 CE3 TRP A 52 -2.911 0.254 7.746 1.00 0.00 C ATOM 800 CZ2 TRP A 52 -0.583 -0.905 6.612 1.00 0.00 C ATOM 801 CZ3 TRP A 52 -2.419 0.703 6.524 1.00 0.00 C ATOM 802 CH2 TRP A 52 -1.296 0.096 5.942 1.00 0.00 C ATOM 0 H TRP A 52 -1.254 0.104 12.288 1.00 0.00 H new ATOM 0 HA TRP A 52 -2.911 0.860 11.049 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -3.871 -2.032 11.139 1.00 0.00 H new ATOM 0 HB3 TRP A 52 -4.467 -0.818 10.025 1.00 0.00 H new ATOM 0 HD1 TRP A 52 -1.430 -3.069 10.628 1.00 0.00 H new ATOM 0 HE1 TRP A 52 0.129 -2.929 8.574 1.00 0.00 H new ATOM 0 HE3 TRP A 52 -3.791 0.706 8.179 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 0.329 -1.311 6.201 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 -2.905 1.525 6.020 1.00 0.00 H new ATOM 0 HH2 TRP A 52 -0.976 0.407 4.959 1.00 0.00 H new ATOM 813 N GLY A 53 -4.199 0.881 13.653 1.00 0.00 N ATOM 814 CA GLY A 53 -5.260 1.183 14.612 1.00 0.00 C ATOM 815 C GLY A 53 -6.287 0.058 14.776 1.00 0.00 C ATOM 816 O GLY A 53 -7.416 0.333 15.169 1.00 0.00 O ATOM 0 H GLY A 53 -3.261 1.058 14.013 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -4.810 1.395 15.582 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -5.776 2.089 14.295 1.00 0.00 H new ATOM 820 N VAL A 54 -5.918 -1.194 14.498 1.00 0.00 N ATOM 821 CA VAL A 54 -6.820 -2.346 14.540 1.00 0.00 C ATOM 822 C VAL A 54 -6.139 -3.481 15.296 1.00 0.00 C ATOM 823 O VAL A 54 -4.962 -3.735 15.122 1.00 0.00 O ATOM 824 CB VAL A 54 -7.170 -2.797 13.110 1.00 0.00 C ATOM 825 CG1 VAL A 54 -7.973 -4.103 13.094 1.00 0.00 C ATOM 826 CG2 VAL A 54 -8.009 -1.758 12.372 1.00 0.00 C ATOM 0 H VAL A 54 -4.965 -1.440 14.232 1.00 0.00 H new ATOM 0 HA VAL A 54 -7.743 -2.069 15.050 1.00 0.00 H new ATOM 0 HB VAL A 54 -6.208 -2.936 12.616 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -8.196 -4.380 12.064 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -7.390 -4.894 13.565 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -8.905 -3.964 13.642 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -8.233 -2.118 11.368 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -8.940 -1.591 12.913 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -7.454 -0.822 12.307 1.00 0.00 H new ATOM 836 N ASN A 55 -6.901 -4.227 16.089 1.00 0.00 N ATOM 837 CA ASN A 55 -6.397 -5.402 16.801 1.00 0.00 C ATOM 838 C ASN A 55 -5.986 -6.546 15.858 1.00 0.00 C ATOM 839 O ASN A 55 -4.932 -7.146 16.038 1.00 0.00 O ATOM 840 CB ASN A 55 -7.488 -5.869 17.769 1.00 0.00 C ATOM 841 CG ASN A 55 -7.165 -7.225 18.381 1.00 0.00 C ATOM 842 OD1 ASN A 55 -7.364 -8.283 17.803 1.00 0.00 O ATOM 843 ND2 ASN A 55 -6.630 -7.240 19.577 1.00 0.00 N ATOM 0 H ASN A 55 -7.888 -4.035 16.258 1.00 0.00 H new ATOM 0 HA ASN A 55 -5.491 -5.120 17.337 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -7.608 -5.132 18.563 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -8.440 -5.927 17.242 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -6.385 -8.128 20.015 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -6.459 -6.364 20.070 1.00 0.00 H new ATOM 850 N ASN A 56 -6.843 -6.893 14.893 1.00 0.00 N ATOM 851 CA ASN A 56 -6.573 -7.940 13.912 1.00 0.00 C ATOM 852 C ASN A 56 -5.297 -7.631 13.123 1.00 0.00 C ATOM 853 O ASN A 56 -4.413 -8.472 13.015 1.00 0.00 O ATOM 854 CB ASN A 56 -7.782 -8.095 12.976 1.00 0.00 C ATOM 855 CG ASN A 56 -7.720 -9.347 12.109 1.00 0.00 C ATOM 856 OD1 ASN A 56 -6.705 -9.992 11.942 1.00 0.00 O ATOM 857 ND2 ASN A 56 -8.827 -9.740 11.527 1.00 0.00 N ATOM 0 H ASN A 56 -7.753 -6.448 14.773 1.00 0.00 H new ATOM 0 HA ASN A 56 -6.413 -8.884 14.434 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -8.693 -8.120 13.573 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -7.848 -7.219 12.331 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -8.827 -10.577 10.944 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -9.688 -9.209 11.657 1.00 0.00 H new ATOM 864 N CYS A 57 -5.164 -6.394 12.638 1.00 0.00 N ATOM 865 CA CYS A 57 -3.966 -5.952 11.934 1.00 0.00 C ATOM 866 C CYS A 57 -2.777 -5.649 12.865 1.00 0.00 C ATOM 867 O CYS A 57 -1.890 -4.897 12.475 1.00 0.00 O ATOM 868 CB CYS A 57 -4.299 -4.730 11.089 1.00 0.00 C ATOM 869 SG CYS A 57 -5.511 -4.985 9.771 1.00 0.00 S ATOM 0 H CYS A 57 -5.883 -5.676 12.724 1.00 0.00 H new ATOM 0 HA CYS A 57 -3.647 -6.780 11.301 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -4.669 -3.946 11.749 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -3.377 -4.360 10.641 1.00 0.00 H new ATOM 874 N ASP A 58 -2.751 -6.231 14.067 1.00 0.00 N ATOM 875 CA ASP A 58 -1.687 -6.080 15.066 1.00 0.00 C ATOM 876 C ASP A 58 -1.229 -7.432 15.630 1.00 0.00 C ATOM 877 O ASP A 58 -0.928 -7.577 16.818 1.00 0.00 O ATOM 878 CB ASP A 58 -2.162 -5.149 16.190 1.00 0.00 C ATOM 879 CG ASP A 58 -1.030 -4.423 16.922 1.00 0.00 C ATOM 880 OD1 ASP A 58 0.050 -4.224 16.323 1.00 0.00 O ATOM 881 OD2 ASP A 58 -1.298 -3.931 18.045 1.00 0.00 O ATOM 0 H ASP A 58 -3.501 -6.845 14.385 1.00 0.00 H new ATOM 0 HA ASP A 58 -0.822 -5.637 14.574 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -2.842 -4.408 15.770 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -2.732 -5.732 16.913 1.00 0.00 H new ATOM 886 N LYS A 59 -1.233 -8.468 14.789 1.00 0.00 N ATOM 887 CA LYS A 59 -0.810 -9.816 15.166 1.00 0.00 C ATOM 888 C LYS A 59 0.204 -10.380 14.179 1.00 0.00 C ATOM 889 O LYS A 59 0.311 -9.918 13.049 1.00 0.00 O ATOM 890 CB LYS A 59 -2.026 -10.738 15.307 1.00 0.00 C ATOM 891 CG LYS A 59 -3.164 -10.133 16.139 1.00 0.00 C ATOM 892 CD LYS A 59 -3.971 -11.231 16.831 1.00 0.00 C ATOM 893 CE LYS A 59 -5.339 -10.707 17.258 1.00 0.00 C ATOM 894 NZ LYS A 59 -5.282 -10.027 18.565 1.00 0.00 N ATOM 0 H LYS A 59 -1.533 -8.393 13.817 1.00 0.00 H new ATOM 0 HA LYS A 59 -0.314 -9.756 16.135 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -2.403 -10.982 14.314 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -1.710 -11.674 15.766 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -2.754 -9.452 16.885 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -3.818 -9.545 15.496 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -4.095 -12.078 16.156 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -3.427 -11.595 17.703 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -5.714 -10.015 16.504 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -6.045 -11.535 17.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -6.178 -9.526 18.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -5.130 -10.730 19.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -4.498 -9.344 18.567 1.00 0.00 H new ATOM 908 N ALA A 60 0.913 -11.421 14.603 1.00 0.00 N ATOM 909 CA ALA A 60 1.877 -12.104 13.748 1.00 0.00 C ATOM 910 C ALA A 60 1.201 -13.026 12.719 1.00 0.00 C ATOM 911 O ALA A 60 1.596 -13.072 11.558 1.00 0.00 O ATOM 912 CB ALA A 60 2.836 -12.903 14.631 1.00 0.00 C ATOM 0 H ALA A 60 0.837 -11.813 15.542 1.00 0.00 H new ATOM 0 HA ALA A 60 2.422 -11.351 13.178 1.00 0.00 H new ATOM 0 HB1 ALA A 60 3.563 -13.419 14.004 1.00 0.00 H new ATOM 0 HB2 ALA A 60 3.357 -12.226 15.308 1.00 0.00 H new ATOM 0 HB3 ALA A 60 2.273 -13.634 15.211 1.00 0.00 H new ATOM 918 N ASP A 61 0.161 -13.744 13.144 1.00 0.00 N ATOM 919 CA ASP A 61 -0.655 -14.618 12.305 1.00 0.00 C ATOM 920 C ASP A 61 -1.872 -13.833 11.778 1.00 0.00 C ATOM 921 O ASP A 61 -3.005 -14.302 11.815 1.00 0.00 O ATOM 922 CB ASP A 61 -1.061 -15.879 13.089 1.00 0.00 C ATOM 923 CG ASP A 61 -1.191 -17.088 12.154 1.00 0.00 C ATOM 924 OD1 ASP A 61 -0.124 -17.550 11.689 1.00 0.00 O ATOM 925 OD2 ASP A 61 -2.329 -17.522 11.877 1.00 0.00 O ATOM 0 H ASP A 61 -0.146 -13.732 14.117 1.00 0.00 H new ATOM 0 HA ASP A 61 -0.079 -14.954 11.442 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -0.318 -16.088 13.859 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -2.009 -15.705 13.599 1.00 0.00 H new ATOM 930 N ALA A 62 -1.666 -12.589 11.334 1.00 0.00 N ATOM 931 CA ALA A 62 -2.752 -11.808 10.743 1.00 0.00 C ATOM 932 C ALA A 62 -3.019 -12.147 9.269 1.00 0.00 C ATOM 933 O ALA A 62 -4.150 -12.049 8.790 1.00 0.00 O ATOM 934 CB ALA A 62 -2.421 -10.330 10.869 1.00 0.00 C ATOM 0 H ALA A 62 -0.768 -12.108 11.373 1.00 0.00 H new ATOM 0 HA ALA A 62 -3.661 -12.060 11.289 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -3.225 -9.738 10.431 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -2.311 -10.070 11.922 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -1.489 -10.120 10.345 1.00 0.00 H new ATOM 940 N ILE A 63 -1.971 -12.543 8.541 1.00 0.00 N ATOM 941 CA ILE A 63 -2.024 -12.890 7.119 1.00 0.00 C ATOM 942 C ILE A 63 -2.558 -11.701 6.322 1.00 0.00 C ATOM 943 O ILE A 63 -3.590 -11.796 5.656 1.00 0.00 O ATOM 944 CB ILE A 63 -2.840 -14.186 6.894 1.00 0.00 C ATOM 945 CG1 ILE A 63 -2.325 -15.373 7.734 1.00 0.00 C ATOM 946 CG2 ILE A 63 -2.881 -14.602 5.408 1.00 0.00 C ATOM 947 CD1 ILE A 63 -3.003 -15.531 9.096 1.00 0.00 C ATOM 0 H ILE A 63 -1.035 -12.633 8.937 1.00 0.00 H new ATOM 0 HA ILE A 63 -1.019 -13.103 6.756 1.00 0.00 H new ATOM 0 HB ILE A 63 -3.850 -13.942 7.224 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -2.465 -16.292 7.165 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -1.253 -15.254 7.888 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -3.465 -15.516 5.302 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -3.341 -13.808 4.820 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -1.866 -14.776 5.051 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -2.578 -16.390 9.616 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -2.842 -14.631 9.689 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -4.073 -15.685 8.954 1.00 0.00 H new ATOM 959 N LEU A 64 -1.863 -10.568 6.404 1.00 0.00 N ATOM 960 CA LEU A 64 -2.237 -9.409 5.619 1.00 0.00 C ATOM 961 C LEU A 64 -1.751 -9.565 4.177 1.00 0.00 C ATOM 962 O LEU A 64 -1.052 -10.514 3.810 1.00 0.00 O ATOM 963 CB LEU A 64 -1.757 -8.121 6.307 1.00 0.00 C ATOM 964 CG LEU A 64 -2.255 -7.908 7.736 1.00 0.00 C ATOM 965 CD1 LEU A 64 -2.309 -6.408 8.025 1.00 0.00 C ATOM 966 CD2 LEU A 64 -3.627 -8.490 8.041 1.00 0.00 C ATOM 0 H LEU A 64 -1.047 -10.435 7.002 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.323 -9.331 5.562 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.667 -8.121 6.318 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -2.069 -7.270 5.702 1.00 0.00 H new ATOM 0 HG LEU A 64 -1.546 -8.441 8.369 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.663 -6.246 9.043 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -1.312 -5.980 7.915 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.990 -5.926 7.323 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -3.887 -8.285 9.079 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -4.369 -8.036 7.385 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -3.610 -9.568 7.878 1.00 0.00 H new ATOM 978 N TRP A 65 -2.125 -8.613 3.342 1.00 0.00 N ATOM 979 CA TRP A 65 -1.745 -8.560 1.948 1.00 0.00 C ATOM 980 C TRP A 65 -1.507 -7.125 1.541 1.00 0.00 C ATOM 981 O TRP A 65 -2.308 -6.268 1.887 1.00 0.00 O ATOM 982 CB TRP A 65 -2.832 -9.200 1.101 1.00 0.00 C ATOM 983 CG TRP A 65 -2.867 -10.685 1.206 1.00 0.00 C ATOM 984 CD1 TRP A 65 -3.479 -11.391 2.180 1.00 0.00 C ATOM 985 CD2 TRP A 65 -2.240 -11.655 0.329 1.00 0.00 C ATOM 986 NE1 TRP A 65 -3.300 -12.735 1.940 1.00 0.00 N ATOM 987 CE2 TRP A 65 -2.559 -12.956 0.798 1.00 0.00 C ATOM 988 CE3 TRP A 65 -1.433 -11.562 -0.816 1.00 0.00 C ATOM 989 CZ2 TRP A 65 -2.101 -14.108 0.146 1.00 0.00 C ATOM 990 CZ3 TRP A 65 -0.942 -12.708 -1.464 1.00 0.00 C ATOM 991 CH2 TRP A 65 -1.283 -13.987 -0.992 1.00 0.00 C ATOM 0 H TRP A 65 -2.719 -7.834 3.626 1.00 0.00 H new ATOM 0 HA TRP A 65 -0.820 -9.115 1.793 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -3.800 -8.799 1.402 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -2.681 -8.920 0.058 1.00 0.00 H new ATOM 0 HD1 TRP A 65 -4.022 -10.970 3.013 1.00 0.00 H new ATOM 0 HE1 TRP A 65 -3.670 -13.477 2.534 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -1.184 -10.587 -1.208 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 -2.375 -15.085 0.515 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -0.301 -12.606 -2.327 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -0.920 -14.869 -1.498 1.00 0.00 H new ATOM 1002 N GLU A 66 -0.409 -6.881 0.829 1.00 0.00 N ATOM 1003 CA GLU A 66 -0.029 -5.568 0.321 1.00 0.00 C ATOM 1004 C GLU A 66 -0.132 -5.514 -1.206 1.00 0.00 C ATOM 1005 O GLU A 66 0.225 -6.478 -1.902 1.00 0.00 O ATOM 1006 CB GLU A 66 1.367 -5.150 0.797 1.00 0.00 C ATOM 1007 CG GLU A 66 2.471 -6.031 0.217 1.00 0.00 C ATOM 1008 CD GLU A 66 3.887 -5.576 0.564 1.00 0.00 C ATOM 1009 OE1 GLU A 66 4.236 -4.412 0.253 1.00 0.00 O ATOM 1010 OE2 GLU A 66 4.641 -6.438 1.056 1.00 0.00 O ATOM 0 H GLU A 66 0.258 -7.612 0.584 1.00 0.00 H new ATOM 0 HA GLU A 66 -0.737 -4.848 0.732 1.00 0.00 H new ATOM 0 HB2 GLU A 66 1.548 -4.113 0.514 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.405 -5.195 1.885 1.00 0.00 H new ATOM 0 HG2 GLU A 66 2.332 -7.051 0.576 1.00 0.00 H new ATOM 0 HG3 GLU A 66 2.366 -6.057 -0.868 1.00 0.00 H new ATOM 1017 N TYR A 67 -0.552 -4.376 -1.750 1.00 0.00 N ATOM 1018 CA TYR A 67 -0.697 -4.206 -3.192 1.00 0.00 C ATOM 1019 C TYR A 67 -0.423 -2.762 -3.638 1.00 0.00 C ATOM 1020 O TYR A 67 -0.870 -1.832 -2.981 1.00 0.00 O ATOM 1021 CB TYR A 67 -2.101 -4.640 -3.618 1.00 0.00 C ATOM 1022 CG TYR A 67 -2.270 -4.726 -5.114 1.00 0.00 C ATOM 1023 CD1 TYR A 67 -1.923 -5.891 -5.806 1.00 0.00 C ATOM 1024 CD2 TYR A 67 -2.722 -3.618 -5.825 1.00 0.00 C ATOM 1025 CE1 TYR A 67 -2.027 -5.958 -7.210 1.00 0.00 C ATOM 1026 CE2 TYR A 67 -2.808 -3.675 -7.227 1.00 0.00 C ATOM 1027 CZ TYR A 67 -2.464 -4.835 -7.923 1.00 0.00 C ATOM 1028 OH TYR A 67 -2.568 -4.851 -9.273 1.00 0.00 O ATOM 0 H TYR A 67 -0.800 -3.549 -1.207 1.00 0.00 H new ATOM 0 HA TYR A 67 0.048 -4.835 -3.680 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -2.323 -5.612 -3.178 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -2.829 -3.935 -3.217 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -1.570 -6.751 -5.257 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -3.006 -2.717 -5.301 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -1.772 -6.868 -7.732 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -3.146 -2.807 -7.774 1.00 0.00 H new ATOM 0 HH TYR A 67 -1.685 -4.700 -9.671 1.00 0.00 H new ATOM 1038 N PRO A 68 0.349 -2.540 -4.710 1.00 0.00 N ATOM 1039 CA PRO A 68 0.714 -1.211 -5.205 1.00 0.00 C ATOM 1040 C PRO A 68 -0.476 -0.460 -5.791 1.00 0.00 C ATOM 1041 O PRO A 68 -1.513 -1.042 -6.087 1.00 0.00 O ATOM 1042 CB PRO A 68 1.762 -1.459 -6.288 1.00 0.00 C ATOM 1043 CG PRO A 68 1.440 -2.868 -6.760 1.00 0.00 C ATOM 1044 CD PRO A 68 0.924 -3.576 -5.530 1.00 0.00 C ATOM 0 HA PRO A 68 1.085 -0.589 -4.390 1.00 0.00 H new ATOM 0 HB2 PRO A 68 1.684 -0.734 -7.098 1.00 0.00 H new ATOM 0 HB3 PRO A 68 2.775 -1.388 -5.893 1.00 0.00 H new ATOM 0 HG2 PRO A 68 0.693 -2.859 -7.554 1.00 0.00 H new ATOM 0 HG3 PRO A 68 2.325 -3.363 -7.160 1.00 0.00 H new ATOM 0 HD2 PRO A 68 0.180 -4.329 -5.792 1.00 0.00 H new ATOM 0 HD3 PRO A 68 1.729 -4.092 -5.006 1.00 0.00 H new ATOM 1052 N ILE A 69 -0.318 0.847 -5.983 1.00 0.00 N ATOM 1053 CA ILE A 69 -1.377 1.686 -6.537 1.00 0.00 C ATOM 1054 C ILE A 69 -0.886 3.088 -6.869 1.00 0.00 C ATOM 1055 O ILE A 69 -0.082 3.688 -6.150 1.00 0.00 O ATOM 1056 CB ILE A 69 -2.579 1.810 -5.567 1.00 0.00 C ATOM 1057 CG1 ILE A 69 -3.707 2.691 -6.147 1.00 0.00 C ATOM 1058 CG2 ILE A 69 -2.129 2.347 -4.191 1.00 0.00 C ATOM 1059 CD1 ILE A 69 -4.236 2.209 -7.514 1.00 0.00 C ATOM 0 H ILE A 69 0.540 1.351 -5.761 1.00 0.00 H new ATOM 0 HA ILE A 69 -1.694 1.189 -7.454 1.00 0.00 H new ATOM 0 HB ILE A 69 -2.982 0.806 -5.435 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -4.534 2.719 -5.438 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -3.341 3.712 -6.250 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -2.993 2.424 -3.530 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -1.399 1.665 -3.756 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -1.678 3.332 -4.314 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -5.026 2.879 -7.855 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -3.422 2.208 -8.239 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -4.634 1.199 -7.415 1.00 0.00 H new ATOM 1071 N TYR A 70 -1.381 3.635 -7.965 1.00 0.00 N ATOM 1072 CA TYR A 70 -1.029 4.954 -8.437 1.00 0.00 C ATOM 1073 C TYR A 70 -2.021 5.968 -7.890 1.00 0.00 C ATOM 1074 O TYR A 70 -3.223 5.739 -7.922 1.00 0.00 O ATOM 1075 CB TYR A 70 -1.009 4.946 -9.961 1.00 0.00 C ATOM 1076 CG TYR A 70 -0.156 3.823 -10.509 1.00 0.00 C ATOM 1077 CD1 TYR A 70 -0.628 2.497 -10.499 1.00 0.00 C ATOM 1078 CD2 TYR A 70 1.078 4.099 -11.111 1.00 0.00 C ATOM 1079 CE1 TYR A 70 0.146 1.462 -11.038 1.00 0.00 C ATOM 1080 CE2 TYR A 70 1.847 3.078 -11.663 1.00 0.00 C ATOM 1081 CZ TYR A 70 1.385 1.752 -11.638 1.00 0.00 C ATOM 1082 OH TYR A 70 2.096 0.776 -12.252 1.00 0.00 O ATOM 0 H TYR A 70 -2.056 3.159 -8.564 1.00 0.00 H new ATOM 0 HA TYR A 70 -0.037 5.237 -8.085 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -2.027 4.845 -10.337 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -0.629 5.901 -10.324 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -1.595 2.276 -10.072 1.00 0.00 H new ATOM 0 HD2 TYR A 70 1.438 5.117 -11.148 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -0.208 0.443 -10.993 1.00 0.00 H new ATOM 0 HE2 TYR A 70 2.802 3.307 -12.112 1.00 0.00 H new ATOM 0 HH TYR A 70 2.374 0.108 -11.591 1.00 0.00 H new ATOM 1092 N TRP A 71 -1.499 7.070 -7.368 1.00 0.00 N ATOM 1093 CA TRP A 71 -2.308 8.189 -6.896 1.00 0.00 C ATOM 1094 C TRP A 71 -2.975 8.923 -8.059 1.00 0.00 C ATOM 1095 O TRP A 71 -2.729 8.611 -9.218 1.00 0.00 O ATOM 1096 CB TRP A 71 -1.420 9.142 -6.092 1.00 0.00 C ATOM 1097 CG TRP A 71 -0.029 9.317 -6.603 1.00 0.00 C ATOM 1098 CD1 TRP A 71 0.396 10.187 -7.543 1.00 0.00 C ATOM 1099 CD2 TRP A 71 1.140 8.578 -6.180 1.00 0.00 C ATOM 1100 NE1 TRP A 71 1.753 10.037 -7.727 1.00 0.00 N ATOM 1101 CE2 TRP A 71 2.259 9.058 -6.905 1.00 0.00 C ATOM 1102 CE3 TRP A 71 1.354 7.555 -5.248 1.00 0.00 C ATOM 1103 CZ2 TRP A 71 3.538 8.528 -6.723 1.00 0.00 C ATOM 1104 CZ3 TRP A 71 2.651 7.076 -5.002 1.00 0.00 C ATOM 1105 CH2 TRP A 71 3.738 7.539 -5.760 1.00 0.00 C ATOM 0 H TRP A 71 -0.495 7.215 -7.259 1.00 0.00 H new ATOM 0 HA TRP A 71 -3.104 7.806 -6.258 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -1.902 10.119 -6.062 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -1.367 8.781 -5.065 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -0.231 10.892 -8.069 1.00 0.00 H new ATOM 0 HE1 TRP A 71 2.309 10.581 -8.387 1.00 0.00 H new ATOM 0 HE3 TRP A 71 0.516 7.131 -4.715 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 4.365 8.881 -7.322 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 2.813 6.345 -4.223 1.00 0.00 H new ATOM 0 HH2 TRP A 71 4.725 7.131 -5.598 1.00 0.00 H new ATOM 1116 N VAL A 72 -3.714 9.988 -7.742 1.00 0.00 N ATOM 1117 CA VAL A 72 -4.391 10.832 -8.741 1.00 0.00 C ATOM 1118 C VAL A 72 -3.405 11.416 -9.763 1.00 0.00 C ATOM 1119 O VAL A 72 -3.744 11.650 -10.915 1.00 0.00 O ATOM 1120 CB VAL A 72 -5.151 11.975 -8.046 1.00 0.00 C ATOM 1121 CG1 VAL A 72 -5.877 12.880 -9.049 1.00 0.00 C ATOM 1122 CG2 VAL A 72 -6.177 11.447 -7.030 1.00 0.00 C ATOM 0 H VAL A 72 -3.863 10.295 -6.781 1.00 0.00 H new ATOM 0 HA VAL A 72 -5.094 10.196 -9.278 1.00 0.00 H new ATOM 0 HB VAL A 72 -4.392 12.557 -7.524 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -6.399 13.672 -8.513 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -5.151 13.322 -9.732 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -6.597 12.290 -9.616 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -6.691 12.287 -6.562 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -6.904 10.816 -7.541 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -5.664 10.864 -6.265 1.00 0.00 H new ATOM 1132 N GLY A 73 -2.174 11.687 -9.325 1.00 0.00 N ATOM 1133 CA GLY A 73 -1.131 12.264 -10.177 1.00 0.00 C ATOM 1134 C GLY A 73 -0.560 11.282 -11.202 1.00 0.00 C ATOM 1135 O GLY A 73 -0.539 11.551 -12.399 1.00 0.00 O ATOM 0 H GLY A 73 -1.871 11.512 -8.367 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -1.540 13.127 -10.703 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -0.320 12.629 -9.547 1.00 0.00 H new ATOM 1139 N LYS A 74 -0.005 10.163 -10.716 1.00 0.00 N ATOM 1140 CA LYS A 74 0.503 9.082 -11.561 1.00 0.00 C ATOM 1141 C LYS A 74 -0.567 8.582 -12.539 1.00 0.00 C ATOM 1142 O LYS A 74 -1.744 8.823 -12.337 1.00 0.00 O ATOM 1143 CB LYS A 74 0.974 7.926 -10.680 1.00 0.00 C ATOM 1144 CG LYS A 74 2.446 8.003 -10.299 1.00 0.00 C ATOM 1145 CD LYS A 74 2.865 6.790 -9.443 1.00 0.00 C ATOM 1146 CE LYS A 74 4.382 6.610 -9.417 1.00 0.00 C ATOM 1147 NZ LYS A 74 4.996 6.725 -10.767 1.00 0.00 N ATOM 0 H LYS A 74 0.103 9.985 -9.718 1.00 0.00 H new ATOM 0 HA LYS A 74 1.337 9.471 -12.145 1.00 0.00 H new ATOM 0 HB2 LYS A 74 0.374 7.907 -9.770 1.00 0.00 H new ATOM 0 HB3 LYS A 74 0.792 6.986 -11.202 1.00 0.00 H new ATOM 0 HG2 LYS A 74 3.056 8.043 -11.201 1.00 0.00 H new ATOM 0 HG3 LYS A 74 2.634 8.924 -9.746 1.00 0.00 H new ATOM 0 HD2 LYS A 74 2.497 6.919 -8.425 1.00 0.00 H new ATOM 0 HD3 LYS A 74 2.399 5.888 -9.839 1.00 0.00 H new ATOM 0 HE2 LYS A 74 4.821 7.358 -8.757 1.00 0.00 H new ATOM 0 HE3 LYS A 74 4.621 5.634 -8.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 6.018 6.545 -10.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 4.563 6.028 -11.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 4.837 7.683 -11.140 1.00 0.00 H new ATOM 1161 N ASN A 75 -0.128 7.834 -13.553 1.00 0.00 N ATOM 1162 CA ASN A 75 -1.028 7.312 -14.581 1.00 0.00 C ATOM 1163 C ASN A 75 -0.822 5.831 -14.880 1.00 0.00 C ATOM 1164 O ASN A 75 -1.792 5.096 -14.968 1.00 0.00 O ATOM 1165 CB ASN A 75 -0.846 8.121 -15.865 1.00 0.00 C ATOM 1166 CG ASN A 75 -1.943 7.849 -16.885 1.00 0.00 C ATOM 1167 OD1 ASN A 75 -3.000 7.316 -16.620 1.00 0.00 O ATOM 1168 ND2 ASN A 75 -1.709 8.223 -18.112 1.00 0.00 N ATOM 0 H ASN A 75 0.850 7.576 -13.684 1.00 0.00 H new ATOM 0 HA ASN A 75 -2.042 7.411 -14.192 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -0.835 9.184 -15.623 1.00 0.00 H new ATOM 0 HB3 ASN A 75 0.122 7.884 -16.306 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -2.411 8.066 -18.836 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -0.824 8.672 -18.348 1.00 0.00 H new ATOM 1175 N ALA A 76 0.447 5.418 -15.041 1.00 0.00 N ATOM 1176 CA ALA A 76 0.837 4.033 -15.311 1.00 0.00 C ATOM 1177 C ALA A 76 -0.049 3.076 -14.504 1.00 0.00 C ATOM 1178 O ALA A 76 -0.350 3.365 -13.355 1.00 0.00 O ATOM 1179 CB ALA A 76 2.346 3.826 -15.024 1.00 0.00 C ATOM 0 H ALA A 76 1.242 6.054 -14.985 1.00 0.00 H new ATOM 0 HA ALA A 76 0.684 3.811 -16.367 1.00 0.00 H new ATOM 0 HB1 ALA A 76 2.617 2.791 -15.230 1.00 0.00 H new ATOM 0 HB2 ALA A 76 2.932 4.488 -15.661 1.00 0.00 H new ATOM 0 HB3 ALA A 76 2.552 4.053 -13.978 1.00 0.00 H new ATOM 1185 N GLU A 77 -0.463 1.968 -15.098 1.00 0.00 N ATOM 1186 CA GLU A 77 -1.289 0.996 -14.393 1.00 0.00 C ATOM 1187 C GLU A 77 -0.462 -0.230 -14.002 1.00 0.00 C ATOM 1188 O GLU A 77 0.628 -0.459 -14.532 1.00 0.00 O ATOM 1189 CB GLU A 77 -2.471 0.610 -15.277 1.00 0.00 C ATOM 1190 CG GLU A 77 -3.724 0.250 -14.465 1.00 0.00 C ATOM 1191 CD GLU A 77 -4.837 -0.355 -15.333 1.00 0.00 C ATOM 1192 OE1 GLU A 77 -4.499 -0.976 -16.365 1.00 0.00 O ATOM 1193 OE2 GLU A 77 -6.024 -0.218 -14.952 1.00 0.00 O ATOM 0 H GLU A 77 -0.243 1.718 -16.062 1.00 0.00 H new ATOM 0 HA GLU A 77 -1.668 1.438 -13.472 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -2.703 1.437 -15.948 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -2.191 -0.239 -15.901 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -3.454 -0.458 -13.682 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -4.101 1.145 -13.969 1.00 0.00 H new ATOM 1200 N TRP A 78 -0.971 -1.023 -13.062 1.00 0.00 N ATOM 1201 CA TRP A 78 -0.322 -2.240 -12.600 1.00 0.00 C ATOM 1202 C TRP A 78 -0.908 -3.444 -13.323 1.00 0.00 C ATOM 1203 O TRP A 78 -2.060 -3.814 -13.094 1.00 0.00 O ATOM 1204 CB TRP A 78 -0.468 -2.397 -11.081 1.00 0.00 C ATOM 1205 CG TRP A 78 0.657 -3.138 -10.463 1.00 0.00 C ATOM 1206 CD1 TRP A 78 0.714 -4.473 -10.282 1.00 0.00 C ATOM 1207 CD2 TRP A 78 1.916 -2.598 -9.997 1.00 0.00 C ATOM 1208 NE1 TRP A 78 1.938 -4.802 -9.741 1.00 0.00 N ATOM 1209 CE2 TRP A 78 2.722 -3.686 -9.569 1.00 0.00 C ATOM 1210 CE3 TRP A 78 2.468 -1.310 -9.932 1.00 0.00 C ATOM 1211 CZ2 TRP A 78 4.017 -3.504 -9.094 1.00 0.00 C ATOM 1212 CZ3 TRP A 78 3.779 -1.122 -9.474 1.00 0.00 C ATOM 1213 CH2 TRP A 78 4.552 -2.200 -9.051 1.00 0.00 C ATOM 0 H TRP A 78 -1.858 -0.833 -12.596 1.00 0.00 H new ATOM 0 HA TRP A 78 0.742 -2.175 -12.827 1.00 0.00 H new ATOM 0 HB2 TRP A 78 -0.539 -1.410 -10.625 1.00 0.00 H new ATOM 0 HB3 TRP A 78 -1.401 -2.917 -10.863 1.00 0.00 H new ATOM 0 HD1 TRP A 78 -0.073 -5.172 -10.522 1.00 0.00 H new ATOM 0 HE1 TRP A 78 2.225 -5.751 -9.500 1.00 0.00 H new ATOM 0 HE3 TRP A 78 1.879 -0.458 -10.237 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 4.603 -4.348 -8.763 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 4.196 -0.126 -9.449 1.00 0.00 H new ATOM 0 HH2 TRP A 78 5.557 -2.038 -8.691 1.00 0.00 H new ATOM 1224 N ALA A 79 -0.120 -4.075 -14.190 1.00 0.00 N ATOM 1225 CA ALA A 79 -0.558 -5.287 -14.864 1.00 0.00 C ATOM 1226 C ALA A 79 -0.813 -6.438 -13.878 1.00 0.00 C ATOM 1227 O ALA A 79 -0.474 -6.377 -12.699 1.00 0.00 O ATOM 1228 CB ALA A 79 0.461 -5.681 -15.937 1.00 0.00 C ATOM 0 H ALA A 79 0.820 -3.767 -14.439 1.00 0.00 H new ATOM 0 HA ALA A 79 -1.513 -5.081 -15.346 1.00 0.00 H new ATOM 0 HB1 ALA A 79 0.128 -6.590 -16.439 1.00 0.00 H new ATOM 0 HB2 ALA A 79 0.551 -4.876 -16.666 1.00 0.00 H new ATOM 0 HB3 ALA A 79 1.430 -5.858 -15.471 1.00 0.00 H new ATOM 1234 N LYS A 80 -1.374 -7.538 -14.387 1.00 0.00 N ATOM 1235 CA LYS A 80 -1.599 -8.746 -13.593 1.00 0.00 C ATOM 1236 C LYS A 80 -0.342 -9.608 -13.491 1.00 0.00 C ATOM 1237 O LYS A 80 0.026 -10.082 -12.424 1.00 0.00 O ATOM 1238 CB LYS A 80 -2.784 -9.501 -14.192 1.00 0.00 C ATOM 1239 CG LYS A 80 -3.353 -10.531 -13.217 1.00 0.00 C ATOM 1240 CD LYS A 80 -4.861 -10.715 -13.442 1.00 0.00 C ATOM 1241 CE LYS A 80 -5.358 -12.101 -13.032 1.00 0.00 C ATOM 1242 NZ LYS A 80 -4.770 -13.167 -13.895 1.00 0.00 N ATOM 0 H LYS A 80 -1.683 -7.615 -15.356 1.00 0.00 H new ATOM 0 HA LYS A 80 -1.837 -8.470 -12.566 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -3.565 -8.792 -14.468 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -2.470 -10.002 -15.108 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -2.842 -11.485 -13.348 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -3.170 -10.209 -12.192 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -5.403 -9.958 -12.875 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -5.089 -10.549 -14.495 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -5.098 -12.289 -11.990 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -6.445 -12.134 -13.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -5.166 -14.090 -13.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -4.996 -12.972 -14.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -3.737 -13.183 -13.772 1.00 0.00 H new ATOM 1256 N ASP A 81 0.317 -9.836 -14.617 1.00 0.00 N ATOM 1257 CA ASP A 81 1.534 -10.638 -14.700 1.00 0.00 C ATOM 1258 C ASP A 81 2.788 -9.751 -14.725 1.00 0.00 C ATOM 1259 O ASP A 81 3.700 -9.929 -15.524 1.00 0.00 O ATOM 1260 CB ASP A 81 1.457 -11.570 -15.911 1.00 0.00 C ATOM 1261 CG ASP A 81 2.662 -12.515 -15.952 1.00 0.00 C ATOM 1262 OD1 ASP A 81 3.240 -12.737 -14.864 1.00 0.00 O ATOM 1263 OD2 ASP A 81 2.927 -13.034 -17.053 1.00 0.00 O ATOM 0 H ASP A 81 0.017 -9.463 -15.518 1.00 0.00 H new ATOM 0 HA ASP A 81 1.615 -11.255 -13.805 1.00 0.00 H new ATOM 0 HB2 ASP A 81 0.536 -12.151 -15.870 1.00 0.00 H new ATOM 0 HB3 ASP A 81 1.421 -10.980 -16.827 1.00 0.00 H new ATOM 1268 N VAL A 82 2.847 -8.754 -13.839 1.00 0.00 N ATOM 1269 CA VAL A 82 4.006 -7.873 -13.741 1.00 0.00 C ATOM 1270 C VAL A 82 4.274 -7.501 -12.291 1.00 0.00 C ATOM 1271 O VAL A 82 3.515 -6.759 -11.681 1.00 0.00 O ATOM 1272 CB VAL A 82 3.808 -6.624 -14.606 1.00 0.00 C ATOM 1273 CG1 VAL A 82 4.990 -5.675 -14.452 1.00 0.00 C ATOM 1274 CG2 VAL A 82 3.723 -6.967 -16.101 1.00 0.00 C ATOM 0 H VAL A 82 2.101 -8.539 -13.178 1.00 0.00 H new ATOM 0 HA VAL A 82 4.879 -8.406 -14.117 1.00 0.00 H new ATOM 0 HB VAL A 82 2.877 -6.169 -14.269 1.00 0.00 H new ATOM 0 HG11 VAL A 82 4.832 -4.794 -15.073 1.00 0.00 H new ATOM 0 HG12 VAL A 82 5.080 -5.372 -13.409 1.00 0.00 H new ATOM 0 HG13 VAL A 82 5.905 -6.180 -14.763 1.00 0.00 H new ATOM 0 HG21 VAL A 82 3.583 -6.052 -16.677 1.00 0.00 H new ATOM 0 HG22 VAL A 82 4.645 -7.456 -16.415 1.00 0.00 H new ATOM 0 HG23 VAL A 82 2.881 -7.637 -16.273 1.00 0.00 H new ATOM 1284 N LYS A 83 5.391 -7.991 -11.743 1.00 0.00 N ATOM 1285 CA LYS A 83 5.820 -7.671 -10.376 1.00 0.00 C ATOM 1286 C LYS A 83 6.295 -6.218 -10.262 1.00 0.00 C ATOM 1287 O LYS A 83 6.445 -5.522 -11.256 1.00 0.00 O ATOM 1288 CB LYS A 83 6.928 -8.625 -9.914 1.00 0.00 C ATOM 1289 CG LYS A 83 8.183 -8.535 -10.794 1.00 0.00 C ATOM 1290 CD LYS A 83 9.432 -9.117 -10.128 1.00 0.00 C ATOM 1291 CE LYS A 83 9.542 -10.623 -10.382 1.00 0.00 C ATOM 1292 NZ LYS A 83 8.717 -11.428 -9.442 1.00 0.00 N ATOM 0 H LYS A 83 6.024 -8.621 -12.235 1.00 0.00 H new ATOM 0 HA LYS A 83 4.954 -7.797 -9.726 1.00 0.00 H new ATOM 0 HB2 LYS A 83 7.194 -8.396 -8.882 1.00 0.00 H new ATOM 0 HB3 LYS A 83 6.551 -9.648 -9.926 1.00 0.00 H new ATOM 0 HG2 LYS A 83 8.000 -9.062 -11.731 1.00 0.00 H new ATOM 0 HG3 LYS A 83 8.367 -7.491 -11.046 1.00 0.00 H new ATOM 0 HD2 LYS A 83 10.320 -8.615 -10.512 1.00 0.00 H new ATOM 0 HD3 LYS A 83 9.397 -8.928 -9.055 1.00 0.00 H new ATOM 0 HE2 LYS A 83 9.233 -10.838 -11.405 1.00 0.00 H new ATOM 0 HE3 LYS A 83 10.585 -10.926 -10.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 9.130 -12.377 -9.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 8.694 -10.961 -8.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 7.749 -11.509 -9.812 1.00 0.00 H new ATOM 1306 N THR A 84 6.686 -5.794 -9.058 1.00 0.00 N ATOM 1307 CA THR A 84 7.166 -4.423 -8.799 1.00 0.00 C ATOM 1308 C THR A 84 8.501 -4.089 -9.450 1.00 0.00 C ATOM 1309 O THR A 84 8.586 -3.207 -10.294 1.00 0.00 O ATOM 1310 CB THR A 84 7.273 -4.125 -7.301 1.00 0.00 C ATOM 1311 OG1 THR A 84 8.114 -5.083 -6.700 1.00 0.00 O ATOM 1312 CG2 THR A 84 5.937 -4.204 -6.575 1.00 0.00 C ATOM 0 H THR A 84 6.681 -6.389 -8.229 1.00 0.00 H new ATOM 0 HA THR A 84 6.405 -3.792 -9.258 1.00 0.00 H new ATOM 0 HB THR A 84 7.658 -3.109 -7.219 1.00 0.00 H new ATOM 0 HG1 THR A 84 8.188 -4.897 -5.741 1.00 0.00 H new ATOM 0 HG21 THR A 84 6.084 -3.982 -5.518 1.00 0.00 H new ATOM 0 HG22 THR A 84 5.246 -3.479 -7.005 1.00 0.00 H new ATOM 0 HG23 THR A 84 5.524 -5.207 -6.681 1.00 0.00 H new ATOM 1320 N SER A 85 9.564 -4.794 -9.056 1.00 0.00 N ATOM 1321 CA SER A 85 10.911 -4.619 -9.601 1.00 0.00 C ATOM 1322 C SER A 85 10.920 -4.625 -11.136 1.00 0.00 C ATOM 1323 O SER A 85 11.768 -3.999 -11.767 1.00 0.00 O ATOM 1324 CB SER A 85 11.819 -5.731 -9.068 1.00 0.00 C ATOM 1325 OG SER A 85 13.147 -5.554 -9.501 1.00 0.00 O ATOM 0 H SER A 85 9.511 -5.515 -8.337 1.00 0.00 H new ATOM 0 HA SER A 85 11.280 -3.645 -9.280 1.00 0.00 H new ATOM 0 HB2 SER A 85 11.787 -5.740 -7.979 1.00 0.00 H new ATOM 0 HB3 SER A 85 11.449 -6.699 -9.406 1.00 0.00 H new ATOM 0 HG SER A 85 13.706 -6.276 -9.146 1.00 0.00 H new ATOM 1331 N GLN A 86 9.968 -5.342 -11.729 1.00 0.00 N ATOM 1332 CA GLN A 86 9.765 -5.388 -13.161 1.00 0.00 C ATOM 1333 C GLN A 86 8.945 -4.198 -13.656 1.00 0.00 C ATOM 1334 O GLN A 86 9.341 -3.619 -14.662 1.00 0.00 O ATOM 1335 CB GLN A 86 9.092 -6.702 -13.530 1.00 0.00 C ATOM 1336 CG GLN A 86 8.825 -6.774 -15.035 1.00 0.00 C ATOM 1337 CD GLN A 86 8.817 -8.197 -15.565 1.00 0.00 C ATOM 1338 OE1 GLN A 86 9.452 -9.087 -15.023 1.00 0.00 O ATOM 1339 NE2 GLN A 86 8.108 -8.441 -16.642 1.00 0.00 N ATOM 0 H GLN A 86 9.306 -5.917 -11.209 1.00 0.00 H new ATOM 0 HA GLN A 86 10.737 -5.327 -13.651 1.00 0.00 H new ATOM 0 HB2 GLN A 86 9.725 -7.537 -13.228 1.00 0.00 H new ATOM 0 HB3 GLN A 86 8.153 -6.800 -12.985 1.00 0.00 H new ATOM 0 HG2 GLN A 86 7.865 -6.305 -15.252 1.00 0.00 H new ATOM 0 HG3 GLN A 86 9.587 -6.199 -15.562 1.00 0.00 H new ATOM 0 HE21 GLN A 86 7.581 -7.689 -17.087 1.00 0.00 H new ATOM 0 HE22 GLN A 86 8.084 -9.382 -17.034 1.00 0.00 H new ATOM 1348 N GLN A 87 7.831 -3.859 -12.994 1.00 0.00 N ATOM 1349 CA GLN A 87 6.911 -2.783 -13.357 1.00 0.00 C ATOM 1350 C GLN A 87 7.686 -1.527 -13.735 1.00 0.00 C ATOM 1351 O GLN A 87 8.572 -1.077 -13.007 1.00 0.00 O ATOM 1352 CB GLN A 87 5.951 -2.433 -12.203 1.00 0.00 C ATOM 1353 CG GLN A 87 4.599 -1.886 -12.699 1.00 0.00 C ATOM 1354 CD GLN A 87 3.683 -2.969 -13.279 1.00 0.00 C ATOM 1355 OE1 GLN A 87 3.289 -2.926 -14.433 1.00 0.00 O ATOM 1356 NE2 GLN A 87 3.362 -3.985 -12.514 1.00 0.00 N ATOM 0 H GLN A 87 7.537 -4.353 -12.152 1.00 0.00 H new ATOM 0 HA GLN A 87 6.327 -3.140 -14.205 1.00 0.00 H new ATOM 0 HB2 GLN A 87 5.778 -3.323 -11.597 1.00 0.00 H new ATOM 0 HB3 GLN A 87 6.422 -1.693 -11.556 1.00 0.00 H new ATOM 0 HG2 GLN A 87 4.089 -1.393 -11.871 1.00 0.00 H new ATOM 0 HG3 GLN A 87 4.779 -1.127 -13.460 1.00 0.00 H new ATOM 0 HE21 GLN A 87 3.691 -4.021 -11.549 1.00 0.00 H new ATOM 0 HE22 GLN A 87 2.783 -4.739 -12.884 1.00 0.00 H new ATOM 1365 N LYS A 88 7.315 -0.905 -14.849 1.00 0.00 N ATOM 1366 CA LYS A 88 8.003 0.264 -15.387 1.00 0.00 C ATOM 1367 C LYS A 88 7.062 1.455 -15.404 1.00 0.00 C ATOM 1368 O LYS A 88 6.300 1.645 -16.341 1.00 0.00 O ATOM 1369 CB LYS A 88 8.557 -0.031 -16.788 1.00 0.00 C ATOM 1370 CG LYS A 88 9.343 -1.339 -16.914 1.00 0.00 C ATOM 1371 CD LYS A 88 10.671 -1.287 -16.145 1.00 0.00 C ATOM 1372 CE LYS A 88 11.527 -2.501 -16.505 1.00 0.00 C ATOM 1373 NZ LYS A 88 12.592 -2.730 -15.500 1.00 0.00 N ATOM 0 H LYS A 88 6.518 -1.202 -15.411 1.00 0.00 H new ATOM 0 HA LYS A 88 8.849 0.506 -14.744 1.00 0.00 H new ATOM 0 HB2 LYS A 88 7.726 -0.056 -17.493 1.00 0.00 H new ATOM 0 HB3 LYS A 88 9.204 0.794 -17.087 1.00 0.00 H new ATOM 0 HG2 LYS A 88 8.738 -2.164 -16.537 1.00 0.00 H new ATOM 0 HG3 LYS A 88 9.541 -1.543 -17.966 1.00 0.00 H new ATOM 0 HD2 LYS A 88 11.206 -0.369 -16.387 1.00 0.00 H new ATOM 0 HD3 LYS A 88 10.480 -1.271 -15.072 1.00 0.00 H new ATOM 0 HE2 LYS A 88 10.895 -3.386 -16.575 1.00 0.00 H new ATOM 0 HE3 LYS A 88 11.977 -2.352 -17.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 13.155 -3.561 -15.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 13.209 -1.894 -15.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 12.160 -2.896 -14.568 1.00 0.00 H new ATOM 1387 N GLY A 89 7.078 2.234 -14.328 1.00 0.00 N ATOM 1388 CA GLY A 89 6.216 3.411 -14.215 1.00 0.00 C ATOM 1389 C GLY A 89 5.334 3.440 -12.979 1.00 0.00 C ATOM 1390 O GLY A 89 4.730 4.468 -12.657 1.00 0.00 O ATOM 0 H GLY A 89 7.678 2.074 -13.519 1.00 0.00 H new ATOM 0 HA2 GLY A 89 6.842 4.303 -14.218 1.00 0.00 H new ATOM 0 HA3 GLY A 89 5.580 3.464 -15.099 1.00 0.00 H new ATOM 1394 N GLY A 90 5.368 2.345 -12.221 1.00 0.00 N ATOM 1395 CA GLY A 90 4.737 2.190 -10.913 1.00 0.00 C ATOM 1396 C GLY A 90 5.667 2.144 -9.716 1.00 0.00 C ATOM 1397 O GLY A 90 5.433 1.407 -8.776 1.00 0.00 O ATOM 0 H GLY A 90 5.860 1.502 -12.517 1.00 0.00 H new ATOM 0 HA2 GLY A 90 4.038 3.014 -10.771 1.00 0.00 H new ATOM 0 HA3 GLY A 90 4.149 1.272 -10.924 1.00 0.00 H new ATOM 1401 N PRO A 91 6.662 3.024 -9.623 1.00 0.00 N ATOM 1402 CA PRO A 91 7.538 3.085 -8.468 1.00 0.00 C ATOM 1403 C PRO A 91 6.849 3.577 -7.189 1.00 0.00 C ATOM 1404 O PRO A 91 7.509 3.783 -6.177 1.00 0.00 O ATOM 1405 CB PRO A 91 8.660 4.044 -8.882 1.00 0.00 C ATOM 1406 CG PRO A 91 7.983 4.969 -9.890 1.00 0.00 C ATOM 1407 CD PRO A 91 6.986 4.052 -10.569 1.00 0.00 C ATOM 0 HA PRO A 91 7.892 2.087 -8.212 1.00 0.00 H new ATOM 0 HB2 PRO A 91 9.050 4.598 -8.028 1.00 0.00 H new ATOM 0 HB3 PRO A 91 9.500 3.511 -9.327 1.00 0.00 H new ATOM 0 HG2 PRO A 91 7.491 5.810 -9.401 1.00 0.00 H new ATOM 0 HG3 PRO A 91 8.697 5.386 -10.600 1.00 0.00 H new ATOM 0 HD2 PRO A 91 6.092 4.602 -10.864 1.00 0.00 H new ATOM 0 HD3 PRO A 91 7.410 3.623 -11.477 1.00 0.00 H new ATOM 1415 N THR A 92 5.530 3.786 -7.237 1.00 0.00 N ATOM 1416 CA THR A 92 4.700 4.137 -6.093 1.00 0.00 C ATOM 1417 C THR A 92 5.020 3.266 -4.867 1.00 0.00 C ATOM 1418 O THR A 92 4.849 2.041 -4.886 1.00 0.00 O ATOM 1419 CB THR A 92 3.201 4.112 -6.421 1.00 0.00 C ATOM 1420 OG1 THR A 92 2.481 4.190 -5.220 1.00 0.00 O ATOM 1421 CG2 THR A 92 2.791 2.879 -7.228 1.00 0.00 C ATOM 0 H THR A 92 4.998 3.712 -8.104 1.00 0.00 H new ATOM 0 HA THR A 92 4.949 5.168 -5.840 1.00 0.00 H new ATOM 0 HB THR A 92 2.973 4.969 -7.054 1.00 0.00 H new ATOM 0 HG1 THR A 92 2.050 5.067 -5.154 1.00 0.00 H new ATOM 0 HG21 THR A 92 1.721 2.916 -7.430 1.00 0.00 H new ATOM 0 HG22 THR A 92 3.338 2.863 -8.171 1.00 0.00 H new ATOM 0 HG23 THR A 92 3.022 1.978 -6.659 1.00 0.00 H new ATOM 1429 N PRO A 93 5.531 3.896 -3.797 1.00 0.00 N ATOM 1430 CA PRO A 93 5.845 3.199 -2.569 1.00 0.00 C ATOM 1431 C PRO A 93 4.605 2.801 -1.783 1.00 0.00 C ATOM 1432 O PRO A 93 4.673 1.889 -0.963 1.00 0.00 O ATOM 1433 CB PRO A 93 6.634 4.220 -1.778 1.00 0.00 C ATOM 1434 CG PRO A 93 6.205 5.584 -2.248 1.00 0.00 C ATOM 1435 CD PRO A 93 5.907 5.301 -3.707 1.00 0.00 C ATOM 0 HA PRO A 93 6.377 2.268 -2.767 1.00 0.00 H new ATOM 0 HB2 PRO A 93 6.447 4.106 -0.710 1.00 0.00 H new ATOM 0 HB3 PRO A 93 7.704 4.080 -1.931 1.00 0.00 H new ATOM 0 HG2 PRO A 93 5.330 5.950 -1.711 1.00 0.00 H new ATOM 0 HG3 PRO A 93 6.990 6.330 -2.124 1.00 0.00 H new ATOM 0 HD2 PRO A 93 5.101 5.940 -4.068 1.00 0.00 H new ATOM 0 HD3 PRO A 93 6.780 5.508 -4.327 1.00 0.00 H new ATOM 1443 N ILE A 94 3.517 3.540 -1.993 1.00 0.00 N ATOM 1444 CA ILE A 94 2.243 3.316 -1.343 1.00 0.00 C ATOM 1445 C ILE A 94 1.703 1.945 -1.732 1.00 0.00 C ATOM 1446 O ILE A 94 1.715 1.594 -2.914 1.00 0.00 O ATOM 1447 CB ILE A 94 1.211 4.394 -1.716 1.00 0.00 C ATOM 1448 CG1 ILE A 94 1.712 5.802 -1.356 1.00 0.00 C ATOM 1449 CG2 ILE A 94 -0.105 4.158 -0.968 1.00 0.00 C ATOM 1450 CD1 ILE A 94 0.936 6.932 -2.013 1.00 0.00 C ATOM 0 H ILE A 94 3.505 4.330 -2.638 1.00 0.00 H new ATOM 0 HA ILE A 94 2.408 3.366 -0.267 1.00 0.00 H new ATOM 0 HB ILE A 94 1.057 4.326 -2.793 1.00 0.00 H new ATOM 0 HG12 ILE A 94 1.664 5.926 -0.274 1.00 0.00 H new ATOM 0 HG13 ILE A 94 2.761 5.885 -1.640 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -0.824 4.930 -1.244 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -0.504 3.179 -1.234 1.00 0.00 H new ATOM 0 HG23 ILE A 94 0.075 4.197 0.106 1.00 0.00 H new ATOM 0 HD11 ILE A 94 1.356 7.889 -1.704 1.00 0.00 H new ATOM 0 HD12 ILE A 94 1.004 6.838 -3.097 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -0.110 6.880 -1.709 1.00 0.00 H new ATOM 1462 N ARG A 95 1.195 1.188 -0.763 1.00 0.00 N ATOM 1463 CA ARG A 95 0.591 -0.122 -0.988 1.00 0.00 C ATOM 1464 C ARG A 95 -0.607 -0.365 -0.074 1.00 0.00 C ATOM 1465 O ARG A 95 -0.497 -0.261 1.146 1.00 0.00 O ATOM 1466 CB ARG A 95 1.650 -1.215 -0.796 1.00 0.00 C ATOM 1467 CG ARG A 95 2.435 -1.529 -2.068 1.00 0.00 C ATOM 1468 CD ARG A 95 3.831 -2.022 -1.741 1.00 0.00 C ATOM 1469 NE ARG A 95 4.775 -1.706 -2.816 1.00 0.00 N ATOM 1470 CZ ARG A 95 6.080 -1.685 -2.659 1.00 0.00 C ATOM 1471 NH1 ARG A 95 6.645 -2.004 -1.527 1.00 0.00 N ATOM 1472 NH2 ARG A 95 6.845 -1.370 -3.665 1.00 0.00 N ATOM 0 H ARG A 95 1.192 1.472 0.217 1.00 0.00 H new ATOM 0 HA ARG A 95 0.219 -0.152 -2.012 1.00 0.00 H new ATOM 0 HB2 ARG A 95 2.345 -0.904 -0.016 1.00 0.00 H new ATOM 0 HB3 ARG A 95 1.163 -2.125 -0.445 1.00 0.00 H new ATOM 0 HG2 ARG A 95 1.906 -2.285 -2.648 1.00 0.00 H new ATOM 0 HG3 ARG A 95 2.498 -0.636 -2.690 1.00 0.00 H new ATOM 0 HD2 ARG A 95 4.171 -1.567 -0.811 1.00 0.00 H new ATOM 0 HD3 ARG A 95 3.809 -3.100 -1.579 1.00 0.00 H new ATOM 0 HE ARG A 95 4.398 -1.490 -3.739 1.00 0.00 H new ATOM 0 HH11 ARG A 95 6.071 -2.280 -0.730 1.00 0.00 H new ATOM 0 HH12 ARG A 95 7.661 -1.977 -1.439 1.00 0.00 H new ATOM 0 HH21 ARG A 95 6.431 -1.141 -4.569 1.00 0.00 H new ATOM 0 HH22 ARG A 95 7.858 -1.352 -3.549 1.00 0.00 H new ATOM 1486 N VAL A 96 -1.767 -0.667 -0.647 1.00 0.00 N ATOM 1487 CA VAL A 96 -2.967 -1.014 0.127 1.00 0.00 C ATOM 1488 C VAL A 96 -2.736 -2.295 0.916 1.00 0.00 C ATOM 1489 O VAL A 96 -2.196 -3.247 0.369 1.00 0.00 O ATOM 1490 CB VAL A 96 -4.204 -1.136 -0.772 1.00 0.00 C ATOM 1491 CG1 VAL A 96 -4.029 -2.160 -1.889 1.00 0.00 C ATOM 1492 CG2 VAL A 96 -5.467 -1.437 0.051 1.00 0.00 C ATOM 0 H VAL A 96 -1.908 -0.680 -1.657 1.00 0.00 H new ATOM 0 HA VAL A 96 -3.159 -0.204 0.830 1.00 0.00 H new ATOM 0 HB VAL A 96 -4.327 -0.165 -1.252 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -4.937 -2.201 -2.491 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -3.188 -1.870 -2.520 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -3.836 -3.142 -1.456 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -6.325 -1.517 -0.616 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -5.336 -2.376 0.588 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -5.637 -0.631 0.765 1.00 0.00 H new ATOM 1502 N VAL A 97 -3.147 -2.318 2.179 1.00 0.00 N ATOM 1503 CA VAL A 97 -3.094 -3.459 3.087 1.00 0.00 C ATOM 1504 C VAL A 97 -4.495 -3.940 3.442 1.00 0.00 C ATOM 1505 O VAL A 97 -5.428 -3.160 3.656 1.00 0.00 O ATOM 1506 CB VAL A 97 -2.278 -3.190 4.357 1.00 0.00 C ATOM 1507 CG1 VAL A 97 -2.056 -4.461 5.187 1.00 0.00 C ATOM 1508 CG2 VAL A 97 -0.947 -2.545 3.966 1.00 0.00 C ATOM 0 H VAL A 97 -3.550 -1.493 2.623 1.00 0.00 H new ATOM 0 HA VAL A 97 -2.572 -4.249 2.547 1.00 0.00 H new ATOM 0 HB VAL A 97 -2.843 -2.508 4.993 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -1.473 -4.218 6.076 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -3.020 -4.873 5.486 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -1.517 -5.196 4.589 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -0.360 -2.350 4.863 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -0.395 -3.218 3.310 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -1.137 -1.606 3.445 1.00 0.00 H new ATOM 1518 N TYR A 98 -4.659 -5.255 3.479 1.00 0.00 N ATOM 1519 CA TYR A 98 -5.912 -5.927 3.766 1.00 0.00 C ATOM 1520 C TYR A 98 -5.666 -7.278 4.434 1.00 0.00 C ATOM 1521 O TYR A 98 -4.665 -7.939 4.193 1.00 0.00 O ATOM 1522 CB TYR A 98 -6.714 -6.084 2.469 1.00 0.00 C ATOM 1523 CG TYR A 98 -5.915 -6.460 1.239 1.00 0.00 C ATOM 1524 CD1 TYR A 98 -4.985 -5.572 0.668 1.00 0.00 C ATOM 1525 CD2 TYR A 98 -6.111 -7.712 0.655 1.00 0.00 C ATOM 1526 CE1 TYR A 98 -4.228 -5.943 -0.448 1.00 0.00 C ATOM 1527 CE2 TYR A 98 -5.400 -8.069 -0.496 1.00 0.00 C ATOM 1528 CZ TYR A 98 -4.465 -7.181 -1.050 1.00 0.00 C ATOM 1529 OH TYR A 98 -3.798 -7.504 -2.172 1.00 0.00 O ATOM 0 H TYR A 98 -3.892 -5.904 3.303 1.00 0.00 H new ATOM 0 HA TYR A 98 -6.490 -5.323 4.465 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -7.479 -6.844 2.628 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -7.232 -5.146 2.269 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -4.854 -4.590 1.098 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -6.813 -8.407 1.092 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -3.470 -5.281 -0.839 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -5.571 -9.030 -0.959 1.00 0.00 H new ATOM 0 HH TYR A 98 -4.209 -8.295 -2.581 1.00 0.00 H new ATOM 1539 N ALA A 99 -6.595 -7.687 5.292 1.00 0.00 N ATOM 1540 CA ALA A 99 -6.540 -8.988 5.950 1.00 0.00 C ATOM 1541 C ALA A 99 -7.126 -10.093 5.069 1.00 0.00 C ATOM 1542 O ALA A 99 -7.923 -9.829 4.169 1.00 0.00 O ATOM 1543 CB ALA A 99 -7.267 -8.900 7.296 1.00 0.00 C ATOM 0 H ALA A 99 -7.407 -7.126 5.551 1.00 0.00 H new ATOM 0 HA ALA A 99 -5.497 -9.252 6.123 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -7.230 -9.869 7.794 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -6.783 -8.151 7.923 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -8.306 -8.617 7.130 1.00 0.00 H new ATOM 1549 N ASN A 100 -6.772 -11.339 5.376 1.00 0.00 N ATOM 1550 CA ASN A 100 -7.259 -12.536 4.700 1.00 0.00 C ATOM 1551 C ASN A 100 -8.479 -13.134 5.423 1.00 0.00 C ATOM 1552 O ASN A 100 -8.632 -14.352 5.528 1.00 0.00 O ATOM 1553 CB ASN A 100 -6.101 -13.532 4.556 1.00 0.00 C ATOM 1554 CG ASN A 100 -6.239 -14.493 3.389 1.00 0.00 C ATOM 1555 OD1 ASN A 100 -5.388 -14.566 2.518 1.00 0.00 O ATOM 1556 ND2 ASN A 100 -7.336 -15.210 3.307 1.00 0.00 N ATOM 0 H ASN A 100 -6.116 -11.549 6.128 1.00 0.00 H new ATOM 0 HA ASN A 100 -7.611 -12.278 3.701 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -5.171 -12.975 4.443 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -6.018 -14.109 5.477 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -7.480 -15.832 2.512 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -8.044 -15.145 4.038 1.00 0.00 H new ATOM 1563 N SER A 101 -9.377 -12.298 5.942 1.00 0.00 N ATOM 1564 CA SER A 101 -10.547 -12.794 6.671 1.00 0.00 C ATOM 1565 C SER A 101 -11.549 -13.476 5.720 1.00 0.00 C ATOM 1566 O SER A 101 -12.189 -12.812 4.909 1.00 0.00 O ATOM 1567 CB SER A 101 -11.237 -11.639 7.393 1.00 0.00 C ATOM 1568 OG SER A 101 -12.014 -12.141 8.468 1.00 0.00 O ATOM 0 H SER A 101 -9.320 -11.282 5.873 1.00 0.00 H new ATOM 0 HA SER A 101 -10.204 -13.531 7.397 1.00 0.00 H new ATOM 0 HB2 SER A 101 -10.493 -10.936 7.767 1.00 0.00 H new ATOM 0 HB3 SER A 101 -11.873 -11.091 6.698 1.00 0.00 H new ATOM 0 HG SER A 101 -12.454 -11.397 8.930 1.00 0.00 H new ATOM 1574 N ARG A 102 -11.750 -14.798 5.833 1.00 0.00 N ATOM 1575 CA ARG A 102 -12.668 -15.583 4.974 1.00 0.00 C ATOM 1576 C ARG A 102 -12.592 -15.164 3.490 1.00 0.00 C ATOM 1577 O ARG A 102 -13.613 -15.064 2.811 1.00 0.00 O ATOM 1578 CB ARG A 102 -14.102 -15.395 5.489 1.00 0.00 C ATOM 1579 CG ARG A 102 -14.364 -16.008 6.872 1.00 0.00 C ATOM 1580 CD ARG A 102 -15.602 -15.411 7.556 1.00 0.00 C ATOM 1581 NE ARG A 102 -15.481 -13.951 7.763 1.00 0.00 N ATOM 1582 CZ ARG A 102 -15.892 -12.996 6.948 1.00 0.00 C ATOM 1583 NH1 ARG A 102 -16.495 -13.283 5.828 1.00 0.00 N ATOM 1584 NH2 ARG A 102 -15.668 -11.743 7.219 1.00 0.00 N ATOM 0 H ARG A 102 -11.274 -15.367 6.534 1.00 0.00 H new ATOM 0 HA ARG A 102 -12.367 -16.629 5.026 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -14.324 -14.329 5.530 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -14.794 -15.837 4.772 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -14.494 -17.085 6.769 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -13.492 -15.851 7.506 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -16.484 -15.618 6.950 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -15.754 -15.901 8.518 1.00 0.00 H new ATOM 0 HE ARG A 102 -15.032 -13.649 8.628 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -16.656 -14.257 5.570 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -16.806 -12.534 5.210 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -15.169 -11.487 8.071 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -15.992 -11.017 6.580 1.00 0.00 H new ATOM 1598 N GLY A 103 -11.399 -14.827 3.013 1.00 0.00 N ATOM 1599 CA GLY A 103 -11.168 -14.313 1.665 1.00 0.00 C ATOM 1600 C GLY A 103 -11.612 -12.857 1.449 1.00 0.00 C ATOM 1601 O GLY A 103 -10.998 -12.122 0.683 1.00 0.00 O ATOM 0 H GLY A 103 -10.545 -14.905 3.565 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -10.105 -14.392 1.438 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -11.694 -14.949 0.953 1.00 0.00 H new ATOM 1605 N ALA A 104 -12.686 -12.413 2.105 1.00 0.00 N ATOM 1606 CA ALA A 104 -13.106 -11.019 2.059 1.00 0.00 C ATOM 1607 C ALA A 104 -12.063 -10.075 2.672 1.00 0.00 C ATOM 1608 O ALA A 104 -11.605 -10.247 3.801 1.00 0.00 O ATOM 1609 CB ALA A 104 -14.467 -10.862 2.734 1.00 0.00 C ATOM 0 H ALA A 104 -13.283 -13.009 2.679 1.00 0.00 H new ATOM 0 HA ALA A 104 -13.198 -10.732 1.011 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -14.774 -9.817 2.695 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -15.203 -11.476 2.215 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -14.396 -11.181 3.774 1.00 0.00 H new ATOM 1615 N VAL A 105 -11.711 -9.039 1.922 1.00 0.00 N ATOM 1616 CA VAL A 105 -10.767 -8.033 2.380 1.00 0.00 C ATOM 1617 C VAL A 105 -11.470 -7.022 3.274 1.00 0.00 C ATOM 1618 O VAL A 105 -12.585 -6.595 2.975 1.00 0.00 O ATOM 1619 CB VAL A 105 -10.087 -7.360 1.185 1.00 0.00 C ATOM 1620 CG1 VAL A 105 -9.424 -8.400 0.278 1.00 0.00 C ATOM 1621 CG2 VAL A 105 -11.017 -6.480 0.352 1.00 0.00 C ATOM 0 H VAL A 105 -12.072 -8.874 0.982 1.00 0.00 H new ATOM 0 HA VAL A 105 -9.989 -8.514 2.973 1.00 0.00 H new ATOM 0 HB VAL A 105 -9.335 -6.701 1.618 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -8.948 -7.898 -0.564 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -8.673 -8.951 0.844 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -10.179 -9.093 -0.093 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -10.458 -6.040 -0.474 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -11.833 -7.085 -0.043 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -11.424 -5.686 0.978 1.00 0.00 H new ATOM 1631 N GLN A 106 -10.820 -6.631 4.366 1.00 0.00 N ATOM 1632 CA GLN A 106 -11.354 -5.619 5.284 1.00 0.00 C ATOM 1633 C GLN A 106 -10.744 -4.236 5.063 1.00 0.00 C ATOM 1634 O GLN A 106 -10.905 -3.377 5.922 1.00 0.00 O ATOM 1635 CB GLN A 106 -11.233 -6.093 6.738 1.00 0.00 C ATOM 1636 CG GLN A 106 -9.807 -5.991 7.294 1.00 0.00 C ATOM 1637 CD GLN A 106 -9.730 -6.370 8.773 1.00 0.00 C ATOM 1638 OE1 GLN A 106 -10.296 -7.344 9.251 1.00 0.00 O ATOM 1639 NE2 GLN A 106 -9.014 -5.595 9.552 1.00 0.00 N ATOM 0 H GLN A 106 -9.911 -7.003 4.643 1.00 0.00 H new ATOM 0 HA GLN A 106 -12.414 -5.501 5.061 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -11.902 -5.501 7.362 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -11.568 -7.128 6.804 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -9.149 -6.643 6.720 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -9.441 -4.973 7.163 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -8.538 -4.781 9.163 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -8.933 -5.807 10.547 1.00 0.00 H new ATOM 1648 N TYR A 107 -10.031 -4.032 3.948 1.00 0.00 N ATOM 1649 CA TYR A 107 -9.261 -2.823 3.687 1.00 0.00 C ATOM 1650 C TYR A 107 -8.609 -2.306 4.971 1.00 0.00 C ATOM 1651 O TYR A 107 -8.903 -1.218 5.450 1.00 0.00 O ATOM 1652 CB TYR A 107 -10.175 -1.786 3.048 1.00 0.00 C ATOM 1653 CG TYR A 107 -9.598 -0.402 2.905 1.00 0.00 C ATOM 1654 CD1 TYR A 107 -8.260 -0.247 2.526 1.00 0.00 C ATOM 1655 CD2 TYR A 107 -10.370 0.722 3.242 1.00 0.00 C ATOM 1656 CE1 TYR A 107 -7.698 1.028 2.474 1.00 0.00 C ATOM 1657 CE2 TYR A 107 -9.805 2.005 3.206 1.00 0.00 C ATOM 1658 CZ TYR A 107 -8.466 2.158 2.798 1.00 0.00 C ATOM 1659 OH TYR A 107 -7.903 3.388 2.733 1.00 0.00 O ATOM 0 H TYR A 107 -9.976 -4.717 3.194 1.00 0.00 H new ATOM 0 HA TYR A 107 -8.448 -3.042 2.994 1.00 0.00 H new ATOM 0 HB2 TYR A 107 -10.463 -2.143 2.059 1.00 0.00 H new ATOM 0 HB3 TYR A 107 -11.087 -1.719 3.641 1.00 0.00 H new ATOM 0 HD1 TYR A 107 -7.664 -1.112 2.275 1.00 0.00 H new ATOM 0 HD2 TYR A 107 -11.403 0.598 3.530 1.00 0.00 H new ATOM 0 HE1 TYR A 107 -6.665 1.147 2.183 1.00 0.00 H new ATOM 0 HE2 TYR A 107 -10.391 2.867 3.488 1.00 0.00 H new ATOM 0 HH TYR A 107 -8.565 4.065 2.986 1.00 0.00 H new ATOM 1669 N CYS A 108 -7.751 -3.137 5.563 1.00 0.00 N ATOM 1670 CA CYS A 108 -7.034 -2.771 6.783 1.00 0.00 C ATOM 1671 C CYS A 108 -6.480 -1.330 6.744 1.00 0.00 C ATOM 1672 O CYS A 108 -6.487 -0.621 7.750 1.00 0.00 O ATOM 1673 CB CYS A 108 -5.907 -3.780 7.015 1.00 0.00 C ATOM 1674 SG CYS A 108 -5.004 -3.463 8.542 1.00 0.00 S ATOM 0 H CYS A 108 -7.536 -4.071 5.215 1.00 0.00 H new ATOM 0 HA CYS A 108 -7.741 -2.798 7.612 1.00 0.00 H new ATOM 0 HB2 CYS A 108 -6.325 -4.786 7.045 1.00 0.00 H new ATOM 0 HB3 CYS A 108 -5.215 -3.747 6.173 1.00 0.00 H new ATOM 1679 N GLY A 109 -6.033 -0.910 5.567 1.00 0.00 N ATOM 1680 CA GLY A 109 -5.624 0.445 5.277 1.00 0.00 C ATOM 1681 C GLY A 109 -4.458 0.463 4.308 1.00 0.00 C ATOM 1682 O GLY A 109 -3.852 -0.559 4.040 1.00 0.00 O ATOM 0 H GLY A 109 -5.945 -1.532 4.763 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -6.462 0.999 4.854 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -5.342 0.950 6.201 1.00 0.00 H new ATOM 1686 N VAL A 110 -4.103 1.626 3.796 1.00 0.00 N ATOM 1687 CA VAL A 110 -2.959 1.780 2.892 1.00 0.00 C ATOM 1688 C VAL A 110 -1.743 2.308 3.632 1.00 0.00 C ATOM 1689 O VAL A 110 -1.901 2.993 4.630 1.00 0.00 O ATOM 1690 CB VAL A 110 -3.296 2.755 1.763 1.00 0.00 C ATOM 1691 CG1 VAL A 110 -2.544 2.388 0.492 1.00 0.00 C ATOM 1692 CG2 VAL A 110 -4.779 2.790 1.433 1.00 0.00 C ATOM 0 H VAL A 110 -4.595 2.498 3.990 1.00 0.00 H new ATOM 0 HA VAL A 110 -2.736 0.795 2.483 1.00 0.00 H new ATOM 0 HB VAL A 110 -2.996 3.739 2.124 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -2.798 3.094 -0.298 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -1.471 2.425 0.680 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -2.823 1.381 0.182 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -4.955 3.500 0.625 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -5.106 1.798 1.122 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -5.341 3.098 2.315 1.00 0.00 H new ATOM 1702 N MET A 111 -0.538 1.997 3.171 1.00 0.00 N ATOM 1703 CA MET A 111 0.723 2.412 3.797 1.00 0.00 C ATOM 1704 C MET A 111 1.638 3.030 2.769 1.00 0.00 C ATOM 1705 O MET A 111 1.396 2.909 1.572 1.00 0.00 O ATOM 1706 CB MET A 111 1.446 1.240 4.493 1.00 0.00 C ATOM 1707 CG MET A 111 1.425 -0.062 3.689 1.00 0.00 C ATOM 1708 SD MET A 111 2.694 -0.143 2.418 1.00 0.00 S ATOM 1709 CE MET A 111 3.330 -1.807 2.719 1.00 0.00 C ATOM 0 H MET A 111 -0.401 1.435 2.331 1.00 0.00 H new ATOM 0 HA MET A 111 0.472 3.148 4.561 1.00 0.00 H new ATOM 0 HB2 MET A 111 2.482 1.524 4.681 1.00 0.00 H new ATOM 0 HB3 MET A 111 0.983 1.064 5.464 1.00 0.00 H new ATOM 0 HG2 MET A 111 1.552 -0.903 4.371 1.00 0.00 H new ATOM 0 HG3 MET A 111 0.447 -0.175 3.222 1.00 0.00 H new ATOM 0 HE1 MET A 111 4.107 -2.037 1.990 1.00 0.00 H new ATOM 0 HE2 MET A 111 3.749 -1.860 3.724 1.00 0.00 H new ATOM 0 HE3 MET A 111 2.519 -2.529 2.625 1.00 0.00 H new ATOM 1719 N THR A 112 2.707 3.671 3.224 1.00 0.00 N ATOM 1720 CA THR A 112 3.704 4.269 2.366 1.00 0.00 C ATOM 1721 C THR A 112 5.015 4.489 3.089 1.00 0.00 C ATOM 1722 O THR A 112 5.131 4.251 4.284 1.00 0.00 O ATOM 1723 CB THR A 112 3.196 5.591 1.814 1.00 0.00 C ATOM 1724 OG1 THR A 112 3.929 5.833 0.631 1.00 0.00 O ATOM 1725 CG2 THR A 112 3.310 6.781 2.759 1.00 0.00 C ATOM 0 H THR A 112 2.903 3.788 4.218 1.00 0.00 H new ATOM 0 HA THR A 112 3.887 3.574 1.547 1.00 0.00 H new ATOM 0 HB THR A 112 2.123 5.496 1.645 1.00 0.00 H new ATOM 0 HG1 THR A 112 3.754 6.745 0.319 1.00 0.00 H new ATOM 0 HG21 THR A 112 2.921 7.673 2.269 1.00 0.00 H new ATOM 0 HG22 THR A 112 2.735 6.584 3.664 1.00 0.00 H new ATOM 0 HG23 THR A 112 4.356 6.938 3.021 1.00 0.00 H new ATOM 1733 N HIS A 113 6.015 4.956 2.350 1.00 0.00 N ATOM 1734 CA HIS A 113 7.272 5.353 2.958 1.00 0.00 C ATOM 1735 C HIS A 113 7.276 6.829 3.373 1.00 0.00 C ATOM 1736 O HIS A 113 6.654 7.664 2.725 1.00 0.00 O ATOM 1737 CB HIS A 113 8.398 5.123 1.968 1.00 0.00 C ATOM 1738 CG HIS A 113 8.406 3.767 1.306 1.00 0.00 C ATOM 1739 ND1 HIS A 113 8.784 3.502 0.009 1.00 0.00 N ATOM 1740 CD2 HIS A 113 8.058 2.588 1.880 1.00 0.00 C ATOM 1741 CE1 HIS A 113 8.649 2.196 -0.213 1.00 0.00 C ATOM 1742 NE2 HIS A 113 8.213 1.624 0.915 1.00 0.00 N ATOM 0 H HIS A 113 5.977 5.067 1.337 1.00 0.00 H new ATOM 0 HA HIS A 113 7.408 4.750 3.856 1.00 0.00 H new ATOM 0 HB2 HIS A 113 8.340 5.887 1.193 1.00 0.00 H new ATOM 0 HB3 HIS A 113 9.348 5.263 2.484 1.00 0.00 H new ATOM 0 HD2 HIS A 113 7.725 2.437 2.896 1.00 0.00 H new ATOM 0 HE1 HIS A 113 8.856 1.687 -1.143 1.00 0.00 H new ATOM 0 HE2 HIS A 113 8.025 0.629 1.039 1.00 0.00 H new ATOM 1751 N SER A 114 8.148 7.175 4.310 1.00 0.00 N ATOM 1752 CA SER A 114 8.335 8.537 4.833 1.00 0.00 C ATOM 1753 C SER A 114 9.671 9.151 4.363 1.00 0.00 C ATOM 1754 O SER A 114 10.251 10.042 4.983 1.00 0.00 O ATOM 1755 CB SER A 114 8.296 8.470 6.355 1.00 0.00 C ATOM 1756 OG SER A 114 9.267 7.519 6.740 1.00 0.00 O ATOM 0 H SER A 114 8.771 6.496 4.748 1.00 0.00 H new ATOM 0 HA SER A 114 7.538 9.177 4.454 1.00 0.00 H new ATOM 0 HB2 SER A 114 8.513 9.445 6.792 1.00 0.00 H new ATOM 0 HB3 SER A 114 7.306 8.177 6.705 1.00 0.00 H new ATOM 0 HG SER A 114 9.786 7.868 7.494 1.00 0.00 H new ATOM 1762 N LYS A 115 10.220 8.627 3.261 1.00 0.00 N ATOM 1763 CA LYS A 115 11.454 9.117 2.638 1.00 0.00 C ATOM 1764 C LYS A 115 11.297 9.306 1.130 1.00 0.00 C ATOM 1765 O LYS A 115 12.015 8.687 0.335 1.00 0.00 O ATOM 1766 CB LYS A 115 12.610 8.170 2.980 1.00 0.00 C ATOM 1767 CG LYS A 115 13.972 8.850 2.858 1.00 0.00 C ATOM 1768 CD LYS A 115 14.220 9.861 3.984 1.00 0.00 C ATOM 1769 CE LYS A 115 15.718 10.004 4.243 1.00 0.00 C ATOM 1770 NZ LYS A 115 16.396 10.752 3.146 1.00 0.00 N ATOM 0 H LYS A 115 9.810 7.834 2.768 1.00 0.00 H new ATOM 0 HA LYS A 115 11.680 10.104 3.042 1.00 0.00 H new ATOM 0 HB2 LYS A 115 12.482 7.797 3.996 1.00 0.00 H new ATOM 0 HB3 LYS A 115 12.577 7.306 2.317 1.00 0.00 H new ATOM 0 HG2 LYS A 115 14.756 8.093 2.873 1.00 0.00 H new ATOM 0 HG3 LYS A 115 14.037 9.358 1.896 1.00 0.00 H new ATOM 0 HD2 LYS A 115 13.796 10.828 3.714 1.00 0.00 H new ATOM 0 HD3 LYS A 115 13.716 9.535 4.894 1.00 0.00 H new ATOM 0 HE2 LYS A 115 15.876 10.522 5.189 1.00 0.00 H new ATOM 0 HE3 LYS A 115 16.167 9.016 4.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 17.412 10.830 3.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 16.266 10.245 2.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 15.984 11.704 3.069 1.00 0.00 H new ATOM 1784 N VAL A 116 10.284 10.064 0.748 1.00 0.00 N ATOM 1785 CA VAL A 116 10.004 10.347 -0.653 1.00 0.00 C ATOM 1786 C VAL A 116 10.803 11.552 -1.102 1.00 0.00 C ATOM 1787 O VAL A 116 10.609 12.618 -0.560 1.00 0.00 O ATOM 1788 CB VAL A 116 8.506 10.595 -0.878 1.00 0.00 C ATOM 1789 CG1 VAL A 116 7.746 9.276 -0.680 1.00 0.00 C ATOM 1790 CG2 VAL A 116 7.860 11.667 0.016 1.00 0.00 C ATOM 0 H VAL A 116 9.631 10.502 1.398 1.00 0.00 H new ATOM 0 HA VAL A 116 10.295 9.478 -1.243 1.00 0.00 H new ATOM 0 HB VAL A 116 8.434 10.980 -1.895 1.00 0.00 H new ATOM 0 HG11 VAL A 116 6.680 9.443 -0.838 1.00 0.00 H new ATOM 0 HG12 VAL A 116 8.108 8.537 -1.395 1.00 0.00 H new ATOM 0 HG13 VAL A 116 7.910 8.910 0.334 1.00 0.00 H new ATOM 0 HG21 VAL A 116 6.802 11.757 -0.230 1.00 0.00 H new ATOM 0 HG22 VAL A 116 7.966 11.380 1.062 1.00 0.00 H new ATOM 0 HG23 VAL A 116 8.354 12.625 -0.149 1.00 0.00 H new ATOM 1800 N ASP A 117 11.690 11.391 -2.082 1.00 0.00 N ATOM 1801 CA ASP A 117 12.497 12.511 -2.588 1.00 0.00 C ATOM 1802 C ASP A 117 12.117 12.844 -4.035 1.00 0.00 C ATOM 1803 O ASP A 117 11.481 13.851 -4.326 1.00 0.00 O ATOM 1804 CB ASP A 117 13.996 12.196 -2.447 1.00 0.00 C ATOM 1805 CG ASP A 117 14.608 12.466 -1.063 1.00 0.00 C ATOM 1806 OD1 ASP A 117 14.122 11.882 -0.066 1.00 0.00 O ATOM 1807 OD2 ASP A 117 15.654 13.143 -1.038 1.00 0.00 O ATOM 0 H ASP A 117 11.871 10.500 -2.544 1.00 0.00 H new ATOM 0 HA ASP A 117 12.287 13.396 -1.988 1.00 0.00 H new ATOM 0 HB2 ASP A 117 14.152 11.146 -2.694 1.00 0.00 H new ATOM 0 HB3 ASP A 117 14.542 12.782 -3.186 1.00 0.00 H new ATOM 1812 N LYS A 118 12.498 11.957 -4.958 1.00 0.00 N ATOM 1813 CA LYS A 118 12.222 12.079 -6.391 1.00 0.00 C ATOM 1814 C LYS A 118 11.227 11.033 -6.859 1.00 0.00 C ATOM 1815 O LYS A 118 10.040 11.286 -7.015 1.00 0.00 O ATOM 1816 CB LYS A 118 13.531 12.001 -7.178 1.00 0.00 C ATOM 1817 CG LYS A 118 14.372 13.274 -7.076 1.00 0.00 C ATOM 1818 CD LYS A 118 15.450 13.282 -8.166 1.00 0.00 C ATOM 1819 CE LYS A 118 16.006 14.693 -8.362 1.00 0.00 C ATOM 1820 NZ LYS A 118 17.391 14.667 -8.894 1.00 0.00 N ATOM 0 H LYS A 118 13.020 11.113 -4.723 1.00 0.00 H new ATOM 0 HA LYS A 118 11.763 13.051 -6.575 1.00 0.00 H new ATOM 0 HB2 LYS A 118 14.116 11.156 -6.814 1.00 0.00 H new ATOM 0 HB3 LYS A 118 13.306 11.805 -8.226 1.00 0.00 H new ATOM 0 HG2 LYS A 118 13.733 14.151 -7.179 1.00 0.00 H new ATOM 0 HG3 LYS A 118 14.838 13.334 -6.092 1.00 0.00 H new ATOM 0 HD2 LYS A 118 16.257 12.602 -7.892 1.00 0.00 H new ATOM 0 HD3 LYS A 118 15.030 12.917 -9.103 1.00 0.00 H new ATOM 0 HE2 LYS A 118 15.363 15.246 -9.047 1.00 0.00 H new ATOM 0 HE3 LYS A 118 15.991 15.226 -7.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 17.735 15.641 -9.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 18.009 14.161 -8.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 17.401 14.181 -9.813 1.00 0.00 H new ATOM 1834 N ASN A 119 11.711 9.807 -7.018 1.00 0.00 N ATOM 1835 CA ASN A 119 10.891 8.676 -7.417 1.00 0.00 C ATOM 1836 C ASN A 119 10.173 8.037 -6.233 1.00 0.00 C ATOM 1837 O ASN A 119 9.637 6.939 -6.370 1.00 0.00 O ATOM 1838 CB ASN A 119 11.761 7.664 -8.158 1.00 0.00 C ATOM 1839 CG ASN A 119 12.088 8.084 -9.577 1.00 0.00 C ATOM 1840 OD1 ASN A 119 11.585 9.055 -10.114 1.00 0.00 O ATOM 1841 ND2 ASN A 119 12.920 7.316 -10.232 1.00 0.00 N ATOM 0 H ASN A 119 12.692 9.571 -6.872 1.00 0.00 H new ATOM 0 HA ASN A 119 10.108 9.034 -8.085 1.00 0.00 H new ATOM 0 HB2 ASN A 119 12.689 7.519 -7.606 1.00 0.00 H new ATOM 0 HB3 ASN A 119 11.250 6.702 -8.179 1.00 0.00 H new ATOM 0 HD21 ASN A 119 13.153 7.528 -11.202 1.00 0.00 H new ATOM 0 HD22 ASN A 119 13.335 6.506 -9.773 1.00 0.00 H new ATOM 1848 N ASN A 120 10.111 8.730 -5.093 1.00 0.00 N ATOM 1849 CA ASN A 120 9.420 8.256 -3.899 1.00 0.00 C ATOM 1850 C ASN A 120 10.049 6.950 -3.395 1.00 0.00 C ATOM 1851 O ASN A 120 9.343 5.991 -3.098 1.00 0.00 O ATOM 1852 CB ASN A 120 7.918 8.081 -4.189 1.00 0.00 C ATOM 1853 CG ASN A 120 7.275 9.239 -4.906 1.00 0.00 C ATOM 1854 OD1 ASN A 120 6.817 10.195 -4.316 1.00 0.00 O ATOM 1855 ND2 ASN A 120 7.207 9.150 -6.215 1.00 0.00 N ATOM 0 H ASN A 120 10.545 9.646 -4.976 1.00 0.00 H new ATOM 0 HA ASN A 120 9.527 9.000 -3.110 1.00 0.00 H new ATOM 0 HB2 ASN A 120 7.780 7.180 -4.787 1.00 0.00 H new ATOM 0 HB3 ASN A 120 7.396 7.921 -3.246 1.00 0.00 H new ATOM 0 HD21 ASN A 120 6.763 9.893 -6.754 1.00 0.00 H new ATOM 0 HD22 ASN A 120 7.598 8.338 -6.692 1.00 0.00 H new ATOM 1862 N GLN A 121 11.384 6.912 -3.319 1.00 0.00 N ATOM 1863 CA GLN A 121 12.153 5.734 -2.930 1.00 0.00 C ATOM 1864 C GLN A 121 11.588 5.129 -1.656 1.00 0.00 C ATOM 1865 O GLN A 121 10.903 4.109 -1.699 1.00 0.00 O ATOM 1866 CB GLN A 121 13.629 6.108 -2.711 1.00 0.00 C ATOM 1867 CG GLN A 121 14.334 6.598 -3.978 1.00 0.00 C ATOM 1868 CD GLN A 121 15.081 5.481 -4.686 1.00 0.00 C ATOM 1869 OE1 GLN A 121 16.181 5.654 -5.175 1.00 0.00 O ATOM 1870 NE2 GLN A 121 14.504 4.303 -4.774 1.00 0.00 N ATOM 0 H GLN A 121 11.969 7.720 -3.532 1.00 0.00 H new ATOM 0 HA GLN A 121 12.085 5.001 -3.734 1.00 0.00 H new ATOM 0 HB2 GLN A 121 13.688 6.885 -1.949 1.00 0.00 H new ATOM 0 HB3 GLN A 121 14.161 5.239 -2.323 1.00 0.00 H new ATOM 0 HG2 GLN A 121 13.599 7.029 -4.658 1.00 0.00 H new ATOM 0 HG3 GLN A 121 15.033 7.393 -3.719 1.00 0.00 H new ATOM 0 HE21 GLN A 121 13.581 4.155 -4.365 1.00 0.00 H new ATOM 0 HE22 GLN A 121 14.979 3.537 -5.251 1.00 0.00 H new ATOM 1879 N GLY A 122 11.827 5.808 -0.536 1.00 0.00 N ATOM 1880 CA GLY A 122 11.340 5.369 0.742 1.00 0.00 C ATOM 1881 C GLY A 122 12.185 4.261 1.335 1.00 0.00 C ATOM 1882 O GLY A 122 12.261 3.161 0.804 1.00 0.00 O ATOM 0 H GLY A 122 12.364 6.675 -0.503 1.00 0.00 H new ATOM 0 HA2 GLY A 122 11.320 6.214 1.430 1.00 0.00 H new ATOM 0 HA3 GLY A 122 10.313 5.021 0.636 1.00 0.00 H new ATOM 1886 N LYS A 123 12.816 4.576 2.454 1.00 0.00 N ATOM 1887 CA LYS A 123 13.685 3.654 3.177 1.00 0.00 C ATOM 1888 C LYS A 123 13.431 3.609 4.671 1.00 0.00 C ATOM 1889 O LYS A 123 13.625 2.565 5.262 1.00 0.00 O ATOM 1890 CB LYS A 123 15.152 3.994 2.926 1.00 0.00 C ATOM 1891 CG LYS A 123 15.487 5.475 3.195 1.00 0.00 C ATOM 1892 CD LYS A 123 16.929 5.659 3.671 1.00 0.00 C ATOM 1893 CE LYS A 123 17.095 5.183 5.122 1.00 0.00 C ATOM 1894 NZ LYS A 123 18.514 5.232 5.548 1.00 0.00 N ATOM 0 H LYS A 123 12.740 5.493 2.895 1.00 0.00 H new ATOM 0 HA LYS A 123 13.448 2.664 2.787 1.00 0.00 H new ATOM 0 HB2 LYS A 123 15.777 3.366 3.560 1.00 0.00 H new ATOM 0 HB3 LYS A 123 15.402 3.753 1.893 1.00 0.00 H new ATOM 0 HG2 LYS A 123 15.329 6.054 2.285 1.00 0.00 H new ATOM 0 HG3 LYS A 123 14.804 5.871 3.947 1.00 0.00 H new ATOM 0 HD2 LYS A 123 17.604 5.101 3.022 1.00 0.00 H new ATOM 0 HD3 LYS A 123 17.210 6.710 3.595 1.00 0.00 H new ATOM 0 HE2 LYS A 123 16.493 5.807 5.782 1.00 0.00 H new ATOM 0 HE3 LYS A 123 16.720 4.164 5.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 18.593 4.905 6.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 19.083 4.617 4.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 18.864 6.209 5.479 1.00 0.00 H new ATOM 1908 N GLU A 124 13.058 4.754 5.252 1.00 0.00 N ATOM 1909 CA GLU A 124 12.762 4.916 6.672 1.00 0.00 C ATOM 1910 C GLU A 124 11.976 3.730 7.209 1.00 0.00 C ATOM 1911 O GLU A 124 12.546 2.939 7.953 1.00 0.00 O ATOM 1912 CB GLU A 124 12.020 6.233 6.927 1.00 0.00 C ATOM 1913 CG GLU A 124 12.932 7.464 6.954 1.00 0.00 C ATOM 1914 CD GLU A 124 12.430 8.639 7.799 1.00 0.00 C ATOM 1915 OE1 GLU A 124 11.210 8.706 8.044 1.00 0.00 O ATOM 1916 OE2 GLU A 124 13.287 9.518 8.071 1.00 0.00 O ATOM 0 H GLU A 124 12.951 5.621 4.725 1.00 0.00 H new ATOM 0 HA GLU A 124 13.709 4.954 7.210 1.00 0.00 H new ATOM 0 HB2 GLU A 124 11.265 6.369 6.153 1.00 0.00 H new ATOM 0 HB3 GLU A 124 11.492 6.163 7.878 1.00 0.00 H new ATOM 0 HG2 GLU A 124 13.910 7.162 7.328 1.00 0.00 H new ATOM 0 HG3 GLU A 124 13.076 7.810 5.931 1.00 0.00 H new ATOM 1923 N PHE A 125 10.698 3.636 6.841 1.00 0.00 N ATOM 1924 CA PHE A 125 9.793 2.571 7.236 1.00 0.00 C ATOM 1925 C PHE A 125 8.488 2.652 6.437 1.00 0.00 C ATOM 1926 O PHE A 125 8.338 3.525 5.575 1.00 0.00 O ATOM 1927 CB PHE A 125 9.542 2.662 8.750 1.00 0.00 C ATOM 1928 CG PHE A 125 9.233 4.051 9.279 1.00 0.00 C ATOM 1929 CD1 PHE A 125 10.276 4.898 9.691 1.00 0.00 C ATOM 1930 CD2 PHE A 125 7.911 4.513 9.353 1.00 0.00 C ATOM 1931 CE1 PHE A 125 10.014 6.206 10.118 1.00 0.00 C ATOM 1932 CE2 PHE A 125 7.644 5.806 9.831 1.00 0.00 C ATOM 1933 CZ PHE A 125 8.693 6.655 10.194 1.00 0.00 C ATOM 0 H PHE A 125 10.254 4.328 6.237 1.00 0.00 H new ATOM 0 HA PHE A 125 10.242 1.602 7.017 1.00 0.00 H new ATOM 0 HB2 PHE A 125 8.712 2.003 9.003 1.00 0.00 H new ATOM 0 HB3 PHE A 125 10.421 2.281 9.270 1.00 0.00 H new ATOM 0 HD1 PHE A 125 11.293 4.535 9.678 1.00 0.00 H new ATOM 0 HD2 PHE A 125 7.098 3.874 9.042 1.00 0.00 H new ATOM 0 HE1 PHE A 125 10.828 6.863 10.387 1.00 0.00 H new ATOM 0 HE2 PHE A 125 6.623 6.146 9.919 1.00 0.00 H new ATOM 0 HZ PHE A 125 8.483 7.658 10.533 1.00 0.00 H new ATOM 1943 N PHE A 126 7.564 1.736 6.692 1.00 0.00 N ATOM 1944 CA PHE A 126 6.230 1.708 6.125 1.00 0.00 C ATOM 1945 C PHE A 126 5.219 2.301 7.109 1.00 0.00 C ATOM 1946 O PHE A 126 4.666 1.624 7.964 1.00 0.00 O ATOM 1947 CB PHE A 126 5.888 0.274 5.699 1.00 0.00 C ATOM 1948 CG PHE A 126 6.363 -0.081 4.323 1.00 0.00 C ATOM 1949 CD1 PHE A 126 5.736 0.512 3.226 1.00 0.00 C ATOM 1950 CD2 PHE A 126 7.395 -1.006 4.124 1.00 0.00 C ATOM 1951 CE1 PHE A 126 6.073 0.127 1.925 1.00 0.00 C ATOM 1952 CE2 PHE A 126 7.775 -1.364 2.824 1.00 0.00 C ATOM 1953 CZ PHE A 126 7.086 -0.830 1.729 1.00 0.00 C ATOM 0 H PHE A 126 7.735 0.958 7.329 1.00 0.00 H new ATOM 0 HA PHE A 126 6.187 2.331 5.232 1.00 0.00 H new ATOM 0 HB2 PHE A 126 6.327 -0.421 6.415 1.00 0.00 H new ATOM 0 HB3 PHE A 126 4.807 0.140 5.745 1.00 0.00 H new ATOM 0 HD1 PHE A 126 4.986 1.273 3.383 1.00 0.00 H new ATOM 0 HD2 PHE A 126 7.898 -1.444 4.973 1.00 0.00 H new ATOM 0 HE1 PHE A 126 5.561 0.560 1.078 1.00 0.00 H new ATOM 0 HE2 PHE A 126 8.595 -2.049 2.668 1.00 0.00 H new ATOM 0 HZ PHE A 126 7.333 -1.154 0.729 1.00 0.00 H new ATOM 1963 N GLU A 127 4.949 3.592 6.995 1.00 0.00 N ATOM 1964 CA GLU A 127 3.879 4.202 7.769 1.00 0.00 C ATOM 1965 C GLU A 127 2.515 3.989 7.107 1.00 0.00 C ATOM 1966 O GLU A 127 2.333 4.224 5.914 1.00 0.00 O ATOM 1967 CB GLU A 127 4.193 5.663 8.036 1.00 0.00 C ATOM 1968 CG GLU A 127 4.509 6.438 6.751 1.00 0.00 C ATOM 1969 CD GLU A 127 4.174 7.916 6.857 1.00 0.00 C ATOM 1970 OE1 GLU A 127 3.086 8.231 7.382 1.00 0.00 O ATOM 1971 OE2 GLU A 127 4.993 8.715 6.360 1.00 0.00 O ATOM 0 H GLU A 127 5.451 4.233 6.380 1.00 0.00 H new ATOM 0 HA GLU A 127 3.816 3.706 8.737 1.00 0.00 H new ATOM 0 HB2 GLU A 127 3.345 6.128 8.538 1.00 0.00 H new ATOM 0 HB3 GLU A 127 5.042 5.731 8.716 1.00 0.00 H new ATOM 0 HG2 GLU A 127 5.567 6.326 6.516 1.00 0.00 H new ATOM 0 HG3 GLU A 127 3.950 6.002 5.923 1.00 0.00 H new ATOM 1978 N LYS A 128 1.536 3.514 7.875 1.00 0.00 N ATOM 1979 CA LYS A 128 0.143 3.485 7.424 1.00 0.00 C ATOM 1980 C LYS A 128 -0.342 4.905 7.098 1.00 0.00 C ATOM 1981 O LYS A 128 -0.251 5.788 7.947 1.00 0.00 O ATOM 1982 CB LYS A 128 -0.741 2.773 8.451 1.00 0.00 C ATOM 1983 CG LYS A 128 -0.703 3.358 9.877 1.00 0.00 C ATOM 1984 CD LYS A 128 -1.917 4.258 10.149 1.00 0.00 C ATOM 1985 CE LYS A 128 -3.181 3.428 10.364 1.00 0.00 C ATOM 1986 NZ LYS A 128 -4.395 4.258 10.149 1.00 0.00 N ATOM 0 H LYS A 128 1.681 3.143 8.814 1.00 0.00 H new ATOM 0 HA LYS A 128 0.073 2.908 6.502 1.00 0.00 H new ATOM 0 HB2 LYS A 128 -1.771 2.795 8.095 1.00 0.00 H new ATOM 0 HB3 LYS A 128 -0.442 1.726 8.498 1.00 0.00 H new ATOM 0 HG2 LYS A 128 -0.681 2.546 10.604 1.00 0.00 H new ATOM 0 HG3 LYS A 128 0.214 3.932 10.012 1.00 0.00 H new ATOM 0 HD2 LYS A 128 -1.728 4.872 11.029 1.00 0.00 H new ATOM 0 HD3 LYS A 128 -2.064 4.939 9.311 1.00 0.00 H new ATOM 0 HE2 LYS A 128 -3.187 2.581 9.678 1.00 0.00 H new ATOM 0 HE3 LYS A 128 -3.187 3.020 11.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 -5.244 3.677 10.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 -4.396 5.052 10.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 -4.396 4.627 9.176 1.00 0.00 H new ATOM 2000 N CYS A 129 -0.854 5.107 5.889 1.00 0.00 N ATOM 2001 CA CYS A 129 -1.556 6.315 5.472 1.00 0.00 C ATOM 2002 C CYS A 129 -2.772 6.607 6.372 1.00 0.00 C ATOM 2003 O CYS A 129 -3.155 5.785 7.215 1.00 0.00 O ATOM 2004 CB CYS A 129 -1.990 6.168 4.007 1.00 0.00 C ATOM 2005 SG CYS A 129 -0.612 5.939 2.856 1.00 0.00 S ATOM 0 H CYS A 129 -0.789 4.410 5.147 1.00 0.00 H new ATOM 0 HA CYS A 129 -0.876 7.161 5.569 1.00 0.00 H new ATOM 0 HB2 CYS A 129 -2.667 5.318 3.922 1.00 0.00 H new ATOM 0 HB3 CYS A 129 -2.553 7.054 3.714 1.00 0.00 H new ATOM 2010 N ASP A 130 -3.403 7.755 6.154 1.00 0.00 N ATOM 2011 CA ASP A 130 -4.575 8.248 6.876 1.00 0.00 C ATOM 2012 C ASP A 130 -5.326 9.275 6.016 1.00 0.00 C ATOM 2013 O ASP A 130 -4.747 9.680 4.979 1.00 0.00 O ATOM 2014 CB ASP A 130 -4.101 8.818 8.229 1.00 0.00 C ATOM 2015 CG ASP A 130 -5.128 8.798 9.379 1.00 0.00 C ATOM 2016 OD1 ASP A 130 -6.346 8.709 9.126 1.00 0.00 O ATOM 2017 OD2 ASP A 130 -4.669 8.741 10.553 1.00 0.00 O ATOM 2018 OXT ASP A 130 -6.498 9.571 6.320 1.00 0.00 O ATOM 0 H ASP A 130 -3.096 8.404 5.430 1.00 0.00 H new ATOM 0 HA ASP A 130 -5.284 7.446 7.078 1.00 0.00 H new ATOM 0 HB2 ASP A 130 -3.222 8.258 8.547 1.00 0.00 H new ATOM 0 HB3 ASP A 130 -3.783 9.849 8.073 1.00 0.00 H new TER 2023 ASP A 130