USER MOD reduce.3.24.130724 H: found=0, std=0, add=646, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 644 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 23 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 24 ASN : amide:sc= -0.804 X(o=-0.8,f=-0.99) USER MOD Single : A 1 MET CE :methyl 160:sc= -0.0118 (180deg=-0.39) USER MOD Single : A 1 MET N :NH3+ 171:sc= 0 (180deg=-0.0973) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= -0.058 K(o=-0.058,f=-0.94) USER MOD Single : A 19 GLN : amide:sc= -0.23 K(o=-0.23,f=-2.2!) USER MOD Single : A 20 TYR OH : rot 120:sc= -0.726 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 26 CYS SG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 149:sc= 1.18 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= -0.256 K(o=-0.26,f=-1.7!) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot -90:sc= 0.253 USER MOD Single : A 47 TYR OH : rot 180:sc= -0.0312 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 58 GLN : amide:sc= -1.16 X(o=-1.2,f=-0.77) USER MOD Single : A 61 LYS NZ :NH3+ -145:sc= -0.863 (180deg=-3.49!) USER MOD Single : A 64 SER OG : rot -81:sc= 1.15 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ -158:sc= 0 (180deg=-0.0914) USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.629 -20.414 -11.869 1.00 0.00 N ATOM 2 CA MET A 1 -0.383 -21.011 -11.320 1.00 0.00 C ATOM 3 C MET A 1 0.767 -20.011 -11.355 1.00 0.00 C ATOM 4 O MET A 1 1.878 -20.340 -11.774 1.00 0.00 O ATOM 5 CB MET A 1 -0.033 -22.251 -12.147 1.00 0.00 C ATOM 6 CG MET A 1 0.152 -21.962 -13.628 1.00 0.00 C ATOM 7 SD MET A 1 1.549 -22.853 -14.342 1.00 0.00 S ATOM 8 CE MET A 1 1.158 -24.534 -13.861 1.00 0.00 C ATOM 0 H1 MET A 1 -2.351 -21.155 -11.975 1.00 0.00 H new ATOM 0 H2 MET A 1 -1.978 -19.681 -11.219 1.00 0.00 H new ATOM 0 H3 MET A 1 -1.430 -19.988 -12.797 1.00 0.00 H new ATOM 0 HA MET A 1 -0.545 -21.288 -10.278 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.883 -22.693 -11.754 1.00 0.00 H new ATOM 0 HB3 MET A 1 -0.822 -22.993 -12.026 1.00 0.00 H new ATOM 0 HG2 MET A 1 -0.758 -22.233 -14.163 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.299 -20.891 -13.770 1.00 0.00 H new ATOM 0 HE1 MET A 1 1.700 -25.231 -14.500 1.00 0.00 H new ATOM 0 HE2 MET A 1 1.450 -24.693 -12.823 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.086 -24.703 -13.967 1.00 0.00 H new ATOM 18 N LYS A 2 0.496 -18.788 -10.911 1.00 0.00 N ATOM 19 CA LYS A 2 1.509 -17.740 -10.893 1.00 0.00 C ATOM 20 C LYS A 2 2.118 -17.596 -9.499 1.00 0.00 C ATOM 21 O LYS A 2 1.408 -17.652 -8.496 1.00 0.00 O ATOM 22 CB LYS A 2 0.901 -16.408 -11.334 1.00 0.00 C ATOM 23 CG LYS A 2 1.894 -15.479 -12.011 1.00 0.00 C ATOM 24 CD LYS A 2 1.195 -14.504 -12.945 1.00 0.00 C ATOM 25 CE LYS A 2 2.187 -13.797 -13.855 1.00 0.00 C ATOM 26 NZ LYS A 2 1.820 -12.371 -14.076 1.00 0.00 N ATOM 0 H LYS A 2 -0.417 -18.499 -10.559 1.00 0.00 H new ATOM 0 HA LYS A 2 2.299 -18.021 -11.589 1.00 0.00 H new ATOM 0 HB2 LYS A 2 0.075 -16.604 -12.018 1.00 0.00 H new ATOM 0 HB3 LYS A 2 0.481 -15.904 -10.463 1.00 0.00 H new ATOM 0 HG2 LYS A 2 2.450 -14.925 -11.255 1.00 0.00 H new ATOM 0 HG3 LYS A 2 2.619 -16.067 -12.573 1.00 0.00 H new ATOM 0 HD2 LYS A 2 0.462 -15.039 -13.549 1.00 0.00 H new ATOM 0 HD3 LYS A 2 0.647 -13.766 -12.359 1.00 0.00 H new ATOM 0 HE2 LYS A 2 3.184 -13.852 -13.417 1.00 0.00 H new ATOM 0 HE3 LYS A 2 2.231 -14.313 -14.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 2.521 -11.925 -14.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 0.880 -12.319 -14.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 1.803 -11.872 -13.164 1.00 0.00 H new ATOM 40 N PRO A 3 3.448 -17.408 -9.417 1.00 0.00 N ATOM 41 CA PRO A 3 4.146 -17.256 -8.142 1.00 0.00 C ATOM 42 C PRO A 3 4.097 -15.824 -7.618 1.00 0.00 C ATOM 43 O PRO A 3 5.129 -15.229 -7.309 1.00 0.00 O ATOM 44 CB PRO A 3 5.576 -17.646 -8.501 1.00 0.00 C ATOM 45 CG PRO A 3 5.737 -17.206 -9.916 1.00 0.00 C ATOM 46 CD PRO A 3 4.377 -17.330 -10.561 1.00 0.00 C ATOM 0 HA PRO A 3 3.702 -17.857 -7.349 1.00 0.00 H new ATOM 0 HB2 PRO A 3 6.297 -17.155 -7.848 1.00 0.00 H new ATOM 0 HB3 PRO A 3 5.732 -18.720 -8.399 1.00 0.00 H new ATOM 0 HG2 PRO A 3 6.097 -16.178 -9.964 1.00 0.00 H new ATOM 0 HG3 PRO A 3 6.470 -17.825 -10.434 1.00 0.00 H new ATOM 0 HD2 PRO A 3 4.157 -16.473 -11.197 1.00 0.00 H new ATOM 0 HD3 PRO A 3 4.312 -18.218 -11.190 1.00 0.00 H new ATOM 54 N ARG A 4 2.890 -15.275 -7.524 1.00 0.00 N ATOM 55 CA ARG A 4 2.707 -13.912 -7.039 1.00 0.00 C ATOM 56 C ARG A 4 1.669 -13.864 -5.920 1.00 0.00 C ATOM 57 O ARG A 4 0.485 -13.635 -6.170 1.00 0.00 O ATOM 58 CB ARG A 4 2.282 -12.994 -8.188 1.00 0.00 C ATOM 59 CG ARG A 4 3.406 -12.680 -9.162 1.00 0.00 C ATOM 60 CD ARG A 4 2.881 -12.027 -10.430 1.00 0.00 C ATOM 61 NE ARG A 4 3.911 -11.243 -11.108 1.00 0.00 N ATOM 62 CZ ARG A 4 4.906 -11.779 -11.814 1.00 0.00 C ATOM 63 NH1 ARG A 4 5.001 -13.096 -11.946 1.00 0.00 N ATOM 64 NH2 ARG A 4 5.806 -10.994 -12.390 1.00 0.00 N ATOM 0 H ARG A 4 2.025 -15.753 -7.777 1.00 0.00 H new ATOM 0 HA ARG A 4 3.659 -13.565 -6.638 1.00 0.00 H new ATOM 0 HB2 ARG A 4 1.461 -13.462 -8.732 1.00 0.00 H new ATOM 0 HB3 ARG A 4 1.899 -12.061 -7.774 1.00 0.00 H new ATOM 0 HG2 ARG A 4 4.129 -12.019 -8.684 1.00 0.00 H new ATOM 0 HG3 ARG A 4 3.935 -13.599 -9.417 1.00 0.00 H new ATOM 0 HD2 ARG A 4 2.507 -12.796 -11.106 1.00 0.00 H new ATOM 0 HD3 ARG A 4 2.038 -11.382 -10.183 1.00 0.00 H new ATOM 0 HE ARG A 4 3.866 -10.226 -11.037 1.00 0.00 H new ATOM 0 HH11 ARG A 4 4.310 -13.704 -11.506 1.00 0.00 H new ATOM 0 HH12 ARG A 4 5.765 -13.500 -12.488 1.00 0.00 H new ATOM 0 HH21 ARG A 4 5.736 -9.981 -12.292 1.00 0.00 H new ATOM 0 HH22 ARG A 4 6.568 -11.403 -12.931 1.00 0.00 H new ATOM 78 N PRO A 5 2.102 -14.081 -4.665 1.00 0.00 N ATOM 79 CA PRO A 5 1.204 -14.061 -3.505 1.00 0.00 C ATOM 80 C PRO A 5 0.703 -12.655 -3.187 1.00 0.00 C ATOM 81 O PRO A 5 1.330 -11.664 -3.556 1.00 0.00 O ATOM 82 CB PRO A 5 2.082 -14.584 -2.367 1.00 0.00 C ATOM 83 CG PRO A 5 3.474 -14.252 -2.781 1.00 0.00 C ATOM 84 CD PRO A 5 3.498 -14.361 -4.280 1.00 0.00 C ATOM 0 HA PRO A 5 0.305 -14.654 -3.674 1.00 0.00 H new ATOM 0 HB2 PRO A 5 1.827 -14.109 -1.420 1.00 0.00 H new ATOM 0 HB3 PRO A 5 1.955 -15.658 -2.230 1.00 0.00 H new ATOM 0 HG2 PRO A 5 3.748 -13.247 -2.458 1.00 0.00 H new ATOM 0 HG3 PRO A 5 4.190 -14.938 -2.328 1.00 0.00 H new ATOM 0 HD2 PRO A 5 4.189 -13.644 -4.724 1.00 0.00 H new ATOM 0 HD3 PRO A 5 3.814 -15.352 -4.606 1.00 0.00 H new ATOM 92 N GLY A 6 -0.432 -12.579 -2.499 1.00 0.00 N ATOM 93 CA GLY A 6 -0.998 -11.291 -2.141 1.00 0.00 C ATOM 94 C GLY A 6 -2.435 -11.140 -2.601 1.00 0.00 C ATOM 95 O GLY A 6 -2.706 -11.086 -3.801 1.00 0.00 O ATOM 0 H GLY A 6 -0.970 -13.386 -2.183 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -0.951 -11.165 -1.059 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -0.394 -10.497 -2.581 1.00 0.00 H new ATOM 99 N VAL A 7 -3.357 -11.069 -1.647 1.00 0.00 N ATOM 100 CA VAL A 7 -4.773 -10.923 -1.959 1.00 0.00 C ATOM 101 C VAL A 7 -5.612 -10.841 -0.688 1.00 0.00 C ATOM 102 O VAL A 7 -6.567 -10.068 -0.611 1.00 0.00 O ATOM 103 CB VAL A 7 -5.280 -12.094 -2.826 1.00 0.00 C ATOM 104 CG1 VAL A 7 -5.129 -13.414 -2.085 1.00 0.00 C ATOM 105 CG2 VAL A 7 -6.727 -11.868 -3.239 1.00 0.00 C ATOM 0 H VAL A 7 -3.148 -11.110 -0.650 1.00 0.00 H new ATOM 0 HA VAL A 7 -4.880 -9.994 -2.519 1.00 0.00 H new ATOM 0 HB VAL A 7 -4.672 -12.140 -3.730 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -5.492 -14.227 -2.713 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -4.078 -13.580 -1.848 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -5.708 -13.382 -1.162 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -7.066 -12.705 -3.850 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -7.352 -11.792 -2.349 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -6.801 -10.945 -3.814 1.00 0.00 H new ATOM 115 N PHE A 8 -5.251 -11.647 0.305 1.00 0.00 N ATOM 116 CA PHE A 8 -5.972 -11.669 1.573 1.00 0.00 C ATOM 117 C PHE A 8 -5.682 -10.412 2.390 1.00 0.00 C ATOM 118 O PHE A 8 -6.510 -9.504 2.462 1.00 0.00 O ATOM 119 CB PHE A 8 -5.591 -12.916 2.375 1.00 0.00 C ATOM 120 CG PHE A 8 -6.607 -14.019 2.285 1.00 0.00 C ATOM 121 CD1 PHE A 8 -6.699 -14.801 1.146 1.00 0.00 C ATOM 122 CD2 PHE A 8 -7.469 -14.273 3.340 1.00 0.00 C ATOM 123 CE1 PHE A 8 -7.631 -15.818 1.060 1.00 0.00 C ATOM 124 CE2 PHE A 8 -8.403 -15.287 3.260 1.00 0.00 C ATOM 125 CZ PHE A 8 -8.485 -16.061 2.119 1.00 0.00 C ATOM 0 H PHE A 8 -4.464 -12.294 0.256 1.00 0.00 H new ATOM 0 HA PHE A 8 -7.040 -11.696 1.356 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -4.630 -13.288 2.019 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -5.458 -12.639 3.421 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -6.035 -14.614 0.315 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -7.410 -13.671 4.235 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -7.692 -16.422 0.167 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -9.069 -15.475 4.089 1.00 0.00 H new ATOM 0 HZ PHE A 8 -9.215 -16.854 2.055 1.00 0.00 H new ATOM 135 N VAL A 9 -4.505 -10.370 3.005 1.00 0.00 N ATOM 136 CA VAL A 9 -4.110 -9.226 3.819 1.00 0.00 C ATOM 137 C VAL A 9 -3.209 -8.274 3.037 1.00 0.00 C ATOM 138 O VAL A 9 -2.402 -7.550 3.618 1.00 0.00 O ATOM 139 CB VAL A 9 -3.375 -9.675 5.095 1.00 0.00 C ATOM 140 CG1 VAL A 9 -4.351 -10.288 6.087 1.00 0.00 C ATOM 141 CG2 VAL A 9 -2.264 -10.657 4.752 1.00 0.00 C ATOM 0 H VAL A 9 -3.809 -11.114 2.956 1.00 0.00 H new ATOM 0 HA VAL A 9 -5.027 -8.706 4.097 1.00 0.00 H new ATOM 0 HB VAL A 9 -2.924 -8.799 5.560 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.813 -10.599 6.982 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -5.107 -9.551 6.356 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -4.834 -11.154 5.635 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -1.755 -10.964 5.666 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -2.691 -11.533 4.263 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -1.550 -10.179 4.082 1.00 0.00 H new ATOM 151 N ASP A 10 -3.352 -8.281 1.715 1.00 0.00 N ATOM 152 CA ASP A 10 -2.549 -7.419 0.855 1.00 0.00 C ATOM 153 C ASP A 10 -3.413 -6.350 0.189 1.00 0.00 C ATOM 154 O ASP A 10 -2.926 -5.275 -0.159 1.00 0.00 O ATOM 155 CB ASP A 10 -1.836 -8.250 -0.213 1.00 0.00 C ATOM 156 CG ASP A 10 -0.748 -9.130 0.369 1.00 0.00 C ATOM 157 OD1 ASP A 10 -1.075 -10.021 1.180 1.00 0.00 O ATOM 158 OD2 ASP A 10 0.433 -8.929 0.014 1.00 0.00 O ATOM 0 H ASP A 10 -4.016 -8.874 1.217 1.00 0.00 H new ATOM 0 HA ASP A 10 -1.805 -6.922 1.478 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -2.565 -8.873 -0.731 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -1.401 -7.583 -0.957 1.00 0.00 H new ATOM 163 N ARG A 11 -4.694 -6.655 0.011 1.00 0.00 N ATOM 164 CA ARG A 11 -5.624 -5.723 -0.617 1.00 0.00 C ATOM 165 C ARG A 11 -5.662 -4.392 0.128 1.00 0.00 C ATOM 166 O ARG A 11 -5.889 -3.341 -0.472 1.00 0.00 O ATOM 167 CB ARG A 11 -7.027 -6.331 -0.669 1.00 0.00 C ATOM 168 CG ARG A 11 -7.835 -5.893 -1.880 1.00 0.00 C ATOM 169 CD ARG A 11 -9.061 -6.771 -2.082 1.00 0.00 C ATOM 170 NE ARG A 11 -10.297 -5.993 -2.081 1.00 0.00 N ATOM 171 CZ ARG A 11 -11.504 -6.519 -1.887 1.00 0.00 C ATOM 172 NH1 ARG A 11 -11.642 -7.823 -1.676 1.00 0.00 N ATOM 173 NH2 ARG A 11 -12.577 -5.740 -1.903 1.00 0.00 N ATOM 0 H ARG A 11 -5.112 -7.541 0.293 1.00 0.00 H new ATOM 0 HA ARG A 11 -5.275 -5.535 -1.632 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -6.943 -7.418 -0.672 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -7.567 -6.056 0.237 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -8.146 -4.856 -1.755 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -7.208 -5.932 -2.770 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -8.971 -7.308 -3.027 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -9.104 -7.521 -1.292 1.00 0.00 H new ATOM 0 HE ARG A 11 -10.231 -4.987 -2.238 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -10.820 -8.427 -1.662 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -12.570 -8.220 -1.528 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -12.477 -4.738 -2.064 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -13.502 -6.143 -1.754 1.00 0.00 H new ATOM 187 N LYS A 12 -5.439 -4.441 1.439 1.00 0.00 N ATOM 188 CA LYS A 12 -5.452 -3.235 2.258 1.00 0.00 C ATOM 189 C LYS A 12 -4.438 -2.216 1.748 1.00 0.00 C ATOM 190 O LYS A 12 -4.721 -1.022 1.693 1.00 0.00 O ATOM 191 CB LYS A 12 -5.150 -3.572 3.718 1.00 0.00 C ATOM 192 CG LYS A 12 -6.377 -3.992 4.512 1.00 0.00 C ATOM 193 CD LYS A 12 -6.804 -5.411 4.171 1.00 0.00 C ATOM 194 CE LYS A 12 -7.207 -6.187 5.414 1.00 0.00 C ATOM 195 NZ LYS A 12 -7.856 -7.483 5.075 1.00 0.00 N ATOM 0 H LYS A 12 -5.248 -5.300 1.954 1.00 0.00 H new ATOM 0 HA LYS A 12 -6.449 -2.800 2.190 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -4.413 -4.375 3.752 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -4.698 -2.703 4.197 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -6.163 -3.922 5.578 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -7.198 -3.305 4.306 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -7.640 -5.382 3.472 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -5.986 -5.927 3.668 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -6.325 -6.372 6.028 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -7.891 -5.584 6.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -8.115 -7.981 5.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -8.712 -7.306 4.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -7.195 -8.069 4.526 1.00 0.00 H new ATOM 209 N LEU A 13 -3.256 -2.695 1.377 1.00 0.00 N ATOM 210 CA LEU A 13 -2.206 -1.818 0.873 1.00 0.00 C ATOM 211 C LEU A 13 -2.697 -1.020 -0.330 1.00 0.00 C ATOM 212 O LEU A 13 -2.386 0.162 -0.474 1.00 0.00 O ATOM 213 CB LEU A 13 -0.969 -2.634 0.492 1.00 0.00 C ATOM 214 CG LEU A 13 0.369 -1.932 0.727 1.00 0.00 C ATOM 215 CD1 LEU A 13 0.391 -0.579 0.035 1.00 0.00 C ATOM 216 CD2 LEU A 13 0.634 -1.775 2.217 1.00 0.00 C ATOM 0 H LEU A 13 -3.001 -3.682 1.415 1.00 0.00 H new ATOM 0 HA LEU A 13 -1.939 -1.118 1.665 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.978 -3.565 1.059 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -1.041 -2.903 -0.562 1.00 0.00 H new ATOM 0 HG LEU A 13 1.160 -2.548 0.300 1.00 0.00 H new ATOM 0 HD11 LEU A 13 1.351 -0.095 0.214 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.248 -0.716 -1.037 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -0.410 0.045 0.431 1.00 0.00 H new ATOM 0 HD21 LEU A 13 1.590 -1.274 2.366 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -0.161 -1.181 2.667 1.00 0.00 H new ATOM 0 HD23 LEU A 13 0.663 -2.758 2.687 1.00 0.00 H new ATOM 228 N LYS A 14 -3.473 -1.674 -1.188 1.00 0.00 N ATOM 229 CA LYS A 14 -4.014 -1.024 -2.375 1.00 0.00 C ATOM 230 C LYS A 14 -5.157 -0.085 -2.003 1.00 0.00 C ATOM 231 O LYS A 14 -5.163 1.084 -2.387 1.00 0.00 O ATOM 232 CB LYS A 14 -4.507 -2.069 -3.378 1.00 0.00 C ATOM 233 CG LYS A 14 -4.649 -1.535 -4.795 1.00 0.00 C ATOM 234 CD LYS A 14 -5.586 -2.399 -5.625 1.00 0.00 C ATOM 235 CE LYS A 14 -7.041 -2.145 -5.267 1.00 0.00 C ATOM 236 NZ LYS A 14 -7.895 -3.337 -5.532 1.00 0.00 N ATOM 0 H LYS A 14 -3.741 -2.653 -1.083 1.00 0.00 H new ATOM 0 HA LYS A 14 -3.216 -0.439 -2.834 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -3.814 -2.910 -3.384 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -5.471 -2.453 -3.045 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -5.027 -0.513 -4.764 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -3.669 -1.498 -5.271 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -5.430 -2.194 -6.684 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -5.349 -3.451 -5.466 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -7.114 -1.873 -4.214 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -7.413 -1.297 -5.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -8.880 -3.123 -5.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -7.846 -3.581 -6.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -7.556 -4.140 -4.965 1.00 0.00 H new ATOM 250 N GLN A 15 -6.124 -0.607 -1.253 1.00 0.00 N ATOM 251 CA GLN A 15 -7.277 0.179 -0.827 1.00 0.00 C ATOM 252 C GLN A 15 -6.850 1.369 0.027 1.00 0.00 C ATOM 253 O GLN A 15 -7.343 2.483 -0.152 1.00 0.00 O ATOM 254 CB GLN A 15 -8.255 -0.699 -0.043 1.00 0.00 C ATOM 255 CG GLN A 15 -9.540 0.015 0.342 1.00 0.00 C ATOM 256 CD GLN A 15 -10.668 -0.249 -0.638 1.00 0.00 C ATOM 257 OE1 GLN A 15 -10.434 -0.643 -1.780 1.00 0.00 O ATOM 258 NE2 GLN A 15 -11.900 -0.034 -0.193 1.00 0.00 N ATOM 0 H GLN A 15 -6.131 -1.574 -0.927 1.00 0.00 H new ATOM 0 HA GLN A 15 -7.771 0.560 -1.721 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -8.502 -1.576 -0.641 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -7.764 -1.058 0.861 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -9.846 -0.306 1.338 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -9.354 1.088 0.396 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -12.048 0.293 0.762 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -12.699 -0.196 -0.806 1.00 0.00 H new ATOM 267 N ARG A 16 -5.934 1.126 0.957 1.00 0.00 N ATOM 268 CA ARG A 16 -5.446 2.180 1.839 1.00 0.00 C ATOM 269 C ARG A 16 -4.694 3.246 1.047 1.00 0.00 C ATOM 270 O ARG A 16 -4.869 4.442 1.277 1.00 0.00 O ATOM 271 CB ARG A 16 -4.536 1.594 2.922 1.00 0.00 C ATOM 272 CG ARG A 16 -4.564 2.375 4.227 1.00 0.00 C ATOM 273 CD ARG A 16 -4.712 1.455 5.428 1.00 0.00 C ATOM 274 NE ARG A 16 -5.794 0.489 5.251 1.00 0.00 N ATOM 275 CZ ARG A 16 -7.084 0.789 5.380 1.00 0.00 C ATOM 276 NH1 ARG A 16 -7.457 2.025 5.688 1.00 0.00 N ATOM 277 NH2 ARG A 16 -8.005 -0.148 5.201 1.00 0.00 N ATOM 0 H ARG A 16 -5.515 0.211 1.120 1.00 0.00 H new ATOM 0 HA ARG A 16 -6.308 2.646 2.316 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -4.834 0.564 3.118 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -3.513 1.564 2.548 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -3.647 2.955 4.324 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -5.390 3.086 4.209 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -3.775 0.923 5.594 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -4.902 2.052 6.320 1.00 0.00 H new ATOM 0 HE ARG A 16 -5.546 -0.472 5.015 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -6.753 2.750 5.827 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -8.447 2.250 5.786 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -7.725 -1.100 4.964 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -8.994 0.083 5.300 1.00 0.00 H new ATOM 291 N VAL A 17 -3.856 2.805 0.114 1.00 0.00 N ATOM 292 CA VAL A 17 -3.081 3.727 -0.707 1.00 0.00 C ATOM 293 C VAL A 17 -3.992 4.546 -1.619 1.00 0.00 C ATOM 294 O VAL A 17 -3.915 5.773 -1.639 1.00 0.00 O ATOM 295 CB VAL A 17 -2.027 2.972 -1.554 1.00 0.00 C ATOM 296 CG1 VAL A 17 -1.571 3.804 -2.747 1.00 0.00 C ATOM 297 CG2 VAL A 17 -0.834 2.585 -0.691 1.00 0.00 C ATOM 0 H VAL A 17 -3.697 1.819 -0.091 1.00 0.00 H new ATOM 0 HA VAL A 17 -2.560 4.406 -0.032 1.00 0.00 H new ATOM 0 HB VAL A 17 -2.495 2.066 -1.939 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -0.832 3.244 -3.320 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -2.428 4.029 -3.382 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -1.127 4.735 -2.393 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -0.101 2.055 -1.300 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -0.379 3.484 -0.276 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -1.167 1.938 0.121 1.00 0.00 H new ATOM 307 N ILE A 18 -4.852 3.867 -2.374 1.00 0.00 N ATOM 308 CA ILE A 18 -5.765 4.554 -3.285 1.00 0.00 C ATOM 309 C ILE A 18 -6.578 5.617 -2.552 1.00 0.00 C ATOM 310 O ILE A 18 -6.846 6.689 -3.092 1.00 0.00 O ATOM 311 CB ILE A 18 -6.727 3.569 -3.981 1.00 0.00 C ATOM 312 CG1 ILE A 18 -7.607 2.856 -2.953 1.00 0.00 C ATOM 313 CG2 ILE A 18 -5.945 2.559 -4.810 1.00 0.00 C ATOM 314 CD1 ILE A 18 -8.646 1.948 -3.575 1.00 0.00 C ATOM 0 H ILE A 18 -4.936 2.850 -2.374 1.00 0.00 H new ATOM 0 HA ILE A 18 -5.147 5.033 -4.044 1.00 0.00 H new ATOM 0 HB ILE A 18 -7.375 4.136 -4.649 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -6.973 2.268 -2.289 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -8.109 3.602 -2.337 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -6.638 1.871 -5.294 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -5.364 3.083 -5.569 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -5.272 1.999 -4.161 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -9.234 1.475 -2.788 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -9.304 2.534 -4.217 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -8.150 1.180 -4.168 1.00 0.00 H new ATOM 326 N GLN A 19 -6.961 5.314 -1.315 1.00 0.00 N ATOM 327 CA GLN A 19 -7.736 6.247 -0.507 1.00 0.00 C ATOM 328 C GLN A 19 -6.870 7.415 -0.046 1.00 0.00 C ATOM 329 O GLN A 19 -7.353 8.536 0.108 1.00 0.00 O ATOM 330 CB GLN A 19 -8.332 5.529 0.705 1.00 0.00 C ATOM 331 CG GLN A 19 -9.592 4.740 0.387 1.00 0.00 C ATOM 332 CD GLN A 19 -10.511 4.602 1.585 1.00 0.00 C ATOM 333 OE1 GLN A 19 -10.400 5.348 2.556 1.00 0.00 O ATOM 334 NE2 GLN A 19 -11.427 3.641 1.520 1.00 0.00 N ATOM 0 H GLN A 19 -6.747 4.431 -0.852 1.00 0.00 H new ATOM 0 HA GLN A 19 -8.545 6.639 -1.123 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -7.585 4.852 1.119 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -8.559 6.264 1.477 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -10.129 5.232 -0.424 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -9.315 3.748 0.030 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -11.483 3.045 0.694 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -12.074 3.500 2.296 1.00 0.00 H new ATOM 343 N TYR A 20 -5.586 7.143 0.175 1.00 0.00 N ATOM 344 CA TYR A 20 -4.653 8.170 0.623 1.00 0.00 C ATOM 345 C TYR A 20 -4.323 9.146 -0.505 1.00 0.00 C ATOM 346 O TYR A 20 -4.190 10.348 -0.277 1.00 0.00 O ATOM 347 CB TYR A 20 -3.367 7.525 1.151 1.00 0.00 C ATOM 348 CG TYR A 20 -3.180 7.677 2.644 1.00 0.00 C ATOM 349 CD1 TYR A 20 -3.464 8.879 3.280 1.00 0.00 C ATOM 350 CD2 TYR A 20 -2.719 6.619 3.416 1.00 0.00 C ATOM 351 CE1 TYR A 20 -3.293 9.022 4.645 1.00 0.00 C ATOM 352 CE2 TYR A 20 -2.547 6.753 4.782 1.00 0.00 C ATOM 353 CZ TYR A 20 -2.834 7.956 5.390 1.00 0.00 C ATOM 354 OH TYR A 20 -2.664 8.095 6.748 1.00 0.00 O ATOM 0 H TYR A 20 -5.170 6.220 0.051 1.00 0.00 H new ATOM 0 HA TYR A 20 -5.130 8.729 1.428 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -3.374 6.464 0.901 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -2.512 7.968 0.640 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -3.824 9.715 2.699 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -2.491 5.676 2.942 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -3.518 9.963 5.125 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -2.190 5.920 5.369 1.00 0.00 H new ATOM 0 HH TYR A 20 -3.233 7.450 7.217 1.00 0.00 H new ATOM 364 N LEU A 21 -4.192 8.622 -1.720 1.00 0.00 N ATOM 365 CA LEU A 21 -3.877 9.455 -2.876 1.00 0.00 C ATOM 366 C LEU A 21 -5.085 10.290 -3.288 1.00 0.00 C ATOM 367 O LEU A 21 -4.956 11.473 -3.607 1.00 0.00 O ATOM 368 CB LEU A 21 -3.416 8.592 -4.057 1.00 0.00 C ATOM 369 CG LEU A 21 -2.535 7.392 -3.692 1.00 0.00 C ATOM 370 CD1 LEU A 21 -2.973 6.152 -4.460 1.00 0.00 C ATOM 371 CD2 LEU A 21 -1.071 7.697 -3.966 1.00 0.00 C ATOM 0 H LEU A 21 -4.298 7.629 -1.929 1.00 0.00 H new ATOM 0 HA LEU A 21 -3.067 10.126 -2.592 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -4.298 8.227 -4.584 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.867 9.225 -4.755 1.00 0.00 H new ATOM 0 HG LEU A 21 -2.651 7.196 -2.626 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.336 5.311 -4.187 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -4.008 5.918 -4.213 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -2.889 6.339 -5.531 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.463 6.832 -3.700 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -0.938 7.922 -5.024 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -0.761 8.556 -3.371 1.00 0.00 H new ATOM 383 N SER A 22 -6.260 9.667 -3.279 1.00 0.00 N ATOM 384 CA SER A 22 -7.492 10.352 -3.654 1.00 0.00 C ATOM 385 C SER A 22 -7.793 11.500 -2.694 1.00 0.00 C ATOM 386 O SER A 22 -8.058 12.624 -3.120 1.00 0.00 O ATOM 387 CB SER A 22 -8.662 9.367 -3.669 1.00 0.00 C ATOM 388 OG SER A 22 -9.811 9.947 -4.263 1.00 0.00 O ATOM 0 H SER A 22 -6.384 8.689 -3.016 1.00 0.00 H new ATOM 0 HA SER A 22 -7.358 10.765 -4.654 1.00 0.00 H new ATOM 0 HB2 SER A 22 -8.379 8.470 -4.219 1.00 0.00 H new ATOM 0 HB3 SER A 22 -8.893 9.057 -2.650 1.00 0.00 H new ATOM 0 HG SER A 22 -10.544 9.296 -4.262 1.00 0.00 H new ATOM 394 N SER A 23 -7.751 11.209 -1.398 1.00 0.00 N ATOM 395 CA SER A 23 -8.020 12.218 -0.380 1.00 0.00 C ATOM 396 C SER A 23 -7.020 13.366 -0.475 1.00 0.00 C ATOM 397 O SER A 23 -7.347 14.514 -0.171 1.00 0.00 O ATOM 398 CB SER A 23 -7.967 11.594 1.016 1.00 0.00 C ATOM 399 OG SER A 23 -8.336 12.533 2.009 1.00 0.00 O ATOM 0 H SER A 23 -7.533 10.284 -1.028 1.00 0.00 H new ATOM 0 HA SER A 23 -9.020 12.615 -0.554 1.00 0.00 H new ATOM 0 HB2 SER A 23 -8.635 10.734 1.059 1.00 0.00 H new ATOM 0 HB3 SER A 23 -6.960 11.226 1.215 1.00 0.00 H new ATOM 0 HG SER A 23 -8.295 12.109 2.892 1.00 0.00 H new ATOM 405 N ASN A 24 -5.802 13.048 -0.900 1.00 0.00 N ATOM 406 CA ASN A 24 -4.755 14.054 -1.037 1.00 0.00 C ATOM 407 C ASN A 24 -3.512 13.457 -1.688 1.00 0.00 C ATOM 408 O ASN A 24 -3.324 12.241 -1.692 1.00 0.00 O ATOM 409 CB ASN A 24 -4.400 14.639 0.331 1.00 0.00 C ATOM 410 CG ASN A 24 -3.846 13.596 1.281 1.00 0.00 C ATOM 411 OD1 ASN A 24 -2.643 13.550 1.538 1.00 0.00 O ATOM 412 ND2 ASN A 24 -4.724 12.752 1.809 1.00 0.00 N ATOM 0 H ASN A 24 -5.516 12.103 -1.155 1.00 0.00 H new ATOM 0 HA ASN A 24 -5.131 14.852 -1.678 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -3.667 15.435 0.203 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -5.289 15.091 0.771 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -4.410 12.029 2.456 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -5.712 12.827 1.568 1.00 0.00 H new ATOM 419 N ARG A 25 -2.666 14.321 -2.239 1.00 0.00 N ATOM 420 CA ARG A 25 -1.441 13.879 -2.895 1.00 0.00 C ATOM 421 C ARG A 25 -0.549 13.113 -1.923 1.00 0.00 C ATOM 422 O ARG A 25 0.149 12.178 -2.314 1.00 0.00 O ATOM 423 CB ARG A 25 -0.682 15.080 -3.465 1.00 0.00 C ATOM 424 CG ARG A 25 -1.283 15.622 -4.751 1.00 0.00 C ATOM 425 CD ARG A 25 -0.757 17.011 -5.071 1.00 0.00 C ATOM 426 NE ARG A 25 -1.026 17.392 -6.456 1.00 0.00 N ATOM 427 CZ ARG A 25 -0.994 18.648 -6.898 1.00 0.00 C ATOM 428 NH1 ARG A 25 -0.704 19.643 -6.071 1.00 0.00 N ATOM 429 NH2 ARG A 25 -1.253 18.907 -8.173 1.00 0.00 N ATOM 0 H ARG A 25 -2.806 15.331 -2.244 1.00 0.00 H new ATOM 0 HA ARG A 25 -1.716 13.210 -3.711 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -0.663 15.875 -2.719 1.00 0.00 H new ATOM 0 HB3 ARG A 25 0.353 14.791 -3.650 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -1.052 14.946 -5.574 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -2.369 15.655 -4.660 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -1.216 17.736 -4.400 1.00 0.00 H new ATOM 0 HD3 ARG A 25 0.317 17.043 -4.888 1.00 0.00 H new ATOM 0 HE ARG A 25 -1.251 16.654 -7.123 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -0.504 19.449 -5.090 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -0.681 20.603 -6.416 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -1.476 18.145 -8.813 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -1.229 19.868 -8.513 1.00 0.00 H new ATOM 443 N CYS A 26 -0.578 13.515 -0.657 1.00 0.00 N ATOM 444 CA CYS A 26 0.227 12.864 0.371 1.00 0.00 C ATOM 445 C CYS A 26 1.711 12.927 0.021 1.00 0.00 C ATOM 446 O CYS A 26 2.481 12.035 0.377 1.00 0.00 O ATOM 447 CB CYS A 26 -0.206 11.408 0.543 1.00 0.00 C ATOM 448 SG CYS A 26 -0.046 10.786 2.233 1.00 0.00 S ATOM 0 H CYS A 26 -1.150 14.288 -0.318 1.00 0.00 H new ATOM 0 HA CYS A 26 0.070 13.395 1.310 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -1.245 11.309 0.228 1.00 0.00 H new ATOM 0 HB3 CYS A 26 0.390 10.782 -0.121 1.00 0.00 H new ATOM 0 HG CYS A 26 -0.438 9.547 2.278 1.00 0.00 H new ATOM 454 N GLY A 27 2.105 13.987 -0.679 1.00 0.00 N ATOM 455 CA GLY A 27 3.495 14.147 -1.064 1.00 0.00 C ATOM 456 C GLY A 27 3.652 14.500 -2.531 1.00 0.00 C ATOM 457 O GLY A 27 2.890 14.030 -3.375 1.00 0.00 O ATOM 0 H GLY A 27 1.486 14.737 -0.986 1.00 0.00 H new ATOM 0 HA2 GLY A 27 3.950 14.928 -0.455 1.00 0.00 H new ATOM 0 HA3 GLY A 27 4.036 13.224 -0.855 1.00 0.00 H new ATOM 461 N LYS A 28 4.645 15.331 -2.834 1.00 0.00 N ATOM 462 CA LYS A 28 4.899 15.747 -4.208 1.00 0.00 C ATOM 463 C LYS A 28 5.503 14.605 -5.020 1.00 0.00 C ATOM 464 O LYS A 28 6.712 14.376 -4.985 1.00 0.00 O ATOM 465 CB LYS A 28 5.836 16.956 -4.231 1.00 0.00 C ATOM 466 CG LYS A 28 5.269 18.179 -3.526 1.00 0.00 C ATOM 467 CD LYS A 28 5.966 18.436 -2.200 1.00 0.00 C ATOM 468 CE LYS A 28 5.472 19.718 -1.550 1.00 0.00 C ATOM 469 NZ LYS A 28 6.052 20.928 -2.194 1.00 0.00 N ATOM 0 H LYS A 28 5.286 15.729 -2.147 1.00 0.00 H new ATOM 0 HA LYS A 28 3.947 16.025 -4.659 1.00 0.00 H new ATOM 0 HB2 LYS A 28 6.781 16.682 -3.762 1.00 0.00 H new ATOM 0 HB3 LYS A 28 6.057 17.214 -5.267 1.00 0.00 H new ATOM 0 HG2 LYS A 28 5.377 19.052 -4.169 1.00 0.00 H new ATOM 0 HG3 LYS A 28 4.202 18.039 -3.355 1.00 0.00 H new ATOM 0 HD2 LYS A 28 5.792 17.596 -1.528 1.00 0.00 H new ATOM 0 HD3 LYS A 28 7.042 18.499 -2.360 1.00 0.00 H new ATOM 0 HE2 LYS A 28 4.385 19.760 -1.612 1.00 0.00 H new ATOM 0 HE3 LYS A 28 5.731 19.711 -0.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 5.690 21.780 -1.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 7.088 20.901 -2.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 5.784 20.949 -3.199 1.00 0.00 H new ATOM 483 N TYR A 29 4.652 13.892 -5.750 1.00 0.00 N ATOM 484 CA TYR A 29 5.101 12.773 -6.572 1.00 0.00 C ATOM 485 C TYR A 29 5.746 11.689 -5.710 1.00 0.00 C ATOM 486 O TYR A 29 6.880 11.277 -5.955 1.00 0.00 O ATOM 487 CB TYR A 29 6.087 13.262 -7.635 1.00 0.00 C ATOM 488 CG TYR A 29 5.455 13.485 -8.990 1.00 0.00 C ATOM 489 CD1 TYR A 29 4.619 14.570 -9.219 1.00 0.00 C ATOM 490 CD2 TYR A 29 5.697 12.610 -10.043 1.00 0.00 C ATOM 491 CE1 TYR A 29 4.040 14.776 -10.457 1.00 0.00 C ATOM 492 CE2 TYR A 29 5.122 12.809 -11.284 1.00 0.00 C ATOM 493 CZ TYR A 29 4.295 13.894 -11.486 1.00 0.00 C ATOM 494 OH TYR A 29 3.721 14.096 -12.720 1.00 0.00 O ATOM 0 H TYR A 29 3.648 14.068 -5.790 1.00 0.00 H new ATOM 0 HA TYR A 29 4.232 12.341 -7.068 1.00 0.00 H new ATOM 0 HB2 TYR A 29 6.540 14.194 -7.297 1.00 0.00 H new ATOM 0 HB3 TYR A 29 6.892 12.534 -7.734 1.00 0.00 H new ATOM 0 HD1 TYR A 29 4.418 15.264 -8.417 1.00 0.00 H new ATOM 0 HD2 TYR A 29 6.345 11.760 -9.889 1.00 0.00 H new ATOM 0 HE1 TYR A 29 3.391 15.624 -10.618 1.00 0.00 H new ATOM 0 HE2 TYR A 29 5.319 12.119 -12.091 1.00 0.00 H new ATOM 0 HH TYR A 29 4.004 13.385 -13.333 1.00 0.00 H new ATOM 504 N VAL A 30 5.013 11.232 -4.702 1.00 0.00 N ATOM 505 CA VAL A 30 5.510 10.195 -3.805 1.00 0.00 C ATOM 506 C VAL A 30 5.848 8.922 -4.574 1.00 0.00 C ATOM 507 O VAL A 30 5.057 8.448 -5.389 1.00 0.00 O ATOM 508 CB VAL A 30 4.483 9.867 -2.703 1.00 0.00 C ATOM 509 CG1 VAL A 30 3.194 9.336 -3.310 1.00 0.00 C ATOM 510 CG2 VAL A 30 5.064 8.872 -1.709 1.00 0.00 C ATOM 0 H VAL A 30 4.073 11.563 -4.485 1.00 0.00 H new ATOM 0 HA VAL A 30 6.416 10.583 -3.339 1.00 0.00 H new ATOM 0 HB VAL A 30 4.250 10.787 -2.167 1.00 0.00 H new ATOM 0 HG11 VAL A 30 2.483 9.111 -2.515 1.00 0.00 H new ATOM 0 HG12 VAL A 30 2.769 10.087 -3.975 1.00 0.00 H new ATOM 0 HG13 VAL A 30 3.405 8.428 -3.876 1.00 0.00 H new ATOM 0 HG21 VAL A 30 4.324 8.653 -0.939 1.00 0.00 H new ATOM 0 HG22 VAL A 30 5.330 7.952 -2.229 1.00 0.00 H new ATOM 0 HG23 VAL A 30 5.954 9.298 -1.246 1.00 0.00 H new ATOM 520 N ASP A 31 7.028 8.371 -4.309 1.00 0.00 N ATOM 521 CA ASP A 31 7.470 7.153 -4.977 1.00 0.00 C ATOM 522 C ASP A 31 7.185 5.925 -4.117 1.00 0.00 C ATOM 523 O ASP A 31 6.677 6.040 -3.002 1.00 0.00 O ATOM 524 CB ASP A 31 8.964 7.234 -5.293 1.00 0.00 C ATOM 525 CG ASP A 31 9.236 7.897 -6.630 1.00 0.00 C ATOM 526 OD1 ASP A 31 9.335 9.142 -6.665 1.00 0.00 O ATOM 527 OD2 ASP A 31 9.351 7.171 -7.639 1.00 0.00 O ATOM 0 H ASP A 31 7.695 8.749 -3.636 1.00 0.00 H new ATOM 0 HA ASP A 31 6.913 7.057 -5.909 1.00 0.00 H new ATOM 0 HB2 ASP A 31 9.470 7.791 -4.504 1.00 0.00 H new ATOM 0 HB3 ASP A 31 9.387 6.230 -5.296 1.00 0.00 H new ATOM 532 N THR A 32 7.517 4.750 -4.644 1.00 0.00 N ATOM 533 CA THR A 32 7.297 3.499 -3.924 1.00 0.00 C ATOM 534 C THR A 32 8.046 3.500 -2.596 1.00 0.00 C ATOM 535 O THR A 32 7.445 3.341 -1.533 1.00 0.00 O ATOM 536 CB THR A 32 7.746 2.311 -4.776 1.00 0.00 C ATOM 537 OG1 THR A 32 9.095 2.463 -5.179 1.00 0.00 O ATOM 538 CG2 THR A 32 6.912 2.120 -6.025 1.00 0.00 C ATOM 0 H THR A 32 7.939 4.638 -5.566 1.00 0.00 H new ATOM 0 HA THR A 32 6.230 3.407 -3.720 1.00 0.00 H new ATOM 0 HB THR A 32 7.621 1.436 -4.138 1.00 0.00 H new ATOM 0 HG1 THR A 32 9.511 1.580 -5.268 1.00 0.00 H new ATOM 0 HG21 THR A 32 7.284 1.261 -6.583 1.00 0.00 H new ATOM 0 HG22 THR A 32 5.872 1.949 -5.746 1.00 0.00 H new ATOM 0 HG23 THR A 32 6.978 3.013 -6.647 1.00 0.00 H new ATOM 546 N GLY A 33 9.361 3.684 -2.663 1.00 0.00 N ATOM 547 CA GLY A 33 10.170 3.705 -1.458 1.00 0.00 C ATOM 548 C GLY A 33 9.730 4.786 -0.491 1.00 0.00 C ATOM 549 O GLY A 33 9.837 4.624 0.725 1.00 0.00 O ATOM 0 H GLY A 33 9.881 3.819 -3.530 1.00 0.00 H new ATOM 0 HA2 GLY A 33 10.111 2.734 -0.966 1.00 0.00 H new ATOM 0 HA3 GLY A 33 11.214 3.863 -1.727 1.00 0.00 H new ATOM 553 N ILE A 34 9.232 5.893 -1.034 1.00 0.00 N ATOM 554 CA ILE A 34 8.770 7.006 -0.216 1.00 0.00 C ATOM 555 C ILE A 34 7.418 6.693 0.414 1.00 0.00 C ATOM 556 O ILE A 34 7.203 6.937 1.602 1.00 0.00 O ATOM 557 CB ILE A 34 8.651 8.299 -1.047 1.00 0.00 C ATOM 558 CG1 ILE A 34 9.955 8.569 -1.799 1.00 0.00 C ATOM 559 CG2 ILE A 34 8.296 9.477 -0.152 1.00 0.00 C ATOM 560 CD1 ILE A 34 9.912 9.815 -2.657 1.00 0.00 C ATOM 0 H ILE A 34 9.139 6.042 -2.039 1.00 0.00 H new ATOM 0 HA ILE A 34 9.510 7.156 0.570 1.00 0.00 H new ATOM 0 HB ILE A 34 7.851 8.170 -1.777 1.00 0.00 H new ATOM 0 HG12 ILE A 34 10.768 8.662 -1.079 1.00 0.00 H new ATOM 0 HG13 ILE A 34 10.185 7.711 -2.430 1.00 0.00 H new ATOM 0 HG21 ILE A 34 8.216 10.381 -0.755 1.00 0.00 H new ATOM 0 HG22 ILE A 34 7.343 9.285 0.342 1.00 0.00 H new ATOM 0 HG23 ILE A 34 9.074 9.610 0.600 1.00 0.00 H new ATOM 0 HD11 ILE A 34 10.870 9.943 -3.160 1.00 0.00 H new ATOM 0 HD12 ILE A 34 9.121 9.717 -3.401 1.00 0.00 H new ATOM 0 HD13 ILE A 34 9.713 10.683 -2.028 1.00 0.00 H new ATOM 572 N LEU A 35 6.510 6.150 -0.389 1.00 0.00 N ATOM 573 CA LEU A 35 5.178 5.801 0.087 1.00 0.00 C ATOM 574 C LEU A 35 5.254 4.749 1.187 1.00 0.00 C ATOM 575 O LEU A 35 4.565 4.844 2.201 1.00 0.00 O ATOM 576 CB LEU A 35 4.319 5.288 -1.069 1.00 0.00 C ATOM 577 CG LEU A 35 2.814 5.503 -0.902 1.00 0.00 C ATOM 578 CD1 LEU A 35 2.056 4.884 -2.066 1.00 0.00 C ATOM 579 CD2 LEU A 35 2.336 4.918 0.419 1.00 0.00 C ATOM 0 H LEU A 35 6.673 5.942 -1.374 1.00 0.00 H new ATOM 0 HA LEU A 35 4.718 6.699 0.499 1.00 0.00 H new ATOM 0 HB2 LEU A 35 4.641 5.780 -1.987 1.00 0.00 H new ATOM 0 HB3 LEU A 35 4.506 4.222 -1.196 1.00 0.00 H new ATOM 0 HG LEU A 35 2.617 6.575 -0.894 1.00 0.00 H new ATOM 0 HD11 LEU A 35 0.987 5.046 -1.931 1.00 0.00 H new ATOM 0 HD12 LEU A 35 2.379 5.348 -2.998 1.00 0.00 H new ATOM 0 HD13 LEU A 35 2.259 3.814 -2.104 1.00 0.00 H new ATOM 0 HD21 LEU A 35 1.263 5.080 0.522 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.545 3.849 0.440 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.857 5.406 1.243 1.00 0.00 H new ATOM 591 N ALA A 36 6.099 3.743 0.978 1.00 0.00 N ATOM 592 CA ALA A 36 6.266 2.672 1.952 1.00 0.00 C ATOM 593 C ALA A 36 6.719 3.222 3.299 1.00 0.00 C ATOM 594 O ALA A 36 6.306 2.733 4.351 1.00 0.00 O ATOM 595 CB ALA A 36 7.264 1.644 1.437 1.00 0.00 C ATOM 0 H ALA A 36 6.678 3.648 0.143 1.00 0.00 H new ATOM 0 HA ALA A 36 5.300 2.187 2.093 1.00 0.00 H new ATOM 0 HB1 ALA A 36 7.380 0.849 2.174 1.00 0.00 H new ATOM 0 HB2 ALA A 36 6.900 1.221 0.501 1.00 0.00 H new ATOM 0 HB3 ALA A 36 8.227 2.125 1.268 1.00 0.00 H new ATOM 601 N SER A 37 7.568 4.244 3.261 1.00 0.00 N ATOM 602 CA SER A 37 8.076 4.863 4.479 1.00 0.00 C ATOM 603 C SER A 37 7.000 5.714 5.145 1.00 0.00 C ATOM 604 O SER A 37 6.889 5.745 6.369 1.00 0.00 O ATOM 605 CB SER A 37 9.303 5.720 4.168 1.00 0.00 C ATOM 606 OG SER A 37 10.272 5.617 5.198 1.00 0.00 O ATOM 0 H SER A 37 7.919 4.661 2.399 1.00 0.00 H new ATOM 0 HA SER A 37 8.364 4.069 5.168 1.00 0.00 H new ATOM 0 HB2 SER A 37 9.740 5.405 3.221 1.00 0.00 H new ATOM 0 HB3 SER A 37 9.003 6.761 4.050 1.00 0.00 H new ATOM 0 HG SER A 37 11.047 6.173 4.974 1.00 0.00 H new ATOM 612 N ASP A 38 6.210 6.405 4.331 1.00 0.00 N ATOM 613 CA ASP A 38 5.143 7.258 4.842 1.00 0.00 C ATOM 614 C ASP A 38 3.959 6.422 5.321 1.00 0.00 C ATOM 615 O ASP A 38 3.335 6.736 6.335 1.00 0.00 O ATOM 616 CB ASP A 38 4.687 8.241 3.761 1.00 0.00 C ATOM 617 CG ASP A 38 5.437 9.557 3.825 1.00 0.00 C ATOM 618 OD1 ASP A 38 6.680 9.528 3.933 1.00 0.00 O ATOM 619 OD2 ASP A 38 4.780 10.617 3.766 1.00 0.00 O ATOM 0 H ASP A 38 6.288 6.391 3.314 1.00 0.00 H new ATOM 0 HA ASP A 38 5.534 7.818 5.691 1.00 0.00 H new ATOM 0 HB2 ASP A 38 4.832 7.790 2.779 1.00 0.00 H new ATOM 0 HB3 ASP A 38 3.619 8.429 3.871 1.00 0.00 H new ATOM 624 N LEU A 39 3.657 5.358 4.584 1.00 0.00 N ATOM 625 CA LEU A 39 2.548 4.478 4.934 1.00 0.00 C ATOM 626 C LEU A 39 2.821 3.757 6.251 1.00 0.00 C ATOM 627 O LEU A 39 1.934 3.632 7.096 1.00 0.00 O ATOM 628 CB LEU A 39 2.307 3.458 3.818 1.00 0.00 C ATOM 629 CG LEU A 39 0.845 3.056 3.609 1.00 0.00 C ATOM 630 CD1 LEU A 39 -0.025 4.285 3.393 1.00 0.00 C ATOM 631 CD2 LEU A 39 0.723 2.099 2.432 1.00 0.00 C ATOM 0 H LEU A 39 4.164 5.085 3.742 1.00 0.00 H new ATOM 0 HA LEU A 39 1.654 5.090 5.055 1.00 0.00 H new ATOM 0 HB2 LEU A 39 2.692 3.867 2.884 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.887 2.561 4.036 1.00 0.00 H new ATOM 0 HG LEU A 39 0.496 2.547 4.507 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -1.060 3.977 3.246 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.040 4.935 4.266 1.00 0.00 H new ATOM 0 HD13 LEU A 39 0.321 4.825 2.512 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -0.322 1.822 2.295 1.00 0.00 H new ATOM 0 HD22 LEU A 39 1.091 2.585 1.528 1.00 0.00 H new ATOM 0 HD23 LEU A 39 1.313 1.204 2.628 1.00 0.00 H new ATOM 643 N GLN A 40 4.052 3.282 6.422 1.00 0.00 N ATOM 644 CA GLN A 40 4.437 2.575 7.639 1.00 0.00 C ATOM 645 C GLN A 40 4.601 3.539 8.811 1.00 0.00 C ATOM 646 O GLN A 40 4.352 3.178 9.961 1.00 0.00 O ATOM 647 CB GLN A 40 5.735 1.792 7.416 1.00 0.00 C ATOM 648 CG GLN A 40 6.956 2.675 7.212 1.00 0.00 C ATOM 649 CD GLN A 40 7.982 2.518 8.318 1.00 0.00 C ATOM 650 OE1 GLN A 40 8.049 1.480 8.976 1.00 0.00 O ATOM 651 NE2 GLN A 40 8.787 3.552 8.529 1.00 0.00 N ATOM 0 H GLN A 40 4.799 3.374 5.734 1.00 0.00 H new ATOM 0 HA GLN A 40 3.638 1.875 7.884 1.00 0.00 H new ATOM 0 HB2 GLN A 40 5.908 1.141 8.273 1.00 0.00 H new ATOM 0 HB3 GLN A 40 5.615 1.147 6.545 1.00 0.00 H new ATOM 0 HG2 GLN A 40 7.419 2.433 6.255 1.00 0.00 H new ATOM 0 HG3 GLN A 40 6.641 3.717 7.159 1.00 0.00 H new ATOM 0 HE21 GLN A 40 8.696 4.393 7.960 1.00 0.00 H new ATOM 0 HE22 GLN A 40 9.496 3.505 9.261 1.00 0.00 H new ATOM 660 N ARG A 41 5.022 4.766 8.514 1.00 0.00 N ATOM 661 CA ARG A 41 5.217 5.773 9.553 1.00 0.00 C ATOM 662 C ARG A 41 3.897 6.105 10.241 1.00 0.00 C ATOM 663 O ARG A 41 3.816 6.133 11.469 1.00 0.00 O ATOM 664 CB ARG A 41 5.826 7.044 8.956 1.00 0.00 C ATOM 665 CG ARG A 41 6.383 7.999 10.000 1.00 0.00 C ATOM 666 CD ARG A 41 7.855 7.732 10.269 1.00 0.00 C ATOM 667 NE ARG A 41 8.606 8.968 10.485 1.00 0.00 N ATOM 668 CZ ARG A 41 9.900 9.004 10.792 1.00 0.00 C ATOM 669 NH1 ARG A 41 10.590 7.878 10.921 1.00 0.00 N ATOM 670 NH2 ARG A 41 10.507 10.170 10.972 1.00 0.00 N ATOM 0 H ARG A 41 5.233 5.085 7.569 1.00 0.00 H new ATOM 0 HA ARG A 41 5.903 5.364 10.295 1.00 0.00 H new ATOM 0 HB2 ARG A 41 6.624 6.766 8.267 1.00 0.00 H new ATOM 0 HB3 ARG A 41 5.066 7.561 8.371 1.00 0.00 H new ATOM 0 HG2 ARG A 41 6.255 9.027 9.660 1.00 0.00 H new ATOM 0 HG3 ARG A 41 5.818 7.897 10.927 1.00 0.00 H new ATOM 0 HD2 ARG A 41 7.953 7.091 11.145 1.00 0.00 H new ATOM 0 HD3 ARG A 41 8.285 7.189 9.427 1.00 0.00 H new ATOM 0 HE ARG A 41 8.109 9.854 10.395 1.00 0.00 H new ATOM 0 HH11 ARG A 41 10.129 6.979 10.785 1.00 0.00 H new ATOM 0 HH12 ARG A 41 11.582 7.912 11.156 1.00 0.00 H new ATOM 0 HH21 ARG A 41 9.982 11.039 10.875 1.00 0.00 H new ATOM 0 HH22 ARG A 41 11.499 10.198 11.207 1.00 0.00 H new ATOM 684 N LEU A 42 2.865 6.351 9.442 1.00 0.00 N ATOM 685 CA LEU A 42 1.548 6.677 9.979 1.00 0.00 C ATOM 686 C LEU A 42 0.885 5.436 10.571 1.00 0.00 C ATOM 687 O LEU A 42 0.158 5.521 11.561 1.00 0.00 O ATOM 688 CB LEU A 42 0.660 7.283 8.890 1.00 0.00 C ATOM 689 CG LEU A 42 0.560 6.469 7.597 1.00 0.00 C ATOM 690 CD1 LEU A 42 -0.698 5.615 7.601 1.00 0.00 C ATOM 691 CD2 LEU A 42 0.577 7.388 6.384 1.00 0.00 C ATOM 0 H LEU A 42 2.914 6.331 8.423 1.00 0.00 H new ATOM 0 HA LEU A 42 1.677 7.412 10.773 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -0.343 7.415 9.295 1.00 0.00 H new ATOM 0 HB3 LEU A 42 1.039 8.276 8.646 1.00 0.00 H new ATOM 0 HG LEU A 42 1.425 5.808 7.539 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.753 5.043 6.675 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -0.670 4.930 8.449 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -1.574 6.258 7.683 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.505 6.791 5.475 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.268 8.074 6.436 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.506 7.957 6.372 1.00 0.00 H new ATOM 703 N TYR A 43 1.144 4.284 9.959 1.00 0.00 N ATOM 704 CA TYR A 43 0.578 3.024 10.429 1.00 0.00 C ATOM 705 C TYR A 43 1.672 2.110 10.973 1.00 0.00 C ATOM 706 O TYR A 43 1.709 0.918 10.669 1.00 0.00 O ATOM 707 CB TYR A 43 -0.171 2.322 9.294 1.00 0.00 C ATOM 708 CG TYR A 43 -1.617 2.746 9.170 1.00 0.00 C ATOM 709 CD1 TYR A 43 -2.430 2.844 10.291 1.00 0.00 C ATOM 710 CD2 TYR A 43 -2.167 3.047 7.931 1.00 0.00 C ATOM 711 CE1 TYR A 43 -3.753 3.230 10.181 1.00 0.00 C ATOM 712 CE2 TYR A 43 -3.487 3.435 7.812 1.00 0.00 C ATOM 713 CZ TYR A 43 -4.276 3.524 8.940 1.00 0.00 C ATOM 714 OH TYR A 43 -5.592 3.910 8.825 1.00 0.00 O ATOM 0 H TYR A 43 1.742 4.197 9.137 1.00 0.00 H new ATOM 0 HA TYR A 43 -0.123 3.245 11.234 1.00 0.00 H new ATOM 0 HB2 TYR A 43 0.340 2.524 8.353 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -0.129 1.245 9.454 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -2.022 2.615 11.265 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -1.552 2.977 7.046 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -4.373 3.301 11.062 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -3.899 3.667 6.841 1.00 0.00 H new ATOM 0 HH TYR A 43 -5.802 4.081 7.883 1.00 0.00 H new ATOM 724 N SER A 44 2.563 2.680 11.777 1.00 0.00 N ATOM 725 CA SER A 44 3.661 1.919 12.363 1.00 0.00 C ATOM 726 C SER A 44 3.137 0.779 13.231 1.00 0.00 C ATOM 727 O SER A 44 3.597 -0.358 13.123 1.00 0.00 O ATOM 728 CB SER A 44 4.559 2.837 13.195 1.00 0.00 C ATOM 729 OG SER A 44 3.826 3.931 13.717 1.00 0.00 O ATOM 0 H SER A 44 2.547 3.666 12.038 1.00 0.00 H new ATOM 0 HA SER A 44 4.245 1.490 11.548 1.00 0.00 H new ATOM 0 HB2 SER A 44 5.005 2.271 14.013 1.00 0.00 H new ATOM 0 HB3 SER A 44 5.379 3.206 12.578 1.00 0.00 H new ATOM 0 HG SER A 44 3.861 4.679 13.085 1.00 0.00 H new ATOM 735 N VAL A 45 2.174 1.090 14.093 1.00 0.00 N ATOM 736 CA VAL A 45 1.591 0.091 14.979 1.00 0.00 C ATOM 737 C VAL A 45 0.812 -0.959 14.193 1.00 0.00 C ATOM 738 O VAL A 45 0.731 -2.119 14.599 1.00 0.00 O ATOM 739 CB VAL A 45 0.653 0.736 16.016 1.00 0.00 C ATOM 740 CG1 VAL A 45 1.438 1.633 16.962 1.00 0.00 C ATOM 741 CG2 VAL A 45 -0.452 1.518 15.322 1.00 0.00 C ATOM 0 H VAL A 45 1.782 2.026 14.196 1.00 0.00 H new ATOM 0 HA VAL A 45 2.421 -0.389 15.498 1.00 0.00 H new ATOM 0 HB VAL A 45 0.191 -0.057 16.604 1.00 0.00 H new ATOM 0 HG11 VAL A 45 0.758 2.080 17.688 1.00 0.00 H new ATOM 0 HG12 VAL A 45 2.189 1.041 17.485 1.00 0.00 H new ATOM 0 HG13 VAL A 45 1.930 2.421 16.392 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -1.105 1.967 16.070 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -0.011 2.303 14.707 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -1.032 0.845 14.690 1.00 0.00 H new ATOM 751 N ASP A 46 0.241 -0.545 13.067 1.00 0.00 N ATOM 752 CA ASP A 46 -0.533 -1.452 12.226 1.00 0.00 C ATOM 753 C ASP A 46 0.371 -2.187 11.240 1.00 0.00 C ATOM 754 O ASP A 46 0.642 -3.377 11.401 1.00 0.00 O ATOM 755 CB ASP A 46 -1.612 -0.678 11.465 1.00 0.00 C ATOM 756 CG ASP A 46 -2.746 -0.231 12.366 1.00 0.00 C ATOM 757 OD1 ASP A 46 -3.537 -1.095 12.799 1.00 0.00 O ATOM 758 OD2 ASP A 46 -2.845 0.984 12.638 1.00 0.00 O ATOM 0 H ASP A 46 0.299 0.411 12.716 1.00 0.00 H new ATOM 0 HA ASP A 46 -1.010 -2.189 12.873 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -1.163 0.195 10.990 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -2.011 -1.305 10.667 1.00 0.00 H new ATOM 763 N TYR A 47 0.833 -1.470 10.221 1.00 0.00 N ATOM 764 CA TYR A 47 1.706 -2.055 9.209 1.00 0.00 C ATOM 765 C TYR A 47 3.030 -2.500 9.820 1.00 0.00 C ATOM 766 O TYR A 47 3.388 -3.677 9.759 1.00 0.00 O ATOM 767 CB TYR A 47 1.963 -1.048 8.087 1.00 0.00 C ATOM 768 CG TYR A 47 0.866 -1.003 7.047 1.00 0.00 C ATOM 769 CD1 TYR A 47 0.328 -2.174 6.526 1.00 0.00 C ATOM 770 CD2 TYR A 47 0.370 0.209 6.584 1.00 0.00 C ATOM 771 CE1 TYR A 47 -0.674 -2.138 5.574 1.00 0.00 C ATOM 772 CE2 TYR A 47 -0.632 0.253 5.633 1.00 0.00 C ATOM 773 CZ TYR A 47 -1.149 -0.922 5.132 1.00 0.00 C ATOM 774 OH TYR A 47 -2.147 -0.882 4.184 1.00 0.00 O ATOM 0 H TYR A 47 0.618 -0.484 10.074 1.00 0.00 H new ATOM 0 HA TYR A 47 1.206 -2.931 8.797 1.00 0.00 H new ATOM 0 HB2 TYR A 47 2.080 -0.055 8.522 1.00 0.00 H new ATOM 0 HB3 TYR A 47 2.905 -1.295 7.598 1.00 0.00 H new ATOM 0 HD1 TYR A 47 0.699 -3.128 6.871 1.00 0.00 H new ATOM 0 HD2 TYR A 47 0.774 1.132 6.973 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -1.082 -3.057 5.179 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -1.008 1.204 5.284 1.00 0.00 H new ATOM 0 HH TYR A 47 -2.369 0.051 3.982 1.00 0.00 H new ATOM 784 N GLY A 48 3.755 -1.553 10.406 1.00 0.00 N ATOM 785 CA GLY A 48 5.032 -1.867 11.018 1.00 0.00 C ATOM 786 C GLY A 48 4.908 -2.883 12.136 1.00 0.00 C ATOM 787 O GLY A 48 4.797 -2.518 13.307 1.00 0.00 O ATOM 0 H GLY A 48 3.480 -0.573 10.468 1.00 0.00 H new ATOM 0 HA2 GLY A 48 5.711 -2.251 10.257 1.00 0.00 H new ATOM 0 HA3 GLY A 48 5.477 -0.953 11.410 1.00 0.00 H new ATOM 791 N ARG A 49 4.926 -4.163 11.777 1.00 0.00 N ATOM 792 CA ARG A 49 4.813 -5.234 12.760 1.00 0.00 C ATOM 793 C ARG A 49 5.747 -6.391 12.417 1.00 0.00 C ATOM 794 O ARG A 49 6.697 -6.672 13.147 1.00 0.00 O ATOM 795 CB ARG A 49 3.368 -5.729 12.839 1.00 0.00 C ATOM 796 CG ARG A 49 2.631 -5.256 14.082 1.00 0.00 C ATOM 797 CD ARG A 49 2.767 -6.250 15.223 1.00 0.00 C ATOM 798 NE ARG A 49 2.512 -5.633 16.522 1.00 0.00 N ATOM 799 CZ ARG A 49 3.374 -4.831 17.144 1.00 0.00 C ATOM 800 NH1 ARG A 49 4.545 -4.547 16.589 1.00 0.00 N ATOM 801 NH2 ARG A 49 3.063 -4.312 18.323 1.00 0.00 N ATOM 0 H ARG A 49 5.018 -4.483 10.813 1.00 0.00 H new ATOM 0 HA ARG A 49 5.106 -4.836 13.732 1.00 0.00 H new ATOM 0 HB2 ARG A 49 2.828 -5.390 11.955 1.00 0.00 H new ATOM 0 HB3 ARG A 49 3.364 -6.819 12.817 1.00 0.00 H new ATOM 0 HG2 ARG A 49 3.024 -4.288 14.393 1.00 0.00 H new ATOM 0 HG3 ARG A 49 1.576 -5.112 13.848 1.00 0.00 H new ATOM 0 HD2 ARG A 49 2.070 -7.074 15.070 1.00 0.00 H new ATOM 0 HD3 ARG A 49 3.770 -6.676 15.215 1.00 0.00 H new ATOM 0 HE ARG A 49 1.621 -5.828 16.980 1.00 0.00 H new ATOM 0 HH11 ARG A 49 4.789 -4.944 15.681 1.00 0.00 H new ATOM 0 HH12 ARG A 49 5.202 -3.932 17.070 1.00 0.00 H new ATOM 0 HH21 ARG A 49 2.164 -4.527 18.754 1.00 0.00 H new ATOM 0 HH22 ARG A 49 3.723 -3.698 18.800 1.00 0.00 H new ATOM 815 N ARG A 50 5.469 -7.060 11.301 1.00 0.00 N ATOM 816 CA ARG A 50 6.284 -8.187 10.864 1.00 0.00 C ATOM 817 C ARG A 50 6.750 -8.000 9.422 1.00 0.00 C ATOM 818 O ARG A 50 6.160 -7.229 8.666 1.00 0.00 O ATOM 819 CB ARG A 50 5.496 -9.492 10.992 1.00 0.00 C ATOM 820 CG ARG A 50 5.061 -9.803 12.416 1.00 0.00 C ATOM 821 CD ARG A 50 3.662 -9.277 12.702 1.00 0.00 C ATOM 822 NE ARG A 50 2.709 -10.357 12.944 1.00 0.00 N ATOM 823 CZ ARG A 50 1.388 -10.197 12.927 1.00 0.00 C ATOM 824 NH1 ARG A 50 0.859 -9.005 12.678 1.00 0.00 N ATOM 825 NH2 ARG A 50 0.591 -11.232 13.157 1.00 0.00 N ATOM 0 H ARG A 50 4.687 -6.841 10.685 1.00 0.00 H new ATOM 0 HA ARG A 50 7.164 -8.236 11.506 1.00 0.00 H new ATOM 0 HB2 ARG A 50 4.613 -9.438 10.355 1.00 0.00 H new ATOM 0 HB3 ARG A 50 6.108 -10.314 10.620 1.00 0.00 H new ATOM 0 HG2 ARG A 50 5.085 -10.881 12.577 1.00 0.00 H new ATOM 0 HG3 ARG A 50 5.767 -9.360 13.118 1.00 0.00 H new ATOM 0 HD2 ARG A 50 3.693 -8.620 13.571 1.00 0.00 H new ATOM 0 HD3 ARG A 50 3.322 -8.676 11.859 1.00 0.00 H new ATOM 0 HE ARG A 50 3.077 -11.288 13.137 1.00 0.00 H new ATOM 0 HH11 ARG A 50 1.466 -8.205 12.498 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -0.154 -8.889 12.666 1.00 0.00 H new ATOM 0 HH21 ARG A 50 0.991 -12.151 13.347 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -0.421 -11.109 13.144 1.00 0.00 H new ATOM 839 N LYS A 51 7.812 -8.714 9.053 1.00 0.00 N ATOM 840 CA LYS A 51 8.373 -8.638 7.704 1.00 0.00 C ATOM 841 C LYS A 51 8.448 -7.194 7.209 1.00 0.00 C ATOM 842 O LYS A 51 7.551 -6.715 6.517 1.00 0.00 O ATOM 843 CB LYS A 51 7.546 -9.485 6.731 1.00 0.00 C ATOM 844 CG LYS A 51 6.052 -9.217 6.795 1.00 0.00 C ATOM 845 CD LYS A 51 5.301 -9.989 5.721 1.00 0.00 C ATOM 846 CE LYS A 51 3.858 -10.249 6.122 1.00 0.00 C ATOM 847 NZ LYS A 51 3.611 -11.690 6.405 1.00 0.00 N ATOM 0 H LYS A 51 8.305 -9.356 9.674 1.00 0.00 H new ATOM 0 HA LYS A 51 9.388 -9.033 7.747 1.00 0.00 H new ATOM 0 HB2 LYS A 51 7.895 -9.298 5.715 1.00 0.00 H new ATOM 0 HB3 LYS A 51 7.725 -10.540 6.941 1.00 0.00 H new ATOM 0 HG2 LYS A 51 5.673 -9.497 7.778 1.00 0.00 H new ATOM 0 HG3 LYS A 51 5.867 -8.150 6.674 1.00 0.00 H new ATOM 0 HD2 LYS A 51 5.324 -9.428 4.786 1.00 0.00 H new ATOM 0 HD3 LYS A 51 5.804 -10.938 5.536 1.00 0.00 H new ATOM 0 HE2 LYS A 51 3.615 -9.659 7.005 1.00 0.00 H new ATOM 0 HE3 LYS A 51 3.194 -9.917 5.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 2.616 -11.825 6.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 3.818 -12.251 5.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 4.226 -12.001 7.184 1.00 0.00 H new ATOM 861 N ARG A 52 9.525 -6.507 7.575 1.00 0.00 N ATOM 862 CA ARG A 52 9.724 -5.119 7.175 1.00 0.00 C ATOM 863 C ARG A 52 9.937 -5.008 5.668 1.00 0.00 C ATOM 864 O ARG A 52 9.259 -4.233 4.990 1.00 0.00 O ATOM 865 CB ARG A 52 10.921 -4.522 7.915 1.00 0.00 C ATOM 866 CG ARG A 52 11.002 -3.007 7.823 1.00 0.00 C ATOM 867 CD ARG A 52 12.416 -2.509 8.074 1.00 0.00 C ATOM 868 NE ARG A 52 12.974 -3.048 9.313 1.00 0.00 N ATOM 869 CZ ARG A 52 12.683 -2.579 10.524 1.00 0.00 C ATOM 870 NH1 ARG A 52 11.840 -1.562 10.664 1.00 0.00 N ATOM 871 NH2 ARG A 52 13.234 -3.126 11.597 1.00 0.00 N ATOM 0 H ARG A 52 10.275 -6.890 8.150 1.00 0.00 H new ATOM 0 HA ARG A 52 8.825 -4.560 7.437 1.00 0.00 H new ATOM 0 HB2 ARG A 52 10.869 -4.811 8.965 1.00 0.00 H new ATOM 0 HB3 ARG A 52 11.838 -4.951 7.511 1.00 0.00 H new ATOM 0 HG2 ARG A 52 10.671 -2.683 6.836 1.00 0.00 H new ATOM 0 HG3 ARG A 52 10.323 -2.560 8.550 1.00 0.00 H new ATOM 0 HD2 ARG A 52 13.054 -2.791 7.236 1.00 0.00 H new ATOM 0 HD3 ARG A 52 12.414 -1.420 8.121 1.00 0.00 H new ATOM 0 HE ARG A 52 13.625 -3.830 9.245 1.00 0.00 H new ATOM 0 HH11 ARG A 52 11.413 -1.137 9.841 1.00 0.00 H new ATOM 0 HH12 ARG A 52 11.620 -1.206 11.594 1.00 0.00 H new ATOM 0 HH21 ARG A 52 13.882 -3.907 11.496 1.00 0.00 H new ATOM 0 HH22 ARG A 52 13.010 -2.766 12.525 1.00 0.00 H new ATOM 885 N ASN A 53 10.884 -5.784 5.150 1.00 0.00 N ATOM 886 CA ASN A 53 11.192 -5.770 3.723 1.00 0.00 C ATOM 887 C ASN A 53 9.958 -6.108 2.890 1.00 0.00 C ATOM 888 O ASN A 53 9.727 -5.515 1.836 1.00 0.00 O ATOM 889 CB ASN A 53 12.315 -6.762 3.415 1.00 0.00 C ATOM 890 CG ASN A 53 13.684 -6.206 3.752 1.00 0.00 C ATOM 891 OD1 ASN A 53 13.954 -5.837 4.895 1.00 0.00 O ATOM 892 ND2 ASN A 53 14.560 -6.143 2.755 1.00 0.00 N ATOM 0 H ASN A 53 11.452 -6.431 5.697 1.00 0.00 H new ATOM 0 HA ASN A 53 11.518 -4.764 3.459 1.00 0.00 H new ATOM 0 HB2 ASN A 53 12.150 -7.680 3.978 1.00 0.00 H new ATOM 0 HB3 ASN A 53 12.283 -7.026 2.358 1.00 0.00 H new ATOM 0 HD21 ASN A 53 15.498 -5.778 2.922 1.00 0.00 H new ATOM 0 HD22 ASN A 53 14.295 -6.460 1.822 1.00 0.00 H new ATOM 899 N ALA A 54 9.168 -7.065 3.368 1.00 0.00 N ATOM 900 CA ALA A 54 7.960 -7.481 2.665 1.00 0.00 C ATOM 901 C ALA A 54 7.040 -6.295 2.400 1.00 0.00 C ATOM 902 O ALA A 54 6.468 -6.171 1.316 1.00 0.00 O ATOM 903 CB ALA A 54 7.227 -8.550 3.462 1.00 0.00 C ATOM 0 H ALA A 54 9.343 -7.566 4.239 1.00 0.00 H new ATOM 0 HA ALA A 54 8.257 -7.898 1.703 1.00 0.00 H new ATOM 0 HB1 ALA A 54 6.327 -8.851 2.925 1.00 0.00 H new ATOM 0 HB2 ALA A 54 7.877 -9.415 3.594 1.00 0.00 H new ATOM 0 HB3 ALA A 54 6.951 -8.151 4.438 1.00 0.00 H new ATOM 909 N PHE A 55 6.902 -5.422 3.392 1.00 0.00 N ATOM 910 CA PHE A 55 6.052 -4.245 3.261 1.00 0.00 C ATOM 911 C PHE A 55 6.527 -3.361 2.113 1.00 0.00 C ATOM 912 O PHE A 55 5.722 -2.841 1.342 1.00 0.00 O ATOM 913 CB PHE A 55 6.039 -3.446 4.564 1.00 0.00 C ATOM 914 CG PHE A 55 5.035 -2.329 4.571 1.00 0.00 C ATOM 915 CD1 PHE A 55 3.677 -2.602 4.517 1.00 0.00 C ATOM 916 CD2 PHE A 55 5.448 -1.008 4.630 1.00 0.00 C ATOM 917 CE1 PHE A 55 2.751 -1.577 4.523 1.00 0.00 C ATOM 918 CE2 PHE A 55 4.525 0.022 4.635 1.00 0.00 C ATOM 919 CZ PHE A 55 3.175 -0.264 4.582 1.00 0.00 C ATOM 0 H PHE A 55 7.368 -5.507 4.295 1.00 0.00 H new ATOM 0 HA PHE A 55 5.038 -4.582 3.044 1.00 0.00 H new ATOM 0 HB2 PHE A 55 5.826 -4.121 5.393 1.00 0.00 H new ATOM 0 HB3 PHE A 55 7.032 -3.032 4.737 1.00 0.00 H new ATOM 0 HD1 PHE A 55 3.339 -3.627 4.470 1.00 0.00 H new ATOM 0 HD2 PHE A 55 6.503 -0.780 4.673 1.00 0.00 H new ATOM 0 HE1 PHE A 55 1.696 -1.802 4.482 1.00 0.00 H new ATOM 0 HE2 PHE A 55 4.859 1.048 4.680 1.00 0.00 H new ATOM 0 HZ PHE A 55 2.452 0.538 4.587 1.00 0.00 H new ATOM 929 N ARG A 56 7.843 -3.198 2.005 1.00 0.00 N ATOM 930 CA ARG A 56 8.425 -2.380 0.948 1.00 0.00 C ATOM 931 C ARG A 56 8.043 -2.923 -0.425 1.00 0.00 C ATOM 932 O ARG A 56 7.642 -2.170 -1.312 1.00 0.00 O ATOM 933 CB ARG A 56 9.948 -2.336 1.088 1.00 0.00 C ATOM 934 CG ARG A 56 10.440 -1.241 2.021 1.00 0.00 C ATOM 935 CD ARG A 56 10.888 -0.011 1.249 1.00 0.00 C ATOM 936 NE ARG A 56 11.560 0.960 2.110 1.00 0.00 N ATOM 937 CZ ARG A 56 12.345 1.935 1.655 1.00 0.00 C ATOM 938 NH1 ARG A 56 12.558 2.071 0.352 1.00 0.00 N ATOM 939 NH2 ARG A 56 12.918 2.775 2.506 1.00 0.00 N ATOM 0 H ARG A 56 8.524 -3.621 2.636 1.00 0.00 H new ATOM 0 HA ARG A 56 8.031 -1.368 1.043 1.00 0.00 H new ATOM 0 HB2 ARG A 56 10.299 -3.300 1.455 1.00 0.00 H new ATOM 0 HB3 ARG A 56 10.391 -2.190 0.103 1.00 0.00 H new ATOM 0 HG2 ARG A 56 9.644 -0.967 2.714 1.00 0.00 H new ATOM 0 HG3 ARG A 56 11.269 -1.618 2.620 1.00 0.00 H new ATOM 0 HD2 ARG A 56 11.562 -0.312 0.447 1.00 0.00 H new ATOM 0 HD3 ARG A 56 10.023 0.458 0.780 1.00 0.00 H new ATOM 0 HE ARG A 56 11.420 0.887 3.118 1.00 0.00 H new ATOM 0 HH11 ARG A 56 12.120 1.427 -0.306 1.00 0.00 H new ATOM 0 HH12 ARG A 56 13.160 2.820 0.009 1.00 0.00 H new ATOM 0 HH21 ARG A 56 12.757 2.674 3.508 1.00 0.00 H new ATOM 0 HH22 ARG A 56 13.519 3.522 2.158 1.00 0.00 H new ATOM 953 N ILE A 57 8.166 -4.237 -0.588 1.00 0.00 N ATOM 954 CA ILE A 57 7.829 -4.883 -1.850 1.00 0.00 C ATOM 955 C ILE A 57 6.333 -4.780 -2.129 1.00 0.00 C ATOM 956 O ILE A 57 5.914 -4.597 -3.272 1.00 0.00 O ATOM 957 CB ILE A 57 8.241 -6.369 -1.852 1.00 0.00 C ATOM 958 CG1 ILE A 57 9.701 -6.518 -1.418 1.00 0.00 C ATOM 959 CG2 ILE A 57 8.027 -6.977 -3.231 1.00 0.00 C ATOM 960 CD1 ILE A 57 9.938 -7.692 -0.493 1.00 0.00 C ATOM 0 H ILE A 57 8.496 -4.873 0.137 1.00 0.00 H new ATOM 0 HA ILE A 57 8.382 -4.363 -2.632 1.00 0.00 H new ATOM 0 HB ILE A 57 7.614 -6.905 -1.139 1.00 0.00 H new ATOM 0 HG12 ILE A 57 10.326 -6.632 -2.304 1.00 0.00 H new ATOM 0 HG13 ILE A 57 10.019 -5.602 -0.919 1.00 0.00 H new ATOM 0 HG21 ILE A 57 8.322 -8.026 -3.216 1.00 0.00 H new ATOM 0 HG22 ILE A 57 6.974 -6.900 -3.503 1.00 0.00 H new ATOM 0 HG23 ILE A 57 8.631 -6.440 -3.963 1.00 0.00 H new ATOM 0 HD11 ILE A 57 10.994 -7.737 -0.226 1.00 0.00 H new ATOM 0 HD12 ILE A 57 9.340 -7.570 0.410 1.00 0.00 H new ATOM 0 HD13 ILE A 57 9.651 -8.615 -0.996 1.00 0.00 H new ATOM 972 N GLN A 58 5.532 -4.901 -1.074 1.00 0.00 N ATOM 973 CA GLN A 58 4.083 -4.820 -1.200 1.00 0.00 C ATOM 974 C GLN A 58 3.661 -3.462 -1.752 1.00 0.00 C ATOM 975 O GLN A 58 2.819 -3.378 -2.646 1.00 0.00 O ATOM 976 CB GLN A 58 3.418 -5.066 0.157 1.00 0.00 C ATOM 977 CG GLN A 58 2.548 -6.311 0.192 1.00 0.00 C ATOM 978 CD GLN A 58 2.363 -6.854 1.595 1.00 0.00 C ATOM 979 OE1 GLN A 58 3.318 -6.955 2.366 1.00 0.00 O ATOM 980 NE2 GLN A 58 1.129 -7.209 1.934 1.00 0.00 N ATOM 0 H GLN A 58 5.864 -5.056 -0.122 1.00 0.00 H new ATOM 0 HA GLN A 58 3.758 -5.591 -1.899 1.00 0.00 H new ATOM 0 HB2 GLN A 58 4.191 -5.152 0.921 1.00 0.00 H new ATOM 0 HB3 GLN A 58 2.809 -4.200 0.416 1.00 0.00 H new ATOM 0 HG2 GLN A 58 1.572 -6.080 -0.236 1.00 0.00 H new ATOM 0 HG3 GLN A 58 2.997 -7.081 -0.435 1.00 0.00 H new ATOM 0 HE21 GLN A 58 0.367 -7.108 1.264 1.00 0.00 H new ATOM 0 HE22 GLN A 58 0.943 -7.582 2.865 1.00 0.00 H new ATOM 989 N VAL A 59 4.256 -2.401 -1.216 1.00 0.00 N ATOM 990 CA VAL A 59 3.945 -1.047 -1.658 1.00 0.00 C ATOM 991 C VAL A 59 4.428 -0.816 -3.085 1.00 0.00 C ATOM 992 O VAL A 59 3.798 -0.091 -3.854 1.00 0.00 O ATOM 993 CB VAL A 59 4.581 0.007 -0.730 1.00 0.00 C ATOM 994 CG1 VAL A 59 4.137 1.408 -1.126 1.00 0.00 C ATOM 995 CG2 VAL A 59 4.231 -0.278 0.723 1.00 0.00 C ATOM 0 H VAL A 59 4.956 -2.453 -0.476 1.00 0.00 H new ATOM 0 HA VAL A 59 2.861 -0.939 -1.622 1.00 0.00 H new ATOM 0 HB VAL A 59 5.664 -0.050 -0.838 1.00 0.00 H new ATOM 0 HG11 VAL A 59 4.597 2.137 -0.459 1.00 0.00 H new ATOM 0 HG12 VAL A 59 4.444 1.611 -2.152 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.052 1.481 -1.051 1.00 0.00 H new ATOM 0 HG21 VAL A 59 4.689 0.477 1.362 1.00 0.00 H new ATOM 0 HG22 VAL A 59 3.149 -0.251 0.848 1.00 0.00 H new ATOM 0 HG23 VAL A 59 4.604 -1.264 1.001 1.00 0.00 H new ATOM 1005 N GLU A 60 5.550 -1.440 -3.432 1.00 0.00 N ATOM 1006 CA GLU A 60 6.116 -1.304 -4.768 1.00 0.00 C ATOM 1007 C GLU A 60 5.147 -1.829 -5.822 1.00 0.00 C ATOM 1008 O GLU A 60 4.882 -1.164 -6.823 1.00 0.00 O ATOM 1009 CB GLU A 60 7.444 -2.057 -4.862 1.00 0.00 C ATOM 1010 CG GLU A 60 8.581 -1.383 -4.108 1.00 0.00 C ATOM 1011 CD GLU A 60 9.780 -1.099 -4.991 1.00 0.00 C ATOM 1012 OE1 GLU A 60 10.355 -2.063 -5.540 1.00 0.00 O ATOM 1013 OE2 GLU A 60 10.145 0.087 -5.132 1.00 0.00 O ATOM 0 H GLU A 60 6.084 -2.044 -2.807 1.00 0.00 H new ATOM 0 HA GLU A 60 6.293 -0.245 -4.955 1.00 0.00 H new ATOM 0 HB2 GLU A 60 7.308 -3.066 -4.472 1.00 0.00 H new ATOM 0 HB3 GLU A 60 7.723 -2.155 -5.911 1.00 0.00 H new ATOM 0 HG2 GLU A 60 8.222 -0.448 -3.677 1.00 0.00 H new ATOM 0 HG3 GLU A 60 8.889 -2.019 -3.278 1.00 0.00 H new ATOM 1020 N LYS A 61 4.621 -3.027 -5.588 1.00 0.00 N ATOM 1021 CA LYS A 61 3.678 -3.642 -6.514 1.00 0.00 C ATOM 1022 C LYS A 61 2.316 -2.962 -6.432 1.00 0.00 C ATOM 1023 O LYS A 61 1.622 -2.816 -7.439 1.00 0.00 O ATOM 1024 CB LYS A 61 3.536 -5.136 -6.213 1.00 0.00 C ATOM 1025 CG LYS A 61 4.493 -6.011 -7.006 1.00 0.00 C ATOM 1026 CD LYS A 61 5.935 -5.793 -6.575 1.00 0.00 C ATOM 1027 CE LYS A 61 6.681 -7.111 -6.437 1.00 0.00 C ATOM 1028 NZ LYS A 61 6.017 -8.026 -5.469 1.00 0.00 N ATOM 0 H LYS A 61 4.832 -3.591 -4.765 1.00 0.00 H new ATOM 0 HA LYS A 61 4.065 -3.519 -7.525 1.00 0.00 H new ATOM 0 HB2 LYS A 61 3.704 -5.301 -5.149 1.00 0.00 H new ATOM 0 HB3 LYS A 61 2.513 -5.445 -6.426 1.00 0.00 H new ATOM 0 HG2 LYS A 61 4.226 -7.059 -6.871 1.00 0.00 H new ATOM 0 HG3 LYS A 61 4.393 -5.791 -8.069 1.00 0.00 H new ATOM 0 HD2 LYS A 61 6.442 -5.161 -7.304 1.00 0.00 H new ATOM 0 HD3 LYS A 61 5.955 -5.261 -5.624 1.00 0.00 H new ATOM 0 HE2 LYS A 61 6.744 -7.596 -7.411 1.00 0.00 H new ATOM 0 HE3 LYS A 61 7.703 -6.917 -6.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 6.739 -8.573 -4.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 5.460 -7.469 -4.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 5.388 -8.677 -5.982 1.00 0.00 H new ATOM 1042 N VAL A 62 1.939 -2.548 -5.227 1.00 0.00 N ATOM 1043 CA VAL A 62 0.661 -1.881 -5.014 1.00 0.00 C ATOM 1044 C VAL A 62 0.663 -0.489 -5.639 1.00 0.00 C ATOM 1045 O VAL A 62 -0.371 -0.001 -6.091 1.00 0.00 O ATOM 1046 CB VAL A 62 0.320 -1.783 -3.511 1.00 0.00 C ATOM 1047 CG1 VAL A 62 -0.761 -0.741 -3.257 1.00 0.00 C ATOM 1048 CG2 VAL A 62 -0.113 -3.144 -2.983 1.00 0.00 C ATOM 0 H VAL A 62 2.501 -2.663 -4.383 1.00 0.00 H new ATOM 0 HA VAL A 62 -0.105 -2.485 -5.500 1.00 0.00 H new ATOM 0 HB VAL A 62 1.217 -1.467 -2.978 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -0.979 -0.696 -2.190 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -0.414 0.234 -3.598 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -1.665 -1.015 -3.801 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -0.351 -3.064 -1.922 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -0.994 -3.482 -3.528 1.00 0.00 H new ATOM 0 HG23 VAL A 62 0.696 -3.862 -3.120 1.00 0.00 H new ATOM 1058 N PHE A 63 1.828 0.147 -5.661 1.00 0.00 N ATOM 1059 CA PHE A 63 1.953 1.479 -6.237 1.00 0.00 C ATOM 1060 C PHE A 63 1.823 1.419 -7.755 1.00 0.00 C ATOM 1061 O PHE A 63 1.181 2.271 -8.369 1.00 0.00 O ATOM 1062 CB PHE A 63 3.296 2.101 -5.850 1.00 0.00 C ATOM 1063 CG PHE A 63 3.373 3.578 -6.111 1.00 0.00 C ATOM 1064 CD1 PHE A 63 2.585 4.464 -5.393 1.00 0.00 C ATOM 1065 CD2 PHE A 63 4.232 4.082 -7.074 1.00 0.00 C ATOM 1066 CE1 PHE A 63 2.654 5.823 -5.630 1.00 0.00 C ATOM 1067 CE2 PHE A 63 4.306 5.440 -7.316 1.00 0.00 C ATOM 1068 CZ PHE A 63 3.515 6.312 -6.594 1.00 0.00 C ATOM 0 H PHE A 63 2.696 -0.237 -5.288 1.00 0.00 H new ATOM 0 HA PHE A 63 1.150 2.101 -5.842 1.00 0.00 H new ATOM 0 HB2 PHE A 63 3.480 1.918 -4.791 1.00 0.00 H new ATOM 0 HB3 PHE A 63 4.091 1.601 -6.403 1.00 0.00 H new ATOM 0 HD1 PHE A 63 1.909 4.087 -4.639 1.00 0.00 H new ATOM 0 HD2 PHE A 63 4.852 3.405 -7.643 1.00 0.00 H new ATOM 0 HE1 PHE A 63 2.036 6.503 -5.063 1.00 0.00 H new ATOM 0 HE2 PHE A 63 4.981 5.819 -8.069 1.00 0.00 H new ATOM 0 HZ PHE A 63 3.569 7.374 -6.782 1.00 0.00 H new ATOM 1078 N SER A 64 2.440 0.407 -8.354 1.00 0.00 N ATOM 1079 CA SER A 64 2.398 0.227 -9.799 1.00 0.00 C ATOM 1080 C SER A 64 1.038 -0.298 -10.253 1.00 0.00 C ATOM 1081 O SER A 64 0.579 0.012 -11.353 1.00 0.00 O ATOM 1082 CB SER A 64 3.502 -0.732 -10.247 1.00 0.00 C ATOM 1083 OG SER A 64 3.827 -1.652 -9.219 1.00 0.00 O ATOM 0 H SER A 64 2.977 -0.304 -7.858 1.00 0.00 H new ATOM 0 HA SER A 64 2.559 1.201 -10.261 1.00 0.00 H new ATOM 0 HB2 SER A 64 3.179 -1.274 -11.136 1.00 0.00 H new ATOM 0 HB3 SER A 64 4.390 -0.165 -10.526 1.00 0.00 H new ATOM 0 HG SER A 64 4.437 -1.227 -8.580 1.00 0.00 H new ATOM 1089 N ILE A 65 0.403 -1.106 -9.408 1.00 0.00 N ATOM 1090 CA ILE A 65 -0.896 -1.684 -9.735 1.00 0.00 C ATOM 1091 C ILE A 65 -2.022 -0.661 -9.596 1.00 0.00 C ATOM 1092 O ILE A 65 -2.905 -0.586 -10.446 1.00 0.00 O ATOM 1093 CB ILE A 65 -1.202 -2.919 -8.858 1.00 0.00 C ATOM 1094 CG1 ILE A 65 -2.304 -3.765 -9.498 1.00 0.00 C ATOM 1095 CG2 ILE A 65 -1.602 -2.506 -7.449 1.00 0.00 C ATOM 1096 CD1 ILE A 65 -2.540 -5.083 -8.793 1.00 0.00 C ATOM 0 H ILE A 65 0.767 -1.375 -8.494 1.00 0.00 H new ATOM 0 HA ILE A 65 -0.843 -1.999 -10.777 1.00 0.00 H new ATOM 0 HB ILE A 65 -0.294 -3.518 -8.789 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -3.232 -3.194 -9.504 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -2.043 -3.960 -10.538 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -1.811 -3.395 -6.855 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -0.788 -1.946 -6.989 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -2.494 -1.881 -7.492 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -3.334 -5.630 -9.301 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -1.624 -5.674 -8.810 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -2.832 -4.896 -7.760 1.00 0.00 H new ATOM 1108 N ILE A 66 -1.992 0.126 -8.523 1.00 0.00 N ATOM 1109 CA ILE A 66 -3.023 1.135 -8.298 1.00 0.00 C ATOM 1110 C ILE A 66 -3.130 2.084 -9.487 1.00 0.00 C ATOM 1111 O ILE A 66 -4.220 2.531 -9.841 1.00 0.00 O ATOM 1112 CB ILE A 66 -2.752 1.957 -7.023 1.00 0.00 C ATOM 1113 CG1 ILE A 66 -1.376 2.620 -7.095 1.00 0.00 C ATOM 1114 CG2 ILE A 66 -2.863 1.076 -5.787 1.00 0.00 C ATOM 1115 CD1 ILE A 66 -1.049 3.468 -5.885 1.00 0.00 C ATOM 0 H ILE A 66 -1.272 0.085 -7.802 1.00 0.00 H new ATOM 0 HA ILE A 66 -3.963 0.597 -8.175 1.00 0.00 H new ATOM 0 HB ILE A 66 -3.505 2.742 -6.951 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -0.615 1.847 -7.203 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -1.328 3.243 -7.988 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -2.669 1.673 -4.896 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -3.867 0.655 -5.730 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -2.133 0.269 -5.849 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -0.058 3.907 -6.005 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -1.789 4.263 -5.787 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -1.064 2.846 -4.990 1.00 0.00 H new ATOM 1127 N SER A 67 -1.991 2.387 -10.100 1.00 0.00 N ATOM 1128 CA SER A 67 -1.958 3.282 -11.251 1.00 0.00 C ATOM 1129 C SER A 67 -2.473 2.585 -12.506 1.00 0.00 C ATOM 1130 O SER A 67 -3.240 3.160 -13.275 1.00 0.00 O ATOM 1131 CB SER A 67 -0.536 3.794 -11.486 1.00 0.00 C ATOM 1132 OG SER A 67 -0.443 4.498 -12.712 1.00 0.00 O ATOM 0 H SER A 67 -1.079 2.026 -9.819 1.00 0.00 H new ATOM 0 HA SER A 67 -2.612 4.127 -11.036 1.00 0.00 H new ATOM 0 HB2 SER A 67 -0.241 4.447 -10.665 1.00 0.00 H new ATOM 0 HB3 SER A 67 0.160 2.955 -11.491 1.00 0.00 H new ATOM 0 HG SER A 67 0.475 4.816 -12.838 1.00 0.00 H new ATOM 1138 N SER A 68 -2.040 1.347 -12.714 1.00 0.00 N ATOM 1139 CA SER A 68 -2.454 0.579 -13.885 1.00 0.00 C ATOM 1140 C SER A 68 -3.897 0.098 -13.755 1.00 0.00 C ATOM 1141 O SER A 68 -4.704 0.271 -14.669 1.00 0.00 O ATOM 1142 CB SER A 68 -1.524 -0.617 -14.087 1.00 0.00 C ATOM 1143 OG SER A 68 -2.057 -1.525 -15.036 1.00 0.00 O ATOM 0 H SER A 68 -1.403 0.853 -12.089 1.00 0.00 H new ATOM 0 HA SER A 68 -2.393 1.236 -14.753 1.00 0.00 H new ATOM 0 HB2 SER A 68 -0.547 -0.269 -14.422 1.00 0.00 H new ATOM 0 HB3 SER A 68 -1.372 -1.128 -13.136 1.00 0.00 H new ATOM 0 HG SER A 68 -1.442 -2.280 -15.148 1.00 0.00 H new ATOM 1149 N GLU A 69 -4.212 -0.518 -12.621 1.00 0.00 N ATOM 1150 CA GLU A 69 -5.554 -1.039 -12.376 1.00 0.00 C ATOM 1151 C GLU A 69 -6.590 0.081 -12.322 1.00 0.00 C ATOM 1152 O GLU A 69 -7.637 -0.002 -12.964 1.00 0.00 O ATOM 1153 CB GLU A 69 -5.584 -1.836 -11.070 1.00 0.00 C ATOM 1154 CG GLU A 69 -5.089 -3.266 -11.221 1.00 0.00 C ATOM 1155 CD GLU A 69 -5.472 -4.142 -10.044 1.00 0.00 C ATOM 1156 OE1 GLU A 69 -5.460 -3.638 -8.901 1.00 0.00 O ATOM 1157 OE2 GLU A 69 -5.784 -5.330 -10.266 1.00 0.00 O ATOM 0 H GLU A 69 -3.556 -0.670 -11.855 1.00 0.00 H new ATOM 0 HA GLU A 69 -5.809 -1.696 -13.208 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -4.972 -1.324 -10.327 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -6.604 -1.852 -10.686 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -5.498 -3.694 -12.136 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -4.004 -3.262 -11.329 1.00 0.00 H new ATOM 1164 N LYS A 70 -6.302 1.121 -11.545 1.00 0.00 N ATOM 1165 CA LYS A 70 -7.222 2.246 -11.403 1.00 0.00 C ATOM 1166 C LYS A 70 -7.061 3.247 -12.545 1.00 0.00 C ATOM 1167 O LYS A 70 -8.037 3.623 -13.194 1.00 0.00 O ATOM 1168 CB LYS A 70 -7.004 2.947 -10.061 1.00 0.00 C ATOM 1169 CG LYS A 70 -6.790 1.989 -8.900 1.00 0.00 C ATOM 1170 CD LYS A 70 -8.018 1.124 -8.653 1.00 0.00 C ATOM 1171 CE LYS A 70 -8.747 1.532 -7.382 1.00 0.00 C ATOM 1172 NZ LYS A 70 -10.115 2.048 -7.669 1.00 0.00 N ATOM 0 H LYS A 70 -5.441 1.209 -11.005 1.00 0.00 H new ATOM 0 HA LYS A 70 -8.237 1.849 -11.440 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -6.139 3.606 -10.141 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -7.867 3.578 -9.846 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -5.931 1.351 -9.108 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -6.556 2.555 -7.999 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -8.696 1.203 -9.503 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -7.718 0.079 -8.581 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -8.815 0.675 -6.711 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -8.171 2.298 -6.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -10.579 2.315 -6.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -10.049 2.881 -8.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -10.673 1.308 -8.142 1.00 0.00 H new ATOM 1186 N GLU A 71 -5.826 3.679 -12.784 1.00 0.00 N ATOM 1187 CA GLU A 71 -5.542 4.641 -13.846 1.00 0.00 C ATOM 1188 C GLU A 71 -6.174 5.995 -13.537 1.00 0.00 C ATOM 1189 O GLU A 71 -7.382 6.094 -13.321 1.00 0.00 O ATOM 1190 CB GLU A 71 -6.051 4.118 -15.193 1.00 0.00 C ATOM 1191 CG GLU A 71 -4.955 3.545 -16.076 1.00 0.00 C ATOM 1192 CD GLU A 71 -5.442 2.397 -16.940 1.00 0.00 C ATOM 1193 OE1 GLU A 71 -6.669 2.280 -17.134 1.00 0.00 O ATOM 1194 OE2 GLU A 71 -4.594 1.615 -17.420 1.00 0.00 O ATOM 0 H GLU A 71 -5.006 3.379 -12.257 1.00 0.00 H new ATOM 0 HA GLU A 71 -4.461 4.770 -13.904 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -6.802 3.348 -15.014 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -6.547 4.930 -15.725 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -4.559 4.334 -16.716 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -4.132 3.200 -15.450 1.00 0.00 H new ATOM 1201 N LEU A 72 -5.346 7.034 -13.516 1.00 0.00 N ATOM 1202 CA LEU A 72 -5.819 8.384 -13.232 1.00 0.00 C ATOM 1203 C LEU A 72 -6.755 8.875 -14.331 1.00 0.00 C ATOM 1204 O LEU A 72 -7.911 9.210 -14.071 1.00 0.00 O ATOM 1205 CB LEU A 72 -4.634 9.341 -13.090 1.00 0.00 C ATOM 1206 CG LEU A 72 -3.838 9.201 -11.791 1.00 0.00 C ATOM 1207 CD1 LEU A 72 -4.691 9.605 -10.598 1.00 0.00 C ATOM 1208 CD2 LEU A 72 -3.329 7.777 -11.628 1.00 0.00 C ATOM 0 H LEU A 72 -4.344 6.967 -13.692 1.00 0.00 H new ATOM 0 HA LEU A 72 -6.373 8.359 -12.293 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -3.958 9.185 -13.931 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -5.003 10.364 -13.163 1.00 0.00 H new ATOM 0 HG LEU A 72 -2.978 9.869 -11.840 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -4.109 9.499 -9.682 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -5.006 10.643 -10.710 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -5.570 8.963 -10.545 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -2.765 7.696 -10.699 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -4.174 7.089 -11.600 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -2.682 7.523 -12.468 1.00 0.00 H new ATOM 1220 N LYS A 73 -6.248 8.919 -15.559 1.00 0.00 N ATOM 1221 CA LYS A 73 -7.040 9.371 -16.696 1.00 0.00 C ATOM 1222 C LYS A 73 -6.739 8.536 -17.937 1.00 0.00 C ATOM 1223 O LYS A 73 -7.574 7.751 -18.387 1.00 0.00 O ATOM 1224 CB LYS A 73 -6.763 10.850 -16.980 1.00 0.00 C ATOM 1225 CG LYS A 73 -8.023 11.686 -17.133 1.00 0.00 C ATOM 1226 CD LYS A 73 -7.902 12.675 -18.280 1.00 0.00 C ATOM 1227 CE LYS A 73 -8.486 12.110 -19.566 1.00 0.00 C ATOM 1228 NZ LYS A 73 -7.522 11.220 -20.270 1.00 0.00 N ATOM 0 H LYS A 73 -5.293 8.647 -15.791 1.00 0.00 H new ATOM 0 HA LYS A 73 -8.094 9.247 -16.446 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -6.161 11.260 -16.170 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -6.170 10.932 -17.891 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -8.877 11.030 -17.306 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -8.217 12.225 -16.206 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -8.417 13.600 -18.020 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -6.853 12.927 -18.435 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -9.395 11.553 -19.338 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -8.772 12.929 -20.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -7.780 11.156 -21.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -6.562 11.610 -20.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -7.550 10.272 -19.844 1.00 0.00 H new ATOM 1242 N ASN A 74 -5.540 8.710 -18.485 1.00 0.00 N ATOM 1243 CA ASN A 74 -5.129 7.971 -19.673 1.00 0.00 C ATOM 1244 C ASN A 74 -4.216 6.807 -19.301 1.00 0.00 C ATOM 1245 O ASN A 74 -4.725 5.674 -19.178 1.00 0.00 O ATOM 1246 CB ASN A 74 -4.415 8.901 -20.655 1.00 0.00 C ATOM 1247 CG ASN A 74 -4.669 8.521 -22.100 1.00 0.00 C ATOM 1248 OD1 ASN A 74 -5.669 8.926 -22.694 1.00 0.00 O ATOM 1249 ND2 ASN A 74 -3.763 7.738 -22.674 1.00 0.00 N ATOM 1250 OXT ASN A 74 -2.999 7.039 -19.139 1.00 0.00 O ATOM 0 H ASN A 74 -4.837 9.356 -18.125 1.00 0.00 H new ATOM 0 HA ASN A 74 -6.024 7.569 -20.149 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -4.747 9.926 -20.488 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -3.343 8.878 -20.459 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -3.881 7.449 -23.645 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -2.949 7.426 -22.144 1.00 0.00 H new TER 1257 ASN A 74