USER MOD reduce.3.24.130724 H: found=0, std=0, add=759, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 747 hydrogens (32 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 18 HIS HE2 : A 18 HIS NE2 : A 101 HECFE :(H bumps) USER MOD NoAdj-H: A 101 HEC HAC : A 101 HEC CAC : A 17 CYS SG :(H bumps) USER MOD NoAdj-H: A 101 HEC HAB : A 101 HEC CAB : A 14 CYS SG :(H bumps) USER MOD Set 1.1: A 46 TYR OH : rot 150:sc= -0.0239 USER MOD Set 1.2: A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.3: A 76 THR OG1 : rot 28:sc= 1.26 USER MOD Set 1.4: A 101 HEC O2A : rot -66:sc= 0.986 USER MOD Set 2.1: A 95 TYR OH : rot -7:sc= 1.29 USER MOD Set 2.2: A 99 GLN : amide:sc= 1.38 K(o=2.7,f=-3.1) USER MOD Set 3.1: A 45 ASN : amide:sc= 0.508 K(o=1.1,f=-0.85) USER MOD Set 3.2: A 51 LYS NZ :NH3+ -164:sc= 0.556 (180deg=0) USER MOD Set 4.1: A 29 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Set 4.2: A 31 ASN : amide:sc= 0 X(o=0,f=-0.045) USER MOD Single : A 1 MET CE :methyl -176:sc= 0 (180deg=-0.0195) USER MOD Single : A 1 MET N :NH3+ 173:sc= 0 (180deg=-0.0889) USER MOD Single : A 9 LYS NZ :NH3+ -128:sc= 0 (180deg=-0.353) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 THR OG1 : rot 79:sc= 1.29 USER MOD Single : A 47 SER OG : rot 138:sc= 1.09 USER MOD Single : A 53 HIS : no HD1:sc= -0.256 X(o=-0.26,f=-0.24) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.0477 USER MOD Single : A 63 GLN : amide:sc= 0.0463 K(o=0.046,f=-1.5) USER MOD Single : A 67 THR OG1 : rot -67:sc= 0.924 USER MOD Single : A 68 ASN : amide:sc= 0.281 X(o=0.28,f=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 155:sc= 0.551 (180deg=0.261) USER MOD Single : A 77 LYS NZ :NH3+ -136:sc= -0.0053 (180deg=-0.0629) USER MOD Single : A 78 MET CE :methyl -169:sc=-0.00272 (180deg=-0.0445) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 ASN : amide:sc= -0.97 X(o=-0.97,f=-0.48) USER MOD Single : A 100 GLN : amide:sc= 0.825 K(o=0.83,f=-0.25) USER MOD Single : A 101 HEC O2D : rot 148:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.461 -3.228 0.161 1.00 0.00 N ATOM 2 CA MET A 1 3.181 -2.299 -0.962 1.00 0.00 C ATOM 3 C MET A 1 3.769 -2.878 -2.282 1.00 0.00 C ATOM 4 O MET A 1 4.975 -2.788 -2.540 1.00 0.00 O ATOM 5 CB MET A 1 3.716 -0.877 -0.652 1.00 0.00 C ATOM 6 CG MET A 1 3.013 -0.117 0.493 1.00 0.00 C ATOM 7 SD MET A 1 1.243 0.088 0.176 1.00 0.00 S ATOM 8 CE MET A 1 1.239 1.367 -1.096 1.00 0.00 C ATOM 0 H1 MET A 1 3.173 -2.786 1.057 1.00 0.00 H new ATOM 0 H2 MET A 1 2.928 -4.110 0.023 1.00 0.00 H new ATOM 0 H3 MET A 1 4.479 -3.440 0.191 1.00 0.00 H new ATOM 0 HA MET A 1 2.103 -2.203 -1.091 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.776 -0.955 -0.411 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.639 -0.277 -1.559 1.00 0.00 H new ATOM 0 HG2 MET A 1 3.154 -0.658 1.429 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.476 0.862 0.617 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.211 1.641 -1.333 1.00 0.00 H new ATOM 0 HE2 MET A 1 1.774 2.244 -0.732 1.00 0.00 H new ATOM 0 HE3 MET A 1 1.730 0.990 -1.993 1.00 0.00 H new ATOM 19 N ALA A 2 2.912 -3.465 -3.137 1.00 0.00 N ATOM 20 CA ALA A 2 3.361 -4.141 -4.383 1.00 0.00 C ATOM 21 C ALA A 2 3.549 -3.186 -5.610 1.00 0.00 C ATOM 22 O ALA A 2 2.823 -3.273 -6.605 1.00 0.00 O ATOM 23 CB ALA A 2 2.359 -5.290 -4.617 1.00 0.00 C ATOM 0 H ALA A 2 1.902 -3.489 -2.994 1.00 0.00 H new ATOM 0 HA ALA A 2 4.373 -4.530 -4.265 1.00 0.00 H new ATOM 0 HB1 ALA A 2 2.632 -5.832 -5.523 1.00 0.00 H new ATOM 0 HB2 ALA A 2 2.381 -5.971 -3.766 1.00 0.00 H new ATOM 0 HB3 ALA A 2 1.355 -4.880 -4.728 1.00 0.00 H new ATOM 29 N ASP A 3 4.561 -2.296 -5.552 1.00 0.00 N ATOM 30 CA ASP A 3 4.858 -1.338 -6.661 1.00 0.00 C ATOM 31 C ASP A 3 6.367 -1.493 -7.066 1.00 0.00 C ATOM 32 O ASP A 3 7.214 -0.791 -6.496 1.00 0.00 O ATOM 33 CB ASP A 3 4.478 0.134 -6.325 1.00 0.00 C ATOM 34 CG ASP A 3 3.101 0.386 -5.707 1.00 0.00 C ATOM 35 OD1 ASP A 3 3.134 0.334 -4.340 1.00 0.00 O ATOM 36 OD2 ASP A 3 2.095 0.613 -6.372 1.00 0.00 O ATOM 0 H ASP A 3 5.191 -2.213 -4.754 1.00 0.00 H new ATOM 0 HA ASP A 3 4.226 -1.589 -7.513 1.00 0.00 H new ATOM 0 HB2 ASP A 3 5.230 0.528 -5.641 1.00 0.00 H new ATOM 0 HB3 ASP A 3 4.546 0.717 -7.244 1.00 0.00 H new ATOM 41 N PRO A 4 6.772 -2.381 -8.023 1.00 0.00 N ATOM 42 CA PRO A 4 8.211 -2.653 -8.304 1.00 0.00 C ATOM 43 C PRO A 4 8.990 -1.575 -9.129 1.00 0.00 C ATOM 44 O PRO A 4 10.192 -1.422 -8.921 1.00 0.00 O ATOM 45 CB PRO A 4 8.138 -4.045 -8.957 1.00 0.00 C ATOM 46 CG PRO A 4 6.782 -4.090 -9.667 1.00 0.00 C ATOM 47 CD PRO A 4 5.853 -3.259 -8.778 1.00 0.00 C ATOM 0 HA PRO A 4 8.820 -2.614 -7.401 1.00 0.00 H new ATOM 0 HB2 PRO A 4 8.956 -4.192 -9.662 1.00 0.00 H new ATOM 0 HB3 PRO A 4 8.217 -4.834 -8.209 1.00 0.00 H new ATOM 0 HG2 PRO A 4 6.847 -3.673 -10.672 1.00 0.00 H new ATOM 0 HG3 PRO A 4 6.422 -5.114 -9.769 1.00 0.00 H new ATOM 0 HD2 PRO A 4 5.145 -2.680 -9.371 1.00 0.00 H new ATOM 0 HD3 PRO A 4 5.267 -3.892 -8.111 1.00 0.00 H new ATOM 55 N ALA A 5 8.328 -0.792 -10.003 1.00 0.00 N ATOM 56 CA ALA A 5 8.930 0.427 -10.618 1.00 0.00 C ATOM 57 C ALA A 5 9.249 1.603 -9.630 1.00 0.00 C ATOM 58 O ALA A 5 10.322 2.205 -9.723 1.00 0.00 O ATOM 59 CB ALA A 5 7.997 0.860 -11.764 1.00 0.00 C ATOM 0 H ALA A 5 7.371 -0.976 -10.306 1.00 0.00 H new ATOM 0 HA ALA A 5 9.922 0.164 -10.985 1.00 0.00 H new ATOM 0 HB1 ALA A 5 8.400 1.752 -12.244 1.00 0.00 H new ATOM 0 HB2 ALA A 5 7.923 0.056 -12.496 1.00 0.00 H new ATOM 0 HB3 ALA A 5 7.007 1.079 -11.364 1.00 0.00 H new ATOM 65 N ALA A 6 8.370 1.878 -8.644 1.00 0.00 N ATOM 66 CA ALA A 6 8.719 2.724 -7.466 1.00 0.00 C ATOM 67 C ALA A 6 9.869 2.174 -6.551 1.00 0.00 C ATOM 68 O ALA A 6 10.742 2.942 -6.140 1.00 0.00 O ATOM 69 CB ALA A 6 7.416 2.958 -6.679 1.00 0.00 C ATOM 0 H ALA A 6 7.411 1.530 -8.633 1.00 0.00 H new ATOM 0 HA ALA A 6 9.142 3.657 -7.837 1.00 0.00 H new ATOM 0 HB1 ALA A 6 7.625 3.575 -5.805 1.00 0.00 H new ATOM 0 HB2 ALA A 6 6.692 3.465 -7.317 1.00 0.00 H new ATOM 0 HB3 ALA A 6 7.008 2.000 -6.358 1.00 0.00 H new ATOM 75 N GLY A 7 9.915 0.852 -6.299 1.00 0.00 N ATOM 76 CA GLY A 7 11.113 0.186 -5.715 1.00 0.00 C ATOM 77 C GLY A 7 12.436 0.190 -6.519 1.00 0.00 C ATOM 78 O GLY A 7 13.505 0.170 -5.912 1.00 0.00 O ATOM 0 H GLY A 7 9.140 0.217 -6.488 1.00 0.00 H new ATOM 0 HA2 GLY A 7 11.312 0.652 -4.750 1.00 0.00 H new ATOM 0 HA3 GLY A 7 10.850 -0.853 -5.518 1.00 0.00 H new ATOM 82 N GLU A 8 12.371 0.249 -7.857 1.00 0.00 N ATOM 83 CA GLU A 8 13.546 0.532 -8.732 1.00 0.00 C ATOM 84 C GLU A 8 14.113 1.991 -8.617 1.00 0.00 C ATOM 85 O GLU A 8 15.332 2.173 -8.621 1.00 0.00 O ATOM 86 CB GLU A 8 13.151 0.154 -10.186 1.00 0.00 C ATOM 87 CG GLU A 8 14.348 0.004 -11.158 1.00 0.00 C ATOM 88 CD GLU A 8 13.955 -0.572 -12.517 1.00 0.00 C ATOM 89 OE1 GLU A 8 13.890 -1.774 -12.757 1.00 0.00 O ATOM 90 OE2 GLU A 8 13.680 0.399 -13.432 1.00 0.00 O ATOM 0 H GLU A 8 11.505 0.103 -8.376 1.00 0.00 H new ATOM 0 HA GLU A 8 14.383 -0.079 -8.392 1.00 0.00 H new ATOM 0 HB2 GLU A 8 12.596 -0.784 -10.166 1.00 0.00 H new ATOM 0 HB3 GLU A 8 12.476 0.916 -10.576 1.00 0.00 H new ATOM 0 HG2 GLU A 8 14.812 0.979 -11.305 1.00 0.00 H new ATOM 0 HG3 GLU A 8 15.099 -0.641 -10.701 1.00 0.00 H new ATOM 97 N LYS A 9 13.245 3.010 -8.458 1.00 0.00 N ATOM 98 CA LYS A 9 13.652 4.388 -8.040 1.00 0.00 C ATOM 99 C LYS A 9 14.316 4.449 -6.621 1.00 0.00 C ATOM 100 O LYS A 9 15.377 5.053 -6.454 1.00 0.00 O ATOM 101 CB LYS A 9 12.411 5.325 -8.096 1.00 0.00 C ATOM 102 CG LYS A 9 11.654 5.420 -9.444 1.00 0.00 C ATOM 103 CD LYS A 9 11.963 6.652 -10.326 1.00 0.00 C ATOM 104 CE LYS A 9 13.341 6.671 -11.019 1.00 0.00 C ATOM 105 NZ LYS A 9 14.406 7.193 -10.137 1.00 0.00 N ATOM 0 H LYS A 9 12.242 2.912 -8.613 1.00 0.00 H new ATOM 0 HA LYS A 9 14.419 4.720 -8.740 1.00 0.00 H new ATOM 0 HB2 LYS A 9 11.704 4.995 -7.335 1.00 0.00 H new ATOM 0 HB3 LYS A 9 12.733 6.329 -7.818 1.00 0.00 H new ATOM 0 HG2 LYS A 9 11.874 4.523 -10.023 1.00 0.00 H new ATOM 0 HG3 LYS A 9 10.584 5.410 -9.235 1.00 0.00 H new ATOM 0 HD2 LYS A 9 11.193 6.724 -11.094 1.00 0.00 H new ATOM 0 HD3 LYS A 9 11.880 7.545 -9.707 1.00 0.00 H new ATOM 0 HE2 LYS A 9 13.599 5.661 -11.337 1.00 0.00 H new ATOM 0 HE3 LYS A 9 13.284 7.284 -11.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 14.922 7.952 -10.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 13.981 7.570 -9.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 15.065 6.425 -9.897 1.00 0.00 H new ATOM 118 N VAL A 10 13.718 3.759 -5.629 1.00 0.00 N ATOM 119 CA VAL A 10 14.372 3.477 -4.306 1.00 0.00 C ATOM 120 C VAL A 10 15.729 2.679 -4.414 1.00 0.00 C ATOM 121 O VAL A 10 16.707 3.065 -3.766 1.00 0.00 O ATOM 122 CB VAL A 10 13.351 2.838 -3.297 1.00 0.00 C ATOM 123 CG1 VAL A 10 13.957 2.577 -1.899 1.00 0.00 C ATOM 124 CG2 VAL A 10 12.082 3.691 -3.048 1.00 0.00 C ATOM 0 H VAL A 10 12.775 3.378 -5.707 1.00 0.00 H new ATOM 0 HA VAL A 10 14.672 4.442 -3.897 1.00 0.00 H new ATOM 0 HB VAL A 10 13.088 1.906 -3.797 1.00 0.00 H new ATOM 0 HG11 VAL A 10 13.200 2.135 -1.251 1.00 0.00 H new ATOM 0 HG12 VAL A 10 14.801 1.893 -1.990 1.00 0.00 H new ATOM 0 HG13 VAL A 10 14.298 3.519 -1.469 1.00 0.00 H new ATOM 0 HG21 VAL A 10 11.431 3.177 -2.340 1.00 0.00 H new ATOM 0 HG22 VAL A 10 12.369 4.660 -2.640 1.00 0.00 H new ATOM 0 HG23 VAL A 10 11.551 3.837 -3.989 1.00 0.00 H new ATOM 134 N PHE A 11 15.832 1.627 -5.255 1.00 0.00 N ATOM 135 CA PHE A 11 17.140 1.011 -5.631 1.00 0.00 C ATOM 136 C PHE A 11 18.204 1.955 -6.290 1.00 0.00 C ATOM 137 O PHE A 11 19.396 1.673 -6.159 1.00 0.00 O ATOM 138 CB PHE A 11 16.880 -0.260 -6.487 1.00 0.00 C ATOM 139 CG PHE A 11 18.092 -1.207 -6.596 1.00 0.00 C ATOM 140 CD1 PHE A 11 18.411 -2.046 -5.524 1.00 0.00 C ATOM 141 CD2 PHE A 11 18.916 -1.198 -7.728 1.00 0.00 C ATOM 142 CE1 PHE A 11 19.533 -2.866 -5.581 1.00 0.00 C ATOM 143 CE2 PHE A 11 20.044 -2.017 -7.780 1.00 0.00 C ATOM 144 CZ PHE A 11 20.355 -2.844 -6.704 1.00 0.00 C ATOM 0 H PHE A 11 15.026 1.180 -5.692 1.00 0.00 H new ATOM 0 HA PHE A 11 17.618 0.753 -4.686 1.00 0.00 H new ATOM 0 HB2 PHE A 11 16.042 -0.809 -6.057 1.00 0.00 H new ATOM 0 HB3 PHE A 11 16.581 0.046 -7.489 1.00 0.00 H new ATOM 0 HD1 PHE A 11 17.782 -2.057 -4.646 1.00 0.00 H new ATOM 0 HD2 PHE A 11 18.678 -0.556 -8.563 1.00 0.00 H new ATOM 0 HE1 PHE A 11 19.766 -3.520 -4.754 1.00 0.00 H new ATOM 0 HE2 PHE A 11 20.676 -2.010 -8.655 1.00 0.00 H new ATOM 0 HZ PHE A 11 21.235 -3.469 -6.741 1.00 0.00 H new ATOM 154 N GLY A 12 17.830 3.087 -6.914 1.00 0.00 N ATOM 155 CA GLY A 12 18.799 4.164 -7.257 1.00 0.00 C ATOM 156 C GLY A 12 19.669 4.794 -6.129 1.00 0.00 C ATOM 157 O GLY A 12 20.792 5.220 -6.401 1.00 0.00 O ATOM 0 H GLY A 12 16.870 3.287 -7.193 1.00 0.00 H new ATOM 0 HA2 GLY A 12 19.478 3.766 -8.011 1.00 0.00 H new ATOM 0 HA3 GLY A 12 18.238 4.971 -7.728 1.00 0.00 H new ATOM 161 N LYS A 13 19.188 4.798 -4.873 1.00 0.00 N ATOM 162 CA LYS A 13 20.054 4.999 -3.668 1.00 0.00 C ATOM 163 C LYS A 13 21.065 3.826 -3.386 1.00 0.00 C ATOM 164 O LYS A 13 22.214 4.077 -3.015 1.00 0.00 O ATOM 165 CB LYS A 13 19.188 5.252 -2.397 1.00 0.00 C ATOM 166 CG LYS A 13 18.252 6.489 -2.363 1.00 0.00 C ATOM 167 CD LYS A 13 16.818 6.204 -2.866 1.00 0.00 C ATOM 168 CE LYS A 13 15.834 7.381 -2.756 1.00 0.00 C ATOM 169 NZ LYS A 13 15.412 7.622 -1.359 1.00 0.00 N ATOM 0 H LYS A 13 18.201 4.665 -4.652 1.00 0.00 H new ATOM 0 HA LYS A 13 20.656 5.877 -3.901 1.00 0.00 H new ATOM 0 HB2 LYS A 13 18.572 4.367 -2.237 1.00 0.00 H new ATOM 0 HB3 LYS A 13 19.865 5.327 -1.546 1.00 0.00 H new ATOM 0 HG2 LYS A 13 18.200 6.865 -1.341 1.00 0.00 H new ATOM 0 HG3 LYS A 13 18.689 7.280 -2.972 1.00 0.00 H new ATOM 0 HD2 LYS A 13 16.872 5.894 -3.910 1.00 0.00 H new ATOM 0 HD3 LYS A 13 16.415 5.362 -2.304 1.00 0.00 H new ATOM 0 HE2 LYS A 13 16.301 8.282 -3.154 1.00 0.00 H new ATOM 0 HE3 LYS A 13 14.956 7.178 -3.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 14.750 8.423 -1.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 14.944 6.772 -0.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 16.246 7.841 -0.777 1.00 0.00 H new ATOM 182 N CYS A 14 20.632 2.561 -3.540 1.00 0.00 N ATOM 183 CA CYS A 14 21.497 1.362 -3.399 1.00 0.00 C ATOM 184 C CYS A 14 22.535 1.106 -4.550 1.00 0.00 C ATOM 185 O CYS A 14 23.638 0.631 -4.267 1.00 0.00 O ATOM 186 CB CYS A 14 20.562 0.134 -3.241 1.00 0.00 C ATOM 187 SG CYS A 14 18.976 0.461 -2.414 1.00 0.00 S ATOM 0 H CYS A 14 19.664 2.334 -3.768 1.00 0.00 H new ATOM 0 HA CYS A 14 22.127 1.539 -2.527 1.00 0.00 H new ATOM 0 HB2 CYS A 14 20.359 -0.276 -4.230 1.00 0.00 H new ATOM 0 HB3 CYS A 14 21.093 -0.635 -2.680 1.00 0.00 H new ATOM 192 N LYS A 15 22.183 1.372 -5.828 1.00 0.00 N ATOM 193 CA LYS A 15 22.926 0.860 -7.024 1.00 0.00 C ATOM 194 C LYS A 15 24.428 1.246 -7.233 1.00 0.00 C ATOM 195 O LYS A 15 25.178 0.466 -7.824 1.00 0.00 O ATOM 196 CB LYS A 15 22.070 1.093 -8.300 1.00 0.00 C ATOM 197 CG LYS A 15 22.016 2.532 -8.869 1.00 0.00 C ATOM 198 CD LYS A 15 21.075 2.640 -10.085 1.00 0.00 C ATOM 199 CE LYS A 15 21.005 4.074 -10.634 1.00 0.00 C ATOM 200 NZ LYS A 15 20.059 4.138 -11.763 1.00 0.00 N ATOM 0 H LYS A 15 21.376 1.947 -6.070 1.00 0.00 H new ATOM 0 HA LYS A 15 23.051 -0.199 -6.800 1.00 0.00 H new ATOM 0 HB2 LYS A 15 22.447 0.435 -9.083 1.00 0.00 H new ATOM 0 HB3 LYS A 15 21.049 0.778 -8.083 1.00 0.00 H new ATOM 0 HG2 LYS A 15 21.681 3.217 -8.090 1.00 0.00 H new ATOM 0 HG3 LYS A 15 23.019 2.845 -9.159 1.00 0.00 H new ATOM 0 HD2 LYS A 15 21.419 1.968 -10.871 1.00 0.00 H new ATOM 0 HD3 LYS A 15 20.075 2.312 -9.800 1.00 0.00 H new ATOM 0 HE2 LYS A 15 20.690 4.758 -9.846 1.00 0.00 H new ATOM 0 HE3 LYS A 15 21.994 4.396 -10.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 20.019 5.111 -12.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 20.377 3.498 -12.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 19.113 3.850 -11.440 1.00 0.00 H new ATOM 213 N ALA A 16 24.873 2.417 -6.741 1.00 0.00 N ATOM 214 CA ALA A 16 26.323 2.747 -6.645 1.00 0.00 C ATOM 215 C ALA A 16 27.177 1.832 -5.701 1.00 0.00 C ATOM 216 O ALA A 16 28.331 1.531 -6.017 1.00 0.00 O ATOM 217 CB ALA A 16 26.410 4.232 -6.240 1.00 0.00 C ATOM 0 H ALA A 16 24.257 3.155 -6.402 1.00 0.00 H new ATOM 0 HA ALA A 16 26.775 2.555 -7.618 1.00 0.00 H new ATOM 0 HB1 ALA A 16 27.456 4.525 -6.156 1.00 0.00 H new ATOM 0 HB2 ALA A 16 25.921 4.845 -6.997 1.00 0.00 H new ATOM 0 HB3 ALA A 16 25.914 4.377 -5.280 1.00 0.00 H new ATOM 223 N CYS A 17 26.606 1.381 -4.568 1.00 0.00 N ATOM 224 CA CYS A 17 27.215 0.332 -3.719 1.00 0.00 C ATOM 225 C CYS A 17 26.869 -1.147 -4.109 1.00 0.00 C ATOM 226 O CYS A 17 27.770 -1.987 -4.078 1.00 0.00 O ATOM 227 CB CYS A 17 26.805 0.634 -2.266 1.00 0.00 C ATOM 228 SG CYS A 17 27.237 2.324 -1.752 1.00 0.00 S ATOM 0 H CYS A 17 25.715 1.729 -4.214 1.00 0.00 H new ATOM 0 HA CYS A 17 28.294 0.378 -3.865 1.00 0.00 H new ATOM 0 HB2 CYS A 17 25.730 0.490 -2.159 1.00 0.00 H new ATOM 0 HB3 CYS A 17 27.291 -0.079 -1.600 1.00 0.00 H new ATOM 233 N HIS A 18 25.600 -1.481 -4.409 1.00 0.00 N ATOM 234 CA HIS A 18 25.145 -2.887 -4.626 1.00 0.00 C ATOM 235 C HIS A 18 24.710 -3.133 -6.102 1.00 0.00 C ATOM 236 O HIS A 18 23.887 -2.390 -6.642 1.00 0.00 O ATOM 237 CB HIS A 18 23.927 -3.171 -3.713 1.00 0.00 C ATOM 238 CG HIS A 18 24.200 -3.259 -2.217 1.00 0.00 C ATOM 239 ND1 HIS A 18 24.568 -4.426 -1.599 1.00 0.00 N ATOM 240 CD2 HIS A 18 23.880 -2.291 -1.261 1.00 0.00 C ATOM 241 CE1 HIS A 18 24.384 -4.096 -0.294 1.00 0.00 C ATOM 242 NE2 HIS A 18 23.956 -2.814 0.037 1.00 0.00 N ATOM 0 H HIS A 18 24.854 -0.792 -4.510 1.00 0.00 H new ATOM 0 HA HIS A 18 25.981 -3.546 -4.393 1.00 0.00 H new ATOM 0 HB2 HIS A 18 23.188 -2.388 -3.879 1.00 0.00 H new ATOM 0 HB3 HIS A 18 23.474 -4.110 -4.032 1.00 0.00 H new ATOM 0 HD1 HIS A 18 24.892 -5.303 -2.007 1.00 0.00 H new ATOM 0 HD2 HIS A 18 23.609 -1.272 -1.493 1.00 0.00 H new ATOM 0 HE1 HIS A 18 24.569 -4.824 0.482 1.00 0.00 H new ATOM 250 N LYS A 19 25.188 -4.218 -6.736 1.00 0.00 N ATOM 251 CA LYS A 19 24.822 -4.527 -8.156 1.00 0.00 C ATOM 252 C LYS A 19 23.604 -5.492 -8.339 1.00 0.00 C ATOM 253 O LYS A 19 22.867 -5.316 -9.307 1.00 0.00 O ATOM 254 CB LYS A 19 26.063 -5.023 -8.959 1.00 0.00 C ATOM 255 CG LYS A 19 27.039 -3.936 -9.480 1.00 0.00 C ATOM 256 CD LYS A 19 27.951 -3.288 -8.416 1.00 0.00 C ATOM 257 CE LYS A 19 28.873 -2.171 -8.936 1.00 0.00 C ATOM 258 NZ LYS A 19 30.006 -2.709 -9.718 1.00 0.00 N ATOM 0 H LYS A 19 25.820 -4.895 -6.308 1.00 0.00 H new ATOM 0 HA LYS A 19 24.481 -3.577 -8.567 1.00 0.00 H new ATOM 0 HB2 LYS A 19 26.625 -5.709 -8.326 1.00 0.00 H new ATOM 0 HB3 LYS A 19 25.707 -5.598 -9.814 1.00 0.00 H new ATOM 0 HG2 LYS A 19 27.670 -4.380 -10.251 1.00 0.00 H new ATOM 0 HG3 LYS A 19 26.456 -3.150 -9.959 1.00 0.00 H new ATOM 0 HD2 LYS A 19 27.324 -2.880 -7.623 1.00 0.00 H new ATOM 0 HD3 LYS A 19 28.568 -4.066 -7.966 1.00 0.00 H new ATOM 0 HE2 LYS A 19 28.297 -1.485 -9.557 1.00 0.00 H new ATOM 0 HE3 LYS A 19 29.255 -1.594 -8.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 30.602 -1.924 -10.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 30.571 -3.344 -9.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 29.643 -3.238 -10.537 1.00 0.00 H new ATOM 271 N LEU A 20 23.463 -6.553 -7.515 1.00 0.00 N ATOM 272 CA LEU A 20 22.594 -7.751 -7.779 1.00 0.00 C ATOM 273 C LEU A 20 22.885 -8.652 -9.022 1.00 0.00 C ATOM 274 O LEU A 20 22.504 -9.825 -9.030 1.00 0.00 O ATOM 275 CB LEU A 20 21.092 -7.588 -7.391 1.00 0.00 C ATOM 276 CG LEU A 20 20.263 -6.429 -7.979 1.00 0.00 C ATOM 277 CD1 LEU A 20 19.958 -6.614 -9.476 1.00 0.00 C ATOM 278 CD2 LEU A 20 18.932 -6.266 -7.220 1.00 0.00 C ATOM 0 H LEU A 20 23.956 -6.615 -6.624 1.00 0.00 H new ATOM 0 HA LEU A 20 23.001 -8.417 -7.018 1.00 0.00 H new ATOM 0 HB2 LEU A 20 20.586 -8.516 -7.658 1.00 0.00 H new ATOM 0 HB3 LEU A 20 21.046 -7.501 -6.305 1.00 0.00 H new ATOM 0 HG LEU A 20 20.875 -5.534 -7.864 1.00 0.00 H new ATOM 0 HD11 LEU A 20 19.372 -5.768 -9.835 1.00 0.00 H new ATOM 0 HD12 LEU A 20 20.893 -6.671 -10.033 1.00 0.00 H new ATOM 0 HD13 LEU A 20 19.393 -7.535 -9.621 1.00 0.00 H new ATOM 0 HD21 LEU A 20 18.365 -5.442 -7.653 1.00 0.00 H new ATOM 0 HD22 LEU A 20 18.353 -7.186 -7.299 1.00 0.00 H new ATOM 0 HD23 LEU A 20 19.135 -6.054 -6.170 1.00 0.00 H new ATOM 290 N ASP A 21 23.654 -8.177 -10.010 1.00 0.00 N ATOM 291 CA ASP A 21 23.992 -8.966 -11.234 1.00 0.00 C ATOM 292 C ASP A 21 25.245 -9.885 -11.015 1.00 0.00 C ATOM 293 O ASP A 21 26.280 -9.729 -11.676 1.00 0.00 O ATOM 294 CB ASP A 21 24.144 -7.982 -12.428 1.00 0.00 C ATOM 295 CG ASP A 21 22.874 -7.236 -12.842 1.00 0.00 C ATOM 296 OD1 ASP A 21 21.998 -7.719 -13.551 1.00 0.00 O ATOM 297 OD2 ASP A 21 22.826 -5.975 -12.332 1.00 0.00 O ATOM 0 H ASP A 21 24.064 -7.243 -9.998 1.00 0.00 H new ATOM 0 HA ASP A 21 23.183 -9.660 -11.464 1.00 0.00 H new ATOM 0 HB2 ASP A 21 24.908 -7.247 -12.174 1.00 0.00 H new ATOM 0 HB3 ASP A 21 24.512 -8.540 -13.289 1.00 0.00 H new ATOM 302 N GLY A 22 25.164 -10.835 -10.058 1.00 0.00 N ATOM 303 CA GLY A 22 26.319 -11.702 -9.682 1.00 0.00 C ATOM 304 C GLY A 22 27.435 -11.050 -8.829 1.00 0.00 C ATOM 305 O GLY A 22 27.729 -11.511 -7.726 1.00 0.00 O ATOM 0 H GLY A 22 24.314 -11.026 -9.528 1.00 0.00 H new ATOM 0 HA2 GLY A 22 25.933 -12.563 -9.136 1.00 0.00 H new ATOM 0 HA3 GLY A 22 26.771 -12.082 -10.598 1.00 0.00 H new ATOM 309 N ASN A 23 28.064 -9.994 -9.365 1.00 0.00 N ATOM 310 CA ASN A 23 29.171 -9.260 -8.690 1.00 0.00 C ATOM 311 C ASN A 23 28.690 -8.324 -7.526 1.00 0.00 C ATOM 312 O ASN A 23 27.509 -7.988 -7.381 1.00 0.00 O ATOM 313 CB ASN A 23 29.981 -8.457 -9.750 1.00 0.00 C ATOM 314 CG ASN A 23 30.649 -9.260 -10.873 1.00 0.00 C ATOM 315 OD1 ASN A 23 31.703 -9.859 -10.696 1.00 0.00 O ATOM 316 ND2 ASN A 23 30.076 -9.299 -12.053 1.00 0.00 N ATOM 0 H ASN A 23 27.826 -9.615 -10.282 1.00 0.00 H new ATOM 0 HA ASN A 23 29.809 -10.007 -8.217 1.00 0.00 H new ATOM 0 HB2 ASN A 23 29.311 -7.729 -10.207 1.00 0.00 H new ATOM 0 HB3 ASN A 23 30.756 -7.895 -9.229 1.00 0.00 H new ATOM 0 HD21 ASN A 23 30.508 -9.825 -12.813 1.00 0.00 H new ATOM 0 HD22 ASN A 23 29.198 -8.804 -12.210 1.00 0.00 H new ATOM 323 N ASP A 24 29.653 -7.910 -6.690 1.00 0.00 N ATOM 324 CA ASP A 24 29.372 -7.208 -5.405 1.00 0.00 C ATOM 325 C ASP A 24 29.299 -5.651 -5.567 1.00 0.00 C ATOM 326 O ASP A 24 28.194 -5.102 -5.619 1.00 0.00 O ATOM 327 CB ASP A 24 30.366 -7.730 -4.320 1.00 0.00 C ATOM 328 CG ASP A 24 30.187 -9.189 -3.866 1.00 0.00 C ATOM 329 OD1 ASP A 24 29.093 -9.720 -3.692 1.00 0.00 O ATOM 330 OD2 ASP A 24 31.381 -9.813 -3.639 1.00 0.00 O ATOM 0 H ASP A 24 30.647 -8.046 -6.874 1.00 0.00 H new ATOM 0 HA ASP A 24 28.368 -7.451 -5.056 1.00 0.00 H new ATOM 0 HB2 ASP A 24 31.380 -7.615 -4.703 1.00 0.00 H new ATOM 0 HB3 ASP A 24 30.281 -7.088 -3.443 1.00 0.00 H new ATOM 335 N GLY A 25 30.454 -4.959 -5.637 1.00 0.00 N ATOM 336 CA GLY A 25 30.526 -3.471 -5.646 1.00 0.00 C ATOM 337 C GLY A 25 31.232 -2.897 -4.394 1.00 0.00 C ATOM 338 O GLY A 25 32.327 -3.337 -4.033 1.00 0.00 O ATOM 0 H GLY A 25 31.368 -5.410 -5.689 1.00 0.00 H new ATOM 0 HA2 GLY A 25 31.057 -3.143 -6.539 1.00 0.00 H new ATOM 0 HA3 GLY A 25 29.517 -3.063 -5.707 1.00 0.00 H new ATOM 342 N VAL A 26 30.596 -1.922 -3.728 1.00 0.00 N ATOM 343 CA VAL A 26 30.964 -1.521 -2.325 1.00 0.00 C ATOM 344 C VAL A 26 30.262 -2.454 -1.275 1.00 0.00 C ATOM 345 O VAL A 26 30.933 -2.935 -0.360 1.00 0.00 O ATOM 346 CB VAL A 26 30.715 0.001 -2.017 1.00 0.00 C ATOM 347 CG1 VAL A 26 31.257 0.443 -0.635 1.00 0.00 C ATOM 348 CG2 VAL A 26 31.304 0.980 -3.058 1.00 0.00 C ATOM 0 H VAL A 26 29.823 -1.386 -4.121 1.00 0.00 H new ATOM 0 HA VAL A 26 32.042 -1.657 -2.239 1.00 0.00 H new ATOM 0 HB VAL A 26 29.627 0.061 -2.045 1.00 0.00 H new ATOM 0 HG11 VAL A 26 31.052 1.503 -0.486 1.00 0.00 H new ATOM 0 HG12 VAL A 26 30.768 -0.135 0.149 1.00 0.00 H new ATOM 0 HG13 VAL A 26 32.333 0.272 -0.594 1.00 0.00 H new ATOM 0 HG21 VAL A 26 31.082 2.005 -2.760 1.00 0.00 H new ATOM 0 HG22 VAL A 26 32.384 0.845 -3.114 1.00 0.00 H new ATOM 0 HG23 VAL A 26 30.862 0.782 -4.035 1.00 0.00 H new ATOM 358 N GLY A 27 28.941 -2.697 -1.392 1.00 0.00 N ATOM 359 CA GLY A 27 28.275 -3.823 -0.693 1.00 0.00 C ATOM 360 C GLY A 27 28.243 -5.171 -1.467 1.00 0.00 C ATOM 361 O GLY A 27 28.726 -5.237 -2.600 1.00 0.00 O ATOM 0 H GLY A 27 28.312 -2.132 -1.962 1.00 0.00 H new ATOM 0 HA2 GLY A 27 28.779 -3.984 0.260 1.00 0.00 H new ATOM 0 HA3 GLY A 27 27.250 -3.531 -0.466 1.00 0.00 H new ATOM 365 N PRO A 28 27.657 -6.274 -0.924 1.00 0.00 N ATOM 366 CA PRO A 28 27.440 -7.534 -1.691 1.00 0.00 C ATOM 367 C PRO A 28 26.407 -7.452 -2.865 1.00 0.00 C ATOM 368 O PRO A 28 25.714 -6.452 -3.072 1.00 0.00 O ATOM 369 CB PRO A 28 26.991 -8.490 -0.562 1.00 0.00 C ATOM 370 CG PRO A 28 26.316 -7.582 0.463 1.00 0.00 C ATOM 371 CD PRO A 28 27.228 -6.365 0.482 1.00 0.00 C ATOM 0 HA PRO A 28 28.330 -7.843 -2.239 1.00 0.00 H new ATOM 0 HB2 PRO A 28 26.302 -9.248 -0.935 1.00 0.00 H new ATOM 0 HB3 PRO A 28 27.840 -9.017 -0.127 1.00 0.00 H new ATOM 0 HG2 PRO A 28 25.300 -7.322 0.167 1.00 0.00 H new ATOM 0 HG3 PRO A 28 26.251 -8.055 1.443 1.00 0.00 H new ATOM 0 HD2 PRO A 28 26.702 -5.467 0.806 1.00 0.00 H new ATOM 0 HD3 PRO A 28 28.073 -6.500 1.157 1.00 0.00 H new ATOM 379 N HIS A 29 26.257 -8.551 -3.614 1.00 0.00 N ATOM 380 CA HIS A 29 25.088 -8.754 -4.512 1.00 0.00 C ATOM 381 C HIS A 29 23.746 -8.966 -3.713 1.00 0.00 C ATOM 382 O HIS A 29 23.722 -9.640 -2.676 1.00 0.00 O ATOM 383 CB HIS A 29 25.442 -9.906 -5.501 1.00 0.00 C ATOM 384 CG HIS A 29 25.473 -11.363 -5.007 1.00 0.00 C ATOM 385 ND1 HIS A 29 25.777 -11.802 -3.724 1.00 0.00 N ATOM 386 CD2 HIS A 29 25.167 -12.451 -5.828 1.00 0.00 C ATOM 387 CE1 HIS A 29 25.571 -13.146 -3.898 1.00 0.00 C ATOM 388 NE2 HIS A 29 25.231 -13.636 -5.125 1.00 0.00 N ATOM 0 H HIS A 29 26.926 -9.321 -3.624 1.00 0.00 H new ATOM 0 HA HIS A 29 24.891 -7.853 -5.094 1.00 0.00 H new ATOM 0 HB2 HIS A 29 24.728 -9.858 -6.323 1.00 0.00 H new ATOM 0 HB3 HIS A 29 26.424 -9.684 -5.918 1.00 0.00 H new ATOM 0 HD2 HIS A 29 24.914 -12.374 -6.875 1.00 0.00 H new ATOM 0 HE1 HIS A 29 25.678 -13.820 -3.061 1.00 0.00 H new ATOM 0 HE2 HIS A 29 25.071 -14.596 -5.432 1.00 0.00 H new ATOM 396 N LEU A 30 22.631 -8.375 -4.174 1.00 0.00 N ATOM 397 CA LEU A 30 21.303 -8.504 -3.493 1.00 0.00 C ATOM 398 C LEU A 30 20.248 -9.370 -4.268 1.00 0.00 C ATOM 399 O LEU A 30 19.040 -9.178 -4.083 1.00 0.00 O ATOM 400 CB LEU A 30 20.788 -7.060 -3.202 1.00 0.00 C ATOM 401 CG LEU A 30 21.575 -6.185 -2.192 1.00 0.00 C ATOM 402 CD1 LEU A 30 20.906 -4.807 -2.057 1.00 0.00 C ATOM 403 CD2 LEU A 30 21.707 -6.816 -0.796 1.00 0.00 C ATOM 0 H LEU A 30 22.609 -7.799 -5.016 1.00 0.00 H new ATOM 0 HA LEU A 30 21.443 -9.062 -2.568 1.00 0.00 H new ATOM 0 HB2 LEU A 30 20.753 -6.523 -4.150 1.00 0.00 H new ATOM 0 HB3 LEU A 30 19.762 -7.140 -2.843 1.00 0.00 H new ATOM 0 HG LEU A 30 22.583 -6.093 -2.597 1.00 0.00 H new ATOM 0 HD11 LEU A 30 21.465 -4.199 -1.346 1.00 0.00 H new ATOM 0 HD12 LEU A 30 20.895 -4.311 -3.028 1.00 0.00 H new ATOM 0 HD13 LEU A 30 19.883 -4.932 -1.702 1.00 0.00 H new ATOM 0 HD21 LEU A 30 22.269 -6.146 -0.146 1.00 0.00 H new ATOM 0 HD22 LEU A 30 20.715 -6.981 -0.376 1.00 0.00 H new ATOM 0 HD23 LEU A 30 22.231 -7.769 -0.875 1.00 0.00 H new ATOM 415 N ASN A 31 20.678 -10.352 -5.091 1.00 0.00 N ATOM 416 CA ASN A 31 19.754 -11.185 -5.914 1.00 0.00 C ATOM 417 C ASN A 31 18.875 -12.173 -5.078 1.00 0.00 C ATOM 418 O ASN A 31 19.319 -13.238 -4.640 1.00 0.00 O ATOM 419 CB ASN A 31 20.490 -11.841 -7.113 1.00 0.00 C ATOM 420 CG ASN A 31 21.698 -12.759 -6.903 1.00 0.00 C ATOM 421 OD1 ASN A 31 22.071 -13.163 -5.808 1.00 0.00 O ATOM 422 ND2 ASN A 31 22.356 -13.116 -7.981 1.00 0.00 N ATOM 0 H ASN A 31 21.662 -10.593 -5.208 1.00 0.00 H new ATOM 0 HA ASN A 31 19.022 -10.503 -6.346 1.00 0.00 H new ATOM 0 HB2 ASN A 31 19.747 -12.416 -7.665 1.00 0.00 H new ATOM 0 HB3 ASN A 31 20.816 -11.032 -7.766 1.00 0.00 H new ATOM 0 HD21 ASN A 31 23.171 -13.725 -7.903 1.00 0.00 H new ATOM 0 HD22 ASN A 31 22.053 -12.785 -8.897 1.00 0.00 H new ATOM 429 N GLY A 32 17.623 -11.759 -4.820 1.00 0.00 N ATOM 430 CA GLY A 32 16.719 -12.472 -3.882 1.00 0.00 C ATOM 431 C GLY A 32 17.013 -12.326 -2.375 1.00 0.00 C ATOM 432 O GLY A 32 16.893 -13.311 -1.648 1.00 0.00 O ATOM 0 H GLY A 32 17.206 -10.931 -5.247 1.00 0.00 H new ATOM 0 HA2 GLY A 32 15.702 -12.125 -4.063 1.00 0.00 H new ATOM 0 HA3 GLY A 32 16.743 -13.533 -4.130 1.00 0.00 H new ATOM 436 N VAL A 33 17.347 -11.115 -1.894 1.00 0.00 N ATOM 437 CA VAL A 33 17.626 -10.869 -0.437 1.00 0.00 C ATOM 438 C VAL A 33 16.416 -11.015 0.564 1.00 0.00 C ATOM 439 O VAL A 33 16.636 -11.319 1.741 1.00 0.00 O ATOM 440 CB VAL A 33 18.491 -9.575 -0.251 1.00 0.00 C ATOM 441 CG1 VAL A 33 17.741 -8.249 -0.502 1.00 0.00 C ATOM 442 CG2 VAL A 33 19.176 -9.512 1.134 1.00 0.00 C ATOM 0 H VAL A 33 17.434 -10.283 -2.478 1.00 0.00 H new ATOM 0 HA VAL A 33 18.226 -11.720 -0.115 1.00 0.00 H new ATOM 0 HB VAL A 33 19.246 -9.669 -1.031 1.00 0.00 H new ATOM 0 HG11 VAL A 33 18.422 -7.411 -0.349 1.00 0.00 H new ATOM 0 HG12 VAL A 33 17.367 -8.231 -1.526 1.00 0.00 H new ATOM 0 HG13 VAL A 33 16.904 -8.168 0.191 1.00 0.00 H new ATOM 0 HG21 VAL A 33 19.762 -8.596 1.209 1.00 0.00 H new ATOM 0 HG22 VAL A 33 18.417 -9.522 1.916 1.00 0.00 H new ATOM 0 HG23 VAL A 33 19.833 -10.374 1.255 1.00 0.00 H new ATOM 452 N VAL A 34 15.161 -10.846 0.111 1.00 0.00 N ATOM 453 CA VAL A 34 13.936 -11.076 0.938 1.00 0.00 C ATOM 454 C VAL A 34 13.744 -12.615 1.189 1.00 0.00 C ATOM 455 O VAL A 34 13.418 -13.374 0.272 1.00 0.00 O ATOM 456 CB VAL A 34 12.688 -10.405 0.262 1.00 0.00 C ATOM 457 CG1 VAL A 34 11.394 -10.558 1.094 1.00 0.00 C ATOM 458 CG2 VAL A 34 12.849 -8.891 -0.016 1.00 0.00 C ATOM 0 H VAL A 34 14.954 -10.545 -0.841 1.00 0.00 H new ATOM 0 HA VAL A 34 14.052 -10.604 1.914 1.00 0.00 H new ATOM 0 HB VAL A 34 12.614 -10.945 -0.682 1.00 0.00 H new ATOM 0 HG11 VAL A 34 10.568 -10.074 0.574 1.00 0.00 H new ATOM 0 HG12 VAL A 34 11.169 -11.616 1.226 1.00 0.00 H new ATOM 0 HG13 VAL A 34 11.532 -10.092 2.070 1.00 0.00 H new ATOM 0 HG21 VAL A 34 11.942 -8.508 -0.483 1.00 0.00 H new ATOM 0 HG22 VAL A 34 13.023 -8.365 0.923 1.00 0.00 H new ATOM 0 HG23 VAL A 34 13.696 -8.732 -0.683 1.00 0.00 H new ATOM 468 N GLY A 35 13.988 -13.061 2.431 1.00 0.00 N ATOM 469 CA GLY A 35 14.153 -14.510 2.749 1.00 0.00 C ATOM 470 C GLY A 35 15.549 -15.150 2.520 1.00 0.00 C ATOM 471 O GLY A 35 15.612 -16.337 2.198 1.00 0.00 O ATOM 0 H GLY A 35 14.078 -12.447 3.241 1.00 0.00 H new ATOM 0 HA2 GLY A 35 13.886 -14.655 3.796 1.00 0.00 H new ATOM 0 HA3 GLY A 35 13.428 -15.067 2.155 1.00 0.00 H new ATOM 475 N ARG A 36 16.649 -14.402 2.720 1.00 0.00 N ATOM 476 CA ARG A 36 18.036 -14.890 2.464 1.00 0.00 C ATOM 477 C ARG A 36 18.956 -14.584 3.689 1.00 0.00 C ATOM 478 O ARG A 36 18.813 -13.527 4.318 1.00 0.00 O ATOM 479 CB ARG A 36 18.543 -14.151 1.197 1.00 0.00 C ATOM 480 CG ARG A 36 19.689 -14.838 0.416 1.00 0.00 C ATOM 481 CD ARG A 36 20.591 -13.857 -0.371 1.00 0.00 C ATOM 482 NE ARG A 36 21.564 -13.170 0.534 1.00 0.00 N ATOM 483 CZ ARG A 36 22.720 -13.685 0.950 1.00 0.00 C ATOM 484 NH1 ARG A 36 23.196 -14.827 0.524 1.00 0.00 N ATOM 485 NH2 ARG A 36 23.415 -13.029 1.828 1.00 0.00 N ATOM 0 H ARG A 36 16.612 -13.442 3.063 1.00 0.00 H new ATOM 0 HA ARG A 36 18.051 -15.969 2.314 1.00 0.00 H new ATOM 0 HB2 ARG A 36 17.700 -14.016 0.519 1.00 0.00 H new ATOM 0 HB3 ARG A 36 18.878 -13.156 1.492 1.00 0.00 H new ATOM 0 HG2 ARG A 36 20.306 -15.400 1.117 1.00 0.00 H new ATOM 0 HG3 ARG A 36 19.260 -15.559 -0.280 1.00 0.00 H new ATOM 0 HD2 ARG A 36 21.132 -14.399 -1.146 1.00 0.00 H new ATOM 0 HD3 ARG A 36 19.972 -13.114 -0.874 1.00 0.00 H new ATOM 0 HE ARG A 36 21.323 -12.233 0.858 1.00 0.00 H new ATOM 0 HH11 ARG A 36 22.675 -15.372 -0.163 1.00 0.00 H new ATOM 0 HH12 ARG A 36 24.088 -15.172 0.879 1.00 0.00 H new ATOM 0 HH21 ARG A 36 23.073 -12.137 2.186 1.00 0.00 H new ATOM 0 HH22 ARG A 36 24.303 -13.405 2.160 1.00 0.00 H new ATOM 499 N THR A 37 19.917 -15.471 4.031 1.00 0.00 N ATOM 500 CA THR A 37 20.698 -15.337 5.302 1.00 0.00 C ATOM 501 C THR A 37 21.512 -14.012 5.472 1.00 0.00 C ATOM 502 O THR A 37 22.052 -13.453 4.510 1.00 0.00 O ATOM 503 CB THR A 37 21.498 -16.629 5.661 1.00 0.00 C ATOM 504 OG1 THR A 37 21.494 -16.804 7.075 1.00 0.00 O ATOM 505 CG2 THR A 37 22.972 -16.622 5.227 1.00 0.00 C ATOM 0 H THR A 37 20.175 -16.277 3.462 1.00 0.00 H new ATOM 0 HA THR A 37 19.930 -15.232 6.068 1.00 0.00 H new ATOM 0 HB THR A 37 20.996 -17.430 5.119 1.00 0.00 H new ATOM 0 HG1 THR A 37 20.638 -17.191 7.354 1.00 0.00 H new ATOM 0 HG21 THR A 37 23.442 -17.561 5.520 1.00 0.00 H new ATOM 0 HG22 THR A 37 23.032 -16.509 4.145 1.00 0.00 H new ATOM 0 HG23 THR A 37 23.489 -15.792 5.708 1.00 0.00 H new ATOM 513 N VAL A 38 21.642 -13.554 6.725 1.00 0.00 N ATOM 514 CA VAL A 38 22.438 -12.348 7.059 1.00 0.00 C ATOM 515 C VAL A 38 23.958 -12.724 7.110 1.00 0.00 C ATOM 516 O VAL A 38 24.379 -13.619 7.849 1.00 0.00 O ATOM 517 CB VAL A 38 21.908 -11.665 8.369 1.00 0.00 C ATOM 518 CG1 VAL A 38 22.643 -10.336 8.685 1.00 0.00 C ATOM 519 CG2 VAL A 38 20.380 -11.411 8.411 1.00 0.00 C ATOM 0 H VAL A 38 21.206 -13.998 7.533 1.00 0.00 H new ATOM 0 HA VAL A 38 22.321 -11.596 6.278 1.00 0.00 H new ATOM 0 HB VAL A 38 22.130 -12.408 9.135 1.00 0.00 H new ATOM 0 HG11 VAL A 38 22.238 -9.905 9.601 1.00 0.00 H new ATOM 0 HG12 VAL A 38 23.707 -10.531 8.816 1.00 0.00 H new ATOM 0 HG13 VAL A 38 22.501 -9.637 7.861 1.00 0.00 H new ATOM 0 HG21 VAL A 38 20.116 -10.936 9.356 1.00 0.00 H new ATOM 0 HG22 VAL A 38 20.097 -10.758 7.585 1.00 0.00 H new ATOM 0 HG23 VAL A 38 19.851 -12.360 8.321 1.00 0.00 H new ATOM 529 N ALA A 39 24.764 -12.033 6.281 1.00 0.00 N ATOM 530 CA ALA A 39 26.233 -12.263 6.137 1.00 0.00 C ATOM 531 C ALA A 39 26.764 -13.546 5.409 1.00 0.00 C ATOM 532 O ALA A 39 27.966 -13.827 5.457 1.00 0.00 O ATOM 533 CB ALA A 39 26.960 -11.935 7.451 1.00 0.00 C ATOM 0 H ALA A 39 24.417 -11.286 5.679 1.00 0.00 H new ATOM 0 HA ALA A 39 26.506 -11.546 5.363 1.00 0.00 H new ATOM 0 HB1 ALA A 39 28.029 -12.108 7.328 1.00 0.00 H new ATOM 0 HB2 ALA A 39 26.789 -10.890 7.710 1.00 0.00 H new ATOM 0 HB3 ALA A 39 26.578 -12.574 8.247 1.00 0.00 H new ATOM 539 N GLY A 40 25.919 -14.263 4.650 1.00 0.00 N ATOM 540 CA GLY A 40 26.357 -15.450 3.865 1.00 0.00 C ATOM 541 C GLY A 40 26.537 -15.181 2.360 1.00 0.00 C ATOM 542 O GLY A 40 25.630 -15.477 1.579 1.00 0.00 O ATOM 0 H GLY A 40 24.926 -14.048 4.557 1.00 0.00 H new ATOM 0 HA2 GLY A 40 27.300 -15.813 4.273 1.00 0.00 H new ATOM 0 HA3 GLY A 40 25.625 -16.247 3.995 1.00 0.00 H new ATOM 546 N VAL A 41 27.693 -14.638 1.950 1.00 0.00 N ATOM 547 CA VAL A 41 28.094 -14.552 0.508 1.00 0.00 C ATOM 548 C VAL A 41 29.589 -14.996 0.435 1.00 0.00 C ATOM 549 O VAL A 41 30.476 -14.289 0.926 1.00 0.00 O ATOM 550 CB VAL A 41 27.850 -13.138 -0.141 1.00 0.00 C ATOM 551 CG1 VAL A 41 28.352 -13.020 -1.604 1.00 0.00 C ATOM 552 CG2 VAL A 41 26.361 -12.724 -0.158 1.00 0.00 C ATOM 0 H VAL A 41 28.382 -14.245 2.591 1.00 0.00 H new ATOM 0 HA VAL A 41 27.461 -15.210 -0.087 1.00 0.00 H new ATOM 0 HB VAL A 41 28.428 -12.478 0.505 1.00 0.00 H new ATOM 0 HG11 VAL A 41 28.147 -12.017 -1.979 1.00 0.00 H new ATOM 0 HG12 VAL A 41 29.425 -13.208 -1.637 1.00 0.00 H new ATOM 0 HG13 VAL A 41 27.837 -13.752 -2.226 1.00 0.00 H new ATOM 0 HG21 VAL A 41 26.262 -11.741 -0.618 1.00 0.00 H new ATOM 0 HG22 VAL A 41 25.787 -13.452 -0.731 1.00 0.00 H new ATOM 0 HG23 VAL A 41 25.982 -12.687 0.863 1.00 0.00 H new ATOM 562 N ASP A 42 29.876 -16.136 -0.227 1.00 0.00 N ATOM 563 CA ASP A 42 31.273 -16.583 -0.494 1.00 0.00 C ATOM 564 C ASP A 42 31.915 -15.716 -1.632 1.00 0.00 C ATOM 565 O ASP A 42 31.658 -15.921 -2.821 1.00 0.00 O ATOM 566 CB ASP A 42 31.218 -18.104 -0.794 1.00 0.00 C ATOM 567 CG ASP A 42 32.589 -18.778 -0.843 1.00 0.00 C ATOM 568 OD1 ASP A 42 33.293 -18.960 0.144 1.00 0.00 O ATOM 569 OD2 ASP A 42 32.943 -19.148 -2.104 1.00 0.00 O ATOM 0 H ASP A 42 29.163 -16.769 -0.590 1.00 0.00 H new ATOM 0 HA ASP A 42 31.927 -16.435 0.365 1.00 0.00 H new ATOM 0 HB2 ASP A 42 30.611 -18.593 -0.031 1.00 0.00 H new ATOM 0 HB3 ASP A 42 30.715 -18.258 -1.749 1.00 0.00 H new ATOM 574 N GLY A 43 32.680 -14.690 -1.229 1.00 0.00 N ATOM 575 CA GLY A 43 32.977 -13.529 -2.112 1.00 0.00 C ATOM 576 C GLY A 43 33.096 -12.175 -1.376 1.00 0.00 C ATOM 577 O GLY A 43 34.071 -11.453 -1.593 1.00 0.00 O ATOM 0 H GLY A 43 33.107 -14.631 -0.304 1.00 0.00 H new ATOM 0 HA2 GLY A 43 33.909 -13.722 -2.643 1.00 0.00 H new ATOM 0 HA3 GLY A 43 32.192 -13.451 -2.864 1.00 0.00 H new ATOM 581 N PHE A 44 32.108 -11.819 -0.533 1.00 0.00 N ATOM 582 CA PHE A 44 32.153 -10.582 0.292 1.00 0.00 C ATOM 583 C PHE A 44 32.481 -10.919 1.786 1.00 0.00 C ATOM 584 O PHE A 44 31.765 -11.695 2.428 1.00 0.00 O ATOM 585 CB PHE A 44 30.789 -9.851 0.130 1.00 0.00 C ATOM 586 CG PHE A 44 30.805 -8.400 0.636 1.00 0.00 C ATOM 587 CD1 PHE A 44 30.514 -8.111 1.974 1.00 0.00 C ATOM 588 CD2 PHE A 44 31.201 -7.367 -0.217 1.00 0.00 C ATOM 589 CE1 PHE A 44 30.634 -6.811 2.455 1.00 0.00 C ATOM 590 CE2 PHE A 44 31.320 -6.067 0.265 1.00 0.00 C ATOM 591 CZ PHE A 44 31.033 -5.787 1.599 1.00 0.00 C ATOM 0 H PHE A 44 31.260 -12.371 -0.400 1.00 0.00 H new ATOM 0 HA PHE A 44 32.952 -9.921 -0.046 1.00 0.00 H new ATOM 0 HB2 PHE A 44 30.506 -9.857 -0.923 1.00 0.00 H new ATOM 0 HB3 PHE A 44 30.022 -10.407 0.669 1.00 0.00 H new ATOM 0 HD1 PHE A 44 30.194 -8.901 2.637 1.00 0.00 H new ATOM 0 HD2 PHE A 44 31.416 -7.578 -1.254 1.00 0.00 H new ATOM 0 HE1 PHE A 44 30.418 -6.596 3.491 1.00 0.00 H new ATOM 0 HE2 PHE A 44 31.635 -5.274 -0.396 1.00 0.00 H new ATOM 0 HZ PHE A 44 31.120 -4.776 1.970 1.00 0.00 H new ATOM 601 N ASN A 45 33.523 -10.283 2.355 1.00 0.00 N ATOM 602 CA ASN A 45 33.808 -10.360 3.816 1.00 0.00 C ATOM 603 C ASN A 45 32.994 -9.283 4.611 1.00 0.00 C ATOM 604 O ASN A 45 33.089 -8.079 4.350 1.00 0.00 O ATOM 605 CB ASN A 45 35.341 -10.237 4.026 1.00 0.00 C ATOM 606 CG ASN A 45 35.793 -10.528 5.463 1.00 0.00 C ATOM 607 OD1 ASN A 45 35.731 -11.654 5.946 1.00 0.00 O ATOM 608 ND2 ASN A 45 36.212 -9.534 6.207 1.00 0.00 N ATOM 0 H ASN A 45 34.185 -9.709 1.833 1.00 0.00 H new ATOM 0 HA ASN A 45 33.483 -11.322 4.213 1.00 0.00 H new ATOM 0 HB2 ASN A 45 35.848 -10.925 3.349 1.00 0.00 H new ATOM 0 HB3 ASN A 45 35.656 -9.230 3.752 1.00 0.00 H new ATOM 0 HD21 ASN A 45 36.482 -9.701 7.176 1.00 0.00 H new ATOM 0 HD22 ASN A 45 36.268 -8.593 5.817 1.00 0.00 H new ATOM 615 N TYR A 46 32.217 -9.740 5.601 1.00 0.00 N ATOM 616 CA TYR A 46 31.325 -8.869 6.421 1.00 0.00 C ATOM 617 C TYR A 46 31.942 -8.516 7.824 1.00 0.00 C ATOM 618 O TYR A 46 33.022 -8.991 8.194 1.00 0.00 O ATOM 619 CB TYR A 46 29.965 -9.621 6.550 1.00 0.00 C ATOM 620 CG TYR A 46 29.115 -9.797 5.278 1.00 0.00 C ATOM 621 CD1 TYR A 46 29.308 -10.911 4.453 1.00 0.00 C ATOM 622 CD2 TYR A 46 28.090 -8.895 4.978 1.00 0.00 C ATOM 623 CE1 TYR A 46 28.490 -11.117 3.346 1.00 0.00 C ATOM 624 CE2 TYR A 46 27.262 -9.111 3.882 1.00 0.00 C ATOM 625 CZ TYR A 46 27.457 -10.225 3.072 1.00 0.00 C ATOM 626 OH TYR A 46 26.601 -10.469 2.036 1.00 0.00 O ATOM 0 H TYR A 46 32.180 -10.724 5.867 1.00 0.00 H new ATOM 0 HA TYR A 46 31.190 -7.904 5.933 1.00 0.00 H new ATOM 0 HB2 TYR A 46 30.168 -10.612 6.956 1.00 0.00 H new ATOM 0 HB3 TYR A 46 29.359 -9.093 7.286 1.00 0.00 H new ATOM 0 HD1 TYR A 46 30.096 -11.615 4.677 1.00 0.00 H new ATOM 0 HD2 TYR A 46 27.940 -8.026 5.601 1.00 0.00 H new ATOM 0 HE1 TYR A 46 28.656 -11.967 2.701 1.00 0.00 H new ATOM 0 HE2 TYR A 46 26.468 -8.414 3.660 1.00 0.00 H new ATOM 0 HH TYR A 46 25.722 -10.088 2.242 1.00 0.00 H new ATOM 636 N SER A 47 31.243 -7.694 8.639 1.00 0.00 N ATOM 637 CA SER A 47 31.627 -7.469 10.062 1.00 0.00 C ATOM 638 C SER A 47 31.280 -8.665 11.019 1.00 0.00 C ATOM 639 O SER A 47 30.460 -9.537 10.707 1.00 0.00 O ATOM 640 CB SER A 47 31.028 -6.114 10.524 1.00 0.00 C ATOM 641 OG SER A 47 29.617 -6.147 10.745 1.00 0.00 O ATOM 0 H SER A 47 30.415 -7.176 8.344 1.00 0.00 H new ATOM 0 HA SER A 47 32.714 -7.420 10.122 1.00 0.00 H new ATOM 0 HB2 SER A 47 31.522 -5.805 11.445 1.00 0.00 H new ATOM 0 HB3 SER A 47 31.250 -5.356 9.773 1.00 0.00 H new ATOM 0 HG SER A 47 29.402 -5.653 11.563 1.00 0.00 H new ATOM 647 N ASP A 48 31.895 -8.689 12.216 1.00 0.00 N ATOM 648 CA ASP A 48 31.603 -9.719 13.263 1.00 0.00 C ATOM 649 C ASP A 48 30.115 -9.769 13.785 1.00 0.00 C ATOM 650 O ASP A 48 29.572 -10.879 13.770 1.00 0.00 O ATOM 651 CB ASP A 48 32.626 -9.614 14.426 1.00 0.00 C ATOM 652 CG ASP A 48 34.077 -9.918 14.052 1.00 0.00 C ATOM 653 OD1 ASP A 48 34.328 -11.254 13.990 1.00 0.00 O ATOM 654 OD2 ASP A 48 34.916 -9.053 13.825 1.00 0.00 O ATOM 0 H ASP A 48 32.602 -8.009 12.495 1.00 0.00 H new ATOM 0 HA ASP A 48 31.721 -10.678 12.758 1.00 0.00 H new ATOM 0 HB2 ASP A 48 32.579 -8.607 14.839 1.00 0.00 H new ATOM 0 HB3 ASP A 48 32.322 -10.298 15.218 1.00 0.00 H new ATOM 659 N PRO A 49 29.391 -8.679 14.200 1.00 0.00 N ATOM 660 CA PRO A 49 27.924 -8.748 14.479 1.00 0.00 C ATOM 661 C PRO A 49 26.973 -8.994 13.254 1.00 0.00 C ATOM 662 O PRO A 49 25.875 -9.523 13.439 1.00 0.00 O ATOM 663 CB PRO A 49 27.683 -7.421 15.218 1.00 0.00 C ATOM 664 CG PRO A 49 28.712 -6.455 14.635 1.00 0.00 C ATOM 665 CD PRO A 49 29.928 -7.307 14.286 1.00 0.00 C ATOM 0 HA PRO A 49 27.665 -9.637 15.054 1.00 0.00 H new ATOM 0 HB2 PRO A 49 26.667 -7.059 15.059 1.00 0.00 H new ATOM 0 HB3 PRO A 49 27.816 -7.538 16.294 1.00 0.00 H new ATOM 0 HG2 PRO A 49 28.320 -5.952 13.751 1.00 0.00 H new ATOM 0 HG3 PRO A 49 28.972 -5.679 15.355 1.00 0.00 H new ATOM 0 HD2 PRO A 49 30.377 -6.994 13.343 1.00 0.00 H new ATOM 0 HD3 PRO A 49 30.702 -7.229 15.049 1.00 0.00 H new ATOM 673 N MET A 50 27.404 -8.689 12.011 1.00 0.00 N ATOM 674 CA MET A 50 26.826 -9.288 10.775 1.00 0.00 C ATOM 675 C MET A 50 26.861 -10.856 10.743 1.00 0.00 C ATOM 676 O MET A 50 25.812 -11.495 10.618 1.00 0.00 O ATOM 677 CB MET A 50 27.584 -8.672 9.556 1.00 0.00 C ATOM 678 CG MET A 50 26.789 -7.747 8.632 1.00 0.00 C ATOM 679 SD MET A 50 25.252 -8.488 8.090 1.00 0.00 S ATOM 680 CE MET A 50 24.588 -7.020 7.305 1.00 0.00 C ATOM 0 H MET A 50 28.157 -8.026 11.830 1.00 0.00 H new ATOM 0 HA MET A 50 25.764 -9.047 10.741 1.00 0.00 H new ATOM 0 HB2 MET A 50 28.440 -8.114 9.937 1.00 0.00 H new ATOM 0 HB3 MET A 50 27.979 -9.491 8.955 1.00 0.00 H new ATOM 0 HG2 MET A 50 26.576 -6.813 9.152 1.00 0.00 H new ATOM 0 HG3 MET A 50 27.396 -7.497 7.762 1.00 0.00 H new ATOM 0 HE1 MET A 50 23.608 -7.244 6.883 1.00 0.00 H new ATOM 0 HE2 MET A 50 24.491 -6.224 8.044 1.00 0.00 H new ATOM 0 HE3 MET A 50 25.260 -6.697 6.510 1.00 0.00 H new ATOM 690 N LYS A 51 28.061 -11.460 10.863 1.00 0.00 N ATOM 691 CA LYS A 51 28.244 -12.941 10.886 1.00 0.00 C ATOM 692 C LYS A 51 27.609 -13.677 12.115 1.00 0.00 C ATOM 693 O LYS A 51 27.039 -14.756 11.939 1.00 0.00 O ATOM 694 CB LYS A 51 29.760 -13.260 10.735 1.00 0.00 C ATOM 695 CG LYS A 51 30.404 -12.849 9.386 1.00 0.00 C ATOM 696 CD LYS A 51 31.913 -13.153 9.325 1.00 0.00 C ATOM 697 CE LYS A 51 32.553 -12.666 8.014 1.00 0.00 C ATOM 698 NZ LYS A 51 33.987 -13.018 7.987 1.00 0.00 N ATOM 0 H LYS A 51 28.936 -10.942 10.947 1.00 0.00 H new ATOM 0 HA LYS A 51 27.683 -13.340 10.041 1.00 0.00 H new ATOM 0 HB2 LYS A 51 30.299 -12.761 11.540 1.00 0.00 H new ATOM 0 HB3 LYS A 51 29.902 -14.332 10.872 1.00 0.00 H new ATOM 0 HG2 LYS A 51 29.900 -13.373 8.574 1.00 0.00 H new ATOM 0 HG3 LYS A 51 30.246 -11.783 9.224 1.00 0.00 H new ATOM 0 HD2 LYS A 51 32.412 -12.677 10.169 1.00 0.00 H new ATOM 0 HD3 LYS A 51 32.070 -14.227 9.426 1.00 0.00 H new ATOM 0 HE2 LYS A 51 32.044 -13.117 7.162 1.00 0.00 H new ATOM 0 HE3 LYS A 51 32.434 -11.587 7.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 34.466 -12.465 7.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 34.414 -12.806 8.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 34.092 -14.032 7.782 1.00 0.00 H new ATOM 711 N ALA A 52 27.650 -13.089 13.328 1.00 0.00 N ATOM 712 CA ALA A 52 26.840 -13.562 14.486 1.00 0.00 C ATOM 713 C ALA A 52 25.274 -13.481 14.389 1.00 0.00 C ATOM 714 O ALA A 52 24.605 -14.182 15.152 1.00 0.00 O ATOM 715 CB ALA A 52 27.364 -12.793 15.713 1.00 0.00 C ATOM 0 H ALA A 52 28.236 -12.281 13.539 1.00 0.00 H new ATOM 0 HA ALA A 52 26.980 -14.642 14.538 1.00 0.00 H new ATOM 0 HB1 ALA A 52 26.807 -13.098 16.599 1.00 0.00 H new ATOM 0 HB2 ALA A 52 28.422 -13.014 15.856 1.00 0.00 H new ATOM 0 HB3 ALA A 52 27.235 -11.722 15.554 1.00 0.00 H new ATOM 721 N HIS A 53 24.679 -12.687 13.470 1.00 0.00 N ATOM 722 CA HIS A 53 23.218 -12.746 13.167 1.00 0.00 C ATOM 723 C HIS A 53 22.812 -14.074 12.435 1.00 0.00 C ATOM 724 O HIS A 53 22.076 -14.878 13.015 1.00 0.00 O ATOM 725 CB HIS A 53 22.812 -11.427 12.438 1.00 0.00 C ATOM 726 CG HIS A 53 21.309 -11.111 12.318 1.00 0.00 C ATOM 727 ND1 HIS A 53 20.322 -12.015 11.939 1.00 0.00 N ATOM 728 CD2 HIS A 53 20.750 -9.827 12.467 1.00 0.00 C ATOM 729 CE1 HIS A 53 19.237 -11.177 11.911 1.00 0.00 C ATOM 730 NE2 HIS A 53 19.392 -9.850 12.204 1.00 0.00 N ATOM 0 H HIS A 53 25.185 -11.993 12.920 1.00 0.00 H new ATOM 0 HA HIS A 53 22.638 -12.795 14.089 1.00 0.00 H new ATOM 0 HB2 HIS A 53 23.289 -10.596 12.957 1.00 0.00 H new ATOM 0 HB3 HIS A 53 23.230 -11.457 11.432 1.00 0.00 H new ATOM 0 HD2 HIS A 53 21.306 -8.945 12.748 1.00 0.00 H new ATOM 0 HE1 HIS A 53 18.261 -11.564 11.658 1.00 0.00 H new ATOM 0 HE2 HIS A 53 18.705 -9.096 12.223 1.00 0.00 H new ATOM 738 N GLY A 54 23.258 -14.307 11.181 1.00 0.00 N ATOM 739 CA GLY A 54 22.815 -15.482 10.379 1.00 0.00 C ATOM 740 C GLY A 54 21.320 -15.453 9.981 1.00 0.00 C ATOM 741 O GLY A 54 20.837 -14.451 9.454 1.00 0.00 O ATOM 0 H GLY A 54 23.923 -13.702 10.698 1.00 0.00 H new ATOM 0 HA2 GLY A 54 23.419 -15.538 9.473 1.00 0.00 H new ATOM 0 HA3 GLY A 54 23.010 -16.391 10.949 1.00 0.00 H new ATOM 745 N GLY A 55 20.574 -16.544 10.212 1.00 0.00 N ATOM 746 CA GLY A 55 19.085 -16.532 10.095 1.00 0.00 C ATOM 747 C GLY A 55 18.542 -16.184 8.691 1.00 0.00 C ATOM 748 O GLY A 55 18.972 -16.811 7.719 1.00 0.00 O ATOM 0 H GLY A 55 20.963 -17.448 10.480 1.00 0.00 H new ATOM 0 HA2 GLY A 55 18.705 -17.513 10.382 1.00 0.00 H new ATOM 0 HA3 GLY A 55 18.685 -15.814 10.811 1.00 0.00 H new ATOM 752 N ASP A 56 17.666 -15.165 8.584 1.00 0.00 N ATOM 753 CA ASP A 56 17.264 -14.583 7.272 1.00 0.00 C ATOM 754 C ASP A 56 16.862 -13.075 7.338 1.00 0.00 C ATOM 755 O ASP A 56 16.292 -12.590 8.322 1.00 0.00 O ATOM 756 CB ASP A 56 16.103 -15.386 6.616 1.00 0.00 C ATOM 757 CG ASP A 56 16.456 -16.755 6.037 1.00 0.00 C ATOM 758 OD1 ASP A 56 17.192 -16.920 5.070 1.00 0.00 O ATOM 759 OD2 ASP A 56 15.864 -17.774 6.717 1.00 0.00 O ATOM 0 H ASP A 56 17.219 -14.722 9.387 1.00 0.00 H new ATOM 0 HA ASP A 56 18.162 -14.655 6.659 1.00 0.00 H new ATOM 0 HB2 ASP A 56 15.321 -15.524 7.362 1.00 0.00 H new ATOM 0 HB3 ASP A 56 15.678 -14.778 5.817 1.00 0.00 H new ATOM 764 N TRP A 57 17.064 -12.367 6.207 1.00 0.00 N ATOM 765 CA TRP A 57 16.469 -11.028 5.965 1.00 0.00 C ATOM 766 C TRP A 57 14.962 -11.103 5.565 1.00 0.00 C ATOM 767 O TRP A 57 14.601 -11.161 4.387 1.00 0.00 O ATOM 768 CB TRP A 57 17.321 -10.259 4.907 1.00 0.00 C ATOM 769 CG TRP A 57 18.533 -9.489 5.444 1.00 0.00 C ATOM 770 CD1 TRP A 57 19.868 -9.676 5.029 1.00 0.00 C ATOM 771 CD2 TRP A 57 18.591 -8.599 6.510 1.00 0.00 C ATOM 772 NE1 TRP A 57 20.764 -8.936 5.828 1.00 0.00 N ATOM 773 CE2 TRP A 57 19.955 -8.326 6.769 1.00 0.00 C ATOM 774 CE3 TRP A 57 17.584 -8.119 7.394 1.00 0.00 C ATOM 775 CZ2 TRP A 57 20.328 -7.686 7.970 1.00 0.00 C ATOM 776 CZ3 TRP A 57 17.978 -7.461 8.555 1.00 0.00 C ATOM 777 CH2 TRP A 57 19.330 -7.270 8.850 1.00 0.00 C ATOM 0 H TRP A 57 17.641 -12.703 5.436 1.00 0.00 H new ATOM 0 HA TRP A 57 16.492 -10.472 6.902 1.00 0.00 H new ATOM 0 HB2 TRP A 57 17.672 -10.975 4.164 1.00 0.00 H new ATOM 0 HB3 TRP A 57 16.670 -9.555 4.389 1.00 0.00 H new ATOM 0 HD1 TRP A 57 20.166 -10.306 4.204 1.00 0.00 H new ATOM 0 HE1 TRP A 57 21.777 -8.867 5.733 1.00 0.00 H new ATOM 0 HE3 TRP A 57 16.538 -8.262 7.169 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 21.369 -7.521 8.204 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 17.227 -7.092 9.238 1.00 0.00 H new ATOM 0 HH2 TRP A 57 19.607 -6.791 9.777 1.00 0.00 H new ATOM 788 N THR A 58 14.079 -11.070 6.573 1.00 0.00 N ATOM 789 CA THR A 58 12.600 -11.103 6.373 1.00 0.00 C ATOM 790 C THR A 58 12.006 -9.742 5.843 1.00 0.00 C ATOM 791 O THR A 58 12.586 -8.686 6.133 1.00 0.00 O ATOM 792 CB THR A 58 11.896 -11.535 7.705 1.00 0.00 C ATOM 793 OG1 THR A 58 12.155 -10.618 8.762 1.00 0.00 O ATOM 794 CG2 THR A 58 12.257 -12.939 8.220 1.00 0.00 C ATOM 0 H THR A 58 14.356 -11.020 7.553 1.00 0.00 H new ATOM 0 HA THR A 58 12.401 -11.838 5.593 1.00 0.00 H new ATOM 0 HB THR A 58 10.842 -11.544 7.428 1.00 0.00 H new ATOM 0 HG1 THR A 58 11.699 -10.919 9.575 1.00 0.00 H new ATOM 0 HG21 THR A 58 11.716 -13.137 9.145 1.00 0.00 H new ATOM 0 HG22 THR A 58 11.982 -13.683 7.472 1.00 0.00 H new ATOM 0 HG23 THR A 58 13.329 -12.993 8.408 1.00 0.00 H new ATOM 802 N PRO A 59 10.822 -9.677 5.153 1.00 0.00 N ATOM 803 CA PRO A 59 10.151 -8.374 4.810 1.00 0.00 C ATOM 804 C PRO A 59 9.601 -7.447 5.967 1.00 0.00 C ATOM 805 O PRO A 59 8.899 -6.466 5.709 1.00 0.00 O ATOM 806 CB PRO A 59 9.046 -8.865 3.850 1.00 0.00 C ATOM 807 CG PRO A 59 8.706 -10.284 4.303 1.00 0.00 C ATOM 808 CD PRO A 59 10.054 -10.866 4.719 1.00 0.00 C ATOM 0 HA PRO A 59 10.880 -7.669 4.411 1.00 0.00 H new ATOM 0 HB2 PRO A 59 8.170 -8.218 3.898 1.00 0.00 H new ATOM 0 HB3 PRO A 59 9.393 -8.856 2.817 1.00 0.00 H new ATOM 0 HG2 PRO A 59 7.999 -10.281 5.132 1.00 0.00 H new ATOM 0 HG3 PRO A 59 8.251 -10.863 3.499 1.00 0.00 H new ATOM 0 HD2 PRO A 59 9.947 -11.591 5.525 1.00 0.00 H new ATOM 0 HD3 PRO A 59 10.543 -11.380 3.891 1.00 0.00 H new ATOM 816 N GLU A 60 9.979 -7.744 7.217 1.00 0.00 N ATOM 817 CA GLU A 60 9.775 -6.886 8.418 1.00 0.00 C ATOM 818 C GLU A 60 11.160 -6.460 9.020 1.00 0.00 C ATOM 819 O GLU A 60 11.386 -5.263 9.213 1.00 0.00 O ATOM 820 CB GLU A 60 8.843 -7.661 9.396 1.00 0.00 C ATOM 821 CG GLU A 60 8.314 -6.886 10.631 1.00 0.00 C ATOM 822 CD GLU A 60 9.335 -6.639 11.745 1.00 0.00 C ATOM 823 OE1 GLU A 60 9.859 -7.532 12.403 1.00 0.00 O ATOM 824 OE2 GLU A 60 9.610 -5.315 11.906 1.00 0.00 O ATOM 0 H GLU A 60 10.454 -8.618 7.441 1.00 0.00 H new ATOM 0 HA GLU A 60 9.281 -5.945 8.177 1.00 0.00 H new ATOM 0 HB2 GLU A 60 7.984 -8.022 8.830 1.00 0.00 H new ATOM 0 HB3 GLU A 60 9.382 -8.539 9.753 1.00 0.00 H new ATOM 0 HG2 GLU A 60 7.929 -5.923 10.296 1.00 0.00 H new ATOM 0 HG3 GLU A 60 7.472 -7.437 11.050 1.00 0.00 H new ATOM 831 N ALA A 61 12.102 -7.400 9.276 1.00 0.00 N ATOM 832 CA ALA A 61 13.513 -7.075 9.632 1.00 0.00 C ATOM 833 C ALA A 61 14.288 -6.164 8.624 1.00 0.00 C ATOM 834 O ALA A 61 14.933 -5.211 9.065 1.00 0.00 O ATOM 835 CB ALA A 61 14.243 -8.407 9.892 1.00 0.00 C ATOM 0 H ALA A 61 11.911 -8.401 9.243 1.00 0.00 H new ATOM 0 HA ALA A 61 13.484 -6.450 10.525 1.00 0.00 H new ATOM 0 HB1 ALA A 61 15.282 -8.207 10.156 1.00 0.00 H new ATOM 0 HB2 ALA A 61 13.755 -8.935 10.711 1.00 0.00 H new ATOM 0 HB3 ALA A 61 14.209 -9.022 8.993 1.00 0.00 H new ATOM 841 N LEU A 62 14.160 -6.375 7.295 1.00 0.00 N ATOM 842 CA LEU A 62 14.532 -5.350 6.272 1.00 0.00 C ATOM 843 C LEU A 62 13.805 -3.969 6.375 1.00 0.00 C ATOM 844 O LEU A 62 14.441 -2.956 6.101 1.00 0.00 O ATOM 845 CB LEU A 62 14.316 -5.911 4.843 1.00 0.00 C ATOM 846 CG LEU A 62 15.252 -7.046 4.363 1.00 0.00 C ATOM 847 CD1 LEU A 62 14.701 -7.686 3.079 1.00 0.00 C ATOM 848 CD2 LEU A 62 16.678 -6.524 4.100 1.00 0.00 C ATOM 0 H LEU A 62 13.803 -7.244 6.897 1.00 0.00 H new ATOM 0 HA LEU A 62 15.582 -5.148 6.483 1.00 0.00 H new ATOM 0 HB2 LEU A 62 13.290 -6.273 4.777 1.00 0.00 H new ATOM 0 HB3 LEU A 62 14.407 -5.082 4.141 1.00 0.00 H new ATOM 0 HG LEU A 62 15.295 -7.793 5.156 1.00 0.00 H new ATOM 0 HD11 LEU A 62 15.370 -8.483 2.753 1.00 0.00 H new ATOM 0 HD12 LEU A 62 13.712 -8.100 3.274 1.00 0.00 H new ATOM 0 HD13 LEU A 62 14.630 -6.930 2.297 1.00 0.00 H new ATOM 0 HD21 LEU A 62 17.310 -7.346 3.764 1.00 0.00 H new ATOM 0 HD22 LEU A 62 16.647 -5.753 3.331 1.00 0.00 H new ATOM 0 HD23 LEU A 62 17.087 -6.104 5.019 1.00 0.00 H new ATOM 860 N GLN A 63 12.516 -3.887 6.756 1.00 0.00 N ATOM 861 CA GLN A 63 11.843 -2.568 7.002 1.00 0.00 C ATOM 862 C GLN A 63 12.288 -1.764 8.271 1.00 0.00 C ATOM 863 O GLN A 63 12.170 -0.533 8.288 1.00 0.00 O ATOM 864 CB GLN A 63 10.299 -2.716 6.951 1.00 0.00 C ATOM 865 CG GLN A 63 9.749 -3.106 5.557 1.00 0.00 C ATOM 866 CD GLN A 63 8.299 -2.709 5.289 1.00 0.00 C ATOM 867 OE1 GLN A 63 7.946 -1.536 5.284 1.00 0.00 O ATOM 868 NE2 GLN A 63 7.437 -3.653 5.010 1.00 0.00 N ATOM 0 H GLN A 63 11.915 -4.698 6.902 1.00 0.00 H new ATOM 0 HA GLN A 63 12.196 -1.948 6.178 1.00 0.00 H new ATOM 0 HB2 GLN A 63 9.993 -3.471 7.675 1.00 0.00 H new ATOM 0 HB3 GLN A 63 9.844 -1.775 7.259 1.00 0.00 H new ATOM 0 HG2 GLN A 63 10.380 -2.648 4.795 1.00 0.00 H new ATOM 0 HG3 GLN A 63 9.840 -4.186 5.439 1.00 0.00 H new ATOM 0 HE21 GLN A 63 7.731 -4.630 5.014 1.00 0.00 H new ATOM 0 HE22 GLN A 63 6.471 -3.412 4.788 1.00 0.00 H new ATOM 877 N GLU A 64 12.815 -2.443 9.298 1.00 0.00 N ATOM 878 CA GLU A 64 13.629 -1.803 10.372 1.00 0.00 C ATOM 879 C GLU A 64 15.108 -1.520 9.926 1.00 0.00 C ATOM 880 O GLU A 64 15.569 -0.381 10.038 1.00 0.00 O ATOM 881 CB GLU A 64 13.538 -2.680 11.652 1.00 0.00 C ATOM 882 CG GLU A 64 12.148 -2.714 12.338 1.00 0.00 C ATOM 883 CD GLU A 64 12.075 -3.661 13.533 1.00 0.00 C ATOM 884 OE1 GLU A 64 12.683 -3.151 14.640 1.00 0.00 O ATOM 885 OE2 GLU A 64 11.519 -4.755 13.500 1.00 0.00 O ATOM 0 H GLU A 64 12.697 -3.449 9.419 1.00 0.00 H new ATOM 0 HA GLU A 64 13.220 -0.817 10.591 1.00 0.00 H new ATOM 0 HB2 GLU A 64 13.822 -3.700 11.394 1.00 0.00 H new ATOM 0 HB3 GLU A 64 14.271 -2.318 12.373 1.00 0.00 H new ATOM 0 HG2 GLU A 64 11.891 -1.707 12.668 1.00 0.00 H new ATOM 0 HG3 GLU A 64 11.398 -3.011 11.605 1.00 0.00 H new ATOM 892 N PHE A 65 15.837 -2.523 9.392 1.00 0.00 N ATOM 893 CA PHE A 65 17.229 -2.364 8.878 1.00 0.00 C ATOM 894 C PHE A 65 17.419 -1.347 7.714 1.00 0.00 C ATOM 895 O PHE A 65 18.373 -0.575 7.768 1.00 0.00 O ATOM 896 CB PHE A 65 17.732 -3.783 8.515 1.00 0.00 C ATOM 897 CG PHE A 65 19.181 -3.938 8.020 1.00 0.00 C ATOM 898 CD1 PHE A 65 20.258 -3.895 8.912 1.00 0.00 C ATOM 899 CD2 PHE A 65 19.412 -4.285 6.685 1.00 0.00 C ATOM 900 CE1 PHE A 65 21.537 -4.248 8.486 1.00 0.00 C ATOM 901 CE2 PHE A 65 20.688 -4.653 6.272 1.00 0.00 C ATOM 902 CZ PHE A 65 21.742 -4.671 7.178 1.00 0.00 C ATOM 0 H PHE A 65 15.481 -3.475 9.301 1.00 0.00 H new ATOM 0 HA PHE A 65 17.829 -1.907 9.665 1.00 0.00 H new ATOM 0 HB2 PHE A 65 17.612 -4.414 9.396 1.00 0.00 H new ATOM 0 HB3 PHE A 65 17.073 -4.183 7.744 1.00 0.00 H new ATOM 0 HD1 PHE A 65 20.098 -3.587 9.935 1.00 0.00 H new ATOM 0 HD2 PHE A 65 18.599 -4.267 5.974 1.00 0.00 H new ATOM 0 HE1 PHE A 65 22.369 -4.193 9.172 1.00 0.00 H new ATOM 0 HE2 PHE A 65 20.861 -4.926 5.242 1.00 0.00 H new ATOM 0 HZ PHE A 65 22.718 -5.013 6.866 1.00 0.00 H new ATOM 912 N LEU A 66 16.545 -1.276 6.696 1.00 0.00 N ATOM 913 CA LEU A 66 16.613 -0.176 5.684 1.00 0.00 C ATOM 914 C LEU A 66 16.252 1.278 6.154 1.00 0.00 C ATOM 915 O LEU A 66 16.429 2.207 5.367 1.00 0.00 O ATOM 916 CB LEU A 66 15.833 -0.607 4.411 1.00 0.00 C ATOM 917 CG LEU A 66 16.346 -1.871 3.669 1.00 0.00 C ATOM 918 CD1 LEU A 66 15.473 -2.158 2.438 1.00 0.00 C ATOM 919 CD2 LEU A 66 17.826 -1.748 3.269 1.00 0.00 C ATOM 0 H LEU A 66 15.792 -1.947 6.542 1.00 0.00 H new ATOM 0 HA LEU A 66 17.675 -0.058 5.470 1.00 0.00 H new ATOM 0 HB2 LEU A 66 14.793 -0.776 4.691 1.00 0.00 H new ATOM 0 HB3 LEU A 66 15.842 0.226 3.709 1.00 0.00 H new ATOM 0 HG LEU A 66 16.271 -2.710 4.361 1.00 0.00 H new ATOM 0 HD11 LEU A 66 15.844 -3.047 1.928 1.00 0.00 H new ATOM 0 HD12 LEU A 66 14.443 -2.324 2.753 1.00 0.00 H new ATOM 0 HD13 LEU A 66 15.511 -1.307 1.758 1.00 0.00 H new ATOM 0 HD21 LEU A 66 18.140 -2.655 2.753 1.00 0.00 H new ATOM 0 HD22 LEU A 66 17.954 -0.891 2.607 1.00 0.00 H new ATOM 0 HD23 LEU A 66 18.434 -1.610 4.163 1.00 0.00 H new ATOM 931 N THR A 67 15.828 1.501 7.409 1.00 0.00 N ATOM 932 CA THR A 67 15.724 2.861 8.033 1.00 0.00 C ATOM 933 C THR A 67 16.763 3.134 9.169 1.00 0.00 C ATOM 934 O THR A 67 17.219 4.272 9.295 1.00 0.00 O ATOM 935 CB THR A 67 14.241 3.118 8.412 1.00 0.00 C ATOM 936 OG1 THR A 67 13.503 3.184 7.204 1.00 0.00 O ATOM 937 CG2 THR A 67 13.920 4.434 9.134 1.00 0.00 C ATOM 0 H THR A 67 15.542 0.748 8.035 1.00 0.00 H new ATOM 0 HA THR A 67 16.017 3.611 7.299 1.00 0.00 H new ATOM 0 HB THR A 67 13.994 2.308 9.099 1.00 0.00 H new ATOM 0 HG1 THR A 67 13.771 3.980 6.700 1.00 0.00 H new ATOM 0 HG21 THR A 67 12.851 4.485 9.339 1.00 0.00 H new ATOM 0 HG22 THR A 67 14.472 4.478 10.073 1.00 0.00 H new ATOM 0 HG23 THR A 67 14.209 5.275 8.503 1.00 0.00 H new ATOM 945 N ASN A 68 17.147 2.148 9.993 1.00 0.00 N ATOM 946 CA ASN A 68 18.279 2.266 10.947 1.00 0.00 C ATOM 947 C ASN A 68 19.169 0.972 10.803 1.00 0.00 C ATOM 948 O ASN A 68 19.032 0.057 11.625 1.00 0.00 O ATOM 949 CB ASN A 68 17.705 2.560 12.365 1.00 0.00 C ATOM 950 CG ASN A 68 17.626 4.015 12.842 1.00 0.00 C ATOM 951 OD1 ASN A 68 18.119 4.363 13.908 1.00 0.00 O ATOM 952 ND2 ASN A 68 17.007 4.915 12.123 1.00 0.00 N ATOM 0 H ASN A 68 16.684 1.239 10.023 1.00 0.00 H new ATOM 0 HA ASN A 68 18.946 3.103 10.739 1.00 0.00 H new ATOM 0 HB2 ASN A 68 16.698 2.144 12.407 1.00 0.00 H new ATOM 0 HB3 ASN A 68 18.308 2.008 13.086 1.00 0.00 H new ATOM 0 HD21 ASN A 68 16.944 5.878 12.454 1.00 0.00 H new ATOM 0 HD22 ASN A 68 16.587 4.654 11.231 1.00 0.00 H new ATOM 959 N PRO A 69 20.109 0.856 9.806 1.00 0.00 N ATOM 960 CA PRO A 69 20.983 -0.343 9.623 1.00 0.00 C ATOM 961 C PRO A 69 21.817 -0.807 10.849 1.00 0.00 C ATOM 962 O PRO A 69 21.805 -1.986 11.213 1.00 0.00 O ATOM 963 CB PRO A 69 21.865 0.049 8.410 1.00 0.00 C ATOM 964 CG PRO A 69 21.071 1.092 7.625 1.00 0.00 C ATOM 965 CD PRO A 69 20.198 1.785 8.665 1.00 0.00 C ATOM 0 HA PRO A 69 20.371 -1.232 9.471 1.00 0.00 H new ATOM 0 HB2 PRO A 69 22.822 0.455 8.739 1.00 0.00 H new ATOM 0 HB3 PRO A 69 22.084 -0.821 7.791 1.00 0.00 H new ATOM 0 HG2 PRO A 69 21.733 1.802 7.129 1.00 0.00 H new ATOM 0 HG3 PRO A 69 20.465 0.625 6.848 1.00 0.00 H new ATOM 0 HD2 PRO A 69 20.635 2.736 8.970 1.00 0.00 H new ATOM 0 HD3 PRO A 69 19.209 2.003 8.261 1.00 0.00 H new ATOM 973 N LYS A 70 22.475 0.159 11.507 1.00 0.00 N ATOM 974 CA LYS A 70 23.175 -0.080 12.802 1.00 0.00 C ATOM 975 C LYS A 70 22.304 -0.097 14.117 1.00 0.00 C ATOM 976 O LYS A 70 22.864 -0.209 15.208 1.00 0.00 O ATOM 977 CB LYS A 70 24.416 0.849 12.880 1.00 0.00 C ATOM 978 CG LYS A 70 24.121 2.360 13.010 1.00 0.00 C ATOM 979 CD LYS A 70 25.364 3.243 13.244 1.00 0.00 C ATOM 980 CE LYS A 70 26.291 3.363 12.022 1.00 0.00 C ATOM 981 NZ LYS A 70 27.421 4.260 12.335 1.00 0.00 N ATOM 0 H LYS A 70 22.544 1.120 11.172 1.00 0.00 H new ATOM 0 HA LYS A 70 23.485 -1.125 12.780 1.00 0.00 H new ATOM 0 HB2 LYS A 70 25.022 0.542 13.732 1.00 0.00 H new ATOM 0 HB3 LYS A 70 25.020 0.692 11.986 1.00 0.00 H new ATOM 0 HG2 LYS A 70 23.618 2.697 12.104 1.00 0.00 H new ATOM 0 HG3 LYS A 70 23.425 2.511 13.835 1.00 0.00 H new ATOM 0 HD2 LYS A 70 25.037 4.241 13.537 1.00 0.00 H new ATOM 0 HD3 LYS A 70 25.933 2.835 14.079 1.00 0.00 H new ATOM 0 HE2 LYS A 70 26.664 2.379 11.740 1.00 0.00 H new ATOM 0 HE3 LYS A 70 25.734 3.750 11.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 28.043 4.337 11.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 27.058 5.202 12.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 27.959 3.874 13.137 1.00 0.00 H new ATOM 994 N ALA A 71 20.960 -0.043 14.046 1.00 0.00 N ATOM 995 CA ALA A 71 20.071 -0.496 15.154 1.00 0.00 C ATOM 996 C ALA A 71 19.719 -2.021 15.112 1.00 0.00 C ATOM 997 O ALA A 71 19.728 -2.677 16.157 1.00 0.00 O ATOM 998 CB ALA A 71 18.809 0.382 15.125 1.00 0.00 C ATOM 0 H ALA A 71 20.456 0.310 13.232 1.00 0.00 H new ATOM 0 HA ALA A 71 20.607 -0.378 16.096 1.00 0.00 H new ATOM 0 HB1 ALA A 71 18.135 0.077 15.925 1.00 0.00 H new ATOM 0 HB2 ALA A 71 19.089 1.426 15.265 1.00 0.00 H new ATOM 0 HB3 ALA A 71 18.307 0.267 14.164 1.00 0.00 H new ATOM 1004 N VAL A 72 19.417 -2.590 13.925 1.00 0.00 N ATOM 1005 CA VAL A 72 19.200 -4.059 13.751 1.00 0.00 C ATOM 1006 C VAL A 72 20.561 -4.844 13.771 1.00 0.00 C ATOM 1007 O VAL A 72 20.709 -5.750 14.595 1.00 0.00 O ATOM 1008 CB VAL A 72 18.288 -4.314 12.498 1.00 0.00 C ATOM 1009 CG1 VAL A 72 18.126 -5.805 12.135 1.00 0.00 C ATOM 1010 CG2 VAL A 72 16.857 -3.739 12.627 1.00 0.00 C ATOM 0 H VAL A 72 19.315 -2.057 13.061 1.00 0.00 H new ATOM 0 HA VAL A 72 18.653 -4.467 14.601 1.00 0.00 H new ATOM 0 HB VAL A 72 18.833 -3.789 11.714 1.00 0.00 H new ATOM 0 HG11 VAL A 72 17.483 -5.899 11.260 1.00 0.00 H new ATOM 0 HG12 VAL A 72 19.103 -6.234 11.915 1.00 0.00 H new ATOM 0 HG13 VAL A 72 17.677 -6.337 12.974 1.00 0.00 H new ATOM 0 HG21 VAL A 72 16.294 -3.958 11.720 1.00 0.00 H new ATOM 0 HG22 VAL A 72 16.358 -4.193 13.483 1.00 0.00 H new ATOM 0 HG23 VAL A 72 16.910 -2.660 12.769 1.00 0.00 H new ATOM 1020 N VAL A 73 21.541 -4.509 12.905 1.00 0.00 N ATOM 1021 CA VAL A 73 22.927 -5.067 13.011 1.00 0.00 C ATOM 1022 C VAL A 73 23.850 -3.937 13.579 1.00 0.00 C ATOM 1023 O VAL A 73 24.511 -3.221 12.819 1.00 0.00 O ATOM 1024 CB VAL A 73 23.456 -5.631 11.647 1.00 0.00 C ATOM 1025 CG1 VAL A 73 24.861 -6.261 11.777 1.00 0.00 C ATOM 1026 CG2 VAL A 73 22.567 -6.701 10.981 1.00 0.00 C ATOM 0 H VAL A 73 21.411 -3.862 12.128 1.00 0.00 H new ATOM 0 HA VAL A 73 22.925 -5.924 13.685 1.00 0.00 H new ATOM 0 HB VAL A 73 23.461 -4.740 11.019 1.00 0.00 H new ATOM 0 HG11 VAL A 73 25.183 -6.637 10.806 1.00 0.00 H new ATOM 0 HG12 VAL A 73 25.567 -5.507 12.126 1.00 0.00 H new ATOM 0 HG13 VAL A 73 24.826 -7.084 12.491 1.00 0.00 H new ATOM 0 HG21 VAL A 73 23.024 -7.023 10.045 1.00 0.00 H new ATOM 0 HG22 VAL A 73 22.466 -7.557 11.648 1.00 0.00 H new ATOM 0 HG23 VAL A 73 21.582 -6.281 10.778 1.00 0.00 H new ATOM 1036 N LYS A 74 23.931 -3.790 14.912 1.00 0.00 N ATOM 1037 CA LYS A 74 24.822 -2.788 15.565 1.00 0.00 C ATOM 1038 C LYS A 74 26.336 -3.150 15.394 1.00 0.00 C ATOM 1039 O LYS A 74 26.838 -4.155 15.905 1.00 0.00 O ATOM 1040 CB LYS A 74 24.408 -2.505 17.036 1.00 0.00 C ATOM 1041 CG LYS A 74 24.280 -3.697 18.020 1.00 0.00 C ATOM 1042 CD LYS A 74 22.870 -4.328 18.067 1.00 0.00 C ATOM 1043 CE LYS A 74 21.850 -3.516 18.885 1.00 0.00 C ATOM 1044 NZ LYS A 74 20.498 -4.077 18.703 1.00 0.00 N ATOM 0 H LYS A 74 23.391 -4.351 15.571 1.00 0.00 H new ATOM 0 HA LYS A 74 24.687 -1.842 15.041 1.00 0.00 H new ATOM 0 HB2 LYS A 74 25.134 -1.808 17.455 1.00 0.00 H new ATOM 0 HB3 LYS A 74 23.448 -1.990 17.015 1.00 0.00 H new ATOM 0 HG2 LYS A 74 25.001 -4.465 17.739 1.00 0.00 H new ATOM 0 HG3 LYS A 74 24.548 -3.359 19.021 1.00 0.00 H new ATOM 0 HD2 LYS A 74 22.498 -4.439 17.048 1.00 0.00 H new ATOM 0 HD3 LYS A 74 22.945 -5.330 18.490 1.00 0.00 H new ATOM 0 HE2 LYS A 74 22.121 -3.534 19.941 1.00 0.00 H new ATOM 0 HE3 LYS A 74 21.866 -2.473 18.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 19.909 -3.838 19.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 20.069 -3.678 17.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 20.561 -5.111 18.610 1.00 0.00 H new ATOM 1057 N GLY A 75 27.017 -2.330 14.588 1.00 0.00 N ATOM 1058 CA GLY A 75 28.313 -2.700 13.955 1.00 0.00 C ATOM 1059 C GLY A 75 28.270 -3.320 12.531 1.00 0.00 C ATOM 1060 O GLY A 75 29.138 -4.134 12.203 1.00 0.00 O ATOM 0 H GLY A 75 26.698 -1.391 14.349 1.00 0.00 H new ATOM 0 HA2 GLY A 75 28.933 -1.805 13.912 1.00 0.00 H new ATOM 0 HA3 GLY A 75 28.818 -3.407 14.613 1.00 0.00 H new ATOM 1064 N THR A 76 27.343 -2.902 11.650 1.00 0.00 N ATOM 1065 CA THR A 76 27.425 -3.159 10.192 1.00 0.00 C ATOM 1066 C THR A 76 28.421 -2.161 9.522 1.00 0.00 C ATOM 1067 O THR A 76 28.394 -0.953 9.778 1.00 0.00 O ATOM 1068 CB THR A 76 25.995 -3.128 9.566 1.00 0.00 C ATOM 1069 OG1 THR A 76 26.040 -3.630 8.229 1.00 0.00 O ATOM 1070 CG2 THR A 76 25.256 -1.778 9.511 1.00 0.00 C ATOM 0 H THR A 76 26.514 -2.376 11.925 1.00 0.00 H new ATOM 0 HA THR A 76 27.824 -4.157 10.008 1.00 0.00 H new ATOM 0 HB THR A 76 25.425 -3.744 10.261 1.00 0.00 H new ATOM 0 HG1 THR A 76 26.782 -4.264 8.142 1.00 0.00 H new ATOM 0 HG21 THR A 76 24.278 -1.917 9.051 1.00 0.00 H new ATOM 0 HG22 THR A 76 25.129 -1.391 10.522 1.00 0.00 H new ATOM 0 HG23 THR A 76 25.837 -1.069 8.921 1.00 0.00 H new ATOM 1078 N LYS A 77 29.245 -2.656 8.591 1.00 0.00 N ATOM 1079 CA LYS A 77 30.018 -1.778 7.656 1.00 0.00 C ATOM 1080 C LYS A 77 29.177 -1.121 6.490 1.00 0.00 C ATOM 1081 O LYS A 77 29.757 -0.672 5.497 1.00 0.00 O ATOM 1082 CB LYS A 77 31.215 -2.635 7.142 1.00 0.00 C ATOM 1083 CG LYS A 77 32.343 -2.895 8.173 1.00 0.00 C ATOM 1084 CD LYS A 77 33.263 -4.070 7.769 1.00 0.00 C ATOM 1085 CE LYS A 77 34.505 -4.276 8.658 1.00 0.00 C ATOM 1086 NZ LYS A 77 34.170 -4.662 10.046 1.00 0.00 N ATOM 0 H LYS A 77 29.405 -3.654 8.452 1.00 0.00 H new ATOM 0 HA LYS A 77 30.361 -0.897 8.198 1.00 0.00 H new ATOM 0 HB2 LYS A 77 30.831 -3.596 6.801 1.00 0.00 H new ATOM 0 HB3 LYS A 77 31.648 -2.138 6.274 1.00 0.00 H new ATOM 0 HG2 LYS A 77 32.943 -1.992 8.285 1.00 0.00 H new ATOM 0 HG3 LYS A 77 31.899 -3.105 9.146 1.00 0.00 H new ATOM 0 HD2 LYS A 77 32.675 -4.988 7.777 1.00 0.00 H new ATOM 0 HD3 LYS A 77 33.594 -3.913 6.743 1.00 0.00 H new ATOM 0 HE2 LYS A 77 35.137 -5.046 8.216 1.00 0.00 H new ATOM 0 HE3 LYS A 77 35.089 -3.356 8.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 34.759 -4.119 10.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 33.166 -4.460 10.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 34.348 -5.678 10.176 1.00 0.00 H new ATOM 1099 N MET A 78 27.832 -1.012 6.607 1.00 0.00 N ATOM 1100 CA MET A 78 26.973 -0.359 5.584 1.00 0.00 C ATOM 1101 C MET A 78 26.848 1.162 5.902 1.00 0.00 C ATOM 1102 O MET A 78 26.131 1.562 6.827 1.00 0.00 O ATOM 1103 CB MET A 78 25.616 -1.121 5.474 1.00 0.00 C ATOM 1104 CG MET A 78 24.617 -0.476 4.484 1.00 0.00 C ATOM 1105 SD MET A 78 23.509 -1.667 3.617 1.00 0.00 S ATOM 1106 CE MET A 78 21.930 -0.890 4.125 1.00 0.00 C ATOM 0 H MET A 78 27.312 -1.371 7.408 1.00 0.00 H new ATOM 0 HA MET A 78 27.422 -0.417 4.593 1.00 0.00 H new ATOM 0 HB2 MET A 78 25.810 -2.147 5.163 1.00 0.00 H new ATOM 0 HB3 MET A 78 25.156 -1.169 6.461 1.00 0.00 H new ATOM 0 HG2 MET A 78 24.002 0.242 5.027 1.00 0.00 H new ATOM 0 HG3 MET A 78 25.179 0.086 3.737 1.00 0.00 H new ATOM 0 HE1 MET A 78 21.102 -1.553 3.877 1.00 0.00 H new ATOM 0 HE2 MET A 78 21.942 -0.711 5.200 1.00 0.00 H new ATOM 0 HE3 MET A 78 21.806 0.058 3.601 1.00 0.00 H new ATOM 1116 N ALA A 79 27.519 2.013 5.101 1.00 0.00 N ATOM 1117 CA ALA A 79 27.446 3.492 5.258 1.00 0.00 C ATOM 1118 C ALA A 79 26.148 4.126 4.648 1.00 0.00 C ATOM 1119 O ALA A 79 26.178 4.881 3.671 1.00 0.00 O ATOM 1120 CB ALA A 79 28.761 4.040 4.667 1.00 0.00 C ATOM 0 H ALA A 79 28.120 1.708 4.336 1.00 0.00 H new ATOM 0 HA ALA A 79 27.358 3.771 6.308 1.00 0.00 H new ATOM 0 HB1 ALA A 79 28.773 5.127 4.751 1.00 0.00 H new ATOM 0 HB2 ALA A 79 29.607 3.625 5.215 1.00 0.00 H new ATOM 0 HB3 ALA A 79 28.834 3.756 3.617 1.00 0.00 H new ATOM 1126 N PHE A 80 24.998 3.806 5.264 1.00 0.00 N ATOM 1127 CA PHE A 80 23.658 4.208 4.773 1.00 0.00 C ATOM 1128 C PHE A 80 22.861 4.889 5.928 1.00 0.00 C ATOM 1129 O PHE A 80 22.654 4.308 6.999 1.00 0.00 O ATOM 1130 CB PHE A 80 22.968 2.942 4.194 1.00 0.00 C ATOM 1131 CG PHE A 80 21.617 3.177 3.501 1.00 0.00 C ATOM 1132 CD1 PHE A 80 21.538 3.968 2.348 1.00 0.00 C ATOM 1133 CD2 PHE A 80 20.454 2.588 4.008 1.00 0.00 C ATOM 1134 CE1 PHE A 80 20.314 4.173 1.720 1.00 0.00 C ATOM 1135 CE2 PHE A 80 19.233 2.785 3.372 1.00 0.00 C ATOM 1136 CZ PHE A 80 19.165 3.586 2.236 1.00 0.00 C ATOM 0 H PHE A 80 24.966 3.257 6.123 1.00 0.00 H new ATOM 0 HA PHE A 80 23.716 4.949 3.976 1.00 0.00 H new ATOM 0 HB2 PHE A 80 23.646 2.476 3.479 1.00 0.00 H new ATOM 0 HB3 PHE A 80 22.820 2.228 5.005 1.00 0.00 H new ATOM 0 HD1 PHE A 80 22.432 4.421 1.945 1.00 0.00 H new ATOM 0 HD2 PHE A 80 20.504 1.977 4.897 1.00 0.00 H new ATOM 0 HE1 PHE A 80 20.257 4.787 0.833 1.00 0.00 H new ATOM 0 HE2 PHE A 80 18.340 2.317 3.759 1.00 0.00 H new ATOM 0 HZ PHE A 80 18.214 3.752 1.753 1.00 0.00 H new ATOM 1146 N ALA A 81 22.376 6.117 5.680 1.00 0.00 N ATOM 1147 CA ALA A 81 21.560 6.878 6.668 1.00 0.00 C ATOM 1148 C ALA A 81 20.067 6.447 6.864 1.00 0.00 C ATOM 1149 O ALA A 81 19.453 6.866 7.849 1.00 0.00 O ATOM 1150 CB ALA A 81 21.664 8.355 6.240 1.00 0.00 C ATOM 0 H ALA A 81 22.530 6.614 4.803 1.00 0.00 H new ATOM 0 HA ALA A 81 21.970 6.669 7.656 1.00 0.00 H new ATOM 0 HB1 ALA A 81 21.085 8.974 6.925 1.00 0.00 H new ATOM 0 HB2 ALA A 81 22.708 8.668 6.262 1.00 0.00 H new ATOM 0 HB3 ALA A 81 21.272 8.469 5.229 1.00 0.00 H new ATOM 1156 N GLY A 82 19.493 5.631 5.959 1.00 0.00 N ATOM 1157 CA GLY A 82 18.108 5.120 6.105 1.00 0.00 C ATOM 1158 C GLY A 82 17.033 5.718 5.169 1.00 0.00 C ATOM 1159 O GLY A 82 17.071 6.887 4.776 1.00 0.00 O ATOM 0 H GLY A 82 19.966 5.308 5.115 1.00 0.00 H new ATOM 0 HA2 GLY A 82 18.128 4.041 5.951 1.00 0.00 H new ATOM 0 HA3 GLY A 82 17.792 5.289 7.134 1.00 0.00 H new ATOM 1163 N LEU A 83 16.013 4.899 4.886 1.00 0.00 N ATOM 1164 CA LEU A 83 14.812 5.309 4.112 1.00 0.00 C ATOM 1165 C LEU A 83 13.692 5.946 5.011 1.00 0.00 C ATOM 1166 O LEU A 83 13.417 5.399 6.086 1.00 0.00 O ATOM 1167 CB LEU A 83 14.246 4.066 3.369 1.00 0.00 C ATOM 1168 CG LEU A 83 15.111 3.493 2.219 1.00 0.00 C ATOM 1169 CD1 LEU A 83 14.490 2.206 1.669 1.00 0.00 C ATOM 1170 CD2 LEU A 83 15.267 4.490 1.063 1.00 0.00 C ATOM 0 H LEU A 83 15.988 3.924 5.185 1.00 0.00 H new ATOM 0 HA LEU A 83 15.121 6.079 3.405 1.00 0.00 H new ATOM 0 HB2 LEU A 83 14.086 3.275 4.101 1.00 0.00 H new ATOM 0 HB3 LEU A 83 13.269 4.327 2.963 1.00 0.00 H new ATOM 0 HG LEU A 83 16.095 3.289 2.641 1.00 0.00 H new ATOM 0 HD11 LEU A 83 15.112 1.818 0.862 1.00 0.00 H new ATOM 0 HD12 LEU A 83 14.425 1.464 2.465 1.00 0.00 H new ATOM 0 HD13 LEU A 83 13.491 2.418 1.288 1.00 0.00 H new ATOM 0 HD21 LEU A 83 15.881 4.046 0.280 1.00 0.00 H new ATOM 0 HD22 LEU A 83 14.285 4.735 0.659 1.00 0.00 H new ATOM 0 HD23 LEU A 83 15.746 5.398 1.428 1.00 0.00 H new ATOM 1182 N PRO A 84 12.985 7.047 4.622 1.00 0.00 N ATOM 1183 CA PRO A 84 11.998 7.717 5.514 1.00 0.00 C ATOM 1184 C PRO A 84 10.583 7.054 5.590 1.00 0.00 C ATOM 1185 O PRO A 84 10.117 6.758 6.694 1.00 0.00 O ATOM 1186 CB PRO A 84 12.018 9.155 4.955 1.00 0.00 C ATOM 1187 CG PRO A 84 12.321 9.010 3.459 1.00 0.00 C ATOM 1188 CD PRO A 84 13.239 7.789 3.368 1.00 0.00 C ATOM 0 HA PRO A 84 12.263 7.649 6.569 1.00 0.00 H new ATOM 0 HB2 PRO A 84 11.061 9.651 5.115 1.00 0.00 H new ATOM 0 HB3 PRO A 84 12.777 9.759 5.452 1.00 0.00 H new ATOM 0 HG2 PRO A 84 11.408 8.863 2.882 1.00 0.00 H new ATOM 0 HG3 PRO A 84 12.808 9.902 3.065 1.00 0.00 H new ATOM 0 HD2 PRO A 84 13.008 7.182 2.493 1.00 0.00 H new ATOM 0 HD3 PRO A 84 14.285 8.083 3.285 1.00 0.00 H new ATOM 1196 N LYS A 85 9.900 6.809 4.454 1.00 0.00 N ATOM 1197 CA LYS A 85 8.523 6.247 4.445 1.00 0.00 C ATOM 1198 C LYS A 85 8.525 4.693 4.576 1.00 0.00 C ATOM 1199 O LYS A 85 9.389 3.990 4.037 1.00 0.00 O ATOM 1200 CB LYS A 85 7.793 6.637 3.131 1.00 0.00 C ATOM 1201 CG LYS A 85 7.586 8.145 2.862 1.00 0.00 C ATOM 1202 CD LYS A 85 6.899 8.400 1.506 1.00 0.00 C ATOM 1203 CE LYS A 85 6.686 9.897 1.240 1.00 0.00 C ATOM 1204 NZ LYS A 85 6.034 10.097 -0.068 1.00 0.00 N ATOM 0 H LYS A 85 10.277 6.991 3.524 1.00 0.00 H new ATOM 0 HA LYS A 85 8.002 6.666 5.306 1.00 0.00 H new ATOM 0 HB2 LYS A 85 8.354 6.218 2.295 1.00 0.00 H new ATOM 0 HB3 LYS A 85 6.815 6.156 3.132 1.00 0.00 H new ATOM 0 HG2 LYS A 85 6.983 8.576 3.661 1.00 0.00 H new ATOM 0 HG3 LYS A 85 8.550 8.653 2.881 1.00 0.00 H new ATOM 0 HD2 LYS A 85 7.505 7.973 0.707 1.00 0.00 H new ATOM 0 HD3 LYS A 85 5.937 7.888 1.485 1.00 0.00 H new ATOM 0 HE2 LYS A 85 6.072 10.330 2.030 1.00 0.00 H new ATOM 0 HE3 LYS A 85 7.644 10.417 1.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 5.896 11.114 -0.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 6.634 9.701 -0.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 5.111 9.617 -0.073 1.00 0.00 H new ATOM 1217 N ILE A 86 7.491 4.147 5.235 1.00 0.00 N ATOM 1218 CA ILE A 86 7.136 2.688 5.147 1.00 0.00 C ATOM 1219 C ILE A 86 6.895 2.174 3.679 1.00 0.00 C ATOM 1220 O ILE A 86 7.393 1.108 3.311 1.00 0.00 O ATOM 1221 CB ILE A 86 5.990 2.381 6.180 1.00 0.00 C ATOM 1222 CG1 ILE A 86 5.826 0.878 6.559 1.00 0.00 C ATOM 1223 CG2 ILE A 86 4.618 3.046 5.886 1.00 0.00 C ATOM 1224 CD1 ILE A 86 5.080 -0.050 5.580 1.00 0.00 C ATOM 0 H ILE A 86 6.872 4.683 5.843 1.00 0.00 H new ATOM 0 HA ILE A 86 7.999 2.089 5.438 1.00 0.00 H new ATOM 0 HB ILE A 86 6.374 2.883 7.068 1.00 0.00 H new ATOM 0 HG12 ILE A 86 6.823 0.464 6.714 1.00 0.00 H new ATOM 0 HG13 ILE A 86 5.310 0.832 7.518 1.00 0.00 H new ATOM 0 HG21 ILE A 86 3.904 2.766 6.661 1.00 0.00 H new ATOM 0 HG22 ILE A 86 4.734 4.130 5.874 1.00 0.00 H new ATOM 0 HG23 ILE A 86 4.251 2.710 4.916 1.00 0.00 H new ATOM 0 HD11 ILE A 86 5.051 -1.061 5.987 1.00 0.00 H new ATOM 0 HD12 ILE A 86 4.062 0.314 5.438 1.00 0.00 H new ATOM 0 HD13 ILE A 86 5.599 -0.060 4.621 1.00 0.00 H new ATOM 1236 N GLU A 87 6.246 2.991 2.823 1.00 0.00 N ATOM 1237 CA GLU A 87 6.178 2.766 1.352 1.00 0.00 C ATOM 1238 C GLU A 87 7.547 2.650 0.603 1.00 0.00 C ATOM 1239 O GLU A 87 7.628 1.879 -0.352 1.00 0.00 O ATOM 1240 CB GLU A 87 5.333 3.894 0.693 1.00 0.00 C ATOM 1241 CG GLU A 87 3.859 4.039 1.152 1.00 0.00 C ATOM 1242 CD GLU A 87 3.093 5.103 0.366 1.00 0.00 C ATOM 1243 OE1 GLU A 87 2.537 4.877 -0.704 1.00 0.00 O ATOM 1244 OE2 GLU A 87 3.113 6.321 0.985 1.00 0.00 O ATOM 0 H GLU A 87 5.751 3.829 3.127 1.00 0.00 H new ATOM 0 HA GLU A 87 5.716 1.784 1.248 1.00 0.00 H new ATOM 0 HB2 GLU A 87 5.838 4.843 0.874 1.00 0.00 H new ATOM 0 HB3 GLU A 87 5.336 3.732 -0.385 1.00 0.00 H new ATOM 0 HG2 GLU A 87 3.354 3.079 1.042 1.00 0.00 H new ATOM 0 HG3 GLU A 87 3.837 4.292 2.212 1.00 0.00 H new ATOM 1251 N ASP A 88 8.610 3.381 1.005 1.00 0.00 N ATOM 1252 CA ASP A 88 9.947 3.275 0.343 1.00 0.00 C ATOM 1253 C ASP A 88 10.607 1.862 0.482 1.00 0.00 C ATOM 1254 O ASP A 88 10.882 1.209 -0.528 1.00 0.00 O ATOM 1255 CB ASP A 88 10.898 4.402 0.844 1.00 0.00 C ATOM 1256 CG ASP A 88 10.579 5.858 0.503 1.00 0.00 C ATOM 1257 OD1 ASP A 88 10.337 6.055 -0.827 1.00 0.00 O ATOM 1258 OD2 ASP A 88 10.584 6.751 1.346 1.00 0.00 O ATOM 0 H ASP A 88 8.578 4.047 1.777 1.00 0.00 H new ATOM 0 HA ASP A 88 9.774 3.410 -0.725 1.00 0.00 H new ATOM 0 HB2 ASP A 88 10.954 4.325 1.930 1.00 0.00 H new ATOM 0 HB3 ASP A 88 11.894 4.186 0.457 1.00 0.00 H new ATOM 1263 N ARG A 89 10.816 1.384 1.721 1.00 0.00 N ATOM 1264 CA ARG A 89 11.255 -0.013 1.992 1.00 0.00 C ATOM 1265 C ARG A 89 10.264 -1.152 1.580 1.00 0.00 C ATOM 1266 O ARG A 89 10.723 -2.119 0.970 1.00 0.00 O ATOM 1267 CB ARG A 89 11.811 -0.129 3.433 1.00 0.00 C ATOM 1268 CG ARG A 89 10.924 0.387 4.596 1.00 0.00 C ATOM 1269 CD ARG A 89 11.507 1.613 5.332 1.00 0.00 C ATOM 1270 NE ARG A 89 11.048 1.572 6.753 1.00 0.00 N ATOM 1271 CZ ARG A 89 10.628 2.595 7.487 1.00 0.00 C ATOM 1272 NH1 ARG A 89 10.407 3.787 7.012 1.00 0.00 N ATOM 1273 NH2 ARG A 89 10.450 2.395 8.759 1.00 0.00 N ATOM 0 H ARG A 89 10.689 1.944 2.564 1.00 0.00 H new ATOM 0 HA ARG A 89 12.071 -0.207 1.296 1.00 0.00 H new ATOM 0 HB2 ARG A 89 12.033 -1.179 3.622 1.00 0.00 H new ATOM 0 HB3 ARG A 89 12.758 0.409 3.470 1.00 0.00 H new ATOM 0 HG2 ARG A 89 9.941 0.645 4.203 1.00 0.00 H new ATOM 0 HG3 ARG A 89 10.778 -0.420 5.314 1.00 0.00 H new ATOM 0 HD2 ARG A 89 12.596 1.601 5.285 1.00 0.00 H new ATOM 0 HD3 ARG A 89 11.177 2.535 4.853 1.00 0.00 H new ATOM 0 HE ARG A 89 11.058 0.659 7.208 1.00 0.00 H new ATOM 0 HH11 ARG A 89 10.556 3.977 6.021 1.00 0.00 H new ATOM 0 HH12 ARG A 89 10.084 4.531 7.631 1.00 0.00 H new ATOM 0 HH21 ARG A 89 10.632 1.476 9.161 1.00 0.00 H new ATOM 0 HH22 ARG A 89 10.128 3.158 9.355 1.00 0.00 H new ATOM 1287 N ALA A 90 8.939 -1.051 1.823 1.00 0.00 N ATOM 1288 CA ALA A 90 7.937 -1.987 1.234 1.00 0.00 C ATOM 1289 C ALA A 90 7.913 -2.121 -0.329 1.00 0.00 C ATOM 1290 O ALA A 90 7.949 -3.244 -0.839 1.00 0.00 O ATOM 1291 CB ALA A 90 6.569 -1.602 1.823 1.00 0.00 C ATOM 0 H ALA A 90 8.531 -0.333 2.422 1.00 0.00 H new ATOM 0 HA ALA A 90 8.234 -2.998 1.513 1.00 0.00 H new ATOM 0 HB1 ALA A 90 5.801 -2.262 1.420 1.00 0.00 H new ATOM 0 HB2 ALA A 90 6.599 -1.701 2.908 1.00 0.00 H new ATOM 0 HB3 ALA A 90 6.336 -0.570 1.559 1.00 0.00 H new ATOM 1297 N ASN A 91 7.932 -1.004 -1.081 1.00 0.00 N ATOM 1298 CA ASN A 91 8.146 -1.023 -2.562 1.00 0.00 C ATOM 1299 C ASN A 91 9.537 -1.581 -3.034 1.00 0.00 C ATOM 1300 O ASN A 91 9.573 -2.375 -3.976 1.00 0.00 O ATOM 1301 CB ASN A 91 7.871 0.385 -3.158 1.00 0.00 C ATOM 1302 CG ASN A 91 6.408 0.855 -3.148 1.00 0.00 C ATOM 1303 OD1 ASN A 91 5.457 0.095 -3.301 1.00 0.00 O ATOM 1304 ND2 ASN A 91 6.173 2.139 -3.037 1.00 0.00 N ATOM 0 H ASN A 91 7.802 -0.068 -0.696 1.00 0.00 H new ATOM 0 HA ASN A 91 7.425 -1.742 -2.952 1.00 0.00 H new ATOM 0 HB2 ASN A 91 8.468 1.112 -2.607 1.00 0.00 H new ATOM 0 HB3 ASN A 91 8.227 0.396 -4.188 1.00 0.00 H new ATOM 0 HD21 ASN A 91 5.215 2.488 -3.078 1.00 0.00 H new ATOM 0 HD22 ASN A 91 6.948 2.790 -2.909 1.00 0.00 H new ATOM 1311 N LEU A 92 10.667 -1.220 -2.385 1.00 0.00 N ATOM 1312 CA LEU A 92 11.982 -1.926 -2.555 1.00 0.00 C ATOM 1313 C LEU A 92 11.943 -3.480 -2.332 1.00 0.00 C ATOM 1314 O LEU A 92 12.430 -4.238 -3.174 1.00 0.00 O ATOM 1315 CB LEU A 92 13.002 -1.184 -1.637 1.00 0.00 C ATOM 1316 CG LEU A 92 14.521 -1.501 -1.712 1.00 0.00 C ATOM 1317 CD1 LEU A 92 14.902 -2.889 -1.170 1.00 0.00 C ATOM 1318 CD2 LEU A 92 15.105 -1.296 -3.116 1.00 0.00 C ATOM 0 H LEU A 92 10.706 -0.438 -1.731 1.00 0.00 H new ATOM 0 HA LEU A 92 12.287 -1.872 -3.600 1.00 0.00 H new ATOM 0 HB2 LEU A 92 12.888 -0.117 -1.830 1.00 0.00 H new ATOM 0 HB3 LEU A 92 12.690 -1.357 -0.607 1.00 0.00 H new ATOM 0 HG LEU A 92 14.974 -0.768 -1.045 1.00 0.00 H new ATOM 0 HD11 LEU A 92 15.979 -3.031 -1.259 1.00 0.00 H new ATOM 0 HD12 LEU A 92 14.611 -2.963 -0.122 1.00 0.00 H new ATOM 0 HD13 LEU A 92 14.386 -3.658 -1.745 1.00 0.00 H new ATOM 0 HD21 LEU A 92 16.169 -1.533 -3.106 1.00 0.00 H new ATOM 0 HD22 LEU A 92 14.594 -1.951 -3.822 1.00 0.00 H new ATOM 0 HD23 LEU A 92 14.967 -0.258 -3.419 1.00 0.00 H new ATOM 1330 N ILE A 93 11.335 -3.946 -1.226 1.00 0.00 N ATOM 1331 CA ILE A 93 11.039 -5.390 -0.964 1.00 0.00 C ATOM 1332 C ILE A 93 10.189 -6.065 -2.105 1.00 0.00 C ATOM 1333 O ILE A 93 10.605 -7.104 -2.620 1.00 0.00 O ATOM 1334 CB ILE A 93 10.488 -5.483 0.514 1.00 0.00 C ATOM 1335 CG1 ILE A 93 11.622 -5.274 1.573 1.00 0.00 C ATOM 1336 CG2 ILE A 93 9.710 -6.777 0.849 1.00 0.00 C ATOM 1337 CD1 ILE A 93 11.159 -4.825 2.970 1.00 0.00 C ATOM 0 H ILE A 93 11.026 -3.333 -0.472 1.00 0.00 H new ATOM 0 HA ILE A 93 11.935 -6.009 -1.010 1.00 0.00 H new ATOM 0 HB ILE A 93 9.767 -4.668 0.568 1.00 0.00 H new ATOM 0 HG12 ILE A 93 12.173 -6.209 1.677 1.00 0.00 H new ATOM 0 HG13 ILE A 93 12.322 -4.533 1.187 1.00 0.00 H new ATOM 0 HG21 ILE A 93 9.375 -6.742 1.886 1.00 0.00 H new ATOM 0 HG22 ILE A 93 8.845 -6.862 0.191 1.00 0.00 H new ATOM 0 HG23 ILE A 93 10.361 -7.640 0.707 1.00 0.00 H new ATOM 0 HD11 ILE A 93 12.026 -4.711 3.621 1.00 0.00 H new ATOM 0 HD12 ILE A 93 10.637 -3.871 2.891 1.00 0.00 H new ATOM 0 HD13 ILE A 93 10.486 -5.574 3.388 1.00 0.00 H new ATOM 1349 N ALA A 94 9.075 -5.453 -2.555 1.00 0.00 N ATOM 1350 CA ALA A 94 8.354 -5.883 -3.789 1.00 0.00 C ATOM 1351 C ALA A 94 9.163 -5.907 -5.136 1.00 0.00 C ATOM 1352 O ALA A 94 9.056 -6.881 -5.887 1.00 0.00 O ATOM 1353 CB ALA A 94 7.102 -4.997 -3.897 1.00 0.00 C ATOM 0 H ALA A 94 8.647 -4.655 -2.086 1.00 0.00 H new ATOM 0 HA ALA A 94 8.125 -6.941 -3.664 1.00 0.00 H new ATOM 0 HB1 ALA A 94 6.537 -5.273 -4.787 1.00 0.00 H new ATOM 0 HB2 ALA A 94 6.479 -5.138 -3.014 1.00 0.00 H new ATOM 0 HB3 ALA A 94 7.401 -3.951 -3.966 1.00 0.00 H new ATOM 1359 N TYR A 95 9.993 -4.882 -5.423 1.00 0.00 N ATOM 1360 CA TYR A 95 11.035 -4.914 -6.492 1.00 0.00 C ATOM 1361 C TYR A 95 11.962 -6.172 -6.461 1.00 0.00 C ATOM 1362 O TYR A 95 11.896 -6.965 -7.400 1.00 0.00 O ATOM 1363 CB TYR A 95 11.760 -3.532 -6.435 1.00 0.00 C ATOM 1364 CG TYR A 95 13.056 -3.393 -7.246 1.00 0.00 C ATOM 1365 CD1 TYR A 95 13.003 -3.222 -8.629 1.00 0.00 C ATOM 1366 CD2 TYR A 95 14.301 -3.517 -6.615 1.00 0.00 C ATOM 1367 CE1 TYR A 95 14.177 -3.170 -9.370 1.00 0.00 C ATOM 1368 CE2 TYR A 95 15.472 -3.504 -7.368 1.00 0.00 C ATOM 1369 CZ TYR A 95 15.410 -3.325 -8.745 1.00 0.00 C ATOM 1370 OH TYR A 95 16.556 -3.354 -9.494 1.00 0.00 O ATOM 0 H TYR A 95 9.965 -3.996 -4.918 1.00 0.00 H new ATOM 0 HA TYR A 95 10.578 -5.043 -7.473 1.00 0.00 H new ATOM 0 HB2 TYR A 95 11.062 -2.768 -6.778 1.00 0.00 H new ATOM 0 HB3 TYR A 95 11.987 -3.311 -5.392 1.00 0.00 H new ATOM 0 HD1 TYR A 95 12.048 -3.130 -9.125 1.00 0.00 H new ATOM 0 HD2 TYR A 95 14.352 -3.623 -5.541 1.00 0.00 H new ATOM 0 HE1 TYR A 95 14.132 -3.008 -10.437 1.00 0.00 H new ATOM 0 HE2 TYR A 95 16.428 -3.633 -6.882 1.00 0.00 H new ATOM 0 HH TYR A 95 16.324 -3.367 -10.446 1.00 0.00 H new ATOM 1380 N LEU A 96 12.798 -6.358 -5.426 1.00 0.00 N ATOM 1381 CA LEU A 96 13.791 -7.482 -5.385 1.00 0.00 C ATOM 1382 C LEU A 96 13.336 -8.860 -4.778 1.00 0.00 C ATOM 1383 O LEU A 96 14.126 -9.808 -4.749 1.00 0.00 O ATOM 1384 CB LEU A 96 15.184 -6.958 -4.927 1.00 0.00 C ATOM 1385 CG LEU A 96 15.320 -6.111 -3.634 1.00 0.00 C ATOM 1386 CD1 LEU A 96 14.778 -6.834 -2.394 1.00 0.00 C ATOM 1387 CD2 LEU A 96 16.788 -5.703 -3.428 1.00 0.00 C ATOM 0 H LEU A 96 12.818 -5.756 -4.603 1.00 0.00 H new ATOM 0 HA LEU A 96 13.881 -7.814 -6.419 1.00 0.00 H new ATOM 0 HB2 LEU A 96 15.833 -7.826 -4.813 1.00 0.00 H new ATOM 0 HB3 LEU A 96 15.589 -6.363 -5.746 1.00 0.00 H new ATOM 0 HG LEU A 96 14.709 -5.218 -3.763 1.00 0.00 H new ATOM 0 HD11 LEU A 96 14.899 -6.196 -1.519 1.00 0.00 H new ATOM 0 HD12 LEU A 96 13.721 -7.058 -2.537 1.00 0.00 H new ATOM 0 HD13 LEU A 96 15.329 -7.763 -2.244 1.00 0.00 H new ATOM 0 HD21 LEU A 96 16.876 -5.109 -2.519 1.00 0.00 H new ATOM 0 HD22 LEU A 96 17.405 -6.597 -3.338 1.00 0.00 H new ATOM 0 HD23 LEU A 96 17.125 -5.114 -4.281 1.00 0.00 H new ATOM 1399 N GLU A 97 12.043 -9.041 -4.447 1.00 0.00 N ATOM 1400 CA GLU A 97 11.335 -10.344 -4.640 1.00 0.00 C ATOM 1401 C GLU A 97 11.194 -10.784 -6.142 1.00 0.00 C ATOM 1402 O GLU A 97 11.490 -11.938 -6.461 1.00 0.00 O ATOM 1403 CB GLU A 97 9.940 -10.279 -3.954 1.00 0.00 C ATOM 1404 CG GLU A 97 9.964 -10.340 -2.409 1.00 0.00 C ATOM 1405 CD GLU A 97 8.595 -10.148 -1.763 1.00 0.00 C ATOM 1406 OE1 GLU A 97 7.881 -11.306 -1.710 1.00 0.00 O ATOM 1407 OE2 GLU A 97 8.184 -9.075 -1.331 1.00 0.00 O ATOM 0 H GLU A 97 11.458 -8.309 -4.044 1.00 0.00 H new ATOM 0 HA GLU A 97 11.955 -11.109 -4.173 1.00 0.00 H new ATOM 0 HB2 GLU A 97 9.446 -9.356 -4.258 1.00 0.00 H new ATOM 0 HB3 GLU A 97 9.331 -11.104 -4.325 1.00 0.00 H new ATOM 0 HG2 GLU A 97 10.370 -11.303 -2.099 1.00 0.00 H new ATOM 0 HG3 GLU A 97 10.642 -9.573 -2.035 1.00 0.00 H new ATOM 1414 N GLY A 98 10.749 -9.893 -7.053 1.00 0.00 N ATOM 1415 CA GLY A 98 10.696 -10.183 -8.512 1.00 0.00 C ATOM 1416 C GLY A 98 12.021 -10.038 -9.298 1.00 0.00 C ATOM 1417 O GLY A 98 12.465 -10.996 -9.933 1.00 0.00 O ATOM 0 H GLY A 98 10.418 -8.960 -6.807 1.00 0.00 H new ATOM 0 HA2 GLY A 98 10.332 -11.202 -8.643 1.00 0.00 H new ATOM 0 HA3 GLY A 98 9.958 -9.520 -8.964 1.00 0.00 H new ATOM 1421 N GLN A 99 12.632 -8.842 -9.282 1.00 0.00 N ATOM 1422 CA GLN A 99 13.925 -8.575 -9.968 1.00 0.00 C ATOM 1423 C GLN A 99 15.135 -9.038 -9.095 1.00 0.00 C ATOM 1424 O GLN A 99 15.608 -8.308 -8.216 1.00 0.00 O ATOM 1425 CB GLN A 99 13.976 -7.061 -10.320 1.00 0.00 C ATOM 1426 CG GLN A 99 14.996 -6.725 -11.444 1.00 0.00 C ATOM 1427 CD GLN A 99 15.009 -5.269 -11.918 1.00 0.00 C ATOM 1428 OE1 GLN A 99 15.955 -4.518 -11.697 1.00 0.00 O ATOM 1429 NE2 GLN A 99 13.957 -4.808 -12.555 1.00 0.00 N ATOM 0 H GLN A 99 12.252 -8.029 -8.797 1.00 0.00 H new ATOM 0 HA GLN A 99 13.997 -9.153 -10.889 1.00 0.00 H new ATOM 0 HB2 GLN A 99 12.984 -6.733 -10.630 1.00 0.00 H new ATOM 0 HB3 GLN A 99 14.233 -6.495 -9.424 1.00 0.00 H new ATOM 0 HG2 GLN A 99 15.995 -6.981 -11.091 1.00 0.00 H new ATOM 0 HG3 GLN A 99 14.787 -7.365 -12.301 1.00 0.00 H new ATOM 0 HE21 GLN A 99 13.165 -5.423 -12.744 1.00 0.00 H new ATOM 0 HE22 GLN A 99 13.932 -3.835 -12.861 1.00 0.00 H new ATOM 1438 N GLN A 100 15.596 -10.273 -9.334 1.00 0.00 N ATOM 1439 CA GLN A 100 16.640 -10.917 -8.500 1.00 0.00 C ATOM 1440 C GLN A 100 18.000 -10.878 -9.235 1.00 0.00 C ATOM 1441 O GLN A 100 18.789 -9.945 -8.962 1.00 0.00 O ATOM 1442 CB GLN A 100 16.186 -12.348 -8.100 1.00 0.00 C ATOM 1443 CG GLN A 100 14.921 -12.423 -7.200 1.00 0.00 C ATOM 1444 CD GLN A 100 14.611 -13.810 -6.622 1.00 0.00 C ATOM 1445 OE1 GLN A 100 15.479 -14.623 -6.318 1.00 0.00 O ATOM 1446 NE2 GLN A 100 13.359 -14.117 -6.391 1.00 0.00 N ATOM 1447 OXT GLN A 100 18.311 -11.781 -10.048 1.00 0.00 O ATOM 0 H GLN A 100 15.264 -10.856 -10.102 1.00 0.00 H new ATOM 0 HA GLN A 100 16.779 -10.366 -7.570 1.00 0.00 H new ATOM 0 HB2 GLN A 100 15.997 -12.918 -9.010 1.00 0.00 H new ATOM 0 HB3 GLN A 100 17.009 -12.839 -7.581 1.00 0.00 H new ATOM 0 HG2 GLN A 100 15.040 -11.721 -6.374 1.00 0.00 H new ATOM 0 HG3 GLN A 100 14.061 -12.089 -7.781 1.00 0.00 H new ATOM 0 HE21 GLN A 100 12.619 -13.458 -6.635 1.00 0.00 H new ATOM 0 HE22 GLN A 100 13.124 -15.015 -5.968 1.00 0.00 H new TER 1456 GLN A 100 HETATM 1457 FE HEC A 101 23.757 -1.819 1.514 1.00 0.00 FE HETATM 1458 CHA HEC A 101 24.823 -4.633 3.172 1.00 0.00 C HETATM 1459 CHB HEC A 101 20.726 -3.519 1.480 1.00 0.00 C HETATM 1460 CHC HEC A 101 22.396 0.972 0.443 1.00 0.00 C HETATM 1461 CHD HEC A 101 26.638 -0.480 1.330 1.00 0.00 C HETATM 1462 NA HEC A 101 22.950 -3.489 2.293 1.00 0.00 N HETATM 1463 C1A HEC A 101 23.524 -4.520 2.883 1.00 0.00 C HETATM 1464 C2A HEC A 101 22.747 -5.595 3.179 1.00 0.00 C HETATM 1465 C3A HEC A 101 21.552 -5.249 2.734 1.00 0.00 C HETATM 1466 C4A HEC A 101 21.754 -4.038 2.152 1.00 0.00 C HETATM 1467 CMA HEC A 101 20.267 -6.105 2.830 1.00 0.00 C HETATM 1468 CAA HEC A 101 23.047 -6.963 3.840 1.00 0.00 C HETATM 1469 CBA HEC A 101 23.170 -8.107 2.800 1.00 0.00 C HETATM 1470 CGA HEC A 101 23.328 -9.518 3.372 1.00 0.00 C HETATM 1471 O1A HEC A 101 22.726 -10.463 2.810 1.00 0.00 O HETATM 1472 O2A HEC A 101 24.054 -9.700 4.374 1.00 0.00 O HETATM 1473 NB HEC A 101 21.997 -1.434 1.017 1.00 0.00 N HETATM 1474 C1B HEC A 101 20.803 -2.197 0.865 1.00 0.00 C HETATM 1475 C2B HEC A 101 19.757 -1.546 0.220 1.00 0.00 C HETATM 1476 C3B HEC A 101 20.166 -0.239 0.054 1.00 0.00 C HETATM 1477 C4B HEC A 101 21.485 -0.186 0.554 1.00 0.00 C HETATM 1478 CMB HEC A 101 18.443 -2.165 -0.270 1.00 0.00 C HETATM 1479 CAB HEC A 101 19.375 0.861 -0.696 1.00 0.00 C HETATM 1480 CBB HEC A 101 18.030 1.203 -0.028 1.00 0.00 C HETATM 1481 NC HEC A 101 24.340 -0.073 1.210 1.00 0.00 N HETATM 1482 C1C HEC A 101 23.711 0.934 0.696 1.00 0.00 C HETATM 1483 C2C HEC A 101 24.502 1.973 0.337 1.00 0.00 C HETATM 1484 C3C HEC A 101 25.747 1.534 0.526 1.00 0.00 C HETATM 1485 C4C HEC A 101 25.576 0.291 1.044 1.00 0.00 C HETATM 1486 CMC HEC A 101 24.157 3.348 -0.258 1.00 0.00 C HETATM 1487 CAC HEC A 101 27.050 2.249 0.054 1.00 0.00 C HETATM 1488 CBC HEC A 101 27.296 3.652 0.635 1.00 0.00 C HETATM 1489 ND HEC A 101 25.380 -2.529 1.959 1.00 0.00 N HETATM 1490 C1D HEC A 101 26.606 -1.849 1.873 1.00 0.00 C HETATM 1491 C2D HEC A 101 27.684 -2.504 2.490 1.00 0.00 C HETATM 1492 C3D HEC A 101 27.172 -3.659 3.041 1.00 0.00 C HETATM 1493 C4D HEC A 101 25.806 -3.644 2.728 1.00 0.00 C HETATM 1494 CMD HEC A 101 29.126 -2.004 2.612 1.00 0.00 C HETATM 1495 CAD HEC A 101 27.930 -4.700 3.888 1.00 0.00 C HETATM 1496 CBD HEC A 101 27.658 -4.497 5.394 1.00 0.00 C HETATM 1497 CGD HEC A 101 28.508 -5.270 6.395 1.00 0.00 C HETATM 1498 O1D HEC A 101 28.195 -5.154 7.602 1.00 0.00 O HETATM 1499 O2D HEC A 101 29.486 -5.955 6.023 1.00 0.00 O HETATM 0 HMD3 HEC A 101 29.543 -1.851 1.617 1.00 0.00 H new HETATM 0 HMD2 HEC A 101 29.139 -1.062 3.160 1.00 0.00 H new HETATM 0 HMD1 HEC A 101 29.723 -2.743 3.146 1.00 0.00 H new HETATM 0 HMC3 HEC A 101 23.647 3.214 -1.212 1.00 0.00 H new HETATM 0 HMC2 HEC A 101 23.506 3.889 0.429 1.00 0.00 H new HETATM 0 HMC1 HEC A 101 25.073 3.918 -0.413 1.00 0.00 H new HETATM 0 HMB3 HEC A 101 18.658 -2.946 -0.999 1.00 0.00 H new HETATM 0 HMB2 HEC A 101 17.906 -2.595 0.575 1.00 0.00 H new HETATM 0 HMB1 HEC A 101 17.829 -1.394 -0.735 1.00 0.00 H new HETATM 0 HMA3 HEC A 101 20.416 -7.046 2.301 1.00 0.00 H new HETATM 0 HMA2 HEC A 101 20.043 -6.309 3.877 1.00 0.00 H new HETATM 0 HMA1 HEC A 101 19.435 -5.564 2.380 1.00 0.00 H new HETATM 0 HBD2 HEC A 101 27.772 -3.435 5.612 1.00 0.00 H new HETATM 0 HBD1 HEC A 101 26.614 -4.750 5.580 1.00 0.00 H new HETATM 0 HBC3 HEC A 101 26.472 4.310 0.358 1.00 0.00 H new HETATM 0 HBC2 HEC A 101 27.361 3.590 1.721 1.00 0.00 H new HETATM 0 HBC1 HEC A 101 28.229 4.052 0.238 1.00 0.00 H new HETATM 0 HBB3 HEC A 101 17.403 0.312 0.005 1.00 0.00 H new HETATM 0 HBB2 HEC A 101 18.208 1.560 0.987 1.00 0.00 H new HETATM 0 HBB1 HEC A 101 17.526 1.980 -0.602 1.00 0.00 H new HETATM 0 HBA2 HEC A 101 22.284 -8.091 2.165 1.00 0.00 H new HETATM 0 HBA1 HEC A 101 24.026 -7.898 2.159 1.00 0.00 H new HETATM 0 HAD2 HEC A 101 27.626 -5.704 3.593 1.00 0.00 H new HETATM 0 HAD1 HEC A 101 29.000 -4.621 3.695 1.00 0.00 H new HETATM 0 HAA2 HEC A 101 23.973 -6.893 4.410 1.00 0.00 H new HETATM 0 HAA1 HEC A 101 22.254 -7.203 4.548 1.00 0.00 H new HETATM 0 HHD HEC A 101 27.622 -0.050 1.142 1.00 0.00 H new HETATM 0 HHC HEC A 101 21.968 1.925 0.133 1.00 0.00 H new HETATM 0 HHB HEC A 101 19.806 -4.096 1.387 1.00 0.00 H new HETATM 0 HHA HEC A 101 25.161 -5.488 3.757 1.00 0.00 H new HETATM 0 H2D HEC A 101 30.173 -5.951 6.722 1.00 0.00 H new HETATM 0 H2A HEC A 101 24.986 -9.505 4.142 1.00 0.00 H new