USER MOD reduce.3.24.130724 H: found=0, std=0, add=758, rem=0, adj=13 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 NoAdj-H: A 101 HEC H2D : A 101 HEC O2D : A 101 HEC CGD :(short bond) USER MOD Set 1.1: A 45 ASN : amide:sc= 0.265 K(o=0.54,f=0) USER MOD Set 1.2: A 77 LYS NZ :NH3+ -155:sc= 0.279 (180deg=-0.00649) USER MOD Set 2.1: A 50 MET CE :methyl -163:sc= -0.124 (180deg=-0.412) USER MOD Set 2.2: A 76 THR OG1 : rot -170:sc= 0.0529 USER MOD Set 3.1: A 46 TYR OH : rot -42:sc= 0.308 USER MOD Set 3.2: A 101 HEC O2A : rot -130:sc= 0.298 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.156) 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 29 HIS : no HE2:sc= -0.0376 X(o=-0.038,f=-0.063) USER MOD Single : A 31 ASN : amide:sc= 1.39 K(o=1.4,f=-3.5!) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot -81:sc= 0.716 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 HIS : no HD1:sc= -0.226 X(o=-0.23,f=-0.22) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.128 USER MOD Single : A 63 GLN : amide:sc= -0.874 X(o=-0.87,f=-0.81) USER MOD Single : A 67 THR OG1 : rot -98:sc= 0.766 USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 MET CE :methyl -174:sc= -0.0115 (180deg=-0.0141) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 ASN : amide:sc= 0.912 K(o=0.91,f=-5.1!) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 100 GLN : amide:sc= 0.624 K(o=0.62,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.203 1.276 -1.810 1.00 0.00 N ATOM 2 CA MET A 1 2.719 0.467 -0.675 1.00 0.00 C ATOM 3 C MET A 1 3.854 -0.498 -1.129 1.00 0.00 C ATOM 4 O MET A 1 5.022 -0.201 -0.874 1.00 0.00 O ATOM 5 CB MET A 1 1.555 -0.191 0.121 1.00 0.00 C ATOM 6 CG MET A 1 0.682 0.786 0.934 1.00 0.00 C ATOM 7 SD MET A 1 -0.594 -0.134 1.814 1.00 0.00 S ATOM 8 CE MET A 1 -1.428 1.227 2.648 1.00 0.00 C ATOM 0 H1 MET A 1 1.449 1.907 -1.472 1.00 0.00 H new ATOM 0 H2 MET A 1 2.976 1.844 -2.211 1.00 0.00 H new ATOM 0 H3 MET A 1 1.822 0.643 -2.543 1.00 0.00 H new ATOM 0 HA MET A 1 3.204 1.126 0.045 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.915 -0.728 -0.579 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.975 -0.931 0.802 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.300 1.339 1.642 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.224 1.519 0.270 1.00 0.00 H new ATOM 0 HE1 MET A 1 -2.253 0.837 3.244 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.722 1.742 3.299 1.00 0.00 H new ATOM 0 HE3 MET A 1 -1.815 1.926 1.906 1.00 0.00 H new ATOM 19 N ALA A 2 3.531 -1.630 -1.783 1.00 0.00 N ATOM 20 CA ALA A 2 4.544 -2.574 -2.335 1.00 0.00 C ATOM 21 C ALA A 2 4.511 -2.620 -3.894 1.00 0.00 C ATOM 22 O ALA A 2 4.025 -3.576 -4.508 1.00 0.00 O ATOM 23 CB ALA A 2 4.283 -3.948 -1.686 1.00 0.00 C ATOM 0 H ALA A 2 2.568 -1.922 -1.947 1.00 0.00 H new ATOM 0 HA ALA A 2 5.553 -2.241 -2.094 1.00 0.00 H new ATOM 0 HB1 ALA A 2 5.005 -4.672 -2.064 1.00 0.00 H new ATOM 0 HB2 ALA A 2 4.385 -3.865 -0.604 1.00 0.00 H new ATOM 0 HB3 ALA A 2 3.274 -4.280 -1.931 1.00 0.00 H new ATOM 29 N ASP A 3 5.048 -1.573 -4.540 1.00 0.00 N ATOM 30 CA ASP A 3 5.021 -1.429 -6.018 1.00 0.00 C ATOM 31 C ASP A 3 6.462 -1.672 -6.591 1.00 0.00 C ATOM 32 O ASP A 3 7.303 -0.773 -6.468 1.00 0.00 O ATOM 33 CB ASP A 3 4.452 -0.035 -6.404 1.00 0.00 C ATOM 34 CG ASP A 3 2.981 0.199 -6.051 1.00 0.00 C ATOM 35 OD1 ASP A 3 2.133 -0.354 -6.969 1.00 0.00 O ATOM 36 OD2 ASP A 3 2.617 0.813 -5.053 1.00 0.00 O ATOM 0 H ASP A 3 5.513 -0.801 -4.062 1.00 0.00 H new ATOM 0 HA ASP A 3 4.361 -2.176 -6.460 1.00 0.00 H new ATOM 0 HB2 ASP A 3 5.051 0.731 -5.912 1.00 0.00 H new ATOM 0 HB3 ASP A 3 4.576 0.104 -7.478 1.00 0.00 H new ATOM 41 N PRO A 4 6.803 -2.822 -7.248 1.00 0.00 N ATOM 42 CA PRO A 4 8.172 -3.061 -7.804 1.00 0.00 C ATOM 43 C PRO A 4 8.641 -2.149 -8.990 1.00 0.00 C ATOM 44 O PRO A 4 9.830 -1.838 -9.094 1.00 0.00 O ATOM 45 CB PRO A 4 8.129 -4.565 -8.141 1.00 0.00 C ATOM 46 CG PRO A 4 6.654 -4.919 -8.340 1.00 0.00 C ATOM 47 CD PRO A 4 5.883 -3.962 -7.431 1.00 0.00 C ATOM 0 HA PRO A 4 8.940 -2.781 -7.083 1.00 0.00 H new ATOM 0 HB2 PRO A 4 8.705 -4.778 -9.042 1.00 0.00 H new ATOM 0 HB3 PRO A 4 8.566 -5.156 -7.336 1.00 0.00 H new ATOM 0 HG2 PRO A 4 6.357 -4.797 -9.382 1.00 0.00 H new ATOM 0 HG3 PRO A 4 6.459 -5.958 -8.073 1.00 0.00 H new ATOM 0 HD2 PRO A 4 4.944 -3.648 -7.887 1.00 0.00 H new ATOM 0 HD3 PRO A 4 5.634 -4.430 -6.479 1.00 0.00 H new ATOM 55 N ALA A 5 7.702 -1.662 -9.820 1.00 0.00 N ATOM 56 CA ALA A 5 7.947 -0.540 -10.772 1.00 0.00 C ATOM 57 C ALA A 5 8.248 0.875 -10.160 1.00 0.00 C ATOM 58 O ALA A 5 8.895 1.689 -10.821 1.00 0.00 O ATOM 59 CB ALA A 5 6.729 -0.502 -11.713 1.00 0.00 C ATOM 0 H ALA A 5 6.750 -2.027 -9.858 1.00 0.00 H new ATOM 0 HA ALA A 5 8.885 -0.753 -11.284 1.00 0.00 H new ATOM 0 HB1 ALA A 5 6.853 0.304 -12.436 1.00 0.00 H new ATOM 0 HB2 ALA A 5 6.647 -1.452 -12.240 1.00 0.00 H new ATOM 0 HB3 ALA A 5 5.824 -0.331 -11.130 1.00 0.00 H new ATOM 65 N ALA A 6 7.834 1.162 -8.912 1.00 0.00 N ATOM 66 CA ALA A 6 8.448 2.246 -8.092 1.00 0.00 C ATOM 67 C ALA A 6 9.787 1.868 -7.364 1.00 0.00 C ATOM 68 O ALA A 6 10.676 2.715 -7.248 1.00 0.00 O ATOM 69 CB ALA A 6 7.364 2.728 -7.113 1.00 0.00 C ATOM 0 H ALA A 6 7.078 0.664 -8.442 1.00 0.00 H new ATOM 0 HA ALA A 6 8.769 3.043 -8.763 1.00 0.00 H new ATOM 0 HB1 ALA A 6 7.767 3.525 -6.488 1.00 0.00 H new ATOM 0 HB2 ALA A 6 6.508 3.104 -7.674 1.00 0.00 H new ATOM 0 HB3 ALA A 6 7.048 1.897 -6.482 1.00 0.00 H new ATOM 75 N GLY A 7 9.968 0.611 -6.910 1.00 0.00 N ATOM 76 CA GLY A 7 11.255 0.118 -6.343 1.00 0.00 C ATOM 77 C GLY A 7 12.514 0.092 -7.241 1.00 0.00 C ATOM 78 O GLY A 7 13.624 0.132 -6.712 1.00 0.00 O ATOM 0 H GLY A 7 9.232 -0.095 -6.923 1.00 0.00 H new ATOM 0 HA2 GLY A 7 11.486 0.731 -5.472 1.00 0.00 H new ATOM 0 HA3 GLY A 7 11.088 -0.897 -5.983 1.00 0.00 H new ATOM 82 N GLU A 8 12.349 0.062 -8.572 1.00 0.00 N ATOM 83 CA GLU A 8 13.467 0.274 -9.544 1.00 0.00 C ATOM 84 C GLU A 8 14.152 1.679 -9.498 1.00 0.00 C ATOM 85 O GLU A 8 15.381 1.778 -9.459 1.00 0.00 O ATOM 86 CB GLU A 8 12.998 -0.160 -10.963 1.00 0.00 C ATOM 87 CG GLU A 8 11.950 0.689 -11.731 1.00 0.00 C ATOM 88 CD GLU A 8 12.492 1.842 -12.579 1.00 0.00 C ATOM 89 OE1 GLU A 8 13.450 1.748 -13.340 1.00 0.00 O ATOM 90 OE2 GLU A 8 11.776 2.987 -12.413 1.00 0.00 O ATOM 0 H GLU A 8 11.447 -0.108 -9.017 1.00 0.00 H new ATOM 0 HA GLU A 8 14.289 -0.370 -9.230 1.00 0.00 H new ATOM 0 HB2 GLU A 8 13.886 -0.224 -11.592 1.00 0.00 H new ATOM 0 HB3 GLU A 8 12.596 -1.169 -10.876 1.00 0.00 H new ATOM 0 HG2 GLU A 8 11.384 0.024 -12.383 1.00 0.00 H new ATOM 0 HG3 GLU A 8 11.247 1.100 -11.006 1.00 0.00 H new ATOM 97 N LYS A 9 13.342 2.746 -9.451 1.00 0.00 N ATOM 98 CA LYS A 9 13.819 4.131 -9.177 1.00 0.00 C ATOM 99 C LYS A 9 14.230 4.423 -7.693 1.00 0.00 C ATOM 100 O LYS A 9 15.203 5.152 -7.482 1.00 0.00 O ATOM 101 CB LYS A 9 12.844 5.173 -9.792 1.00 0.00 C ATOM 102 CG LYS A 9 11.343 5.029 -9.454 1.00 0.00 C ATOM 103 CD LYS A 9 10.507 6.226 -9.953 1.00 0.00 C ATOM 104 CE LYS A 9 9.001 6.135 -9.645 1.00 0.00 C ATOM 105 NZ LYS A 9 8.315 5.174 -10.533 1.00 0.00 N ATOM 0 H LYS A 9 12.335 2.685 -9.600 1.00 0.00 H new ATOM 0 HA LYS A 9 14.776 4.232 -9.690 1.00 0.00 H new ATOM 0 HB2 LYS A 9 13.167 6.165 -9.475 1.00 0.00 H new ATOM 0 HB3 LYS A 9 12.950 5.135 -10.876 1.00 0.00 H new ATOM 0 HG2 LYS A 9 10.960 4.111 -9.900 1.00 0.00 H new ATOM 0 HG3 LYS A 9 11.225 4.932 -8.375 1.00 0.00 H new ATOM 0 HD2 LYS A 9 10.901 7.138 -9.505 1.00 0.00 H new ATOM 0 HD3 LYS A 9 10.638 6.318 -11.031 1.00 0.00 H new ATOM 0 HE2 LYS A 9 8.860 5.834 -8.607 1.00 0.00 H new ATOM 0 HE3 LYS A 9 8.547 7.120 -9.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 7.352 5.001 -10.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 8.265 5.565 -11.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 8.844 4.279 -10.550 1.00 0.00 H new ATOM 118 N VAL A 10 13.589 3.807 -6.676 1.00 0.00 N ATOM 119 CA VAL A 10 14.156 3.731 -5.287 1.00 0.00 C ATOM 120 C VAL A 10 15.558 3.011 -5.211 1.00 0.00 C ATOM 121 O VAL A 10 16.455 3.532 -4.539 1.00 0.00 O ATOM 122 CB VAL A 10 13.117 3.148 -4.267 1.00 0.00 C ATOM 123 CG1 VAL A 10 13.657 3.107 -2.822 1.00 0.00 C ATOM 124 CG2 VAL A 10 11.773 3.911 -4.187 1.00 0.00 C ATOM 0 H VAL A 10 12.681 3.353 -6.777 1.00 0.00 H new ATOM 0 HA VAL A 10 14.356 4.760 -4.988 1.00 0.00 H new ATOM 0 HB VAL A 10 12.946 2.150 -4.669 1.00 0.00 H new ATOM 0 HG11 VAL A 10 12.895 2.695 -2.160 1.00 0.00 H new ATOM 0 HG12 VAL A 10 14.548 2.480 -2.784 1.00 0.00 H new ATOM 0 HG13 VAL A 10 13.910 4.117 -2.499 1.00 0.00 H new ATOM 0 HG21 VAL A 10 11.125 3.430 -3.455 1.00 0.00 H new ATOM 0 HG22 VAL A 10 11.957 4.942 -3.886 1.00 0.00 H new ATOM 0 HG23 VAL A 10 11.289 3.899 -5.164 1.00 0.00 H new ATOM 134 N PHE A 11 15.784 1.872 -5.906 1.00 0.00 N ATOM 135 CA PHE A 11 17.139 1.255 -6.045 1.00 0.00 C ATOM 136 C PHE A 11 18.301 2.170 -6.574 1.00 0.00 C ATOM 137 O PHE A 11 19.457 1.889 -6.250 1.00 0.00 O ATOM 138 CB PHE A 11 17.021 -0.064 -6.867 1.00 0.00 C ATOM 139 CG PHE A 11 18.243 -0.997 -6.732 1.00 0.00 C ATOM 140 CD1 PHE A 11 18.363 -1.807 -5.601 1.00 0.00 C ATOM 141 CD2 PHE A 11 19.294 -0.952 -7.657 1.00 0.00 C ATOM 142 CE1 PHE A 11 19.524 -2.542 -5.378 1.00 0.00 C ATOM 143 CE2 PHE A 11 20.460 -1.684 -7.430 1.00 0.00 C ATOM 144 CZ PHE A 11 20.579 -2.466 -6.283 1.00 0.00 C ATOM 0 H PHE A 11 15.047 1.354 -6.384 1.00 0.00 H new ATOM 0 HA PHE A 11 17.460 1.058 -5.022 1.00 0.00 H new ATOM 0 HB2 PHE A 11 16.129 -0.602 -6.546 1.00 0.00 H new ATOM 0 HB3 PHE A 11 16.882 0.186 -7.919 1.00 0.00 H new ATOM 0 HD1 PHE A 11 17.549 -1.864 -4.894 1.00 0.00 H new ATOM 0 HD2 PHE A 11 19.202 -0.349 -8.548 1.00 0.00 H new ATOM 0 HE1 PHE A 11 19.606 -3.171 -4.504 1.00 0.00 H new ATOM 0 HE2 PHE A 11 21.270 -1.644 -8.143 1.00 0.00 H new ATOM 0 HZ PHE A 11 21.491 -3.014 -6.096 1.00 0.00 H new ATOM 154 N GLY A 12 18.041 3.276 -7.298 1.00 0.00 N ATOM 155 CA GLY A 12 19.077 4.319 -7.552 1.00 0.00 C ATOM 156 C GLY A 12 19.848 4.947 -6.351 1.00 0.00 C ATOM 157 O GLY A 12 21.016 5.308 -6.498 1.00 0.00 O ATOM 0 H GLY A 12 17.133 3.477 -7.718 1.00 0.00 H new ATOM 0 HA2 GLY A 12 19.818 3.886 -8.225 1.00 0.00 H new ATOM 0 HA3 GLY A 12 18.594 5.134 -8.092 1.00 0.00 H new ATOM 161 N LYS A 13 19.220 5.021 -5.167 1.00 0.00 N ATOM 162 CA LYS A 13 19.929 5.271 -3.870 1.00 0.00 C ATOM 163 C LYS A 13 20.863 4.110 -3.357 1.00 0.00 C ATOM 164 O LYS A 13 21.864 4.383 -2.689 1.00 0.00 O ATOM 165 CB LYS A 13 18.853 5.649 -2.810 1.00 0.00 C ATOM 166 CG LYS A 13 18.193 7.039 -3.004 1.00 0.00 C ATOM 167 CD LYS A 13 16.904 7.285 -2.190 1.00 0.00 C ATOM 168 CE LYS A 13 15.675 6.551 -2.757 1.00 0.00 C ATOM 169 NZ LYS A 13 14.429 7.015 -2.110 1.00 0.00 N ATOM 0 H LYS A 13 18.211 4.912 -5.065 1.00 0.00 H new ATOM 0 HA LYS A 13 20.633 6.085 -4.044 1.00 0.00 H new ATOM 0 HB2 LYS A 13 18.072 4.889 -2.822 1.00 0.00 H new ATOM 0 HB3 LYS A 13 19.313 5.618 -1.822 1.00 0.00 H new ATOM 0 HG2 LYS A 13 18.920 7.807 -2.740 1.00 0.00 H new ATOM 0 HG3 LYS A 13 17.964 7.168 -4.062 1.00 0.00 H new ATOM 0 HD2 LYS A 13 17.066 6.965 -1.161 1.00 0.00 H new ATOM 0 HD3 LYS A 13 16.699 8.355 -2.163 1.00 0.00 H new ATOM 0 HE2 LYS A 13 15.613 6.717 -3.832 1.00 0.00 H new ATOM 0 HE3 LYS A 13 15.788 5.477 -2.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 13.618 6.503 -2.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 14.481 6.834 -1.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 14.311 8.035 -2.275 1.00 0.00 H new ATOM 182 N CYS A 14 20.549 2.837 -3.658 1.00 0.00 N ATOM 183 CA CYS A 14 21.434 1.672 -3.386 1.00 0.00 C ATOM 184 C CYS A 14 22.536 1.361 -4.467 1.00 0.00 C ATOM 185 O CYS A 14 23.603 0.851 -4.109 1.00 0.00 O ATOM 186 CB CYS A 14 20.497 0.453 -3.202 1.00 0.00 C ATOM 187 SG CYS A 14 19.000 0.797 -2.228 1.00 0.00 S ATOM 0 H CYS A 14 19.668 2.578 -4.101 1.00 0.00 H new ATOM 0 HA CYS A 14 22.024 1.910 -2.501 1.00 0.00 H new ATOM 0 HB2 CYS A 14 20.200 0.087 -4.185 1.00 0.00 H new ATOM 0 HB3 CYS A 14 21.055 -0.349 -2.718 1.00 0.00 H new ATOM 192 N LYS A 15 22.283 1.624 -5.772 1.00 0.00 N ATOM 193 CA LYS A 15 23.120 1.106 -6.902 1.00 0.00 C ATOM 194 C LYS A 15 24.625 1.519 -7.013 1.00 0.00 C ATOM 195 O LYS A 15 25.419 0.761 -7.575 1.00 0.00 O ATOM 196 CB LYS A 15 22.365 1.307 -8.246 1.00 0.00 C ATOM 197 CG LYS A 15 22.405 2.714 -8.896 1.00 0.00 C ATOM 198 CD LYS A 15 21.565 2.833 -10.186 1.00 0.00 C ATOM 199 CE LYS A 15 22.165 2.100 -11.399 1.00 0.00 C ATOM 200 NZ LYS A 15 21.305 2.298 -12.582 1.00 0.00 N ATOM 0 H LYS A 15 21.498 2.198 -6.079 1.00 0.00 H new ATOM 0 HA LYS A 15 23.237 0.054 -6.644 1.00 0.00 H new ATOM 0 HB2 LYS A 15 22.768 0.594 -8.966 1.00 0.00 H new ATOM 0 HB3 LYS A 15 21.320 1.042 -8.086 1.00 0.00 H new ATOM 0 HG2 LYS A 15 22.048 3.447 -8.173 1.00 0.00 H new ATOM 0 HG3 LYS A 15 23.440 2.969 -9.124 1.00 0.00 H new ATOM 0 HD2 LYS A 15 20.567 2.438 -9.994 1.00 0.00 H new ATOM 0 HD3 LYS A 15 21.448 3.888 -10.434 1.00 0.00 H new ATOM 0 HE2 LYS A 15 23.168 2.475 -11.601 1.00 0.00 H new ATOM 0 HE3 LYS A 15 22.260 1.036 -11.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 21.716 1.800 -13.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 20.356 1.920 -12.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 21.236 3.314 -12.795 1.00 0.00 H new ATOM 213 N ALA A 16 25.024 2.690 -6.483 1.00 0.00 N ATOM 214 CA ALA A 16 26.463 3.058 -6.341 1.00 0.00 C ATOM 215 C ALA A 16 27.333 2.117 -5.437 1.00 0.00 C ATOM 216 O ALA A 16 28.515 1.914 -5.723 1.00 0.00 O ATOM 217 CB ALA A 16 26.497 4.519 -5.855 1.00 0.00 C ATOM 0 H ALA A 16 24.378 3.403 -6.144 1.00 0.00 H new ATOM 0 HA ALA A 16 26.937 2.933 -7.315 1.00 0.00 H new ATOM 0 HB1 ALA A 16 27.532 4.838 -5.735 1.00 0.00 H new ATOM 0 HB2 ALA A 16 26.003 5.158 -6.587 1.00 0.00 H new ATOM 0 HB3 ALA A 16 25.980 4.596 -4.899 1.00 0.00 H new ATOM 223 N CYS A 17 26.740 1.533 -4.381 1.00 0.00 N ATOM 224 CA CYS A 17 27.362 0.434 -3.607 1.00 0.00 C ATOM 225 C CYS A 17 26.994 -1.021 -4.061 1.00 0.00 C ATOM 226 O CYS A 17 27.887 -1.873 -4.071 1.00 0.00 O ATOM 227 CB CYS A 17 26.987 0.671 -2.134 1.00 0.00 C ATOM 228 SG CYS A 17 27.499 2.314 -1.545 1.00 0.00 S ATOM 0 H CYS A 17 25.819 1.805 -4.038 1.00 0.00 H new ATOM 0 HA CYS A 17 28.437 0.472 -3.781 1.00 0.00 H new ATOM 0 HB2 CYS A 17 25.909 0.565 -2.015 1.00 0.00 H new ATOM 0 HB3 CYS A 17 27.453 -0.096 -1.515 1.00 0.00 H new ATOM 233 N HIS A 18 25.716 -1.329 -4.362 1.00 0.00 N ATOM 234 CA HIS A 18 25.234 -2.727 -4.574 1.00 0.00 C ATOM 235 C HIS A 18 24.810 -3.017 -6.048 1.00 0.00 C ATOM 236 O HIS A 18 24.094 -2.222 -6.666 1.00 0.00 O ATOM 237 CB HIS A 18 24.002 -2.965 -3.664 1.00 0.00 C ATOM 238 CG HIS A 18 24.268 -3.105 -2.171 1.00 0.00 C ATOM 239 ND1 HIS A 18 24.622 -4.290 -1.583 1.00 0.00 N ATOM 240 CD2 HIS A 18 23.891 -2.185 -1.191 1.00 0.00 C ATOM 241 CE1 HIS A 18 24.360 -4.016 -0.276 1.00 0.00 C ATOM 242 NE2 HIS A 18 23.864 -2.769 0.089 1.00 0.00 N ATOM 0 H HIS A 18 24.985 -0.626 -4.467 1.00 0.00 H new ATOM 0 HA HIS A 18 26.063 -3.392 -4.334 1.00 0.00 H new ATOM 0 HB2 HIS A 18 23.307 -2.138 -3.809 1.00 0.00 H new ATOM 0 HB3 HIS A 18 23.497 -3.869 -4.005 1.00 0.00 H new ATOM 0 HD1 HIS A 18 24.983 -5.144 -2.008 1.00 0.00 H new ATOM 0 HD2 HIS A 18 23.650 -1.151 -1.391 1.00 0.00 H new ATOM 0 HE1 HIS A 18 24.537 -4.768 0.479 1.00 0.00 H new ATOM 250 N LYS A 19 25.147 -4.212 -6.571 1.00 0.00 N ATOM 251 CA LYS A 19 24.641 -4.684 -7.897 1.00 0.00 C ATOM 252 C LYS A 19 23.594 -5.838 -7.752 1.00 0.00 C ATOM 253 O LYS A 19 23.597 -6.628 -6.801 1.00 0.00 O ATOM 254 CB LYS A 19 25.821 -5.080 -8.832 1.00 0.00 C ATOM 255 CG LYS A 19 26.892 -4.001 -9.150 1.00 0.00 C ATOM 256 CD LYS A 19 26.588 -3.009 -10.297 1.00 0.00 C ATOM 257 CE LYS A 19 25.455 -2.002 -10.030 1.00 0.00 C ATOM 258 NZ LYS A 19 25.441 -0.944 -11.058 1.00 0.00 N ATOM 0 H LYS A 19 25.766 -4.875 -6.105 1.00 0.00 H new ATOM 0 HA LYS A 19 24.115 -3.851 -8.363 1.00 0.00 H new ATOM 0 HB2 LYS A 19 26.330 -5.934 -8.385 1.00 0.00 H new ATOM 0 HB3 LYS A 19 25.398 -5.420 -9.777 1.00 0.00 H new ATOM 0 HG2 LYS A 19 27.066 -3.423 -8.243 1.00 0.00 H new ATOM 0 HG3 LYS A 19 27.825 -4.513 -9.386 1.00 0.00 H new ATOM 0 HD2 LYS A 19 27.498 -2.452 -10.521 1.00 0.00 H new ATOM 0 HD3 LYS A 19 26.337 -3.581 -11.190 1.00 0.00 H new ATOM 0 HE2 LYS A 19 24.496 -2.520 -10.022 1.00 0.00 H new ATOM 0 HE3 LYS A 19 25.584 -1.556 -9.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 24.669 -0.276 -10.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 26.349 -0.437 -11.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 25.295 -1.372 -11.995 1.00 0.00 H new ATOM 271 N LEU A 20 22.696 -5.938 -8.747 1.00 0.00 N ATOM 272 CA LEU A 20 21.702 -7.054 -8.848 1.00 0.00 C ATOM 273 C LEU A 20 22.028 -8.139 -9.932 1.00 0.00 C ATOM 274 O LEU A 20 21.117 -8.837 -10.389 1.00 0.00 O ATOM 275 CB LEU A 20 20.305 -6.401 -9.074 1.00 0.00 C ATOM 276 CG LEU A 20 19.712 -5.607 -7.882 1.00 0.00 C ATOM 277 CD1 LEU A 20 18.603 -4.666 -8.374 1.00 0.00 C ATOM 278 CD2 LEU A 20 19.153 -6.521 -6.787 1.00 0.00 C ATOM 0 H LEU A 20 22.627 -5.260 -9.506 1.00 0.00 H new ATOM 0 HA LEU A 20 21.732 -7.624 -7.919 1.00 0.00 H new ATOM 0 HB2 LEU A 20 20.377 -5.729 -9.929 1.00 0.00 H new ATOM 0 HB3 LEU A 20 19.600 -7.187 -9.344 1.00 0.00 H new ATOM 0 HG LEU A 20 20.529 -5.032 -7.447 1.00 0.00 H new ATOM 0 HD11 LEU A 20 18.193 -4.113 -7.529 1.00 0.00 H new ATOM 0 HD12 LEU A 20 19.016 -3.966 -9.100 1.00 0.00 H new ATOM 0 HD13 LEU A 20 17.812 -5.250 -8.843 1.00 0.00 H new ATOM 0 HD21 LEU A 20 18.750 -5.914 -5.976 1.00 0.00 H new ATOM 0 HD22 LEU A 20 18.360 -7.143 -7.202 1.00 0.00 H new ATOM 0 HD23 LEU A 20 19.950 -7.157 -6.402 1.00 0.00 H new ATOM 290 N ASP A 21 23.305 -8.343 -10.313 1.00 0.00 N ATOM 291 CA ASP A 21 23.691 -9.424 -11.272 1.00 0.00 C ATOM 292 C ASP A 21 24.969 -10.186 -10.794 1.00 0.00 C ATOM 293 O ASP A 21 25.999 -10.182 -11.478 1.00 0.00 O ATOM 294 CB ASP A 21 23.820 -8.840 -12.710 1.00 0.00 C ATOM 295 CG ASP A 21 22.525 -8.342 -13.353 1.00 0.00 C ATOM 296 OD1 ASP A 21 21.723 -9.364 -13.759 1.00 0.00 O ATOM 297 OD2 ASP A 21 22.241 -7.156 -13.485 1.00 0.00 O ATOM 0 H ASP A 21 24.090 -7.783 -9.980 1.00 0.00 H new ATOM 0 HA ASP A 21 22.901 -10.174 -11.301 1.00 0.00 H new ATOM 0 HB2 ASP A 21 24.529 -8.013 -12.682 1.00 0.00 H new ATOM 0 HB3 ASP A 21 24.250 -9.607 -13.354 1.00 0.00 H new ATOM 302 N GLY A 22 24.914 -10.854 -9.621 1.00 0.00 N ATOM 303 CA GLY A 22 26.033 -11.716 -9.129 1.00 0.00 C ATOM 304 C GLY A 22 27.337 -11.051 -8.606 1.00 0.00 C ATOM 305 O GLY A 22 27.888 -11.489 -7.596 1.00 0.00 O ATOM 0 H GLY A 22 24.112 -10.819 -8.992 1.00 0.00 H new ATOM 0 HA2 GLY A 22 25.638 -12.337 -8.325 1.00 0.00 H new ATOM 0 HA3 GLY A 22 26.311 -12.386 -9.942 1.00 0.00 H new ATOM 309 N ASN A 23 27.843 -10.014 -9.288 1.00 0.00 N ATOM 310 CA ASN A 23 28.971 -9.174 -8.788 1.00 0.00 C ATOM 311 C ASN A 23 28.525 -8.196 -7.646 1.00 0.00 C ATOM 312 O ASN A 23 27.342 -7.911 -7.444 1.00 0.00 O ATOM 313 CB ASN A 23 29.623 -8.385 -9.957 1.00 0.00 C ATOM 314 CG ASN A 23 30.218 -9.207 -11.106 1.00 0.00 C ATOM 315 OD1 ASN A 23 31.344 -9.685 -11.038 1.00 0.00 O ATOM 316 ND2 ASN A 23 29.503 -9.394 -12.188 1.00 0.00 N ATOM 0 H ASN A 23 27.492 -9.724 -10.201 1.00 0.00 H new ATOM 0 HA ASN A 23 29.710 -9.851 -8.360 1.00 0.00 H new ATOM 0 HB2 ASN A 23 28.871 -7.715 -10.374 1.00 0.00 H new ATOM 0 HB3 ASN A 23 30.414 -7.759 -9.544 1.00 0.00 H new ATOM 0 HD21 ASN A 23 29.885 -9.934 -12.965 1.00 0.00 H new ATOM 0 HD22 ASN A 23 28.565 -9.000 -12.254 1.00 0.00 H new ATOM 323 N ASP A 24 29.505 -7.697 -6.884 1.00 0.00 N ATOM 324 CA ASP A 24 29.247 -7.021 -5.578 1.00 0.00 C ATOM 325 C ASP A 24 29.361 -5.466 -5.708 1.00 0.00 C ATOM 326 O ASP A 24 28.338 -4.801 -5.900 1.00 0.00 O ATOM 327 CB ASP A 24 30.119 -7.708 -4.476 1.00 0.00 C ATOM 328 CG ASP A 24 29.892 -9.200 -4.158 1.00 0.00 C ATOM 329 OD1 ASP A 24 28.692 -9.679 -4.597 1.00 0.00 O ATOM 330 OD2 ASP A 24 30.716 -9.887 -3.563 1.00 0.00 O ATOM 0 H ASP A 24 30.492 -7.742 -7.138 1.00 0.00 H new ATOM 0 HA ASP A 24 28.215 -7.152 -5.253 1.00 0.00 H new ATOM 0 HB2 ASP A 24 31.164 -7.589 -4.763 1.00 0.00 H new ATOM 0 HB3 ASP A 24 29.977 -7.150 -3.550 1.00 0.00 H new ATOM 335 N GLY A 25 30.579 -4.899 -5.619 1.00 0.00 N ATOM 336 CA GLY A 25 30.808 -3.428 -5.665 1.00 0.00 C ATOM 337 C GLY A 25 31.447 -2.896 -4.365 1.00 0.00 C ATOM 338 O GLY A 25 32.552 -3.306 -4.002 1.00 0.00 O ATOM 0 H GLY A 25 31.437 -5.441 -5.513 1.00 0.00 H new ATOM 0 HA2 GLY A 25 31.454 -3.189 -6.510 1.00 0.00 H new ATOM 0 HA3 GLY A 25 29.859 -2.920 -5.836 1.00 0.00 H new ATOM 342 N VAL A 26 30.742 -2.001 -3.660 1.00 0.00 N ATOM 343 CA VAL A 26 31.060 -1.660 -2.230 1.00 0.00 C ATOM 344 C VAL A 26 30.297 -2.628 -1.258 1.00 0.00 C ATOM 345 O VAL A 26 30.927 -3.193 -0.362 1.00 0.00 O ATOM 346 CB VAL A 26 30.818 -0.146 -1.885 1.00 0.00 C ATOM 347 CG1 VAL A 26 31.249 0.238 -0.448 1.00 0.00 C ATOM 348 CG2 VAL A 26 31.506 0.855 -2.841 1.00 0.00 C ATOM 0 H VAL A 26 29.945 -1.490 -4.039 1.00 0.00 H new ATOM 0 HA VAL A 26 32.130 -1.811 -2.089 1.00 0.00 H new ATOM 0 HB VAL A 26 29.737 -0.062 -1.996 1.00 0.00 H new ATOM 0 HG11 VAL A 26 31.053 1.297 -0.280 1.00 0.00 H new ATOM 0 HG12 VAL A 26 30.684 -0.354 0.272 1.00 0.00 H new ATOM 0 HG13 VAL A 26 32.314 0.042 -0.323 1.00 0.00 H new ATOM 0 HG21 VAL A 26 31.282 1.874 -2.524 1.00 0.00 H new ATOM 0 HG22 VAL A 26 32.584 0.697 -2.819 1.00 0.00 H new ATOM 0 HG23 VAL A 26 31.137 0.702 -3.855 1.00 0.00 H new ATOM 358 N GLY A 27 28.970 -2.806 -1.417 1.00 0.00 N ATOM 359 CA GLY A 27 28.223 -3.893 -0.740 1.00 0.00 C ATOM 360 C GLY A 27 28.095 -5.229 -1.532 1.00 0.00 C ATOM 361 O GLY A 27 28.440 -5.275 -2.716 1.00 0.00 O ATOM 0 H GLY A 27 28.390 -2.211 -2.009 1.00 0.00 H new ATOM 0 HA2 GLY A 27 28.710 -4.103 0.212 1.00 0.00 H new ATOM 0 HA3 GLY A 27 27.220 -3.531 -0.512 1.00 0.00 H new ATOM 365 N PRO A 28 27.571 -6.340 -0.941 1.00 0.00 N ATOM 366 CA PRO A 28 27.327 -7.616 -1.678 1.00 0.00 C ATOM 367 C PRO A 28 26.204 -7.565 -2.764 1.00 0.00 C ATOM 368 O PRO A 28 25.411 -6.621 -2.832 1.00 0.00 O ATOM 369 CB PRO A 28 26.967 -8.556 -0.507 1.00 0.00 C ATOM 370 CG PRO A 28 26.310 -7.646 0.527 1.00 0.00 C ATOM 371 CD PRO A 28 27.184 -6.405 0.480 1.00 0.00 C ATOM 0 HA PRO A 28 28.182 -7.918 -2.282 1.00 0.00 H new ATOM 0 HB2 PRO A 28 26.289 -9.347 -0.827 1.00 0.00 H new ATOM 0 HB3 PRO A 28 27.854 -9.042 -0.101 1.00 0.00 H new ATOM 0 HG2 PRO A 28 25.275 -7.422 0.270 1.00 0.00 H new ATOM 0 HG3 PRO A 28 26.302 -8.099 1.518 1.00 0.00 H new ATOM 0 HD2 PRO A 28 26.640 -5.514 0.794 1.00 0.00 H new ATOM 0 HD3 PRO A 28 28.052 -6.495 1.133 1.00 0.00 H new ATOM 379 N HIS A 29 26.084 -8.621 -3.586 1.00 0.00 N ATOM 380 CA HIS A 29 24.975 -8.733 -4.571 1.00 0.00 C ATOM 381 C HIS A 29 23.582 -8.942 -3.893 1.00 0.00 C ATOM 382 O HIS A 29 23.391 -9.878 -3.103 1.00 0.00 O ATOM 383 CB HIS A 29 25.295 -9.808 -5.643 1.00 0.00 C ATOM 384 CG HIS A 29 25.302 -11.290 -5.245 1.00 0.00 C ATOM 385 ND1 HIS A 29 26.456 -11.994 -4.940 1.00 0.00 N ATOM 386 CD2 HIS A 29 24.200 -12.159 -5.312 1.00 0.00 C ATOM 387 CE1 HIS A 29 25.930 -13.261 -4.880 1.00 0.00 C ATOM 388 NE2 HIS A 29 24.588 -13.457 -5.052 1.00 0.00 N ATOM 0 H HIS A 29 26.732 -9.408 -3.595 1.00 0.00 H new ATOM 0 HA HIS A 29 24.898 -7.776 -5.087 1.00 0.00 H new ATOM 0 HB2 HIS A 29 24.573 -9.690 -6.451 1.00 0.00 H new ATOM 0 HB3 HIS A 29 26.276 -9.576 -6.056 1.00 0.00 H new ATOM 0 HD1 HIS A 29 27.412 -11.668 -4.801 1.00 0.00 H new ATOM 0 HD2 HIS A 29 23.189 -11.853 -5.536 1.00 0.00 H new ATOM 0 HE1 HIS A 29 26.578 -14.105 -4.696 1.00 0.00 H new ATOM 396 N LEU A 30 22.606 -8.070 -4.191 1.00 0.00 N ATOM 397 CA LEU A 30 21.249 -8.165 -3.569 1.00 0.00 C ATOM 398 C LEU A 30 20.180 -8.981 -4.368 1.00 0.00 C ATOM 399 O LEU A 30 19.027 -9.052 -3.931 1.00 0.00 O ATOM 400 CB LEU A 30 20.768 -6.733 -3.219 1.00 0.00 C ATOM 401 CG LEU A 30 21.567 -5.945 -2.150 1.00 0.00 C ATOM 402 CD1 LEU A 30 20.929 -4.561 -1.960 1.00 0.00 C ATOM 403 CD2 LEU A 30 21.670 -6.652 -0.784 1.00 0.00 C ATOM 0 H LEU A 30 22.715 -7.297 -4.848 1.00 0.00 H new ATOM 0 HA LEU A 30 21.360 -8.765 -2.666 1.00 0.00 H new ATOM 0 HB2 LEU A 30 20.767 -6.146 -4.137 1.00 0.00 H new ATOM 0 HB3 LEU A 30 19.733 -6.800 -2.883 1.00 0.00 H new ATOM 0 HG LEU A 30 22.587 -5.867 -2.528 1.00 0.00 H new ATOM 0 HD11 LEU A 30 21.488 -4.003 -1.209 1.00 0.00 H new ATOM 0 HD12 LEU A 30 20.949 -4.018 -2.905 1.00 0.00 H new ATOM 0 HD13 LEU A 30 19.896 -4.678 -1.631 1.00 0.00 H new ATOM 0 HD21 LEU A 30 22.245 -6.032 -0.096 1.00 0.00 H new ATOM 0 HD22 LEU A 30 20.670 -6.811 -0.380 1.00 0.00 H new ATOM 0 HD23 LEU A 30 22.168 -7.613 -0.909 1.00 0.00 H new ATOM 415 N ASN A 31 20.544 -9.638 -5.488 1.00 0.00 N ATOM 416 CA ASN A 31 19.623 -10.515 -6.254 1.00 0.00 C ATOM 417 C ASN A 31 19.296 -11.819 -5.455 1.00 0.00 C ATOM 418 O ASN A 31 20.170 -12.646 -5.173 1.00 0.00 O ATOM 419 CB ASN A 31 20.129 -10.716 -7.708 1.00 0.00 C ATOM 420 CG ASN A 31 21.509 -11.349 -7.934 1.00 0.00 C ATOM 421 OD1 ASN A 31 22.544 -10.702 -7.799 1.00 0.00 O ATOM 422 ND2 ASN A 31 21.576 -12.604 -8.301 1.00 0.00 N ATOM 0 H ASN A 31 21.480 -9.579 -5.889 1.00 0.00 H new ATOM 0 HA ASN A 31 18.656 -10.026 -6.373 1.00 0.00 H new ATOM 0 HB2 ASN A 31 19.395 -11.331 -8.230 1.00 0.00 H new ATOM 0 HB3 ASN A 31 20.131 -9.740 -8.194 1.00 0.00 H new ATOM 0 HD21 ASN A 31 22.483 -13.037 -8.473 1.00 0.00 H new ATOM 0 HD22 ASN A 31 20.721 -13.148 -8.415 1.00 0.00 H new ATOM 429 N GLY A 32 18.038 -11.910 -4.993 1.00 0.00 N ATOM 430 CA GLY A 32 17.605 -12.943 -4.022 1.00 0.00 C ATOM 431 C GLY A 32 17.925 -12.687 -2.533 1.00 0.00 C ATOM 432 O GLY A 32 18.175 -13.652 -1.815 1.00 0.00 O ATOM 0 H GLY A 32 17.292 -11.275 -5.277 1.00 0.00 H new ATOM 0 HA2 GLY A 32 16.527 -13.068 -4.120 1.00 0.00 H new ATOM 0 HA3 GLY A 32 18.063 -13.890 -4.309 1.00 0.00 H new ATOM 436 N VAL A 33 17.889 -11.429 -2.055 1.00 0.00 N ATOM 437 CA VAL A 33 18.082 -11.105 -0.602 1.00 0.00 C ATOM 438 C VAL A 33 16.830 -11.326 0.322 1.00 0.00 C ATOM 439 O VAL A 33 17.008 -11.704 1.484 1.00 0.00 O ATOM 440 CB VAL A 33 18.798 -9.723 -0.409 1.00 0.00 C ATOM 441 CG1 VAL A 33 17.948 -8.473 -0.737 1.00 0.00 C ATOM 442 CG2 VAL A 33 19.382 -9.563 1.015 1.00 0.00 C ATOM 0 H VAL A 33 17.729 -10.611 -2.642 1.00 0.00 H new ATOM 0 HA VAL A 33 18.764 -11.869 -0.228 1.00 0.00 H new ATOM 0 HB VAL A 33 19.595 -9.762 -1.151 1.00 0.00 H new ATOM 0 HG11 VAL A 33 18.542 -7.575 -0.568 1.00 0.00 H new ATOM 0 HG12 VAL A 33 17.634 -8.510 -1.780 1.00 0.00 H new ATOM 0 HG13 VAL A 33 17.068 -8.452 -0.094 1.00 0.00 H new ATOM 0 HG21 VAL A 33 19.868 -8.591 1.102 1.00 0.00 H new ATOM 0 HG22 VAL A 33 18.578 -9.634 1.748 1.00 0.00 H new ATOM 0 HG23 VAL A 33 20.112 -10.351 1.200 1.00 0.00 H new ATOM 452 N VAL A 34 15.589 -11.107 -0.157 1.00 0.00 N ATOM 453 CA VAL A 34 14.349 -11.254 0.668 1.00 0.00 C ATOM 454 C VAL A 34 14.066 -12.775 0.927 1.00 0.00 C ATOM 455 O VAL A 34 13.752 -13.530 0.000 1.00 0.00 O ATOM 456 CB VAL A 34 13.128 -10.509 0.020 1.00 0.00 C ATOM 457 CG1 VAL A 34 11.886 -10.506 0.943 1.00 0.00 C ATOM 458 CG2 VAL A 34 13.399 -9.036 -0.365 1.00 0.00 C ATOM 0 H VAL A 34 15.407 -10.824 -1.120 1.00 0.00 H new ATOM 0 HA VAL A 34 14.506 -10.774 1.634 1.00 0.00 H new ATOM 0 HB VAL A 34 12.948 -11.083 -0.889 1.00 0.00 H new ATOM 0 HG11 VAL A 34 11.068 -9.979 0.451 1.00 0.00 H new ATOM 0 HG12 VAL A 34 11.584 -11.533 1.150 1.00 0.00 H new ATOM 0 HG13 VAL A 34 12.130 -10.004 1.879 1.00 0.00 H new ATOM 0 HG21 VAL A 34 12.500 -8.604 -0.805 1.00 0.00 H new ATOM 0 HG22 VAL A 34 13.675 -8.472 0.526 1.00 0.00 H new ATOM 0 HG23 VAL A 34 14.213 -8.993 -1.088 1.00 0.00 H new ATOM 468 N GLY A 35 14.239 -13.218 2.183 1.00 0.00 N ATOM 469 CA GLY A 35 14.375 -14.663 2.514 1.00 0.00 C ATOM 470 C GLY A 35 15.792 -15.171 2.883 1.00 0.00 C ATOM 471 O GLY A 35 15.902 -16.067 3.721 1.00 0.00 O ATOM 0 H GLY A 35 14.289 -12.602 2.994 1.00 0.00 H new ATOM 0 HA2 GLY A 35 13.709 -14.883 3.348 1.00 0.00 H new ATOM 0 HA3 GLY A 35 14.020 -15.241 1.661 1.00 0.00 H new ATOM 475 N ARG A 36 16.868 -14.655 2.264 1.00 0.00 N ATOM 476 CA ARG A 36 18.248 -15.200 2.423 1.00 0.00 C ATOM 477 C ARG A 36 18.869 -14.899 3.822 1.00 0.00 C ATOM 478 O ARG A 36 18.497 -13.911 4.464 1.00 0.00 O ATOM 479 CB ARG A 36 19.049 -14.561 1.254 1.00 0.00 C ATOM 480 CG ARG A 36 20.471 -15.107 0.970 1.00 0.00 C ATOM 481 CD ARG A 36 21.107 -14.543 -0.321 1.00 0.00 C ATOM 482 NE ARG A 36 21.532 -13.123 -0.152 1.00 0.00 N ATOM 483 CZ ARG A 36 21.918 -12.311 -1.138 1.00 0.00 C ATOM 484 NH1 ARG A 36 21.816 -12.600 -2.410 1.00 0.00 N ATOM 485 NH2 ARG A 36 22.425 -11.157 -0.824 1.00 0.00 N ATOM 0 H ARG A 36 16.817 -13.851 1.639 1.00 0.00 H new ATOM 0 HA ARG A 36 18.261 -16.289 2.380 1.00 0.00 H new ATOM 0 HB2 ARG A 36 18.460 -14.672 0.344 1.00 0.00 H new ATOM 0 HB3 ARG A 36 19.134 -13.492 1.451 1.00 0.00 H new ATOM 0 HG2 ARG A 36 21.117 -14.871 1.816 1.00 0.00 H new ATOM 0 HG3 ARG A 36 20.426 -16.194 0.897 1.00 0.00 H new ATOM 0 HD2 ARG A 36 21.969 -15.150 -0.597 1.00 0.00 H new ATOM 0 HD3 ARG A 36 20.391 -14.614 -1.140 1.00 0.00 H new ATOM 0 HE ARG A 36 21.527 -12.742 0.794 1.00 0.00 H new ATOM 0 HH11 ARG A 36 21.421 -13.495 -2.700 1.00 0.00 H new ATOM 0 HH12 ARG A 36 22.132 -11.931 -3.112 1.00 0.00 H new ATOM 0 HH21 ARG A 36 22.520 -10.891 0.156 1.00 0.00 H new ATOM 0 HH22 ARG A 36 22.728 -10.517 -1.558 1.00 0.00 H new ATOM 499 N THR A 37 19.839 -15.714 4.292 1.00 0.00 N ATOM 500 CA THR A 37 20.566 -15.425 5.569 1.00 0.00 C ATOM 501 C THR A 37 21.214 -14.004 5.623 1.00 0.00 C ATOM 502 O THR A 37 21.696 -13.454 4.622 1.00 0.00 O ATOM 503 CB THR A 37 21.584 -16.536 5.974 1.00 0.00 C ATOM 504 OG1 THR A 37 21.942 -16.393 7.343 1.00 0.00 O ATOM 505 CG2 THR A 37 22.917 -16.488 5.224 1.00 0.00 C ATOM 0 H THR A 37 20.141 -16.567 3.822 1.00 0.00 H new ATOM 0 HA THR A 37 19.780 -15.431 6.324 1.00 0.00 H new ATOM 0 HB THR A 37 21.066 -17.466 5.739 1.00 0.00 H new ATOM 0 HG1 THR A 37 22.580 -17.095 7.589 1.00 0.00 H new ATOM 0 HG21 THR A 37 23.559 -17.297 5.572 1.00 0.00 H new ATOM 0 HG22 THR A 37 22.737 -16.601 4.155 1.00 0.00 H new ATOM 0 HG23 THR A 37 23.405 -15.531 5.411 1.00 0.00 H new ATOM 513 N VAL A 38 21.308 -13.478 6.843 1.00 0.00 N ATOM 514 CA VAL A 38 22.147 -12.297 7.143 1.00 0.00 C ATOM 515 C VAL A 38 23.658 -12.716 7.106 1.00 0.00 C ATOM 516 O VAL A 38 24.050 -13.758 7.645 1.00 0.00 O ATOM 517 CB VAL A 38 21.671 -11.639 8.481 1.00 0.00 C ATOM 518 CG1 VAL A 38 22.413 -10.314 8.763 1.00 0.00 C ATOM 519 CG2 VAL A 38 20.141 -11.412 8.586 1.00 0.00 C ATOM 0 H VAL A 38 20.812 -13.849 7.653 1.00 0.00 H new ATOM 0 HA VAL A 38 22.036 -11.520 6.386 1.00 0.00 H new ATOM 0 HB VAL A 38 21.926 -12.375 9.243 1.00 0.00 H new ATOM 0 HG11 VAL A 38 22.054 -9.889 9.700 1.00 0.00 H new ATOM 0 HG12 VAL A 38 23.484 -10.505 8.837 1.00 0.00 H new ATOM 0 HG13 VAL A 38 22.225 -9.612 7.951 1.00 0.00 H new ATOM 0 HG21 VAL A 38 19.906 -10.952 9.546 1.00 0.00 H new ATOM 0 HG22 VAL A 38 19.814 -10.755 7.780 1.00 0.00 H new ATOM 0 HG23 VAL A 38 19.625 -12.369 8.506 1.00 0.00 H new ATOM 529 N ALA A 39 24.457 -11.940 6.350 1.00 0.00 N ATOM 530 CA ALA A 39 25.781 -12.371 5.812 1.00 0.00 C ATOM 531 C ALA A 39 25.794 -13.457 4.672 1.00 0.00 C ATOM 532 O ALA A 39 26.782 -14.181 4.505 1.00 0.00 O ATOM 533 CB ALA A 39 26.803 -12.606 6.940 1.00 0.00 C ATOM 0 H ALA A 39 24.208 -10.986 6.088 1.00 0.00 H new ATOM 0 HA ALA A 39 26.116 -11.508 5.237 1.00 0.00 H new ATOM 0 HB1 ALA A 39 27.754 -12.919 6.510 1.00 0.00 H new ATOM 0 HB2 ALA A 39 26.944 -11.682 7.501 1.00 0.00 H new ATOM 0 HB3 ALA A 39 26.434 -13.384 7.609 1.00 0.00 H new ATOM 539 N GLY A 40 24.746 -13.523 3.824 1.00 0.00 N ATOM 540 CA GLY A 40 24.617 -14.591 2.792 1.00 0.00 C ATOM 541 C GLY A 40 25.158 -14.302 1.379 1.00 0.00 C ATOM 542 O GLY A 40 24.412 -14.425 0.406 1.00 0.00 O ATOM 0 H GLY A 40 23.976 -12.855 3.828 1.00 0.00 H new ATOM 0 HA2 GLY A 40 25.123 -15.481 3.167 1.00 0.00 H new ATOM 0 HA3 GLY A 40 23.560 -14.840 2.700 1.00 0.00 H new ATOM 546 N VAL A 41 26.456 -13.988 1.262 1.00 0.00 N ATOM 547 CA VAL A 41 27.191 -14.015 -0.043 1.00 0.00 C ATOM 548 C VAL A 41 28.608 -14.599 0.265 1.00 0.00 C ATOM 549 O VAL A 41 29.495 -13.883 0.745 1.00 0.00 O ATOM 550 CB VAL A 41 27.215 -12.626 -0.786 1.00 0.00 C ATOM 551 CG1 VAL A 41 28.116 -12.604 -2.042 1.00 0.00 C ATOM 552 CG2 VAL A 41 25.812 -12.171 -1.253 1.00 0.00 C ATOM 0 H VAL A 41 27.036 -13.708 2.053 1.00 0.00 H new ATOM 0 HA VAL A 41 26.672 -14.649 -0.762 1.00 0.00 H new ATOM 0 HB VAL A 41 27.614 -11.951 -0.029 1.00 0.00 H new ATOM 0 HG11 VAL A 41 28.080 -11.615 -2.498 1.00 0.00 H new ATOM 0 HG12 VAL A 41 29.142 -12.836 -1.758 1.00 0.00 H new ATOM 0 HG13 VAL A 41 27.761 -13.346 -2.757 1.00 0.00 H new ATOM 0 HG21 VAL A 41 25.891 -11.208 -1.758 1.00 0.00 H new ATOM 0 HG22 VAL A 41 25.401 -12.909 -1.941 1.00 0.00 H new ATOM 0 HG23 VAL A 41 25.154 -12.074 -0.389 1.00 0.00 H new ATOM 562 N ASP A 42 28.828 -15.894 -0.035 1.00 0.00 N ATOM 563 CA ASP A 42 30.130 -16.578 0.228 1.00 0.00 C ATOM 564 C ASP A 42 31.219 -16.120 -0.798 1.00 0.00 C ATOM 565 O ASP A 42 31.193 -16.500 -1.972 1.00 0.00 O ATOM 566 CB ASP A 42 29.929 -18.119 0.214 1.00 0.00 C ATOM 567 CG ASP A 42 29.063 -18.716 1.332 1.00 0.00 C ATOM 568 OD1 ASP A 42 28.647 -18.082 2.299 1.00 0.00 O ATOM 569 OD2 ASP A 42 28.814 -20.042 1.122 1.00 0.00 O ATOM 0 H ASP A 42 28.125 -16.497 -0.461 1.00 0.00 H new ATOM 0 HA ASP A 42 30.489 -16.294 1.217 1.00 0.00 H new ATOM 0 HB2 ASP A 42 29.485 -18.395 -0.743 1.00 0.00 H new ATOM 0 HB3 ASP A 42 30.911 -18.590 0.257 1.00 0.00 H new ATOM 574 N GLY A 43 32.125 -15.239 -0.348 1.00 0.00 N ATOM 575 CA GLY A 43 32.916 -14.373 -1.266 1.00 0.00 C ATOM 576 C GLY A 43 33.134 -12.927 -0.764 1.00 0.00 C ATOM 577 O GLY A 43 34.261 -12.433 -0.813 1.00 0.00 O ATOM 0 H GLY A 43 32.335 -15.100 0.640 1.00 0.00 H new ATOM 0 HA2 GLY A 43 33.889 -14.836 -1.432 1.00 0.00 H new ATOM 0 HA3 GLY A 43 32.412 -14.336 -2.232 1.00 0.00 H new ATOM 581 N PHE A 44 32.071 -12.243 -0.300 1.00 0.00 N ATOM 582 CA PHE A 44 32.180 -10.874 0.274 1.00 0.00 C ATOM 583 C PHE A 44 32.733 -10.875 1.746 1.00 0.00 C ATOM 584 O PHE A 44 32.336 -11.692 2.585 1.00 0.00 O ATOM 585 CB PHE A 44 30.774 -10.215 0.142 1.00 0.00 C ATOM 586 CG PHE A 44 30.736 -8.722 0.513 1.00 0.00 C ATOM 587 CD1 PHE A 44 31.082 -7.748 -0.428 1.00 0.00 C ATOM 588 CD2 PHE A 44 30.472 -8.338 1.832 1.00 0.00 C ATOM 589 CE1 PHE A 44 31.190 -6.413 -0.046 1.00 0.00 C ATOM 590 CE2 PHE A 44 30.598 -7.008 2.217 1.00 0.00 C ATOM 591 CZ PHE A 44 30.955 -6.045 1.278 1.00 0.00 C ATOM 0 H PHE A 44 31.120 -12.612 -0.309 1.00 0.00 H new ATOM 0 HA PHE A 44 32.916 -10.287 -0.276 1.00 0.00 H new ATOM 0 HB2 PHE A 44 30.426 -10.331 -0.885 1.00 0.00 H new ATOM 0 HB3 PHE A 44 30.072 -10.753 0.779 1.00 0.00 H new ATOM 0 HD1 PHE A 44 31.266 -8.031 -1.454 1.00 0.00 H new ATOM 0 HD2 PHE A 44 30.168 -9.080 2.556 1.00 0.00 H new ATOM 0 HE1 PHE A 44 31.456 -5.663 -0.776 1.00 0.00 H new ATOM 0 HE2 PHE A 44 30.419 -6.723 3.243 1.00 0.00 H new ATOM 0 HZ PHE A 44 31.050 -5.011 1.575 1.00 0.00 H new ATOM 601 N ASN A 45 33.609 -9.901 2.068 1.00 0.00 N ATOM 602 CA ASN A 45 34.111 -9.687 3.455 1.00 0.00 C ATOM 603 C ASN A 45 33.068 -8.917 4.338 1.00 0.00 C ATOM 604 O ASN A 45 33.034 -7.683 4.371 1.00 0.00 O ATOM 605 CB ASN A 45 35.488 -8.973 3.336 1.00 0.00 C ATOM 606 CG ASN A 45 36.249 -8.813 4.659 1.00 0.00 C ATOM 607 OD1 ASN A 45 36.083 -7.843 5.390 1.00 0.00 O ATOM 608 ND2 ASN A 45 37.095 -9.748 5.018 1.00 0.00 N ATOM 0 H ASN A 45 33.989 -9.243 1.387 1.00 0.00 H new ATOM 0 HA ASN A 45 34.248 -10.634 3.977 1.00 0.00 H new ATOM 0 HB2 ASN A 45 36.112 -9.533 2.640 1.00 0.00 H new ATOM 0 HB3 ASN A 45 35.333 -7.986 2.901 1.00 0.00 H new ATOM 0 HD21 ASN A 45 37.606 -9.663 5.897 1.00 0.00 H new ATOM 0 HD22 ASN A 45 37.242 -10.560 4.419 1.00 0.00 H new ATOM 615 N TYR A 46 32.223 -9.670 5.058 1.00 0.00 N ATOM 616 CA TYR A 46 31.186 -9.086 5.953 1.00 0.00 C ATOM 617 C TYR A 46 31.723 -8.711 7.371 1.00 0.00 C ATOM 618 O TYR A 46 32.631 -9.343 7.921 1.00 0.00 O ATOM 619 CB TYR A 46 30.018 -10.101 6.104 1.00 0.00 C ATOM 620 CG TYR A 46 29.075 -10.234 4.903 1.00 0.00 C ATOM 621 CD1 TYR A 46 28.034 -9.317 4.736 1.00 0.00 C ATOM 622 CD2 TYR A 46 29.200 -11.301 4.008 1.00 0.00 C ATOM 623 CE1 TYR A 46 27.104 -9.486 3.716 1.00 0.00 C ATOM 624 CE2 TYR A 46 28.277 -11.458 2.979 1.00 0.00 C ATOM 625 CZ TYR A 46 27.219 -10.565 2.843 1.00 0.00 C ATOM 626 OH TYR A 46 26.245 -10.794 1.908 1.00 0.00 O ATOM 0 H TYR A 46 32.230 -10.690 5.044 1.00 0.00 H new ATOM 0 HA TYR A 46 30.853 -8.158 5.487 1.00 0.00 H new ATOM 0 HB2 TYR A 46 30.443 -11.082 6.316 1.00 0.00 H new ATOM 0 HB3 TYR A 46 29.426 -9.815 6.974 1.00 0.00 H new ATOM 0 HD1 TYR A 46 27.951 -8.472 5.403 1.00 0.00 H new ATOM 0 HD2 TYR A 46 30.013 -12.003 4.116 1.00 0.00 H new ATOM 0 HE1 TYR A 46 26.294 -8.781 3.601 1.00 0.00 H new ATOM 0 HE2 TYR A 46 28.382 -12.277 2.283 1.00 0.00 H new ATOM 0 HH TYR A 46 25.363 -10.661 2.315 1.00 0.00 H new ATOM 636 N SER A 47 31.059 -7.726 7.999 1.00 0.00 N ATOM 637 CA SER A 47 31.325 -7.329 9.403 1.00 0.00 C ATOM 638 C SER A 47 30.988 -8.431 10.462 1.00 0.00 C ATOM 639 O SER A 47 30.085 -9.257 10.274 1.00 0.00 O ATOM 640 CB SER A 47 30.512 -6.032 9.654 1.00 0.00 C ATOM 641 OG SER A 47 29.109 -6.282 9.727 1.00 0.00 O ATOM 0 H SER A 47 30.322 -7.179 7.553 1.00 0.00 H new ATOM 0 HA SER A 47 32.396 -7.171 9.529 1.00 0.00 H new ATOM 0 HB2 SER A 47 30.846 -5.570 10.583 1.00 0.00 H new ATOM 0 HB3 SER A 47 30.711 -5.319 8.854 1.00 0.00 H new ATOM 0 HG SER A 47 28.742 -6.352 8.821 1.00 0.00 H new ATOM 647 N ASP A 48 31.679 -8.375 11.612 1.00 0.00 N ATOM 648 CA ASP A 48 31.427 -9.293 12.764 1.00 0.00 C ATOM 649 C ASP A 48 29.948 -9.360 13.311 1.00 0.00 C ATOM 650 O ASP A 48 29.476 -10.493 13.451 1.00 0.00 O ATOM 651 CB ASP A 48 32.444 -9.014 13.906 1.00 0.00 C ATOM 652 CG ASP A 48 33.915 -9.264 13.563 1.00 0.00 C ATOM 653 OD1 ASP A 48 34.260 -10.581 13.677 1.00 0.00 O ATOM 654 OD2 ASP A 48 34.682 -8.370 13.219 1.00 0.00 O ATOM 0 H ASP A 48 32.426 -7.701 11.781 1.00 0.00 H new ATOM 0 HA ASP A 48 31.579 -10.291 12.352 1.00 0.00 H new ATOM 0 HB2 ASP A 48 32.335 -7.976 14.219 1.00 0.00 H new ATOM 0 HB3 ASP A 48 32.179 -9.634 14.762 1.00 0.00 H new ATOM 659 N PRO A 49 29.166 -8.268 13.592 1.00 0.00 N ATOM 660 CA PRO A 49 27.720 -8.388 13.949 1.00 0.00 C ATOM 661 C PRO A 49 26.747 -8.895 12.827 1.00 0.00 C ATOM 662 O PRO A 49 25.717 -9.490 13.148 1.00 0.00 O ATOM 663 CB PRO A 49 27.407 -6.974 14.474 1.00 0.00 C ATOM 664 CG PRO A 49 28.354 -6.045 13.716 1.00 0.00 C ATOM 665 CD PRO A 49 29.609 -6.866 13.447 1.00 0.00 C ATOM 0 HA PRO A 49 27.549 -9.185 14.673 1.00 0.00 H new ATOM 0 HB2 PRO A 49 26.366 -6.708 14.292 1.00 0.00 H new ATOM 0 HB3 PRO A 49 27.569 -6.909 15.550 1.00 0.00 H new ATOM 0 HG2 PRO A 49 27.904 -5.702 12.785 1.00 0.00 H new ATOM 0 HG3 PRO A 49 28.586 -5.157 14.304 1.00 0.00 H new ATOM 0 HD2 PRO A 49 30.003 -6.675 12.449 1.00 0.00 H new ATOM 0 HD3 PRO A 49 30.402 -6.624 14.155 1.00 0.00 H new ATOM 673 N MET A 50 27.075 -8.703 11.534 1.00 0.00 N ATOM 674 CA MET A 50 26.349 -9.346 10.399 1.00 0.00 C ATOM 675 C MET A 50 26.522 -10.902 10.332 1.00 0.00 C ATOM 676 O MET A 50 25.520 -11.620 10.266 1.00 0.00 O ATOM 677 CB MET A 50 26.784 -8.627 9.093 1.00 0.00 C ATOM 678 CG MET A 50 25.815 -8.783 7.905 1.00 0.00 C ATOM 679 SD MET A 50 24.303 -7.838 8.173 1.00 0.00 S ATOM 680 CE MET A 50 24.838 -6.183 7.717 1.00 0.00 C ATOM 0 H MET A 50 27.845 -8.103 11.238 1.00 0.00 H new ATOM 0 HA MET A 50 25.276 -9.225 10.550 1.00 0.00 H new ATOM 0 HB2 MET A 50 26.906 -7.565 9.305 1.00 0.00 H new ATOM 0 HB3 MET A 50 27.762 -9.007 8.796 1.00 0.00 H new ATOM 0 HG2 MET A 50 26.300 -8.446 6.989 1.00 0.00 H new ATOM 0 HG3 MET A 50 25.570 -9.836 7.767 1.00 0.00 H new ATOM 0 HE1 MET A 50 24.131 -5.451 8.108 1.00 0.00 H new ATOM 0 HE2 MET A 50 25.826 -5.992 8.136 1.00 0.00 H new ATOM 0 HE3 MET A 50 24.882 -6.101 6.631 1.00 0.00 H new ATOM 690 N LYS A 51 27.768 -11.422 10.393 1.00 0.00 N ATOM 691 CA LYS A 51 28.030 -12.882 10.578 1.00 0.00 C ATOM 692 C LYS A 51 27.494 -13.501 11.917 1.00 0.00 C ATOM 693 O LYS A 51 26.934 -14.598 11.881 1.00 0.00 O ATOM 694 CB LYS A 51 29.553 -13.160 10.396 1.00 0.00 C ATOM 695 CG LYS A 51 30.103 -13.106 8.949 1.00 0.00 C ATOM 696 CD LYS A 51 29.753 -14.350 8.103 1.00 0.00 C ATOM 697 CE LYS A 51 30.308 -14.274 6.671 1.00 0.00 C ATOM 698 NZ LYS A 51 29.774 -15.384 5.856 1.00 0.00 N ATOM 0 H LYS A 51 28.615 -10.858 10.318 1.00 0.00 H new ATOM 0 HA LYS A 51 27.451 -13.390 9.807 1.00 0.00 H new ATOM 0 HB2 LYS A 51 30.105 -12.437 10.997 1.00 0.00 H new ATOM 0 HB3 LYS A 51 29.770 -14.147 10.806 1.00 0.00 H new ATOM 0 HG2 LYS A 51 29.709 -12.219 8.453 1.00 0.00 H new ATOM 0 HG3 LYS A 51 31.187 -12.996 8.986 1.00 0.00 H new ATOM 0 HD2 LYS A 51 30.148 -15.240 8.594 1.00 0.00 H new ATOM 0 HD3 LYS A 51 28.670 -14.462 8.062 1.00 0.00 H new ATOM 0 HE2 LYS A 51 30.038 -13.319 6.219 1.00 0.00 H new ATOM 0 HE3 LYS A 51 31.397 -14.320 6.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 30.156 -15.321 4.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 30.053 -16.292 6.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 28.736 -15.322 5.822 1.00 0.00 H new ATOM 711 N ALA A 52 27.618 -12.811 13.071 1.00 0.00 N ATOM 712 CA ALA A 52 26.934 -13.217 14.334 1.00 0.00 C ATOM 713 C ALA A 52 25.363 -13.224 14.359 1.00 0.00 C ATOM 714 O ALA A 52 24.786 -13.961 15.163 1.00 0.00 O ATOM 715 CB ALA A 52 27.505 -12.321 15.448 1.00 0.00 C ATOM 0 H ALA A 52 28.185 -11.968 13.162 1.00 0.00 H new ATOM 0 HA ALA A 52 27.147 -14.278 14.467 1.00 0.00 H new ATOM 0 HB1 ALA A 52 27.036 -12.578 16.398 1.00 0.00 H new ATOM 0 HB2 ALA A 52 28.582 -12.474 15.522 1.00 0.00 H new ATOM 0 HB3 ALA A 52 27.302 -11.276 15.214 1.00 0.00 H new ATOM 721 N HIS A 53 24.674 -12.453 13.494 1.00 0.00 N ATOM 722 CA HIS A 53 23.199 -12.555 13.296 1.00 0.00 C ATOM 723 C HIS A 53 22.754 -13.919 12.658 1.00 0.00 C ATOM 724 O HIS A 53 22.007 -14.666 13.298 1.00 0.00 O ATOM 725 CB HIS A 53 22.745 -11.280 12.517 1.00 0.00 C ATOM 726 CG HIS A 53 21.240 -10.968 12.456 1.00 0.00 C ATOM 727 ND1 HIS A 53 20.236 -11.891 12.180 1.00 0.00 N ATOM 728 CD2 HIS A 53 20.693 -9.674 12.548 1.00 0.00 C ATOM 729 CE1 HIS A 53 19.153 -11.051 12.157 1.00 0.00 C ATOM 730 NE2 HIS A 53 19.324 -9.708 12.355 1.00 0.00 N ATOM 0 H HIS A 53 25.115 -11.742 12.911 1.00 0.00 H new ATOM 0 HA HIS A 53 22.684 -12.575 14.256 1.00 0.00 H new ATOM 0 HB2 HIS A 53 23.246 -10.421 12.962 1.00 0.00 H new ATOM 0 HB3 HIS A 53 23.110 -11.367 11.493 1.00 0.00 H new ATOM 0 HD2 HIS A 53 21.264 -8.778 12.743 1.00 0.00 H new ATOM 0 HE1 HIS A 53 18.164 -11.449 11.983 1.00 0.00 H new ATOM 0 HE2 HIS A 53 18.640 -8.951 12.359 1.00 0.00 H new ATOM 738 N GLY A 54 23.181 -14.243 11.418 1.00 0.00 N ATOM 739 CA GLY A 54 22.709 -15.462 10.704 1.00 0.00 C ATOM 740 C GLY A 54 21.230 -15.391 10.258 1.00 0.00 C ATOM 741 O GLY A 54 20.842 -14.456 9.560 1.00 0.00 O ATOM 0 H GLY A 54 23.849 -13.683 10.888 1.00 0.00 H new ATOM 0 HA2 GLY A 54 23.336 -15.624 9.827 1.00 0.00 H new ATOM 0 HA3 GLY A 54 22.842 -16.327 11.354 1.00 0.00 H new ATOM 745 N GLY A 55 20.396 -16.365 10.647 1.00 0.00 N ATOM 746 CA GLY A 55 18.913 -16.252 10.511 1.00 0.00 C ATOM 747 C GLY A 55 18.374 -16.009 9.083 1.00 0.00 C ATOM 748 O GLY A 55 18.729 -16.752 8.165 1.00 0.00 O ATOM 0 H GLY A 55 20.709 -17.244 11.059 1.00 0.00 H new ATOM 0 HA2 GLY A 55 18.463 -17.167 10.896 1.00 0.00 H new ATOM 0 HA3 GLY A 55 18.572 -15.437 11.149 1.00 0.00 H new ATOM 752 N ASP A 56 17.545 -14.965 8.889 1.00 0.00 N ATOM 753 CA ASP A 56 17.067 -14.570 7.536 1.00 0.00 C ATOM 754 C ASP A 56 16.702 -13.054 7.429 1.00 0.00 C ATOM 755 O ASP A 56 16.152 -12.455 8.361 1.00 0.00 O ATOM 756 CB ASP A 56 15.812 -15.388 7.093 1.00 0.00 C ATOM 757 CG ASP A 56 15.891 -16.919 7.047 1.00 0.00 C ATOM 758 OD1 ASP A 56 15.680 -17.620 8.033 1.00 0.00 O ATOM 759 OD2 ASP A 56 16.200 -17.414 5.810 1.00 0.00 O ATOM 0 H ASP A 56 17.190 -14.378 9.644 1.00 0.00 H new ATOM 0 HA ASP A 56 17.911 -14.783 6.879 1.00 0.00 H new ATOM 0 HB2 ASP A 56 14.995 -15.122 7.763 1.00 0.00 H new ATOM 0 HB3 ASP A 56 15.532 -15.044 6.097 1.00 0.00 H new ATOM 764 N TRP A 57 16.883 -12.473 6.225 1.00 0.00 N ATOM 765 CA TRP A 57 16.272 -11.167 5.859 1.00 0.00 C ATOM 766 C TRP A 57 14.800 -11.300 5.362 1.00 0.00 C ATOM 767 O TRP A 57 14.510 -11.280 4.163 1.00 0.00 O ATOM 768 CB TRP A 57 17.172 -10.416 4.833 1.00 0.00 C ATOM 769 CG TRP A 57 18.373 -9.654 5.403 1.00 0.00 C ATOM 770 CD1 TRP A 57 19.695 -9.806 4.943 1.00 0.00 C ATOM 771 CD2 TRP A 57 18.446 -8.783 6.489 1.00 0.00 C ATOM 772 NE1 TRP A 57 20.602 -9.067 5.728 1.00 0.00 N ATOM 773 CE2 TRP A 57 19.812 -8.481 6.704 1.00 0.00 C ATOM 774 CE3 TRP A 57 17.460 -8.325 7.411 1.00 0.00 C ATOM 775 CZ2 TRP A 57 20.209 -7.828 7.894 1.00 0.00 C ATOM 776 CZ3 TRP A 57 17.878 -7.671 8.567 1.00 0.00 C ATOM 777 CH2 TRP A 57 19.235 -7.451 8.818 1.00 0.00 C ATOM 0 H TRP A 57 17.449 -12.885 5.483 1.00 0.00 H new ATOM 0 HA TRP A 57 16.217 -10.569 6.768 1.00 0.00 H new ATOM 0 HB2 TRP A 57 17.542 -11.142 4.109 1.00 0.00 H new ATOM 0 HB3 TRP A 57 16.548 -9.709 4.286 1.00 0.00 H new ATOM 0 HD1 TRP A 57 19.978 -10.413 4.095 1.00 0.00 H new ATOM 0 HE1 TRP A 57 21.611 -8.983 5.606 1.00 0.00 H new ATOM 0 HE3 TRP A 57 16.409 -8.482 7.217 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 21.252 -7.624 8.085 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 17.143 -7.329 9.280 1.00 0.00 H new ATOM 0 HH2 TRP A 57 19.534 -6.981 9.743 1.00 0.00 H new ATOM 788 N THR A 58 13.858 -11.370 6.312 1.00 0.00 N ATOM 789 CA THR A 58 12.393 -11.349 6.024 1.00 0.00 C ATOM 790 C THR A 58 11.870 -9.943 5.538 1.00 0.00 C ATOM 791 O THR A 58 12.467 -8.924 5.917 1.00 0.00 O ATOM 792 CB THR A 58 11.603 -11.810 7.296 1.00 0.00 C ATOM 793 OG1 THR A 58 11.836 -10.946 8.405 1.00 0.00 O ATOM 794 CG2 THR A 58 11.889 -13.244 7.773 1.00 0.00 C ATOM 0 H THR A 58 14.076 -11.443 7.306 1.00 0.00 H new ATOM 0 HA THR A 58 12.221 -12.040 5.199 1.00 0.00 H new ATOM 0 HB THR A 58 10.567 -11.771 6.960 1.00 0.00 H new ATOM 0 HG1 THR A 58 11.326 -11.263 9.180 1.00 0.00 H new ATOM 0 HG21 THR A 58 11.290 -13.459 8.658 1.00 0.00 H new ATOM 0 HG22 THR A 58 11.633 -13.949 6.982 1.00 0.00 H new ATOM 0 HG23 THR A 58 12.947 -13.342 8.018 1.00 0.00 H new ATOM 802 N PRO A 59 10.717 -9.797 4.808 1.00 0.00 N ATOM 803 CA PRO A 59 10.067 -8.460 4.582 1.00 0.00 C ATOM 804 C PRO A 59 9.400 -7.733 5.820 1.00 0.00 C ATOM 805 O PRO A 59 8.499 -6.905 5.671 1.00 0.00 O ATOM 806 CB PRO A 59 9.081 -8.821 3.451 1.00 0.00 C ATOM 807 CG PRO A 59 8.676 -10.272 3.714 1.00 0.00 C ATOM 808 CD PRO A 59 9.955 -10.927 4.233 1.00 0.00 C ATOM 0 HA PRO A 59 10.799 -7.686 4.350 1.00 0.00 H new ATOM 0 HB2 PRO A 59 8.212 -8.162 3.462 1.00 0.00 H new ATOM 0 HB3 PRO A 59 9.549 -8.715 2.473 1.00 0.00 H new ATOM 0 HG2 PRO A 59 7.871 -10.335 4.446 1.00 0.00 H new ATOM 0 HG3 PRO A 59 8.320 -10.757 2.805 1.00 0.00 H new ATOM 0 HD2 PRO A 59 9.740 -11.688 4.983 1.00 0.00 H new ATOM 0 HD3 PRO A 59 10.508 -11.417 3.432 1.00 0.00 H new ATOM 816 N GLU A 60 9.919 -8.008 7.024 1.00 0.00 N ATOM 817 CA GLU A 60 9.656 -7.270 8.289 1.00 0.00 C ATOM 818 C GLU A 60 11.015 -6.893 8.983 1.00 0.00 C ATOM 819 O GLU A 60 11.211 -5.725 9.327 1.00 0.00 O ATOM 820 CB GLU A 60 8.707 -8.126 9.171 1.00 0.00 C ATOM 821 CG GLU A 60 8.207 -7.420 10.455 1.00 0.00 C ATOM 822 CD GLU A 60 7.259 -8.278 11.287 1.00 0.00 C ATOM 823 OE1 GLU A 60 7.629 -9.050 12.166 1.00 0.00 O ATOM 824 OE2 GLU A 60 5.954 -8.090 10.946 1.00 0.00 O ATOM 0 H GLU A 60 10.565 -8.785 7.160 1.00 0.00 H new ATOM 0 HA GLU A 60 9.151 -6.322 8.102 1.00 0.00 H new ATOM 0 HB2 GLU A 60 7.844 -8.419 8.574 1.00 0.00 H new ATOM 0 HB3 GLU A 60 9.224 -9.043 9.454 1.00 0.00 H new ATOM 0 HG2 GLU A 60 9.066 -7.143 11.066 1.00 0.00 H new ATOM 0 HG3 GLU A 60 7.701 -6.495 10.179 1.00 0.00 H new ATOM 831 N ALA A 61 11.979 -7.835 9.140 1.00 0.00 N ATOM 832 CA ALA A 61 13.389 -7.513 9.497 1.00 0.00 C ATOM 833 C ALA A 61 14.120 -6.491 8.560 1.00 0.00 C ATOM 834 O ALA A 61 14.700 -5.529 9.069 1.00 0.00 O ATOM 835 CB ALA A 61 14.142 -8.854 9.606 1.00 0.00 C ATOM 0 H ALA A 61 11.805 -8.833 9.024 1.00 0.00 H new ATOM 0 HA ALA A 61 13.379 -6.976 10.446 1.00 0.00 H new ATOM 0 HB1 ALA A 61 15.184 -8.666 9.867 1.00 0.00 H new ATOM 0 HB2 ALA A 61 13.680 -9.469 10.378 1.00 0.00 H new ATOM 0 HB3 ALA A 61 14.096 -9.376 8.650 1.00 0.00 H new ATOM 841 N LEU A 62 14.023 -6.629 7.219 1.00 0.00 N ATOM 842 CA LEU A 62 14.392 -5.538 6.262 1.00 0.00 C ATOM 843 C LEU A 62 13.617 -4.185 6.414 1.00 0.00 C ATOM 844 O LEU A 62 14.211 -3.137 6.172 1.00 0.00 O ATOM 845 CB LEU A 62 14.243 -6.026 4.798 1.00 0.00 C ATOM 846 CG LEU A 62 15.169 -7.168 4.311 1.00 0.00 C ATOM 847 CD1 LEU A 62 14.655 -7.739 2.981 1.00 0.00 C ATOM 848 CD2 LEU A 62 16.616 -6.676 4.126 1.00 0.00 C ATOM 0 H LEU A 62 13.693 -7.481 6.766 1.00 0.00 H new ATOM 0 HA LEU A 62 15.428 -5.316 6.519 1.00 0.00 H new ATOM 0 HB2 LEU A 62 13.212 -6.351 4.658 1.00 0.00 H new ATOM 0 HB3 LEU A 62 14.399 -5.169 4.143 1.00 0.00 H new ATOM 0 HG LEU A 62 15.161 -7.946 5.074 1.00 0.00 H new ATOM 0 HD11 LEU A 62 15.315 -8.541 2.650 1.00 0.00 H new ATOM 0 HD12 LEU A 62 13.648 -8.132 3.119 1.00 0.00 H new ATOM 0 HD13 LEU A 62 14.637 -6.950 2.229 1.00 0.00 H new ATOM 0 HD21 LEU A 62 17.240 -7.502 3.784 1.00 0.00 H new ATOM 0 HD22 LEU A 62 16.636 -5.875 3.387 1.00 0.00 H new ATOM 0 HD23 LEU A 62 16.998 -6.303 5.076 1.00 0.00 H new ATOM 860 N GLN A 63 12.327 -4.177 6.803 1.00 0.00 N ATOM 861 CA GLN A 63 11.574 -2.915 7.092 1.00 0.00 C ATOM 862 C GLN A 63 12.100 -2.078 8.308 1.00 0.00 C ATOM 863 O GLN A 63 12.069 -0.844 8.243 1.00 0.00 O ATOM 864 CB GLN A 63 10.062 -3.217 7.311 1.00 0.00 C ATOM 865 CG GLN A 63 9.267 -3.860 6.148 1.00 0.00 C ATOM 866 CD GLN A 63 8.822 -2.939 5.009 1.00 0.00 C ATOM 867 OE1 GLN A 63 8.880 -1.715 5.057 1.00 0.00 O ATOM 868 NE2 GLN A 63 8.319 -3.512 3.946 1.00 0.00 N ATOM 0 H GLN A 63 11.774 -5.025 6.928 1.00 0.00 H new ATOM 0 HA GLN A 63 11.736 -2.300 6.207 1.00 0.00 H new ATOM 0 HB2 GLN A 63 9.976 -3.874 8.176 1.00 0.00 H new ATOM 0 HB3 GLN A 63 9.570 -2.280 7.572 1.00 0.00 H new ATOM 0 HG2 GLN A 63 9.878 -4.655 5.720 1.00 0.00 H new ATOM 0 HG3 GLN A 63 8.378 -4.332 6.567 1.00 0.00 H new ATOM 0 HE21 GLN A 63 8.265 -4.529 3.892 1.00 0.00 H new ATOM 0 HE22 GLN A 63 7.981 -2.942 3.171 1.00 0.00 H new ATOM 877 N GLU A 64 12.568 -2.719 9.400 1.00 0.00 N ATOM 878 CA GLU A 64 13.343 -2.032 10.464 1.00 0.00 C ATOM 879 C GLU A 64 14.841 -1.802 10.072 1.00 0.00 C ATOM 880 O GLU A 64 15.324 -0.690 10.266 1.00 0.00 O ATOM 881 CB GLU A 64 13.129 -2.808 11.792 1.00 0.00 C ATOM 882 CG GLU A 64 13.477 -1.990 13.061 1.00 0.00 C ATOM 883 CD GLU A 64 13.170 -2.724 14.366 1.00 0.00 C ATOM 884 OE1 GLU A 64 12.034 -2.925 14.784 1.00 0.00 O ATOM 885 OE2 GLU A 64 14.295 -3.120 15.021 1.00 0.00 O ATOM 0 H GLU A 64 12.424 -3.714 9.571 1.00 0.00 H new ATOM 0 HA GLU A 64 12.973 -1.016 10.603 1.00 0.00 H new ATOM 0 HB2 GLU A 64 12.088 -3.127 11.851 1.00 0.00 H new ATOM 0 HB3 GLU A 64 13.739 -3.711 11.776 1.00 0.00 H new ATOM 0 HG2 GLU A 64 14.536 -1.734 13.039 1.00 0.00 H new ATOM 0 HG3 GLU A 64 12.922 -1.052 13.042 1.00 0.00 H new ATOM 892 N PHE A 65 15.564 -2.786 9.494 1.00 0.00 N ATOM 893 CA PHE A 65 16.968 -2.611 9.010 1.00 0.00 C ATOM 894 C PHE A 65 17.186 -1.548 7.893 1.00 0.00 C ATOM 895 O PHE A 65 18.131 -0.772 8.008 1.00 0.00 O ATOM 896 CB PHE A 65 17.482 -4.010 8.601 1.00 0.00 C ATOM 897 CG PHE A 65 18.909 -4.126 8.038 1.00 0.00 C ATOM 898 CD1 PHE A 65 20.033 -4.000 8.862 1.00 0.00 C ATOM 899 CD2 PHE A 65 19.079 -4.500 6.702 1.00 0.00 C ATOM 900 CE1 PHE A 65 21.300 -4.307 8.370 1.00 0.00 C ATOM 901 CE2 PHE A 65 20.342 -4.832 6.227 1.00 0.00 C ATOM 902 CZ PHE A 65 21.445 -4.775 7.067 1.00 0.00 C ATOM 0 H PHE A 65 15.199 -3.727 9.346 1.00 0.00 H new ATOM 0 HA PHE A 65 17.549 -2.188 9.830 1.00 0.00 H new ATOM 0 HB2 PHE A 65 17.416 -4.657 9.475 1.00 0.00 H new ATOM 0 HB3 PHE A 65 16.796 -4.411 7.855 1.00 0.00 H new ATOM 0 HD1 PHE A 65 19.918 -3.664 9.882 1.00 0.00 H new ATOM 0 HD2 PHE A 65 18.228 -4.531 6.038 1.00 0.00 H new ATOM 0 HE1 PHE A 65 22.169 -4.182 8.999 1.00 0.00 H new ATOM 0 HE2 PHE A 65 20.466 -5.136 5.198 1.00 0.00 H new ATOM 0 HZ PHE A 65 22.414 -5.093 6.711 1.00 0.00 H new ATOM 912 N LEU A 66 16.351 -1.458 6.844 1.00 0.00 N ATOM 913 CA LEU A 66 16.426 -0.311 5.887 1.00 0.00 C ATOM 914 C LEU A 66 16.160 1.126 6.462 1.00 0.00 C ATOM 915 O LEU A 66 16.673 2.096 5.902 1.00 0.00 O ATOM 916 CB LEU A 66 15.589 -0.655 4.623 1.00 0.00 C ATOM 917 CG LEU A 66 16.146 -1.794 3.716 1.00 0.00 C ATOM 918 CD1 LEU A 66 15.282 -1.941 2.452 1.00 0.00 C ATOM 919 CD2 LEU A 66 17.622 -1.599 3.310 1.00 0.00 C ATOM 0 H LEU A 66 15.627 -2.143 6.629 1.00 0.00 H new ATOM 0 HA LEU A 66 17.478 -0.210 5.619 1.00 0.00 H new ATOM 0 HB2 LEU A 66 14.584 -0.932 4.943 1.00 0.00 H new ATOM 0 HB3 LEU A 66 15.494 0.248 4.019 1.00 0.00 H new ATOM 0 HG LEU A 66 16.101 -2.703 4.316 1.00 0.00 H new ATOM 0 HD11 LEU A 66 15.683 -2.740 1.828 1.00 0.00 H new ATOM 0 HD12 LEU A 66 14.258 -2.182 2.737 1.00 0.00 H new ATOM 0 HD13 LEU A 66 15.292 -1.005 1.894 1.00 0.00 H new ATOM 0 HD21 LEU A 66 17.939 -2.430 2.680 1.00 0.00 H new ATOM 0 HD22 LEU A 66 17.727 -0.665 2.758 1.00 0.00 H new ATOM 0 HD23 LEU A 66 18.244 -1.564 4.205 1.00 0.00 H new ATOM 931 N THR A 67 15.445 1.263 7.588 1.00 0.00 N ATOM 932 CA THR A 67 15.406 2.513 8.418 1.00 0.00 C ATOM 933 C THR A 67 16.511 2.641 9.530 1.00 0.00 C ATOM 934 O THR A 67 16.863 3.759 9.906 1.00 0.00 O ATOM 935 CB THR A 67 13.952 2.621 8.959 1.00 0.00 C ATOM 936 OG1 THR A 67 13.075 2.783 7.859 1.00 0.00 O ATOM 937 CG2 THR A 67 13.613 3.811 9.857 1.00 0.00 C ATOM 0 H THR A 67 14.867 0.513 7.966 1.00 0.00 H new ATOM 0 HA THR A 67 15.664 3.366 7.790 1.00 0.00 H new ATOM 0 HB THR A 67 13.848 1.712 9.552 1.00 0.00 H new ATOM 0 HG1 THR A 67 12.865 3.734 7.745 1.00 0.00 H new ATOM 0 HG21 THR A 67 12.567 3.754 10.157 1.00 0.00 H new ATOM 0 HG22 THR A 67 14.246 3.790 10.744 1.00 0.00 H new ATOM 0 HG23 THR A 67 13.784 4.739 9.311 1.00 0.00 H new ATOM 945 N ASN A 68 17.043 1.531 10.065 1.00 0.00 N ATOM 946 CA ASN A 68 18.036 1.494 11.163 1.00 0.00 C ATOM 947 C ASN A 68 19.161 0.430 10.827 1.00 0.00 C ATOM 948 O ASN A 68 19.234 -0.592 11.523 1.00 0.00 O ATOM 949 CB ASN A 68 17.192 1.182 12.445 1.00 0.00 C ATOM 950 CG ASN A 68 16.726 2.417 13.218 1.00 0.00 C ATOM 951 OD1 ASN A 68 17.501 3.092 13.885 1.00 0.00 O ATOM 952 ND2 ASN A 68 15.459 2.748 13.175 1.00 0.00 N ATOM 0 H ASN A 68 16.788 0.599 9.737 1.00 0.00 H new ATOM 0 HA ASN A 68 18.585 2.424 11.311 1.00 0.00 H new ATOM 0 HB2 ASN A 68 16.317 0.600 12.155 1.00 0.00 H new ATOM 0 HB3 ASN A 68 17.785 0.556 13.111 1.00 0.00 H new ATOM 0 HD21 ASN A 68 15.126 3.561 13.694 1.00 0.00 H new ATOM 0 HD22 ASN A 68 14.805 2.193 12.623 1.00 0.00 H new ATOM 959 N PRO A 69 20.084 0.602 9.819 1.00 0.00 N ATOM 960 CA PRO A 69 21.106 -0.427 9.460 1.00 0.00 C ATOM 961 C PRO A 69 22.137 -0.783 10.563 1.00 0.00 C ATOM 962 O PRO A 69 22.277 -1.949 10.937 1.00 0.00 O ATOM 963 CB PRO A 69 21.772 0.119 8.177 1.00 0.00 C ATOM 964 CG PRO A 69 20.795 1.141 7.609 1.00 0.00 C ATOM 965 CD PRO A 69 20.004 1.666 8.802 1.00 0.00 C ATOM 0 HA PRO A 69 20.618 -1.391 9.316 1.00 0.00 H new ATOM 0 HB2 PRO A 69 22.734 0.579 8.401 1.00 0.00 H new ATOM 0 HB3 PRO A 69 21.960 -0.682 7.462 1.00 0.00 H new ATOM 0 HG2 PRO A 69 21.324 1.949 7.104 1.00 0.00 H new ATOM 0 HG3 PRO A 69 20.134 0.683 6.872 1.00 0.00 H new ATOM 0 HD2 PRO A 69 20.427 2.599 9.175 1.00 0.00 H new ATOM 0 HD3 PRO A 69 18.969 1.872 8.528 1.00 0.00 H new ATOM 973 N LYS A 70 22.791 0.251 11.118 1.00 0.00 N ATOM 974 CA LYS A 70 23.628 0.128 12.348 1.00 0.00 C ATOM 975 C LYS A 70 22.855 0.246 13.715 1.00 0.00 C ATOM 976 O LYS A 70 23.403 0.691 14.727 1.00 0.00 O ATOM 977 CB LYS A 70 24.832 1.093 12.171 1.00 0.00 C ATOM 978 CG LYS A 70 24.474 2.595 12.162 1.00 0.00 C ATOM 979 CD LYS A 70 25.630 3.535 11.764 1.00 0.00 C ATOM 980 CE LYS A 70 25.949 3.511 10.254 1.00 0.00 C ATOM 981 NZ LYS A 70 27.037 4.456 9.943 1.00 0.00 N ATOM 0 H LYS A 70 22.762 1.197 10.737 1.00 0.00 H new ATOM 0 HA LYS A 70 23.991 -0.896 12.440 1.00 0.00 H new ATOM 0 HB2 LYS A 70 25.545 0.910 12.975 1.00 0.00 H new ATOM 0 HB3 LYS A 70 25.337 0.851 11.236 1.00 0.00 H new ATOM 0 HG2 LYS A 70 23.644 2.752 11.473 1.00 0.00 H new ATOM 0 HG3 LYS A 70 24.122 2.876 13.155 1.00 0.00 H new ATOM 0 HD2 LYS A 70 25.377 4.554 12.058 1.00 0.00 H new ATOM 0 HD3 LYS A 70 26.524 3.255 12.321 1.00 0.00 H new ATOM 0 HE2 LYS A 70 26.237 2.504 9.953 1.00 0.00 H new ATOM 0 HE3 LYS A 70 25.058 3.772 9.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 27.240 4.428 8.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 26.749 5.418 10.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 27.891 4.189 10.473 1.00 0.00 H new ATOM 994 N ALA A 71 21.607 -0.241 13.745 1.00 0.00 N ATOM 995 CA ALA A 71 20.757 -0.356 14.956 1.00 0.00 C ATOM 996 C ALA A 71 20.013 -1.736 15.025 1.00 0.00 C ATOM 997 O ALA A 71 20.010 -2.344 16.097 1.00 0.00 O ATOM 998 CB ALA A 71 19.854 0.891 15.004 1.00 0.00 C ATOM 0 H ALA A 71 21.139 -0.579 12.904 1.00 0.00 H new ATOM 0 HA ALA A 71 21.356 -0.365 15.867 1.00 0.00 H new ATOM 0 HB1 ALA A 71 19.212 0.842 15.884 1.00 0.00 H new ATOM 0 HB2 ALA A 71 20.473 1.787 15.056 1.00 0.00 H new ATOM 0 HB3 ALA A 71 19.237 0.928 14.106 1.00 0.00 H new ATOM 1004 N VAL A 72 19.468 -2.295 13.913 1.00 0.00 N ATOM 1005 CA VAL A 72 19.225 -3.773 13.793 1.00 0.00 C ATOM 1006 C VAL A 72 20.579 -4.579 13.782 1.00 0.00 C ATOM 1007 O VAL A 72 20.741 -5.485 14.604 1.00 0.00 O ATOM 1008 CB VAL A 72 18.274 -4.100 12.582 1.00 0.00 C ATOM 1009 CG1 VAL A 72 18.130 -5.612 12.276 1.00 0.00 C ATOM 1010 CG2 VAL A 72 16.836 -3.553 12.736 1.00 0.00 C ATOM 0 H VAL A 72 19.189 -1.759 13.091 1.00 0.00 H new ATOM 0 HA VAL A 72 18.693 -4.111 14.682 1.00 0.00 H new ATOM 0 HB VAL A 72 18.785 -3.594 11.763 1.00 0.00 H new ATOM 0 HG11 VAL A 72 17.458 -5.749 11.429 1.00 0.00 H new ATOM 0 HG12 VAL A 72 19.108 -6.029 12.035 1.00 0.00 H new ATOM 0 HG13 VAL A 72 17.722 -6.123 13.148 1.00 0.00 H new ATOM 0 HG21 VAL A 72 16.248 -3.823 11.859 1.00 0.00 H new ATOM 0 HG22 VAL A 72 16.377 -3.982 13.626 1.00 0.00 H new ATOM 0 HG23 VAL A 72 16.868 -2.468 12.832 1.00 0.00 H new ATOM 1020 N VAL A 73 21.538 -4.260 12.886 1.00 0.00 N ATOM 1021 CA VAL A 73 22.914 -4.852 12.933 1.00 0.00 C ATOM 1022 C VAL A 73 23.889 -3.760 13.493 1.00 0.00 C ATOM 1023 O VAL A 73 24.626 -3.120 12.736 1.00 0.00 O ATOM 1024 CB VAL A 73 23.367 -5.408 11.537 1.00 0.00 C ATOM 1025 CG1 VAL A 73 24.735 -6.123 11.603 1.00 0.00 C ATOM 1026 CG2 VAL A 73 22.389 -6.421 10.898 1.00 0.00 C ATOM 0 H VAL A 73 21.396 -3.600 12.121 1.00 0.00 H new ATOM 0 HA VAL A 73 22.923 -5.718 13.595 1.00 0.00 H new ATOM 0 HB VAL A 73 23.409 -4.507 10.925 1.00 0.00 H new ATOM 0 HG11 VAL A 73 25.002 -6.489 10.612 1.00 0.00 H new ATOM 0 HG12 VAL A 73 25.495 -5.423 11.949 1.00 0.00 H new ATOM 0 HG13 VAL A 73 24.674 -6.963 12.295 1.00 0.00 H new ATOM 0 HG21 VAL A 73 22.783 -6.751 9.937 1.00 0.00 H new ATOM 0 HG22 VAL A 73 22.274 -7.281 11.558 1.00 0.00 H new ATOM 0 HG23 VAL A 73 21.419 -5.946 10.748 1.00 0.00 H new ATOM 1036 N LYS A 74 23.906 -3.544 14.821 1.00 0.00 N ATOM 1037 CA LYS A 74 24.723 -2.469 15.457 1.00 0.00 C ATOM 1038 C LYS A 74 26.270 -2.678 15.297 1.00 0.00 C ATOM 1039 O LYS A 74 26.840 -3.671 15.761 1.00 0.00 O ATOM 1040 CB LYS A 74 24.233 -2.235 16.918 1.00 0.00 C ATOM 1041 CG LYS A 74 24.639 -3.222 18.044 1.00 0.00 C ATOM 1042 CD LYS A 74 24.034 -4.641 17.940 1.00 0.00 C ATOM 1043 CE LYS A 74 24.379 -5.574 19.116 1.00 0.00 C ATOM 1044 NZ LYS A 74 25.790 -6.010 19.077 1.00 0.00 N ATOM 0 H LYS A 74 23.364 -4.097 15.485 1.00 0.00 H new ATOM 0 HA LYS A 74 24.559 -1.538 14.915 1.00 0.00 H new ATOM 0 HB2 LYS A 74 24.573 -1.244 17.218 1.00 0.00 H new ATOM 0 HB3 LYS A 74 23.144 -2.204 16.893 1.00 0.00 H new ATOM 0 HG2 LYS A 74 25.725 -3.310 18.051 1.00 0.00 H new ATOM 0 HG3 LYS A 74 24.347 -2.792 19.002 1.00 0.00 H new ATOM 0 HD2 LYS A 74 22.950 -4.555 17.868 1.00 0.00 H new ATOM 0 HD3 LYS A 74 24.379 -5.102 17.015 1.00 0.00 H new ATOM 0 HE2 LYS A 74 24.184 -5.060 20.057 1.00 0.00 H new ATOM 0 HE3 LYS A 74 23.728 -6.448 19.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 25.982 -6.636 19.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 25.970 -6.523 18.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 26.412 -5.178 19.128 1.00 0.00 H new ATOM 1057 N GLY A 75 26.919 -1.759 14.564 1.00 0.00 N ATOM 1058 CA GLY A 75 28.304 -1.968 14.058 1.00 0.00 C ATOM 1059 C GLY A 75 28.488 -2.656 12.680 1.00 0.00 C ATOM 1060 O GLY A 75 29.540 -3.262 12.464 1.00 0.00 O ATOM 0 H GLY A 75 26.514 -0.860 14.303 1.00 0.00 H new ATOM 0 HA2 GLY A 75 28.791 -0.994 14.011 1.00 0.00 H new ATOM 0 HA3 GLY A 75 28.843 -2.558 14.799 1.00 0.00 H new ATOM 1064 N THR A 76 27.543 -2.532 11.727 1.00 0.00 N ATOM 1065 CA THR A 76 27.752 -2.950 10.317 1.00 0.00 C ATOM 1066 C THR A 76 28.744 -2.019 9.550 1.00 0.00 C ATOM 1067 O THR A 76 28.767 -0.797 9.729 1.00 0.00 O ATOM 1068 CB THR A 76 26.367 -3.074 9.602 1.00 0.00 C ATOM 1069 OG1 THR A 76 26.547 -3.578 8.287 1.00 0.00 O ATOM 1070 CG2 THR A 76 25.523 -1.797 9.445 1.00 0.00 C ATOM 0 H THR A 76 26.617 -2.142 11.906 1.00 0.00 H new ATOM 0 HA THR A 76 28.232 -3.929 10.316 1.00 0.00 H new ATOM 0 HB THR A 76 25.818 -3.730 10.278 1.00 0.00 H new ATOM 0 HG1 THR A 76 25.705 -3.506 7.791 1.00 0.00 H new ATOM 0 HG21 THR A 76 24.592 -2.037 8.932 1.00 0.00 H new ATOM 0 HG22 THR A 76 25.299 -1.385 10.429 1.00 0.00 H new ATOM 0 HG23 THR A 76 26.079 -1.063 8.862 1.00 0.00 H new ATOM 1078 N LYS A 77 29.484 -2.607 8.599 1.00 0.00 N ATOM 1079 CA LYS A 77 30.170 -1.827 7.525 1.00 0.00 C ATOM 1080 C LYS A 77 29.240 -1.229 6.398 1.00 0.00 C ATOM 1081 O LYS A 77 29.765 -0.680 5.426 1.00 0.00 O ATOM 1082 CB LYS A 77 31.315 -2.737 6.979 1.00 0.00 C ATOM 1083 CG LYS A 77 32.657 -2.667 7.764 1.00 0.00 C ATOM 1084 CD LYS A 77 33.366 -3.999 8.103 1.00 0.00 C ATOM 1085 CE LYS A 77 33.592 -4.974 6.934 1.00 0.00 C ATOM 1086 NZ LYS A 77 34.413 -6.122 7.370 1.00 0.00 N ATOM 0 H LYS A 77 29.631 -3.615 8.540 1.00 0.00 H new ATOM 0 HA LYS A 77 30.567 -0.910 7.960 1.00 0.00 H new ATOM 0 HB2 LYS A 77 30.967 -3.770 6.980 1.00 0.00 H new ATOM 0 HB3 LYS A 77 31.507 -2.467 5.941 1.00 0.00 H new ATOM 0 HG2 LYS A 77 33.351 -2.056 7.187 1.00 0.00 H new ATOM 0 HG3 LYS A 77 32.470 -2.140 8.700 1.00 0.00 H new ATOM 0 HD2 LYS A 77 34.335 -3.767 8.546 1.00 0.00 H new ATOM 0 HD3 LYS A 77 32.781 -4.512 8.867 1.00 0.00 H new ATOM 0 HE2 LYS A 77 32.632 -5.328 6.557 1.00 0.00 H new ATOM 0 HE3 LYS A 77 34.087 -4.457 6.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 34.905 -6.529 6.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 35.113 -5.802 8.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 33.800 -6.844 7.799 1.00 0.00 H new ATOM 1099 N MET A 78 27.890 -1.253 6.530 1.00 0.00 N ATOM 1100 CA MET A 78 26.979 -0.530 5.601 1.00 0.00 C ATOM 1101 C MET A 78 26.894 0.974 6.008 1.00 0.00 C ATOM 1102 O MET A 78 26.192 1.336 6.960 1.00 0.00 O ATOM 1103 CB MET A 78 25.602 -1.260 5.512 1.00 0.00 C ATOM 1104 CG MET A 78 24.566 -0.538 4.611 1.00 0.00 C ATOM 1105 SD MET A 78 23.407 -1.627 3.674 1.00 0.00 S ATOM 1106 CE MET A 78 21.881 -0.684 4.084 1.00 0.00 C ATOM 0 H MET A 78 27.407 -1.764 7.269 1.00 0.00 H new ATOM 0 HA MET A 78 27.377 -0.543 4.586 1.00 0.00 H new ATOM 0 HB2 MET A 78 25.760 -2.269 5.131 1.00 0.00 H new ATOM 0 HB3 MET A 78 25.189 -1.360 6.516 1.00 0.00 H new ATOM 0 HG2 MET A 78 23.977 0.133 5.236 1.00 0.00 H new ATOM 0 HG3 MET A 78 25.106 0.083 3.897 1.00 0.00 H new ATOM 0 HE1 MET A 78 21.010 -1.220 3.707 1.00 0.00 H new ATOM 0 HE2 MET A 78 21.800 -0.575 5.166 1.00 0.00 H new ATOM 0 HE3 MET A 78 21.928 0.302 3.623 1.00 0.00 H new ATOM 1116 N ALA A 79 27.584 1.851 5.250 1.00 0.00 N ATOM 1117 CA ALA A 79 27.535 3.322 5.476 1.00 0.00 C ATOM 1118 C ALA A 79 26.243 3.995 4.895 1.00 0.00 C ATOM 1119 O ALA A 79 26.257 4.732 3.905 1.00 0.00 O ATOM 1120 CB ALA A 79 28.858 3.884 4.919 1.00 0.00 C ATOM 0 H ALA A 79 28.184 1.572 4.474 1.00 0.00 H new ATOM 0 HA ALA A 79 27.454 3.555 6.538 1.00 0.00 H new ATOM 0 HB1 ALA A 79 28.881 4.965 5.057 1.00 0.00 H new ATOM 0 HB2 ALA A 79 29.697 3.433 5.449 1.00 0.00 H new ATOM 0 HB3 ALA A 79 28.933 3.652 3.857 1.00 0.00 H new ATOM 1126 N PHE A 80 25.115 3.710 5.560 1.00 0.00 N ATOM 1127 CA PHE A 80 23.766 4.181 5.169 1.00 0.00 C ATOM 1128 C PHE A 80 22.990 4.567 6.469 1.00 0.00 C ATOM 1129 O PHE A 80 22.953 3.806 7.444 1.00 0.00 O ATOM 1130 CB PHE A 80 23.082 3.046 4.354 1.00 0.00 C ATOM 1131 CG PHE A 80 21.757 3.432 3.684 1.00 0.00 C ATOM 1132 CD1 PHE A 80 21.756 4.200 2.515 1.00 0.00 C ATOM 1133 CD2 PHE A 80 20.538 3.016 4.230 1.00 0.00 C ATOM 1134 CE1 PHE A 80 20.554 4.544 1.902 1.00 0.00 C ATOM 1135 CE2 PHE A 80 19.338 3.370 3.628 1.00 0.00 C ATOM 1136 CZ PHE A 80 19.349 4.132 2.465 1.00 0.00 C ATOM 0 H PHE A 80 25.107 3.135 6.402 1.00 0.00 H new ATOM 0 HA PHE A 80 23.794 5.067 4.535 1.00 0.00 H new ATOM 0 HB2 PHE A 80 23.774 2.705 3.584 1.00 0.00 H new ATOM 0 HB3 PHE A 80 22.902 2.201 5.018 1.00 0.00 H new ATOM 0 HD1 PHE A 80 22.691 4.528 2.086 1.00 0.00 H new ATOM 0 HD2 PHE A 80 20.530 2.415 5.127 1.00 0.00 H new ATOM 0 HE1 PHE A 80 20.556 5.128 0.994 1.00 0.00 H new ATOM 0 HE2 PHE A 80 18.400 3.055 4.061 1.00 0.00 H new ATOM 0 HZ PHE A 80 18.416 4.406 1.995 1.00 0.00 H new ATOM 1146 N ALA A 81 22.355 5.750 6.482 1.00 0.00 N ATOM 1147 CA ALA A 81 21.633 6.254 7.682 1.00 0.00 C ATOM 1148 C ALA A 81 20.219 5.642 7.935 1.00 0.00 C ATOM 1149 O ALA A 81 19.907 5.296 9.077 1.00 0.00 O ATOM 1150 CB ALA A 81 21.602 7.791 7.574 1.00 0.00 C ATOM 0 H ALA A 81 22.322 6.381 5.681 1.00 0.00 H new ATOM 0 HA ALA A 81 22.178 5.924 8.566 1.00 0.00 H new ATOM 0 HB1 ALA A 81 21.080 8.206 8.436 1.00 0.00 H new ATOM 0 HB2 ALA A 81 22.622 8.175 7.548 1.00 0.00 H new ATOM 0 HB3 ALA A 81 21.082 8.081 6.661 1.00 0.00 H new ATOM 1156 N GLY A 82 19.373 5.531 6.896 1.00 0.00 N ATOM 1157 CA GLY A 82 17.976 5.060 7.063 1.00 0.00 C ATOM 1158 C GLY A 82 16.942 5.657 6.085 1.00 0.00 C ATOM 1159 O GLY A 82 16.863 6.873 5.896 1.00 0.00 O ATOM 0 H GLY A 82 19.625 5.758 5.934 1.00 0.00 H new ATOM 0 HA2 GLY A 82 17.964 3.975 6.957 1.00 0.00 H new ATOM 0 HA3 GLY A 82 17.657 5.284 8.081 1.00 0.00 H new ATOM 1163 N LEU A 83 16.075 4.793 5.540 1.00 0.00 N ATOM 1164 CA LEU A 83 14.866 5.215 4.783 1.00 0.00 C ATOM 1165 C LEU A 83 13.669 5.666 5.701 1.00 0.00 C ATOM 1166 O LEU A 83 13.352 4.938 6.650 1.00 0.00 O ATOM 1167 CB LEU A 83 14.426 4.055 3.843 1.00 0.00 C ATOM 1168 CG LEU A 83 15.212 3.935 2.514 1.00 0.00 C ATOM 1169 CD1 LEU A 83 14.771 2.686 1.740 1.00 0.00 C ATOM 1170 CD2 LEU A 83 15.000 5.172 1.622 1.00 0.00 C ATOM 0 H LEU A 83 16.183 3.781 5.606 1.00 0.00 H new ATOM 0 HA LEU A 83 15.139 6.097 4.203 1.00 0.00 H new ATOM 0 HB2 LEU A 83 14.521 3.115 4.387 1.00 0.00 H new ATOM 0 HB3 LEU A 83 13.369 4.182 3.609 1.00 0.00 H new ATOM 0 HG LEU A 83 16.269 3.859 2.770 1.00 0.00 H new ATOM 0 HD11 LEU A 83 15.334 2.617 0.809 1.00 0.00 H new ATOM 0 HD12 LEU A 83 14.959 1.798 2.344 1.00 0.00 H new ATOM 0 HD13 LEU A 83 13.706 2.754 1.517 1.00 0.00 H new ATOM 0 HD21 LEU A 83 15.566 5.055 0.698 1.00 0.00 H new ATOM 0 HD22 LEU A 83 13.940 5.275 1.389 1.00 0.00 H new ATOM 0 HD23 LEU A 83 15.344 6.063 2.148 1.00 0.00 H new ATOM 1182 N PRO A 84 12.953 6.807 5.458 1.00 0.00 N ATOM 1183 CA PRO A 84 11.905 7.310 6.391 1.00 0.00 C ATOM 1184 C PRO A 84 10.492 6.651 6.269 1.00 0.00 C ATOM 1185 O PRO A 84 9.955 6.188 7.279 1.00 0.00 O ATOM 1186 CB PRO A 84 11.937 8.825 6.098 1.00 0.00 C ATOM 1187 CG PRO A 84 12.329 8.947 4.621 1.00 0.00 C ATOM 1188 CD PRO A 84 13.277 7.770 4.383 1.00 0.00 C ATOM 0 HA PRO A 84 12.114 7.051 7.429 1.00 0.00 H new ATOM 0 HB2 PRO A 84 10.965 9.282 6.285 1.00 0.00 H new ATOM 0 HB3 PRO A 84 12.657 9.334 6.739 1.00 0.00 H new ATOM 0 HG2 PRO A 84 11.455 8.892 3.972 1.00 0.00 H new ATOM 0 HG3 PRO A 84 12.818 9.899 4.417 1.00 0.00 H new ATOM 0 HD2 PRO A 84 13.124 7.330 3.397 1.00 0.00 H new ATOM 0 HD3 PRO A 84 14.320 8.084 4.433 1.00 0.00 H new ATOM 1196 N LYS A 85 9.878 6.611 5.070 1.00 0.00 N ATOM 1197 CA LYS A 85 8.484 6.126 4.889 1.00 0.00 C ATOM 1198 C LYS A 85 8.440 4.583 4.692 1.00 0.00 C ATOM 1199 O LYS A 85 9.280 3.987 4.008 1.00 0.00 O ATOM 1200 CB LYS A 85 7.821 6.818 3.670 1.00 0.00 C ATOM 1201 CG LYS A 85 7.738 8.366 3.714 1.00 0.00 C ATOM 1202 CD LYS A 85 7.057 9.009 2.488 1.00 0.00 C ATOM 1203 CE LYS A 85 5.526 8.856 2.464 1.00 0.00 C ATOM 1204 NZ LYS A 85 4.975 9.496 1.253 1.00 0.00 N ATOM 0 H LYS A 85 10.325 6.910 4.203 1.00 0.00 H new ATOM 0 HA LYS A 85 7.932 6.377 5.795 1.00 0.00 H new ATOM 0 HB2 LYS A 85 8.371 6.531 2.774 1.00 0.00 H new ATOM 0 HB3 LYS A 85 6.810 6.425 3.563 1.00 0.00 H new ATOM 0 HG2 LYS A 85 7.195 8.662 4.611 1.00 0.00 H new ATOM 0 HG3 LYS A 85 8.747 8.768 3.805 1.00 0.00 H new ATOM 0 HD2 LYS A 85 7.305 10.070 2.464 1.00 0.00 H new ATOM 0 HD3 LYS A 85 7.470 8.564 1.582 1.00 0.00 H new ATOM 0 HE2 LYS A 85 5.257 7.800 2.482 1.00 0.00 H new ATOM 0 HE3 LYS A 85 5.093 9.310 3.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 3.941 9.389 1.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 5.218 10.507 1.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 5.378 9.044 0.408 1.00 0.00 H new ATOM 1217 N ILE A 86 7.412 3.936 5.262 1.00 0.00 N ATOM 1218 CA ILE A 86 7.147 2.473 5.060 1.00 0.00 C ATOM 1219 C ILE A 86 6.894 2.070 3.563 1.00 0.00 C ATOM 1220 O ILE A 86 7.420 1.049 3.119 1.00 0.00 O ATOM 1221 CB ILE A 86 6.074 1.998 6.107 1.00 0.00 C ATOM 1222 CG1 ILE A 86 6.151 0.494 6.507 1.00 0.00 C ATOM 1223 CG2 ILE A 86 4.617 2.439 5.810 1.00 0.00 C ATOM 1224 CD1 ILE A 86 5.693 -0.562 5.485 1.00 0.00 C ATOM 0 H ILE A 86 6.736 4.393 5.874 1.00 0.00 H new ATOM 0 HA ILE A 86 8.055 1.906 5.268 1.00 0.00 H new ATOM 0 HB ILE A 86 6.380 2.556 6.992 1.00 0.00 H new ATOM 0 HG12 ILE A 86 7.185 0.274 6.770 1.00 0.00 H new ATOM 0 HG13 ILE A 86 5.556 0.360 7.411 1.00 0.00 H new ATOM 0 HG21 ILE A 86 3.956 2.061 6.590 1.00 0.00 H new ATOM 0 HG22 ILE A 86 4.564 3.527 5.786 1.00 0.00 H new ATOM 0 HG23 ILE A 86 4.305 2.039 4.845 1.00 0.00 H new ATOM 0 HD11 ILE A 86 5.808 -1.557 5.914 1.00 0.00 H new ATOM 0 HD12 ILE A 86 4.646 -0.395 5.233 1.00 0.00 H new ATOM 0 HD13 ILE A 86 6.300 -0.483 4.583 1.00 0.00 H new ATOM 1236 N GLU A 87 6.210 2.920 2.763 1.00 0.00 N ATOM 1237 CA GLU A 87 6.125 2.733 1.285 1.00 0.00 C ATOM 1238 C GLU A 87 7.468 2.830 0.491 1.00 0.00 C ATOM 1239 O GLU A 87 7.595 2.167 -0.537 1.00 0.00 O ATOM 1240 CB GLU A 87 4.994 3.627 0.701 1.00 0.00 C ATOM 1241 CG GLU A 87 5.105 5.175 0.788 1.00 0.00 C ATOM 1242 CD GLU A 87 6.102 5.847 -0.157 1.00 0.00 C ATOM 1243 OE1 GLU A 87 5.685 5.827 -1.453 1.00 0.00 O ATOM 1244 OE2 GLU A 87 7.158 6.352 0.210 1.00 0.00 O ATOM 0 H GLU A 87 5.710 3.739 3.108 1.00 0.00 H new ATOM 0 HA GLU A 87 5.865 1.685 1.138 1.00 0.00 H new ATOM 0 HB2 GLU A 87 4.887 3.368 -0.352 1.00 0.00 H new ATOM 0 HB3 GLU A 87 4.066 3.340 1.195 1.00 0.00 H new ATOM 0 HG2 GLU A 87 4.118 5.598 0.598 1.00 0.00 H new ATOM 0 HG3 GLU A 87 5.374 5.440 1.811 1.00 0.00 H new ATOM 1251 N ASP A 88 8.476 3.598 0.957 1.00 0.00 N ATOM 1252 CA ASP A 88 9.792 3.698 0.262 1.00 0.00 C ATOM 1253 C ASP A 88 10.590 2.349 0.311 1.00 0.00 C ATOM 1254 O ASP A 88 10.885 1.766 -0.738 1.00 0.00 O ATOM 1255 CB ASP A 88 10.536 4.940 0.833 1.00 0.00 C ATOM 1256 CG ASP A 88 11.786 5.359 0.066 1.00 0.00 C ATOM 1257 OD1 ASP A 88 12.598 4.569 -0.393 1.00 0.00 O ATOM 1258 OD2 ASP A 88 11.939 6.710 -0.003 1.00 0.00 O ATOM 0 H ASP A 88 8.411 4.158 1.807 1.00 0.00 H new ATOM 0 HA ASP A 88 9.662 3.858 -0.808 1.00 0.00 H new ATOM 0 HB2 ASP A 88 9.843 5.781 0.853 1.00 0.00 H new ATOM 0 HB3 ASP A 88 10.816 4.733 1.866 1.00 0.00 H new ATOM 1263 N ARG A 89 10.862 1.830 1.521 1.00 0.00 N ATOM 1264 CA ARG A 89 11.392 0.454 1.704 1.00 0.00 C ATOM 1265 C ARG A 89 10.467 -0.733 1.263 1.00 0.00 C ATOM 1266 O ARG A 89 11.000 -1.679 0.688 1.00 0.00 O ATOM 1267 CB ARG A 89 11.995 0.333 3.124 1.00 0.00 C ATOM 1268 CG ARG A 89 11.041 0.444 4.341 1.00 0.00 C ATOM 1269 CD ARG A 89 11.383 1.581 5.326 1.00 0.00 C ATOM 1270 NE ARG A 89 10.906 1.206 6.690 1.00 0.00 N ATOM 1271 CZ ARG A 89 10.293 1.987 7.570 1.00 0.00 C ATOM 1272 NH1 ARG A 89 9.885 3.195 7.312 1.00 0.00 N ATOM 1273 NH2 ARG A 89 10.127 1.521 8.772 1.00 0.00 N ATOM 0 H ARG A 89 10.725 2.340 2.394 1.00 0.00 H new ATOM 0 HA ARG A 89 12.188 0.324 0.971 1.00 0.00 H new ATOM 0 HB2 ARG A 89 12.504 -0.629 3.188 1.00 0.00 H new ATOM 0 HB3 ARG A 89 12.757 1.105 3.228 1.00 0.00 H new ATOM 0 HG2 ARG A 89 10.024 0.591 3.976 1.00 0.00 H new ATOM 0 HG3 ARG A 89 11.052 -0.502 4.882 1.00 0.00 H new ATOM 0 HD2 ARG A 89 12.459 1.756 5.339 1.00 0.00 H new ATOM 0 HD3 ARG A 89 10.912 2.510 5.005 1.00 0.00 H new ATOM 0 HE ARG A 89 11.070 0.241 6.978 1.00 0.00 H new ATOM 0 HH11 ARG A 89 10.030 3.595 6.385 1.00 0.00 H new ATOM 0 HH12 ARG A 89 9.420 3.742 8.036 1.00 0.00 H new ATOM 0 HH21 ARG A 89 10.463 0.587 9.008 1.00 0.00 H new ATOM 0 HH22 ARG A 89 9.661 2.089 9.479 1.00 0.00 H new ATOM 1287 N ALA A 90 9.127 -0.704 1.437 1.00 0.00 N ATOM 1288 CA ALA A 90 8.209 -1.704 0.814 1.00 0.00 C ATOM 1289 C ALA A 90 8.178 -1.785 -0.749 1.00 0.00 C ATOM 1290 O ALA A 90 8.208 -2.893 -1.291 1.00 0.00 O ATOM 1291 CB ALA A 90 6.809 -1.494 1.415 1.00 0.00 C ATOM 0 H ALA A 90 8.650 -0.002 2.002 1.00 0.00 H new ATOM 0 HA ALA A 90 8.619 -2.683 1.061 1.00 0.00 H new ATOM 0 HB1 ALA A 90 6.114 -2.212 0.979 1.00 0.00 H new ATOM 0 HB2 ALA A 90 6.851 -1.640 2.494 1.00 0.00 H new ATOM 0 HB3 ALA A 90 6.468 -0.481 1.199 1.00 0.00 H new ATOM 1297 N ASN A 91 8.184 -0.648 -1.472 1.00 0.00 N ATOM 1298 CA ASN A 91 8.462 -0.609 -2.944 1.00 0.00 C ATOM 1299 C ASN A 91 9.833 -1.256 -3.355 1.00 0.00 C ATOM 1300 O ASN A 91 9.872 -2.148 -4.208 1.00 0.00 O ATOM 1301 CB ASN A 91 8.357 0.861 -3.451 1.00 0.00 C ATOM 1302 CG ASN A 91 6.967 1.513 -3.466 1.00 0.00 C ATOM 1303 OD1 ASN A 91 5.922 0.876 -3.476 1.00 0.00 O ATOM 1304 ND2 ASN A 91 6.902 2.820 -3.505 1.00 0.00 N ATOM 0 H ASN A 91 7.999 0.270 -1.067 1.00 0.00 H new ATOM 0 HA ASN A 91 7.705 -1.226 -3.427 1.00 0.00 H new ATOM 0 HB2 ASN A 91 9.010 1.477 -2.832 1.00 0.00 H new ATOM 0 HB3 ASN A 91 8.754 0.895 -4.465 1.00 0.00 H new ATOM 0 HD21 ASN A 91 5.995 3.285 -3.543 1.00 0.00 H new ATOM 0 HD22 ASN A 91 7.759 3.374 -3.498 1.00 0.00 H new ATOM 1311 N LEU A 92 10.937 -0.843 -2.704 1.00 0.00 N ATOM 1312 CA LEU A 92 12.267 -1.508 -2.798 1.00 0.00 C ATOM 1313 C LEU A 92 12.295 -3.044 -2.458 1.00 0.00 C ATOM 1314 O LEU A 92 12.797 -3.830 -3.261 1.00 0.00 O ATOM 1315 CB LEU A 92 13.246 -0.685 -1.904 1.00 0.00 C ATOM 1316 CG LEU A 92 14.692 -0.494 -2.424 1.00 0.00 C ATOM 1317 CD1 LEU A 92 15.495 0.287 -1.375 1.00 0.00 C ATOM 1318 CD2 LEU A 92 15.433 -1.802 -2.727 1.00 0.00 C ATOM 0 H LEU A 92 10.939 -0.029 -2.089 1.00 0.00 H new ATOM 0 HA LEU A 92 12.571 -1.505 -3.845 1.00 0.00 H new ATOM 0 HB2 LEU A 92 12.811 0.302 -1.747 1.00 0.00 H new ATOM 0 HB3 LEU A 92 13.299 -1.168 -0.929 1.00 0.00 H new ATOM 0 HG LEU A 92 14.609 0.043 -3.369 1.00 0.00 H new ATOM 0 HD11 LEU A 92 16.516 0.428 -1.729 1.00 0.00 H new ATOM 0 HD12 LEU A 92 15.030 1.259 -1.211 1.00 0.00 H new ATOM 0 HD13 LEU A 92 15.510 -0.271 -0.439 1.00 0.00 H new ATOM 0 HD21 LEU A 92 16.437 -1.577 -3.086 1.00 0.00 H new ATOM 0 HD22 LEU A 92 15.498 -2.402 -1.819 1.00 0.00 H new ATOM 0 HD23 LEU A 92 14.891 -2.358 -3.492 1.00 0.00 H new ATOM 1330 N ILE A 93 11.735 -3.481 -1.312 1.00 0.00 N ATOM 1331 CA ILE A 93 11.600 -4.925 -0.926 1.00 0.00 C ATOM 1332 C ILE A 93 10.749 -5.765 -1.947 1.00 0.00 C ATOM 1333 O ILE A 93 11.186 -6.856 -2.321 1.00 0.00 O ATOM 1334 CB ILE A 93 11.153 -5.019 0.585 1.00 0.00 C ATOM 1335 CG1 ILE A 93 12.259 -4.515 1.572 1.00 0.00 C ATOM 1336 CG2 ILE A 93 10.709 -6.435 1.037 1.00 0.00 C ATOM 1337 CD1 ILE A 93 11.766 -4.109 2.975 1.00 0.00 C ATOM 0 H ILE A 93 11.355 -2.844 -0.611 1.00 0.00 H new ATOM 0 HA ILE A 93 12.572 -5.413 -0.993 1.00 0.00 H new ATOM 0 HB ILE A 93 10.284 -4.363 0.629 1.00 0.00 H new ATOM 0 HG12 ILE A 93 13.007 -5.300 1.683 1.00 0.00 H new ATOM 0 HG13 ILE A 93 12.760 -3.659 1.121 1.00 0.00 H new ATOM 0 HG21 ILE A 93 10.419 -6.407 2.087 1.00 0.00 H new ATOM 0 HG22 ILE A 93 9.861 -6.760 0.435 1.00 0.00 H new ATOM 0 HG23 ILE A 93 11.535 -7.134 0.907 1.00 0.00 H new ATOM 0 HD11 ILE A 93 12.612 -3.776 3.576 1.00 0.00 H new ATOM 0 HD12 ILE A 93 11.043 -3.298 2.886 1.00 0.00 H new ATOM 0 HD13 ILE A 93 11.294 -4.965 3.457 1.00 0.00 H new ATOM 1349 N ALA A 94 9.605 -5.259 -2.450 1.00 0.00 N ATOM 1350 CA ALA A 94 8.919 -5.838 -3.643 1.00 0.00 C ATOM 1351 C ALA A 94 9.784 -6.000 -4.943 1.00 0.00 C ATOM 1352 O ALA A 94 9.752 -7.063 -5.571 1.00 0.00 O ATOM 1353 CB ALA A 94 7.660 -4.986 -3.892 1.00 0.00 C ATOM 0 H ALA A 94 9.129 -4.449 -2.054 1.00 0.00 H new ATOM 0 HA ALA A 94 8.680 -6.875 -3.407 1.00 0.00 H new ATOM 0 HB1 ALA A 94 7.124 -5.373 -4.758 1.00 0.00 H new ATOM 0 HB2 ALA A 94 7.013 -5.029 -3.016 1.00 0.00 H new ATOM 0 HB3 ALA A 94 7.951 -3.952 -4.078 1.00 0.00 H new ATOM 1359 N TYR A 95 10.589 -4.985 -5.321 1.00 0.00 N ATOM 1360 CA TYR A 95 11.656 -5.131 -6.356 1.00 0.00 C ATOM 1361 C TYR A 95 12.777 -6.178 -6.019 1.00 0.00 C ATOM 1362 O TYR A 95 13.076 -7.021 -6.865 1.00 0.00 O ATOM 1363 CB TYR A 95 12.174 -3.697 -6.664 1.00 0.00 C ATOM 1364 CG TYR A 95 13.180 -3.558 -7.819 1.00 0.00 C ATOM 1365 CD1 TYR A 95 12.773 -3.777 -9.139 1.00 0.00 C ATOM 1366 CD2 TYR A 95 14.498 -3.160 -7.564 1.00 0.00 C ATOM 1367 CE1 TYR A 95 13.674 -3.609 -10.188 1.00 0.00 C ATOM 1368 CE2 TYR A 95 15.392 -2.979 -8.618 1.00 0.00 C ATOM 1369 CZ TYR A 95 14.979 -3.203 -9.928 1.00 0.00 C ATOM 1370 OH TYR A 95 15.847 -3.019 -10.969 1.00 0.00 O ATOM 0 H TYR A 95 10.526 -4.046 -4.927 1.00 0.00 H new ATOM 0 HA TYR A 95 11.234 -5.579 -7.256 1.00 0.00 H new ATOM 0 HB2 TYR A 95 11.314 -3.065 -6.884 1.00 0.00 H new ATOM 0 HB3 TYR A 95 12.637 -3.301 -5.760 1.00 0.00 H new ATOM 0 HD1 TYR A 95 11.756 -4.077 -9.346 1.00 0.00 H new ATOM 0 HD2 TYR A 95 14.823 -2.993 -6.548 1.00 0.00 H new ATOM 0 HE1 TYR A 95 13.359 -3.794 -11.204 1.00 0.00 H new ATOM 0 HE2 TYR A 95 16.406 -2.665 -8.418 1.00 0.00 H new ATOM 0 HH TYR A 95 16.718 -2.735 -10.622 1.00 0.00 H new ATOM 1380 N LEU A 96 13.348 -6.184 -4.800 1.00 0.00 N ATOM 1381 CA LEU A 96 14.274 -7.263 -4.327 1.00 0.00 C ATOM 1382 C LEU A 96 13.701 -8.729 -4.272 1.00 0.00 C ATOM 1383 O LEU A 96 14.474 -9.680 -4.415 1.00 0.00 O ATOM 1384 CB LEU A 96 14.860 -6.849 -2.945 1.00 0.00 C ATOM 1385 CG LEU A 96 15.721 -5.560 -2.854 1.00 0.00 C ATOM 1386 CD1 LEU A 96 16.061 -5.243 -1.387 1.00 0.00 C ATOM 1387 CD2 LEU A 96 17.011 -5.658 -3.682 1.00 0.00 C ATOM 0 H LEU A 96 13.190 -5.451 -4.109 1.00 0.00 H new ATOM 0 HA LEU A 96 15.042 -7.333 -5.097 1.00 0.00 H new ATOM 0 HB2 LEU A 96 14.026 -6.738 -2.252 1.00 0.00 H new ATOM 0 HB3 LEU A 96 15.468 -7.678 -2.582 1.00 0.00 H new ATOM 0 HG LEU A 96 15.125 -4.750 -3.273 1.00 0.00 H new ATOM 0 HD11 LEU A 96 16.665 -4.337 -1.341 1.00 0.00 H new ATOM 0 HD12 LEU A 96 15.140 -5.094 -0.824 1.00 0.00 H new ATOM 0 HD13 LEU A 96 16.620 -6.073 -0.955 1.00 0.00 H new ATOM 0 HD21 LEU A 96 17.577 -4.732 -3.585 1.00 0.00 H new ATOM 0 HD22 LEU A 96 17.613 -6.491 -3.320 1.00 0.00 H new ATOM 0 HD23 LEU A 96 16.759 -5.821 -4.730 1.00 0.00 H new ATOM 1399 N GLU A 97 12.378 -8.922 -4.102 1.00 0.00 N ATOM 1400 CA GLU A 97 11.691 -10.225 -4.376 1.00 0.00 C ATOM 1401 C GLU A 97 11.715 -10.672 -5.882 1.00 0.00 C ATOM 1402 O GLU A 97 12.095 -11.811 -6.171 1.00 0.00 O ATOM 1403 CB GLU A 97 10.229 -10.166 -3.840 1.00 0.00 C ATOM 1404 CG GLU A 97 10.073 -10.123 -2.301 1.00 0.00 C ATOM 1405 CD GLU A 97 8.643 -9.889 -1.825 1.00 0.00 C ATOM 1406 OE1 GLU A 97 7.880 -11.015 -1.901 1.00 0.00 O ATOM 1407 OE2 GLU A 97 8.226 -8.811 -1.413 1.00 0.00 O ATOM 0 H GLU A 97 11.748 -8.191 -3.773 1.00 0.00 H new ATOM 0 HA GLU A 97 12.260 -10.989 -3.847 1.00 0.00 H new ATOM 0 HB2 GLU A 97 9.744 -9.284 -4.259 1.00 0.00 H new ATOM 0 HB3 GLU A 97 9.690 -11.035 -4.216 1.00 0.00 H new ATOM 0 HG2 GLU A 97 10.434 -11.063 -1.884 1.00 0.00 H new ATOM 0 HG3 GLU A 97 10.710 -9.333 -1.904 1.00 0.00 H new ATOM 1414 N GLY A 98 11.324 -9.797 -6.832 1.00 0.00 N ATOM 1415 CA GLY A 98 11.452 -10.080 -8.295 1.00 0.00 C ATOM 1416 C GLY A 98 12.863 -10.121 -8.945 1.00 0.00 C ATOM 1417 O GLY A 98 13.042 -10.792 -9.962 1.00 0.00 O ATOM 0 H GLY A 98 10.916 -8.886 -6.622 1.00 0.00 H new ATOM 0 HA2 GLY A 98 10.977 -11.043 -8.484 1.00 0.00 H new ATOM 0 HA3 GLY A 98 10.869 -9.327 -8.826 1.00 0.00 H new ATOM 1421 N GLN A 99 13.847 -9.405 -8.386 1.00 0.00 N ATOM 1422 CA GLN A 99 15.257 -9.408 -8.860 1.00 0.00 C ATOM 1423 C GLN A 99 16.050 -10.541 -8.138 1.00 0.00 C ATOM 1424 O GLN A 99 16.372 -10.437 -6.949 1.00 0.00 O ATOM 1425 CB GLN A 99 15.888 -8.013 -8.590 1.00 0.00 C ATOM 1426 CG GLN A 99 15.269 -6.798 -9.329 1.00 0.00 C ATOM 1427 CD GLN A 99 15.548 -6.716 -10.830 1.00 0.00 C ATOM 1428 OE1 GLN A 99 16.609 -6.288 -11.272 1.00 0.00 O ATOM 1429 NE2 GLN A 99 14.606 -7.097 -11.659 1.00 0.00 N ATOM 0 H GLN A 99 13.695 -8.797 -7.582 1.00 0.00 H new ATOM 0 HA GLN A 99 15.295 -9.602 -9.932 1.00 0.00 H new ATOM 0 HB2 GLN A 99 15.834 -7.820 -7.519 1.00 0.00 H new ATOM 0 HB3 GLN A 99 16.945 -8.064 -8.852 1.00 0.00 H new ATOM 0 HG2 GLN A 99 14.189 -6.819 -9.180 1.00 0.00 H new ATOM 0 HG3 GLN A 99 15.638 -5.886 -8.860 1.00 0.00 H new ATOM 0 HE21 GLN A 99 13.722 -7.454 -11.297 1.00 0.00 H new ATOM 0 HE22 GLN A 99 14.758 -7.037 -12.666 1.00 0.00 H new ATOM 1438 N GLN A 100 16.324 -11.635 -8.863 1.00 0.00 N ATOM 1439 CA GLN A 100 16.796 -12.906 -8.273 1.00 0.00 C ATOM 1440 C GLN A 100 17.762 -13.635 -9.239 1.00 0.00 C ATOM 1441 O GLN A 100 17.325 -14.146 -10.296 1.00 0.00 O ATOM 1442 CB GLN A 100 15.586 -13.747 -7.773 1.00 0.00 C ATOM 1443 CG GLN A 100 14.369 -13.942 -8.721 1.00 0.00 C ATOM 1444 CD GLN A 100 13.311 -14.928 -8.219 1.00 0.00 C ATOM 1445 OE1 GLN A 100 13.291 -16.101 -8.572 1.00 0.00 O ATOM 1446 NE2 GLN A 100 12.385 -14.499 -7.393 1.00 0.00 N ATOM 1447 OXT GLN A 100 18.980 -13.689 -8.934 1.00 0.00 O ATOM 0 H GLN A 100 16.226 -11.668 -9.878 1.00 0.00 H new ATOM 0 HA GLN A 100 17.396 -12.714 -7.383 1.00 0.00 H new ATOM 0 HB2 GLN A 100 15.959 -14.736 -7.506 1.00 0.00 H new ATOM 0 HB3 GLN A 100 15.220 -13.286 -6.856 1.00 0.00 H new ATOM 0 HG2 GLN A 100 13.895 -12.974 -8.883 1.00 0.00 H new ATOM 0 HG3 GLN A 100 14.733 -14.284 -9.690 1.00 0.00 H new ATOM 0 HE21 GLN A 100 12.385 -13.526 -7.088 1.00 0.00 H new ATOM 0 HE22 GLN A 100 11.666 -15.139 -7.057 1.00 0.00 H new TER 1456 GLN A 100 HETATM 1457 FE HEC A 101 23.840 -1.801 1.599 1.00 0.00 FE HETATM 1458 CHA HEC A 101 24.770 -4.682 3.220 1.00 0.00 C HETATM 1459 CHB HEC A 101 20.742 -3.373 1.503 1.00 0.00 C HETATM 1460 CHC HEC A 101 22.608 1.061 0.558 1.00 0.00 C HETATM 1461 CHD HEC A 101 26.776 -0.579 1.468 1.00 0.00 C HETATM 1462 NA HEC A 101 22.956 -3.447 2.340 1.00 0.00 N HETATM 1463 C1A HEC A 101 23.480 -4.512 2.919 1.00 0.00 C HETATM 1464 C2A HEC A 101 22.655 -5.558 3.189 1.00 0.00 C HETATM 1465 C3A HEC A 101 21.481 -5.155 2.738 1.00 0.00 C HETATM 1466 C4A HEC A 101 21.741 -3.945 2.178 1.00 0.00 C HETATM 1467 CMA HEC A 101 20.175 -5.985 2.766 1.00 0.00 C HETATM 1468 CAA HEC A 101 22.894 -6.920 3.889 1.00 0.00 C HETATM 1469 CBA HEC A 101 23.148 -8.092 2.912 1.00 0.00 C HETATM 1470 CGA HEC A 101 23.331 -9.481 3.548 1.00 0.00 C HETATM 1471 O1A HEC A 101 23.468 -9.595 4.789 1.00 0.00 O HETATM 1472 O2A HEC A 101 23.334 -10.477 2.791 1.00 0.00 O HETATM 1473 NB HEC A 101 22.103 -1.335 1.089 1.00 0.00 N HETATM 1474 C1B HEC A 101 20.881 -2.045 0.911 1.00 0.00 C HETATM 1475 C2B HEC A 101 19.869 -1.341 0.266 1.00 0.00 C HETATM 1476 C3B HEC A 101 20.335 -0.050 0.125 1.00 0.00 C HETATM 1477 C4B HEC A 101 21.649 -0.060 0.640 1.00 0.00 C HETATM 1478 CMB HEC A 101 18.528 -1.904 -0.244 1.00 0.00 C HETATM 1479 CAB HEC A 101 19.589 1.122 -0.549 1.00 0.00 C HETATM 1480 CBB HEC A 101 18.389 1.570 0.301 1.00 0.00 C HETATM 1481 NC HEC A 101 24.498 -0.076 1.329 1.00 0.00 N HETATM 1482 C1C HEC A 101 23.918 0.965 0.825 1.00 0.00 C HETATM 1483 C2C HEC A 101 24.753 1.976 0.492 1.00 0.00 C HETATM 1484 C3C HEC A 101 25.979 1.483 0.687 1.00 0.00 C HETATM 1485 C4C HEC A 101 25.749 0.239 1.183 1.00 0.00 C HETATM 1486 CMC HEC A 101 24.465 3.384 -0.052 1.00 0.00 C HETATM 1487 CAC HEC A 101 27.310 2.163 0.255 1.00 0.00 C HETATM 1488 CBC HEC A 101 27.597 3.525 0.911 1.00 0.00 C HETATM 1489 ND HEC A 101 25.427 -2.585 2.049 1.00 0.00 N HETATM 1490 C1D HEC A 101 26.681 -1.954 1.987 1.00 0.00 C HETATM 1491 C2D HEC A 101 27.724 -2.662 2.604 1.00 0.00 C HETATM 1492 C3D HEC A 101 27.157 -3.806 3.130 1.00 0.00 C HETATM 1493 C4D HEC A 101 25.799 -3.728 2.803 1.00 0.00 C HETATM 1494 CMD HEC A 101 29.198 -2.259 2.704 1.00 0.00 C HETATM 1495 CAD HEC A 101 27.886 -4.937 3.874 1.00 0.00 C HETATM 1496 CBD HEC A 101 27.834 -4.750 5.401 1.00 0.00 C HETATM 1497 CGD HEC A 101 28.627 -5.780 6.197 1.00 0.00 C HETATM 1498 O1D HEC A 101 29.857 -5.881 6.010 1.00 0.00 O HETATM 1499 O2D HEC A 101 28.030 -6.491 7.028 1.00 0.00 O HETATM 0 HMD3 HEC A 101 29.615 -2.153 1.702 1.00 0.00 H new HETATM 0 HMD2 HEC A 101 29.281 -1.310 3.234 1.00 0.00 H new HETATM 0 HMD1 HEC A 101 29.749 -3.027 3.247 1.00 0.00 H new HETATM 0 HMC3 HEC A 101 23.939 3.306 -1.003 1.00 0.00 H new HETATM 0 HMC2 HEC A 101 23.847 3.930 0.661 1.00 0.00 H new HETATM 0 HMC1 HEC A 101 25.405 3.916 -0.200 1.00 0.00 H new HETATM 0 HMB3 HEC A 101 18.718 -2.685 -0.981 1.00 0.00 H new HETATM 0 HMB2 HEC A 101 17.968 -2.322 0.592 1.00 0.00 H new HETATM 0 HMB1 HEC A 101 17.949 -1.104 -0.705 1.00 0.00 H new HETATM 0 HMA3 HEC A 101 20.314 -6.901 2.192 1.00 0.00 H new HETATM 0 HMA2 HEC A 101 19.926 -6.237 3.797 1.00 0.00 H new HETATM 0 HMA1 HEC A 101 19.364 -5.402 2.329 1.00 0.00 H new HETATM 0 HBD2 HEC A 101 28.209 -3.756 5.644 1.00 0.00 H new HETATM 0 HBD1 HEC A 101 26.793 -4.786 5.722 1.00 0.00 H new HETATM 0 HBC3 HEC A 101 26.798 4.224 0.662 1.00 0.00 H new HETATM 0 HBC2 HEC A 101 27.649 3.404 1.993 1.00 0.00 H new HETATM 0 HBC1 HEC A 101 28.547 3.913 0.543 1.00 0.00 H new HETATM 0 HBB3 HEC A 101 17.697 0.737 0.421 1.00 0.00 H new HETATM 0 HBB2 HEC A 101 18.738 1.895 1.281 1.00 0.00 H new HETATM 0 HBB1 HEC A 101 17.880 2.396 -0.195 1.00 0.00 H new HETATM 0 HBA2 HEC A 101 22.313 -8.143 2.214 1.00 0.00 H new HETATM 0 HBA1 HEC A 101 24.039 -7.863 2.327 1.00 0.00 H new HETATM 0 HAD2 HEC A 101 27.435 -5.894 3.610 1.00 0.00 H new HETATM 0 HAD1 HEC A 101 28.926 -4.974 3.548 1.00 0.00 H new HETATM 0 HAA2 HEC A 101 23.748 -6.828 4.560 1.00 0.00 H new HETATM 0 HAA1 HEC A 101 22.028 -7.157 4.507 1.00 0.00 H new HETATM 0 HHD HEC A 101 27.779 -0.186 1.298 1.00 0.00 H new HETATM 0 HHC HEC A 101 22.223 2.036 0.259 1.00 0.00 H new HETATM 0 HHB HEC A 101 19.800 -3.910 1.391 1.00 0.00 H new HETATM 0 HHA HEC A 101 25.066 -5.559 3.795 1.00 0.00 H new HETATM 0 H2A HEC A 101 22.714 -11.152 3.137 1.00 0.00 H new