USER MOD reduce.3.24.130724 H: found=0, std=0, add=759, rem=0, adj=15 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 50 MET CE :methyl -166:sc=-0.000315 (180deg=0) USER MOD Set 1.2: A 76 THR OG1 : rot 65:sc= 0.251! USER MOD Set 1.3: A 101 HEC O2D : rot -128:sc= 0.0448 USER MOD Set 2.1: A 45 ASN : amide:sc=-0.00723 X(o=-0.018,f=0) USER MOD Set 2.2: A 77 LYS NZ :NH3+ -153:sc= -0.0106 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -149:sc= 1.36 (180deg=-0.187) USER MOD Single : A 9 LYS NZ :NH3+ 153:sc= 0 (180deg=-0.688) 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= 0.717 K(o=0.72,f=0) USER MOD Single : A 29 HIS : no HE2:sc= 0.0718 K(o=0.072,f=-2!) USER MOD Single : A 31 ASN : amide:sc= -0.147 K(o=-0.15,f=-3.8!) USER MOD Single : A 37 THR OG1 : rot -20:sc= 1.26 USER MOD Single : A 46 TYR OH : rot -45:sc= 1.25 USER MOD Single : A 47 SER OG : rot 170:sc= 1.2 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 HIS : no HD1:sc= -0.0454 K(o=-0.045,f=-1.3) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 67 THR OG1 : rot 93:sc= 1.17 USER MOD Single : A 68 ASN : amide:sc= 0.414 K(o=0.41,f=-3.5!) 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 -161:sc= -0.691 (180deg=-1.52) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 ASN : amide:sc= 0.951 K(o=0.95,f=-4.6!) USER MOD Single : A 95 TYR OH : rot 165:sc= 0 USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 100 GLN : amide:sc= 0.344 X(o=0.34,f=-0.085) USER MOD Single : A 101 HEC O2A : rot -99:sc= 0.342 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.387 -0.388 1.730 1.00 0.00 N ATOM 2 CA MET A 1 1.540 0.745 0.773 1.00 0.00 C ATOM 3 C MET A 1 2.980 0.945 0.177 1.00 0.00 C ATOM 4 O MET A 1 3.421 2.079 -0.029 1.00 0.00 O ATOM 5 CB MET A 1 0.892 2.018 1.396 1.00 0.00 C ATOM 6 CG MET A 1 1.600 2.686 2.600 1.00 0.00 C ATOM 7 SD MET A 1 1.491 1.645 4.071 1.00 0.00 S ATOM 8 CE MET A 1 2.561 2.566 5.186 1.00 0.00 C ATOM 0 H1 MET A 1 0.422 -0.771 1.664 1.00 0.00 H new ATOM 0 H2 MET A 1 2.072 -1.135 1.497 1.00 0.00 H new ATOM 0 H3 MET A 1 1.559 -0.050 2.698 1.00 0.00 H new ATOM 0 HA MET A 1 0.994 0.492 -0.136 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.801 2.765 0.607 1.00 0.00 H new ATOM 0 HB3 MET A 1 -0.120 1.758 1.707 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.646 2.869 2.356 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.146 3.656 2.802 1.00 0.00 H new ATOM 0 HE1 MET A 1 2.606 2.058 6.149 1.00 0.00 H new ATOM 0 HE2 MET A 1 3.563 2.628 4.761 1.00 0.00 H new ATOM 0 HE3 MET A 1 2.163 3.571 5.325 1.00 0.00 H new ATOM 19 N ALA A 2 3.688 -0.153 -0.157 1.00 0.00 N ATOM 20 CA ALA A 2 5.062 -0.106 -0.730 1.00 0.00 C ATOM 21 C ALA A 2 5.119 -0.748 -2.153 1.00 0.00 C ATOM 22 O ALA A 2 5.570 -1.883 -2.338 1.00 0.00 O ATOM 23 CB ALA A 2 5.982 -0.782 0.309 1.00 0.00 C ATOM 0 H ALA A 2 3.329 -1.101 -0.040 1.00 0.00 H new ATOM 0 HA ALA A 2 5.399 0.917 -0.901 1.00 0.00 H new ATOM 0 HB1 ALA A 2 7.009 -0.778 -0.057 1.00 0.00 H new ATOM 0 HB2 ALA A 2 5.930 -0.236 1.251 1.00 0.00 H new ATOM 0 HB3 ALA A 2 5.658 -1.810 0.468 1.00 0.00 H new ATOM 29 N ASP A 3 4.649 -0.006 -3.171 1.00 0.00 N ATOM 30 CA ASP A 3 4.524 -0.509 -4.563 1.00 0.00 C ATOM 31 C ASP A 3 5.719 -0.011 -5.462 1.00 0.00 C ATOM 32 O ASP A 3 5.799 1.200 -5.713 1.00 0.00 O ATOM 33 CB ASP A 3 3.133 -0.057 -5.084 1.00 0.00 C ATOM 34 CG ASP A 3 2.746 -0.648 -6.439 1.00 0.00 C ATOM 35 OD1 ASP A 3 3.153 -0.215 -7.512 1.00 0.00 O ATOM 36 OD2 ASP A 3 1.915 -1.719 -6.321 1.00 0.00 O ATOM 0 H ASP A 3 4.343 0.961 -3.059 1.00 0.00 H new ATOM 0 HA ASP A 3 4.586 -1.597 -4.599 1.00 0.00 H new ATOM 0 HB2 ASP A 3 2.376 -0.334 -4.350 1.00 0.00 H new ATOM 0 HB3 ASP A 3 3.122 1.030 -5.159 1.00 0.00 H new ATOM 41 N PRO A 4 6.623 -0.876 -6.015 1.00 0.00 N ATOM 42 CA PRO A 4 7.725 -0.421 -6.913 1.00 0.00 C ATOM 43 C PRO A 4 7.331 0.138 -8.322 1.00 0.00 C ATOM 44 O PRO A 4 7.977 1.072 -8.803 1.00 0.00 O ATOM 45 CB PRO A 4 8.641 -1.660 -6.958 1.00 0.00 C ATOM 46 CG PRO A 4 7.746 -2.864 -6.660 1.00 0.00 C ATOM 47 CD PRO A 4 6.641 -2.329 -5.750 1.00 0.00 C ATOM 0 HA PRO A 4 8.199 0.479 -6.521 1.00 0.00 H new ATOM 0 HB2 PRO A 4 9.114 -1.759 -7.935 1.00 0.00 H new ATOM 0 HB3 PRO A 4 9.442 -1.579 -6.223 1.00 0.00 H new ATOM 0 HG2 PRO A 4 7.332 -3.283 -7.577 1.00 0.00 H new ATOM 0 HG3 PRO A 4 8.307 -3.660 -6.171 1.00 0.00 H new ATOM 0 HD2 PRO A 4 5.679 -2.787 -5.980 1.00 0.00 H new ATOM 0 HD3 PRO A 4 6.852 -2.540 -4.702 1.00 0.00 H new ATOM 55 N ALA A 5 6.269 -0.389 -8.961 1.00 0.00 N ATOM 56 CA ALA A 5 5.698 0.189 -10.209 1.00 0.00 C ATOM 57 C ALA A 5 5.143 1.650 -10.101 1.00 0.00 C ATOM 58 O ALA A 5 5.464 2.473 -10.964 1.00 0.00 O ATOM 59 CB ALA A 5 4.645 -0.805 -10.731 1.00 0.00 C ATOM 0 H ALA A 5 5.780 -1.223 -8.635 1.00 0.00 H new ATOM 0 HA ALA A 5 6.516 0.316 -10.918 1.00 0.00 H new ATOM 0 HB1 ALA A 5 4.201 -0.417 -11.648 1.00 0.00 H new ATOM 0 HB2 ALA A 5 5.120 -1.764 -10.936 1.00 0.00 H new ATOM 0 HB3 ALA A 5 3.867 -0.939 -9.980 1.00 0.00 H new ATOM 65 N ALA A 6 4.379 1.995 -9.046 1.00 0.00 N ATOM 66 CA ALA A 6 4.075 3.409 -8.690 1.00 0.00 C ATOM 67 C ALA A 6 5.285 4.318 -8.272 1.00 0.00 C ATOM 68 O ALA A 6 5.287 5.508 -8.602 1.00 0.00 O ATOM 69 CB ALA A 6 3.001 3.362 -7.589 1.00 0.00 C ATOM 0 H ALA A 6 3.955 1.313 -8.417 1.00 0.00 H new ATOM 0 HA ALA A 6 3.735 3.901 -9.601 1.00 0.00 H new ATOM 0 HB1 ALA A 6 2.741 4.378 -7.291 1.00 0.00 H new ATOM 0 HB2 ALA A 6 2.113 2.857 -7.968 1.00 0.00 H new ATOM 0 HB3 ALA A 6 3.387 2.818 -6.727 1.00 0.00 H new ATOM 75 N GLY A 7 6.314 3.772 -7.589 1.00 0.00 N ATOM 76 CA GLY A 7 7.568 4.514 -7.268 1.00 0.00 C ATOM 77 C GLY A 7 8.416 5.129 -8.412 1.00 0.00 C ATOM 78 O GLY A 7 9.074 6.143 -8.178 1.00 0.00 O ATOM 0 H GLY A 7 6.307 2.812 -7.244 1.00 0.00 H new ATOM 0 HA2 GLY A 7 7.301 5.324 -6.590 1.00 0.00 H new ATOM 0 HA3 GLY A 7 8.215 3.834 -6.714 1.00 0.00 H new ATOM 82 N GLU A 8 8.375 4.575 -9.639 1.00 0.00 N ATOM 83 CA GLU A 8 8.918 5.255 -10.859 1.00 0.00 C ATOM 84 C GLU A 8 8.279 6.646 -11.227 1.00 0.00 C ATOM 85 O GLU A 8 8.997 7.573 -11.610 1.00 0.00 O ATOM 86 CB GLU A 8 8.934 4.235 -12.035 1.00 0.00 C ATOM 87 CG GLU A 8 7.621 4.043 -12.839 1.00 0.00 C ATOM 88 CD GLU A 8 7.562 2.748 -13.645 1.00 0.00 C ATOM 89 OE1 GLU A 8 8.247 2.544 -14.643 1.00 0.00 O ATOM 90 OE2 GLU A 8 6.666 1.855 -13.127 1.00 0.00 O ATOM 0 H GLU A 8 7.973 3.656 -9.825 1.00 0.00 H new ATOM 0 HA GLU A 8 9.938 5.558 -10.623 1.00 0.00 H new ATOM 0 HB2 GLU A 8 9.714 4.540 -12.733 1.00 0.00 H new ATOM 0 HB3 GLU A 8 9.227 3.265 -11.634 1.00 0.00 H new ATOM 0 HG2 GLU A 8 6.779 4.066 -12.148 1.00 0.00 H new ATOM 0 HG3 GLU A 8 7.498 4.886 -13.519 1.00 0.00 H new ATOM 97 N LYS A 9 6.947 6.794 -11.075 1.00 0.00 N ATOM 98 CA LYS A 9 6.246 8.112 -11.148 1.00 0.00 C ATOM 99 C LYS A 9 6.632 9.108 -10.001 1.00 0.00 C ATOM 100 O LYS A 9 6.909 10.276 -10.283 1.00 0.00 O ATOM 101 CB LYS A 9 4.710 7.873 -11.187 1.00 0.00 C ATOM 102 CG LYS A 9 4.167 7.126 -12.430 1.00 0.00 C ATOM 103 CD LYS A 9 2.636 6.913 -12.448 1.00 0.00 C ATOM 104 CE LYS A 9 2.090 5.763 -11.576 1.00 0.00 C ATOM 105 NZ LYS A 9 1.942 6.145 -10.157 1.00 0.00 N ATOM 0 H LYS A 9 6.319 6.010 -10.898 1.00 0.00 H new ATOM 0 HA LYS A 9 6.577 8.598 -12.066 1.00 0.00 H new ATOM 0 HB2 LYS A 9 4.428 7.309 -10.298 1.00 0.00 H new ATOM 0 HB3 LYS A 9 4.211 8.840 -11.123 1.00 0.00 H new ATOM 0 HG2 LYS A 9 4.452 7.683 -13.323 1.00 0.00 H new ATOM 0 HG3 LYS A 9 4.655 6.153 -12.492 1.00 0.00 H new ATOM 0 HD2 LYS A 9 2.159 7.839 -12.128 1.00 0.00 H new ATOM 0 HD3 LYS A 9 2.328 6.735 -13.479 1.00 0.00 H new ATOM 0 HE2 LYS A 9 1.123 5.445 -11.965 1.00 0.00 H new ATOM 0 HE3 LYS A 9 2.760 4.907 -11.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 1.193 5.571 -9.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 2.840 5.981 -9.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 1.689 7.152 -10.093 1.00 0.00 H new ATOM 118 N VAL A 10 6.714 8.645 -8.733 1.00 0.00 N ATOM 119 CA VAL A 10 7.342 9.419 -7.611 1.00 0.00 C ATOM 120 C VAL A 10 8.831 9.851 -7.893 1.00 0.00 C ATOM 121 O VAL A 10 9.176 11.014 -7.662 1.00 0.00 O ATOM 122 CB VAL A 10 7.217 8.668 -6.236 1.00 0.00 C ATOM 123 CG1 VAL A 10 7.606 9.581 -5.048 1.00 0.00 C ATOM 124 CG2 VAL A 10 5.826 8.075 -5.900 1.00 0.00 C ATOM 0 H VAL A 10 6.354 7.734 -8.449 1.00 0.00 H new ATOM 0 HA VAL A 10 6.768 10.343 -7.545 1.00 0.00 H new ATOM 0 HB VAL A 10 7.907 7.835 -6.369 1.00 0.00 H new ATOM 0 HG11 VAL A 10 7.507 9.026 -4.115 1.00 0.00 H new ATOM 0 HG12 VAL A 10 8.638 9.911 -5.166 1.00 0.00 H new ATOM 0 HG13 VAL A 10 6.947 10.449 -5.026 1.00 0.00 H new ATOM 0 HG21 VAL A 10 5.865 7.583 -4.928 1.00 0.00 H new ATOM 0 HG22 VAL A 10 5.087 8.875 -5.872 1.00 0.00 H new ATOM 0 HG23 VAL A 10 5.546 7.349 -6.663 1.00 0.00 H new ATOM 134 N PHE A 11 9.689 8.952 -8.424 1.00 0.00 N ATOM 135 CA PHE A 11 11.046 9.312 -8.926 1.00 0.00 C ATOM 136 C PHE A 11 11.140 10.455 -10.007 1.00 0.00 C ATOM 137 O PHE A 11 12.177 11.118 -10.057 1.00 0.00 O ATOM 138 CB PHE A 11 11.750 7.991 -9.369 1.00 0.00 C ATOM 139 CG PHE A 11 13.246 8.112 -9.723 1.00 0.00 C ATOM 140 CD1 PHE A 11 14.183 8.511 -8.762 1.00 0.00 C ATOM 141 CD2 PHE A 11 13.660 7.932 -11.046 1.00 0.00 C ATOM 142 CE1 PHE A 11 15.494 8.799 -9.138 1.00 0.00 C ATOM 143 CE2 PHE A 11 14.975 8.204 -11.413 1.00 0.00 C ATOM 144 CZ PHE A 11 15.885 8.660 -10.464 1.00 0.00 C ATOM 0 H PHE A 11 9.468 7.961 -8.519 1.00 0.00 H new ATOM 0 HA PHE A 11 11.570 9.787 -8.096 1.00 0.00 H new ATOM 0 HB2 PHE A 11 11.644 7.259 -8.568 1.00 0.00 H new ATOM 0 HB3 PHE A 11 11.222 7.594 -10.236 1.00 0.00 H new ATOM 0 HD1 PHE A 11 13.889 8.596 -7.726 1.00 0.00 H new ATOM 0 HD2 PHE A 11 12.957 7.580 -11.786 1.00 0.00 H new ATOM 0 HE1 PHE A 11 16.207 9.131 -8.398 1.00 0.00 H new ATOM 0 HE2 PHE A 11 15.290 8.061 -12.436 1.00 0.00 H new ATOM 0 HZ PHE A 11 16.895 8.906 -10.758 1.00 0.00 H new ATOM 154 N GLY A 12 10.089 10.760 -10.798 1.00 0.00 N ATOM 155 CA GLY A 12 9.986 12.045 -11.560 1.00 0.00 C ATOM 156 C GLY A 12 10.267 13.391 -10.835 1.00 0.00 C ATOM 157 O GLY A 12 10.906 14.272 -11.411 1.00 0.00 O ATOM 0 H GLY A 12 9.292 10.138 -10.933 1.00 0.00 H new ATOM 0 HA2 GLY A 12 10.672 11.980 -12.404 1.00 0.00 H new ATOM 0 HA3 GLY A 12 8.978 12.100 -11.972 1.00 0.00 H new ATOM 161 N LYS A 13 9.849 13.523 -9.566 1.00 0.00 N ATOM 162 CA LYS A 13 10.328 14.608 -8.650 1.00 0.00 C ATOM 163 C LYS A 13 11.875 14.638 -8.346 1.00 0.00 C ATOM 164 O LYS A 13 12.445 15.718 -8.170 1.00 0.00 O ATOM 165 CB LYS A 13 9.509 14.505 -7.332 1.00 0.00 C ATOM 166 CG LYS A 13 8.000 14.830 -7.445 1.00 0.00 C ATOM 167 CD LYS A 13 7.244 14.602 -6.120 1.00 0.00 C ATOM 168 CE LYS A 13 5.742 14.935 -6.171 1.00 0.00 C ATOM 169 NZ LYS A 13 4.980 13.947 -6.965 1.00 0.00 N ATOM 0 H LYS A 13 9.174 12.892 -9.134 1.00 0.00 H new ATOM 0 HA LYS A 13 10.163 15.550 -9.174 1.00 0.00 H new ATOM 0 HB2 LYS A 13 9.614 13.493 -6.940 1.00 0.00 H new ATOM 0 HB3 LYS A 13 9.952 15.179 -6.599 1.00 0.00 H new ATOM 0 HG2 LYS A 13 7.878 15.868 -7.755 1.00 0.00 H new ATOM 0 HG3 LYS A 13 7.556 14.210 -8.224 1.00 0.00 H new ATOM 0 HD2 LYS A 13 7.361 13.559 -5.825 1.00 0.00 H new ATOM 0 HD3 LYS A 13 7.710 15.207 -5.343 1.00 0.00 H new ATOM 0 HE2 LYS A 13 5.344 14.969 -5.157 1.00 0.00 H new ATOM 0 HE3 LYS A 13 5.605 15.927 -6.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 3.974 14.210 -6.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 5.342 13.932 -7.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 5.088 13.003 -6.541 1.00 0.00 H new ATOM 182 N CYS A 14 12.543 13.473 -8.284 1.00 0.00 N ATOM 183 CA CYS A 14 14.025 13.366 -8.195 1.00 0.00 C ATOM 184 C CYS A 14 14.813 13.462 -9.558 1.00 0.00 C ATOM 185 O CYS A 14 15.950 13.944 -9.555 1.00 0.00 O ATOM 186 CB CYS A 14 14.320 12.035 -7.463 1.00 0.00 C ATOM 187 SG CYS A 14 13.163 11.635 -6.113 1.00 0.00 S ATOM 0 H CYS A 14 12.074 12.567 -8.294 1.00 0.00 H new ATOM 0 HA CYS A 14 14.391 14.239 -7.654 1.00 0.00 H new ATOM 0 HB2 CYS A 14 14.302 11.224 -8.191 1.00 0.00 H new ATOM 0 HB3 CYS A 14 15.331 12.076 -7.057 1.00 0.00 H new ATOM 192 N LYS A 15 14.233 13.032 -10.706 1.00 0.00 N ATOM 193 CA LYS A 15 14.868 13.104 -12.065 1.00 0.00 C ATOM 194 C LYS A 15 15.356 14.488 -12.609 1.00 0.00 C ATOM 195 O LYS A 15 16.228 14.502 -13.483 1.00 0.00 O ATOM 196 CB LYS A 15 13.928 12.441 -13.118 1.00 0.00 C ATOM 197 CG LYS A 15 13.940 10.898 -13.104 1.00 0.00 C ATOM 198 CD LYS A 15 13.307 10.200 -14.326 1.00 0.00 C ATOM 199 CE LYS A 15 11.774 10.280 -14.385 1.00 0.00 C ATOM 200 NZ LYS A 15 11.268 9.508 -15.536 1.00 0.00 N ATOM 0 H LYS A 15 13.300 12.619 -10.725 1.00 0.00 H new ATOM 0 HA LYS A 15 15.803 12.565 -11.911 1.00 0.00 H new ATOM 0 HB2 LYS A 15 12.909 12.786 -12.944 1.00 0.00 H new ATOM 0 HB3 LYS A 15 14.216 12.785 -14.111 1.00 0.00 H new ATOM 0 HG2 LYS A 15 14.974 10.564 -13.017 1.00 0.00 H new ATOM 0 HG3 LYS A 15 13.419 10.560 -12.208 1.00 0.00 H new ATOM 0 HD2 LYS A 15 13.716 10.644 -15.234 1.00 0.00 H new ATOM 0 HD3 LYS A 15 13.603 9.151 -14.323 1.00 0.00 H new ATOM 0 HE2 LYS A 15 11.346 9.891 -13.461 1.00 0.00 H new ATOM 0 HE3 LYS A 15 11.460 11.320 -14.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 10.230 9.569 -15.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 11.663 9.897 -16.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 11.553 8.513 -15.439 1.00 0.00 H new ATOM 213 N ALA A 16 14.881 15.633 -12.087 1.00 0.00 N ATOM 214 CA ALA A 16 15.596 16.935 -12.235 1.00 0.00 C ATOM 215 C ALA A 16 17.107 16.998 -11.795 1.00 0.00 C ATOM 216 O ALA A 16 17.856 17.824 -12.323 1.00 0.00 O ATOM 217 CB ALA A 16 14.745 17.970 -11.474 1.00 0.00 C ATOM 0 H ALA A 16 14.010 15.694 -11.560 1.00 0.00 H new ATOM 0 HA ALA A 16 15.684 17.132 -13.303 1.00 0.00 H new ATOM 0 HB1 ALA A 16 15.216 18.950 -11.544 1.00 0.00 H new ATOM 0 HB2 ALA A 16 13.748 18.014 -11.913 1.00 0.00 H new ATOM 0 HB3 ALA A 16 14.668 17.678 -10.427 1.00 0.00 H new ATOM 223 N CYS A 17 17.543 16.140 -10.852 1.00 0.00 N ATOM 224 CA CYS A 17 18.959 16.035 -10.411 1.00 0.00 C ATOM 225 C CYS A 17 19.587 14.597 -10.504 1.00 0.00 C ATOM 226 O CYS A 17 20.748 14.472 -10.905 1.00 0.00 O ATOM 227 CB CYS A 17 19.008 16.583 -8.970 1.00 0.00 C ATOM 228 SG CYS A 17 18.172 18.192 -8.820 1.00 0.00 S ATOM 0 H CYS A 17 16.922 15.492 -10.367 1.00 0.00 H new ATOM 0 HA CYS A 17 19.577 16.615 -11.097 1.00 0.00 H new ATOM 0 HB2 CYS A 17 18.539 15.867 -8.294 1.00 0.00 H new ATOM 0 HB3 CYS A 17 20.047 16.684 -8.656 1.00 0.00 H new ATOM 233 N HIS A 18 18.865 13.535 -10.089 1.00 0.00 N ATOM 234 CA HIS A 18 19.427 12.166 -9.899 1.00 0.00 C ATOM 235 C HIS A 18 19.206 11.220 -11.125 1.00 0.00 C ATOM 236 O HIS A 18 18.125 11.195 -11.723 1.00 0.00 O ATOM 237 CB HIS A 18 18.751 11.559 -8.639 1.00 0.00 C ATOM 238 CG HIS A 18 19.238 12.108 -7.299 1.00 0.00 C ATOM 239 ND1 HIS A 18 20.378 11.665 -6.686 1.00 0.00 N ATOM 240 CD2 HIS A 18 18.515 12.913 -6.417 1.00 0.00 C ATOM 241 CE1 HIS A 18 20.205 12.162 -5.432 1.00 0.00 C ATOM 242 NE2 HIS A 18 19.074 12.898 -5.116 1.00 0.00 N ATOM 0 H HIS A 18 17.870 13.595 -9.873 1.00 0.00 H new ATOM 0 HA HIS A 18 20.507 12.254 -9.786 1.00 0.00 H new ATOM 0 HB2 HIS A 18 17.676 11.725 -8.710 1.00 0.00 H new ATOM 0 HB3 HIS A 18 18.909 10.480 -8.648 1.00 0.00 H new ATOM 0 HD1 HIS A 18 21.147 11.113 -7.066 1.00 0.00 H new ATOM 0 HD2 HIS A 18 17.637 13.478 -6.693 1.00 0.00 H new ATOM 0 HE1 HIS A 18 20.955 11.982 -4.676 1.00 0.00 H new ATOM 250 N LYS A 19 20.222 10.398 -11.460 1.00 0.00 N ATOM 251 CA LYS A 19 20.183 9.501 -12.655 1.00 0.00 C ATOM 252 C LYS A 19 20.480 8.028 -12.236 1.00 0.00 C ATOM 253 O LYS A 19 21.544 7.721 -11.690 1.00 0.00 O ATOM 254 CB LYS A 19 21.211 9.974 -13.720 1.00 0.00 C ATOM 255 CG LYS A 19 20.947 11.371 -14.341 1.00 0.00 C ATOM 256 CD LYS A 19 22.120 11.930 -15.174 1.00 0.00 C ATOM 257 CE LYS A 19 23.238 12.544 -14.311 1.00 0.00 C ATOM 258 NZ LYS A 19 24.327 13.051 -15.167 1.00 0.00 N ATOM 0 H LYS A 19 21.087 10.330 -10.923 1.00 0.00 H new ATOM 0 HA LYS A 19 19.185 9.546 -13.090 1.00 0.00 H new ATOM 0 HB2 LYS A 19 22.201 9.982 -13.264 1.00 0.00 H new ATOM 0 HB3 LYS A 19 21.236 9.239 -14.524 1.00 0.00 H new ATOM 0 HG2 LYS A 19 20.062 11.312 -14.975 1.00 0.00 H new ATOM 0 HG3 LYS A 19 20.719 12.074 -13.540 1.00 0.00 H new ATOM 0 HD2 LYS A 19 22.539 11.129 -15.783 1.00 0.00 H new ATOM 0 HD3 LYS A 19 21.741 12.688 -15.860 1.00 0.00 H new ATOM 0 HE2 LYS A 19 22.835 13.356 -13.705 1.00 0.00 H new ATOM 0 HE3 LYS A 19 23.627 11.795 -13.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 25.074 13.462 -14.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 24.722 12.268 -15.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 23.954 13.781 -15.808 1.00 0.00 H new ATOM 271 N LEU A 20 19.565 7.092 -12.537 1.00 0.00 N ATOM 272 CA LEU A 20 19.734 5.649 -12.170 1.00 0.00 C ATOM 273 C LEU A 20 20.840 4.846 -12.930 1.00 0.00 C ATOM 274 O LEU A 20 21.334 3.863 -12.375 1.00 0.00 O ATOM 275 CB LEU A 20 18.376 4.901 -12.300 1.00 0.00 C ATOM 276 CG LEU A 20 17.193 5.422 -11.448 1.00 0.00 C ATOM 277 CD1 LEU A 20 15.885 4.737 -11.867 1.00 0.00 C ATOM 278 CD2 LEU A 20 17.408 5.295 -9.930 1.00 0.00 C ATOM 0 H LEU A 20 18.697 7.294 -13.033 1.00 0.00 H new ATOM 0 HA LEU A 20 20.086 5.689 -11.139 1.00 0.00 H new ATOM 0 HB2 LEU A 20 18.075 4.928 -13.347 1.00 0.00 H new ATOM 0 HB3 LEU A 20 18.541 3.855 -12.043 1.00 0.00 H new ATOM 0 HG LEU A 20 17.129 6.491 -11.650 1.00 0.00 H new ATOM 0 HD11 LEU A 20 15.065 5.116 -11.257 1.00 0.00 H new ATOM 0 HD12 LEU A 20 15.684 4.948 -12.917 1.00 0.00 H new ATOM 0 HD13 LEU A 20 15.976 3.660 -11.724 1.00 0.00 H new ATOM 0 HD21 LEU A 20 16.534 5.682 -9.405 1.00 0.00 H new ATOM 0 HD22 LEU A 20 17.553 4.247 -9.670 1.00 0.00 H new ATOM 0 HD23 LEU A 20 18.289 5.867 -9.638 1.00 0.00 H new ATOM 290 N ASP A 21 21.249 5.209 -14.162 1.00 0.00 N ATOM 291 CA ASP A 21 22.186 4.367 -14.973 1.00 0.00 C ATOM 292 C ASP A 21 23.700 4.560 -14.593 1.00 0.00 C ATOM 293 O ASP A 21 24.527 4.916 -15.436 1.00 0.00 O ATOM 294 CB ASP A 21 21.822 4.657 -16.457 1.00 0.00 C ATOM 295 CG ASP A 21 22.452 3.700 -17.469 1.00 0.00 C ATOM 296 OD1 ASP A 21 22.227 2.496 -17.500 1.00 0.00 O ATOM 297 OD2 ASP A 21 23.290 4.335 -18.335 1.00 0.00 O ATOM 0 H ASP A 21 20.955 6.069 -14.624 1.00 0.00 H new ATOM 0 HA ASP A 21 22.060 3.305 -14.764 1.00 0.00 H new ATOM 0 HB2 ASP A 21 20.738 4.617 -16.565 1.00 0.00 H new ATOM 0 HB3 ASP A 21 22.129 5.674 -16.700 1.00 0.00 H new ATOM 302 N GLY A 22 24.060 4.366 -13.307 1.00 0.00 N ATOM 303 CA GLY A 22 25.413 4.710 -12.773 1.00 0.00 C ATOM 304 C GLY A 22 25.961 6.166 -12.902 1.00 0.00 C ATOM 305 O GLY A 22 27.155 6.376 -12.691 1.00 0.00 O ATOM 0 H GLY A 22 23.433 3.970 -12.607 1.00 0.00 H new ATOM 0 HA2 GLY A 22 25.416 4.456 -11.713 1.00 0.00 H new ATOM 0 HA3 GLY A 22 26.130 4.050 -13.261 1.00 0.00 H new ATOM 309 N ASN A 23 25.115 7.151 -13.252 1.00 0.00 N ATOM 310 CA ASN A 23 25.544 8.522 -13.638 1.00 0.00 C ATOM 311 C ASN A 23 25.369 9.548 -12.472 1.00 0.00 C ATOM 312 O ASN A 23 24.357 9.573 -11.765 1.00 0.00 O ATOM 313 CB ASN A 23 24.730 8.941 -14.898 1.00 0.00 C ATOM 314 CG ASN A 23 25.364 8.600 -16.248 1.00 0.00 C ATOM 315 OD1 ASN A 23 25.971 9.444 -16.895 1.00 0.00 O ATOM 316 ND2 ASN A 23 25.248 7.390 -16.737 1.00 0.00 N ATOM 0 H ASN A 23 24.103 7.024 -13.278 1.00 0.00 H new ATOM 0 HA ASN A 23 26.610 8.518 -13.865 1.00 0.00 H new ATOM 0 HB2 ASN A 23 23.750 8.466 -14.848 1.00 0.00 H new ATOM 0 HB3 ASN A 23 24.564 10.018 -14.858 1.00 0.00 H new ATOM 0 HD21 ASN A 23 25.660 7.164 -17.642 1.00 0.00 H new ATOM 0 HD22 ASN A 23 24.746 6.674 -16.212 1.00 0.00 H new ATOM 323 N ASP A 24 26.379 10.414 -12.307 1.00 0.00 N ATOM 324 CA ASP A 24 26.492 11.336 -11.144 1.00 0.00 C ATOM 325 C ASP A 24 26.697 12.787 -11.680 1.00 0.00 C ATOM 326 O ASP A 24 27.750 13.088 -12.254 1.00 0.00 O ATOM 327 CB ASP A 24 27.685 10.850 -10.269 1.00 0.00 C ATOM 328 CG ASP A 24 27.437 9.554 -9.497 1.00 0.00 C ATOM 329 OD1 ASP A 24 27.681 8.442 -10.243 1.00 0.00 O ATOM 330 OD2 ASP A 24 27.034 9.521 -8.340 1.00 0.00 O ATOM 0 H ASP A 24 27.147 10.503 -12.972 1.00 0.00 H new ATOM 0 HA ASP A 24 25.593 11.338 -10.528 1.00 0.00 H new ATOM 0 HB2 ASP A 24 28.554 10.711 -10.912 1.00 0.00 H new ATOM 0 HB3 ASP A 24 27.937 11.636 -9.557 1.00 0.00 H new ATOM 335 N GLY A 25 25.694 13.672 -11.524 1.00 0.00 N ATOM 336 CA GLY A 25 25.714 15.020 -12.165 1.00 0.00 C ATOM 337 C GLY A 25 25.385 16.171 -11.205 1.00 0.00 C ATOM 338 O GLY A 25 26.257 16.625 -10.462 1.00 0.00 O ATOM 0 H GLY A 25 24.861 13.489 -10.965 1.00 0.00 H new ATOM 0 HA2 GLY A 25 26.700 15.191 -12.597 1.00 0.00 H new ATOM 0 HA3 GLY A 25 24.999 15.031 -12.988 1.00 0.00 H new ATOM 342 N VAL A 26 24.125 16.631 -11.203 1.00 0.00 N ATOM 343 CA VAL A 26 23.601 17.530 -10.119 1.00 0.00 C ATOM 344 C VAL A 26 23.362 16.728 -8.794 1.00 0.00 C ATOM 345 O VAL A 26 23.843 17.158 -7.746 1.00 0.00 O ATOM 346 CB VAL A 26 22.364 18.360 -10.616 1.00 0.00 C ATOM 347 CG1 VAL A 26 21.757 19.287 -9.534 1.00 0.00 C ATOM 348 CG2 VAL A 26 22.662 19.257 -11.842 1.00 0.00 C ATOM 0 H VAL A 26 23.441 16.408 -11.926 1.00 0.00 H new ATOM 0 HA VAL A 26 24.358 18.274 -9.873 1.00 0.00 H new ATOM 0 HB VAL A 26 21.655 17.577 -10.885 1.00 0.00 H new ATOM 0 HG11 VAL A 26 20.907 19.827 -9.952 1.00 0.00 H new ATOM 0 HG12 VAL A 26 21.424 18.688 -8.686 1.00 0.00 H new ATOM 0 HG13 VAL A 26 22.511 20.000 -9.201 1.00 0.00 H new ATOM 0 HG21 VAL A 26 21.759 19.798 -12.125 1.00 0.00 H new ATOM 0 HG22 VAL A 26 23.447 19.969 -11.589 1.00 0.00 H new ATOM 0 HG23 VAL A 26 22.990 18.636 -12.676 1.00 0.00 H new ATOM 358 N GLY A 27 22.668 15.577 -8.840 1.00 0.00 N ATOM 359 CA GLY A 27 22.687 14.581 -7.741 1.00 0.00 C ATOM 360 C GLY A 27 23.447 13.264 -8.091 1.00 0.00 C ATOM 361 O GLY A 27 23.612 12.952 -9.279 1.00 0.00 O ATOM 0 H GLY A 27 22.082 15.308 -9.630 1.00 0.00 H new ATOM 0 HA2 GLY A 27 23.149 15.033 -6.863 1.00 0.00 H new ATOM 0 HA3 GLY A 27 21.660 14.335 -7.470 1.00 0.00 H new ATOM 365 N PRO A 28 23.894 12.429 -7.107 1.00 0.00 N ATOM 366 CA PRO A 28 24.514 11.106 -7.394 1.00 0.00 C ATOM 367 C PRO A 28 23.537 10.012 -7.942 1.00 0.00 C ATOM 368 O PRO A 28 22.318 10.202 -8.009 1.00 0.00 O ATOM 369 CB PRO A 28 25.134 10.760 -6.021 1.00 0.00 C ATOM 370 CG PRO A 28 24.230 11.442 -4.996 1.00 0.00 C ATOM 371 CD PRO A 28 23.865 12.759 -5.671 1.00 0.00 C ATOM 0 HA PRO A 28 25.231 11.144 -8.214 1.00 0.00 H new ATOM 0 HB2 PRO A 28 25.167 9.682 -5.863 1.00 0.00 H new ATOM 0 HB3 PRO A 28 26.159 11.124 -5.948 1.00 0.00 H new ATOM 0 HG2 PRO A 28 23.346 10.843 -4.778 1.00 0.00 H new ATOM 0 HG3 PRO A 28 24.746 11.605 -4.050 1.00 0.00 H new ATOM 0 HD2 PRO A 28 22.881 13.110 -5.360 1.00 0.00 H new ATOM 0 HD3 PRO A 28 24.577 13.547 -5.426 1.00 0.00 H new ATOM 379 N HIS A 29 24.064 8.837 -8.321 1.00 0.00 N ATOM 380 CA HIS A 29 23.220 7.721 -8.832 1.00 0.00 C ATOM 381 C HIS A 29 22.417 7.004 -7.695 1.00 0.00 C ATOM 382 O HIS A 29 23.006 6.430 -6.771 1.00 0.00 O ATOM 383 CB HIS A 29 24.049 6.757 -9.726 1.00 0.00 C ATOM 384 CG HIS A 29 25.126 5.886 -9.070 1.00 0.00 C ATOM 385 ND1 HIS A 29 26.403 6.325 -8.745 1.00 0.00 N ATOM 386 CD2 HIS A 29 24.979 4.522 -8.777 1.00 0.00 C ATOM 387 CE1 HIS A 29 26.916 5.151 -8.251 1.00 0.00 C ATOM 388 NE2 HIS A 29 26.142 4.023 -8.223 1.00 0.00 N ATOM 0 H HIS A 29 25.061 8.626 -8.288 1.00 0.00 H new ATOM 0 HA HIS A 29 22.453 8.150 -9.477 1.00 0.00 H new ATOM 0 HB2 HIS A 29 23.349 6.092 -10.232 1.00 0.00 H new ATOM 0 HB3 HIS A 29 24.533 7.356 -10.497 1.00 0.00 H new ATOM 0 HD1 HIS A 29 26.832 7.245 -8.844 1.00 0.00 H new ATOM 0 HD2 HIS A 29 24.085 3.945 -8.959 1.00 0.00 H new ATOM 0 HE1 HIS A 29 27.931 5.118 -7.884 1.00 0.00 H new ATOM 396 N LEU A 30 21.073 7.033 -7.757 1.00 0.00 N ATOM 397 CA LEU A 30 20.209 6.310 -6.765 1.00 0.00 C ATOM 398 C LEU A 30 19.944 4.788 -7.027 1.00 0.00 C ATOM 399 O LEU A 30 19.418 4.114 -6.136 1.00 0.00 O ATOM 400 CB LEU A 30 18.897 7.098 -6.494 1.00 0.00 C ATOM 401 CG LEU A 30 19.023 8.511 -5.871 1.00 0.00 C ATOM 402 CD1 LEU A 30 17.629 9.078 -5.569 1.00 0.00 C ATOM 403 CD2 LEU A 30 19.863 8.581 -4.581 1.00 0.00 C ATOM 0 H LEU A 30 20.551 7.541 -8.472 1.00 0.00 H new ATOM 0 HA LEU A 30 20.815 6.286 -5.859 1.00 0.00 H new ATOM 0 HB2 LEU A 30 18.362 7.194 -7.439 1.00 0.00 H new ATOM 0 HB3 LEU A 30 18.273 6.495 -5.834 1.00 0.00 H new ATOM 0 HG LEU A 30 19.550 9.101 -6.621 1.00 0.00 H new ATOM 0 HD11 LEU A 30 17.727 10.071 -5.131 1.00 0.00 H new ATOM 0 HD12 LEU A 30 17.055 9.144 -6.493 1.00 0.00 H new ATOM 0 HD13 LEU A 30 17.113 8.422 -4.868 1.00 0.00 H new ATOM 0 HD21 LEU A 30 19.893 9.610 -4.221 1.00 0.00 H new ATOM 0 HD22 LEU A 30 19.414 7.943 -3.820 1.00 0.00 H new ATOM 0 HD23 LEU A 30 20.877 8.240 -4.788 1.00 0.00 H new ATOM 415 N ASN A 31 20.400 4.208 -8.156 1.00 0.00 N ATOM 416 CA ASN A 31 20.671 2.748 -8.255 1.00 0.00 C ATOM 417 C ASN A 31 21.743 2.301 -7.201 1.00 0.00 C ATOM 418 O ASN A 31 22.872 2.804 -7.184 1.00 0.00 O ATOM 419 CB ASN A 31 21.084 2.458 -9.720 1.00 0.00 C ATOM 420 CG ASN A 31 21.420 0.997 -10.029 1.00 0.00 C ATOM 421 OD1 ASN A 31 20.543 0.158 -10.185 1.00 0.00 O ATOM 422 ND2 ASN A 31 22.683 0.640 -10.069 1.00 0.00 N ATOM 0 H ASN A 31 20.590 4.723 -9.015 1.00 0.00 H new ATOM 0 HA ASN A 31 19.784 2.161 -8.016 1.00 0.00 H new ATOM 0 HB2 ASN A 31 20.274 2.774 -10.378 1.00 0.00 H new ATOM 0 HB3 ASN A 31 21.951 3.072 -9.964 1.00 0.00 H new ATOM 0 HD21 ASN A 31 22.932 -0.336 -10.230 1.00 0.00 H new ATOM 0 HD22 ASN A 31 23.415 1.339 -9.939 1.00 0.00 H new ATOM 429 N GLY A 32 21.348 1.415 -6.283 1.00 0.00 N ATOM 430 CA GLY A 32 22.218 1.016 -5.144 1.00 0.00 C ATOM 431 C GLY A 32 22.353 2.024 -3.981 1.00 0.00 C ATOM 432 O GLY A 32 23.457 2.172 -3.457 1.00 0.00 O ATOM 0 H GLY A 32 20.438 0.955 -6.295 1.00 0.00 H new ATOM 0 HA2 GLY A 32 21.837 0.079 -4.738 1.00 0.00 H new ATOM 0 HA3 GLY A 32 23.215 0.812 -5.534 1.00 0.00 H new ATOM 436 N VAL A 33 21.266 2.705 -3.573 1.00 0.00 N ATOM 437 CA VAL A 33 21.254 3.596 -2.367 1.00 0.00 C ATOM 438 C VAL A 33 20.720 2.915 -1.061 1.00 0.00 C ATOM 439 O VAL A 33 21.238 3.211 0.016 1.00 0.00 O ATOM 440 CB VAL A 33 20.584 4.975 -2.687 1.00 0.00 C ATOM 441 CG1 VAL A 33 19.046 4.933 -2.823 1.00 0.00 C ATOM 442 CG2 VAL A 33 20.961 6.067 -1.658 1.00 0.00 C ATOM 0 H VAL A 33 20.369 2.663 -4.058 1.00 0.00 H new ATOM 0 HA VAL A 33 22.298 3.800 -2.127 1.00 0.00 H new ATOM 0 HB VAL A 33 20.990 5.228 -3.666 1.00 0.00 H new ATOM 0 HG11 VAL A 33 18.673 5.933 -3.044 1.00 0.00 H new ATOM 0 HG12 VAL A 33 18.771 4.256 -3.631 1.00 0.00 H new ATOM 0 HG13 VAL A 33 18.608 4.581 -1.889 1.00 0.00 H new ATOM 0 HG21 VAL A 33 20.471 7.003 -1.925 1.00 0.00 H new ATOM 0 HG22 VAL A 33 20.637 5.758 -0.664 1.00 0.00 H new ATOM 0 HG23 VAL A 33 22.042 6.210 -1.659 1.00 0.00 H new ATOM 452 N VAL A 34 19.701 2.033 -1.129 1.00 0.00 N ATOM 453 CA VAL A 34 19.102 1.363 0.067 1.00 0.00 C ATOM 454 C VAL A 34 20.134 0.364 0.695 1.00 0.00 C ATOM 455 O VAL A 34 20.467 -0.659 0.090 1.00 0.00 O ATOM 456 CB VAL A 34 17.726 0.682 -0.272 1.00 0.00 C ATOM 457 CG1 VAL A 34 17.015 0.198 1.017 1.00 0.00 C ATOM 458 CG2 VAL A 34 16.722 1.598 -1.014 1.00 0.00 C ATOM 0 H VAL A 34 19.264 1.759 -2.009 1.00 0.00 H new ATOM 0 HA VAL A 34 18.878 2.122 0.816 1.00 0.00 H new ATOM 0 HB VAL A 34 17.995 -0.144 -0.931 1.00 0.00 H new ATOM 0 HG11 VAL A 34 16.066 -0.269 0.755 1.00 0.00 H new ATOM 0 HG12 VAL A 34 17.647 -0.527 1.531 1.00 0.00 H new ATOM 0 HG13 VAL A 34 16.832 1.049 1.673 1.00 0.00 H new ATOM 0 HG21 VAL A 34 15.801 1.047 -1.208 1.00 0.00 H new ATOM 0 HG22 VAL A 34 16.501 2.470 -0.398 1.00 0.00 H new ATOM 0 HG23 VAL A 34 17.156 1.923 -1.960 1.00 0.00 H new ATOM 468 N GLY A 35 20.680 0.712 1.873 1.00 0.00 N ATOM 469 CA GLY A 35 21.920 0.070 2.397 1.00 0.00 C ATOM 470 C GLY A 35 23.276 0.801 2.196 1.00 0.00 C ATOM 471 O GLY A 35 24.222 0.469 2.911 1.00 0.00 O ATOM 0 H GLY A 35 20.292 1.430 2.485 1.00 0.00 H new ATOM 0 HA2 GLY A 35 21.784 -0.088 3.467 1.00 0.00 H new ATOM 0 HA3 GLY A 35 22.003 -0.915 1.937 1.00 0.00 H new ATOM 475 N ARG A 36 23.410 1.763 1.260 1.00 0.00 N ATOM 476 CA ARG A 36 24.689 2.489 1.014 1.00 0.00 C ATOM 477 C ARG A 36 25.032 3.522 2.134 1.00 0.00 C ATOM 478 O ARG A 36 24.159 4.211 2.668 1.00 0.00 O ATOM 479 CB ARG A 36 24.594 3.158 -0.387 1.00 0.00 C ATOM 480 CG ARG A 36 25.893 3.829 -0.916 1.00 0.00 C ATOM 481 CD ARG A 36 25.873 4.207 -2.410 1.00 0.00 C ATOM 482 NE ARG A 36 25.022 5.399 -2.702 1.00 0.00 N ATOM 483 CZ ARG A 36 24.435 5.652 -3.874 1.00 0.00 C ATOM 484 NH1 ARG A 36 24.288 4.772 -4.829 1.00 0.00 N ATOM 485 NH2 ARG A 36 23.975 6.846 -4.093 1.00 0.00 N ATOM 0 H ARG A 36 22.646 2.062 0.654 1.00 0.00 H new ATOM 0 HA ARG A 36 25.513 1.776 1.036 1.00 0.00 H new ATOM 0 HB2 ARG A 36 24.281 2.402 -1.107 1.00 0.00 H new ATOM 0 HB3 ARG A 36 23.808 3.912 -0.354 1.00 0.00 H new ATOM 0 HG2 ARG A 36 26.082 4.730 -0.332 1.00 0.00 H new ATOM 0 HG3 ARG A 36 26.730 3.153 -0.739 1.00 0.00 H new ATOM 0 HD2 ARG A 36 26.892 4.406 -2.742 1.00 0.00 H new ATOM 0 HD3 ARG A 36 25.509 3.358 -2.989 1.00 0.00 H new ATOM 0 HE ARG A 36 24.878 6.071 -1.948 1.00 0.00 H new ATOM 0 HH11 ARG A 36 24.633 3.820 -4.703 1.00 0.00 H new ATOM 0 HH12 ARG A 36 23.828 5.037 -5.700 1.00 0.00 H new ATOM 0 HH21 ARG A 36 24.066 7.567 -3.377 1.00 0.00 H new ATOM 0 HH22 ARG A 36 23.522 7.063 -4.981 1.00 0.00 H new ATOM 499 N THR A 37 26.332 3.658 2.441 1.00 0.00 N ATOM 500 CA THR A 37 26.844 4.616 3.464 1.00 0.00 C ATOM 501 C THR A 37 26.489 6.114 3.169 1.00 0.00 C ATOM 502 O THR A 37 26.438 6.548 2.011 1.00 0.00 O ATOM 503 CB THR A 37 28.363 4.317 3.663 1.00 0.00 C ATOM 504 OG1 THR A 37 28.546 2.950 4.040 1.00 0.00 O ATOM 505 CG2 THR A 37 29.068 5.136 4.756 1.00 0.00 C ATOM 0 H THR A 37 27.067 3.111 1.993 1.00 0.00 H new ATOM 0 HA THR A 37 26.331 4.461 4.413 1.00 0.00 H new ATOM 0 HB THR A 37 28.802 4.580 2.701 1.00 0.00 H new ATOM 0 HG1 THR A 37 27.706 2.594 4.398 1.00 0.00 H new ATOM 0 HG21 THR A 37 30.118 4.847 4.807 1.00 0.00 H new ATOM 0 HG22 THR A 37 28.995 6.197 4.519 1.00 0.00 H new ATOM 0 HG23 THR A 37 28.592 4.945 5.718 1.00 0.00 H new ATOM 513 N VAL A 38 26.215 6.899 4.231 1.00 0.00 N ATOM 514 CA VAL A 38 25.886 8.353 4.099 1.00 0.00 C ATOM 515 C VAL A 38 27.145 9.156 3.607 1.00 0.00 C ATOM 516 O VAL A 38 28.188 9.166 4.267 1.00 0.00 O ATOM 517 CB VAL A 38 25.254 8.952 5.403 1.00 0.00 C ATOM 518 CG1 VAL A 38 24.845 10.431 5.220 1.00 0.00 C ATOM 519 CG2 VAL A 38 23.986 8.225 5.906 1.00 0.00 C ATOM 0 H VAL A 38 26.212 6.561 5.193 1.00 0.00 H new ATOM 0 HA VAL A 38 25.112 8.452 3.338 1.00 0.00 H new ATOM 0 HB VAL A 38 26.053 8.829 6.135 1.00 0.00 H new ATOM 0 HG11 VAL A 38 24.412 10.806 6.147 1.00 0.00 H new ATOM 0 HG12 VAL A 38 25.724 11.023 4.965 1.00 0.00 H new ATOM 0 HG13 VAL A 38 24.110 10.509 4.419 1.00 0.00 H new ATOM 0 HG21 VAL A 38 23.623 8.711 6.811 1.00 0.00 H new ATOM 0 HG22 VAL A 38 23.214 8.266 5.137 1.00 0.00 H new ATOM 0 HG23 VAL A 38 24.226 7.184 6.124 1.00 0.00 H new ATOM 529 N ALA A 39 27.030 9.775 2.413 1.00 0.00 N ATOM 530 CA ALA A 39 28.196 10.226 1.596 1.00 0.00 C ATOM 531 C ALA A 39 29.088 9.055 1.054 1.00 0.00 C ATOM 532 O ALA A 39 30.297 9.000 1.298 1.00 0.00 O ATOM 533 CB ALA A 39 28.962 11.385 2.271 1.00 0.00 C ATOM 0 H ALA A 39 26.129 9.980 1.981 1.00 0.00 H new ATOM 0 HA ALA A 39 27.789 10.654 0.680 1.00 0.00 H new ATOM 0 HB1 ALA A 39 29.802 11.681 1.642 1.00 0.00 H new ATOM 0 HB2 ALA A 39 28.292 12.234 2.405 1.00 0.00 H new ATOM 0 HB3 ALA A 39 29.333 11.059 3.242 1.00 0.00 H new ATOM 539 N GLY A 40 28.473 8.118 0.306 1.00 0.00 N ATOM 540 CA GLY A 40 29.132 6.842 -0.094 1.00 0.00 C ATOM 541 C GLY A 40 29.255 6.537 -1.600 1.00 0.00 C ATOM 542 O GLY A 40 29.292 5.363 -1.972 1.00 0.00 O ATOM 0 H GLY A 40 27.518 8.214 -0.038 1.00 0.00 H new ATOM 0 HA2 GLY A 40 30.135 6.836 0.332 1.00 0.00 H new ATOM 0 HA3 GLY A 40 28.584 6.022 0.370 1.00 0.00 H new ATOM 546 N VAL A 41 29.385 7.565 -2.449 1.00 0.00 N ATOM 547 CA VAL A 41 29.879 7.410 -3.849 1.00 0.00 C ATOM 548 C VAL A 41 31.251 8.145 -3.940 1.00 0.00 C ATOM 549 O VAL A 41 31.324 9.380 -3.925 1.00 0.00 O ATOM 550 CB VAL A 41 28.836 7.905 -4.909 1.00 0.00 C ATOM 551 CG1 VAL A 41 29.367 7.823 -6.361 1.00 0.00 C ATOM 552 CG2 VAL A 41 27.507 7.118 -4.881 1.00 0.00 C ATOM 0 H VAL A 41 29.156 8.527 -2.200 1.00 0.00 H new ATOM 0 HA VAL A 41 30.017 6.356 -4.089 1.00 0.00 H new ATOM 0 HB VAL A 41 28.661 8.942 -4.622 1.00 0.00 H new ATOM 0 HG11 VAL A 41 28.601 8.179 -7.049 1.00 0.00 H new ATOM 0 HG12 VAL A 41 30.258 8.443 -6.458 1.00 0.00 H new ATOM 0 HG13 VAL A 41 29.617 6.789 -6.599 1.00 0.00 H new ATOM 0 HG21 VAL A 41 26.833 7.515 -5.640 1.00 0.00 H new ATOM 0 HG22 VAL A 41 27.703 6.065 -5.084 1.00 0.00 H new ATOM 0 HG23 VAL A 41 27.046 7.218 -3.899 1.00 0.00 H new ATOM 562 N ASP A 42 32.333 7.363 -4.094 1.00 0.00 N ATOM 563 CA ASP A 42 33.705 7.891 -4.309 1.00 0.00 C ATOM 564 C ASP A 42 33.883 8.498 -5.743 1.00 0.00 C ATOM 565 O ASP A 42 34.043 7.781 -6.735 1.00 0.00 O ATOM 566 CB ASP A 42 34.707 6.772 -3.910 1.00 0.00 C ATOM 567 CG ASP A 42 34.800 5.509 -4.777 1.00 0.00 C ATOM 568 OD1 ASP A 42 33.704 4.709 -4.654 1.00 0.00 O ATOM 569 OD2 ASP A 42 35.762 5.238 -5.487 1.00 0.00 O ATOM 0 H ASP A 42 32.288 6.344 -4.074 1.00 0.00 H new ATOM 0 HA ASP A 42 33.911 8.749 -3.669 1.00 0.00 H new ATOM 0 HB2 ASP A 42 35.701 7.219 -3.873 1.00 0.00 H new ATOM 0 HB3 ASP A 42 34.461 6.457 -2.896 1.00 0.00 H new ATOM 574 N GLY A 43 33.749 9.829 -5.842 1.00 0.00 N ATOM 575 CA GLY A 43 33.454 10.501 -7.137 1.00 0.00 C ATOM 576 C GLY A 43 32.569 11.760 -7.018 1.00 0.00 C ATOM 577 O GLY A 43 32.938 12.809 -7.549 1.00 0.00 O ATOM 0 H GLY A 43 33.838 10.467 -5.051 1.00 0.00 H new ATOM 0 HA2 GLY A 43 34.396 10.778 -7.611 1.00 0.00 H new ATOM 0 HA3 GLY A 43 32.962 9.788 -7.798 1.00 0.00 H new ATOM 581 N PHE A 44 31.405 11.665 -6.347 1.00 0.00 N ATOM 582 CA PHE A 44 30.528 12.842 -6.102 1.00 0.00 C ATOM 583 C PHE A 44 31.013 13.690 -4.871 1.00 0.00 C ATOM 584 O PHE A 44 31.294 13.155 -3.793 1.00 0.00 O ATOM 585 CB PHE A 44 29.060 12.333 -5.957 1.00 0.00 C ATOM 586 CG PHE A 44 28.008 13.455 -6.036 1.00 0.00 C ATOM 587 CD1 PHE A 44 27.692 14.199 -4.894 1.00 0.00 C ATOM 588 CD2 PHE A 44 27.471 13.838 -7.270 1.00 0.00 C ATOM 589 CE1 PHE A 44 26.921 15.352 -5.001 1.00 0.00 C ATOM 590 CE2 PHE A 44 26.659 14.966 -7.365 1.00 0.00 C ATOM 591 CZ PHE A 44 26.400 15.731 -6.232 1.00 0.00 C ATOM 0 H PHE A 44 31.045 10.791 -5.963 1.00 0.00 H new ATOM 0 HA PHE A 44 30.579 13.528 -6.947 1.00 0.00 H new ATOM 0 HB2 PHE A 44 28.859 11.602 -6.740 1.00 0.00 H new ATOM 0 HB3 PHE A 44 28.956 11.815 -5.003 1.00 0.00 H new ATOM 0 HD1 PHE A 44 28.048 13.877 -3.926 1.00 0.00 H new ATOM 0 HD2 PHE A 44 27.687 13.256 -8.154 1.00 0.00 H new ATOM 0 HE1 PHE A 44 26.727 15.954 -4.125 1.00 0.00 H new ATOM 0 HE2 PHE A 44 26.231 15.246 -8.316 1.00 0.00 H new ATOM 0 HZ PHE A 44 25.793 16.621 -6.310 1.00 0.00 H new ATOM 601 N ASN A 45 31.051 15.028 -5.026 1.00 0.00 N ATOM 602 CA ASN A 45 31.332 15.965 -3.903 1.00 0.00 C ATOM 603 C ASN A 45 30.039 16.256 -3.069 1.00 0.00 C ATOM 604 O ASN A 45 29.168 17.020 -3.494 1.00 0.00 O ATOM 605 CB ASN A 45 31.966 17.245 -4.514 1.00 0.00 C ATOM 606 CG ASN A 45 32.528 18.231 -3.485 1.00 0.00 C ATOM 607 OD1 ASN A 45 33.664 18.123 -3.040 1.00 0.00 O ATOM 608 ND2 ASN A 45 31.759 19.203 -3.060 1.00 0.00 N ATOM 0 H ASN A 45 30.891 15.493 -5.920 1.00 0.00 H new ATOM 0 HA ASN A 45 32.032 15.525 -3.193 1.00 0.00 H new ATOM 0 HB2 ASN A 45 32.768 16.950 -5.191 1.00 0.00 H new ATOM 0 HB3 ASN A 45 31.214 17.756 -5.115 1.00 0.00 H new ATOM 0 HD21 ASN A 45 32.108 19.862 -2.364 1.00 0.00 H new ATOM 0 HD22 ASN A 45 30.812 19.301 -3.425 1.00 0.00 H new ATOM 615 N TYR A 46 29.935 15.665 -1.873 1.00 0.00 N ATOM 616 CA TYR A 46 28.786 15.885 -0.945 1.00 0.00 C ATOM 617 C TYR A 46 28.967 17.166 -0.051 1.00 0.00 C ATOM 618 O TYR A 46 30.050 17.758 0.021 1.00 0.00 O ATOM 619 CB TYR A 46 28.619 14.583 -0.098 1.00 0.00 C ATOM 620 CG TYR A 46 28.159 13.324 -0.862 1.00 0.00 C ATOM 621 CD1 TYR A 46 26.798 13.041 -1.011 1.00 0.00 C ATOM 622 CD2 TYR A 46 29.104 12.449 -1.411 1.00 0.00 C ATOM 623 CE1 TYR A 46 26.390 11.898 -1.695 1.00 0.00 C ATOM 624 CE2 TYR A 46 28.693 11.313 -2.101 1.00 0.00 C ATOM 625 CZ TYR A 46 27.338 11.028 -2.234 1.00 0.00 C ATOM 626 OH TYR A 46 26.964 9.877 -2.879 1.00 0.00 O ATOM 0 H TYR A 46 30.636 15.020 -1.509 1.00 0.00 H new ATOM 0 HA TYR A 46 27.878 16.079 -1.516 1.00 0.00 H new ATOM 0 HB2 TYR A 46 29.573 14.363 0.382 1.00 0.00 H new ATOM 0 HB3 TYR A 46 27.901 14.782 0.697 1.00 0.00 H new ATOM 0 HD1 TYR A 46 26.060 13.711 -0.594 1.00 0.00 H new ATOM 0 HD2 TYR A 46 30.158 12.657 -1.298 1.00 0.00 H new ATOM 0 HE1 TYR A 46 25.337 11.685 -1.808 1.00 0.00 H new ATOM 0 HE2 TYR A 46 29.428 10.651 -2.534 1.00 0.00 H new ATOM 0 HH TYR A 46 26.275 9.418 -2.355 1.00 0.00 H new ATOM 636 N SER A 47 27.905 17.600 0.660 1.00 0.00 N ATOM 637 CA SER A 47 28.027 18.690 1.676 1.00 0.00 C ATOM 638 C SER A 47 28.803 18.252 2.966 1.00 0.00 C ATOM 639 O SER A 47 28.794 17.077 3.347 1.00 0.00 O ATOM 640 CB SER A 47 26.614 19.220 2.017 1.00 0.00 C ATOM 641 OG SER A 47 26.716 20.470 2.702 1.00 0.00 O ATOM 0 H SER A 47 26.962 17.224 0.559 1.00 0.00 H new ATOM 0 HA SER A 47 28.627 19.489 1.240 1.00 0.00 H new ATOM 0 HB2 SER A 47 26.032 19.342 1.104 1.00 0.00 H new ATOM 0 HB3 SER A 47 26.085 18.497 2.638 1.00 0.00 H new ATOM 0 HG SER A 47 25.827 20.874 2.779 1.00 0.00 H new ATOM 647 N ASP A 48 29.447 19.204 3.667 1.00 0.00 N ATOM 648 CA ASP A 48 30.190 18.918 4.935 1.00 0.00 C ATOM 649 C ASP A 48 29.326 18.297 6.099 1.00 0.00 C ATOM 650 O ASP A 48 29.755 17.249 6.593 1.00 0.00 O ATOM 651 CB ASP A 48 30.999 20.164 5.384 1.00 0.00 C ATOM 652 CG ASP A 48 32.167 20.536 4.469 1.00 0.00 C ATOM 653 OD1 ASP A 48 33.275 20.014 4.531 1.00 0.00 O ATOM 654 OD2 ASP A 48 31.837 21.508 3.575 1.00 0.00 O ATOM 0 H ASP A 48 29.475 20.184 3.386 1.00 0.00 H new ATOM 0 HA ASP A 48 30.888 18.117 4.694 1.00 0.00 H new ATOM 0 HB2 ASP A 48 30.321 21.015 5.449 1.00 0.00 H new ATOM 0 HB3 ASP A 48 31.385 19.987 6.388 1.00 0.00 H new ATOM 659 N PRO A 49 28.123 18.796 6.532 1.00 0.00 N ATOM 660 CA PRO A 49 27.213 18.021 7.426 1.00 0.00 C ATOM 661 C PRO A 49 26.580 16.701 6.866 1.00 0.00 C ATOM 662 O PRO A 49 26.216 15.842 7.668 1.00 0.00 O ATOM 663 CB PRO A 49 26.183 19.078 7.861 1.00 0.00 C ATOM 664 CG PRO A 49 26.197 20.161 6.783 1.00 0.00 C ATOM 665 CD PRO A 49 27.573 20.101 6.123 1.00 0.00 C ATOM 0 HA PRO A 49 27.778 17.578 8.246 1.00 0.00 H new ATOM 0 HB2 PRO A 49 25.191 18.637 7.956 1.00 0.00 H new ATOM 0 HB3 PRO A 49 26.441 19.495 8.834 1.00 0.00 H new ATOM 0 HG2 PRO A 49 25.408 19.989 6.051 1.00 0.00 H new ATOM 0 HG3 PRO A 49 26.019 21.144 7.219 1.00 0.00 H new ATOM 0 HD2 PRO A 49 27.496 20.177 5.038 1.00 0.00 H new ATOM 0 HD3 PRO A 49 28.209 20.921 6.456 1.00 0.00 H new ATOM 673 N MET A 50 26.490 16.498 5.534 1.00 0.00 N ATOM 674 CA MET A 50 26.264 15.145 4.940 1.00 0.00 C ATOM 675 C MET A 50 27.472 14.160 5.124 1.00 0.00 C ATOM 676 O MET A 50 27.272 13.052 5.628 1.00 0.00 O ATOM 677 CB MET A 50 25.805 15.334 3.467 1.00 0.00 C ATOM 678 CG MET A 50 25.370 14.043 2.741 1.00 0.00 C ATOM 679 SD MET A 50 24.121 13.158 3.695 1.00 0.00 S ATOM 680 CE MET A 50 22.611 13.974 3.165 1.00 0.00 C ATOM 0 H MET A 50 26.569 17.245 4.844 1.00 0.00 H new ATOM 0 HA MET A 50 25.470 14.639 5.489 1.00 0.00 H new ATOM 0 HB2 MET A 50 24.973 16.038 3.450 1.00 0.00 H new ATOM 0 HB3 MET A 50 26.620 15.790 2.905 1.00 0.00 H new ATOM 0 HG2 MET A 50 24.973 14.291 1.756 1.00 0.00 H new ATOM 0 HG3 MET A 50 26.236 13.400 2.583 1.00 0.00 H new ATOM 0 HE1 MET A 50 21.798 13.711 3.842 1.00 0.00 H new ATOM 0 HE2 MET A 50 22.758 15.054 3.177 1.00 0.00 H new ATOM 0 HE3 MET A 50 22.360 13.653 2.154 1.00 0.00 H new ATOM 690 N LYS A 51 28.713 14.564 4.781 1.00 0.00 N ATOM 691 CA LYS A 51 29.954 13.804 5.131 1.00 0.00 C ATOM 692 C LYS A 51 30.179 13.518 6.656 1.00 0.00 C ATOM 693 O LYS A 51 30.504 12.384 7.018 1.00 0.00 O ATOM 694 CB LYS A 51 31.191 14.500 4.494 1.00 0.00 C ATOM 695 CG LYS A 51 31.227 14.538 2.947 1.00 0.00 C ATOM 696 CD LYS A 51 32.539 15.126 2.389 1.00 0.00 C ATOM 697 CE LYS A 51 32.586 15.277 0.856 1.00 0.00 C ATOM 698 NZ LYS A 51 32.590 13.976 0.150 1.00 0.00 N ATOM 0 H LYS A 51 28.894 15.420 4.256 1.00 0.00 H new ATOM 0 HA LYS A 51 29.813 12.810 4.707 1.00 0.00 H new ATOM 0 HB2 LYS A 51 31.237 15.524 4.864 1.00 0.00 H new ATOM 0 HB3 LYS A 51 32.089 13.993 4.846 1.00 0.00 H new ATOM 0 HG2 LYS A 51 31.095 13.527 2.561 1.00 0.00 H new ATOM 0 HG3 LYS A 51 30.387 15.130 2.584 1.00 0.00 H new ATOM 0 HD2 LYS A 51 32.702 16.105 2.840 1.00 0.00 H new ATOM 0 HD3 LYS A 51 33.367 14.489 2.702 1.00 0.00 H new ATOM 0 HE2 LYS A 51 31.726 15.861 0.527 1.00 0.00 H new ATOM 0 HE3 LYS A 51 33.478 15.838 0.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 32.622 14.138 -0.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 33.424 13.426 0.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 31.727 13.448 0.390 1.00 0.00 H new ATOM 711 N ALA A 52 29.969 14.506 7.543 1.00 0.00 N ATOM 712 CA ALA A 52 29.968 14.289 9.015 1.00 0.00 C ATOM 713 C ALA A 52 28.764 13.522 9.670 1.00 0.00 C ATOM 714 O ALA A 52 28.854 13.198 10.857 1.00 0.00 O ATOM 715 CB ALA A 52 30.107 15.697 9.618 1.00 0.00 C ATOM 0 H ALA A 52 29.796 15.474 7.271 1.00 0.00 H new ATOM 0 HA ALA A 52 30.783 13.598 9.232 1.00 0.00 H new ATOM 0 HB1 ALA A 52 30.115 15.628 10.706 1.00 0.00 H new ATOM 0 HB2 ALA A 52 31.038 16.149 9.276 1.00 0.00 H new ATOM 0 HB3 ALA A 52 29.267 16.314 9.300 1.00 0.00 H new ATOM 721 N HIS A 53 27.665 13.216 8.948 1.00 0.00 N ATOM 722 CA HIS A 53 26.504 12.462 9.505 1.00 0.00 C ATOM 723 C HIS A 53 26.814 10.971 9.886 1.00 0.00 C ATOM 724 O HIS A 53 26.569 10.579 11.030 1.00 0.00 O ATOM 725 CB HIS A 53 25.320 12.630 8.510 1.00 0.00 C ATOM 726 CG HIS A 53 23.961 12.105 8.982 1.00 0.00 C ATOM 727 ND1 HIS A 53 23.429 10.879 8.614 1.00 0.00 N ATOM 728 CD2 HIS A 53 23.060 12.805 9.795 1.00 0.00 C ATOM 729 CE1 HIS A 53 22.226 10.951 9.263 1.00 0.00 C ATOM 730 NE2 HIS A 53 21.907 12.067 9.989 1.00 0.00 N ATOM 0 H HIS A 53 27.550 13.479 7.969 1.00 0.00 H new ATOM 0 HA HIS A 53 26.235 12.885 10.473 1.00 0.00 H new ATOM 0 HB2 HIS A 53 25.216 13.690 8.277 1.00 0.00 H new ATOM 0 HB3 HIS A 53 25.579 12.123 7.580 1.00 0.00 H new ATOM 0 HD2 HIS A 53 23.241 13.785 10.212 1.00 0.00 H new ATOM 0 HE1 HIS A 53 21.529 10.128 9.202 1.00 0.00 H new ATOM 0 HE2 HIS A 53 21.064 12.289 10.519 1.00 0.00 H new ATOM 738 N GLY A 54 27.336 10.155 8.949 1.00 0.00 N ATOM 739 CA GLY A 54 27.664 8.732 9.225 1.00 0.00 C ATOM 740 C GLY A 54 26.492 7.725 9.138 1.00 0.00 C ATOM 741 O GLY A 54 25.326 8.074 8.935 1.00 0.00 O ATOM 0 H GLY A 54 27.541 10.451 7.995 1.00 0.00 H new ATOM 0 HA2 GLY A 54 28.437 8.418 8.524 1.00 0.00 H new ATOM 0 HA3 GLY A 54 28.095 8.669 10.224 1.00 0.00 H new ATOM 745 N GLY A 55 26.829 6.436 9.284 1.00 0.00 N ATOM 746 CA GLY A 55 25.840 5.337 9.117 1.00 0.00 C ATOM 747 C GLY A 55 25.486 4.982 7.653 1.00 0.00 C ATOM 748 O GLY A 55 26.249 5.255 6.721 1.00 0.00 O ATOM 0 H GLY A 55 27.771 6.120 9.516 1.00 0.00 H new ATOM 0 HA2 GLY A 55 26.228 4.444 9.606 1.00 0.00 H new ATOM 0 HA3 GLY A 55 24.923 5.613 9.638 1.00 0.00 H new ATOM 752 N ASP A 56 24.322 4.347 7.458 1.00 0.00 N ATOM 753 CA ASP A 56 23.856 3.908 6.108 1.00 0.00 C ATOM 754 C ASP A 56 22.406 4.387 5.800 1.00 0.00 C ATOM 755 O ASP A 56 21.581 4.596 6.699 1.00 0.00 O ATOM 756 CB ASP A 56 23.973 2.364 5.960 1.00 0.00 C ATOM 757 CG ASP A 56 25.377 1.756 6.093 1.00 0.00 C ATOM 758 OD1 ASP A 56 26.354 2.103 5.431 1.00 0.00 O ATOM 759 OD2 ASP A 56 25.422 0.777 7.037 1.00 0.00 O ATOM 0 H ASP A 56 23.674 4.119 8.212 1.00 0.00 H new ATOM 0 HA ASP A 56 24.510 4.379 5.374 1.00 0.00 H new ATOM 0 HB2 ASP A 56 23.331 1.902 6.710 1.00 0.00 H new ATOM 0 HB3 ASP A 56 23.574 2.086 4.984 1.00 0.00 H new ATOM 764 N TRP A 57 22.070 4.484 4.499 1.00 0.00 N ATOM 765 CA TRP A 57 20.690 4.794 4.034 1.00 0.00 C ATOM 766 C TRP A 57 19.723 3.572 4.143 1.00 0.00 C ATOM 767 O TRP A 57 19.340 2.921 3.167 1.00 0.00 O ATOM 768 CB TRP A 57 20.756 5.398 2.605 1.00 0.00 C ATOM 769 CG TRP A 57 21.273 6.839 2.534 1.00 0.00 C ATOM 770 CD1 TRP A 57 22.488 7.246 1.948 1.00 0.00 C ATOM 771 CD2 TRP A 57 20.724 7.982 3.095 1.00 0.00 C ATOM 772 NE1 TRP A 57 22.702 8.625 2.118 1.00 0.00 N ATOM 773 CE2 TRP A 57 21.609 9.056 2.843 1.00 0.00 C ATOM 774 CE3 TRP A 57 19.564 8.182 3.893 1.00 0.00 C ATOM 775 CZ2 TRP A 57 21.353 10.332 3.388 1.00 0.00 C ATOM 776 CZ3 TRP A 57 19.338 9.448 4.431 1.00 0.00 C ATOM 777 CH2 TRP A 57 20.223 10.506 4.187 1.00 0.00 C ATOM 0 H TRP A 57 22.738 4.352 3.739 1.00 0.00 H new ATOM 0 HA TRP A 57 20.256 5.539 4.701 1.00 0.00 H new ATOM 0 HB2 TRP A 57 21.397 4.767 1.989 1.00 0.00 H new ATOM 0 HB3 TRP A 57 19.759 5.364 2.166 1.00 0.00 H new ATOM 0 HD1 TRP A 57 23.168 6.583 1.434 1.00 0.00 H new ATOM 0 HE1 TRP A 57 23.488 9.182 1.782 1.00 0.00 H new ATOM 0 HE3 TRP A 57 18.874 7.372 4.078 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 22.019 11.158 3.190 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 18.466 9.616 5.046 1.00 0.00 H new ATOM 0 HH2 TRP A 57 20.027 11.473 4.625 1.00 0.00 H new ATOM 788 N THR A 58 19.309 3.314 5.386 1.00 0.00 N ATOM 789 CA THR A 58 18.271 2.311 5.742 1.00 0.00 C ATOM 790 C THR A 58 16.818 2.829 5.423 1.00 0.00 C ATOM 791 O THR A 58 16.624 4.049 5.323 1.00 0.00 O ATOM 792 CB THR A 58 18.441 1.952 7.258 1.00 0.00 C ATOM 793 OG1 THR A 58 18.248 3.090 8.093 1.00 0.00 O ATOM 794 CG2 THR A 58 19.793 1.324 7.646 1.00 0.00 C ATOM 0 H THR A 58 19.687 3.801 6.199 1.00 0.00 H new ATOM 0 HA THR A 58 18.405 1.416 5.135 1.00 0.00 H new ATOM 0 HB THR A 58 17.670 1.198 7.415 1.00 0.00 H new ATOM 0 HG1 THR A 58 18.360 2.830 9.031 1.00 0.00 H new ATOM 0 HG21 THR A 58 19.804 1.115 8.716 1.00 0.00 H new ATOM 0 HG22 THR A 58 19.934 0.395 7.094 1.00 0.00 H new ATOM 0 HG23 THR A 58 20.599 2.017 7.403 1.00 0.00 H new ATOM 802 N PRO A 59 15.748 1.988 5.288 1.00 0.00 N ATOM 803 CA PRO A 59 14.356 2.491 5.067 1.00 0.00 C ATOM 804 C PRO A 59 13.765 3.477 6.137 1.00 0.00 C ATOM 805 O PRO A 59 13.082 4.433 5.762 1.00 0.00 O ATOM 806 CB PRO A 59 13.560 1.188 4.850 1.00 0.00 C ATOM 807 CG PRO A 59 14.385 0.073 5.496 1.00 0.00 C ATOM 808 CD PRO A 59 15.841 0.515 5.345 1.00 0.00 C ATOM 0 HA PRO A 59 14.309 3.173 4.218 1.00 0.00 H new ATOM 0 HB2 PRO A 59 12.572 1.255 5.305 1.00 0.00 H new ATOM 0 HB3 PRO A 59 13.410 0.996 3.788 1.00 0.00 H new ATOM 0 HG2 PRO A 59 14.119 -0.057 6.545 1.00 0.00 H new ATOM 0 HG3 PRO A 59 14.210 -0.883 5.003 1.00 0.00 H new ATOM 0 HD2 PRO A 59 16.451 0.183 6.185 1.00 0.00 H new ATOM 0 HD3 PRO A 59 16.293 0.106 4.442 1.00 0.00 H new ATOM 816 N GLU A 60 14.102 3.305 7.433 1.00 0.00 N ATOM 817 CA GLU A 60 13.884 4.340 8.487 1.00 0.00 C ATOM 818 C GLU A 60 14.632 5.706 8.258 1.00 0.00 C ATOM 819 O GLU A 60 13.984 6.757 8.291 1.00 0.00 O ATOM 820 CB GLU A 60 14.196 3.678 9.858 1.00 0.00 C ATOM 821 CG GLU A 60 13.771 4.513 11.092 1.00 0.00 C ATOM 822 CD GLU A 60 14.063 3.827 12.423 1.00 0.00 C ATOM 823 OE1 GLU A 60 15.334 4.052 12.856 1.00 0.00 O ATOM 824 OE2 GLU A 60 13.244 3.151 13.037 1.00 0.00 O ATOM 0 H GLU A 60 14.532 2.450 7.786 1.00 0.00 H new ATOM 0 HA GLU A 60 12.842 4.659 8.448 1.00 0.00 H new ATOM 0 HB2 GLU A 60 13.696 2.711 9.901 1.00 0.00 H new ATOM 0 HB3 GLU A 60 15.267 3.486 9.918 1.00 0.00 H new ATOM 0 HG2 GLU A 60 14.287 5.473 11.066 1.00 0.00 H new ATOM 0 HG3 GLU A 60 12.703 4.724 11.028 1.00 0.00 H new ATOM 831 N ALA A 61 15.958 5.701 8.004 1.00 0.00 N ATOM 832 CA ALA A 61 16.712 6.923 7.593 1.00 0.00 C ATOM 833 C ALA A 61 16.239 7.620 6.272 1.00 0.00 C ATOM 834 O ALA A 61 16.074 8.844 6.254 1.00 0.00 O ATOM 835 CB ALA A 61 18.202 6.531 7.542 1.00 0.00 C ATOM 0 H ALA A 61 16.538 4.865 8.074 1.00 0.00 H new ATOM 0 HA ALA A 61 16.515 7.697 8.334 1.00 0.00 H new ATOM 0 HB1 ALA A 61 18.796 7.395 7.245 1.00 0.00 H new ATOM 0 HB2 ALA A 61 18.523 6.192 8.527 1.00 0.00 H new ATOM 0 HB3 ALA A 61 18.342 5.728 6.818 1.00 0.00 H new ATOM 841 N LEU A 62 15.973 6.852 5.196 1.00 0.00 N ATOM 842 CA LEU A 62 15.328 7.365 3.955 1.00 0.00 C ATOM 843 C LEU A 62 13.906 7.986 4.149 1.00 0.00 C ATOM 844 O LEU A 62 13.693 9.101 3.674 1.00 0.00 O ATOM 845 CB LEU A 62 15.318 6.244 2.876 1.00 0.00 C ATOM 846 CG LEU A 62 16.688 5.859 2.256 1.00 0.00 C ATOM 847 CD1 LEU A 62 16.578 4.518 1.516 1.00 0.00 C ATOM 848 CD2 LEU A 62 17.212 6.933 1.282 1.00 0.00 C ATOM 0 H LEU A 62 16.197 5.858 5.156 1.00 0.00 H new ATOM 0 HA LEU A 62 15.936 8.206 3.623 1.00 0.00 H new ATOM 0 HB2 LEU A 62 14.882 5.349 3.320 1.00 0.00 H new ATOM 0 HB3 LEU A 62 14.655 6.555 2.069 1.00 0.00 H new ATOM 0 HG LEU A 62 17.397 5.777 3.080 1.00 0.00 H new ATOM 0 HD11 LEU A 62 17.546 4.259 1.086 1.00 0.00 H new ATOM 0 HD12 LEU A 62 16.273 3.740 2.216 1.00 0.00 H new ATOM 0 HD13 LEU A 62 15.838 4.601 0.720 1.00 0.00 H new ATOM 0 HD21 LEU A 62 18.173 6.617 0.875 1.00 0.00 H new ATOM 0 HD22 LEU A 62 16.499 7.065 0.468 1.00 0.00 H new ATOM 0 HD23 LEU A 62 17.336 7.877 1.813 1.00 0.00 H new ATOM 860 N GLN A 63 12.945 7.340 4.847 1.00 0.00 N ATOM 861 CA GLN A 63 11.617 7.968 5.139 1.00 0.00 C ATOM 862 C GLN A 63 11.628 9.267 6.021 1.00 0.00 C ATOM 863 O GLN A 63 10.862 10.193 5.742 1.00 0.00 O ATOM 864 CB GLN A 63 10.592 6.898 5.600 1.00 0.00 C ATOM 865 CG GLN A 63 10.697 6.398 7.064 1.00 0.00 C ATOM 866 CD GLN A 63 9.733 5.268 7.448 1.00 0.00 C ATOM 867 OE1 GLN A 63 8.905 4.788 6.681 1.00 0.00 O ATOM 868 NE2 GLN A 63 9.801 4.811 8.675 1.00 0.00 N ATOM 0 H GLN A 63 13.052 6.396 5.218 1.00 0.00 H new ATOM 0 HA GLN A 63 11.282 8.373 4.184 1.00 0.00 H new ATOM 0 HB2 GLN A 63 9.591 7.304 5.453 1.00 0.00 H new ATOM 0 HB3 GLN A 63 10.686 6.035 4.941 1.00 0.00 H new ATOM 0 HG2 GLN A 63 11.717 6.057 7.241 1.00 0.00 H new ATOM 0 HG3 GLN A 63 10.523 7.242 7.731 1.00 0.00 H new ATOM 0 HE21 GLN A 63 10.484 5.198 9.326 1.00 0.00 H new ATOM 0 HE22 GLN A 63 9.171 4.068 8.978 1.00 0.00 H new ATOM 877 N GLU A 64 12.510 9.371 7.035 1.00 0.00 N ATOM 878 CA GLU A 64 12.806 10.664 7.723 1.00 0.00 C ATOM 879 C GLU A 64 13.427 11.755 6.787 1.00 0.00 C ATOM 880 O GLU A 64 12.860 12.845 6.670 1.00 0.00 O ATOM 881 CB GLU A 64 13.692 10.414 8.980 1.00 0.00 C ATOM 882 CG GLU A 64 13.056 9.608 10.140 1.00 0.00 C ATOM 883 CD GLU A 64 11.877 10.284 10.838 1.00 0.00 C ATOM 884 OE1 GLU A 64 11.996 11.092 11.753 1.00 0.00 O ATOM 885 OE2 GLU A 64 10.676 9.891 10.330 1.00 0.00 O ATOM 0 H GLU A 64 13.036 8.578 7.403 1.00 0.00 H new ATOM 0 HA GLU A 64 11.847 11.075 8.037 1.00 0.00 H new ATOM 0 HB2 GLU A 64 14.594 9.893 8.660 1.00 0.00 H new ATOM 0 HB3 GLU A 64 14.005 11.382 9.372 1.00 0.00 H new ATOM 0 HG2 GLU A 64 12.723 8.646 9.751 1.00 0.00 H new ATOM 0 HG3 GLU A 64 13.827 9.403 10.883 1.00 0.00 H new ATOM 892 N PHE A 65 14.552 11.468 6.102 1.00 0.00 N ATOM 893 CA PHE A 65 15.171 12.409 5.124 1.00 0.00 C ATOM 894 C PHE A 65 14.286 12.813 3.896 1.00 0.00 C ATOM 895 O PHE A 65 14.270 13.986 3.526 1.00 0.00 O ATOM 896 CB PHE A 65 16.537 11.792 4.723 1.00 0.00 C ATOM 897 CG PHE A 65 17.477 12.738 3.962 1.00 0.00 C ATOM 898 CD1 PHE A 65 18.173 13.730 4.659 1.00 0.00 C ATOM 899 CD2 PHE A 65 17.658 12.611 2.580 1.00 0.00 C ATOM 900 CE1 PHE A 65 19.022 14.597 3.981 1.00 0.00 C ATOM 901 CE2 PHE A 65 18.522 13.472 1.905 1.00 0.00 C ATOM 902 CZ PHE A 65 19.198 14.467 2.609 1.00 0.00 C ATOM 0 H PHE A 65 15.059 10.589 6.203 1.00 0.00 H new ATOM 0 HA PHE A 65 15.296 13.377 5.610 1.00 0.00 H new ATOM 0 HB2 PHE A 65 17.043 11.450 5.626 1.00 0.00 H new ATOM 0 HB3 PHE A 65 16.354 10.912 4.106 1.00 0.00 H new ATOM 0 HD1 PHE A 65 18.051 13.823 5.728 1.00 0.00 H new ATOM 0 HD2 PHE A 65 17.127 11.844 2.035 1.00 0.00 H new ATOM 0 HE1 PHE A 65 19.545 15.372 4.521 1.00 0.00 H new ATOM 0 HE2 PHE A 65 18.667 13.368 0.840 1.00 0.00 H new ATOM 0 HZ PHE A 65 19.861 15.140 2.086 1.00 0.00 H new ATOM 912 N LEU A 66 13.525 11.890 3.288 1.00 0.00 N ATOM 913 CA LEU A 66 12.496 12.243 2.266 1.00 0.00 C ATOM 914 C LEU A 66 11.172 12.888 2.810 1.00 0.00 C ATOM 915 O LEU A 66 10.432 13.460 2.010 1.00 0.00 O ATOM 916 CB LEU A 66 12.228 11.012 1.352 1.00 0.00 C ATOM 917 CG LEU A 66 13.442 10.382 0.608 1.00 0.00 C ATOM 918 CD1 LEU A 66 12.988 9.173 -0.227 1.00 0.00 C ATOM 919 CD2 LEU A 66 14.198 11.386 -0.279 1.00 0.00 C ATOM 0 H LEU A 66 13.594 10.890 3.478 1.00 0.00 H new ATOM 0 HA LEU A 66 12.926 13.056 1.681 1.00 0.00 H new ATOM 0 HB2 LEU A 66 11.770 10.235 1.963 1.00 0.00 H new ATOM 0 HB3 LEU A 66 11.492 11.305 0.604 1.00 0.00 H new ATOM 0 HG LEU A 66 14.142 10.057 1.378 1.00 0.00 H new ATOM 0 HD11 LEU A 66 13.847 8.743 -0.741 1.00 0.00 H new ATOM 0 HD12 LEU A 66 12.545 8.423 0.429 1.00 0.00 H new ATOM 0 HD13 LEU A 66 12.249 9.495 -0.961 1.00 0.00 H new ATOM 0 HD21 LEU A 66 15.032 10.883 -0.769 1.00 0.00 H new ATOM 0 HD22 LEU A 66 13.521 11.786 -1.034 1.00 0.00 H new ATOM 0 HD23 LEU A 66 14.577 12.202 0.337 1.00 0.00 H new ATOM 931 N THR A 67 10.877 12.877 4.130 1.00 0.00 N ATOM 932 CA THR A 67 9.870 13.791 4.749 1.00 0.00 C ATOM 933 C THR A 67 10.325 15.294 4.711 1.00 0.00 C ATOM 934 O THR A 67 9.587 16.125 4.180 1.00 0.00 O ATOM 935 CB THR A 67 9.510 13.293 6.185 1.00 0.00 C ATOM 936 OG1 THR A 67 9.087 11.933 6.184 1.00 0.00 O ATOM 937 CG2 THR A 67 8.352 14.062 6.830 1.00 0.00 C ATOM 0 H THR A 67 11.321 12.244 4.796 1.00 0.00 H new ATOM 0 HA THR A 67 8.959 13.758 4.151 1.00 0.00 H new ATOM 0 HB THR A 67 10.433 13.444 6.745 1.00 0.00 H new ATOM 0 HG1 THR A 67 9.857 11.351 6.354 1.00 0.00 H new ATOM 0 HG21 THR A 67 8.159 13.661 7.825 1.00 0.00 H new ATOM 0 HG22 THR A 67 8.615 15.117 6.909 1.00 0.00 H new ATOM 0 HG23 THR A 67 7.458 13.956 6.216 1.00 0.00 H new ATOM 945 N ASN A 68 11.514 15.641 5.248 1.00 0.00 N ATOM 946 CA ASN A 68 12.146 16.972 5.029 1.00 0.00 C ATOM 947 C ASN A 68 13.710 16.795 5.068 1.00 0.00 C ATOM 948 O ASN A 68 14.232 16.480 6.148 1.00 0.00 O ATOM 949 CB ASN A 68 11.613 18.001 6.065 1.00 0.00 C ATOM 950 CG ASN A 68 12.061 19.453 5.824 1.00 0.00 C ATOM 951 OD1 ASN A 68 13.233 19.763 5.626 1.00 0.00 O ATOM 952 ND2 ASN A 68 11.160 20.402 5.862 1.00 0.00 N ATOM 0 H ASN A 68 12.063 15.018 5.840 1.00 0.00 H new ATOM 0 HA ASN A 68 11.882 17.373 4.051 1.00 0.00 H new ATOM 0 HB2 ASN A 68 10.524 17.967 6.062 1.00 0.00 H new ATOM 0 HB3 ASN A 68 11.939 17.696 7.059 1.00 0.00 H new ATOM 0 HD21 ASN A 68 11.438 21.374 5.729 1.00 0.00 H new ATOM 0 HD22 ASN A 68 10.180 20.169 6.025 1.00 0.00 H new ATOM 959 N PRO A 69 14.504 17.002 3.973 1.00 0.00 N ATOM 960 CA PRO A 69 15.974 16.745 3.996 1.00 0.00 C ATOM 961 C PRO A 69 16.850 17.766 4.789 1.00 0.00 C ATOM 962 O PRO A 69 17.706 17.358 5.577 1.00 0.00 O ATOM 963 CB PRO A 69 16.303 16.633 2.495 1.00 0.00 C ATOM 964 CG PRO A 69 15.251 17.473 1.774 1.00 0.00 C ATOM 965 CD PRO A 69 13.989 17.335 2.628 1.00 0.00 C ATOM 0 HA PRO A 69 16.224 15.851 4.568 1.00 0.00 H new ATOM 0 HB2 PRO A 69 17.307 17.001 2.286 1.00 0.00 H new ATOM 0 HB3 PRO A 69 16.269 15.595 2.164 1.00 0.00 H new ATOM 0 HG2 PRO A 69 15.563 18.514 1.694 1.00 0.00 H new ATOM 0 HG3 PRO A 69 15.084 17.112 0.759 1.00 0.00 H new ATOM 0 HD2 PRO A 69 13.411 18.259 2.639 1.00 0.00 H new ATOM 0 HD3 PRO A 69 13.332 16.553 2.247 1.00 0.00 H new ATOM 973 N LYS A 70 16.614 19.073 4.596 1.00 0.00 N ATOM 974 CA LYS A 70 17.294 20.164 5.358 1.00 0.00 C ATOM 975 C LYS A 70 16.942 20.287 6.881 1.00 0.00 C ATOM 976 O LYS A 70 17.805 20.707 7.655 1.00 0.00 O ATOM 977 CB LYS A 70 17.095 21.500 4.589 1.00 0.00 C ATOM 978 CG LYS A 70 17.854 21.589 3.240 1.00 0.00 C ATOM 979 CD LYS A 70 17.531 22.868 2.448 1.00 0.00 C ATOM 980 CE LYS A 70 18.299 22.914 1.118 1.00 0.00 C ATOM 981 NZ LYS A 70 17.898 24.096 0.333 1.00 0.00 N ATOM 0 H LYS A 70 15.946 19.418 3.907 1.00 0.00 H new ATOM 0 HA LYS A 70 18.349 19.892 5.402 1.00 0.00 H new ATOM 0 HB2 LYS A 70 16.030 21.641 4.402 1.00 0.00 H new ATOM 0 HB3 LYS A 70 17.418 22.323 5.227 1.00 0.00 H new ATOM 0 HG2 LYS A 70 18.926 21.548 3.430 1.00 0.00 H new ATOM 0 HG3 LYS A 70 17.605 20.720 2.632 1.00 0.00 H new ATOM 0 HD2 LYS A 70 16.460 22.916 2.253 1.00 0.00 H new ATOM 0 HD3 LYS A 70 17.785 23.742 3.047 1.00 0.00 H new ATOM 0 HE2 LYS A 70 19.371 22.945 1.311 1.00 0.00 H new ATOM 0 HE3 LYS A 70 18.104 22.007 0.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 18.426 24.113 -0.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 16.878 24.051 0.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 18.107 24.959 0.874 1.00 0.00 H new ATOM 994 N ALA A 71 15.735 19.892 7.336 1.00 0.00 N ATOM 995 CA ALA A 71 15.472 19.617 8.777 1.00 0.00 C ATOM 996 C ALA A 71 16.242 18.401 9.398 1.00 0.00 C ATOM 997 O ALA A 71 16.733 18.516 10.523 1.00 0.00 O ATOM 998 CB ALA A 71 13.951 19.462 8.942 1.00 0.00 C ATOM 0 H ALA A 71 14.924 19.754 6.733 1.00 0.00 H new ATOM 0 HA ALA A 71 15.864 20.462 9.343 1.00 0.00 H new ATOM 0 HB1 ALA A 71 13.717 19.259 9.987 1.00 0.00 H new ATOM 0 HB2 ALA A 71 13.456 20.382 8.631 1.00 0.00 H new ATOM 0 HB3 ALA A 71 13.600 18.635 8.325 1.00 0.00 H new ATOM 1004 N VAL A 72 16.364 17.258 8.688 1.00 0.00 N ATOM 1005 CA VAL A 72 17.190 16.094 9.146 1.00 0.00 C ATOM 1006 C VAL A 72 18.733 16.388 9.082 1.00 0.00 C ATOM 1007 O VAL A 72 19.401 16.269 10.114 1.00 0.00 O ATOM 1008 CB VAL A 72 16.728 14.778 8.421 1.00 0.00 C ATOM 1009 CG1 VAL A 72 17.633 13.547 8.678 1.00 0.00 C ATOM 1010 CG2 VAL A 72 15.294 14.343 8.810 1.00 0.00 C ATOM 0 H VAL A 72 15.903 17.106 7.791 1.00 0.00 H new ATOM 0 HA VAL A 72 17.010 15.928 10.208 1.00 0.00 H new ATOM 0 HB VAL A 72 16.786 15.063 7.371 1.00 0.00 H new ATOM 0 HG11 VAL A 72 17.238 12.686 8.139 1.00 0.00 H new ATOM 0 HG12 VAL A 72 18.644 13.760 8.331 1.00 0.00 H new ATOM 0 HG13 VAL A 72 17.655 13.328 9.746 1.00 0.00 H new ATOM 0 HG21 VAL A 72 15.034 13.429 8.277 1.00 0.00 H new ATOM 0 HG22 VAL A 72 15.247 14.162 9.884 1.00 0.00 H new ATOM 0 HG23 VAL A 72 14.590 15.131 8.544 1.00 0.00 H new ATOM 1020 N VAL A 73 19.305 16.750 7.914 1.00 0.00 N ATOM 1021 CA VAL A 73 20.738 17.165 7.810 1.00 0.00 C ATOM 1022 C VAL A 73 20.767 18.716 7.613 1.00 0.00 C ATOM 1023 O VAL A 73 20.540 19.222 6.508 1.00 0.00 O ATOM 1024 CB VAL A 73 21.507 16.379 6.692 1.00 0.00 C ATOM 1025 CG1 VAL A 73 22.993 16.799 6.578 1.00 0.00 C ATOM 1026 CG2 VAL A 73 21.496 14.844 6.885 1.00 0.00 C ATOM 0 H VAL A 73 18.805 16.766 7.025 1.00 0.00 H new ATOM 0 HA VAL A 73 21.273 16.911 8.725 1.00 0.00 H new ATOM 0 HB VAL A 73 20.959 16.639 5.786 1.00 0.00 H new ATOM 0 HG11 VAL A 73 23.475 16.222 5.788 1.00 0.00 H new ATOM 0 HG12 VAL A 73 23.054 17.861 6.340 1.00 0.00 H new ATOM 0 HG13 VAL A 73 23.498 16.610 7.525 1.00 0.00 H new ATOM 0 HG21 VAL A 73 22.048 14.371 6.072 1.00 0.00 H new ATOM 0 HG22 VAL A 73 21.965 14.594 7.836 1.00 0.00 H new ATOM 0 HG23 VAL A 73 20.467 14.484 6.882 1.00 0.00 H new ATOM 1036 N LYS A 74 21.094 19.471 8.679 1.00 0.00 N ATOM 1037 CA LYS A 74 21.163 20.960 8.624 1.00 0.00 C ATOM 1038 C LYS A 74 22.425 21.436 7.827 1.00 0.00 C ATOM 1039 O LYS A 74 23.560 21.320 8.299 1.00 0.00 O ATOM 1040 CB LYS A 74 21.082 21.488 10.086 1.00 0.00 C ATOM 1041 CG LYS A 74 20.704 22.978 10.271 1.00 0.00 C ATOM 1042 CD LYS A 74 21.840 23.992 9.998 1.00 0.00 C ATOM 1043 CE LYS A 74 21.472 25.460 10.278 1.00 0.00 C ATOM 1044 NZ LYS A 74 21.421 25.751 11.726 1.00 0.00 N ATOM 0 H LYS A 74 21.317 19.081 9.595 1.00 0.00 H new ATOM 0 HA LYS A 74 20.324 21.381 8.070 1.00 0.00 H new ATOM 0 HB2 LYS A 74 20.353 20.883 10.626 1.00 0.00 H new ATOM 0 HB3 LYS A 74 22.049 21.321 10.561 1.00 0.00 H new ATOM 0 HG2 LYS A 74 19.869 23.208 9.609 1.00 0.00 H new ATOM 0 HG3 LYS A 74 20.351 23.121 11.292 1.00 0.00 H new ATOM 0 HD2 LYS A 74 22.702 23.725 10.609 1.00 0.00 H new ATOM 0 HD3 LYS A 74 22.147 23.901 8.956 1.00 0.00 H new ATOM 0 HE2 LYS A 74 22.203 26.114 9.802 1.00 0.00 H new ATOM 0 HE3 LYS A 74 20.504 25.683 9.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 21.170 26.750 11.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 20.706 25.145 12.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 22.351 25.563 12.151 1.00 0.00 H new ATOM 1057 N GLY A 75 22.206 21.937 6.599 1.00 0.00 N ATOM 1058 CA GLY A 75 23.304 22.212 5.625 1.00 0.00 C ATOM 1059 C GLY A 75 23.533 21.220 4.451 1.00 0.00 C ATOM 1060 O GLY A 75 24.595 21.270 3.823 1.00 0.00 O ATOM 0 H GLY A 75 21.277 22.165 6.246 1.00 0.00 H new ATOM 0 HA2 GLY A 75 23.123 23.197 5.194 1.00 0.00 H new ATOM 0 HA3 GLY A 75 24.235 22.277 6.188 1.00 0.00 H new ATOM 1064 N THR A 76 22.565 20.355 4.110 1.00 0.00 N ATOM 1065 CA THR A 76 22.607 19.528 2.870 1.00 0.00 C ATOM 1066 C THR A 76 22.281 20.352 1.582 1.00 0.00 C ATOM 1067 O THR A 76 21.308 21.111 1.541 1.00 0.00 O ATOM 1068 CB THR A 76 21.693 18.275 3.037 1.00 0.00 C ATOM 1069 OG1 THR A 76 21.797 17.417 1.912 1.00 0.00 O ATOM 1070 CG2 THR A 76 20.184 18.517 3.206 1.00 0.00 C ATOM 0 H THR A 76 21.730 20.202 4.676 1.00 0.00 H new ATOM 0 HA THR A 76 23.631 19.182 2.727 1.00 0.00 H new ATOM 0 HB THR A 76 22.073 17.855 3.969 1.00 0.00 H new ATOM 0 HG1 THR A 76 22.707 17.056 1.859 1.00 0.00 H new ATOM 0 HG21 THR A 76 19.672 17.561 3.311 1.00 0.00 H new ATOM 0 HG22 THR A 76 20.010 19.122 4.096 1.00 0.00 H new ATOM 0 HG23 THR A 76 19.799 19.040 2.331 1.00 0.00 H new ATOM 1078 N LYS A 77 23.064 20.146 0.507 1.00 0.00 N ATOM 1079 CA LYS A 77 22.702 20.668 -0.856 1.00 0.00 C ATOM 1080 C LYS A 77 21.688 19.816 -1.712 1.00 0.00 C ATOM 1081 O LYS A 77 21.440 20.122 -2.881 1.00 0.00 O ATOM 1082 CB LYS A 77 23.990 21.123 -1.597 1.00 0.00 C ATOM 1083 CG LYS A 77 25.031 20.052 -1.997 1.00 0.00 C ATOM 1084 CD LYS A 77 26.272 20.681 -2.659 1.00 0.00 C ATOM 1085 CE LYS A 77 27.364 19.648 -2.975 1.00 0.00 C ATOM 1086 NZ LYS A 77 28.515 20.317 -3.611 1.00 0.00 N ATOM 0 H LYS A 77 23.944 19.631 0.537 1.00 0.00 H new ATOM 0 HA LYS A 77 22.074 21.543 -0.689 1.00 0.00 H new ATOM 0 HB2 LYS A 77 23.684 21.642 -2.505 1.00 0.00 H new ATOM 0 HB3 LYS A 77 24.494 21.855 -0.966 1.00 0.00 H new ATOM 0 HG2 LYS A 77 25.335 19.492 -1.113 1.00 0.00 H new ATOM 0 HG3 LYS A 77 24.574 19.339 -2.684 1.00 0.00 H new ATOM 0 HD2 LYS A 77 25.973 21.181 -3.580 1.00 0.00 H new ATOM 0 HD3 LYS A 77 26.682 21.446 -2.000 1.00 0.00 H new ATOM 0 HE2 LYS A 77 27.682 19.149 -2.059 1.00 0.00 H new ATOM 0 HE3 LYS A 77 26.968 18.878 -3.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 29.019 19.639 -4.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 28.178 21.113 -4.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 29.160 20.671 -2.876 1.00 0.00 H new ATOM 1099 N MET A 78 21.008 18.830 -1.095 1.00 0.00 N ATOM 1100 CA MET A 78 19.676 18.307 -1.520 1.00 0.00 C ATOM 1101 C MET A 78 18.564 19.417 -1.517 1.00 0.00 C ATOM 1102 O MET A 78 17.800 19.566 -0.555 1.00 0.00 O ATOM 1103 CB MET A 78 19.352 17.144 -0.522 1.00 0.00 C ATOM 1104 CG MET A 78 19.721 15.720 -0.946 1.00 0.00 C ATOM 1105 SD MET A 78 18.482 14.692 -1.872 1.00 0.00 S ATOM 1106 CE MET A 78 16.845 15.326 -1.366 1.00 0.00 C ATOM 0 H MET A 78 21.370 18.358 -0.267 1.00 0.00 H new ATOM 0 HA MET A 78 19.701 17.956 -2.552 1.00 0.00 H new ATOM 0 HB2 MET A 78 19.861 17.357 0.418 1.00 0.00 H new ATOM 0 HB3 MET A 78 18.282 17.166 -0.317 1.00 0.00 H new ATOM 0 HG2 MET A 78 20.618 15.785 -1.562 1.00 0.00 H new ATOM 0 HG3 MET A 78 19.993 15.171 -0.045 1.00 0.00 H new ATOM 0 HE1 MET A 78 16.081 14.581 -1.590 1.00 0.00 H new ATOM 0 HE2 MET A 78 16.849 15.531 -0.295 1.00 0.00 H new ATOM 0 HE3 MET A 78 16.627 16.245 -1.910 1.00 0.00 H new ATOM 1116 N ALA A 79 18.479 20.209 -2.605 1.00 0.00 N ATOM 1117 CA ALA A 79 17.529 21.352 -2.693 1.00 0.00 C ATOM 1118 C ALA A 79 16.081 20.898 -3.072 1.00 0.00 C ATOM 1119 O ALA A 79 15.632 20.976 -4.219 1.00 0.00 O ATOM 1120 CB ALA A 79 18.156 22.402 -3.631 1.00 0.00 C ATOM 0 H ALA A 79 19.054 20.083 -3.438 1.00 0.00 H new ATOM 0 HA ALA A 79 17.382 21.816 -1.718 1.00 0.00 H new ATOM 0 HB1 ALA A 79 17.486 23.257 -3.720 1.00 0.00 H new ATOM 0 HB2 ALA A 79 19.111 22.731 -3.222 1.00 0.00 H new ATOM 0 HB3 ALA A 79 18.315 21.962 -4.615 1.00 0.00 H new ATOM 1126 N PHE A 80 15.373 20.384 -2.054 1.00 0.00 N ATOM 1127 CA PHE A 80 14.057 19.717 -2.209 1.00 0.00 C ATOM 1128 C PHE A 80 13.237 19.926 -0.895 1.00 0.00 C ATOM 1129 O PHE A 80 13.745 19.713 0.211 1.00 0.00 O ATOM 1130 CB PHE A 80 14.319 18.213 -2.527 1.00 0.00 C ATOM 1131 CG PHE A 80 13.073 17.388 -2.878 1.00 0.00 C ATOM 1132 CD1 PHE A 80 12.491 17.496 -4.145 1.00 0.00 C ATOM 1133 CD2 PHE A 80 12.490 16.547 -1.923 1.00 0.00 C ATOM 1134 CE1 PHE A 80 11.332 16.785 -4.447 1.00 0.00 C ATOM 1135 CE2 PHE A 80 11.330 15.840 -2.228 1.00 0.00 C ATOM 1136 CZ PHE A 80 10.750 15.959 -3.488 1.00 0.00 C ATOM 0 H PHE A 80 15.696 20.417 -1.087 1.00 0.00 H new ATOM 0 HA PHE A 80 13.472 20.137 -3.027 1.00 0.00 H new ATOM 0 HB2 PHE A 80 15.021 18.152 -3.359 1.00 0.00 H new ATOM 0 HB3 PHE A 80 14.806 17.756 -1.665 1.00 0.00 H new ATOM 0 HD1 PHE A 80 12.942 18.133 -4.892 1.00 0.00 H new ATOM 0 HD2 PHE A 80 12.941 16.446 -0.947 1.00 0.00 H new ATOM 0 HE1 PHE A 80 10.884 16.874 -5.426 1.00 0.00 H new ATOM 0 HE2 PHE A 80 10.879 15.198 -1.486 1.00 0.00 H new ATOM 0 HZ PHE A 80 9.849 15.411 -3.722 1.00 0.00 H new ATOM 1146 N ALA A 81 11.952 20.305 -1.009 1.00 0.00 N ATOM 1147 CA ALA A 81 11.068 20.491 0.176 1.00 0.00 C ATOM 1148 C ALA A 81 10.692 19.182 0.952 1.00 0.00 C ATOM 1149 O ALA A 81 10.939 19.102 2.159 1.00 0.00 O ATOM 1150 CB ALA A 81 9.844 21.301 -0.296 1.00 0.00 C ATOM 0 H ALA A 81 11.495 20.490 -1.902 1.00 0.00 H new ATOM 0 HA ALA A 81 11.622 21.038 0.939 1.00 0.00 H new ATOM 0 HB1 ALA A 81 9.168 21.461 0.544 1.00 0.00 H new ATOM 0 HB2 ALA A 81 10.173 22.264 -0.685 1.00 0.00 H new ATOM 0 HB3 ALA A 81 9.324 20.751 -1.081 1.00 0.00 H new ATOM 1156 N GLY A 82 10.107 18.175 0.279 1.00 0.00 N ATOM 1157 CA GLY A 82 9.710 16.904 0.934 1.00 0.00 C ATOM 1158 C GLY A 82 8.590 16.123 0.214 1.00 0.00 C ATOM 1159 O GLY A 82 7.779 16.674 -0.536 1.00 0.00 O ATOM 0 H GLY A 82 9.896 18.212 -0.718 1.00 0.00 H new ATOM 0 HA2 GLY A 82 10.588 16.263 1.011 1.00 0.00 H new ATOM 0 HA3 GLY A 82 9.384 17.123 1.951 1.00 0.00 H new ATOM 1163 N LEU A 83 8.523 14.818 0.503 1.00 0.00 N ATOM 1164 CA LEU A 83 7.381 13.949 0.114 1.00 0.00 C ATOM 1165 C LEU A 83 6.432 13.793 1.359 1.00 0.00 C ATOM 1166 O LEU A 83 6.776 13.006 2.252 1.00 0.00 O ATOM 1167 CB LEU A 83 7.913 12.571 -0.380 1.00 0.00 C ATOM 1168 CG LEU A 83 8.738 12.522 -1.692 1.00 0.00 C ATOM 1169 CD1 LEU A 83 9.262 11.096 -1.933 1.00 0.00 C ATOM 1170 CD2 LEU A 83 7.940 12.974 -2.926 1.00 0.00 C ATOM 0 H LEU A 83 9.255 14.324 1.014 1.00 0.00 H new ATOM 0 HA LEU A 83 6.817 14.394 -0.706 1.00 0.00 H new ATOM 0 HB2 LEU A 83 8.529 12.150 0.414 1.00 0.00 H new ATOM 0 HB3 LEU A 83 7.055 11.910 -0.503 1.00 0.00 H new ATOM 0 HG LEU A 83 9.564 13.221 -1.560 1.00 0.00 H new ATOM 0 HD11 LEU A 83 9.840 11.072 -2.857 1.00 0.00 H new ATOM 0 HD12 LEU A 83 9.897 10.796 -1.100 1.00 0.00 H new ATOM 0 HD13 LEU A 83 8.420 10.408 -2.014 1.00 0.00 H new ATOM 0 HD21 LEU A 83 8.574 12.916 -3.811 1.00 0.00 H new ATOM 0 HD22 LEU A 83 7.074 12.325 -3.057 1.00 0.00 H new ATOM 0 HD23 LEU A 83 7.605 14.002 -2.786 1.00 0.00 H new ATOM 1182 N PRO A 84 5.262 14.492 1.495 1.00 0.00 N ATOM 1183 CA PRO A 84 4.436 14.450 2.741 1.00 0.00 C ATOM 1184 C PRO A 84 3.667 13.125 3.063 1.00 0.00 C ATOM 1185 O PRO A 84 3.586 12.747 4.237 1.00 0.00 O ATOM 1186 CB PRO A 84 3.521 15.679 2.570 1.00 0.00 C ATOM 1187 CG PRO A 84 3.404 15.889 1.059 1.00 0.00 C ATOM 1188 CD PRO A 84 4.780 15.495 0.521 1.00 0.00 C ATOM 0 HA PRO A 84 5.073 14.475 3.625 1.00 0.00 H new ATOM 0 HB2 PRO A 84 2.543 15.507 3.020 1.00 0.00 H new ATOM 0 HB3 PRO A 84 3.946 16.557 3.057 1.00 0.00 H new ATOM 0 HG2 PRO A 84 2.616 15.270 0.630 1.00 0.00 H new ATOM 0 HG3 PRO A 84 3.163 16.924 0.818 1.00 0.00 H new ATOM 0 HD2 PRO A 84 4.713 15.078 -0.484 1.00 0.00 H new ATOM 0 HD3 PRO A 84 5.449 16.353 0.466 1.00 0.00 H new ATOM 1196 N LYS A 85 3.152 12.403 2.054 1.00 0.00 N ATOM 1197 CA LYS A 85 2.470 11.095 2.252 1.00 0.00 C ATOM 1198 C LYS A 85 3.480 9.918 2.456 1.00 0.00 C ATOM 1199 O LYS A 85 4.443 9.752 1.697 1.00 0.00 O ATOM 1200 CB LYS A 85 1.555 10.799 1.032 1.00 0.00 C ATOM 1201 CG LYS A 85 0.328 11.725 0.864 1.00 0.00 C ATOM 1202 CD LYS A 85 -0.555 11.320 -0.336 1.00 0.00 C ATOM 1203 CE LYS A 85 -1.793 12.213 -0.539 1.00 0.00 C ATOM 1204 NZ LYS A 85 -1.436 13.549 -1.066 1.00 0.00 N ATOM 0 H LYS A 85 3.192 12.700 1.079 1.00 0.00 H new ATOM 0 HA LYS A 85 1.875 11.169 3.162 1.00 0.00 H new ATOM 0 HB2 LYS A 85 2.159 10.861 0.127 1.00 0.00 H new ATOM 0 HB3 LYS A 85 1.201 9.771 1.109 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -0.269 11.701 1.775 1.00 0.00 H new ATOM 0 HG3 LYS A 85 0.667 12.752 0.732 1.00 0.00 H new ATOM 0 HD2 LYS A 85 0.050 11.345 -1.242 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -0.883 10.289 -0.200 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -2.483 11.725 -1.228 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -2.317 12.326 0.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -2.299 14.116 -1.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -0.799 14.027 -0.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -0.959 13.444 -1.984 1.00 0.00 H new ATOM 1217 N ILE A 86 3.203 9.048 3.446 1.00 0.00 N ATOM 1218 CA ILE A 86 3.927 7.752 3.629 1.00 0.00 C ATOM 1219 C ILE A 86 3.899 6.772 2.402 1.00 0.00 C ATOM 1220 O ILE A 86 4.943 6.197 2.087 1.00 0.00 O ATOM 1221 CB ILE A 86 3.514 7.106 5.001 1.00 0.00 C ATOM 1222 CG1 ILE A 86 4.386 5.887 5.411 1.00 0.00 C ATOM 1223 CG2 ILE A 86 2.023 6.678 5.084 1.00 0.00 C ATOM 1224 CD1 ILE A 86 5.872 6.175 5.684 1.00 0.00 C ATOM 0 H ILE A 86 2.477 9.212 4.144 1.00 0.00 H new ATOM 0 HA ILE A 86 4.991 7.986 3.672 1.00 0.00 H new ATOM 0 HB ILE A 86 3.685 7.924 5.701 1.00 0.00 H new ATOM 0 HG12 ILE A 86 3.953 5.442 6.307 1.00 0.00 H new ATOM 0 HG13 ILE A 86 4.322 5.139 4.621 1.00 0.00 H new ATOM 0 HG21 ILE A 86 1.823 6.242 6.063 1.00 0.00 H new ATOM 0 HG22 ILE A 86 1.385 7.550 4.938 1.00 0.00 H new ATOM 0 HG23 ILE A 86 1.812 5.941 4.309 1.00 0.00 H new ATOM 0 HD11 ILE A 86 6.377 5.250 5.961 1.00 0.00 H new ATOM 0 HD12 ILE A 86 6.334 6.586 4.786 1.00 0.00 H new ATOM 0 HD13 ILE A 86 5.960 6.894 6.499 1.00 0.00 H new ATOM 1236 N GLU A 87 2.763 6.621 1.688 1.00 0.00 N ATOM 1237 CA GLU A 87 2.707 5.875 0.395 1.00 0.00 C ATOM 1238 C GLU A 87 3.696 6.349 -0.724 1.00 0.00 C ATOM 1239 O GLU A 87 4.377 5.501 -1.294 1.00 0.00 O ATOM 1240 CB GLU A 87 1.238 5.726 -0.090 1.00 0.00 C ATOM 1241 CG GLU A 87 0.479 7.014 -0.512 1.00 0.00 C ATOM 1242 CD GLU A 87 -0.905 6.756 -1.101 1.00 0.00 C ATOM 1243 OE1 GLU A 87 -1.826 6.447 -0.140 1.00 0.00 O ATOM 1244 OE2 GLU A 87 -1.151 6.828 -2.301 1.00 0.00 O ATOM 0 H GLU A 87 1.864 7.005 1.980 1.00 0.00 H new ATOM 0 HA GLU A 87 3.096 4.882 0.621 1.00 0.00 H new ATOM 0 HB2 GLU A 87 1.233 5.042 -0.938 1.00 0.00 H new ATOM 0 HB3 GLU A 87 0.669 5.248 0.708 1.00 0.00 H new ATOM 0 HG2 GLU A 87 0.377 7.664 0.357 1.00 0.00 H new ATOM 0 HG3 GLU A 87 1.079 7.553 -1.245 1.00 0.00 H new ATOM 1251 N ASP A 88 3.855 7.662 -0.995 1.00 0.00 N ATOM 1252 CA ASP A 88 4.946 8.176 -1.887 1.00 0.00 C ATOM 1253 C ASP A 88 6.401 7.793 -1.449 1.00 0.00 C ATOM 1254 O ASP A 88 7.182 7.310 -2.273 1.00 0.00 O ATOM 1255 CB ASP A 88 4.817 9.715 -2.061 1.00 0.00 C ATOM 1256 CG ASP A 88 3.613 10.194 -2.873 1.00 0.00 C ATOM 1257 OD1 ASP A 88 3.270 9.703 -3.943 1.00 0.00 O ATOM 1258 OD2 ASP A 88 2.977 11.245 -2.288 1.00 0.00 O ATOM 0 H ASP A 88 3.251 8.392 -0.617 1.00 0.00 H new ATOM 0 HA ASP A 88 4.798 7.671 -2.842 1.00 0.00 H new ATOM 0 HB2 ASP A 88 4.769 10.171 -1.072 1.00 0.00 H new ATOM 0 HB3 ASP A 88 5.724 10.085 -2.539 1.00 0.00 H new ATOM 1263 N ARG A 89 6.742 7.967 -0.158 1.00 0.00 N ATOM 1264 CA ARG A 89 8.033 7.494 0.421 1.00 0.00 C ATOM 1265 C ARG A 89 8.238 5.942 0.358 1.00 0.00 C ATOM 1266 O ARG A 89 9.235 5.494 -0.208 1.00 0.00 O ATOM 1267 CB ARG A 89 8.195 8.050 1.865 1.00 0.00 C ATOM 1268 CG ARG A 89 8.114 9.594 2.010 1.00 0.00 C ATOM 1269 CD ARG A 89 8.547 10.158 3.374 1.00 0.00 C ATOM 1270 NE ARG A 89 7.697 9.701 4.514 1.00 0.00 N ATOM 1271 CZ ARG A 89 6.639 10.350 5.001 1.00 0.00 C ATOM 1272 NH1 ARG A 89 6.138 11.429 4.467 1.00 0.00 N ATOM 1273 NH2 ARG A 89 6.066 9.887 6.072 1.00 0.00 N ATOM 0 H ARG A 89 6.139 8.436 0.518 1.00 0.00 H new ATOM 0 HA ARG A 89 8.828 7.893 -0.209 1.00 0.00 H new ATOM 0 HB2 ARG A 89 7.424 7.604 2.494 1.00 0.00 H new ATOM 0 HB3 ARG A 89 9.157 7.718 2.256 1.00 0.00 H new ATOM 0 HG2 ARG A 89 8.735 10.046 1.237 1.00 0.00 H new ATOM 0 HG3 ARG A 89 7.087 9.905 1.818 1.00 0.00 H new ATOM 0 HD2 ARG A 89 9.580 9.868 3.565 1.00 0.00 H new ATOM 0 HD3 ARG A 89 8.524 11.247 3.330 1.00 0.00 H new ATOM 0 HE ARG A 89 7.947 8.817 4.958 1.00 0.00 H new ATOM 0 HH11 ARG A 89 6.559 11.824 3.626 1.00 0.00 H new ATOM 0 HH12 ARG A 89 5.326 11.878 4.890 1.00 0.00 H new ATOM 0 HH21 ARG A 89 6.427 9.045 6.520 1.00 0.00 H new ATOM 0 HH22 ARG A 89 5.255 10.366 6.464 1.00 0.00 H new ATOM 1287 N ALA A 90 7.295 5.131 0.879 1.00 0.00 N ATOM 1288 CA ALA A 90 7.302 3.652 0.722 1.00 0.00 C ATOM 1289 C ALA A 90 7.295 3.082 -0.736 1.00 0.00 C ATOM 1290 O ALA A 90 8.067 2.162 -1.015 1.00 0.00 O ATOM 1291 CB ALA A 90 6.107 3.137 1.543 1.00 0.00 C ATOM 0 H ALA A 90 6.504 5.478 1.422 1.00 0.00 H new ATOM 0 HA ALA A 90 8.266 3.290 1.080 1.00 0.00 H new ATOM 0 HB1 ALA A 90 6.056 2.051 1.469 1.00 0.00 H new ATOM 0 HB2 ALA A 90 6.232 3.424 2.587 1.00 0.00 H new ATOM 0 HB3 ALA A 90 5.185 3.571 1.155 1.00 0.00 H new ATOM 1297 N ASN A 91 6.482 3.625 -1.666 1.00 0.00 N ATOM 1298 CA ASN A 91 6.557 3.290 -3.120 1.00 0.00 C ATOM 1299 C ASN A 91 7.949 3.580 -3.782 1.00 0.00 C ATOM 1300 O ASN A 91 8.518 2.694 -4.427 1.00 0.00 O ATOM 1301 CB ASN A 91 5.417 4.013 -3.898 1.00 0.00 C ATOM 1302 CG ASN A 91 3.963 3.611 -3.612 1.00 0.00 C ATOM 1303 OD1 ASN A 91 3.644 2.608 -2.986 1.00 0.00 O ATOM 1304 ND2 ASN A 91 3.015 4.385 -4.081 1.00 0.00 N ATOM 0 H ASN A 91 5.756 4.305 -1.441 1.00 0.00 H new ATOM 0 HA ASN A 91 6.426 2.210 -3.184 1.00 0.00 H new ATOM 0 HB2 ASN A 91 5.509 5.082 -3.704 1.00 0.00 H new ATOM 0 HB3 ASN A 91 5.598 3.866 -4.963 1.00 0.00 H new ATOM 0 HD21 ASN A 91 2.036 4.146 -3.921 1.00 0.00 H new ATOM 0 HD22 ASN A 91 3.256 5.226 -4.606 1.00 0.00 H new ATOM 1311 N LEU A 92 8.511 4.794 -3.601 1.00 0.00 N ATOM 1312 CA LEU A 92 9.914 5.112 -3.993 1.00 0.00 C ATOM 1313 C LEU A 92 11.029 4.253 -3.303 1.00 0.00 C ATOM 1314 O LEU A 92 11.915 3.759 -4.004 1.00 0.00 O ATOM 1315 CB LEU A 92 10.106 6.645 -3.825 1.00 0.00 C ATOM 1316 CG LEU A 92 11.454 7.254 -4.295 1.00 0.00 C ATOM 1317 CD1 LEU A 92 11.783 6.933 -5.761 1.00 0.00 C ATOM 1318 CD2 LEU A 92 11.423 8.779 -4.124 1.00 0.00 C ATOM 0 H LEU A 92 8.015 5.581 -3.183 1.00 0.00 H new ATOM 0 HA LEU A 92 10.050 4.823 -5.035 1.00 0.00 H new ATOM 0 HB2 LEU A 92 9.304 7.146 -4.367 1.00 0.00 H new ATOM 0 HB3 LEU A 92 9.977 6.886 -2.770 1.00 0.00 H new ATOM 0 HG LEU A 92 12.229 6.803 -3.675 1.00 0.00 H new ATOM 0 HD11 LEU A 92 12.737 7.387 -6.028 1.00 0.00 H new ATOM 0 HD12 LEU A 92 11.846 5.853 -5.892 1.00 0.00 H new ATOM 0 HD13 LEU A 92 10.999 7.331 -6.405 1.00 0.00 H new ATOM 0 HD21 LEU A 92 12.372 9.202 -4.455 1.00 0.00 H new ATOM 0 HD22 LEU A 92 10.612 9.196 -4.721 1.00 0.00 H new ATOM 0 HD23 LEU A 92 11.264 9.024 -3.074 1.00 0.00 H new ATOM 1330 N ILE A 93 10.981 4.026 -1.976 1.00 0.00 N ATOM 1331 CA ILE A 93 11.886 3.058 -1.272 1.00 0.00 C ATOM 1332 C ILE A 93 11.754 1.586 -1.815 1.00 0.00 C ATOM 1333 O ILE A 93 12.790 0.991 -2.112 1.00 0.00 O ATOM 1334 CB ILE A 93 11.766 3.224 0.290 1.00 0.00 C ATOM 1335 CG1 ILE A 93 12.221 4.633 0.791 1.00 0.00 C ATOM 1336 CG2 ILE A 93 12.557 2.150 1.086 1.00 0.00 C ATOM 1337 CD1 ILE A 93 11.723 5.028 2.193 1.00 0.00 C ATOM 0 H ILE A 93 10.324 4.497 -1.354 1.00 0.00 H new ATOM 0 HA ILE A 93 12.919 3.308 -1.512 1.00 0.00 H new ATOM 0 HB ILE A 93 10.701 3.097 0.483 1.00 0.00 H new ATOM 0 HG12 ILE A 93 13.310 4.666 0.788 1.00 0.00 H new ATOM 0 HG13 ILE A 93 11.877 5.382 0.078 1.00 0.00 H new ATOM 0 HG21 ILE A 93 12.431 2.323 2.155 1.00 0.00 H new ATOM 0 HG22 ILE A 93 12.181 1.159 0.832 1.00 0.00 H new ATOM 0 HG23 ILE A 93 13.615 2.213 0.830 1.00 0.00 H new ATOM 0 HD11 ILE A 93 12.094 6.021 2.444 1.00 0.00 H new ATOM 0 HD12 ILE A 93 10.633 5.035 2.203 1.00 0.00 H new ATOM 0 HD13 ILE A 93 12.089 4.308 2.925 1.00 0.00 H new ATOM 1349 N ALA A 94 10.544 1.019 -2.022 1.00 0.00 N ATOM 1350 CA ALA A 94 10.363 -0.246 -2.796 1.00 0.00 C ATOM 1351 C ALA A 94 10.953 -0.278 -4.248 1.00 0.00 C ATOM 1352 O ALA A 94 11.626 -1.247 -4.611 1.00 0.00 O ATOM 1353 CB ALA A 94 8.861 -0.584 -2.792 1.00 0.00 C ATOM 0 H ALA A 94 9.673 1.413 -1.666 1.00 0.00 H new ATOM 0 HA ALA A 94 10.960 -1.004 -2.289 1.00 0.00 H new ATOM 0 HB1 ALA A 94 8.694 -1.505 -3.350 1.00 0.00 H new ATOM 0 HB2 ALA A 94 8.520 -0.715 -1.765 1.00 0.00 H new ATOM 0 HB3 ALA A 94 8.304 0.229 -3.258 1.00 0.00 H new ATOM 1359 N TYR A 95 10.749 0.779 -5.061 1.00 0.00 N ATOM 1360 CA TYR A 95 11.476 0.975 -6.352 1.00 0.00 C ATOM 1361 C TYR A 95 13.042 0.999 -6.244 1.00 0.00 C ATOM 1362 O TYR A 95 13.709 0.283 -6.994 1.00 0.00 O ATOM 1363 CB TYR A 95 10.860 2.236 -7.023 1.00 0.00 C ATOM 1364 CG TYR A 95 11.404 2.611 -8.412 1.00 0.00 C ATOM 1365 CD1 TYR A 95 11.182 1.777 -9.513 1.00 0.00 C ATOM 1366 CD2 TYR A 95 12.123 3.799 -8.587 1.00 0.00 C ATOM 1367 CE1 TYR A 95 11.679 2.121 -10.768 1.00 0.00 C ATOM 1368 CE2 TYR A 95 12.605 4.149 -9.845 1.00 0.00 C ATOM 1369 CZ TYR A 95 12.382 3.312 -10.934 1.00 0.00 C ATOM 1370 OH TYR A 95 12.827 3.676 -12.176 1.00 0.00 O ATOM 0 H TYR A 95 10.082 1.522 -4.851 1.00 0.00 H new ATOM 0 HA TYR A 95 11.331 0.099 -6.984 1.00 0.00 H new ATOM 0 HB2 TYR A 95 9.784 2.086 -7.108 1.00 0.00 H new ATOM 0 HB3 TYR A 95 11.012 3.085 -6.357 1.00 0.00 H new ATOM 0 HD1 TYR A 95 10.622 0.862 -9.389 1.00 0.00 H new ATOM 0 HD2 TYR A 95 12.305 4.447 -7.742 1.00 0.00 H new ATOM 0 HE1 TYR A 95 11.519 1.465 -11.611 1.00 0.00 H new ATOM 0 HE2 TYR A 95 13.152 5.071 -9.976 1.00 0.00 H new ATOM 0 HH TYR A 95 13.079 4.623 -12.169 1.00 0.00 H new ATOM 1380 N LEU A 96 13.620 1.773 -5.311 1.00 0.00 N ATOM 1381 CA LEU A 96 15.087 1.767 -5.033 1.00 0.00 C ATOM 1382 C LEU A 96 15.658 0.482 -4.320 1.00 0.00 C ATOM 1383 O LEU A 96 16.834 0.165 -4.510 1.00 0.00 O ATOM 1384 CB LEU A 96 15.429 3.082 -4.276 1.00 0.00 C ATOM 1385 CG LEU A 96 15.088 4.437 -4.971 1.00 0.00 C ATOM 1386 CD1 LEU A 96 15.332 5.615 -4.015 1.00 0.00 C ATOM 1387 CD2 LEU A 96 15.859 4.653 -6.285 1.00 0.00 C ATOM 0 H LEU A 96 13.096 2.422 -4.724 1.00 0.00 H new ATOM 0 HA LEU A 96 15.599 1.723 -5.995 1.00 0.00 H new ATOM 0 HB2 LEU A 96 14.912 3.059 -3.317 1.00 0.00 H new ATOM 0 HB3 LEU A 96 16.498 3.076 -4.062 1.00 0.00 H new ATOM 0 HG LEU A 96 14.030 4.390 -5.228 1.00 0.00 H new ATOM 0 HD11 LEU A 96 15.088 6.550 -4.520 1.00 0.00 H new ATOM 0 HD12 LEU A 96 14.702 5.504 -3.133 1.00 0.00 H new ATOM 0 HD13 LEU A 96 16.379 5.628 -3.714 1.00 0.00 H new ATOM 0 HD21 LEU A 96 15.577 5.613 -6.719 1.00 0.00 H new ATOM 0 HD22 LEU A 96 16.930 4.646 -6.084 1.00 0.00 H new ATOM 0 HD23 LEU A 96 15.616 3.853 -6.985 1.00 0.00 H new ATOM 1399 N GLU A 97 14.856 -0.287 -3.553 1.00 0.00 N ATOM 1400 CA GLU A 97 15.148 -1.717 -3.210 1.00 0.00 C ATOM 1401 C GLU A 97 15.250 -2.688 -4.438 1.00 0.00 C ATOM 1402 O GLU A 97 16.163 -3.516 -4.470 1.00 0.00 O ATOM 1403 CB GLU A 97 14.080 -2.245 -2.208 1.00 0.00 C ATOM 1404 CG GLU A 97 14.181 -1.702 -0.765 1.00 0.00 C ATOM 1405 CD GLU A 97 13.024 -2.131 0.133 1.00 0.00 C ATOM 1406 OE1 GLU A 97 13.273 -3.308 0.771 1.00 0.00 O ATOM 1407 OE2 GLU A 97 11.987 -1.489 0.269 1.00 0.00 O ATOM 0 H GLU A 97 13.985 0.056 -3.148 1.00 0.00 H new ATOM 0 HA GLU A 97 16.142 -1.712 -2.762 1.00 0.00 H new ATOM 0 HB2 GLU A 97 13.092 -2.002 -2.599 1.00 0.00 H new ATOM 0 HB3 GLU A 97 14.150 -3.332 -2.172 1.00 0.00 H new ATOM 0 HG2 GLU A 97 15.118 -2.041 -0.323 1.00 0.00 H new ATOM 0 HG3 GLU A 97 14.220 -0.613 -0.798 1.00 0.00 H new ATOM 1414 N GLY A 98 14.351 -2.590 -5.439 1.00 0.00 N ATOM 1415 CA GLY A 98 14.567 -3.223 -6.772 1.00 0.00 C ATOM 1416 C GLY A 98 15.752 -2.704 -7.629 1.00 0.00 C ATOM 1417 O GLY A 98 16.481 -3.512 -8.208 1.00 0.00 O ATOM 0 H GLY A 98 13.470 -2.083 -5.358 1.00 0.00 H new ATOM 0 HA2 GLY A 98 14.707 -4.293 -6.617 1.00 0.00 H new ATOM 0 HA3 GLY A 98 13.653 -3.102 -7.354 1.00 0.00 H new ATOM 1421 N GLN A 99 15.941 -1.377 -7.720 1.00 0.00 N ATOM 1422 CA GLN A 99 17.065 -0.757 -8.475 1.00 0.00 C ATOM 1423 C GLN A 99 18.395 -0.742 -7.637 1.00 0.00 C ATOM 1424 O GLN A 99 18.711 0.232 -6.942 1.00 0.00 O ATOM 1425 CB GLN A 99 16.575 0.655 -8.925 1.00 0.00 C ATOM 1426 CG GLN A 99 17.196 1.184 -10.241 1.00 0.00 C ATOM 1427 CD GLN A 99 16.718 0.507 -11.531 1.00 0.00 C ATOM 1428 OE1 GLN A 99 17.415 -0.287 -12.151 1.00 0.00 O ATOM 1429 NE2 GLN A 99 15.522 0.797 -11.990 1.00 0.00 N ATOM 0 H GLN A 99 15.325 -0.696 -7.276 1.00 0.00 H new ATOM 0 HA GLN A 99 17.326 -1.341 -9.357 1.00 0.00 H new ATOM 0 HB2 GLN A 99 15.492 0.625 -9.040 1.00 0.00 H new ATOM 0 HB3 GLN A 99 16.792 1.367 -8.129 1.00 0.00 H new ATOM 0 HG2 GLN A 99 16.986 2.251 -10.315 1.00 0.00 H new ATOM 0 HG3 GLN A 99 18.279 1.076 -10.177 1.00 0.00 H new ATOM 0 HE21 GLN A 99 14.928 1.456 -11.486 1.00 0.00 H new ATOM 0 HE22 GLN A 99 15.187 0.363 -12.850 1.00 0.00 H new ATOM 1438 N GLN A 100 19.148 -1.853 -7.688 1.00 0.00 N ATOM 1439 CA GLN A 100 20.374 -2.060 -6.873 1.00 0.00 C ATOM 1440 C GLN A 100 21.551 -2.471 -7.795 1.00 0.00 C ATOM 1441 O GLN A 100 22.436 -1.620 -8.055 1.00 0.00 O ATOM 1442 CB GLN A 100 20.093 -3.073 -5.725 1.00 0.00 C ATOM 1443 CG GLN A 100 19.239 -2.550 -4.532 1.00 0.00 C ATOM 1444 CD GLN A 100 19.958 -1.604 -3.571 1.00 0.00 C ATOM 1445 OE1 GLN A 100 21.001 -1.905 -3.001 1.00 0.00 O ATOM 1446 NE2 GLN A 100 19.420 -0.440 -3.321 1.00 0.00 N ATOM 1447 OXT GLN A 100 21.606 -3.636 -8.256 1.00 0.00 O ATOM 0 H GLN A 100 18.929 -2.642 -8.297 1.00 0.00 H new ATOM 0 HA GLN A 100 20.669 -1.130 -6.387 1.00 0.00 H new ATOM 0 HB2 GLN A 100 19.589 -3.941 -6.151 1.00 0.00 H new ATOM 0 HB3 GLN A 100 21.050 -3.420 -5.334 1.00 0.00 H new ATOM 0 HG2 GLN A 100 18.364 -2.037 -4.932 1.00 0.00 H new ATOM 0 HG3 GLN A 100 18.875 -3.407 -3.966 1.00 0.00 H new ATOM 0 HE21 GLN A 100 18.552 -0.169 -3.784 1.00 0.00 H new ATOM 0 HE22 GLN A 100 19.868 0.198 -2.663 1.00 0.00 H new TER 1456 GLN A 100 HETATM 1457 FE HEC A 101 18.832 14.181 -3.885 1.00 0.00 FE HETATM 1458 CHA HEC A 101 21.731 13.314 -2.258 1.00 0.00 C HETATM 1459 CHB HEC A 101 17.690 11.194 -2.525 1.00 0.00 C HETATM 1460 CHC HEC A 101 15.828 15.081 -4.864 1.00 0.00 C HETATM 1461 CHD HEC A 101 20.061 16.739 -5.327 1.00 0.00 C HETATM 1462 NA HEC A 101 19.452 12.775 -2.588 1.00 0.00 N HETATM 1463 C1A HEC A 101 20.648 12.555 -2.075 1.00 0.00 C HETATM 1464 C2A HEC A 101 20.822 11.428 -1.334 1.00 0.00 C HETATM 1465 C3A HEC A 101 19.637 10.843 -1.371 1.00 0.00 C HETATM 1466 C4A HEC A 101 18.902 11.640 -2.190 1.00 0.00 C HETATM 1467 CMA HEC A 101 19.265 9.534 -0.641 1.00 0.00 C HETATM 1468 CAA HEC A 101 22.068 10.831 -0.634 1.00 0.00 C HETATM 1469 CBA HEC A 101 22.782 9.805 -1.551 1.00 0.00 C HETATM 1470 CGA HEC A 101 24.152 9.273 -1.122 1.00 0.00 C HETATM 1471 O1A HEC A 101 24.799 8.615 -1.971 1.00 0.00 O HETATM 1472 O2A HEC A 101 24.621 9.530 0.009 1.00 0.00 O HETATM 1473 NB HEC A 101 17.195 13.287 -3.773 1.00 0.00 N HETATM 1474 C1B HEC A 101 16.783 11.990 -3.347 1.00 0.00 C HETATM 1475 C2B HEC A 101 15.476 11.642 -3.675 1.00 0.00 C HETATM 1476 C3B HEC A 101 14.902 12.779 -4.204 1.00 0.00 C HETATM 1477 C4B HEC A 101 15.925 13.749 -4.230 1.00 0.00 C HETATM 1478 CMB HEC A 101 14.833 10.251 -3.572 1.00 0.00 C HETATM 1479 CAB HEC A 101 13.490 12.870 -4.831 1.00 0.00 C HETATM 1480 CBB HEC A 101 12.369 12.756 -3.784 1.00 0.00 C HETATM 1481 NC HEC A 101 18.076 15.691 -4.679 1.00 0.00 N HETATM 1482 C1C HEC A 101 16.868 15.891 -5.100 1.00 0.00 C HETATM 1483 C2C HEC A 101 16.716 16.976 -5.895 1.00 0.00 C HETATM 1484 C3C HEC A 101 17.956 17.428 -6.095 1.00 0.00 C HETATM 1485 C4C HEC A 101 18.725 16.600 -5.341 1.00 0.00 C HETATM 1486 CMC HEC A 101 15.459 17.576 -6.550 1.00 0.00 C HETATM 1487 CAC HEC A 101 18.371 18.574 -7.064 1.00 0.00 C HETATM 1488 CBC HEC A 101 17.705 19.931 -6.780 1.00 0.00 C HETATM 1489 ND HEC A 101 20.570 14.741 -3.939 1.00 0.00 N HETATM 1490 C1D HEC A 101 21.020 15.907 -4.579 1.00 0.00 C HETATM 1491 C2D HEC A 101 22.347 16.261 -4.289 1.00 0.00 C HETATM 1492 C3D HEC A 101 22.813 15.317 -3.397 1.00 0.00 C HETATM 1493 C4D HEC A 101 21.740 14.440 -3.194 1.00 0.00 C HETATM 1494 CMD HEC A 101 23.081 17.540 -4.705 1.00 0.00 C HETATM 1495 CAD HEC A 101 24.054 15.470 -2.503 1.00 0.00 C HETATM 1496 CBD HEC A 101 23.957 16.614 -1.462 1.00 0.00 C HETATM 1497 CGD HEC A 101 23.622 16.208 -0.034 1.00 0.00 C HETATM 1498 O1D HEC A 101 24.062 16.925 0.897 1.00 0.00 O HETATM 1499 O2D HEC A 101 22.896 15.213 0.181 1.00 0.00 O HETATM 0 HMD3 HEC A 101 23.102 17.610 -5.793 1.00 0.00 H new HETATM 0 HMD2 HEC A 101 22.562 18.407 -4.295 1.00 0.00 H new HETATM 0 HMD1 HEC A 101 24.102 17.514 -4.323 1.00 0.00 H new HETATM 0 HMC3 HEC A 101 15.007 16.839 -7.214 1.00 0.00 H new HETATM 0 HMC2 HEC A 101 14.743 17.855 -5.776 1.00 0.00 H new HETATM 0 HMC1 HEC A 101 15.735 18.460 -7.124 1.00 0.00 H new HETATM 0 HMB3 HEC A 101 15.380 9.550 -4.202 1.00 0.00 H new HETATM 0 HMB2 HEC A 101 14.866 9.911 -2.537 1.00 0.00 H new HETATM 0 HMB1 HEC A 101 13.796 10.304 -3.904 1.00 0.00 H new HETATM 0 HMA3 HEC A 101 19.908 8.727 -0.992 1.00 0.00 H new HETATM 0 HMA2 HEC A 101 19.400 9.665 0.433 1.00 0.00 H new HETATM 0 HMA1 HEC A 101 18.224 9.285 -0.848 1.00 0.00 H new HETATM 0 HBD2 HEC A 101 24.908 17.146 -1.451 1.00 0.00 H new HETATM 0 HBD1 HEC A 101 23.200 17.321 -1.802 1.00 0.00 H new HETATM 0 HBC3 HEC A 101 16.623 19.829 -6.860 1.00 0.00 H new HETATM 0 HBC2 HEC A 101 17.965 20.261 -5.774 1.00 0.00 H new HETATM 0 HBC1 HEC A 101 18.054 20.667 -7.505 1.00 0.00 H new HETATM 0 HBB3 HEC A 101 12.446 11.797 -3.272 1.00 0.00 H new HETATM 0 HBB2 HEC A 101 12.465 13.564 -3.059 1.00 0.00 H new HETATM 0 HBB1 HEC A 101 11.400 12.826 -4.279 1.00 0.00 H new HETATM 0 HBA2 HEC A 101 22.117 8.950 -1.673 1.00 0.00 H new HETATM 0 HBA1 HEC A 101 22.897 10.262 -2.534 1.00 0.00 H new HETATM 0 HAD2 HEC A 101 24.226 14.531 -1.977 1.00 0.00 H new HETATM 0 HAD1 HEC A 101 24.924 15.645 -3.136 1.00 0.00 H new HETATM 0 HAA2 HEC A 101 22.760 11.631 -0.370 1.00 0.00 H new HETATM 0 HAA1 HEC A 101 21.770 10.347 0.296 1.00 0.00 H new HETATM 0 HHD HEC A 101 20.477 17.547 -5.929 1.00 0.00 H new HETATM 0 HHC HEC A 101 14.839 15.429 -5.161 1.00 0.00 H new HETATM 0 HHB HEC A 101 17.369 10.212 -2.177 1.00 0.00 H new HETATM 0 HHA HEC A 101 22.636 13.089 -1.694 1.00 0.00 H new HETATM 0 H2D HEC A 101 22.167 15.465 0.786 1.00 0.00 H new HETATM 0 H2A HEC A 101 25.255 10.274 -0.061 1.00 0.00 H new