USER MOD reduce.3.24.130724 H: found=0, std=0, add=515, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 518 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 36 HIS HE2 : A 36 HIS NE2 : A 93 HECFE :(H bumps) USER MOD NoAdj-H: A 93 HEC HAC : A 93 HEC CAC : A 35 CYS SG :(H bumps) USER MOD NoAdj-H: A 93 HEC HAB : A 93 HEC CAB : A 32 CYS SG :(H bumps) USER MOD Set 1.1: A 55 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 93 HEC O2A : rot 178:sc= 0 USER MOD Single : A 29 GLN : amide:sc= 0.86 K(o=0.86,f=-0.29) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 LYS NZ :NH3+ -152:sc= 1.21 (180deg=1.12) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.142 USER MOD Single : A 44 SER OG : rot -34:sc= 0.647 USER MOD Single : A 50 LYS NZ :NH3+ 165:sc= 1.29 (180deg=1.1) USER MOD Single : A 54 ASN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= 0.531 K(o=0.53,f=-0.38) USER MOD Single : A 68 GLN : amide:sc= -0.58 K(o=-0.58,f=-10!) USER MOD Single : A 71 MET CE :methyl 178:sc= -0.0017 (180deg=-0.0141) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ -128:sc= 1.17 (180deg=-0.559) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 HEC O2D : rot 165:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 22 -13.798 4.849 0.334 1.00 0.00 N ATOM 2 CA VAL A 22 -12.725 5.004 -0.648 1.00 0.00 C ATOM 3 C VAL A 22 -12.217 3.600 -0.913 1.00 0.00 C ATOM 4 O VAL A 22 -11.785 2.923 0.015 1.00 0.00 O ATOM 5 CB VAL A 22 -11.595 5.942 -0.191 1.00 0.00 C ATOM 6 CG1 VAL A 22 -10.676 6.225 -1.386 1.00 0.00 C ATOM 7 CG2 VAL A 22 -12.125 7.281 0.336 1.00 0.00 C ATOM 0 HA VAL A 22 -13.107 5.483 -1.549 1.00 0.00 H new ATOM 0 HB VAL A 22 -11.062 5.446 0.620 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -9.870 6.890 -1.076 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -10.254 5.288 -1.750 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -11.250 6.699 -2.182 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -11.288 7.907 0.646 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -12.684 7.786 -0.451 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -12.780 7.103 1.189 1.00 0.00 H new ATOM 19 N ASP A 23 -12.396 3.149 -2.142 1.00 0.00 N ATOM 20 CA ASP A 23 -12.310 1.763 -2.539 1.00 0.00 C ATOM 21 C ASP A 23 -10.841 1.364 -2.502 1.00 0.00 C ATOM 22 O ASP A 23 -10.059 1.721 -3.379 1.00 0.00 O ATOM 23 CB ASP A 23 -12.937 1.630 -3.934 1.00 0.00 C ATOM 24 CG ASP A 23 -14.369 2.157 -3.975 1.00 0.00 C ATOM 25 OD1 ASP A 23 -14.532 3.347 -3.610 1.00 0.00 O ATOM 26 OD2 ASP A 23 -15.261 1.370 -4.345 1.00 0.00 O ATOM 0 H ASP A 23 -12.615 3.770 -2.921 1.00 0.00 H new ATOM 0 HA ASP A 23 -12.854 1.094 -1.872 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -12.330 2.175 -4.657 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -12.928 0.583 -4.236 1.00 0.00 H new ATOM 31 N ALA A 24 -10.466 0.680 -1.422 1.00 0.00 N ATOM 32 CA ALA A 24 -9.087 0.432 -1.054 1.00 0.00 C ATOM 33 C ALA A 24 -8.260 -0.103 -2.218 1.00 0.00 C ATOM 34 O ALA A 24 -7.187 0.420 -2.523 1.00 0.00 O ATOM 35 CB ALA A 24 -9.049 -0.550 0.103 1.00 0.00 C ATOM 0 H ALA A 24 -11.135 0.276 -0.767 1.00 0.00 H new ATOM 0 HA ALA A 24 -8.644 1.384 -0.760 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -8.013 -0.741 0.385 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -9.585 -0.130 0.954 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -9.521 -1.485 -0.198 1.00 0.00 H new ATOM 41 N GLU A 25 -8.762 -1.146 -2.882 1.00 0.00 N ATOM 42 CA GLU A 25 -8.050 -1.675 -4.023 1.00 0.00 C ATOM 43 C GLU A 25 -7.936 -0.603 -5.100 1.00 0.00 C ATOM 44 O GLU A 25 -6.852 -0.421 -5.624 1.00 0.00 O ATOM 45 CB GLU A 25 -8.633 -3.002 -4.517 1.00 0.00 C ATOM 46 CG GLU A 25 -9.763 -2.853 -5.534 1.00 0.00 C ATOM 47 CD GLU A 25 -10.304 -4.218 -5.937 1.00 0.00 C ATOM 48 OE1 GLU A 25 -10.574 -5.012 -5.011 1.00 0.00 O ATOM 49 OE2 GLU A 25 -10.419 -4.443 -7.160 1.00 0.00 O ATOM 0 H GLU A 25 -9.634 -1.623 -2.651 1.00 0.00 H new ATOM 0 HA GLU A 25 -7.036 -1.933 -3.718 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -7.833 -3.593 -4.964 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -9.003 -3.564 -3.660 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -10.565 -2.249 -5.109 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -9.399 -2.325 -6.416 1.00 0.00 H new ATOM 56 N ALA A 26 -9.010 0.139 -5.399 1.00 0.00 N ATOM 57 CA ALA A 26 -9.002 1.171 -6.430 1.00 0.00 C ATOM 58 C ALA A 26 -7.927 2.216 -6.155 1.00 0.00 C ATOM 59 O ALA A 26 -7.244 2.639 -7.086 1.00 0.00 O ATOM 60 CB ALA A 26 -10.365 1.847 -6.564 1.00 0.00 C ATOM 0 H ALA A 26 -9.909 0.036 -4.928 1.00 0.00 H new ATOM 0 HA ALA A 26 -8.775 0.674 -7.373 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -10.318 2.609 -7.342 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -11.116 1.103 -6.830 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -10.635 2.312 -5.616 1.00 0.00 H new ATOM 66 N VAL A 27 -7.759 2.618 -4.886 1.00 0.00 N ATOM 67 CA VAL A 27 -6.596 3.405 -4.490 1.00 0.00 C ATOM 68 C VAL A 27 -5.365 2.694 -5.013 1.00 0.00 C ATOM 69 O VAL A 27 -4.669 3.238 -5.862 1.00 0.00 O ATOM 70 CB VAL A 27 -6.499 3.631 -2.969 1.00 0.00 C ATOM 71 CG1 VAL A 27 -5.272 4.491 -2.624 1.00 0.00 C ATOM 72 CG2 VAL A 27 -7.752 4.316 -2.419 1.00 0.00 C ATOM 0 H VAL A 27 -8.410 2.411 -4.128 1.00 0.00 H new ATOM 0 HA VAL A 27 -6.687 4.403 -4.919 1.00 0.00 H new ATOM 0 HB VAL A 27 -6.403 2.648 -2.508 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -5.223 4.638 -1.545 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -4.367 3.987 -2.963 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -5.355 5.459 -3.119 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -7.646 4.458 -1.344 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -7.879 5.285 -2.903 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -8.624 3.694 -2.619 1.00 0.00 H new ATOM 82 N VAL A 28 -5.057 1.490 -4.537 1.00 0.00 N ATOM 83 CA VAL A 28 -3.722 0.991 -4.772 1.00 0.00 C ATOM 84 C VAL A 28 -3.474 0.700 -6.260 1.00 0.00 C ATOM 85 O VAL A 28 -2.439 1.091 -6.810 1.00 0.00 O ATOM 86 CB VAL A 28 -3.516 -0.143 -3.776 1.00 0.00 C ATOM 87 CG1 VAL A 28 -2.233 -0.933 -3.991 1.00 0.00 C ATOM 88 CG2 VAL A 28 -3.587 0.454 -2.358 1.00 0.00 C ATOM 0 H VAL A 28 -5.682 0.876 -4.014 1.00 0.00 H new ATOM 0 HA VAL A 28 -2.939 1.725 -4.582 1.00 0.00 H new ATOM 0 HB VAL A 28 -4.308 -0.877 -3.926 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -2.161 -1.721 -3.242 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.242 -1.378 -4.986 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -1.376 -0.266 -3.900 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -3.443 -0.337 -1.622 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -2.807 1.206 -2.240 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -4.562 0.917 -2.206 1.00 0.00 H new ATOM 98 N GLN A 29 -4.507 0.153 -6.904 1.00 0.00 N ATOM 99 CA GLN A 29 -4.720 -0.050 -8.332 1.00 0.00 C ATOM 100 C GLN A 29 -4.669 1.239 -9.168 1.00 0.00 C ATOM 101 O GLN A 29 -4.812 1.162 -10.385 1.00 0.00 O ATOM 102 CB GLN A 29 -6.050 -0.808 -8.529 1.00 0.00 C ATOM 103 CG GLN A 29 -5.979 -2.255 -8.016 1.00 0.00 C ATOM 104 CD GLN A 29 -4.966 -3.076 -8.808 1.00 0.00 C ATOM 105 OE1 GLN A 29 -4.934 -3.024 -10.032 1.00 0.00 O ATOM 106 NE2 GLN A 29 -4.097 -3.808 -8.118 1.00 0.00 N ATOM 0 H GLN A 29 -5.304 -0.197 -6.372 1.00 0.00 H new ATOM 0 HA GLN A 29 -3.887 -0.644 -8.708 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -6.848 -0.279 -8.008 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -6.309 -0.813 -9.588 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -5.705 -2.256 -6.961 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -6.963 -2.718 -8.090 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -4.147 -3.833 -7.100 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -3.381 -4.345 -8.607 1.00 0.00 H new ATOM 115 N GLN A 30 -4.434 2.410 -8.564 1.00 0.00 N ATOM 116 CA GLN A 30 -4.053 3.620 -9.291 1.00 0.00 C ATOM 117 C GLN A 30 -2.810 4.311 -8.709 1.00 0.00 C ATOM 118 O GLN A 30 -2.011 4.880 -9.448 1.00 0.00 O ATOM 119 CB GLN A 30 -5.241 4.593 -9.348 1.00 0.00 C ATOM 120 CG GLN A 30 -5.376 5.155 -10.770 1.00 0.00 C ATOM 121 CD GLN A 30 -6.309 6.358 -10.842 1.00 0.00 C ATOM 122 OE1 GLN A 30 -5.955 7.392 -11.399 1.00 0.00 O ATOM 123 NE2 GLN A 30 -7.505 6.249 -10.273 1.00 0.00 N ATOM 0 H GLN A 30 -4.504 2.542 -7.555 1.00 0.00 H new ATOM 0 HA GLN A 30 -3.782 3.313 -10.301 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -6.159 4.080 -9.060 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -5.093 5.406 -8.637 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -4.391 5.442 -11.138 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -5.747 4.372 -11.432 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -7.775 5.378 -9.816 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -8.153 7.036 -10.293 1.00 0.00 H new ATOM 132 N LYS A 31 -2.672 4.319 -7.383 1.00 0.00 N ATOM 133 CA LYS A 31 -1.775 5.180 -6.636 1.00 0.00 C ATOM 134 C LYS A 31 -0.422 4.491 -6.440 1.00 0.00 C ATOM 135 O LYS A 31 0.601 5.171 -6.373 1.00 0.00 O ATOM 136 CB LYS A 31 -2.442 5.544 -5.289 1.00 0.00 C ATOM 137 CG LYS A 31 -2.625 7.049 -5.051 1.00 0.00 C ATOM 138 CD LYS A 31 -3.960 7.549 -5.617 1.00 0.00 C ATOM 139 CE LYS A 31 -4.147 9.041 -5.297 1.00 0.00 C ATOM 140 NZ LYS A 31 -5.570 9.395 -5.124 1.00 0.00 N ATOM 0 H LYS A 31 -3.209 3.696 -6.780 1.00 0.00 H new ATOM 0 HA LYS A 31 -1.586 6.101 -7.187 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -3.418 5.061 -5.240 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -1.841 5.132 -4.478 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -2.581 7.257 -3.982 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -1.804 7.595 -5.516 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -3.986 7.395 -6.696 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -4.782 6.973 -5.192 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -3.599 9.288 -4.388 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -3.719 9.641 -6.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -5.713 10.393 -5.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -6.155 8.793 -5.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -5.846 9.249 -4.132 1.00 0.00 H new ATOM 154 N CYS A 32 -0.409 3.157 -6.320 1.00 0.00 N ATOM 155 CA CYS A 32 0.784 2.400 -5.953 1.00 0.00 C ATOM 156 C CYS A 32 1.299 1.571 -7.124 1.00 0.00 C ATOM 157 O CYS A 32 2.514 1.473 -7.321 1.00 0.00 O ATOM 158 CB CYS A 32 0.496 1.479 -4.768 1.00 0.00 C ATOM 159 SG CYS A 32 -0.734 2.145 -3.600 1.00 0.00 S ATOM 0 H CYS A 32 -1.232 2.575 -6.476 1.00 0.00 H new ATOM 0 HA CYS A 32 1.551 3.121 -5.672 1.00 0.00 H new ATOM 0 HB2 CYS A 32 0.143 0.518 -5.144 1.00 0.00 H new ATOM 0 HB3 CYS A 32 1.426 1.290 -4.233 1.00 0.00 H new ATOM 164 N ILE A 33 0.379 0.980 -7.904 1.00 0.00 N ATOM 165 CA ILE A 33 0.752 0.134 -9.034 1.00 0.00 C ATOM 166 C ILE A 33 1.745 0.837 -9.962 1.00 0.00 C ATOM 167 O ILE A 33 2.573 0.180 -10.587 1.00 0.00 O ATOM 168 CB ILE A 33 -0.474 -0.354 -9.819 1.00 0.00 C ATOM 169 CG1 ILE A 33 -1.335 0.798 -10.366 1.00 0.00 C ATOM 170 CG2 ILE A 33 -1.301 -1.334 -8.978 1.00 0.00 C ATOM 171 CD1 ILE A 33 -2.179 0.343 -11.561 1.00 0.00 C ATOM 0 H ILE A 33 -0.627 1.077 -7.767 1.00 0.00 H new ATOM 0 HA ILE A 33 1.245 -0.744 -8.616 1.00 0.00 H new ATOM 0 HB ILE A 33 -0.101 -0.885 -10.694 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -1.988 1.172 -9.578 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -0.692 1.625 -10.666 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -2.165 -1.668 -9.553 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -0.687 -2.195 -8.714 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -1.640 -0.837 -8.069 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -2.776 1.180 -11.924 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.523 -0.008 -12.358 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -2.840 -0.467 -11.252 1.00 0.00 H new ATOM 183 N SER A 34 1.673 2.173 -10.009 1.00 0.00 N ATOM 184 CA SER A 34 2.618 3.056 -10.673 1.00 0.00 C ATOM 185 C SER A 34 4.063 2.557 -10.527 1.00 0.00 C ATOM 186 O SER A 34 4.792 2.516 -11.517 1.00 0.00 O ATOM 187 CB SER A 34 2.438 4.475 -10.110 1.00 0.00 C ATOM 188 OG SER A 34 3.167 5.418 -10.868 1.00 0.00 O ATOM 0 H SER A 34 0.913 2.685 -9.560 1.00 0.00 H new ATOM 0 HA SER A 34 2.415 3.067 -11.744 1.00 0.00 H new ATOM 0 HB2 SER A 34 1.381 4.740 -10.114 1.00 0.00 H new ATOM 0 HB3 SER A 34 2.770 4.503 -9.072 1.00 0.00 H new ATOM 0 HG SER A 34 3.035 6.313 -10.491 1.00 0.00 H new ATOM 194 N CYS A 35 4.464 2.153 -9.311 1.00 0.00 N ATOM 195 CA CYS A 35 5.792 1.594 -9.059 1.00 0.00 C ATOM 196 C CYS A 35 5.695 0.104 -8.726 1.00 0.00 C ATOM 197 O CYS A 35 6.494 -0.689 -9.217 1.00 0.00 O ATOM 198 CB CYS A 35 6.539 2.383 -7.972 1.00 0.00 C ATOM 199 SG CYS A 35 6.303 4.171 -8.223 1.00 0.00 S ATOM 0 H CYS A 35 3.875 2.207 -8.480 1.00 0.00 H new ATOM 0 HA CYS A 35 6.380 1.689 -9.972 1.00 0.00 H new ATOM 0 HB2 CYS A 35 6.173 2.095 -6.986 1.00 0.00 H new ATOM 0 HB3 CYS A 35 7.601 2.141 -8.001 1.00 0.00 H new ATOM 204 N HIS A 36 4.729 -0.299 -7.897 1.00 0.00 N ATOM 205 CA HIS A 36 4.643 -1.678 -7.426 1.00 0.00 C ATOM 206 C HIS A 36 4.179 -2.669 -8.504 1.00 0.00 C ATOM 207 O HIS A 36 4.389 -3.873 -8.352 1.00 0.00 O ATOM 208 CB HIS A 36 3.797 -1.721 -6.151 1.00 0.00 C ATOM 209 CG HIS A 36 4.519 -1.134 -4.961 1.00 0.00 C ATOM 210 ND1 HIS A 36 5.479 -1.785 -4.216 1.00 0.00 N ATOM 211 CD2 HIS A 36 4.360 0.124 -4.430 1.00 0.00 C ATOM 212 CE1 HIS A 36 5.869 -0.939 -3.250 1.00 0.00 C ATOM 213 NE2 HIS A 36 5.222 0.236 -3.333 1.00 0.00 N ATOM 0 H HIS A 36 3.996 0.313 -7.539 1.00 0.00 H new ATOM 0 HA HIS A 36 5.649 -2.021 -7.184 1.00 0.00 H new ATOM 0 HB2 HIS A 36 2.869 -1.174 -6.315 1.00 0.00 H new ATOM 0 HB3 HIS A 36 3.524 -2.754 -5.934 1.00 0.00 H new ATOM 0 HD1 HIS A 36 5.827 -2.731 -4.370 1.00 0.00 H new ATOM 0 HD2 HIS A 36 3.690 0.889 -4.794 1.00 0.00 H new ATOM 0 HE1 HIS A 36 6.610 -1.173 -2.500 1.00 0.00 H new ATOM 221 N GLY A 37 3.611 -2.189 -9.615 1.00 0.00 N ATOM 222 CA GLY A 37 3.111 -3.023 -10.698 1.00 0.00 C ATOM 223 C GLY A 37 1.665 -3.434 -10.430 1.00 0.00 C ATOM 224 O GLY A 37 1.252 -3.498 -9.278 1.00 0.00 O ATOM 0 H GLY A 37 3.486 -1.191 -9.784 1.00 0.00 H new ATOM 0 HA2 GLY A 37 3.173 -2.480 -11.641 1.00 0.00 H new ATOM 0 HA3 GLY A 37 3.735 -3.911 -10.800 1.00 0.00 H new ATOM 228 N GLY A 38 0.896 -3.703 -11.493 1.00 0.00 N ATOM 229 CA GLY A 38 -0.539 -3.984 -11.445 1.00 0.00 C ATOM 230 C GLY A 38 -0.944 -4.919 -10.303 1.00 0.00 C ATOM 231 O GLY A 38 -1.769 -4.565 -9.462 1.00 0.00 O ATOM 0 H GLY A 38 1.272 -3.731 -12.441 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -1.081 -3.044 -11.343 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -0.845 -4.428 -12.392 1.00 0.00 H new ATOM 235 N ASP A 39 -0.348 -6.112 -10.263 1.00 0.00 N ATOM 236 CA ASP A 39 -0.682 -7.133 -9.274 1.00 0.00 C ATOM 237 C ASP A 39 0.001 -6.876 -7.922 1.00 0.00 C ATOM 238 O ASP A 39 -0.171 -7.661 -6.991 1.00 0.00 O ATOM 239 CB ASP A 39 -0.288 -8.516 -9.811 1.00 0.00 C ATOM 240 CG ASP A 39 -0.975 -8.875 -11.120 1.00 0.00 C ATOM 241 OD1 ASP A 39 -2.205 -8.669 -11.200 1.00 0.00 O ATOM 242 OD2 ASP A 39 -0.245 -9.341 -12.019 1.00 0.00 O ATOM 0 H ASP A 39 0.381 -6.396 -10.918 1.00 0.00 H new ATOM 0 HA ASP A 39 -1.758 -7.093 -9.104 1.00 0.00 H new ATOM 0 HB2 ASP A 39 0.792 -8.547 -9.956 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -0.531 -9.271 -9.063 1.00 0.00 H new ATOM 247 N LEU A 40 0.799 -5.806 -7.817 1.00 0.00 N ATOM 248 CA LEU A 40 1.550 -5.404 -6.629 1.00 0.00 C ATOM 249 C LEU A 40 2.641 -6.425 -6.296 1.00 0.00 C ATOM 250 O LEU A 40 3.131 -6.501 -5.166 1.00 0.00 O ATOM 251 CB LEU A 40 0.594 -5.089 -5.473 1.00 0.00 C ATOM 252 CG LEU A 40 -0.399 -3.998 -5.917 1.00 0.00 C ATOM 253 CD1 LEU A 40 -1.822 -4.341 -5.475 1.00 0.00 C ATOM 254 CD2 LEU A 40 0.050 -2.636 -5.394 1.00 0.00 C ATOM 0 H LEU A 40 0.943 -5.168 -8.599 1.00 0.00 H new ATOM 0 HA LEU A 40 2.085 -4.476 -6.829 1.00 0.00 H new ATOM 0 HB2 LEU A 40 0.055 -5.989 -5.176 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.156 -4.752 -4.602 1.00 0.00 H new ATOM 0 HG LEU A 40 -0.409 -3.950 -7.006 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.504 -3.555 -5.801 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.123 -5.289 -5.920 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -1.856 -4.423 -4.389 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.659 -1.872 -5.713 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.091 -2.660 -4.305 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.038 -2.402 -5.790 1.00 0.00 H new ATOM 266 N THR A 41 3.044 -7.165 -7.332 1.00 0.00 N ATOM 267 CA THR A 41 4.053 -8.200 -7.356 1.00 0.00 C ATOM 268 C THR A 41 5.464 -7.609 -7.423 1.00 0.00 C ATOM 269 O THR A 41 6.430 -8.354 -7.288 1.00 0.00 O ATOM 270 CB THR A 41 3.753 -9.065 -8.588 1.00 0.00 C ATOM 271 OG1 THR A 41 3.348 -8.210 -9.647 1.00 0.00 O ATOM 272 CG2 THR A 41 2.609 -10.038 -8.286 1.00 0.00 C ATOM 0 H THR A 41 2.628 -7.034 -8.254 1.00 0.00 H new ATOM 0 HA THR A 41 4.022 -8.793 -6.442 1.00 0.00 H new ATOM 0 HB THR A 41 4.645 -9.630 -8.859 1.00 0.00 H new ATOM 0 HG1 THR A 41 3.154 -8.746 -10.444 1.00 0.00 H new ATOM 0 HG21 THR A 41 2.406 -10.646 -9.168 1.00 0.00 H new ATOM 0 HG22 THR A 41 2.892 -10.686 -7.456 1.00 0.00 H new ATOM 0 HG23 THR A 41 1.714 -9.476 -8.019 1.00 0.00 H new ATOM 280 N GLY A 42 5.594 -6.289 -7.592 1.00 0.00 N ATOM 281 CA GLY A 42 6.845 -5.585 -7.391 1.00 0.00 C ATOM 282 C GLY A 42 7.575 -5.335 -8.705 1.00 0.00 C ATOM 283 O GLY A 42 8.527 -6.039 -9.032 1.00 0.00 O ATOM 0 H GLY A 42 4.823 -5.683 -7.874 1.00 0.00 H new ATOM 0 HA2 GLY A 42 6.650 -4.633 -6.897 1.00 0.00 H new ATOM 0 HA3 GLY A 42 7.485 -6.164 -6.725 1.00 0.00 H new ATOM 287 N ALA A 43 7.129 -4.327 -9.462 1.00 0.00 N ATOM 288 CA ALA A 43 7.767 -3.943 -10.717 1.00 0.00 C ATOM 289 C ALA A 43 9.010 -3.073 -10.470 1.00 0.00 C ATOM 290 O ALA A 43 10.135 -3.554 -10.558 1.00 0.00 O ATOM 291 CB ALA A 43 6.739 -3.263 -11.630 1.00 0.00 C ATOM 0 H ALA A 43 6.318 -3.758 -9.219 1.00 0.00 H new ATOM 0 HA ALA A 43 8.125 -4.837 -11.227 1.00 0.00 H new ATOM 0 HB1 ALA A 43 7.217 -2.977 -12.567 1.00 0.00 H new ATOM 0 HB2 ALA A 43 5.922 -3.954 -11.836 1.00 0.00 H new ATOM 0 HB3 ALA A 43 6.346 -2.374 -11.137 1.00 0.00 H new ATOM 297 N SER A 44 8.807 -1.786 -10.177 1.00 0.00 N ATOM 298 CA SER A 44 9.850 -0.795 -9.904 1.00 0.00 C ATOM 299 C SER A 44 10.068 -0.603 -8.396 1.00 0.00 C ATOM 300 O SER A 44 10.822 0.282 -7.993 1.00 0.00 O ATOM 301 CB SER A 44 9.475 0.541 -10.557 1.00 0.00 C ATOM 302 OG SER A 44 10.556 1.448 -10.471 1.00 0.00 O ATOM 0 H SER A 44 7.869 -1.389 -10.121 1.00 0.00 H new ATOM 0 HA SER A 44 10.785 -1.161 -10.328 1.00 0.00 H new ATOM 0 HB2 SER A 44 9.208 0.381 -11.601 1.00 0.00 H new ATOM 0 HB3 SER A 44 8.598 0.961 -10.064 1.00 0.00 H new ATOM 0 HG SER A 44 11.036 1.305 -9.629 1.00 0.00 H new ATOM 308 N ALA A 45 9.347 -1.364 -7.575 1.00 0.00 N ATOM 309 CA ALA A 45 9.332 -1.332 -6.123 1.00 0.00 C ATOM 310 C ALA A 45 9.152 -2.795 -5.708 1.00 0.00 C ATOM 311 O ALA A 45 8.762 -3.594 -6.560 1.00 0.00 O ATOM 312 CB ALA A 45 8.158 -0.448 -5.701 1.00 0.00 C ATOM 0 H ALA A 45 8.711 -2.072 -7.941 1.00 0.00 H new ATOM 0 HA ALA A 45 10.229 -0.923 -5.659 1.00 0.00 H new ATOM 0 HB1 ALA A 45 8.113 -0.398 -4.613 1.00 0.00 H new ATOM 0 HB2 ALA A 45 8.295 0.555 -6.105 1.00 0.00 H new ATOM 0 HB3 ALA A 45 7.229 -0.870 -6.084 1.00 0.00 H new ATOM 318 N PRO A 46 9.446 -3.191 -4.462 1.00 0.00 N ATOM 319 CA PRO A 46 9.299 -4.576 -4.044 1.00 0.00 C ATOM 320 C PRO A 46 7.835 -5.021 -4.096 1.00 0.00 C ATOM 321 O PRO A 46 6.914 -4.204 -4.191 1.00 0.00 O ATOM 322 CB PRO A 46 9.872 -4.646 -2.625 1.00 0.00 C ATOM 323 CG PRO A 46 9.714 -3.215 -2.116 1.00 0.00 C ATOM 324 CD PRO A 46 9.957 -2.381 -3.374 1.00 0.00 C ATOM 0 HA PRO A 46 9.830 -5.255 -4.711 1.00 0.00 H new ATOM 0 HB2 PRO A 46 9.326 -5.357 -2.005 1.00 0.00 H new ATOM 0 HB3 PRO A 46 10.916 -4.960 -2.627 1.00 0.00 H new ATOM 0 HG2 PRO A 46 8.722 -3.041 -1.700 1.00 0.00 H new ATOM 0 HG3 PRO A 46 10.434 -2.983 -1.331 1.00 0.00 H new ATOM 0 HD2 PRO A 46 9.441 -1.423 -3.319 1.00 0.00 H new ATOM 0 HD3 PRO A 46 11.017 -2.165 -3.506 1.00 0.00 H new ATOM 332 N ALA A 47 7.635 -6.341 -4.031 1.00 0.00 N ATOM 333 CA ALA A 47 6.316 -6.946 -3.983 1.00 0.00 C ATOM 334 C ALA A 47 5.640 -6.535 -2.683 1.00 0.00 C ATOM 335 O ALA A 47 6.144 -6.873 -1.613 1.00 0.00 O ATOM 336 CB ALA A 47 6.444 -8.472 -4.052 1.00 0.00 C ATOM 0 H ALA A 47 8.397 -7.019 -4.010 1.00 0.00 H new ATOM 0 HA ALA A 47 5.718 -6.609 -4.830 1.00 0.00 H new ATOM 0 HB1 ALA A 47 5.452 -8.922 -4.016 1.00 0.00 H new ATOM 0 HB2 ALA A 47 6.937 -8.754 -4.982 1.00 0.00 H new ATOM 0 HB3 ALA A 47 7.034 -8.826 -3.207 1.00 0.00 H new ATOM 342 N ILE A 48 4.514 -5.822 -2.765 1.00 0.00 N ATOM 343 CA ILE A 48 3.742 -5.464 -1.582 1.00 0.00 C ATOM 344 C ILE A 48 2.374 -6.142 -1.570 1.00 0.00 C ATOM 345 O ILE A 48 1.659 -6.015 -0.582 1.00 0.00 O ATOM 346 CB ILE A 48 3.761 -3.946 -1.283 1.00 0.00 C ATOM 347 CG1 ILE A 48 3.049 -3.035 -2.291 1.00 0.00 C ATOM 348 CG2 ILE A 48 5.217 -3.489 -1.127 1.00 0.00 C ATOM 349 CD1 ILE A 48 1.540 -2.967 -2.053 1.00 0.00 C ATOM 0 H ILE A 48 4.119 -5.483 -3.642 1.00 0.00 H new ATOM 0 HA ILE A 48 4.247 -5.880 -0.710 1.00 0.00 H new ATOM 0 HB ILE A 48 3.182 -3.837 -0.366 1.00 0.00 H new ATOM 0 HG12 ILE A 48 3.469 -2.031 -2.229 1.00 0.00 H new ATOM 0 HG13 ILE A 48 3.238 -3.398 -3.301 1.00 0.00 H new ATOM 0 HG21 ILE A 48 5.242 -2.420 -0.916 1.00 0.00 H new ATOM 0 HG22 ILE A 48 5.683 -4.032 -0.305 1.00 0.00 H new ATOM 0 HG23 ILE A 48 5.762 -3.690 -2.049 1.00 0.00 H new ATOM 0 HD11 ILE A 48 1.084 -2.309 -2.793 1.00 0.00 H new ATOM 0 HD12 ILE A 48 1.112 -3.966 -2.142 1.00 0.00 H new ATOM 0 HD13 ILE A 48 1.346 -2.578 -1.054 1.00 0.00 H new ATOM 361 N ASP A 49 2.027 -6.958 -2.577 1.00 0.00 N ATOM 362 CA ASP A 49 0.815 -7.776 -2.513 1.00 0.00 C ATOM 363 C ASP A 49 0.749 -8.609 -1.223 1.00 0.00 C ATOM 364 O ASP A 49 -0.327 -8.815 -0.673 1.00 0.00 O ATOM 365 CB ASP A 49 0.639 -8.657 -3.769 1.00 0.00 C ATOM 366 CG ASP A 49 1.011 -10.126 -3.564 1.00 0.00 C ATOM 367 OD1 ASP A 49 2.214 -10.415 -3.443 1.00 0.00 O ATOM 368 OD2 ASP A 49 0.083 -10.974 -3.517 1.00 0.00 O ATOM 0 H ASP A 49 2.566 -7.066 -3.436 1.00 0.00 H new ATOM 0 HA ASP A 49 -0.026 -7.083 -2.491 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -0.399 -8.599 -4.096 1.00 0.00 H new ATOM 0 HB3 ASP A 49 1.250 -8.248 -4.574 1.00 0.00 H new ATOM 373 N LYS A 50 1.906 -9.076 -0.745 1.00 0.00 N ATOM 374 CA LYS A 50 2.047 -9.873 0.468 1.00 0.00 C ATOM 375 C LYS A 50 2.447 -9.021 1.667 1.00 0.00 C ATOM 376 O LYS A 50 2.722 -9.566 2.737 1.00 0.00 O ATOM 377 CB LYS A 50 3.011 -11.053 0.254 1.00 0.00 C ATOM 378 CG LYS A 50 2.281 -12.390 0.454 1.00 0.00 C ATOM 379 CD LYS A 50 1.338 -12.719 -0.710 1.00 0.00 C ATOM 380 CE LYS A 50 2.130 -13.181 -1.941 1.00 0.00 C ATOM 381 NZ LYS A 50 1.235 -13.407 -3.088 1.00 0.00 N ATOM 0 H LYS A 50 2.797 -8.902 -1.210 1.00 0.00 H new ATOM 0 HA LYS A 50 1.067 -10.292 0.696 1.00 0.00 H new ATOM 0 HB2 LYS A 50 3.431 -11.009 -0.751 1.00 0.00 H new ATOM 0 HB3 LYS A 50 3.845 -10.980 0.952 1.00 0.00 H new ATOM 0 HG2 LYS A 50 3.014 -13.189 0.561 1.00 0.00 H new ATOM 0 HG3 LYS A 50 1.710 -12.354 1.382 1.00 0.00 H new ATOM 0 HD2 LYS A 50 0.639 -13.499 -0.408 1.00 0.00 H new ATOM 0 HD3 LYS A 50 0.745 -11.840 -0.963 1.00 0.00 H new ATOM 0 HE2 LYS A 50 2.877 -12.431 -2.200 1.00 0.00 H new ATOM 0 HE3 LYS A 50 2.668 -14.100 -1.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 1.798 -13.468 -3.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 0.712 -14.295 -2.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 0.562 -12.617 -3.164 1.00 0.00 H new ATOM 395 N ALA A 51 2.530 -7.697 1.514 1.00 0.00 N ATOM 396 CA ALA A 51 2.900 -6.841 2.625 1.00 0.00 C ATOM 397 C ALA A 51 2.007 -7.105 3.830 1.00 0.00 C ATOM 398 O ALA A 51 2.517 -7.084 4.936 1.00 0.00 O ATOM 399 CB ALA A 51 2.895 -5.368 2.235 1.00 0.00 C ATOM 0 H ALA A 51 2.347 -7.206 0.639 1.00 0.00 H new ATOM 0 HA ALA A 51 3.924 -7.087 2.905 1.00 0.00 H new ATOM 0 HB1 ALA A 51 3.178 -4.763 3.096 1.00 0.00 H new ATOM 0 HB2 ALA A 51 3.607 -5.203 1.426 1.00 0.00 H new ATOM 0 HB3 ALA A 51 1.897 -5.083 1.903 1.00 0.00 H new ATOM 405 N GLY A 52 0.718 -7.417 3.646 1.00 0.00 N ATOM 406 CA GLY A 52 -0.126 -7.828 4.756 1.00 0.00 C ATOM 407 C GLY A 52 0.375 -9.064 5.513 1.00 0.00 C ATOM 408 O GLY A 52 0.114 -9.204 6.705 1.00 0.00 O ATOM 0 H GLY A 52 0.246 -7.391 2.742 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -0.212 -6.998 5.457 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -1.128 -8.031 4.378 1.00 0.00 H new ATOM 412 N ALA A 53 1.035 -10.004 4.830 1.00 0.00 N ATOM 413 CA ALA A 53 1.657 -11.148 5.489 1.00 0.00 C ATOM 414 C ALA A 53 2.922 -10.694 6.214 1.00 0.00 C ATOM 415 O ALA A 53 3.169 -11.091 7.350 1.00 0.00 O ATOM 416 CB ALA A 53 2.003 -12.248 4.477 1.00 0.00 C ATOM 0 H ALA A 53 1.151 -9.992 3.817 1.00 0.00 H new ATOM 0 HA ALA A 53 0.948 -11.559 6.208 1.00 0.00 H new ATOM 0 HB1 ALA A 53 2.465 -13.088 4.996 1.00 0.00 H new ATOM 0 HB2 ALA A 53 1.093 -12.585 3.980 1.00 0.00 H new ATOM 0 HB3 ALA A 53 2.697 -11.854 3.735 1.00 0.00 H new ATOM 422 N ASN A 54 3.740 -9.889 5.532 1.00 0.00 N ATOM 423 CA ASN A 54 5.072 -9.535 6.019 1.00 0.00 C ATOM 424 C ASN A 54 5.002 -8.537 7.174 1.00 0.00 C ATOM 425 O ASN A 54 5.814 -8.600 8.094 1.00 0.00 O ATOM 426 CB ASN A 54 5.910 -8.934 4.882 1.00 0.00 C ATOM 427 CG ASN A 54 6.173 -9.907 3.734 1.00 0.00 C ATOM 428 OD1 ASN A 54 6.066 -11.120 3.885 1.00 0.00 O ATOM 429 ND2 ASN A 54 6.525 -9.384 2.563 1.00 0.00 N ATOM 0 H ASN A 54 3.499 -9.468 4.635 1.00 0.00 H new ATOM 0 HA ASN A 54 5.541 -10.450 6.382 1.00 0.00 H new ATOM 0 HB2 ASN A 54 5.399 -8.054 4.491 1.00 0.00 H new ATOM 0 HB3 ASN A 54 6.864 -8.595 5.285 1.00 0.00 H new ATOM 0 HD21 ASN A 54 6.712 -9.994 1.767 1.00 0.00 H new ATOM 0 HD22 ASN A 54 6.608 -8.373 2.460 1.00 0.00 H new ATOM 436 N TYR A 55 4.067 -7.591 7.091 1.00 0.00 N ATOM 437 CA TYR A 55 3.912 -6.434 7.959 1.00 0.00 C ATOM 438 C TYR A 55 2.425 -6.277 8.287 1.00 0.00 C ATOM 439 O TYR A 55 1.573 -6.799 7.572 1.00 0.00 O ATOM 440 CB TYR A 55 4.411 -5.170 7.239 1.00 0.00 C ATOM 441 CG TYR A 55 5.830 -5.197 6.695 1.00 0.00 C ATOM 442 CD1 TYR A 55 6.881 -5.729 7.466 1.00 0.00 C ATOM 443 CD2 TYR A 55 6.117 -4.577 5.464 1.00 0.00 C ATOM 444 CE1 TYR A 55 8.196 -5.719 6.969 1.00 0.00 C ATOM 445 CE2 TYR A 55 7.438 -4.537 4.984 1.00 0.00 C ATOM 446 CZ TYR A 55 8.475 -5.113 5.734 1.00 0.00 C ATOM 447 OH TYR A 55 9.753 -5.079 5.263 1.00 0.00 O ATOM 0 H TYR A 55 3.351 -7.619 6.365 1.00 0.00 H new ATOM 0 HA TYR A 55 4.492 -6.573 8.872 1.00 0.00 H new ATOM 0 HB2 TYR A 55 3.735 -4.964 6.409 1.00 0.00 H new ATOM 0 HB3 TYR A 55 4.330 -4.332 7.932 1.00 0.00 H new ATOM 0 HD1 TYR A 55 6.677 -6.146 8.441 1.00 0.00 H new ATOM 0 HD2 TYR A 55 5.320 -4.131 4.887 1.00 0.00 H new ATOM 0 HE1 TYR A 55 8.992 -6.178 7.537 1.00 0.00 H new ATOM 0 HE2 TYR A 55 7.655 -4.063 4.038 1.00 0.00 H new ATOM 0 HH TYR A 55 9.770 -4.624 4.395 1.00 0.00 H new ATOM 457 N SER A 56 2.108 -5.551 9.357 1.00 0.00 N ATOM 458 CA SER A 56 0.731 -5.371 9.799 1.00 0.00 C ATOM 459 C SER A 56 0.151 -4.067 9.242 1.00 0.00 C ATOM 460 O SER A 56 0.876 -3.253 8.662 1.00 0.00 O ATOM 461 CB SER A 56 0.687 -5.439 11.326 1.00 0.00 C ATOM 462 OG SER A 56 1.273 -6.646 11.774 1.00 0.00 O ATOM 0 H SER A 56 2.797 -5.074 9.938 1.00 0.00 H new ATOM 0 HA SER A 56 0.101 -6.171 9.410 1.00 0.00 H new ATOM 0 HB2 SER A 56 1.218 -4.588 11.752 1.00 0.00 H new ATOM 0 HB3 SER A 56 -0.345 -5.376 11.671 1.00 0.00 H new ATOM 0 HG SER A 56 1.242 -6.681 12.753 1.00 0.00 H new ATOM 468 N GLU A 57 -1.167 -3.879 9.381 1.00 0.00 N ATOM 469 CA GLU A 57 -1.856 -2.741 8.793 1.00 0.00 C ATOM 470 C GLU A 57 -1.232 -1.432 9.292 1.00 0.00 C ATOM 471 O GLU A 57 -0.986 -0.538 8.489 1.00 0.00 O ATOM 472 CB GLU A 57 -3.384 -2.875 8.957 1.00 0.00 C ATOM 473 CG GLU A 57 -3.947 -2.495 10.333 1.00 0.00 C ATOM 474 CD GLU A 57 -4.347 -1.023 10.388 1.00 0.00 C ATOM 475 OE1 GLU A 57 -5.231 -0.658 9.582 1.00 0.00 O ATOM 476 OE2 GLU A 57 -3.765 -0.294 11.217 1.00 0.00 O ATOM 0 H GLU A 57 -1.776 -4.511 9.902 1.00 0.00 H new ATOM 0 HA GLU A 57 -1.714 -2.721 7.712 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -3.867 -2.252 8.204 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -3.664 -3.907 8.744 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -4.814 -3.117 10.557 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -3.201 -2.699 11.101 1.00 0.00 H new ATOM 483 N GLU A 58 -0.873 -1.359 10.575 1.00 0.00 N ATOM 484 CA GLU A 58 -0.213 -0.219 11.185 1.00 0.00 C ATOM 485 C GLU A 58 1.053 0.185 10.415 1.00 0.00 C ATOM 486 O GLU A 58 1.199 1.335 10.006 1.00 0.00 O ATOM 487 CB GLU A 58 0.031 -0.481 12.688 1.00 0.00 C ATOM 488 CG GLU A 58 0.764 -1.778 13.096 1.00 0.00 C ATOM 489 CD GLU A 58 -0.137 -2.992 13.317 1.00 0.00 C ATOM 490 OE1 GLU A 58 -0.992 -3.246 12.442 1.00 0.00 O ATOM 491 OE2 GLU A 58 0.100 -3.705 14.314 1.00 0.00 O ATOM 0 H GLU A 58 -1.042 -2.120 11.233 1.00 0.00 H new ATOM 0 HA GLU A 58 -0.873 0.646 11.121 1.00 0.00 H new ATOM 0 HB2 GLU A 58 0.599 0.361 13.084 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -0.938 -0.475 13.188 1.00 0.00 H new ATOM 0 HG2 GLU A 58 1.493 -2.023 12.324 1.00 0.00 H new ATOM 0 HG3 GLU A 58 1.322 -1.588 14.013 1.00 0.00 H new ATOM 498 N GLU A 59 1.959 -0.769 10.184 1.00 0.00 N ATOM 499 CA GLU A 59 3.216 -0.551 9.480 1.00 0.00 C ATOM 500 C GLU A 59 2.931 0.018 8.089 1.00 0.00 C ATOM 501 O GLU A 59 3.507 1.020 7.664 1.00 0.00 O ATOM 502 CB GLU A 59 3.949 -1.897 9.356 1.00 0.00 C ATOM 503 CG GLU A 59 4.452 -2.448 10.699 1.00 0.00 C ATOM 504 CD GLU A 59 5.863 -1.974 11.035 1.00 0.00 C ATOM 505 OE1 GLU A 59 6.179 -0.816 10.691 1.00 0.00 O ATOM 506 OE2 GLU A 59 6.608 -2.795 11.613 1.00 0.00 O ATOM 0 H GLU A 59 1.832 -1.734 10.490 1.00 0.00 H new ATOM 0 HA GLU A 59 3.836 0.157 10.030 1.00 0.00 H new ATOM 0 HB2 GLU A 59 3.278 -2.626 8.902 1.00 0.00 H new ATOM 0 HB3 GLU A 59 4.796 -1.779 8.681 1.00 0.00 H new ATOM 0 HG2 GLU A 59 3.771 -2.140 11.492 1.00 0.00 H new ATOM 0 HG3 GLU A 59 4.436 -3.537 10.670 1.00 0.00 H new ATOM 513 N ILE A 60 2.025 -0.648 7.373 1.00 0.00 N ATOM 514 CA ILE A 60 1.682 -0.307 6.002 1.00 0.00 C ATOM 515 C ILE A 60 1.120 1.116 5.974 1.00 0.00 C ATOM 516 O ILE A 60 1.593 1.960 5.214 1.00 0.00 O ATOM 517 CB ILE A 60 0.702 -1.356 5.443 1.00 0.00 C ATOM 518 CG1 ILE A 60 1.384 -2.729 5.321 1.00 0.00 C ATOM 519 CG2 ILE A 60 0.165 -0.923 4.075 1.00 0.00 C ATOM 520 CD1 ILE A 60 0.381 -3.887 5.330 1.00 0.00 C ATOM 0 H ILE A 60 1.506 -1.447 7.737 1.00 0.00 H new ATOM 0 HA ILE A 60 2.561 -0.324 5.358 1.00 0.00 H new ATOM 0 HB ILE A 60 -0.132 -1.437 6.140 1.00 0.00 H new ATOM 0 HG12 ILE A 60 1.964 -2.762 4.398 1.00 0.00 H new ATOM 0 HG13 ILE A 60 2.087 -2.856 6.144 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -0.525 -1.679 3.699 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -0.357 0.029 4.174 1.00 0.00 H new ATOM 0 HG23 ILE A 60 0.995 -0.811 3.377 1.00 0.00 H new ATOM 0 HD11 ILE A 60 0.916 -4.832 5.241 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -0.181 -3.874 6.264 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -0.307 -3.779 4.491 1.00 0.00 H new ATOM 532 N LEU A 61 0.129 1.379 6.827 1.00 0.00 N ATOM 533 CA LEU A 61 -0.500 2.676 7.002 1.00 0.00 C ATOM 534 C LEU A 61 0.562 3.745 7.180 1.00 0.00 C ATOM 535 O LEU A 61 0.589 4.733 6.442 1.00 0.00 O ATOM 536 CB LEU A 61 -1.418 2.640 8.234 1.00 0.00 C ATOM 537 CG LEU A 61 -2.317 3.877 8.373 1.00 0.00 C ATOM 538 CD1 LEU A 61 -3.387 3.929 7.281 1.00 0.00 C ATOM 539 CD2 LEU A 61 -3.014 3.856 9.736 1.00 0.00 C ATOM 0 H LEU A 61 -0.268 0.663 7.435 1.00 0.00 H new ATOM 0 HA LEU A 61 -1.093 2.911 6.118 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -2.046 1.750 8.182 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -0.805 2.546 9.130 1.00 0.00 H new ATOM 0 HG LEU A 61 -1.680 4.756 8.277 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -4.001 4.819 7.416 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.907 3.964 6.303 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -4.016 3.041 7.345 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -3.651 4.735 9.832 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -3.622 2.956 9.820 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -2.265 3.863 10.528 1.00 0.00 H new ATOM 551 N ASP A 62 1.442 3.537 8.163 1.00 0.00 N ATOM 552 CA ASP A 62 2.438 4.544 8.473 1.00 0.00 C ATOM 553 C ASP A 62 3.329 4.741 7.251 1.00 0.00 C ATOM 554 O ASP A 62 3.562 5.875 6.846 1.00 0.00 O ATOM 555 CB ASP A 62 3.219 4.216 9.756 1.00 0.00 C ATOM 556 CG ASP A 62 3.235 5.417 10.697 1.00 0.00 C ATOM 557 OD1 ASP A 62 2.191 5.644 11.343 1.00 0.00 O ATOM 558 OD2 ASP A 62 4.263 6.127 10.723 1.00 0.00 O ATOM 0 H ASP A 62 1.480 2.698 8.741 1.00 0.00 H new ATOM 0 HA ASP A 62 1.945 5.491 8.693 1.00 0.00 H new ATOM 0 HB2 ASP A 62 2.764 3.361 10.256 1.00 0.00 H new ATOM 0 HB3 ASP A 62 4.240 3.931 9.504 1.00 0.00 H new ATOM 563 N ILE A 63 3.760 3.661 6.595 1.00 0.00 N ATOM 564 CA ILE A 63 4.608 3.765 5.408 1.00 0.00 C ATOM 565 C ILE A 63 3.909 4.570 4.310 1.00 0.00 C ATOM 566 O ILE A 63 4.546 5.392 3.659 1.00 0.00 O ATOM 567 CB ILE A 63 5.069 2.365 4.937 1.00 0.00 C ATOM 568 CG1 ILE A 63 6.423 2.042 5.596 1.00 0.00 C ATOM 569 CG2 ILE A 63 5.172 2.244 3.409 1.00 0.00 C ATOM 570 CD1 ILE A 63 6.819 0.568 5.479 1.00 0.00 C ATOM 0 H ILE A 63 3.535 2.704 6.867 1.00 0.00 H new ATOM 0 HA ILE A 63 5.513 4.316 5.665 1.00 0.00 H new ATOM 0 HB ILE A 63 4.311 1.644 5.244 1.00 0.00 H new ATOM 0 HG12 ILE A 63 7.198 2.656 5.137 1.00 0.00 H new ATOM 0 HG13 ILE A 63 6.381 2.317 6.650 1.00 0.00 H new ATOM 0 HG21 ILE A 63 5.500 1.239 3.145 1.00 0.00 H new ATOM 0 HG22 ILE A 63 4.197 2.437 2.962 1.00 0.00 H new ATOM 0 HG23 ILE A 63 5.893 2.971 3.034 1.00 0.00 H new ATOM 0 HD11 ILE A 63 7.782 0.410 5.964 1.00 0.00 H new ATOM 0 HD12 ILE A 63 6.064 -0.051 5.963 1.00 0.00 H new ATOM 0 HD13 ILE A 63 6.893 0.294 4.427 1.00 0.00 H new ATOM 582 N ILE A 64 2.615 4.357 4.088 1.00 0.00 N ATOM 583 CA ILE A 64 1.864 5.100 3.081 1.00 0.00 C ATOM 584 C ILE A 64 1.828 6.582 3.447 1.00 0.00 C ATOM 585 O ILE A 64 2.107 7.452 2.619 1.00 0.00 O ATOM 586 CB ILE A 64 0.453 4.508 2.970 1.00 0.00 C ATOM 587 CG1 ILE A 64 0.549 3.085 2.407 1.00 0.00 C ATOM 588 CG2 ILE A 64 -0.457 5.366 2.081 1.00 0.00 C ATOM 589 CD1 ILE A 64 -0.669 2.275 2.839 1.00 0.00 C ATOM 0 H ILE A 64 2.060 3.669 4.598 1.00 0.00 H new ATOM 0 HA ILE A 64 2.350 5.014 2.109 1.00 0.00 H new ATOM 0 HB ILE A 64 0.010 4.489 3.966 1.00 0.00 H new ATOM 0 HG12 ILE A 64 0.608 3.118 1.319 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.461 2.605 2.761 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -1.447 4.912 2.028 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -0.539 6.368 2.503 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -0.033 5.428 1.079 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -0.596 1.265 2.436 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -0.709 2.230 3.927 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -1.575 2.751 2.463 1.00 0.00 H new ATOM 601 N LEU A 65 1.456 6.876 4.692 1.00 0.00 N ATOM 602 CA LEU A 65 1.319 8.242 5.166 1.00 0.00 C ATOM 603 C LEU A 65 2.673 8.975 5.174 1.00 0.00 C ATOM 604 O LEU A 65 2.723 10.163 4.858 1.00 0.00 O ATOM 605 CB LEU A 65 0.685 8.220 6.561 1.00 0.00 C ATOM 606 CG LEU A 65 -0.777 7.725 6.622 1.00 0.00 C ATOM 607 CD1 LEU A 65 -1.134 7.474 8.092 1.00 0.00 C ATOM 608 CD2 LEU A 65 -1.736 8.767 6.056 1.00 0.00 C ATOM 0 H LEU A 65 1.242 6.170 5.396 1.00 0.00 H new ATOM 0 HA LEU A 65 0.672 8.795 4.485 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.292 7.585 7.206 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.726 9.227 6.975 1.00 0.00 H new ATOM 0 HG LEU A 65 -0.869 6.815 6.029 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.164 7.123 8.162 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -0.465 6.719 8.505 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -1.028 8.401 8.656 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.757 8.390 6.112 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -1.656 9.687 6.635 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.481 8.969 5.016 1.00 0.00 H new ATOM 620 N ASN A 66 3.753 8.276 5.544 1.00 0.00 N ATOM 621 CA ASN A 66 5.101 8.815 5.749 1.00 0.00 C ATOM 622 C ASN A 66 5.913 8.785 4.459 1.00 0.00 C ATOM 623 O ASN A 66 6.407 9.813 4.002 1.00 0.00 O ATOM 624 CB ASN A 66 5.875 7.973 6.778 1.00 0.00 C ATOM 625 CG ASN A 66 5.517 8.275 8.227 1.00 0.00 C ATOM 626 OD1 ASN A 66 6.268 8.938 8.935 1.00 0.00 O ATOM 627 ND2 ASN A 66 4.390 7.746 8.676 1.00 0.00 N ATOM 0 H ASN A 66 3.707 7.272 5.716 1.00 0.00 H new ATOM 0 HA ASN A 66 4.973 9.840 6.097 1.00 0.00 H new ATOM 0 HB2 ASN A 66 5.688 6.917 6.582 1.00 0.00 H new ATOM 0 HB3 ASN A 66 6.943 8.139 6.637 1.00 0.00 H new ATOM 0 HD21 ASN A 66 4.114 7.883 9.649 1.00 0.00 H new ATOM 0 HD22 ASN A 66 3.797 7.202 8.050 1.00 0.00 H new ATOM 634 N GLY A 67 6.082 7.580 3.912 1.00 0.00 N ATOM 635 CA GLY A 67 7.035 7.245 2.870 1.00 0.00 C ATOM 636 C GLY A 67 8.061 6.257 3.427 1.00 0.00 C ATOM 637 O GLY A 67 8.814 6.601 4.338 1.00 0.00 O ATOM 0 H GLY A 67 5.526 6.776 4.203 1.00 0.00 H new ATOM 0 HA2 GLY A 67 6.519 6.809 2.015 1.00 0.00 H new ATOM 0 HA3 GLY A 67 7.535 8.146 2.515 1.00 0.00 H new ATOM 641 N GLN A 68 8.105 5.030 2.895 1.00 0.00 N ATOM 642 CA GLN A 68 9.271 4.155 3.039 1.00 0.00 C ATOM 643 C GLN A 68 10.488 4.945 2.514 1.00 0.00 C ATOM 644 O GLN A 68 10.336 5.749 1.605 1.00 0.00 O ATOM 645 CB GLN A 68 9.020 2.831 2.265 1.00 0.00 C ATOM 646 CG GLN A 68 10.120 2.428 1.281 1.00 0.00 C ATOM 647 CD GLN A 68 11.384 1.836 1.910 1.00 0.00 C ATOM 648 OE1 GLN A 68 12.460 2.409 1.785 1.00 0.00 O ATOM 649 NE2 GLN A 68 11.309 0.683 2.560 1.00 0.00 N ATOM 0 H GLN A 68 7.341 4.620 2.358 1.00 0.00 H new ATOM 0 HA GLN A 68 9.458 3.870 4.075 1.00 0.00 H new ATOM 0 HB2 GLN A 68 8.890 2.026 2.988 1.00 0.00 H new ATOM 0 HB3 GLN A 68 8.082 2.922 1.718 1.00 0.00 H new ATOM 0 HG2 GLN A 68 9.709 1.700 0.582 1.00 0.00 H new ATOM 0 HG3 GLN A 68 10.402 3.306 0.699 1.00 0.00 H new ATOM 0 HE21 GLN A 68 10.410 0.212 2.660 1.00 0.00 H new ATOM 0 HE22 GLN A 68 12.150 0.267 2.960 1.00 0.00 H new ATOM 658 N GLY A 69 11.693 4.699 3.031 1.00 0.00 N ATOM 659 CA GLY A 69 12.950 5.263 2.530 1.00 0.00 C ATOM 660 C GLY A 69 12.969 5.650 1.043 1.00 0.00 C ATOM 661 O GLY A 69 13.086 6.828 0.715 1.00 0.00 O ATOM 0 H GLY A 69 11.826 4.084 3.834 1.00 0.00 H new ATOM 0 HA2 GLY A 69 13.188 6.149 3.119 1.00 0.00 H new ATOM 0 HA3 GLY A 69 13.746 4.540 2.707 1.00 0.00 H new ATOM 665 N GLY A 70 12.858 4.675 0.136 1.00 0.00 N ATOM 666 CA GLY A 70 12.923 4.923 -1.305 1.00 0.00 C ATOM 667 C GLY A 70 11.560 5.224 -1.940 1.00 0.00 C ATOM 668 O GLY A 70 11.383 5.025 -3.141 1.00 0.00 O ATOM 0 H GLY A 70 12.721 3.694 0.380 1.00 0.00 H new ATOM 0 HA2 GLY A 70 13.594 5.762 -1.491 1.00 0.00 H new ATOM 0 HA3 GLY A 70 13.358 4.052 -1.795 1.00 0.00 H new ATOM 672 N MET A 71 10.588 5.689 -1.151 1.00 0.00 N ATOM 673 CA MET A 71 9.201 5.872 -1.559 1.00 0.00 C ATOM 674 C MET A 71 8.640 7.182 -0.989 1.00 0.00 C ATOM 675 O MET A 71 8.569 7.326 0.227 1.00 0.00 O ATOM 676 CB MET A 71 8.426 4.682 -0.994 1.00 0.00 C ATOM 677 CG MET A 71 6.914 4.759 -1.179 1.00 0.00 C ATOM 678 SD MET A 71 6.100 3.333 -0.429 1.00 0.00 S ATOM 679 CE MET A 71 4.565 4.122 0.128 1.00 0.00 C ATOM 0 H MET A 71 10.754 5.956 -0.181 1.00 0.00 H new ATOM 0 HA MET A 71 9.117 5.926 -2.644 1.00 0.00 H new ATOM 0 HB2 MET A 71 8.790 3.771 -1.468 1.00 0.00 H new ATOM 0 HB3 MET A 71 8.644 4.596 0.071 1.00 0.00 H new ATOM 0 HG2 MET A 71 6.535 5.677 -0.730 1.00 0.00 H new ATOM 0 HG3 MET A 71 6.675 4.802 -2.242 1.00 0.00 H new ATOM 0 HE1 MET A 71 3.918 3.375 0.588 1.00 0.00 H new ATOM 0 HE2 MET A 71 4.799 4.898 0.857 1.00 0.00 H new ATOM 0 HE3 MET A 71 4.055 4.568 -0.726 1.00 0.00 H new ATOM 689 N PRO A 72 8.162 8.128 -1.813 1.00 0.00 N ATOM 690 CA PRO A 72 7.458 9.282 -1.283 1.00 0.00 C ATOM 691 C PRO A 72 6.140 8.813 -0.658 1.00 0.00 C ATOM 692 O PRO A 72 5.487 7.917 -1.193 1.00 0.00 O ATOM 693 CB PRO A 72 7.245 10.214 -2.479 1.00 0.00 C ATOM 694 CG PRO A 72 7.219 9.271 -3.683 1.00 0.00 C ATOM 695 CD PRO A 72 8.080 8.077 -3.261 1.00 0.00 C ATOM 0 HA PRO A 72 8.005 9.805 -0.498 1.00 0.00 H new ATOM 0 HB2 PRO A 72 6.313 10.772 -2.389 1.00 0.00 H new ATOM 0 HB3 PRO A 72 8.048 10.946 -2.563 1.00 0.00 H new ATOM 0 HG2 PRO A 72 6.202 8.961 -3.921 1.00 0.00 H new ATOM 0 HG3 PRO A 72 7.621 9.754 -4.573 1.00 0.00 H new ATOM 0 HD2 PRO A 72 7.634 7.139 -3.593 1.00 0.00 H new ATOM 0 HD3 PRO A 72 9.072 8.135 -3.709 1.00 0.00 H new ATOM 703 N GLY A 73 5.752 9.396 0.478 1.00 0.00 N ATOM 704 CA GLY A 73 4.505 9.082 1.151 1.00 0.00 C ATOM 705 C GLY A 73 3.507 10.218 1.009 1.00 0.00 C ATOM 706 O GLY A 73 3.704 11.161 0.245 1.00 0.00 O ATOM 0 H GLY A 73 6.306 10.106 0.956 1.00 0.00 H new ATOM 0 HA2 GLY A 73 4.083 8.168 0.733 1.00 0.00 H new ATOM 0 HA3 GLY A 73 4.696 8.891 2.207 1.00 0.00 H new ATOM 710 N GLY A 74 2.394 10.091 1.727 1.00 0.00 N ATOM 711 CA GLY A 74 1.240 10.961 1.577 1.00 0.00 C ATOM 712 C GLY A 74 0.548 10.752 0.229 1.00 0.00 C ATOM 713 O GLY A 74 -0.326 11.531 -0.141 1.00 0.00 O ATOM 0 H GLY A 74 2.271 9.370 2.438 1.00 0.00 H new ATOM 0 HA2 GLY A 74 0.532 10.770 2.383 1.00 0.00 H new ATOM 0 HA3 GLY A 74 1.553 12.001 1.668 1.00 0.00 H new ATOM 717 N ILE A 75 0.905 9.674 -0.477 1.00 0.00 N ATOM 718 CA ILE A 75 0.294 9.264 -1.730 1.00 0.00 C ATOM 719 C ILE A 75 -1.187 8.959 -1.502 1.00 0.00 C ATOM 720 O ILE A 75 -2.002 9.149 -2.403 1.00 0.00 O ATOM 721 CB ILE A 75 1.084 8.064 -2.288 1.00 0.00 C ATOM 722 CG1 ILE A 75 2.496 8.547 -2.665 1.00 0.00 C ATOM 723 CG2 ILE A 75 0.374 7.414 -3.482 1.00 0.00 C ATOM 724 CD1 ILE A 75 3.310 7.480 -3.396 1.00 0.00 C ATOM 0 H ILE A 75 1.652 9.048 -0.176 1.00 0.00 H new ATOM 0 HA ILE A 75 0.335 10.060 -2.473 1.00 0.00 H new ATOM 0 HB ILE A 75 1.151 7.291 -1.523 1.00 0.00 H new ATOM 0 HG12 ILE A 75 2.416 9.432 -3.296 1.00 0.00 H new ATOM 0 HG13 ILE A 75 3.026 8.846 -1.761 1.00 0.00 H new ATOM 0 HG21 ILE A 75 0.966 6.573 -3.843 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -0.609 7.059 -3.172 1.00 0.00 H new ATOM 0 HG23 ILE A 75 0.260 8.147 -4.281 1.00 0.00 H new ATOM 0 HD11 ILE A 75 4.296 7.876 -3.637 1.00 0.00 H new ATOM 0 HD12 ILE A 75 3.417 6.603 -2.757 1.00 0.00 H new ATOM 0 HD13 ILE A 75 2.798 7.198 -4.316 1.00 0.00 H new ATOM 736 N ALA A 76 -1.528 8.498 -0.297 1.00 0.00 N ATOM 737 CA ALA A 76 -2.892 8.373 0.172 1.00 0.00 C ATOM 738 C ALA A 76 -2.894 8.893 1.605 1.00 0.00 C ATOM 739 O ALA A 76 -1.883 8.739 2.293 1.00 0.00 O ATOM 740 CB ALA A 76 -3.309 6.904 0.094 1.00 0.00 C ATOM 0 H ALA A 76 -0.838 8.196 0.391 1.00 0.00 H new ATOM 0 HA ALA A 76 -3.603 8.940 -0.429 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -4.335 6.798 0.445 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -3.241 6.561 -0.938 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -2.648 6.304 0.720 1.00 0.00 H new ATOM 746 N LYS A 77 -3.979 9.535 2.050 1.00 0.00 N ATOM 747 CA LYS A 77 -4.127 10.015 3.412 1.00 0.00 C ATOM 748 C LYS A 77 -5.569 9.854 3.900 1.00 0.00 C ATOM 749 O LYS A 77 -6.490 9.666 3.105 1.00 0.00 O ATOM 750 CB LYS A 77 -3.655 11.472 3.513 1.00 0.00 C ATOM 751 CG LYS A 77 -2.121 11.580 3.460 1.00 0.00 C ATOM 752 CD LYS A 77 -1.589 12.875 4.094 1.00 0.00 C ATOM 753 CE LYS A 77 -0.220 12.620 4.755 1.00 0.00 C ATOM 754 NZ LYS A 77 0.339 13.828 5.394 1.00 0.00 N ATOM 0 H LYS A 77 -4.786 9.735 1.459 1.00 0.00 H new ATOM 0 HA LYS A 77 -3.499 9.409 4.065 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -4.089 12.052 2.698 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -4.018 11.908 4.443 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -1.684 10.724 3.974 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -1.794 11.529 2.421 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -1.495 13.649 3.333 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -2.297 13.243 4.837 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -0.323 11.833 5.503 1.00 0.00 H new ATOM 0 HE3 LYS A 77 0.480 12.255 4.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 1.259 13.600 5.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 0.465 14.572 4.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -0.313 14.164 6.132 1.00 0.00 H new ATOM 768 N GLY A 78 -5.745 9.905 5.225 1.00 0.00 N ATOM 769 CA GLY A 78 -7.025 9.691 5.883 1.00 0.00 C ATOM 770 C GLY A 78 -7.667 8.398 5.386 1.00 0.00 C ATOM 771 O GLY A 78 -6.961 7.415 5.151 1.00 0.00 O ATOM 0 H GLY A 78 -4.984 10.100 5.876 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -6.883 9.643 6.963 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -7.688 10.533 5.686 1.00 0.00 H new ATOM 775 N ALA A 79 -8.982 8.448 5.138 1.00 0.00 N ATOM 776 CA ALA A 79 -9.785 7.341 4.637 1.00 0.00 C ATOM 777 C ALA A 79 -9.074 6.561 3.533 1.00 0.00 C ATOM 778 O ALA A 79 -9.194 5.341 3.473 1.00 0.00 O ATOM 779 CB ALA A 79 -11.132 7.866 4.132 1.00 0.00 C ATOM 0 H ALA A 79 -9.530 9.295 5.289 1.00 0.00 H new ATOM 0 HA ALA A 79 -9.945 6.650 5.464 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -11.730 7.035 3.758 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -11.662 8.355 4.950 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -10.965 8.583 3.328 1.00 0.00 H new ATOM 785 N GLU A 80 -8.340 7.257 2.661 1.00 0.00 N ATOM 786 CA GLU A 80 -7.588 6.636 1.589 1.00 0.00 C ATOM 787 C GLU A 80 -6.540 5.671 2.174 1.00 0.00 C ATOM 788 O GLU A 80 -6.585 4.473 1.896 1.00 0.00 O ATOM 789 CB GLU A 80 -7.001 7.750 0.709 1.00 0.00 C ATOM 790 CG GLU A 80 -6.738 7.325 -0.740 1.00 0.00 C ATOM 791 CD GLU A 80 -6.252 8.482 -1.604 1.00 0.00 C ATOM 792 OE1 GLU A 80 -5.856 9.514 -1.024 1.00 0.00 O ATOM 793 OE2 GLU A 80 -6.286 8.317 -2.844 1.00 0.00 O ATOM 0 H GLU A 80 -8.256 8.273 2.687 1.00 0.00 H new ATOM 0 HA GLU A 80 -8.223 6.021 0.951 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -7.685 8.598 0.710 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -6.066 8.094 1.151 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -5.995 6.528 -0.753 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -7.653 6.915 -1.168 1.00 0.00 H new ATOM 800 N ALA A 81 -5.613 6.159 3.012 1.00 0.00 N ATOM 801 CA ALA A 81 -4.575 5.321 3.592 1.00 0.00 C ATOM 802 C ALA A 81 -5.185 4.278 4.526 1.00 0.00 C ATOM 803 O ALA A 81 -4.768 3.123 4.504 1.00 0.00 O ATOM 804 CB ALA A 81 -3.564 6.195 4.331 1.00 0.00 C ATOM 0 H ALA A 81 -5.569 7.137 3.299 1.00 0.00 H new ATOM 0 HA ALA A 81 -4.058 4.788 2.794 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -2.787 5.565 4.765 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -3.112 6.899 3.632 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -4.070 6.745 5.124 1.00 0.00 H new ATOM 810 N GLU A 82 -6.164 4.678 5.340 1.00 0.00 N ATOM 811 CA GLU A 82 -6.871 3.782 6.246 1.00 0.00 C ATOM 812 C GLU A 82 -7.433 2.591 5.462 1.00 0.00 C ATOM 813 O GLU A 82 -7.178 1.432 5.793 1.00 0.00 O ATOM 814 CB GLU A 82 -7.963 4.571 6.980 1.00 0.00 C ATOM 815 CG GLU A 82 -7.367 5.648 7.903 1.00 0.00 C ATOM 816 CD GLU A 82 -8.448 6.570 8.455 1.00 0.00 C ATOM 817 OE1 GLU A 82 -9.288 6.060 9.225 1.00 0.00 O ATOM 818 OE2 GLU A 82 -8.428 7.764 8.082 1.00 0.00 O ATOM 0 H GLU A 82 -6.489 5.644 5.386 1.00 0.00 H new ATOM 0 HA GLU A 82 -6.191 3.379 6.996 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -8.623 5.041 6.252 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -8.574 3.886 7.568 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -6.839 5.170 8.728 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -6.633 6.235 7.352 1.00 0.00 H new ATOM 825 N ALA A 83 -8.170 2.889 4.386 1.00 0.00 N ATOM 826 CA ALA A 83 -8.692 1.884 3.480 1.00 0.00 C ATOM 827 C ALA A 83 -7.557 1.010 2.946 1.00 0.00 C ATOM 828 O ALA A 83 -7.652 -0.216 3.040 1.00 0.00 O ATOM 829 CB ALA A 83 -9.493 2.551 2.357 1.00 0.00 C ATOM 0 H ALA A 83 -8.417 3.844 4.126 1.00 0.00 H new ATOM 0 HA ALA A 83 -9.375 1.228 4.019 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -9.880 1.787 1.683 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -10.324 3.111 2.786 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -8.846 3.230 1.802 1.00 0.00 H new ATOM 835 N VAL A 84 -6.483 1.620 2.411 1.00 0.00 N ATOM 836 CA VAL A 84 -5.337 0.842 1.946 1.00 0.00 C ATOM 837 C VAL A 84 -4.888 -0.138 3.021 1.00 0.00 C ATOM 838 O VAL A 84 -4.838 -1.326 2.749 1.00 0.00 O ATOM 839 CB VAL A 84 -4.111 1.674 1.517 1.00 0.00 C ATOM 840 CG1 VAL A 84 -2.968 0.697 1.185 1.00 0.00 C ATOM 841 CG2 VAL A 84 -4.336 2.550 0.285 1.00 0.00 C ATOM 0 H VAL A 84 -6.392 2.629 2.295 1.00 0.00 H new ATOM 0 HA VAL A 84 -5.702 0.331 1.055 1.00 0.00 H new ATOM 0 HB VAL A 84 -3.888 2.344 2.347 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -2.086 1.259 0.878 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -2.730 0.102 2.067 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -3.278 0.037 0.375 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -3.422 3.098 0.057 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -4.604 1.922 -0.564 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -5.143 3.256 0.483 1.00 0.00 H new ATOM 851 N ALA A 85 -4.483 0.346 4.194 1.00 0.00 N ATOM 852 CA ALA A 85 -3.838 -0.472 5.211 1.00 0.00 C ATOM 853 C ALA A 85 -4.667 -1.716 5.514 1.00 0.00 C ATOM 854 O ALA A 85 -4.164 -2.836 5.411 1.00 0.00 O ATOM 855 CB ALA A 85 -3.626 0.373 6.461 1.00 0.00 C ATOM 0 H ALA A 85 -4.595 1.323 4.464 1.00 0.00 H new ATOM 0 HA ALA A 85 -2.870 -0.816 4.845 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -3.143 -0.230 7.230 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -2.994 1.227 6.220 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -4.589 0.727 6.829 1.00 0.00 H new ATOM 861 N ALA A 86 -5.948 -1.518 5.840 1.00 0.00 N ATOM 862 CA ALA A 86 -6.864 -2.614 6.116 1.00 0.00 C ATOM 863 C ALA A 86 -6.882 -3.608 4.952 1.00 0.00 C ATOM 864 O ALA A 86 -6.640 -4.800 5.131 1.00 0.00 O ATOM 865 CB ALA A 86 -8.260 -2.050 6.389 1.00 0.00 C ATOM 0 H ALA A 86 -6.372 -0.594 5.918 1.00 0.00 H new ATOM 0 HA ALA A 86 -6.527 -3.155 7.000 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -8.949 -2.869 6.596 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -8.221 -1.382 7.250 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -8.606 -1.497 5.516 1.00 0.00 H new ATOM 871 N TRP A 87 -7.148 -3.114 3.746 1.00 0.00 N ATOM 872 CA TRP A 87 -7.256 -3.944 2.555 1.00 0.00 C ATOM 873 C TRP A 87 -5.941 -4.664 2.228 1.00 0.00 C ATOM 874 O TRP A 87 -5.926 -5.808 1.791 1.00 0.00 O ATOM 875 CB TRP A 87 -7.680 -3.028 1.414 1.00 0.00 C ATOM 876 CG TRP A 87 -7.572 -3.592 0.039 1.00 0.00 C ATOM 877 CD1 TRP A 87 -8.467 -4.369 -0.610 1.00 0.00 C ATOM 878 CD2 TRP A 87 -6.485 -3.385 -0.897 1.00 0.00 C ATOM 879 NE1 TRP A 87 -7.896 -4.841 -1.775 1.00 0.00 N ATOM 880 CE2 TRP A 87 -6.667 -4.255 -2.005 1.00 0.00 C ATOM 881 CE3 TRP A 87 -5.333 -2.578 -0.907 1.00 0.00 C ATOM 882 CZ2 TRP A 87 -5.690 -4.360 -3.006 1.00 0.00 C ATOM 883 CZ3 TRP A 87 -4.521 -2.528 -2.049 1.00 0.00 C ATOM 884 CH2 TRP A 87 -4.825 -3.291 -3.178 1.00 0.00 C ATOM 0 H TRP A 87 -7.295 -2.120 3.569 1.00 0.00 H new ATOM 0 HA TRP A 87 -7.990 -4.733 2.717 1.00 0.00 H new ATOM 0 HB2 TRP A 87 -8.715 -2.730 1.581 1.00 0.00 H new ATOM 0 HB3 TRP A 87 -7.076 -2.122 1.460 1.00 0.00 H new ATOM 0 HD1 TRP A 87 -9.469 -4.586 -0.271 1.00 0.00 H new ATOM 0 HE1 TRP A 87 -8.327 -5.534 -2.387 1.00 0.00 H new ATOM 0 HE3 TRP A 87 -5.074 -1.997 -0.035 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 -5.614 -5.244 -3.622 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 -3.649 -1.891 -2.055 1.00 0.00 H new ATOM 0 HH2 TRP A 87 -4.404 -3.058 -4.145 1.00 0.00 H new ATOM 895 N LEU A 88 -4.811 -3.989 2.401 1.00 0.00 N ATOM 896 CA LEU A 88 -3.517 -4.519 2.018 1.00 0.00 C ATOM 897 C LEU A 88 -3.074 -5.557 3.045 1.00 0.00 C ATOM 898 O LEU A 88 -2.489 -6.578 2.690 1.00 0.00 O ATOM 899 CB LEU A 88 -2.509 -3.387 1.815 1.00 0.00 C ATOM 900 CG LEU A 88 -1.472 -3.651 0.721 1.00 0.00 C ATOM 901 CD1 LEU A 88 -0.384 -4.570 1.223 1.00 0.00 C ATOM 902 CD2 LEU A 88 -1.974 -4.242 -0.596 1.00 0.00 C ATOM 0 H LEU A 88 -4.771 -3.056 2.812 1.00 0.00 H new ATOM 0 HA LEU A 88 -3.585 -5.028 1.056 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -3.051 -2.474 1.571 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -1.989 -3.207 2.756 1.00 0.00 H new ATOM 0 HG LEU A 88 -1.122 -2.644 0.494 1.00 0.00 H new ATOM 0 HD11 LEU A 88 0.341 -4.743 0.428 1.00 0.00 H new ATOM 0 HD12 LEU A 88 0.115 -4.111 2.076 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -0.822 -5.520 1.528 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -1.134 -4.376 -1.278 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -2.445 -5.206 -0.406 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -2.701 -3.565 -1.045 1.00 0.00 H new ATOM 914 N ALA A 89 -3.432 -5.341 4.315 1.00 0.00 N ATOM 915 CA ALA A 89 -3.430 -6.410 5.296 1.00 0.00 C ATOM 916 C ALA A 89 -4.278 -7.568 4.774 1.00 0.00 C ATOM 917 O ALA A 89 -3.786 -8.684 4.637 1.00 0.00 O ATOM 918 CB ALA A 89 -3.869 -5.911 6.671 1.00 0.00 C ATOM 0 H ALA A 89 -3.725 -4.434 4.679 1.00 0.00 H new ATOM 0 HA ALA A 89 -2.414 -6.778 5.438 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -3.855 -6.739 7.380 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -3.187 -5.132 7.010 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -4.879 -5.506 6.606 1.00 0.00 H new ATOM 924 N GLU A 90 -5.530 -7.317 4.396 1.00 0.00 N ATOM 925 CA GLU A 90 -6.451 -8.394 4.048 1.00 0.00 C ATOM 926 C GLU A 90 -6.085 -9.062 2.706 1.00 0.00 C ATOM 927 O GLU A 90 -6.623 -10.117 2.378 1.00 0.00 O ATOM 928 CB GLU A 90 -7.899 -7.867 4.126 1.00 0.00 C ATOM 929 CG GLU A 90 -8.565 -7.639 2.762 1.00 0.00 C ATOM 930 CD GLU A 90 -9.840 -6.809 2.842 1.00 0.00 C ATOM 931 OE1 GLU A 90 -10.431 -6.768 3.943 1.00 0.00 O ATOM 932 OE2 GLU A 90 -10.195 -6.223 1.797 1.00 0.00 O ATOM 0 H GLU A 90 -5.928 -6.381 4.323 1.00 0.00 H new ATOM 0 HA GLU A 90 -6.363 -9.202 4.774 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -8.500 -8.575 4.696 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -7.902 -6.928 4.680 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -7.857 -7.141 2.099 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -8.797 -8.605 2.313 1.00 0.00 H new ATOM 939 N LYS A 91 -5.124 -8.501 1.959 1.00 0.00 N ATOM 940 CA LYS A 91 -4.637 -9.042 0.693 1.00 0.00 C ATOM 941 C LYS A 91 -3.906 -10.374 0.911 1.00 0.00 C ATOM 942 O LYS A 91 -3.797 -11.172 -0.018 1.00 0.00 O ATOM 943 CB LYS A 91 -3.701 -7.996 0.046 1.00 0.00 C ATOM 944 CG LYS A 91 -4.019 -7.601 -1.407 1.00 0.00 C ATOM 945 CD LYS A 91 -3.071 -8.187 -2.466 1.00 0.00 C ATOM 946 CE LYS A 91 -3.094 -9.719 -2.493 1.00 0.00 C ATOM 947 NZ LYS A 91 -2.464 -10.290 -3.700 1.00 0.00 N ATOM 0 H LYS A 91 -4.655 -7.637 2.230 1.00 0.00 H new ATOM 0 HA LYS A 91 -5.478 -9.244 0.030 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -3.721 -7.094 0.658 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -2.682 -8.381 0.080 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -5.036 -7.917 -1.638 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -3.997 -6.514 -1.484 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -3.349 -7.806 -3.448 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -2.055 -7.846 -2.268 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -2.581 -10.099 -1.609 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -4.127 -10.061 -2.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -3.118 -10.964 -4.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -2.242 -9.526 -4.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -1.587 -10.783 -3.434 1.00 0.00 H new ATOM 961 N LYS A 92 -3.385 -10.590 2.121 1.00 0.00 N ATOM 962 CA LYS A 92 -2.282 -11.501 2.389 1.00 0.00 C ATOM 963 C LYS A 92 -2.668 -12.974 2.226 1.00 0.00 C ATOM 964 O LYS A 92 -3.720 -13.366 2.780 1.00 0.00 O ATOM 965 CB LYS A 92 -1.815 -11.229 3.819 1.00 0.00 C ATOM 966 CG LYS A 92 -2.880 -11.542 4.883 1.00 0.00 C ATOM 967 CD LYS A 92 -2.575 -10.824 6.206 1.00 0.00 C ATOM 968 CE LYS A 92 -3.841 -10.626 7.049 1.00 0.00 C ATOM 969 NZ LYS A 92 -4.366 -11.906 7.550 1.00 0.00 N ATOM 970 OXT LYS A 92 -1.869 -13.691 1.584 1.00 0.00 O ATOM 0 H LYS A 92 -3.731 -10.122 2.959 1.00 0.00 H new ATOM 0 HA LYS A 92 -1.489 -11.323 1.663 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -0.925 -11.825 4.021 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -1.524 -10.182 3.905 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -3.861 -11.237 4.519 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -2.923 -12.618 5.052 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -1.846 -11.402 6.774 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -2.121 -9.855 5.998 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -3.619 -9.969 7.890 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -4.604 -10.129 6.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -5.222 -11.733 8.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -4.601 -12.523 6.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -3.647 -12.368 8.143 1.00 0.00 H new TER 984 LYS A 92 HETATM 985 FE HEC A 93 5.450 1.733 -2.065 1.00 0.00 FE HETATM 986 CHA HEC A 93 7.964 0.143 -0.360 1.00 0.00 C HETATM 987 CHB HEC A 93 3.103 0.383 0.056 1.00 0.00 C HETATM 988 CHC HEC A 93 3.128 3.688 -3.600 1.00 0.00 C HETATM 989 CHD HEC A 93 7.875 2.868 -4.361 1.00 0.00 C HETATM 990 NA HEC A 93 5.525 0.539 -0.400 1.00 0.00 N HETATM 991 C1A HEC A 93 6.666 0.030 0.108 1.00 0.00 C HETATM 992 C2A HEC A 93 6.333 -0.743 1.266 1.00 0.00 C HETATM 993 C3A HEC A 93 4.961 -0.731 1.396 1.00 0.00 C HETATM 994 C4A HEC A 93 4.448 0.096 0.318 1.00 0.00 C HETATM 995 CMA HEC A 93 4.176 -1.441 2.469 1.00 0.00 C HETATM 996 CAA HEC A 93 7.373 -1.444 2.104 1.00 0.00 C HETATM 997 CBA HEC A 93 8.075 -2.572 1.349 1.00 0.00 C HETATM 998 CGA HEC A 93 9.558 -2.668 1.672 1.00 0.00 C HETATM 999 O1A HEC A 93 10.170 -1.588 1.821 1.00 0.00 O HETATM 1000 O2A HEC A 93 10.058 -3.811 1.724 1.00 0.00 O HETATM 1001 NB HEC A 93 3.489 1.957 -1.847 1.00 0.00 N HETATM 1002 C1B HEC A 93 2.719 1.283 -0.942 1.00 0.00 C HETATM 1003 C2B HEC A 93 1.355 1.647 -1.199 1.00 0.00 C HETATM 1004 C3B HEC A 93 1.371 2.691 -2.100 1.00 0.00 C HETATM 1005 C4B HEC A 93 2.728 2.827 -2.570 1.00 0.00 C HETATM 1006 CMB HEC A 93 0.166 0.885 -0.670 1.00 0.00 C HETATM 1007 CAB HEC A 93 0.170 3.395 -2.676 1.00 0.00 C HETATM 1008 CBB HEC A 93 -0.708 4.098 -1.634 1.00 0.00 C HETATM 1009 NC HEC A 93 5.504 3.076 -3.675 1.00 0.00 N HETATM 1010 C1C HEC A 93 4.417 3.742 -4.113 1.00 0.00 C HETATM 1011 C2C HEC A 93 4.791 4.474 -5.300 1.00 0.00 C HETATM 1012 C3C HEC A 93 6.137 4.268 -5.505 1.00 0.00 C HETATM 1013 C4C HEC A 93 6.579 3.354 -4.475 1.00 0.00 C HETATM 1014 CMC HEC A 93 3.816 5.101 -6.270 1.00 0.00 C HETATM 1015 CAC HEC A 93 6.972 4.796 -6.660 1.00 0.00 C HETATM 1016 CBC HEC A 93 7.123 6.320 -6.686 1.00 0.00 C HETATM 1017 ND HEC A 93 7.547 1.550 -2.303 1.00 0.00 N HETATM 1018 C1D HEC A 93 8.288 2.053 -3.323 1.00 0.00 C HETATM 1019 C2D HEC A 93 9.634 1.550 -3.178 1.00 0.00 C HETATM 1020 C3D HEC A 93 9.690 0.890 -1.969 1.00 0.00 C HETATM 1021 C4D HEC A 93 8.335 0.828 -1.487 1.00 0.00 C HETATM 1022 CMD HEC A 93 10.688 1.615 -4.254 1.00 0.00 C HETATM 1023 CAD HEC A 93 10.903 0.315 -1.245 1.00 0.00 C HETATM 1024 CBD HEC A 93 12.178 1.177 -1.310 1.00 0.00 C HETATM 1025 CGD HEC A 93 13.103 0.799 -2.458 1.00 0.00 C HETATM 1026 O1D HEC A 93 13.127 -0.402 -2.805 1.00 0.00 O HETATM 1027 O2D HEC A 93 13.770 1.723 -2.973 1.00 0.00 O HETATM 0 HMD3 HEC A 93 10.345 1.070 -5.133 1.00 0.00 H new HETATM 0 HMD2 HEC A 93 10.871 2.656 -4.521 1.00 0.00 H new HETATM 0 HMD1 HEC A 93 11.611 1.167 -3.887 1.00 0.00 H new HETATM 0 HMC3 HEC A 93 3.172 4.328 -6.689 1.00 0.00 H new HETATM 0 HMC2 HEC A 93 3.206 5.838 -5.747 1.00 0.00 H new HETATM 0 HMC1 HEC A 93 4.366 5.590 -7.074 1.00 0.00 H new HETATM 0 HMB3 HEC A 93 0.197 -0.140 -1.040 1.00 0.00 H new HETATM 0 HMB2 HEC A 93 0.194 0.878 0.420 1.00 0.00 H new HETATM 0 HMB1 HEC A 93 -0.753 1.365 -1.007 1.00 0.00 H new HETATM 0 HMA3 HEC A 93 4.369 -2.512 2.412 1.00 0.00 H new HETATM 0 HMA2 HEC A 93 4.479 -1.069 3.448 1.00 0.00 H new HETATM 0 HMA1 HEC A 93 3.112 -1.255 2.324 1.00 0.00 H new HETATM 0 HBD2 HEC A 93 11.895 2.225 -1.411 1.00 0.00 H new HETATM 0 HBD1 HEC A 93 12.720 1.082 -0.369 1.00 0.00 H new HETATM 0 HBC3 HEC A 93 6.139 6.782 -6.768 1.00 0.00 H new HETATM 0 HBC2 HEC A 93 7.605 6.654 -5.767 1.00 0.00 H new HETATM 0 HBC1 HEC A 93 7.733 6.611 -7.541 1.00 0.00 H new HETATM 0 HBB3 HEC A 93 -1.081 3.365 -0.918 1.00 0.00 H new HETATM 0 HBB2 HEC A 93 -0.119 4.850 -1.110 1.00 0.00 H new HETATM 0 HBB1 HEC A 93 -1.550 4.579 -2.132 1.00 0.00 H new HETATM 0 HBA2 HEC A 93 7.594 -3.519 1.592 1.00 0.00 H new HETATM 0 HBA1 HEC A 93 7.951 -2.417 0.277 1.00 0.00 H new HETATM 0 HAD2 HEC A 93 10.641 0.161 -0.198 1.00 0.00 H new HETATM 0 HAD1 HEC A 93 11.125 -0.666 -1.666 1.00 0.00 H new HETATM 0 HAA2 HEC A 93 8.115 -0.718 2.437 1.00 0.00 H new HETATM 0 HAA1 HEC A 93 6.900 -1.850 2.998 1.00 0.00 H new HETATM 0 HHD HEC A 93 8.601 3.142 -5.126 1.00 0.00 H new HETATM 0 HHC HEC A 93 2.380 4.358 -4.025 1.00 0.00 H new HETATM 0 HHB HEC A 93 2.332 -0.110 0.648 1.00 0.00 H new HETATM 0 HHA HEC A 93 8.750 -0.350 0.211 1.00 0.00 H new HETATM 0 H2D HEC A 93 14.487 1.342 -3.522 1.00 0.00 H new HETATM 0 H2A HEC A 93 11.019 -3.740 1.901 1.00 0.00 H new