USER MOD reduce.3.24.130724 H: found=0, std=0, add=672, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 561 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 9 HIS HE2 : A 9 HIS NE2 : A 238 HEMFE :(H bumps) USER MOD NoAdj-H: A 19 HIS HE2 : A 19 HIS NE2 : A 218 HEMFE :(H bumps) USER MOD NoAdj-H: A 39 HIS HE2 : A 39 HIS NE2 : A 238 HEMFE :(H bumps) USER MOD NoAdj-H: A 49 HIS HE2 : A 49 HIS NE2 : A 261 HEMFE :(H bumps) USER MOD NoAdj-H: A 52 HIS HE2 : A 52 HIS NE2 : A 278 HEMFE :(H bumps) USER MOD NoAdj-H: A 62 HIS HE2 : A 62 HIS NE2 : A 261 HEMFE :(H bumps) USER MOD NoAdj-H: A 65 HIS HE2 : A 65 HIS NE2 : A 218 HEMFE :(H bumps) USER MOD NoAdj-H: A 79 HIS HE2 : A 79 HIS NE2 : A 278 HEMFE :(H bumps) USER MOD Set 1.1: A 74 THR OG1 : rot 102:sc= 1.92 USER MOD Set 1.2: A 77 THR OG1 : rot 153:sc= 1.98 USER MOD Set 2.1: A 45 MET CE :methyl 138:sc= -6.19! (180deg=-2.45!) USER MOD Set 2.2: A 261 HEM CMB :methyl 150:sc= -3.4 (180deg=-1.63) USER MOD Single : A 1 ALA N :NH3+ 134:sc= 0.048 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.859 USER MOD Single : A 12 MET CE :methyl -172:sc= -1.7 (180deg=-1.79!) USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 25 SER OG : rot -120:sc= 0.462 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= -0.812 K(o=-0.81,f=-1.4!) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0.054) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -0.44 K(o=-0.44,f=-3.7!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0.00278 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 218 HEM CMA :methyl 150:sc= -5.76! (180deg=-5.76!) USER MOD Single : A 218 HEM CMB :methyl -30:sc= -0.0808 (180deg=-0.357) USER MOD Single : A 218 HEM CMC :methyl -30:sc= -4.73! (180deg=-5.81!) USER MOD Single : A 218 HEM CMD :methyl 150:sc= -6.89! (180deg=-6.89!) USER MOD Single : A 238 HEM CMA :methyl -30:sc= -8.06! (180deg=-11!) USER MOD Single : A 238 HEM CMB :methyl -30:sc= -2.17 (180deg=-6.14!) USER MOD Single : A 238 HEM CMC :methyl -30:sc= -3.66! (180deg=-4.04!) USER MOD Single : A 238 HEM CMD :methyl 150:sc= -0.37 (180deg=-0.37) USER MOD Single : A 261 HEM CMA :methyl -30:sc= -0.0839 (180deg=-0.292) USER MOD Single : A 261 HEM CMC :methyl -30:sc= -7.83! (180deg=-8.07!) USER MOD Single : A 261 HEM CMD :methyl -30:sc= -1.04 (180deg=-3.53!) USER MOD Single : A 278 HEM CMA :methyl 150:sc= -0.137 (180deg=-0.137) USER MOD Single : A 278 HEM CMB :methyl -30:sc= -0.333 (180deg=-0.796) USER MOD Single : A 278 HEM CMC :methyl -30:sc= -1.28 (180deg=-1.9) USER MOD Single : A 278 HEM CMD :methyl -30:sc= -6.38! (180deg=-7.82!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 14.050 -14.719 1.538 1.00 0.00 N ATOM 2 CA ALA A 1 13.392 -13.435 1.370 1.00 0.00 C ATOM 3 C ALA A 1 13.241 -12.762 2.736 1.00 0.00 C ATOM 4 O ALA A 1 13.010 -13.433 3.740 1.00 0.00 O ATOM 5 CB ALA A 1 12.048 -13.638 0.668 1.00 0.00 C ATOM 0 H1 ALA A 1 13.543 -15.443 0.990 1.00 0.00 H new ATOM 0 H2 ALA A 1 15.031 -14.653 1.200 1.00 0.00 H new ATOM 0 H3 ALA A 1 14.047 -14.981 2.544 1.00 0.00 H new ATOM 0 HA ALA A 1 13.991 -12.776 0.742 1.00 0.00 H new ATOM 0 HB1 ALA A 1 11.554 -12.674 0.542 1.00 0.00 H new ATOM 0 HB2 ALA A 1 12.213 -14.092 -0.309 1.00 0.00 H new ATOM 0 HB3 ALA A 1 11.418 -14.292 1.270 1.00 0.00 H new ATOM 11 N ASP A 2 13.376 -11.444 2.728 1.00 0.00 N ATOM 12 CA ASP A 2 13.257 -10.673 3.954 1.00 0.00 C ATOM 13 C ASP A 2 13.670 -9.225 3.683 1.00 0.00 C ATOM 14 O ASP A 2 14.859 -8.914 3.629 1.00 0.00 O ATOM 15 CB ASP A 2 14.173 -11.229 5.046 1.00 0.00 C ATOM 16 CG ASP A 2 13.490 -12.154 6.054 1.00 0.00 C ATOM 17 OD1 ASP A 2 13.925 -13.295 6.270 1.00 0.00 O ATOM 18 OD2 ASP A 2 12.455 -11.654 6.639 1.00 0.00 O ATOM 0 H ASP A 2 13.567 -10.891 1.893 1.00 0.00 H new ATOM 0 HA ASP A 2 12.221 -10.730 4.289 1.00 0.00 H new ATOM 0 HB2 ASP A 2 14.990 -11.773 4.572 1.00 0.00 H new ATOM 0 HB3 ASP A 2 14.618 -10.393 5.586 1.00 0.00 H new ATOM 24 N GLU A 3 12.665 -8.377 3.518 1.00 0.00 N ATOM 25 CA GLU A 3 12.908 -6.969 3.253 1.00 0.00 C ATOM 26 C GLU A 3 11.583 -6.215 3.131 1.00 0.00 C ATOM 27 O GLU A 3 10.578 -6.784 2.708 1.00 0.00 O ATOM 28 CB GLU A 3 13.761 -6.787 1.996 1.00 0.00 C ATOM 29 CG GLU A 3 13.011 -7.266 0.751 1.00 0.00 C ATOM 30 CD GLU A 3 13.960 -7.962 -0.227 1.00 0.00 C ATOM 31 OE1 GLU A 3 14.267 -9.150 -0.054 1.00 0.00 O ATOM 32 OE2 GLU A 3 14.382 -7.222 -1.196 1.00 0.00 O ATOM 0 H GLU A 3 11.680 -8.638 3.563 1.00 0.00 H new ATOM 0 HA GLU A 3 13.464 -6.552 4.093 1.00 0.00 H new ATOM 0 HB2 GLU A 3 14.028 -5.736 1.882 1.00 0.00 H new ATOM 0 HB3 GLU A 3 14.693 -7.343 2.100 1.00 0.00 H new ATOM 0 HG2 GLU A 3 12.216 -7.952 1.043 1.00 0.00 H new ATOM 0 HG3 GLU A 3 12.535 -6.417 0.260 1.00 0.00 H new ATOM 40 N THR A 4 11.624 -4.946 3.509 1.00 0.00 N ATOM 41 CA THR A 4 10.439 -4.108 3.447 1.00 0.00 C ATOM 42 C THR A 4 9.933 -4.005 2.007 1.00 0.00 C ATOM 43 O THR A 4 10.682 -4.251 1.063 1.00 0.00 O ATOM 44 CB THR A 4 10.784 -2.753 4.069 1.00 0.00 C ATOM 45 OG1 THR A 4 11.954 -2.339 3.369 1.00 0.00 O ATOM 46 CG2 THR A 4 11.244 -2.876 5.523 1.00 0.00 C ATOM 0 H THR A 4 12.460 -4.478 3.859 1.00 0.00 H new ATOM 0 HA THR A 4 9.617 -4.543 4.016 1.00 0.00 H new ATOM 0 HB THR A 4 9.914 -2.098 4.018 1.00 0.00 H new ATOM 0 HG1 THR A 4 12.247 -1.467 3.708 1.00 0.00 H new ATOM 0 HG21 THR A 4 11.476 -1.886 5.916 1.00 0.00 H new ATOM 0 HG22 THR A 4 10.450 -3.326 6.119 1.00 0.00 H new ATOM 0 HG23 THR A 4 12.134 -3.503 5.571 1.00 0.00 H new ATOM 54 N LEU A 5 8.665 -3.640 1.883 1.00 0.00 N ATOM 55 CA LEU A 5 8.051 -3.501 0.574 1.00 0.00 C ATOM 56 C LEU A 5 8.756 -2.385 -0.200 1.00 0.00 C ATOM 57 O LEU A 5 9.046 -2.535 -1.386 1.00 0.00 O ATOM 58 CB LEU A 5 6.541 -3.296 0.710 1.00 0.00 C ATOM 59 CG LEU A 5 5.685 -3.838 -0.437 1.00 0.00 C ATOM 60 CD1 LEU A 5 4.981 -5.134 -0.030 1.00 0.00 C ATOM 61 CD2 LEU A 5 4.696 -2.780 -0.931 1.00 0.00 C ATOM 0 H LEU A 5 8.046 -3.436 2.668 1.00 0.00 H new ATOM 0 HA LEU A 5 8.175 -4.417 -0.004 1.00 0.00 H new ATOM 0 HB2 LEU A 5 6.212 -3.767 1.636 1.00 0.00 H new ATOM 0 HB3 LEU A 5 6.347 -2.228 0.809 1.00 0.00 H new ATOM 0 HG LEU A 5 6.344 -4.077 -1.272 1.00 0.00 H new ATOM 0 HD11 LEU A 5 4.379 -5.498 -0.863 1.00 0.00 H new ATOM 0 HD12 LEU A 5 5.725 -5.885 0.235 1.00 0.00 H new ATOM 0 HD13 LEU A 5 4.336 -4.944 0.828 1.00 0.00 H new ATOM 0 HD21 LEU A 5 4.100 -3.191 -1.746 1.00 0.00 H new ATOM 0 HD22 LEU A 5 4.038 -2.487 -0.113 1.00 0.00 H new ATOM 0 HD23 LEU A 5 5.244 -1.907 -1.287 1.00 0.00 H new ATOM 73 N ALA A 6 9.011 -1.291 0.503 1.00 0.00 N ATOM 74 CA ALA A 6 9.677 -0.151 -0.103 1.00 0.00 C ATOM 75 C ALA A 6 11.017 -0.600 -0.688 1.00 0.00 C ATOM 76 O ALA A 6 11.491 -0.032 -1.671 1.00 0.00 O ATOM 77 CB ALA A 6 9.837 0.959 0.938 1.00 0.00 C ATOM 0 H ALA A 6 8.768 -1.170 1.486 1.00 0.00 H new ATOM 0 HA ALA A 6 9.080 0.253 -0.921 1.00 0.00 H new ATOM 0 HB1 ALA A 6 10.337 1.815 0.484 1.00 0.00 H new ATOM 0 HB2 ALA A 6 8.855 1.263 1.300 1.00 0.00 H new ATOM 0 HB3 ALA A 6 10.434 0.592 1.773 1.00 0.00 H new ATOM 83 N GLU A 7 11.591 -1.615 -0.059 1.00 0.00 N ATOM 84 CA GLU A 7 12.867 -2.147 -0.506 1.00 0.00 C ATOM 85 C GLU A 7 12.689 -2.937 -1.803 1.00 0.00 C ATOM 86 O GLU A 7 13.290 -2.606 -2.824 1.00 0.00 O ATOM 87 CB GLU A 7 13.510 -3.013 0.580 1.00 0.00 C ATOM 88 CG GLU A 7 14.850 -2.426 1.027 1.00 0.00 C ATOM 89 CD GLU A 7 15.814 -2.297 -0.154 1.00 0.00 C ATOM 90 OE1 GLU A 7 16.183 -3.310 -0.767 1.00 0.00 O ATOM 91 OE2 GLU A 7 16.181 -1.091 -0.430 1.00 0.00 O ATOM 0 H GLU A 7 11.196 -2.083 0.757 1.00 0.00 H new ATOM 0 HA GLU A 7 13.538 -1.311 -0.703 1.00 0.00 H new ATOM 0 HB2 GLU A 7 12.838 -3.088 1.435 1.00 0.00 H new ATOM 0 HB3 GLU A 7 13.660 -4.024 0.202 1.00 0.00 H new ATOM 0 HG2 GLU A 7 14.690 -1.447 1.479 1.00 0.00 H new ATOM 0 HG3 GLU A 7 15.292 -3.062 1.794 1.00 0.00 H new ATOM 99 N PHE A 8 11.859 -3.967 -1.722 1.00 0.00 N ATOM 100 CA PHE A 8 11.594 -4.807 -2.877 1.00 0.00 C ATOM 101 C PHE A 8 11.364 -3.960 -4.130 1.00 0.00 C ATOM 102 O PHE A 8 11.760 -4.348 -5.228 1.00 0.00 O ATOM 103 CB PHE A 8 10.321 -5.600 -2.572 1.00 0.00 C ATOM 104 CG PHE A 8 9.795 -6.412 -3.756 1.00 0.00 C ATOM 105 CD1 PHE A 8 10.427 -7.557 -4.130 1.00 0.00 C ATOM 106 CD2 PHE A 8 8.694 -5.990 -4.435 1.00 0.00 C ATOM 107 CE1 PHE A 8 9.938 -8.311 -5.229 1.00 0.00 C ATOM 108 CE2 PHE A 8 8.206 -6.745 -5.534 1.00 0.00 C ATOM 109 CZ PHE A 8 8.838 -7.889 -5.908 1.00 0.00 C ATOM 0 H PHE A 8 11.361 -4.239 -0.874 1.00 0.00 H new ATOM 0 HA PHE A 8 12.446 -5.461 -3.064 1.00 0.00 H new ATOM 0 HB2 PHE A 8 10.517 -6.276 -1.740 1.00 0.00 H new ATOM 0 HB3 PHE A 8 9.544 -4.909 -2.245 1.00 0.00 H new ATOM 0 HD1 PHE A 8 11.301 -7.892 -3.591 1.00 0.00 H new ATOM 0 HD2 PHE A 8 8.192 -5.081 -4.138 1.00 0.00 H new ATOM 0 HE1 PHE A 8 10.440 -9.220 -5.526 1.00 0.00 H new ATOM 0 HE2 PHE A 8 7.332 -6.410 -6.073 1.00 0.00 H new ATOM 0 HZ PHE A 8 8.467 -8.463 -6.744 1.00 0.00 H new ATOM 119 N HIS A 9 10.725 -2.818 -3.925 1.00 0.00 N ATOM 120 CA HIS A 9 10.438 -1.912 -5.024 1.00 0.00 C ATOM 121 C HIS A 9 11.715 -1.172 -5.426 1.00 0.00 C ATOM 122 O HIS A 9 11.946 -0.923 -6.609 1.00 0.00 O ATOM 123 CB HIS A 9 9.293 -0.964 -4.662 1.00 0.00 C ATOM 124 CG HIS A 9 7.919 -1.565 -4.840 1.00 0.00 C ATOM 125 ND1 HIS A 9 7.294 -2.311 -3.855 1.00 0.00 N ATOM 126 CD2 HIS A 9 7.057 -1.522 -5.896 1.00 0.00 C ATOM 127 CE1 HIS A 9 6.110 -2.695 -4.310 1.00 0.00 C ATOM 128 NE2 HIS A 9 5.965 -2.205 -5.575 1.00 0.00 N ATOM 0 H HIS A 9 10.398 -2.499 -3.013 1.00 0.00 H new ATOM 0 HA HIS A 9 10.101 -2.481 -5.890 1.00 0.00 H new ATOM 0 HB2 HIS A 9 9.409 -0.650 -3.625 1.00 0.00 H new ATOM 0 HB3 HIS A 9 9.369 -0.067 -5.277 1.00 0.00 H new ATOM 0 HD1 HIS A 9 7.679 -2.528 -2.936 1.00 0.00 H new ATOM 0 HD2 HIS A 9 7.233 -1.018 -6.835 1.00 0.00 H new ATOM 0 HE1 HIS A 9 5.387 -3.291 -3.774 1.00 0.00 H new ATOM 136 N VAL A 10 12.512 -0.842 -4.420 1.00 0.00 N ATOM 137 CA VAL A 10 13.759 -0.136 -4.655 1.00 0.00 C ATOM 138 C VAL A 10 14.644 -0.967 -5.585 1.00 0.00 C ATOM 139 O VAL A 10 15.078 -0.485 -6.630 1.00 0.00 O ATOM 140 CB VAL A 10 14.435 0.190 -3.321 1.00 0.00 C ATOM 141 CG1 VAL A 10 15.941 0.386 -3.503 1.00 0.00 C ATOM 142 CG2 VAL A 10 13.797 1.417 -2.668 1.00 0.00 C ATOM 0 H VAL A 10 12.318 -1.051 -3.441 1.00 0.00 H new ATOM 0 HA VAL A 10 13.571 0.816 -5.151 1.00 0.00 H new ATOM 0 HB VAL A 10 14.286 -0.659 -2.654 1.00 0.00 H new ATOM 0 HG11 VAL A 10 16.397 0.617 -2.540 1.00 0.00 H new ATOM 0 HG12 VAL A 10 16.381 -0.527 -3.903 1.00 0.00 H new ATOM 0 HG13 VAL A 10 16.120 1.209 -4.195 1.00 0.00 H new ATOM 0 HG21 VAL A 10 14.296 1.627 -1.722 1.00 0.00 H new ATOM 0 HG22 VAL A 10 13.900 2.276 -3.331 1.00 0.00 H new ATOM 0 HG23 VAL A 10 12.740 1.224 -2.486 1.00 0.00 H new ATOM 152 N GLU A 11 14.885 -2.203 -5.173 1.00 0.00 N ATOM 153 CA GLU A 11 15.710 -3.106 -5.957 1.00 0.00 C ATOM 154 C GLU A 11 15.198 -3.178 -7.397 1.00 0.00 C ATOM 155 O GLU A 11 15.932 -3.572 -8.302 1.00 0.00 O ATOM 156 CB GLU A 11 15.757 -4.497 -5.321 1.00 0.00 C ATOM 157 CG GLU A 11 16.826 -5.368 -5.985 1.00 0.00 C ATOM 158 CD GLU A 11 18.176 -5.210 -5.282 1.00 0.00 C ATOM 159 OE1 GLU A 11 18.511 -4.108 -4.825 1.00 0.00 O ATOM 160 OE2 GLU A 11 18.886 -6.285 -5.219 1.00 0.00 O ATOM 0 H GLU A 11 14.523 -2.600 -4.306 1.00 0.00 H new ATOM 0 HA GLU A 11 16.728 -2.716 -5.973 1.00 0.00 H new ATOM 0 HB2 GLU A 11 15.967 -4.407 -4.255 1.00 0.00 H new ATOM 0 HB3 GLU A 11 14.783 -4.977 -5.414 1.00 0.00 H new ATOM 0 HG2 GLU A 11 16.518 -6.413 -5.957 1.00 0.00 H new ATOM 0 HG3 GLU A 11 16.924 -5.092 -7.035 1.00 0.00 H new ATOM 168 N MET A 12 13.942 -2.792 -7.564 1.00 0.00 N ATOM 169 CA MET A 12 13.323 -2.808 -8.879 1.00 0.00 C ATOM 170 C MET A 12 13.245 -1.397 -9.465 1.00 0.00 C ATOM 171 O MET A 12 12.480 -1.149 -10.396 1.00 0.00 O ATOM 172 CB MET A 12 11.914 -3.395 -8.773 1.00 0.00 C ATOM 173 CG MET A 12 11.868 -4.815 -9.341 1.00 0.00 C ATOM 174 SD MET A 12 10.179 -5.389 -9.414 1.00 0.00 S ATOM 175 CE MET A 12 9.572 -4.764 -7.856 1.00 0.00 C ATOM 0 H MET A 12 13.336 -2.466 -6.811 1.00 0.00 H new ATOM 0 HA MET A 12 13.934 -3.423 -9.540 1.00 0.00 H new ATOM 0 HB2 MET A 12 11.598 -3.406 -7.730 1.00 0.00 H new ATOM 0 HB3 MET A 12 11.210 -2.761 -9.312 1.00 0.00 H new ATOM 0 HG2 MET A 12 12.310 -4.831 -10.337 1.00 0.00 H new ATOM 0 HG3 MET A 12 12.462 -5.484 -8.718 1.00 0.00 H new ATOM 0 HE1 MET A 12 8.571 -5.153 -7.673 1.00 0.00 H new ATOM 0 HE2 MET A 12 10.237 -5.081 -7.053 1.00 0.00 H new ATOM 0 HE3 MET A 12 9.537 -3.675 -7.890 1.00 0.00 H new ATOM 185 N GLY A 13 14.048 -0.509 -8.897 1.00 0.00 N ATOM 186 CA GLY A 13 14.080 0.871 -9.351 1.00 0.00 C ATOM 187 C GLY A 13 14.976 1.724 -8.451 1.00 0.00 C ATOM 188 O GLY A 13 16.116 2.019 -8.805 1.00 0.00 O ATOM 0 H GLY A 13 14.682 -0.719 -8.126 1.00 0.00 H new ATOM 0 HA2 GLY A 13 14.445 0.912 -10.377 1.00 0.00 H new ATOM 0 HA3 GLY A 13 13.069 1.279 -9.356 1.00 0.00 H new ATOM 192 N GLY A 14 14.425 2.097 -7.305 1.00 0.00 N ATOM 193 CA GLY A 14 15.160 2.910 -6.352 1.00 0.00 C ATOM 194 C GLY A 14 14.212 3.579 -5.355 1.00 0.00 C ATOM 195 O GLY A 14 13.046 3.200 -5.252 1.00 0.00 O ATOM 0 H GLY A 14 13.478 1.851 -7.015 1.00 0.00 H new ATOM 0 HA2 GLY A 14 15.878 2.289 -5.816 1.00 0.00 H new ATOM 0 HA3 GLY A 14 15.731 3.671 -6.883 1.00 0.00 H new ATOM 199 N CYS A 15 14.746 4.563 -4.647 1.00 0.00 N ATOM 200 CA CYS A 15 13.961 5.288 -3.662 1.00 0.00 C ATOM 201 C CYS A 15 13.044 6.263 -4.402 1.00 0.00 C ATOM 202 O CYS A 15 12.093 6.787 -3.824 1.00 0.00 O ATOM 203 CB CYS A 15 14.852 6.003 -2.644 1.00 0.00 C ATOM 204 SG CYS A 15 15.824 4.894 -1.561 1.00 0.00 S ATOM 0 H CYS A 15 15.713 4.875 -4.736 1.00 0.00 H new ATOM 0 HA CYS A 15 13.356 4.587 -3.088 1.00 0.00 H new ATOM 0 HB2 CYS A 15 15.539 6.658 -3.180 1.00 0.00 H new ATOM 0 HB3 CYS A 15 14.226 6.641 -2.019 1.00 0.00 H new ATOM 209 N GLU A 16 13.360 6.477 -5.671 1.00 0.00 N ATOM 210 CA GLU A 16 12.576 7.379 -6.496 1.00 0.00 C ATOM 211 C GLU A 16 11.373 6.645 -7.091 1.00 0.00 C ATOM 212 O GLU A 16 10.724 7.149 -8.006 1.00 0.00 O ATOM 213 CB GLU A 16 13.437 8.003 -7.596 1.00 0.00 C ATOM 214 CG GLU A 16 14.365 9.076 -7.024 1.00 0.00 C ATOM 215 CD GLU A 16 14.225 10.391 -7.795 1.00 0.00 C ATOM 216 OE1 GLU A 16 13.116 10.938 -7.890 1.00 0.00 O ATOM 217 OE2 GLU A 16 15.320 10.843 -8.305 1.00 0.00 O ATOM 0 H GLU A 16 14.149 6.041 -6.148 1.00 0.00 H new ATOM 0 HA GLU A 16 12.207 8.188 -5.866 1.00 0.00 H new ATOM 0 HB2 GLU A 16 14.028 7.228 -8.083 1.00 0.00 H new ATOM 0 HB3 GLU A 16 12.795 8.442 -8.360 1.00 0.00 H new ATOM 0 HG2 GLU A 16 14.131 9.241 -5.972 1.00 0.00 H new ATOM 0 HG3 GLU A 16 15.398 8.731 -7.071 1.00 0.00 H new ATOM 225 N ASN A 17 11.112 5.465 -6.547 1.00 0.00 N ATOM 226 CA ASN A 17 9.999 4.656 -7.013 1.00 0.00 C ATOM 227 C ASN A 17 8.686 5.274 -6.527 1.00 0.00 C ATOM 228 O ASN A 17 7.637 5.071 -7.135 1.00 0.00 O ATOM 229 CB ASN A 17 10.084 3.232 -6.460 1.00 0.00 C ATOM 230 CG ASN A 17 9.887 2.200 -7.572 1.00 0.00 C ATOM 231 OD1 ASN A 17 10.828 1.707 -8.171 1.00 0.00 O ATOM 232 ND2 ASN A 17 8.613 1.901 -7.813 1.00 0.00 N ATOM 0 H ASN A 17 11.652 5.050 -5.788 1.00 0.00 H new ATOM 0 HA ASN A 17 10.038 4.623 -8.102 1.00 0.00 H new ATOM 0 HB2 ASN A 17 11.053 3.080 -5.985 1.00 0.00 H new ATOM 0 HB3 ASN A 17 9.326 3.091 -5.690 1.00 0.00 H new ATOM 0 HD21 ASN A 17 8.377 1.222 -8.536 1.00 0.00 H new ATOM 0 HD22 ASN A 17 7.873 2.351 -7.274 1.00 0.00 H new ATOM 239 N CYS A 18 8.788 6.018 -5.435 1.00 0.00 N ATOM 240 CA CYS A 18 7.622 6.667 -4.860 1.00 0.00 C ATOM 241 C CYS A 18 8.073 7.979 -4.214 1.00 0.00 C ATOM 242 O CYS A 18 7.424 8.477 -3.295 1.00 0.00 O ATOM 243 CB CYS A 18 6.902 5.758 -3.863 1.00 0.00 C ATOM 244 SG CYS A 18 7.010 4.016 -4.414 1.00 0.00 S ATOM 0 H CYS A 18 9.660 6.186 -4.933 1.00 0.00 H new ATOM 0 HA CYS A 18 6.897 6.880 -5.645 1.00 0.00 H new ATOM 0 HB2 CYS A 18 7.348 5.864 -2.874 1.00 0.00 H new ATOM 0 HB3 CYS A 18 5.857 6.056 -3.775 1.00 0.00 H new ATOM 249 N HIS A 19 9.182 8.500 -4.718 1.00 0.00 N ATOM 250 CA HIS A 19 9.726 9.744 -4.202 1.00 0.00 C ATOM 251 C HIS A 19 10.351 10.545 -5.346 1.00 0.00 C ATOM 252 O HIS A 19 11.113 10.003 -6.145 1.00 0.00 O ATOM 253 CB HIS A 19 10.710 9.474 -3.061 1.00 0.00 C ATOM 254 CG HIS A 19 10.089 8.799 -1.861 1.00 0.00 C ATOM 255 ND1 HIS A 19 8.844 9.148 -1.366 1.00 0.00 N ATOM 256 CD2 HIS A 19 10.552 7.794 -1.065 1.00 0.00 C ATOM 257 CE1 HIS A 19 8.582 8.381 -0.318 1.00 0.00 C ATOM 258 NE2 HIS A 19 9.642 7.543 -0.133 1.00 0.00 N ATOM 0 H HIS A 19 9.719 8.083 -5.479 1.00 0.00 H new ATOM 0 HA HIS A 19 8.924 10.348 -3.778 1.00 0.00 H new ATOM 0 HB2 HIS A 19 11.522 8.851 -3.435 1.00 0.00 H new ATOM 0 HB3 HIS A 19 11.152 10.419 -2.745 1.00 0.00 H new ATOM 0 HD1 HIS A 19 8.233 9.872 -1.744 1.00 0.00 H new ATOM 0 HD2 HIS A 19 11.500 7.288 -1.175 1.00 0.00 H new ATOM 0 HE1 HIS A 19 7.686 8.414 0.284 1.00 0.00 H new ATOM 266 N ALA A 20 10.005 11.824 -5.388 1.00 0.00 N ATOM 267 CA ALA A 20 10.522 12.705 -6.421 1.00 0.00 C ATOM 268 C ALA A 20 11.789 13.394 -5.910 1.00 0.00 C ATOM 269 O ALA A 20 11.729 14.209 -4.991 1.00 0.00 O ATOM 270 CB ALA A 20 9.438 13.705 -6.828 1.00 0.00 C ATOM 0 H ALA A 20 9.373 12.271 -4.723 1.00 0.00 H new ATOM 0 HA ALA A 20 10.792 12.137 -7.311 1.00 0.00 H new ATOM 0 HB1 ALA A 20 9.825 14.366 -7.603 1.00 0.00 H new ATOM 0 HB2 ALA A 20 8.571 13.166 -7.211 1.00 0.00 H new ATOM 0 HB3 ALA A 20 9.144 14.296 -5.961 1.00 0.00 H new ATOM 276 N ASP A 21 12.906 13.041 -6.529 1.00 0.00 N ATOM 277 CA ASP A 21 14.186 13.615 -6.148 1.00 0.00 C ATOM 278 C ASP A 21 14.256 13.729 -4.624 1.00 0.00 C ATOM 279 O ASP A 21 14.707 14.743 -4.094 1.00 0.00 O ATOM 280 CB ASP A 21 14.356 15.017 -6.735 1.00 0.00 C ATOM 281 CG ASP A 21 15.769 15.348 -7.220 1.00 0.00 C ATOM 282 OD1 ASP A 21 16.489 16.142 -6.597 1.00 0.00 O ATOM 283 OD2 ASP A 21 16.130 14.743 -8.301 1.00 0.00 O ATOM 0 H ASP A 21 12.952 12.365 -7.291 1.00 0.00 H new ATOM 0 HA ASP A 21 14.974 12.966 -6.529 1.00 0.00 H new ATOM 0 HB2 ASP A 21 13.665 15.131 -7.571 1.00 0.00 H new ATOM 0 HB3 ASP A 21 14.067 15.748 -5.980 1.00 0.00 H new ATOM 289 N GLY A 22 13.803 12.674 -3.963 1.00 0.00 N ATOM 290 CA GLY A 22 13.809 12.642 -2.510 1.00 0.00 C ATOM 291 C GLY A 22 12.987 13.797 -1.933 1.00 0.00 C ATOM 292 O GLY A 22 13.518 14.646 -1.220 1.00 0.00 O ATOM 0 H GLY A 22 13.429 11.835 -4.407 1.00 0.00 H new ATOM 0 HA2 GLY A 22 13.403 11.692 -2.162 1.00 0.00 H new ATOM 0 HA3 GLY A 22 14.834 12.703 -2.145 1.00 0.00 H new ATOM 296 N GLU A 23 11.703 13.790 -2.264 1.00 0.00 N ATOM 297 CA GLU A 23 10.803 14.826 -1.788 1.00 0.00 C ATOM 298 C GLU A 23 9.418 14.238 -1.508 1.00 0.00 C ATOM 299 O GLU A 23 8.409 14.645 -2.080 1.00 0.00 O ATOM 300 CB GLU A 23 10.717 15.980 -2.789 1.00 0.00 C ATOM 301 CG GLU A 23 10.476 17.311 -2.072 1.00 0.00 C ATOM 302 CD GLU A 23 9.177 17.272 -1.266 1.00 0.00 C ATOM 303 OE1 GLU A 23 9.131 16.653 -0.192 1.00 0.00 O ATOM 304 OE2 GLU A 23 8.190 17.916 -1.791 1.00 0.00 O ATOM 0 H GLU A 23 11.266 13.084 -2.856 1.00 0.00 H new ATOM 0 HA GLU A 23 11.201 15.226 -0.856 1.00 0.00 H new ATOM 0 HB2 GLU A 23 11.640 16.035 -3.366 1.00 0.00 H new ATOM 0 HB3 GLU A 23 9.910 15.793 -3.497 1.00 0.00 H new ATOM 0 HG2 GLU A 23 11.313 17.528 -1.409 1.00 0.00 H new ATOM 0 HG3 GLU A 23 10.431 18.119 -2.803 1.00 0.00 H new ATOM 312 N PRO A 24 9.394 13.259 -0.602 1.00 0.00 N ATOM 313 CA PRO A 24 8.195 12.564 -0.184 1.00 0.00 C ATOM 314 C PRO A 24 7.098 13.574 0.118 1.00 0.00 C ATOM 315 O PRO A 24 7.267 14.379 1.033 1.00 0.00 O ATOM 316 CB PRO A 24 8.602 11.804 1.077 1.00 0.00 C ATOM 317 CG PRO A 24 10.050 12.318 1.460 1.00 0.00 C ATOM 318 CD PRO A 24 10.561 12.757 0.090 1.00 0.00 C ATOM 0 HA PRO A 24 7.806 11.892 -0.949 1.00 0.00 H new ATOM 0 HB2 PRO A 24 7.897 11.990 1.887 1.00 0.00 H new ATOM 0 HB3 PRO A 24 8.606 10.729 0.898 1.00 0.00 H new ATOM 0 HG2 PRO A 24 10.022 13.140 2.175 1.00 0.00 H new ATOM 0 HG3 PRO A 24 10.665 11.533 1.900 1.00 0.00 H new ATOM 0 HD2 PRO A 24 11.327 13.527 0.183 1.00 0.00 H new ATOM 0 HD3 PRO A 24 11.011 11.923 -0.449 1.00 0.00 H new ATOM 326 N SER A 25 6.014 13.518 -0.642 1.00 0.00 N ATOM 327 CA SER A 25 4.909 14.439 -0.437 1.00 0.00 C ATOM 328 C SER A 25 4.590 14.552 1.055 1.00 0.00 C ATOM 329 O SER A 25 4.873 13.635 1.824 1.00 0.00 O ATOM 330 CB SER A 25 3.668 13.991 -1.212 1.00 0.00 C ATOM 331 OG SER A 25 2.716 13.348 -0.370 1.00 0.00 O ATOM 0 H SER A 25 5.877 12.850 -1.400 1.00 0.00 H new ATOM 0 HA SER A 25 5.206 15.418 -0.813 1.00 0.00 H new ATOM 0 HB2 SER A 25 3.206 14.856 -1.687 1.00 0.00 H new ATOM 0 HB3 SER A 25 3.965 13.310 -2.010 1.00 0.00 H new ATOM 0 HG SER A 25 2.564 12.433 -0.687 1.00 0.00 H new ATOM 337 N LYS A 26 4.007 15.684 1.419 1.00 0.00 N ATOM 338 CA LYS A 26 3.647 15.929 2.805 1.00 0.00 C ATOM 339 C LYS A 26 2.160 15.627 3.003 1.00 0.00 C ATOM 340 O LYS A 26 1.522 16.187 3.892 1.00 0.00 O ATOM 341 CB LYS A 26 4.047 17.346 3.221 1.00 0.00 C ATOM 342 CG LYS A 26 3.316 18.392 2.377 1.00 0.00 C ATOM 343 CD LYS A 26 4.308 19.272 1.615 1.00 0.00 C ATOM 344 CE LYS A 26 3.870 20.738 1.639 1.00 0.00 C ATOM 345 NZ LYS A 26 2.742 20.958 0.706 1.00 0.00 N ATOM 0 H LYS A 26 3.775 16.442 0.778 1.00 0.00 H new ATOM 0 HA LYS A 26 4.199 15.260 3.465 1.00 0.00 H new ATOM 0 HB2 LYS A 26 3.816 17.498 4.275 1.00 0.00 H new ATOM 0 HB3 LYS A 26 5.124 17.471 3.109 1.00 0.00 H new ATOM 0 HG2 LYS A 26 2.650 17.895 1.672 1.00 0.00 H new ATOM 0 HG3 LYS A 26 2.693 19.013 3.021 1.00 0.00 H new ATOM 0 HD2 LYS A 26 5.299 19.177 2.059 1.00 0.00 H new ATOM 0 HD3 LYS A 26 4.386 18.929 0.583 1.00 0.00 H new ATOM 0 HE2 LYS A 26 3.574 21.018 2.650 1.00 0.00 H new ATOM 0 HE3 LYS A 26 4.708 21.378 1.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 2.458 21.958 0.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 3.037 20.710 -0.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 1.938 20.361 0.987 1.00 0.00 H new ATOM 358 N ASP A 27 1.652 14.741 2.158 1.00 0.00 N ATOM 359 CA ASP A 27 0.252 14.358 2.229 1.00 0.00 C ATOM 360 C ASP A 27 0.130 12.847 2.020 1.00 0.00 C ATOM 361 O ASP A 27 -0.300 12.126 2.918 1.00 0.00 O ATOM 362 CB ASP A 27 -0.565 15.053 1.138 1.00 0.00 C ATOM 363 CG ASP A 27 0.152 15.213 -0.204 1.00 0.00 C ATOM 364 OD1 ASP A 27 0.818 16.229 -0.456 1.00 0.00 O ATOM 365 OD2 ASP A 27 0.004 14.227 -1.022 1.00 0.00 O ATOM 0 H ASP A 27 2.184 14.278 1.421 1.00 0.00 H new ATOM 0 HA ASP A 27 -0.129 14.652 3.207 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -1.483 14.488 0.977 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -0.857 16.040 1.497 1.00 0.00 H new ATOM 371 N GLY A 28 0.517 12.413 0.830 1.00 0.00 N ATOM 372 CA GLY A 28 0.457 11.002 0.491 1.00 0.00 C ATOM 373 C GLY A 28 -0.206 10.792 -0.872 1.00 0.00 C ATOM 374 O GLY A 28 0.233 9.953 -1.657 1.00 0.00 O ATOM 0 H GLY A 28 0.874 13.015 0.088 1.00 0.00 H new ATOM 0 HA2 GLY A 28 1.464 10.585 0.478 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -0.101 10.464 1.257 1.00 0.00 H new ATOM 378 N ALA A 29 -1.252 11.569 -1.111 1.00 0.00 N ATOM 379 CA ALA A 29 -1.979 11.479 -2.366 1.00 0.00 C ATOM 380 C ALA A 29 -0.983 11.439 -3.526 1.00 0.00 C ATOM 381 O ALA A 29 -1.014 10.559 -4.383 1.00 0.00 O ATOM 382 CB ALA A 29 -2.955 12.653 -2.476 1.00 0.00 C ATOM 0 H ALA A 29 -1.613 12.264 -0.457 1.00 0.00 H new ATOM 0 HA ALA A 29 -2.566 10.562 -2.404 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -3.500 12.586 -3.417 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -3.660 12.619 -1.645 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -2.401 13.591 -2.444 1.00 0.00 H new ATOM 388 N TYR A 30 -0.085 12.427 -3.534 1.00 0.00 N ATOM 389 CA TYR A 30 0.925 12.532 -4.567 1.00 0.00 C ATOM 390 C TYR A 30 1.622 11.191 -4.745 1.00 0.00 C ATOM 391 O TYR A 30 1.801 10.760 -5.884 1.00 0.00 O ATOM 392 CB TYR A 30 1.929 13.616 -4.186 1.00 0.00 C ATOM 393 CG TYR A 30 3.002 13.837 -5.226 1.00 0.00 C ATOM 394 CD1 TYR A 30 2.662 13.882 -6.583 1.00 0.00 C ATOM 395 CD2 TYR A 30 4.336 13.996 -4.832 1.00 0.00 C ATOM 396 CE1 TYR A 30 3.657 14.086 -7.547 1.00 0.00 C ATOM 397 CE2 TYR A 30 5.330 14.200 -5.796 1.00 0.00 C ATOM 398 CZ TYR A 30 4.991 14.245 -7.154 1.00 0.00 C ATOM 399 OH TYR A 30 5.960 14.444 -8.092 1.00 0.00 O ATOM 0 H TYR A 30 -0.044 13.164 -2.830 1.00 0.00 H new ATOM 0 HA TYR A 30 0.457 12.804 -5.513 1.00 0.00 H new ATOM 0 HB2 TYR A 30 1.396 14.552 -4.021 1.00 0.00 H new ATOM 0 HB3 TYR A 30 2.400 13.347 -3.241 1.00 0.00 H new ATOM 0 HD1 TYR A 30 1.633 13.759 -6.886 1.00 0.00 H new ATOM 0 HD2 TYR A 30 4.598 13.961 -3.785 1.00 0.00 H new ATOM 0 HE1 TYR A 30 3.395 14.121 -8.594 1.00 0.00 H new ATOM 0 HE2 TYR A 30 6.359 14.323 -5.492 1.00 0.00 H new ATOM 0 HH TYR A 30 6.830 14.536 -7.650 1.00 0.00 H new ATOM 409 N GLU A 31 1.996 10.564 -3.639 1.00 0.00 N ATOM 410 CA GLU A 31 2.669 9.278 -3.698 1.00 0.00 C ATOM 411 C GLU A 31 1.695 8.190 -4.155 1.00 0.00 C ATOM 412 O GLU A 31 2.000 7.423 -5.067 1.00 0.00 O ATOM 413 CB GLU A 31 3.293 8.923 -2.347 1.00 0.00 C ATOM 414 CG GLU A 31 4.458 9.859 -2.018 1.00 0.00 C ATOM 415 CD GLU A 31 5.525 9.137 -1.193 1.00 0.00 C ATOM 416 OE1 GLU A 31 5.844 7.972 -1.475 1.00 0.00 O ATOM 417 OE2 GLU A 31 6.029 9.829 -0.228 1.00 0.00 O ATOM 0 H GLU A 31 1.845 10.923 -2.696 1.00 0.00 H new ATOM 0 HA GLU A 31 3.476 9.345 -4.427 1.00 0.00 H new ATOM 0 HB2 GLU A 31 2.537 8.989 -1.565 1.00 0.00 H new ATOM 0 HB3 GLU A 31 3.644 7.891 -2.365 1.00 0.00 H new ATOM 0 HG2 GLU A 31 4.899 10.235 -2.941 1.00 0.00 H new ATOM 0 HG3 GLU A 31 4.090 10.724 -1.466 1.00 0.00 H new ATOM 425 N PHE A 32 0.543 8.159 -3.501 1.00 0.00 N ATOM 426 CA PHE A 32 -0.477 7.178 -3.829 1.00 0.00 C ATOM 427 C PHE A 32 -0.659 7.061 -5.343 1.00 0.00 C ATOM 428 O PHE A 32 -1.061 6.013 -5.845 1.00 0.00 O ATOM 429 CB PHE A 32 -1.786 7.669 -3.206 1.00 0.00 C ATOM 430 CG PHE A 32 -3.032 6.956 -3.734 1.00 0.00 C ATOM 431 CD1 PHE A 32 -3.158 5.609 -3.588 1.00 0.00 C ATOM 432 CD2 PHE A 32 -4.014 7.668 -4.349 1.00 0.00 C ATOM 433 CE1 PHE A 32 -4.315 4.947 -4.077 1.00 0.00 C ATOM 434 CE2 PHE A 32 -5.171 7.005 -4.839 1.00 0.00 C ATOM 435 CZ PHE A 32 -5.297 5.659 -4.693 1.00 0.00 C ATOM 0 H PHE A 32 0.294 8.798 -2.746 1.00 0.00 H new ATOM 0 HA PHE A 32 -0.187 6.199 -3.449 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -1.734 7.536 -2.125 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -1.886 8.738 -3.391 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -2.378 5.043 -3.100 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -3.914 8.737 -4.465 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -4.415 3.878 -3.960 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -5.951 7.570 -5.328 1.00 0.00 H new ATOM 0 HZ PHE A 32 -6.176 5.155 -5.066 1.00 0.00 H new ATOM 445 N GLU A 33 -0.354 8.153 -6.030 1.00 0.00 N ATOM 446 CA GLU A 33 -0.479 8.186 -7.477 1.00 0.00 C ATOM 447 C GLU A 33 0.552 7.257 -8.120 1.00 0.00 C ATOM 448 O GLU A 33 0.252 6.571 -9.096 1.00 0.00 O ATOM 449 CB GLU A 33 -0.337 9.614 -8.007 1.00 0.00 C ATOM 450 CG GLU A 33 -1.687 10.165 -8.471 1.00 0.00 C ATOM 451 CD GLU A 33 -1.761 10.220 -9.998 1.00 0.00 C ATOM 452 OE1 GLU A 33 -0.719 10.287 -10.667 1.00 0.00 O ATOM 453 OE2 GLU A 33 -2.954 10.190 -10.488 1.00 0.00 O ATOM 0 H GLU A 33 -0.021 9.021 -5.611 1.00 0.00 H new ATOM 0 HA GLU A 33 -1.475 7.832 -7.745 1.00 0.00 H new ATOM 0 HB2 GLU A 33 0.073 10.256 -7.227 1.00 0.00 H new ATOM 0 HB3 GLU A 33 0.370 9.629 -8.836 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -2.491 9.538 -8.087 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -1.837 11.163 -8.060 1.00 0.00 H new ATOM 461 N GLN A 34 1.747 7.265 -7.548 1.00 0.00 N ATOM 462 CA GLN A 34 2.825 6.432 -8.053 1.00 0.00 C ATOM 463 C GLN A 34 2.358 4.980 -8.180 1.00 0.00 C ATOM 464 O GLN A 34 2.746 4.279 -9.113 1.00 0.00 O ATOM 465 CB GLN A 34 4.062 6.534 -7.160 1.00 0.00 C ATOM 466 CG GLN A 34 4.676 7.934 -7.231 1.00 0.00 C ATOM 467 CD GLN A 34 4.778 8.414 -8.680 1.00 0.00 C ATOM 468 OE1 GLN A 34 5.114 7.669 -9.586 1.00 0.00 O ATOM 469 NE2 GLN A 34 4.472 9.698 -8.847 1.00 0.00 N ATOM 0 H GLN A 34 1.993 7.836 -6.739 1.00 0.00 H new ATOM 0 HA GLN A 34 3.103 6.792 -9.043 1.00 0.00 H new ATOM 0 HB2 GLN A 34 3.791 6.304 -6.130 1.00 0.00 H new ATOM 0 HB3 GLN A 34 4.800 5.793 -7.469 1.00 0.00 H new ATOM 0 HG2 GLN A 34 4.068 8.631 -6.655 1.00 0.00 H new ATOM 0 HG3 GLN A 34 5.667 7.924 -6.777 1.00 0.00 H new ATOM 0 HE21 GLN A 34 4.198 10.266 -8.045 1.00 0.00 H new ATOM 0 HE22 GLN A 34 4.511 10.115 -9.777 1.00 0.00 H new ATOM 478 N CYS A 35 1.532 4.572 -7.227 1.00 0.00 N ATOM 479 CA CYS A 35 1.009 3.217 -7.220 1.00 0.00 C ATOM 480 C CYS A 35 -0.239 3.179 -8.104 1.00 0.00 C ATOM 481 O CYS A 35 -1.284 2.681 -7.689 1.00 0.00 O ATOM 482 CB CYS A 35 0.716 2.730 -5.799 1.00 0.00 C ATOM 483 SG CYS A 35 1.673 3.574 -4.487 1.00 0.00 S ATOM 0 H CYS A 35 1.212 5.157 -6.455 1.00 0.00 H new ATOM 0 HA CYS A 35 1.758 2.534 -7.620 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -0.347 2.862 -5.596 1.00 0.00 H new ATOM 0 HB3 CYS A 35 0.920 1.660 -5.747 1.00 0.00 H new ATOM 488 N GLN A 36 -0.089 3.713 -9.308 1.00 0.00 N ATOM 489 CA GLN A 36 -1.191 3.747 -10.254 1.00 0.00 C ATOM 490 C GLN A 36 -0.666 3.622 -11.686 1.00 0.00 C ATOM 491 O GLN A 36 -0.981 4.448 -12.540 1.00 0.00 O ATOM 492 CB GLN A 36 -2.021 5.021 -10.084 1.00 0.00 C ATOM 493 CG GLN A 36 -3.513 4.694 -9.985 1.00 0.00 C ATOM 494 CD GLN A 36 -4.202 5.587 -8.952 1.00 0.00 C ATOM 495 OE1 GLN A 36 -4.814 5.125 -8.003 1.00 0.00 O ATOM 496 NE2 GLN A 36 -4.070 6.889 -9.188 1.00 0.00 N ATOM 0 H GLN A 36 0.779 4.125 -9.649 1.00 0.00 H new ATOM 0 HA GLN A 36 -1.844 2.898 -10.052 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -1.701 5.551 -9.187 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -1.846 5.688 -10.928 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -3.984 4.828 -10.959 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -3.642 3.647 -9.710 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -3.544 7.209 -10.001 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -4.495 7.568 -8.556 1.00 0.00 H new ATOM 505 N SER A 37 0.127 2.583 -11.903 1.00 0.00 N ATOM 506 CA SER A 37 0.699 2.339 -13.216 1.00 0.00 C ATOM 507 C SER A 37 1.023 0.853 -13.378 1.00 0.00 C ATOM 508 O SER A 37 0.303 0.128 -14.064 1.00 0.00 O ATOM 509 CB SER A 37 1.956 3.183 -13.434 1.00 0.00 C ATOM 510 OG SER A 37 2.638 2.827 -14.634 1.00 0.00 O ATOM 0 H SER A 37 0.387 1.900 -11.191 1.00 0.00 H new ATOM 0 HA SER A 37 -0.035 2.628 -13.968 1.00 0.00 H new ATOM 0 HB2 SER A 37 1.682 4.237 -13.472 1.00 0.00 H new ATOM 0 HB3 SER A 37 2.628 3.058 -12.585 1.00 0.00 H new ATOM 0 HG SER A 37 3.434 3.390 -14.737 1.00 0.00 H new ATOM 516 N CYS A 38 2.107 0.443 -12.736 1.00 0.00 N ATOM 517 CA CYS A 38 2.535 -0.944 -12.800 1.00 0.00 C ATOM 518 C CYS A 38 1.454 -1.811 -12.151 1.00 0.00 C ATOM 519 O CYS A 38 1.453 -3.031 -12.311 1.00 0.00 O ATOM 520 CB CYS A 38 3.901 -1.146 -12.141 1.00 0.00 C ATOM 521 SG CYS A 38 5.034 0.209 -12.620 1.00 0.00 S ATOM 0 H CYS A 38 2.702 1.047 -12.169 1.00 0.00 H new ATOM 0 HA CYS A 38 2.660 -1.241 -13.841 1.00 0.00 H new ATOM 0 HB2 CYS A 38 3.791 -1.173 -11.057 1.00 0.00 H new ATOM 0 HB3 CYS A 38 4.321 -2.106 -12.442 1.00 0.00 H new ATOM 526 N HIS A 39 0.561 -1.148 -11.433 1.00 0.00 N ATOM 527 CA HIS A 39 -0.523 -1.842 -10.759 1.00 0.00 C ATOM 528 C HIS A 39 -1.863 -1.389 -11.340 1.00 0.00 C ATOM 529 O HIS A 39 -2.385 -2.009 -12.266 1.00 0.00 O ATOM 530 CB HIS A 39 -0.436 -1.645 -9.244 1.00 0.00 C ATOM 531 CG HIS A 39 0.795 -2.253 -8.615 1.00 0.00 C ATOM 532 ND1 HIS A 39 1.083 -3.605 -8.686 1.00 0.00 N ATOM 533 CD2 HIS A 39 1.809 -1.680 -7.905 1.00 0.00 C ATOM 534 CE1 HIS A 39 2.220 -3.824 -8.043 1.00 0.00 C ATOM 535 NE2 HIS A 39 2.668 -2.630 -7.559 1.00 0.00 N ATOM 0 H HIS A 39 0.566 -0.136 -11.303 1.00 0.00 H new ATOM 0 HA HIS A 39 -0.436 -2.915 -10.933 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -0.454 -0.577 -9.025 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -1.321 -2.080 -8.780 1.00 0.00 H new ATOM 0 HD1 HIS A 39 0.516 -4.312 -9.154 1.00 0.00 H new ATOM 0 HD2 HIS A 39 1.898 -0.631 -7.665 1.00 0.00 H new ATOM 0 HE1 HIS A 39 2.707 -4.780 -7.923 1.00 0.00 H new ATOM 543 N GLY A 40 -2.383 -0.310 -10.773 1.00 0.00 N ATOM 544 CA GLY A 40 -3.653 0.234 -11.223 1.00 0.00 C ATOM 545 C GLY A 40 -4.417 0.875 -10.062 1.00 0.00 C ATOM 546 O GLY A 40 -3.818 1.275 -9.066 1.00 0.00 O ATOM 0 H GLY A 40 -1.948 0.202 -10.006 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -3.479 0.976 -12.002 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -4.256 -0.559 -11.666 1.00 0.00 H new ATOM 550 N SER A 41 -5.729 0.952 -10.231 1.00 0.00 N ATOM 551 CA SER A 41 -6.581 1.537 -9.210 1.00 0.00 C ATOM 552 C SER A 41 -7.310 0.434 -8.440 1.00 0.00 C ATOM 553 O SER A 41 -7.585 -0.632 -8.988 1.00 0.00 O ATOM 554 CB SER A 41 -7.590 2.509 -9.825 1.00 0.00 C ATOM 555 OG SER A 41 -7.017 3.276 -10.881 1.00 0.00 O ATOM 0 H SER A 41 -6.222 0.619 -11.059 1.00 0.00 H new ATOM 0 HA SER A 41 -5.950 2.097 -8.520 1.00 0.00 H new ATOM 0 HB2 SER A 41 -8.446 1.951 -10.205 1.00 0.00 H new ATOM 0 HB3 SER A 41 -7.965 3.180 -9.052 1.00 0.00 H new ATOM 0 HG SER A 41 -7.693 3.883 -11.249 1.00 0.00 H new ATOM 561 N LEU A 42 -7.601 0.728 -7.181 1.00 0.00 N ATOM 562 CA LEU A 42 -8.292 -0.227 -6.331 1.00 0.00 C ATOM 563 C LEU A 42 -9.614 -0.626 -6.989 1.00 0.00 C ATOM 564 O LEU A 42 -10.019 -1.785 -6.922 1.00 0.00 O ATOM 565 CB LEU A 42 -8.453 0.335 -4.917 1.00 0.00 C ATOM 566 CG LEU A 42 -7.171 0.818 -4.236 1.00 0.00 C ATOM 567 CD1 LEU A 42 -7.421 2.102 -3.443 1.00 0.00 C ATOM 568 CD2 LEU A 42 -6.563 -0.284 -3.367 1.00 0.00 C ATOM 0 H LEU A 42 -7.371 1.613 -6.729 1.00 0.00 H new ATOM 0 HA LEU A 42 -7.703 -1.138 -6.223 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -9.155 1.168 -4.956 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -8.905 -0.434 -4.291 1.00 0.00 H new ATOM 0 HG LEU A 42 -6.442 1.056 -5.011 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -6.494 2.423 -2.969 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -7.774 2.883 -4.117 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -8.174 1.916 -2.677 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -5.653 0.086 -2.895 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -7.278 -0.577 -2.598 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -6.324 -1.147 -3.988 1.00 0.00 H new ATOM 580 N ALA A 43 -10.250 0.357 -7.609 1.00 0.00 N ATOM 581 CA ALA A 43 -11.518 0.123 -8.279 1.00 0.00 C ATOM 582 C ALA A 43 -11.300 -0.831 -9.455 1.00 0.00 C ATOM 583 O ALA A 43 -12.260 -1.334 -10.037 1.00 0.00 O ATOM 584 CB ALA A 43 -12.120 1.460 -8.715 1.00 0.00 C ATOM 0 H ALA A 43 -9.911 1.318 -7.661 1.00 0.00 H new ATOM 0 HA ALA A 43 -12.229 -0.348 -7.601 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -13.071 1.284 -9.218 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -12.283 2.088 -7.839 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -11.435 1.961 -9.399 1.00 0.00 H new ATOM 590 N GLU A 44 -10.032 -1.050 -9.771 1.00 0.00 N ATOM 591 CA GLU A 44 -9.676 -1.935 -10.867 1.00 0.00 C ATOM 592 C GLU A 44 -9.078 -3.235 -10.328 1.00 0.00 C ATOM 593 O GLU A 44 -8.438 -3.982 -11.067 1.00 0.00 O ATOM 594 CB GLU A 44 -8.711 -1.247 -11.835 1.00 0.00 C ATOM 595 CG GLU A 44 -9.442 -0.772 -13.093 1.00 0.00 C ATOM 596 CD GLU A 44 -10.074 -1.949 -13.837 1.00 0.00 C ATOM 597 OE1 GLU A 44 -11.270 -2.223 -13.662 1.00 0.00 O ATOM 598 OE2 GLU A 44 -9.276 -2.589 -14.623 1.00 0.00 O ATOM 0 H GLU A 44 -9.238 -0.630 -9.287 1.00 0.00 H new ATOM 0 HA GLU A 44 -10.583 -2.178 -11.421 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -8.239 -0.397 -11.341 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -7.914 -1.937 -12.112 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -10.214 -0.053 -12.820 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -8.743 -0.255 -13.750 1.00 0.00 H new ATOM 606 N MET A 45 -9.307 -3.467 -9.043 1.00 0.00 N ATOM 607 CA MET A 45 -8.798 -4.664 -8.396 1.00 0.00 C ATOM 608 C MET A 45 -9.943 -5.579 -7.959 1.00 0.00 C ATOM 609 O MET A 45 -11.103 -5.324 -8.277 1.00 0.00 O ATOM 610 CB MET A 45 -7.964 -4.270 -7.175 1.00 0.00 C ATOM 611 CG MET A 45 -6.768 -3.407 -7.584 1.00 0.00 C ATOM 612 SD MET A 45 -5.564 -3.371 -6.267 1.00 0.00 S ATOM 613 CE MET A 45 -4.544 -2.013 -6.816 1.00 0.00 C ATOM 0 H MET A 45 -9.838 -2.846 -8.433 1.00 0.00 H new ATOM 0 HA MET A 45 -8.178 -5.205 -9.111 1.00 0.00 H new ATOM 0 HB2 MET A 45 -8.586 -3.724 -6.466 1.00 0.00 H new ATOM 0 HB3 MET A 45 -7.613 -5.167 -6.665 1.00 0.00 H new ATOM 0 HG2 MET A 45 -6.315 -3.806 -8.492 1.00 0.00 H new ATOM 0 HG3 MET A 45 -7.101 -2.394 -7.812 1.00 0.00 H new ATOM 0 HE1 MET A 45 -4.286 -1.384 -5.964 1.00 0.00 H new ATOM 0 HE2 MET A 45 -3.632 -2.403 -7.268 1.00 0.00 H new ATOM 0 HE3 MET A 45 -5.090 -1.422 -7.551 1.00 0.00 H new ATOM 623 N ASP A 46 -9.577 -6.627 -7.235 1.00 0.00 N ATOM 624 CA ASP A 46 -10.559 -7.582 -6.750 1.00 0.00 C ATOM 625 C ASP A 46 -11.686 -6.831 -6.037 1.00 0.00 C ATOM 626 O ASP A 46 -11.662 -5.604 -5.953 1.00 0.00 O ATOM 627 CB ASP A 46 -9.934 -8.556 -5.751 1.00 0.00 C ATOM 628 CG ASP A 46 -8.501 -8.221 -5.330 1.00 0.00 C ATOM 629 OD1 ASP A 46 -8.243 -7.864 -4.171 1.00 0.00 O ATOM 630 OD2 ASP A 46 -7.618 -8.340 -6.262 1.00 0.00 O ATOM 0 H ASP A 46 -8.614 -6.836 -6.973 1.00 0.00 H new ATOM 0 HA ASP A 46 -10.939 -8.139 -7.607 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -10.560 -8.590 -4.859 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -9.945 -9.555 -6.186 1.00 0.00 H new ATOM 636 N ASP A 47 -12.645 -7.599 -5.541 1.00 0.00 N ATOM 637 CA ASP A 47 -13.777 -7.022 -4.838 1.00 0.00 C ATOM 638 C ASP A 47 -13.390 -6.764 -3.381 1.00 0.00 C ATOM 639 O ASP A 47 -14.241 -6.431 -2.558 1.00 0.00 O ATOM 640 CB ASP A 47 -14.975 -7.973 -4.848 1.00 0.00 C ATOM 641 CG ASP A 47 -16.343 -7.292 -4.775 1.00 0.00 C ATOM 642 OD1 ASP A 47 -17.003 -7.294 -3.725 1.00 0.00 O ATOM 643 OD2 ASP A 47 -16.733 -6.734 -5.871 1.00 0.00 O ATOM 0 H ASP A 47 -12.661 -8.616 -5.612 1.00 0.00 H new ATOM 0 HA ASP A 47 -14.049 -6.095 -5.342 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -14.934 -8.575 -5.756 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -14.882 -8.659 -4.006 1.00 0.00 H new ATOM 649 N ASN A 48 -12.104 -6.929 -3.105 1.00 0.00 N ATOM 650 CA ASN A 48 -11.594 -6.719 -1.762 1.00 0.00 C ATOM 651 C ASN A 48 -10.902 -5.356 -1.691 1.00 0.00 C ATOM 652 O ASN A 48 -10.976 -4.671 -0.672 1.00 0.00 O ATOM 653 CB ASN A 48 -10.566 -7.790 -1.389 1.00 0.00 C ATOM 654 CG ASN A 48 -11.110 -9.192 -1.668 1.00 0.00 C ATOM 655 OD1 ASN A 48 -12.254 -9.378 -2.050 1.00 0.00 O ATOM 656 ND2 ASN A 48 -10.230 -10.166 -1.456 1.00 0.00 N ATOM 0 H ASN A 48 -11.401 -7.206 -3.790 1.00 0.00 H new ATOM 0 HA ASN A 48 -12.435 -6.769 -1.071 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -9.649 -7.632 -1.956 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -10.308 -7.699 -0.334 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -10.497 -11.138 -1.613 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -9.288 -9.941 -1.136 1.00 0.00 H new ATOM 663 N HIS A 49 -10.246 -5.003 -2.786 1.00 0.00 N ATOM 664 CA HIS A 49 -9.542 -3.734 -2.861 1.00 0.00 C ATOM 665 C HIS A 49 -10.522 -2.626 -3.254 1.00 0.00 C ATOM 666 O HIS A 49 -10.349 -1.473 -2.865 1.00 0.00 O ATOM 667 CB HIS A 49 -8.346 -3.832 -3.810 1.00 0.00 C ATOM 668 CG HIS A 49 -7.116 -4.447 -3.186 1.00 0.00 C ATOM 669 ND1 HIS A 49 -6.960 -5.812 -3.026 1.00 0.00 N ATOM 670 CD2 HIS A 49 -5.986 -3.869 -2.686 1.00 0.00 C ATOM 671 CE1 HIS A 49 -5.786 -6.035 -2.453 1.00 0.00 C ATOM 672 NE2 HIS A 49 -5.184 -4.829 -2.243 1.00 0.00 N ATOM 0 H HIS A 49 -10.187 -5.574 -3.629 1.00 0.00 H new ATOM 0 HA HIS A 49 -9.135 -3.481 -1.882 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -8.633 -4.422 -4.680 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -8.098 -2.833 -4.170 1.00 0.00 H new ATOM 0 HD1 HIS A 49 -7.634 -6.526 -3.302 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -5.779 -2.809 -2.656 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -5.378 -7.002 -2.197 1.00 0.00 H new ATOM 680 N LYS A 50 -11.530 -3.016 -4.021 1.00 0.00 N ATOM 681 CA LYS A 50 -12.537 -2.071 -4.471 1.00 0.00 C ATOM 682 C LYS A 50 -13.187 -1.408 -3.255 1.00 0.00 C ATOM 683 O LYS A 50 -13.110 -0.198 -3.053 1.00 0.00 O ATOM 684 CB LYS A 50 -13.536 -2.757 -5.405 1.00 0.00 C ATOM 685 CG LYS A 50 -14.893 -2.050 -5.371 1.00 0.00 C ATOM 686 CD LYS A 50 -15.587 -2.129 -6.732 1.00 0.00 C ATOM 687 CE LYS A 50 -15.315 -3.475 -7.408 1.00 0.00 C ATOM 688 NZ LYS A 50 -16.411 -3.817 -8.341 1.00 0.00 N ATOM 0 H LYS A 50 -11.670 -3.974 -4.342 1.00 0.00 H new ATOM 0 HA LYS A 50 -12.078 -1.277 -5.060 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -13.147 -2.756 -6.423 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -13.658 -3.800 -5.111 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -15.526 -2.506 -4.609 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -14.756 -1.006 -5.089 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -16.661 -1.992 -6.605 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -15.235 -1.319 -7.371 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -14.369 -3.433 -7.948 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -15.216 -4.255 -6.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -16.211 -4.733 -8.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -17.307 -3.878 -7.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -16.487 -3.081 -9.072 1.00 0.00 H new ATOM 701 N PRO A 51 -13.838 -2.240 -2.439 1.00 0.00 N ATOM 702 CA PRO A 51 -14.523 -1.829 -1.232 1.00 0.00 C ATOM 703 C PRO A 51 -13.778 -0.665 -0.593 1.00 0.00 C ATOM 704 O PRO A 51 -14.426 0.270 -0.127 1.00 0.00 O ATOM 705 CB PRO A 51 -14.494 -3.060 -0.328 1.00 0.00 C ATOM 706 CG PRO A 51 -14.489 -4.217 -1.329 1.00 0.00 C ATOM 707 CD PRO A 51 -13.948 -3.667 -2.647 1.00 0.00 C ATOM 0 HA PRO A 51 -15.543 -1.491 -1.416 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -13.610 -3.073 0.309 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -15.362 -3.099 0.330 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -13.866 -5.036 -0.969 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -15.495 -4.616 -1.462 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -12.981 -4.106 -2.891 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -14.619 -3.895 -3.475 1.00 0.00 H new ATOM 715 N HIS A 52 -12.455 -0.742 -0.581 1.00 0.00 N ATOM 716 CA HIS A 52 -11.650 0.315 0.006 1.00 0.00 C ATOM 717 C HIS A 52 -11.446 1.434 -1.018 1.00 0.00 C ATOM 718 O HIS A 52 -11.523 2.614 -0.677 1.00 0.00 O ATOM 719 CB HIS A 52 -10.332 -0.242 0.546 1.00 0.00 C ATOM 720 CG HIS A 52 -10.497 -1.202 1.699 1.00 0.00 C ATOM 721 ND1 HIS A 52 -10.116 -2.531 1.629 1.00 0.00 N ATOM 722 CD2 HIS A 52 -11.005 -1.013 2.951 1.00 0.00 C ATOM 723 CE1 HIS A 52 -10.388 -3.106 2.791 1.00 0.00 C ATOM 724 NE2 HIS A 52 -10.939 -2.164 3.609 1.00 0.00 N ATOM 0 H HIS A 52 -11.921 -1.520 -0.968 1.00 0.00 H new ATOM 0 HA HIS A 52 -12.173 0.743 0.861 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -9.805 -0.749 -0.263 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -9.702 0.588 0.865 1.00 0.00 H new ATOM 0 HD1 HIS A 52 -9.697 -2.990 0.820 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -11.395 -0.084 3.341 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -10.205 -4.139 3.046 1.00 0.00 H new ATOM 732 N ASP A 53 -11.190 1.024 -2.251 1.00 0.00 N ATOM 733 CA ASP A 53 -10.974 1.977 -3.327 1.00 0.00 C ATOM 734 C ASP A 53 -11.698 3.284 -2.997 1.00 0.00 C ATOM 735 O ASP A 53 -12.913 3.382 -3.157 1.00 0.00 O ATOM 736 CB ASP A 53 -11.531 1.449 -4.650 1.00 0.00 C ATOM 737 CG ASP A 53 -11.307 2.363 -5.857 1.00 0.00 C ATOM 738 OD1 ASP A 53 -10.177 2.507 -6.347 1.00 0.00 O ATOM 739 OD2 ASP A 53 -12.367 2.949 -6.301 1.00 0.00 O ATOM 0 H ASP A 53 -11.127 0.045 -2.529 1.00 0.00 H new ATOM 0 HA ASP A 53 -9.900 2.137 -3.426 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -11.076 0.480 -4.857 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -12.602 1.280 -4.535 1.00 0.00 H new ATOM 745 N GLY A 54 -10.919 4.255 -2.543 1.00 0.00 N ATOM 746 CA GLY A 54 -11.471 5.552 -2.189 1.00 0.00 C ATOM 747 C GLY A 54 -11.754 5.637 -0.688 1.00 0.00 C ATOM 748 O GLY A 54 -12.867 5.965 -0.280 1.00 0.00 O ATOM 0 H GLY A 54 -9.911 4.170 -2.412 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -10.773 6.339 -2.476 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -12.392 5.724 -2.746 1.00 0.00 H new ATOM 752 N LEU A 55 -10.727 5.335 0.094 1.00 0.00 N ATOM 753 CA LEU A 55 -10.852 5.373 1.541 1.00 0.00 C ATOM 754 C LEU A 55 -9.463 5.527 2.164 1.00 0.00 C ATOM 755 O LEU A 55 -9.160 6.556 2.766 1.00 0.00 O ATOM 756 CB LEU A 55 -11.620 4.149 2.045 1.00 0.00 C ATOM 757 CG LEU A 55 -13.140 4.298 2.126 1.00 0.00 C ATOM 758 CD1 LEU A 55 -13.783 3.043 2.720 1.00 0.00 C ATOM 759 CD2 LEU A 55 -13.527 5.561 2.899 1.00 0.00 C ATOM 0 H LEU A 55 -9.805 5.063 -0.248 1.00 0.00 H new ATOM 0 HA LEU A 55 -11.439 6.238 1.850 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -11.392 3.307 1.391 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -11.246 3.893 3.037 1.00 0.00 H new ATOM 0 HG LEU A 55 -13.527 4.409 1.113 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -14.864 3.175 2.766 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -13.549 2.183 2.093 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -13.394 2.876 3.725 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -14.613 5.643 2.942 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -13.127 5.505 3.911 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -13.117 6.436 2.395 1.00 0.00 H new ATOM 771 N LEU A 56 -8.657 4.489 1.999 1.00 0.00 N ATOM 772 CA LEU A 56 -7.307 4.496 2.537 1.00 0.00 C ATOM 773 C LEU A 56 -6.313 4.195 1.414 1.00 0.00 C ATOM 774 O LEU A 56 -6.642 3.492 0.461 1.00 0.00 O ATOM 775 CB LEU A 56 -7.200 3.539 3.726 1.00 0.00 C ATOM 776 CG LEU A 56 -6.977 2.065 3.383 1.00 0.00 C ATOM 777 CD1 LEU A 56 -5.937 1.436 4.311 1.00 0.00 C ATOM 778 CD2 LEU A 56 -8.298 1.293 3.396 1.00 0.00 C ATOM 0 H LEU A 56 -8.913 3.637 1.500 1.00 0.00 H new ATOM 0 HA LEU A 56 -7.057 5.483 2.927 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -6.380 3.872 4.362 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -8.113 3.620 4.316 1.00 0.00 H new ATOM 0 HG LEU A 56 -6.580 2.007 2.370 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -5.798 0.388 4.045 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -4.990 1.965 4.208 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -6.281 1.506 5.343 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -8.111 0.248 3.149 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -8.747 1.357 4.387 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -8.978 1.723 2.661 1.00 0.00 H new ATOM 790 N MET A 57 -5.116 4.743 1.565 1.00 0.00 N ATOM 791 CA MET A 57 -4.071 4.543 0.575 1.00 0.00 C ATOM 792 C MET A 57 -3.493 3.129 0.667 1.00 0.00 C ATOM 793 O MET A 57 -3.794 2.391 1.604 1.00 0.00 O ATOM 794 CB MET A 57 -2.955 5.566 0.796 1.00 0.00 C ATOM 795 CG MET A 57 -3.399 6.964 0.361 1.00 0.00 C ATOM 796 SD MET A 57 -3.424 8.062 1.768 1.00 0.00 S ATOM 797 CE MET A 57 -4.982 8.888 1.490 1.00 0.00 C ATOM 0 H MET A 57 -4.847 5.325 2.358 1.00 0.00 H new ATOM 0 HA MET A 57 -4.505 4.675 -0.416 1.00 0.00 H new ATOM 0 HB2 MET A 57 -2.674 5.581 1.849 1.00 0.00 H new ATOM 0 HB3 MET A 57 -2.069 5.270 0.234 1.00 0.00 H new ATOM 0 HG2 MET A 57 -2.720 7.350 -0.400 1.00 0.00 H new ATOM 0 HG3 MET A 57 -4.390 6.916 -0.091 1.00 0.00 H new ATOM 0 HE1 MET A 57 -5.156 9.614 2.284 1.00 0.00 H new ATOM 0 HE2 MET A 57 -4.955 9.401 0.529 1.00 0.00 H new ATOM 0 HE3 MET A 57 -5.788 8.154 1.487 1.00 0.00 H new ATOM 807 N CYS A 58 -2.674 2.794 -0.319 1.00 0.00 N ATOM 808 CA CYS A 58 -2.052 1.482 -0.362 1.00 0.00 C ATOM 809 C CYS A 58 -1.180 1.323 0.886 1.00 0.00 C ATOM 810 O CYS A 58 -1.498 0.532 1.773 1.00 0.00 O ATOM 811 CB CYS A 58 -1.249 1.278 -1.648 1.00 0.00 C ATOM 812 SG CYS A 58 -2.085 1.848 -3.173 1.00 0.00 S ATOM 0 H CYS A 58 -2.427 3.409 -1.094 1.00 0.00 H new ATOM 0 HA CYS A 58 -2.823 0.711 -0.367 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -0.299 1.803 -1.553 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -1.018 0.218 -1.751 1.00 0.00 H new ATOM 817 N ALA A 59 -0.098 2.087 0.914 1.00 0.00 N ATOM 818 CA ALA A 59 0.821 2.041 2.038 1.00 0.00 C ATOM 819 C ALA A 59 0.025 1.913 3.338 1.00 0.00 C ATOM 820 O ALA A 59 0.275 1.012 4.137 1.00 0.00 O ATOM 821 CB ALA A 59 1.712 3.284 2.020 1.00 0.00 C ATOM 0 H ALA A 59 0.163 2.741 0.176 1.00 0.00 H new ATOM 0 HA ALA A 59 1.473 1.171 1.964 1.00 0.00 H new ATOM 0 HB1 ALA A 59 2.402 3.250 2.863 1.00 0.00 H new ATOM 0 HB2 ALA A 59 2.278 3.312 1.089 1.00 0.00 H new ATOM 0 HB3 ALA A 59 1.092 4.177 2.095 1.00 0.00 H new ATOM 827 N ASP A 60 -0.918 2.828 3.509 1.00 0.00 N ATOM 828 CA ASP A 60 -1.753 2.829 4.699 1.00 0.00 C ATOM 829 C ASP A 60 -2.053 1.385 5.107 1.00 0.00 C ATOM 830 O ASP A 60 -2.203 1.090 6.292 1.00 0.00 O ATOM 831 CB ASP A 60 -3.086 3.532 4.435 1.00 0.00 C ATOM 832 CG ASP A 60 -2.980 5.030 4.142 1.00 0.00 C ATOM 833 OD1 ASP A 60 -1.883 5.560 3.911 1.00 0.00 O ATOM 834 OD2 ASP A 60 -4.101 5.669 4.158 1.00 0.00 O ATOM 0 H ASP A 60 -1.123 3.574 2.844 1.00 0.00 H new ATOM 0 HA ASP A 60 -1.217 3.357 5.488 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -3.575 3.046 3.591 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -3.732 3.391 5.302 1.00 0.00 H new ATOM 840 N CYS A 61 -2.131 0.524 4.103 1.00 0.00 N ATOM 841 CA CYS A 61 -2.410 -0.882 4.343 1.00 0.00 C ATOM 842 C CYS A 61 -1.119 -1.673 4.121 1.00 0.00 C ATOM 843 O CYS A 61 -0.728 -2.479 4.963 1.00 0.00 O ATOM 844 CB CYS A 61 -3.550 -1.391 3.460 1.00 0.00 C ATOM 845 SG CYS A 61 -5.023 -1.752 4.484 1.00 0.00 S ATOM 0 H CYS A 61 -2.006 0.773 3.122 1.00 0.00 H new ATOM 0 HA CYS A 61 -2.746 -1.018 5.371 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -3.796 -0.645 2.704 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -3.236 -2.290 2.930 1.00 0.00 H new ATOM 850 N HIS A 62 -0.493 -1.414 2.983 1.00 0.00 N ATOM 851 CA HIS A 62 0.746 -2.091 2.639 1.00 0.00 C ATOM 852 C HIS A 62 1.934 -1.293 3.178 1.00 0.00 C ATOM 853 O HIS A 62 2.820 -0.902 2.419 1.00 0.00 O ATOM 854 CB HIS A 62 0.831 -2.336 1.131 1.00 0.00 C ATOM 855 CG HIS A 62 -0.210 -3.296 0.605 1.00 0.00 C ATOM 856 ND1 HIS A 62 -0.299 -4.611 1.027 1.00 0.00 N ATOM 857 CD2 HIS A 62 -1.204 -3.117 -0.312 1.00 0.00 C ATOM 858 CE1 HIS A 62 -1.304 -5.188 0.386 1.00 0.00 C ATOM 859 NE2 HIS A 62 -1.864 -4.261 -0.443 1.00 0.00 N ATOM 0 H HIS A 62 -0.821 -0.744 2.287 1.00 0.00 H new ATOM 0 HA HIS A 62 0.770 -3.074 3.110 1.00 0.00 H new ATOM 0 HB2 HIS A 62 0.727 -1.383 0.612 1.00 0.00 H new ATOM 0 HB3 HIS A 62 1.821 -2.723 0.891 1.00 0.00 H new ATOM 0 HD1 HIS A 62 0.306 -5.059 1.715 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -1.418 -2.200 -0.841 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -1.624 -6.213 0.500 1.00 0.00 H new ATOM 867 N ALA A 63 1.915 -1.074 4.484 1.00 0.00 N ATOM 868 CA ALA A 63 2.980 -0.329 5.134 1.00 0.00 C ATOM 869 C ALA A 63 4.320 -0.702 4.497 1.00 0.00 C ATOM 870 O ALA A 63 4.948 -1.702 4.838 1.00 0.00 O ATOM 871 CB ALA A 63 2.952 -0.605 6.639 1.00 0.00 C ATOM 0 H ALA A 63 1.179 -1.399 5.110 1.00 0.00 H new ATOM 0 HA ALA A 63 2.837 0.743 4.997 1.00 0.00 H new ATOM 0 HB1 ALA A 63 3.751 -0.046 7.126 1.00 0.00 H new ATOM 0 HB2 ALA A 63 1.990 -0.295 7.048 1.00 0.00 H new ATOM 0 HB3 ALA A 63 3.095 -1.671 6.816 1.00 0.00 H new ATOM 877 N PRO A 64 4.748 0.136 3.551 1.00 0.00 N ATOM 878 CA PRO A 64 5.987 -0.023 2.820 1.00 0.00 C ATOM 879 C PRO A 64 7.164 0.111 3.775 1.00 0.00 C ATOM 880 O PRO A 64 7.967 -0.817 3.861 1.00 0.00 O ATOM 881 CB PRO A 64 5.984 1.108 1.793 1.00 0.00 C ATOM 882 CG PRO A 64 4.500 1.569 1.692 1.00 0.00 C ATOM 883 CD PRO A 64 4.035 1.321 3.125 1.00 0.00 C ATOM 0 HA PRO A 64 6.075 -0.998 2.341 1.00 0.00 H new ATOM 0 HB2 PRO A 64 6.630 1.927 2.109 1.00 0.00 H new ATOM 0 HB3 PRO A 64 6.355 0.764 0.828 1.00 0.00 H new ATOM 0 HG2 PRO A 64 4.410 2.616 1.402 1.00 0.00 H new ATOM 0 HG3 PRO A 64 3.933 0.987 0.965 1.00 0.00 H new ATOM 0 HD2 PRO A 64 4.264 2.172 3.767 1.00 0.00 H new ATOM 0 HD3 PRO A 64 2.956 1.170 3.169 1.00 0.00 H new ATOM 891 N HIS A 65 7.247 1.242 4.461 1.00 0.00 N ATOM 892 CA HIS A 65 8.333 1.470 5.398 1.00 0.00 C ATOM 893 C HIS A 65 8.005 0.805 6.737 1.00 0.00 C ATOM 894 O HIS A 65 8.004 1.462 7.777 1.00 0.00 O ATOM 895 CB HIS A 65 8.626 2.966 5.536 1.00 0.00 C ATOM 896 CG HIS A 65 9.270 3.580 4.316 1.00 0.00 C ATOM 897 ND1 HIS A 65 10.426 3.077 3.745 1.00 0.00 N ATOM 898 CD2 HIS A 65 8.908 4.659 3.565 1.00 0.00 C ATOM 899 CE1 HIS A 65 10.737 3.827 2.698 1.00 0.00 C ATOM 900 NE2 HIS A 65 9.795 4.808 2.589 1.00 0.00 N ATOM 0 H HIS A 65 6.580 2.010 4.386 1.00 0.00 H new ATOM 0 HA HIS A 65 9.247 1.012 5.019 1.00 0.00 H new ATOM 0 HB2 HIS A 65 7.694 3.491 5.745 1.00 0.00 H new ATOM 0 HB3 HIS A 65 9.278 3.120 6.395 1.00 0.00 H new ATOM 0 HD1 HIS A 65 10.950 2.266 4.074 1.00 0.00 H new ATOM 0 HD2 HIS A 65 8.045 5.286 3.736 1.00 0.00 H new ATOM 0 HE1 HIS A 65 11.586 3.687 2.046 1.00 0.00 H new ATOM 908 N GLU A 66 7.734 -0.490 6.667 1.00 0.00 N ATOM 909 CA GLU A 66 7.406 -1.251 7.860 1.00 0.00 C ATOM 910 C GLU A 66 7.129 -2.712 7.497 1.00 0.00 C ATOM 911 O GLU A 66 7.846 -3.610 7.935 1.00 0.00 O ATOM 912 CB GLU A 66 6.214 -0.633 8.594 1.00 0.00 C ATOM 913 CG GLU A 66 5.831 -1.467 9.818 1.00 0.00 C ATOM 914 CD GLU A 66 4.934 -0.669 10.766 1.00 0.00 C ATOM 915 OE1 GLU A 66 5.438 0.000 11.681 1.00 0.00 O ATOM 916 OE2 GLU A 66 3.670 -0.760 10.526 1.00 0.00 O ATOM 0 H GLU A 66 7.735 -1.031 5.803 1.00 0.00 H new ATOM 0 HA GLU A 66 8.262 -1.220 8.535 1.00 0.00 H new ATOM 0 HB2 GLU A 66 6.460 0.383 8.904 1.00 0.00 H new ATOM 0 HB3 GLU A 66 5.363 -0.562 7.917 1.00 0.00 H new ATOM 0 HG2 GLU A 66 5.314 -2.372 9.499 1.00 0.00 H new ATOM 0 HG3 GLU A 66 6.732 -1.783 10.344 1.00 0.00 H new ATOM 924 N ALA A 67 6.087 -2.904 6.702 1.00 0.00 N ATOM 925 CA ALA A 67 5.706 -4.240 6.276 1.00 0.00 C ATOM 926 C ALA A 67 6.847 -4.856 5.464 1.00 0.00 C ATOM 927 O ALA A 67 7.713 -4.141 4.963 1.00 0.00 O ATOM 928 CB ALA A 67 4.399 -4.170 5.484 1.00 0.00 C ATOM 0 H ALA A 67 5.494 -2.156 6.341 1.00 0.00 H new ATOM 0 HA ALA A 67 5.530 -4.883 7.139 1.00 0.00 H new ATOM 0 HB1 ALA A 67 4.113 -5.172 5.164 1.00 0.00 H new ATOM 0 HB2 ALA A 67 3.614 -3.752 6.114 1.00 0.00 H new ATOM 0 HB3 ALA A 67 4.538 -3.536 4.608 1.00 0.00 H new ATOM 934 N LYS A 68 6.811 -6.176 5.361 1.00 0.00 N ATOM 935 CA LYS A 68 7.832 -6.897 4.619 1.00 0.00 C ATOM 936 C LYS A 68 7.161 -7.790 3.573 1.00 0.00 C ATOM 937 O LYS A 68 6.213 -8.510 3.883 1.00 0.00 O ATOM 938 CB LYS A 68 8.754 -7.656 5.575 1.00 0.00 C ATOM 939 CG LYS A 68 9.205 -6.759 6.729 1.00 0.00 C ATOM 940 CD LYS A 68 8.934 -7.425 8.080 1.00 0.00 C ATOM 941 CE LYS A 68 9.696 -6.719 9.202 1.00 0.00 C ATOM 942 NZ LYS A 68 8.794 -6.429 10.339 1.00 0.00 N ATOM 0 H LYS A 68 6.091 -6.766 5.779 1.00 0.00 H new ATOM 0 HA LYS A 68 8.474 -6.201 4.080 1.00 0.00 H new ATOM 0 HB2 LYS A 68 8.235 -8.529 5.970 1.00 0.00 H new ATOM 0 HB3 LYS A 68 9.625 -8.022 5.032 1.00 0.00 H new ATOM 0 HG2 LYS A 68 10.269 -6.544 6.633 1.00 0.00 H new ATOM 0 HG3 LYS A 68 8.681 -5.805 6.679 1.00 0.00 H new ATOM 0 HD2 LYS A 68 7.865 -7.403 8.292 1.00 0.00 H new ATOM 0 HD3 LYS A 68 9.230 -8.473 8.038 1.00 0.00 H new ATOM 0 HE2 LYS A 68 10.523 -7.344 9.537 1.00 0.00 H new ATOM 0 HE3 LYS A 68 10.129 -5.791 8.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 9.328 -5.950 11.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 8.019 -5.814 10.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 8.401 -7.319 10.706 1.00 0.00 H new ATOM 955 N VAL A 69 7.679 -7.714 2.356 1.00 0.00 N ATOM 956 CA VAL A 69 7.142 -8.506 1.263 1.00 0.00 C ATOM 957 C VAL A 69 6.717 -9.877 1.793 1.00 0.00 C ATOM 958 O VAL A 69 7.465 -10.522 2.526 1.00 0.00 O ATOM 959 CB VAL A 69 8.165 -8.595 0.129 1.00 0.00 C ATOM 960 CG1 VAL A 69 7.986 -9.886 -0.671 1.00 0.00 C ATOM 961 CG2 VAL A 69 8.081 -7.369 -0.783 1.00 0.00 C ATOM 0 H VAL A 69 8.465 -7.116 2.103 1.00 0.00 H new ATOM 0 HA VAL A 69 6.255 -8.029 0.846 1.00 0.00 H new ATOM 0 HB VAL A 69 9.159 -8.613 0.576 1.00 0.00 H new ATOM 0 HG11 VAL A 69 8.726 -9.924 -1.471 1.00 0.00 H new ATOM 0 HG12 VAL A 69 8.120 -10.744 -0.012 1.00 0.00 H new ATOM 0 HG13 VAL A 69 6.985 -9.912 -1.101 1.00 0.00 H new ATOM 0 HG21 VAL A 69 8.819 -7.458 -1.581 1.00 0.00 H new ATOM 0 HG22 VAL A 69 7.083 -7.306 -1.217 1.00 0.00 H new ATOM 0 HG23 VAL A 69 8.281 -6.469 -0.202 1.00 0.00 H new ATOM 971 N GLY A 70 5.517 -10.281 1.402 1.00 0.00 N ATOM 972 CA GLY A 70 4.984 -11.563 1.829 1.00 0.00 C ATOM 973 C GLY A 70 4.320 -11.451 3.203 1.00 0.00 C ATOM 974 O GLY A 70 4.416 -12.366 4.020 1.00 0.00 O ATOM 0 H GLY A 70 4.899 -9.743 0.794 1.00 0.00 H new ATOM 0 HA2 GLY A 70 4.258 -11.921 1.099 1.00 0.00 H new ATOM 0 HA3 GLY A 70 5.786 -12.300 1.868 1.00 0.00 H new ATOM 978 N GLU A 71 3.661 -10.322 3.416 1.00 0.00 N ATOM 979 CA GLU A 71 2.981 -10.078 4.677 1.00 0.00 C ATOM 980 C GLU A 71 1.600 -9.470 4.426 1.00 0.00 C ATOM 981 O GLU A 71 1.479 -8.268 4.193 1.00 0.00 O ATOM 982 CB GLU A 71 3.819 -9.178 5.587 1.00 0.00 C ATOM 983 CG GLU A 71 3.191 -9.065 6.977 1.00 0.00 C ATOM 984 CD GLU A 71 2.766 -7.625 7.272 1.00 0.00 C ATOM 985 OE1 GLU A 71 3.278 -7.010 8.219 1.00 0.00 O ATOM 986 OE2 GLU A 71 1.872 -7.146 6.476 1.00 0.00 O ATOM 0 H GLU A 71 3.583 -9.565 2.736 1.00 0.00 H new ATOM 0 HA GLU A 71 2.849 -11.032 5.187 1.00 0.00 H new ATOM 0 HB2 GLU A 71 4.829 -9.580 5.672 1.00 0.00 H new ATOM 0 HB3 GLU A 71 3.907 -8.187 5.142 1.00 0.00 H new ATOM 0 HG2 GLU A 71 2.325 -9.724 7.043 1.00 0.00 H new ATOM 0 HG3 GLU A 71 3.904 -9.399 7.730 1.00 0.00 H new ATOM 994 N LYS A 72 0.592 -10.328 4.483 1.00 0.00 N ATOM 995 CA LYS A 72 -0.777 -9.891 4.266 1.00 0.00 C ATOM 996 C LYS A 72 -1.301 -9.219 5.536 1.00 0.00 C ATOM 997 O LYS A 72 -1.440 -9.835 6.590 1.00 0.00 O ATOM 998 CB LYS A 72 -1.642 -11.057 3.785 1.00 0.00 C ATOM 999 CG LYS A 72 -1.959 -12.015 4.935 1.00 0.00 C ATOM 1000 CD LYS A 72 -1.892 -13.471 4.470 1.00 0.00 C ATOM 1001 CE LYS A 72 -2.324 -14.424 5.587 1.00 0.00 C ATOM 1002 NZ LYS A 72 -2.809 -15.702 5.019 1.00 0.00 N ATOM 0 H LYS A 72 0.696 -11.324 4.676 1.00 0.00 H new ATOM 0 HA LYS A 72 -0.817 -9.146 3.471 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -2.570 -10.675 3.359 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -1.124 -11.595 2.991 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -1.253 -11.857 5.750 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -2.953 -11.800 5.328 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -2.535 -13.609 3.601 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -0.876 -13.710 4.156 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -1.485 -14.612 6.257 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -3.111 -13.962 6.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -3.098 -16.337 5.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -3.623 -15.519 4.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -2.047 -16.149 4.470 1.00 0.00 H new ATOM 1015 N PRO A 73 -1.593 -7.922 5.410 1.00 0.00 N ATOM 1016 CA PRO A 73 -2.103 -7.093 6.480 1.00 0.00 C ATOM 1017 C PRO A 73 -3.222 -7.826 7.205 1.00 0.00 C ATOM 1018 O PRO A 73 -3.852 -8.693 6.602 1.00 0.00 O ATOM 1019 CB PRO A 73 -2.630 -5.839 5.786 1.00 0.00 C ATOM 1020 CG PRO A 73 -1.688 -5.714 4.585 1.00 0.00 C ATOM 1021 CD PRO A 73 -1.442 -7.167 4.185 1.00 0.00 C ATOM 0 HA PRO A 73 -1.346 -6.850 7.226 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -3.670 -5.950 5.478 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -2.582 -4.964 6.434 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -2.142 -5.144 3.774 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -0.761 -5.207 4.851 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -2.155 -7.495 3.429 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -0.446 -7.297 3.761 1.00 0.00 H new ATOM 1029 N THR A 74 -3.445 -7.474 8.463 1.00 0.00 N ATOM 1030 CA THR A 74 -4.489 -8.114 9.245 1.00 0.00 C ATOM 1031 C THR A 74 -5.680 -7.170 9.419 1.00 0.00 C ATOM 1032 O THR A 74 -5.518 -6.036 9.868 1.00 0.00 O ATOM 1033 CB THR A 74 -3.875 -8.568 10.572 1.00 0.00 C ATOM 1034 OG1 THR A 74 -3.182 -7.416 11.045 1.00 0.00 O ATOM 1035 CG2 THR A 74 -2.774 -9.613 10.380 1.00 0.00 C ATOM 0 H THR A 74 -2.921 -6.754 8.960 1.00 0.00 H new ATOM 0 HA THR A 74 -4.883 -8.993 8.734 1.00 0.00 H new ATOM 0 HB THR A 74 -4.656 -8.977 11.213 1.00 0.00 H new ATOM 0 HG1 THR A 74 -3.709 -6.983 11.749 1.00 0.00 H new ATOM 0 HG21 THR A 74 -2.372 -9.901 11.351 1.00 0.00 H new ATOM 0 HG22 THR A 74 -3.188 -10.491 9.884 1.00 0.00 H new ATOM 0 HG23 THR A 74 -1.976 -9.193 9.768 1.00 0.00 H new ATOM 1043 N CYS A 75 -6.850 -7.672 9.053 1.00 0.00 N ATOM 1044 CA CYS A 75 -8.068 -6.887 9.162 1.00 0.00 C ATOM 1045 C CYS A 75 -8.243 -6.473 10.625 1.00 0.00 C ATOM 1046 O CYS A 75 -8.896 -5.472 10.916 1.00 0.00 O ATOM 1047 CB CYS A 75 -9.284 -7.653 8.636 1.00 0.00 C ATOM 1048 SG CYS A 75 -8.995 -8.579 7.084 1.00 0.00 S ATOM 0 H CYS A 75 -6.981 -8.613 8.681 1.00 0.00 H new ATOM 0 HA CYS A 75 -7.986 -5.995 8.540 1.00 0.00 H new ATOM 0 HB2 CYS A 75 -9.615 -8.352 9.404 1.00 0.00 H new ATOM 0 HB3 CYS A 75 -10.099 -6.947 8.475 1.00 0.00 H new ATOM 1053 N ASP A 76 -7.649 -7.265 11.505 1.00 0.00 N ATOM 1054 CA ASP A 76 -7.731 -6.993 12.931 1.00 0.00 C ATOM 1055 C ASP A 76 -6.971 -5.703 13.244 1.00 0.00 C ATOM 1056 O ASP A 76 -7.043 -5.191 14.360 1.00 0.00 O ATOM 1057 CB ASP A 76 -7.099 -8.124 13.744 1.00 0.00 C ATOM 1058 CG ASP A 76 -7.893 -9.431 13.759 1.00 0.00 C ATOM 1059 OD1 ASP A 76 -8.342 -9.918 12.711 1.00 0.00 O ATOM 1060 OD2 ASP A 76 -8.048 -9.962 14.925 1.00 0.00 O ATOM 0 H ASP A 76 -7.109 -8.095 11.259 1.00 0.00 H new ATOM 0 HA ASP A 76 -8.784 -6.902 13.197 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -6.104 -8.325 13.346 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -6.969 -7.784 14.771 1.00 0.00 H new ATOM 1066 N THR A 77 -6.259 -5.214 12.239 1.00 0.00 N ATOM 1067 CA THR A 77 -5.486 -3.993 12.394 1.00 0.00 C ATOM 1068 C THR A 77 -6.336 -2.774 12.032 1.00 0.00 C ATOM 1069 O THR A 77 -5.810 -1.678 11.850 1.00 0.00 O ATOM 1070 CB THR A 77 -4.220 -4.125 11.545 1.00 0.00 C ATOM 1071 OG1 THR A 77 -3.579 -5.291 12.055 1.00 0.00 O ATOM 1072 CG2 THR A 77 -3.216 -3.001 11.813 1.00 0.00 C ATOM 0 H THR A 77 -6.201 -5.641 11.315 1.00 0.00 H new ATOM 0 HA THR A 77 -5.186 -3.844 13.431 1.00 0.00 H new ATOM 0 HB THR A 77 -4.490 -4.127 10.489 1.00 0.00 H new ATOM 0 HG1 THR A 77 -3.031 -5.697 11.351 1.00 0.00 H new ATOM 0 HG21 THR A 77 -2.336 -3.142 11.185 1.00 0.00 H new ATOM 0 HG22 THR A 77 -3.676 -2.040 11.583 1.00 0.00 H new ATOM 0 HG23 THR A 77 -2.920 -3.020 12.862 1.00 0.00 H new ATOM 1080 N CYS A 78 -7.637 -3.007 11.938 1.00 0.00 N ATOM 1081 CA CYS A 78 -8.566 -1.941 11.601 1.00 0.00 C ATOM 1082 C CYS A 78 -9.980 -2.408 11.952 1.00 0.00 C ATOM 1083 O CYS A 78 -10.684 -1.748 12.715 1.00 0.00 O ATOM 1084 CB CYS A 78 -8.448 -1.532 10.132 1.00 0.00 C ATOM 1085 SG CYS A 78 -7.213 -0.192 9.952 1.00 0.00 S ATOM 0 H CYS A 78 -8.070 -3.918 12.089 1.00 0.00 H new ATOM 0 HA CYS A 78 -8.325 -1.049 12.179 1.00 0.00 H new ATOM 0 HB2 CYS A 78 -8.155 -2.391 9.529 1.00 0.00 H new ATOM 0 HB3 CYS A 78 -9.416 -1.197 9.760 1.00 0.00 H new ATOM 1090 N HIS A 79 -10.355 -3.541 11.377 1.00 0.00 N ATOM 1091 CA HIS A 79 -11.672 -4.103 11.619 1.00 0.00 C ATOM 1092 C HIS A 79 -11.615 -5.044 12.825 1.00 0.00 C ATOM 1093 O HIS A 79 -10.664 -5.810 12.975 1.00 0.00 O ATOM 1094 CB HIS A 79 -12.212 -4.785 10.360 1.00 0.00 C ATOM 1095 CG HIS A 79 -12.314 -3.871 9.163 1.00 0.00 C ATOM 1096 ND1 HIS A 79 -13.113 -2.742 9.147 1.00 0.00 N ATOM 1097 CD2 HIS A 79 -11.708 -3.931 7.942 1.00 0.00 C ATOM 1098 CE1 HIS A 79 -12.987 -2.156 7.965 1.00 0.00 C ATOM 1099 NE2 HIS A 79 -12.116 -2.895 7.219 1.00 0.00 N ATOM 0 H HIS A 79 -9.769 -4.085 10.744 1.00 0.00 H new ATOM 0 HA HIS A 79 -12.374 -3.304 11.858 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -11.565 -5.625 10.109 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -13.198 -5.195 10.576 1.00 0.00 H new ATOM 0 HD1 HIS A 79 -13.700 -2.416 9.915 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -11.014 -4.692 7.618 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -13.486 -1.252 7.648 1.00 0.00 H new ATOM 1107 N ASP A 80 -12.646 -4.955 13.653 1.00 0.00 N ATOM 1108 CA ASP A 80 -12.725 -5.789 14.840 1.00 0.00 C ATOM 1109 C ASP A 80 -14.094 -6.471 14.889 1.00 0.00 C ATOM 1110 O ASP A 80 -14.694 -6.590 15.956 1.00 0.00 O ATOM 1111 CB ASP A 80 -12.568 -4.953 16.112 1.00 0.00 C ATOM 1112 CG ASP A 80 -11.132 -4.544 16.444 1.00 0.00 C ATOM 1113 OD1 ASP A 80 -10.236 -4.605 15.589 1.00 0.00 O ATOM 1114 OD2 ASP A 80 -10.945 -4.145 17.657 1.00 0.00 O ATOM 0 H ASP A 80 -13.433 -4.319 13.525 1.00 0.00 H new ATOM 0 HA ASP A 80 -11.922 -6.524 14.790 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -13.173 -4.052 16.013 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -12.972 -5.518 16.952 1.00 0.00 H new ATOM 1120 N ASP A 81 -14.547 -6.901 13.720 1.00 0.00 N ATOM 1121 CA ASP A 81 -15.833 -7.569 13.616 1.00 0.00 C ATOM 1122 C ASP A 81 -15.628 -8.977 13.054 1.00 0.00 C ATOM 1123 O ASP A 81 -16.533 -9.542 12.441 1.00 0.00 O ATOM 1124 CB ASP A 81 -16.770 -6.814 12.671 1.00 0.00 C ATOM 1125 CG ASP A 81 -16.114 -6.290 11.392 1.00 0.00 C ATOM 1126 OD1 ASP A 81 -15.244 -6.950 10.804 1.00 0.00 O ATOM 1127 OD2 ASP A 81 -16.535 -5.137 10.996 1.00 0.00 O ATOM 0 H ASP A 81 -14.046 -6.800 12.837 1.00 0.00 H new ATOM 0 HA ASP A 81 -16.276 -7.605 14.611 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -17.593 -7.474 12.395 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -17.204 -5.972 13.210 1.00 0.00 H new ATOM 1133 N GLY A 82 -14.434 -9.503 13.283 1.00 0.00 N ATOM 1134 CA GLY A 82 -14.099 -10.835 12.807 1.00 0.00 C ATOM 1135 C GLY A 82 -13.636 -10.795 11.350 1.00 0.00 C ATOM 1136 O GLY A 82 -13.159 -11.797 10.819 1.00 0.00 O ATOM 0 H GLY A 82 -13.686 -9.031 13.792 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -13.313 -11.261 13.431 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -14.968 -11.487 12.899 1.00 0.00 H new ATOM 1140 N ARG A 83 -13.793 -9.628 10.744 1.00 0.00 N ATOM 1141 CA ARG A 83 -13.397 -9.445 9.358 1.00 0.00 C ATOM 1142 C ARG A 83 -12.143 -10.267 9.051 1.00 0.00 C ATOM 1143 O ARG A 83 -11.134 -10.149 9.744 1.00 0.00 O ATOM 1144 CB ARG A 83 -13.119 -7.971 9.054 1.00 0.00 C ATOM 1145 CG ARG A 83 -14.035 -7.458 7.942 1.00 0.00 C ATOM 1146 CD ARG A 83 -15.490 -7.850 8.206 1.00 0.00 C ATOM 1147 NE ARG A 83 -16.347 -6.643 8.210 1.00 0.00 N ATOM 1148 CZ ARG A 83 -16.830 -6.054 7.096 1.00 0.00 C ATOM 1149 NH1 ARG A 83 -16.544 -6.557 5.876 1.00 0.00 N ATOM 1150 NH2 ARG A 83 -17.587 -4.979 7.216 1.00 0.00 N ATOM 0 H ARG A 83 -14.189 -8.799 11.187 1.00 0.00 H new ATOM 0 HA ARG A 83 -14.221 -9.784 8.731 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -13.267 -7.376 9.955 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -12.077 -7.847 8.758 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -13.954 -6.373 7.871 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -13.713 -7.865 6.984 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -15.832 -8.546 7.441 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -15.569 -8.365 9.163 1.00 0.00 H new ATOM 0 HE ARG A 83 -16.588 -6.231 9.111 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -15.959 -7.388 5.791 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -16.913 -6.106 5.039 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -17.799 -4.605 8.141 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -17.960 -4.522 6.384 1.00 0.00 H new ATOM 1160 N THR A 84 -12.249 -11.082 8.012 1.00 0.00 N ATOM 1161 CA THR A 84 -11.136 -11.924 7.605 1.00 0.00 C ATOM 1162 C THR A 84 -10.784 -11.669 6.138 1.00 0.00 C ATOM 1163 O THR A 84 -11.622 -11.205 5.366 1.00 0.00 O ATOM 1164 CB THR A 84 -11.513 -13.378 7.896 1.00 0.00 C ATOM 1165 OG1 THR A 84 -12.858 -13.486 7.439 1.00 0.00 O ATOM 1166 CG2 THR A 84 -11.603 -13.670 9.395 1.00 0.00 C ATOM 0 H THR A 84 -13.088 -11.178 7.440 1.00 0.00 H new ATOM 0 HA THR A 84 -10.234 -11.688 8.169 1.00 0.00 H new ATOM 0 HB THR A 84 -10.778 -14.042 7.441 1.00 0.00 H new ATOM 0 HG1 THR A 84 -13.182 -14.399 7.588 1.00 0.00 H new ATOM 0 HG21 THR A 84 -11.873 -14.715 9.547 1.00 0.00 H new ATOM 0 HG22 THR A 84 -10.638 -13.473 9.863 1.00 0.00 H new ATOM 0 HG23 THR A 84 -12.362 -13.030 9.845 1.00 0.00 H new ATOM 1174 N ALA A 85 -9.543 -11.984 5.798 1.00 0.00 N ATOM 1175 CA ALA A 85 -9.069 -11.795 4.437 1.00 0.00 C ATOM 1176 C ALA A 85 -9.599 -12.927 3.555 1.00 0.00 C ATOM 1177 O ALA A 85 -9.808 -14.043 4.030 1.00 0.00 O ATOM 1178 CB ALA A 85 -7.541 -11.721 4.434 1.00 0.00 C ATOM 0 H ALA A 85 -8.851 -12.369 6.441 1.00 0.00 H new ATOM 0 HA ALA A 85 -9.442 -10.856 4.028 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -7.186 -11.579 3.413 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -7.216 -10.883 5.051 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -7.131 -12.648 4.836 1.00 0.00 H new ATOM 1184 N LYS A 86 -9.802 -12.601 2.287 1.00 0.00 N ATOM 1185 CA LYS A 86 -10.304 -13.577 1.335 1.00 0.00 C ATOM 1186 C LYS A 86 -9.183 -13.965 0.369 1.00 0.00 C ATOM 1187 O LYS A 86 -8.008 -13.729 0.649 1.00 0.00 O ATOM 1188 CB LYS A 86 -11.560 -13.048 0.638 1.00 0.00 C ATOM 1189 CG LYS A 86 -12.706 -14.057 0.735 1.00 0.00 C ATOM 1190 CD LYS A 86 -14.051 -13.389 0.441 1.00 0.00 C ATOM 1191 CE LYS A 86 -15.212 -14.254 0.934 1.00 0.00 C ATOM 1192 NZ LYS A 86 -16.508 -13.612 0.617 1.00 0.00 N ATOM 0 H LYS A 86 -9.628 -11.675 1.897 1.00 0.00 H new ATOM 0 HA LYS A 86 -10.611 -14.487 1.849 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -11.862 -12.104 1.092 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -11.340 -12.842 -0.409 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -12.539 -14.872 0.030 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -12.725 -14.497 1.732 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -14.090 -12.413 0.924 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -14.150 -13.218 -0.631 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -15.163 -15.238 0.468 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -15.128 -14.406 2.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -17.286 -14.212 0.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -16.558 -12.683 1.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -16.592 -13.489 -0.412 1.00 0.00 H new TER 1205 LYS A 86 HETATM 1206 FE HEM A 218 9.747 6.097 1.225 1.00 0.00 FE HETATM 1207 CHA HEM A 218 7.816 8.151 3.301 1.00 0.00 C HETATM 1208 CHB HEM A 218 12.595 7.507 2.616 1.00 0.00 C HETATM 1209 CHC HEM A 218 11.678 4.212 -0.851 1.00 0.00 C HETATM 1210 CHD HEM A 218 6.870 4.907 -0.207 1.00 0.00 C HETATM 1211 NA HEM A 218 10.119 7.556 2.645 1.00 0.00 N HETATM 1212 C1A HEM A 218 9.199 8.241 3.419 1.00 0.00 C HETATM 1213 C2A HEM A 218 9.879 9.076 4.382 1.00 0.00 C HETATM 1214 C3A HEM A 218 11.204 8.900 4.195 1.00 0.00 C HETATM 1215 C4A HEM A 218 11.358 7.954 3.114 1.00 0.00 C HETATM 1216 CMA HEM A 218 12.336 9.542 4.942 1.00 0.00 C HETATM 1217 CAA HEM A 218 9.196 9.959 5.386 1.00 0.00 C HETATM 1218 CBA HEM A 218 10.093 10.392 6.542 1.00 0.00 C HETATM 1219 CGA HEM A 218 9.274 10.684 7.791 1.00 0.00 C HETATM 1220 O1A HEM A 218 9.182 9.768 8.637 1.00 0.00 O HETATM 1221 O2A HEM A 218 8.754 11.817 7.877 1.00 0.00 O HETATM 1222 NB HEM A 218 11.724 5.963 0.901 1.00 0.00 N HETATM 1223 C1B HEM A 218 12.746 6.512 1.656 1.00 0.00 C HETATM 1224 C2B HEM A 218 14.009 5.905 1.307 1.00 0.00 C HETATM 1225 C3B HEM A 218 13.758 4.991 0.346 1.00 0.00 C HETATM 1226 C4B HEM A 218 12.337 5.023 0.090 1.00 0.00 C HETATM 1227 CMB HEM A 218 15.330 6.257 1.926 1.00 0.00 C HETATM 1228 CAB HEM A 218 14.736 4.091 -0.351 1.00 0.00 C HETATM 1229 CBB HEM A 218 15.442 3.105 0.575 1.00 0.00 C HETATM 1230 NC HEM A 218 9.342 4.756 -0.180 1.00 0.00 N HETATM 1231 C1C HEM A 218 10.258 4.150 -1.023 1.00 0.00 C HETATM 1232 C2C HEM A 218 9.576 3.491 -2.112 1.00 0.00 C HETATM 1233 C3C HEM A 218 8.254 3.695 -1.934 1.00 0.00 C HETATM 1234 C4C HEM A 218 8.104 4.483 -0.733 1.00 0.00 C HETATM 1235 CMC HEM A 218 10.254 2.731 -3.215 1.00 0.00 C HETATM 1236 CAC HEM A 218 7.121 3.216 -2.794 1.00 0.00 C HETATM 1237 CBC HEM A 218 7.174 1.725 -3.116 1.00 0.00 C HETATM 1238 ND HEM A 218 7.757 6.440 1.510 1.00 0.00 N HETATM 1239 C1D HEM A 218 6.725 5.874 0.782 1.00 0.00 C HETATM 1240 C2D HEM A 218 5.458 6.433 1.192 1.00 0.00 C HETATM 1241 C3D HEM A 218 5.717 7.332 2.164 1.00 0.00 C HETATM 1242 C4D HEM A 218 7.147 7.340 2.366 1.00 0.00 C HETATM 1243 CMD HEM A 218 4.126 6.052 0.616 1.00 0.00 C HETATM 1244 CAD HEM A 218 4.739 8.184 2.920 1.00 0.00 C HETATM 1245 CBD HEM A 218 3.490 8.550 2.123 1.00 0.00 C HETATM 1246 CGD HEM A 218 2.282 7.757 2.603 1.00 0.00 C HETATM 1247 O1D HEM A 218 1.532 7.278 1.725 1.00 0.00 O HETATM 1248 O2D HEM A 218 2.132 7.644 3.839 1.00 0.00 O HETATM 0 HMA1 HEM A 218 12.030 10.529 5.288 1.00 0.00 H new HETATM 0 HMA2 HEM A 218 13.198 9.640 4.282 1.00 0.00 H new HETATM 0 HMA3 HEM A 218 12.603 8.924 5.799 1.00 0.00 H new HETATM 0 HMB1 HEM A 218 15.320 7.303 2.234 1.00 0.00 H new HETATM 0 HMB2 HEM A 218 16.126 6.100 1.198 1.00 0.00 H new HETATM 0 HMB3 HEM A 218 15.504 5.624 2.796 1.00 0.00 H new HETATM 0 HMC1 HEM A 218 11.240 3.158 -3.399 1.00 0.00 H new HETATM 0 HMC2 HEM A 218 9.655 2.796 -4.123 1.00 0.00 H new HETATM 0 HMC3 HEM A 218 10.360 1.686 -2.925 1.00 0.00 H new HETATM 0 HMD1 HEM A 218 3.354 6.168 1.377 1.00 0.00 H new HETATM 0 HMD2 HEM A 218 4.156 5.014 0.285 1.00 0.00 H new HETATM 0 HMD3 HEM A 218 3.899 6.697 -0.233 1.00 0.00 H new HETATM 0 HBB1 HEM A 218 16.173 2.405 0.170 1.00 0.00 H new HETATM 0 HBB2 HEM A 218 15.215 3.101 1.641 1.00 0.00 H new HETATM 0 HBC1 HEM A 218 6.398 1.273 -3.734 1.00 0.00 H new HETATM 0 HBC2 HEM A 218 7.987 1.112 -2.728 1.00 0.00 H new HETATM 0 HBA1 HEM A 218 10.656 11.281 6.256 1.00 0.00 H new HETATM 0 HBA2 HEM A 218 10.820 9.609 6.755 1.00 0.00 H new HETATM 0 HAA1 HEM A 218 8.330 9.433 5.788 1.00 0.00 H new HETATM 0 HAA2 HEM A 218 8.821 10.847 4.878 1.00 0.00 H new HETATM 0 HBD1 HEM A 218 3.660 8.354 1.064 1.00 0.00 H new HETATM 0 HBD2 HEM A 218 3.291 9.617 2.222 1.00 0.00 H new HETATM 0 HAD1 HEM A 218 5.238 9.100 3.235 1.00 0.00 H new HETATM 0 HAD2 HEM A 218 4.438 7.658 3.826 1.00 0.00 H new HETATM 0 HHA HEM A 218 7.214 8.745 3.973 1.00 0.00 H new HETATM 0 HHB HEM A 218 13.490 7.969 3.006 1.00 0.00 H new HETATM 0 HHC HEM A 218 12.287 3.591 -1.491 1.00 0.00 H new HETATM 0 HHD HEM A 218 5.973 4.450 -0.598 1.00 0.00 H new HETATM 0 HAB HEM A 218 14.925 4.138 -1.423 1.00 0.00 H new HETATM 0 HAC HEM A 218 6.331 3.874 -3.156 1.00 0.00 H new HETATM 1249 FE HEM A 238 4.337 -2.376 -6.699 1.00 0.00 FE HETATM 1250 CHA HEM A 238 4.564 -5.853 -6.331 1.00 0.00 C HETATM 1251 CHB HEM A 238 2.631 -2.328 -3.582 1.00 0.00 C HETATM 1252 CHC HEM A 238 4.125 1.040 -6.767 1.00 0.00 C HETATM 1253 CHD HEM A 238 6.033 -2.529 -9.573 1.00 0.00 C HETATM 1254 NA HEM A 238 3.727 -3.804 -5.242 1.00 0.00 N HETATM 1255 C1A HEM A 238 3.913 -5.174 -5.307 1.00 0.00 C HETATM 1256 C2A HEM A 238 3.330 -5.813 -4.151 1.00 0.00 C HETATM 1257 C3A HEM A 238 2.793 -4.839 -3.387 1.00 0.00 C HETATM 1258 C4A HEM A 238 3.038 -3.586 -4.062 1.00 0.00 C HETATM 1259 CMA HEM A 238 2.071 -4.983 -2.078 1.00 0.00 C HETATM 1260 CAA HEM A 238 3.343 -7.291 -3.889 1.00 0.00 C HETATM 1261 CBA HEM A 238 2.340 -7.744 -2.832 1.00 0.00 C HETATM 1262 CGA HEM A 238 2.334 -9.259 -2.695 1.00 0.00 C HETATM 1263 O1A HEM A 238 1.219 -9.824 -2.690 1.00 0.00 O HETATM 1264 O2A HEM A 238 3.444 -9.825 -2.598 1.00 0.00 O HETATM 1265 NB HEM A 238 3.457 -0.953 -5.456 1.00 0.00 N HETATM 1266 C1B HEM A 238 2.960 -1.114 -4.174 1.00 0.00 C HETATM 1267 C2B HEM A 238 2.827 0.169 -3.524 1.00 0.00 C HETATM 1268 C3B HEM A 238 3.240 1.105 -4.405 1.00 0.00 C HETATM 1269 C4B HEM A 238 3.633 0.411 -5.608 1.00 0.00 C HETATM 1270 CMB HEM A 238 2.318 0.375 -2.127 1.00 0.00 C HETATM 1271 CAB HEM A 238 3.298 2.592 -4.213 1.00 0.00 C HETATM 1272 CBB HEM A 238 3.734 3.022 -2.815 1.00 0.00 C HETATM 1273 NC HEM A 238 4.959 -1.032 -7.917 1.00 0.00 N HETATM 1274 C1C HEM A 238 4.666 0.320 -7.921 1.00 0.00 C HETATM 1275 C2C HEM A 238 5.094 0.922 -9.162 1.00 0.00 C HETATM 1276 C3C HEM A 238 5.646 -0.058 -9.908 1.00 0.00 C HETATM 1277 C4C HEM A 238 5.563 -1.276 -9.138 1.00 0.00 C HETATM 1278 CMC HEM A 238 4.936 2.373 -9.512 1.00 0.00 C HETATM 1279 CAC HEM A 238 6.242 0.051 -11.282 1.00 0.00 C HETATM 1280 CBC HEM A 238 7.162 1.254 -11.465 1.00 0.00 C HETATM 1281 ND HEM A 238 5.167 -3.877 -7.698 1.00 0.00 N HETATM 1282 C1D HEM A 238 5.762 -3.737 -8.939 1.00 0.00 C HETATM 1283 C2D HEM A 238 6.070 -5.033 -9.496 1.00 0.00 C HETATM 1284 C3D HEM A 238 5.663 -5.957 -8.600 1.00 0.00 C HETATM 1285 C4D HEM A 238 5.101 -5.242 -7.479 1.00 0.00 C HETATM 1286 CMD HEM A 238 6.720 -5.262 -10.829 1.00 0.00 C HETATM 1287 CAD HEM A 238 5.758 -7.451 -8.706 1.00 0.00 C HETATM 1288 CBD HEM A 238 4.408 -8.151 -8.829 1.00 0.00 C HETATM 1289 CGD HEM A 238 3.632 -7.635 -10.032 1.00 0.00 C HETATM 1290 O1D HEM A 238 3.631 -8.351 -11.057 1.00 0.00 O HETATM 1291 O2D HEM A 238 3.053 -6.535 -9.904 1.00 0.00 O HETATM 0 HMA1 HEM A 238 2.227 -4.088 -1.476 1.00 0.00 H new HETATM 0 HMA2 HEM A 238 2.456 -5.851 -1.544 1.00 0.00 H new HETATM 0 HMA3 HEM A 238 1.005 -5.114 -2.263 1.00 0.00 H new HETATM 0 HMB1 HEM A 238 1.605 -0.412 -1.880 1.00 0.00 H new HETATM 0 HMB2 HEM A 238 1.826 1.345 -2.058 1.00 0.00 H new HETATM 0 HMB3 HEM A 238 3.153 0.341 -1.427 1.00 0.00 H new HETATM 0 HMC1 HEM A 238 4.051 2.773 -9.016 1.00 0.00 H new HETATM 0 HMC2 HEM A 238 4.825 2.477 -10.591 1.00 0.00 H new HETATM 0 HMC3 HEM A 238 5.817 2.925 -9.183 1.00 0.00 H new HETATM 0 HMD1 HEM A 238 7.303 -6.183 -10.796 1.00 0.00 H new HETATM 0 HMD2 HEM A 238 7.378 -4.424 -11.062 1.00 0.00 H new HETATM 0 HMD3 HEM A 238 5.953 -5.345 -11.598 1.00 0.00 H new HETATM 0 HBB1 HEM A 238 3.809 4.081 -2.569 1.00 0.00 H new HETATM 0 HBB2 HEM A 238 3.970 2.270 -2.062 1.00 0.00 H new HETATM 0 HBC1 HEM A 238 7.648 1.428 -12.425 1.00 0.00 H new HETATM 0 HBC2 HEM A 238 7.334 1.940 -10.635 1.00 0.00 H new HETATM 0 HBA1 HEM A 238 1.342 -7.396 -3.100 1.00 0.00 H new HETATM 0 HBA2 HEM A 238 2.588 -7.290 -1.873 1.00 0.00 H new HETATM 0 HAA1 HEM A 238 4.344 -7.585 -3.574 1.00 0.00 H new HETATM 0 HAA2 HEM A 238 3.135 -7.816 -4.821 1.00 0.00 H new HETATM 0 HBD1 HEM A 238 3.827 -7.990 -7.921 1.00 0.00 H new HETATM 0 HBD2 HEM A 238 4.560 -9.226 -8.924 1.00 0.00 H new HETATM 0 HAD1 HEM A 238 6.276 -7.835 -7.827 1.00 0.00 H new HETATM 0 HAD2 HEM A 238 6.368 -7.705 -9.573 1.00 0.00 H new HETATM 0 HHA HEM A 238 4.664 -6.924 -6.239 1.00 0.00 H new HETATM 0 HHB HEM A 238 2.020 -2.304 -2.692 1.00 0.00 H new HETATM 0 HHC HEM A 238 4.102 2.119 -6.807 1.00 0.00 H new HETATM 0 HHD HEM A 238 6.647 -2.554 -10.461 1.00 0.00 H new HETATM 0 HAB HEM A 238 3.051 3.302 -5.002 1.00 0.00 H new HETATM 0 HAC HEM A 238 6.036 -0.665 -12.077 1.00 0.00 H new HETATM 1292 FE HEM A 261 -3.355 -4.561 -1.515 1.00 0.00 FE HETATM 1293 CHA HEM A 261 -2.841 -7.916 -1.697 1.00 0.00 C HETATM 1294 CHB HEM A 261 -1.838 -3.992 -4.403 1.00 0.00 C HETATM 1295 CHC HEM A 261 -4.305 -1.194 -1.271 1.00 0.00 C HETATM 1296 CHD HEM A 261 -4.932 -5.076 1.661 1.00 0.00 C HETATM 1297 NA HEM A 261 -2.540 -5.712 -2.763 1.00 0.00 N HETATM 1298 C1A HEM A 261 -2.374 -7.085 -2.710 1.00 0.00 C HETATM 1299 C2A HEM A 261 -1.640 -7.546 -3.865 1.00 0.00 C HETATM 1300 C3A HEM A 261 -1.360 -6.460 -4.617 1.00 0.00 C HETATM 1301 C4A HEM A 261 -1.918 -5.317 -3.935 1.00 0.00 C HETATM 1302 CMA HEM A 261 -0.615 -6.405 -5.919 1.00 0.00 C HETATM 1303 CAA HEM A 261 -1.278 -8.977 -4.137 1.00 0.00 C HETATM 1304 CBA HEM A 261 -2.453 -9.840 -4.589 1.00 0.00 C HETATM 1305 CGA HEM A 261 -1.988 -11.233 -4.986 1.00 0.00 C HETATM 1306 O1A HEM A 261 -2.519 -11.742 -5.997 1.00 0.00 O HETATM 1307 O2A HEM A 261 -1.111 -11.764 -4.271 1.00 0.00 O HETATM 1308 NB HEM A 261 -3.135 -2.934 -2.590 1.00 0.00 N HETATM 1309 C1B HEM A 261 -2.447 -2.901 -3.791 1.00 0.00 C HETATM 1310 C2B HEM A 261 -2.445 -1.562 -4.331 1.00 0.00 C HETATM 1311 C3B HEM A 261 -3.129 -0.784 -3.465 1.00 0.00 C HETATM 1312 C4B HEM A 261 -3.560 -1.634 -2.380 1.00 0.00 C HETATM 1313 CMB HEM A 261 -1.792 -1.157 -5.620 1.00 0.00 C HETATM 1314 CAB HEM A 261 -3.411 0.686 -3.569 1.00 0.00 C HETATM 1315 CBB HEM A 261 -4.042 1.105 -4.894 1.00 0.00 C HETATM 1316 NC HEM A 261 -4.511 -3.397 -0.111 1.00 0.00 N HETATM 1317 C1C HEM A 261 -4.723 -2.031 -0.184 1.00 0.00 C HETATM 1318 C2C HEM A 261 -5.306 -1.549 1.046 1.00 0.00 C HETATM 1319 C3C HEM A 261 -5.449 -2.614 1.862 1.00 0.00 C HETATM 1320 C4C HEM A 261 -4.955 -3.766 1.147 1.00 0.00 C HETATM 1321 CMC HEM A 261 -5.671 -0.119 1.321 1.00 0.00 C HETATM 1322 CAC HEM A 261 -6.008 -2.643 3.255 1.00 0.00 C HETATM 1323 CBC HEM A 261 -7.401 -2.031 3.377 1.00 0.00 C HETATM 1324 ND HEM A 261 -3.828 -6.154 -0.264 1.00 0.00 N HETATM 1325 C1D HEM A 261 -4.420 -6.179 0.987 1.00 0.00 C HETATM 1326 C2D HEM A 261 -4.437 -7.527 1.506 1.00 0.00 C HETATM 1327 C3D HEM A 261 -3.858 -8.317 0.577 1.00 0.00 C HETATM 1328 C4D HEM A 261 -3.477 -7.466 -0.526 1.00 0.00 C HETATM 1329 CMD HEM A 261 -5.004 -7.928 2.836 1.00 0.00 C HETATM 1330 CAD HEM A 261 -3.632 -9.800 0.636 1.00 0.00 C HETATM 1331 CBD HEM A 261 -4.832 -10.590 1.148 1.00 0.00 C HETATM 1332 CGD HEM A 261 -4.870 -11.984 0.539 1.00 0.00 C HETATM 1333 O1D HEM A 261 -5.121 -12.935 1.311 1.00 0.00 O HETATM 1334 O2D HEM A 261 -4.648 -12.074 -0.688 1.00 0.00 O HETATM 0 HMA1 HEM A 261 -0.987 -5.572 -6.516 1.00 0.00 H new HETATM 0 HMA2 HEM A 261 -0.765 -7.337 -6.464 1.00 0.00 H new HETATM 0 HMA3 HEM A 261 0.448 -6.265 -5.724 1.00 0.00 H new HETATM 0 HMB1 HEM A 261 -2.338 -0.321 -6.058 1.00 0.00 H new HETATM 0 HMB2 HEM A 261 -1.801 -1.999 -6.313 1.00 0.00 H new HETATM 0 HMB3 HEM A 261 -0.762 -0.856 -5.427 1.00 0.00 H new HETATM 0 HMC1 HEM A 261 -5.002 0.540 0.767 1.00 0.00 H new HETATM 0 HMC2 HEM A 261 -5.577 0.082 2.388 1.00 0.00 H new HETATM 0 HMC3 HEM A 261 -6.699 0.061 1.008 1.00 0.00 H new HETATM 0 HMD1 HEM A 261 -4.905 -7.100 3.538 1.00 0.00 H new HETATM 0 HMD2 HEM A 261 -4.461 -8.793 3.217 1.00 0.00 H new HETATM 0 HMD3 HEM A 261 -6.058 -8.182 2.721 1.00 0.00 H new HETATM 0 HBB1 HEM A 261 -4.288 2.152 -5.074 1.00 0.00 H new HETATM 0 HBB2 HEM A 261 -4.247 0.358 -5.660 1.00 0.00 H new HETATM 0 HBC1 HEM A 261 -7.900 -2.001 4.346 1.00 0.00 H new HETATM 0 HBC2 HEM A 261 -7.897 -1.624 2.496 1.00 0.00 H new HETATM 0 HBA1 HEM A 261 -2.953 -9.366 -5.433 1.00 0.00 H new HETATM 0 HBA2 HEM A 261 -3.185 -9.913 -3.785 1.00 0.00 H new HETATM 0 HAA1 HEM A 261 -0.849 -9.410 -3.234 1.00 0.00 H new HETATM 0 HAA2 HEM A 261 -0.504 -9.006 -4.904 1.00 0.00 H new HETATM 0 HBD1 HEM A 261 -5.752 -10.058 0.905 1.00 0.00 H new HETATM 0 HBD2 HEM A 261 -4.785 -10.665 2.234 1.00 0.00 H new HETATM 0 HAD1 HEM A 261 -2.776 -10.001 1.280 1.00 0.00 H new HETATM 0 HAD2 HEM A 261 -3.373 -10.158 -0.360 1.00 0.00 H new HETATM 0 HHA HEM A 261 -2.706 -8.981 -1.818 1.00 0.00 H new HETATM 0 HHB HEM A 261 -1.264 -3.810 -5.299 1.00 0.00 H new HETATM 0 HHC HEM A 261 -4.582 -0.151 -1.236 1.00 0.00 H new HETATM 0 HHD HEM A 261 -5.341 -5.236 2.648 1.00 0.00 H new HETATM 0 HAB HEM A 261 -3.185 1.392 -2.770 1.00 0.00 H new HETATM 0 HAC HEM A 261 -5.468 -3.063 4.103 1.00 0.00 H new HETATM 1335 FE HEM A 278 -11.439 -2.436 5.511 1.00 0.00 FE HETATM 1336 CHA HEM A 278 -14.447 -0.783 4.805 1.00 0.00 C HETATM 1337 CHB HEM A 278 -13.022 -5.401 4.200 1.00 0.00 C HETATM 1338 CHC HEM A 278 -8.705 -4.340 6.191 1.00 0.00 C HETATM 1339 CHD HEM A 278 -10.083 0.341 6.652 1.00 0.00 C HETATM 1340 NA HEM A 278 -13.375 -3.003 4.711 1.00 0.00 N HETATM 1341 C1A HEM A 278 -14.409 -2.124 4.439 1.00 0.00 C HETATM 1342 C2A HEM A 278 -15.459 -2.797 3.711 1.00 0.00 C HETATM 1343 C3A HEM A 278 -15.067 -4.077 3.542 1.00 0.00 C HETATM 1344 C4A HEM A 278 -13.770 -4.210 4.163 1.00 0.00 C HETATM 1345 CMA HEM A 278 -15.805 -5.186 2.848 1.00 0.00 C HETATM 1346 CAA HEM A 278 -16.733 -2.152 3.250 1.00 0.00 C HETATM 1347 CBA HEM A 278 -17.963 -2.558 4.057 1.00 0.00 C HETATM 1348 CGA HEM A 278 -19.222 -2.501 3.204 1.00 0.00 C HETATM 1349 O1A HEM A 278 -19.337 -3.362 2.305 1.00 0.00 O HETATM 1350 O2A HEM A 278 -20.045 -1.598 3.467 1.00 0.00 O HETATM 1351 NB HEM A 278 -10.977 -4.461 5.210 1.00 0.00 N HETATM 1352 C1B HEM A 278 -11.739 -5.510 4.726 1.00 0.00 C HETATM 1353 C2B HEM A 278 -11.012 -6.752 4.843 1.00 0.00 C HETATM 1354 C3B HEM A 278 -9.815 -6.461 5.394 1.00 0.00 C HETATM 1355 C4B HEM A 278 -9.789 -5.036 5.625 1.00 0.00 C HETATM 1356 CMB HEM A 278 -11.532 -8.094 4.416 1.00 0.00 C HETATM 1357 CAB HEM A 278 -8.695 -7.405 5.723 1.00 0.00 C HETATM 1358 CBB HEM A 278 -8.177 -8.195 4.524 1.00 0.00 C HETATM 1359 NC HEM A 278 -9.677 -2.043 6.116 1.00 0.00 N HETATM 1360 C1C HEM A 278 -8.656 -2.920 6.437 1.00 0.00 C HETATM 1361 C2C HEM A 278 -7.660 -2.255 7.245 1.00 0.00 C HETATM 1362 C3C HEM A 278 -8.073 -0.981 7.415 1.00 0.00 C HETATM 1363 C4C HEM A 278 -9.328 -0.845 6.714 1.00 0.00 C HETATM 1364 CMC HEM A 278 -6.413 -2.901 7.776 1.00 0.00 C HETATM 1365 CAC HEM A 278 -7.392 0.117 8.178 1.00 0.00 C HETATM 1366 CBC HEM A 278 -5.971 0.412 7.705 1.00 0.00 C HETATM 1367 ND HEM A 278 -12.117 -0.607 5.629 1.00 0.00 N HETATM 1368 C1D HEM A 278 -11.411 0.410 6.247 1.00 0.00 C HETATM 1369 C2D HEM A 278 -12.252 1.572 6.417 1.00 0.00 C HETATM 1370 C3D HEM A 278 -13.463 1.264 5.906 1.00 0.00 C HETATM 1371 C4D HEM A 278 -13.384 -0.092 5.415 1.00 0.00 C HETATM 1372 CMD HEM A 278 -11.818 2.861 7.051 1.00 0.00 C HETATM 1373 CAD HEM A 278 -14.686 2.131 5.840 1.00 0.00 C HETATM 1374 CBD HEM A 278 -14.384 3.622 5.725 1.00 0.00 C HETATM 1375 CGD HEM A 278 -14.670 4.342 7.036 1.00 0.00 C HETATM 1376 O1D HEM A 278 -13.868 5.237 7.379 1.00 0.00 O HETATM 1377 O2D HEM A 278 -15.686 3.984 7.670 1.00 0.00 O HETATM 0 HMA1 HEM A 278 -16.879 -5.024 2.944 1.00 0.00 H new HETATM 0 HMA2 HEM A 278 -15.540 -6.140 3.303 1.00 0.00 H new HETATM 0 HMA3 HEM A 278 -15.533 -5.200 1.793 1.00 0.00 H new HETATM 0 HMB1 HEM A 278 -12.617 -8.113 4.517 1.00 0.00 H new HETATM 0 HMB2 HEM A 278 -11.096 -8.870 5.045 1.00 0.00 H new HETATM 0 HMB3 HEM A 278 -11.261 -8.275 3.376 1.00 0.00 H new HETATM 0 HMC1 HEM A 278 -6.596 -3.963 7.943 1.00 0.00 H new HETATM 0 HMC2 HEM A 278 -6.131 -2.429 8.717 1.00 0.00 H new HETATM 0 HMC3 HEM A 278 -5.605 -2.781 7.054 1.00 0.00 H new HETATM 0 HMD1 HEM A 278 -11.051 2.659 7.798 1.00 0.00 H new HETATM 0 HMD2 HEM A 278 -12.674 3.338 7.529 1.00 0.00 H new HETATM 0 HMD3 HEM A 278 -11.414 3.524 6.287 1.00 0.00 H new HETATM 0 HBB1 HEM A 278 -7.364 -8.909 4.652 1.00 0.00 H new HETATM 0 HBB2 HEM A 278 -8.620 -8.045 3.540 1.00 0.00 H new HETATM 0 HBC1 HEM A 278 -5.386 1.192 8.192 1.00 0.00 H new HETATM 0 HBC2 HEM A 278 -5.542 -0.158 6.881 1.00 0.00 H new HETATM 0 HBA1 HEM A 278 -18.072 -1.897 4.917 1.00 0.00 H new HETATM 0 HBA2 HEM A 278 -17.829 -3.567 4.446 1.00 0.00 H new HETATM 0 HAA1 HEM A 278 -16.898 -2.406 2.203 1.00 0.00 H new HETATM 0 HAA2 HEM A 278 -16.619 -1.069 3.301 1.00 0.00 H new HETATM 0 HBD1 HEM A 278 -14.987 4.058 4.928 1.00 0.00 H new HETATM 0 HBD2 HEM A 278 -13.339 3.764 5.449 1.00 0.00 H new HETATM 0 HAD1 HEM A 278 -15.288 1.960 6.732 1.00 0.00 H new HETATM 0 HAD2 HEM A 278 -15.289 1.826 4.985 1.00 0.00 H new HETATM 0 HHA HEM A 278 -15.356 -0.234 4.607 1.00 0.00 H new HETATM 0 HHB HEM A 278 -13.475 -6.292 3.792 1.00 0.00 H new HETATM 0 HHC HEM A 278 -7.835 -4.919 6.465 1.00 0.00 H new HETATM 0 HHD HEM A 278 -9.597 1.262 6.939 1.00 0.00 H new HETATM 0 HAB HEM A 278 -8.288 -7.516 6.728 1.00 0.00 H new HETATM 0 HAC HEM A 278 -7.869 0.656 8.997 1.00 0.00 H new