USER MOD reduce.3.24.130724 H: found=0, std=0, add=672, rem=0, adj=21 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 120:sc= 1.52 USER MOD Set 1.2: A 77 THR OG1 : rot 146:sc= 1.62 USER MOD Set 2.1: A 57 MET CE :methyl 180:sc= -3.93! (180deg=-3.93!) USER MOD Set 2.2: A 218 HEM CMD :methyl 150:sc= -8.21! (180deg=-8.21!) USER MOD Set 3.1: A 45 MET CE :methyl -108:sc= -7! (180deg=-2.63!) USER MOD Set 3.2: A 261 HEM CMB :methyl 150:sc= -3.28 (180deg=-1.07) USER MOD Single : A 1 ALA N :NH3+ -125:sc= 0.14 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0.0372 USER MOD Single : A 12 MET CE :methyl -127:sc= -4.9! (180deg=-11.6!) USER MOD Single : A 17 ASN : amide:sc= 0.0675 X(o=0.067,f=-0.27) USER MOD Single : A 25 SER OG : rot -160:sc= -0.282 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 TYR OH : rot 165:sc= 0 USER MOD Single : A 34 GLN : amide:sc= -1.13 K(o=-1.1,f=-1.8!) USER MOD Single : A 36 GLN : amide:sc= -0.428 X(o=-0.43,f=-0.13) USER MOD Single : A 37 SER OG : rot -15:sc= 0.877 USER MOD Single : A 41 SER OG : rot 180:sc= 0.25 USER MOD Single : A 48 ASN : amide:sc= -0.621 K(o=-0.62,f=-4.7!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 165:sc= -1.42 (180deg=-2.25!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 218 HEM CMA :methyl 150:sc= -6.04! (180deg=-6.04!) USER MOD Single : A 218 HEM CMB :methyl -30:sc= -0.0739 (180deg=-0.395) USER MOD Single : A 218 HEM CMC :methyl -30:sc= -6.16! (180deg=-7.88!) USER MOD Single : A 238 HEM CMA :methyl -30:sc= -8.63! (180deg=-9.33!) USER MOD Single : A 238 HEM CMB :methyl -30:sc= -2.01 (180deg=-6.28!) USER MOD Single : A 238 HEM CMC :methyl 150:sc= -5.7! (180deg=-5.7!) USER MOD Single : A 238 HEM CMD :methyl -30:sc= -0.153 (180deg=-0.348) USER MOD Single : A 261 HEM CMA :methyl -30:sc= -0.0709 (180deg=-0.279) USER MOD Single : A 261 HEM CMC :methyl -30:sc= -8.6! (180deg=-12.5!) USER MOD Single : A 261 HEM CMD :methyl 150:sc= -2.13! (180deg=-2.13!) USER MOD Single : A 278 HEM CMA :methyl 150:sc= -0.427 (180deg=-0.427) USER MOD Single : A 278 HEM CMB :methyl -30:sc= -0.286 (180deg=-1.25) USER MOD Single : A 278 HEM CMC :methyl 150:sc= -1.41 (180deg=-1.41) USER MOD Single : A 278 HEM CMD :methyl -30:sc= -6.34! (180deg=-7.29!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 17.136 -11.248 4.860 1.00 0.00 N ATOM 2 CA ALA A 1 15.852 -11.844 5.187 1.00 0.00 C ATOM 3 C ALA A 1 14.733 -11.009 4.560 1.00 0.00 C ATOM 4 O ALA A 1 15.000 -10.058 3.827 1.00 0.00 O ATOM 5 CB ALA A 1 15.713 -11.958 6.707 1.00 0.00 C ATOM 0 H1 ALA A 1 17.743 -11.959 4.405 1.00 0.00 H new ATOM 0 H2 ALA A 1 16.992 -10.449 4.210 1.00 0.00 H new ATOM 0 H3 ALA A 1 17.593 -10.909 5.730 1.00 0.00 H new ATOM 0 HA ALA A 1 15.781 -12.852 4.777 1.00 0.00 H new ATOM 0 HB1 ALA A 1 14.750 -12.405 6.952 1.00 0.00 H new ATOM 0 HB2 ALA A 1 16.514 -12.584 7.100 1.00 0.00 H new ATOM 0 HB3 ALA A 1 15.776 -10.966 7.154 1.00 0.00 H new ATOM 11 N ASP A 2 13.505 -11.395 4.872 1.00 0.00 N ATOM 12 CA ASP A 2 12.344 -10.694 4.349 1.00 0.00 C ATOM 13 C ASP A 2 12.607 -9.187 4.382 1.00 0.00 C ATOM 14 O ASP A 2 12.744 -8.601 5.455 1.00 0.00 O ATOM 15 CB ASP A 2 11.102 -10.977 5.195 1.00 0.00 C ATOM 16 CG ASP A 2 10.197 -12.090 4.664 1.00 0.00 C ATOM 17 OD1 ASP A 2 10.260 -13.239 5.126 1.00 0.00 O ATOM 18 OD2 ASP A 2 9.389 -11.734 3.723 1.00 0.00 O ATOM 0 H ASP A 2 13.288 -12.184 5.481 1.00 0.00 H new ATOM 0 HA ASP A 2 12.171 -11.040 3.330 1.00 0.00 H new ATOM 0 HB2 ASP A 2 11.420 -11.239 6.204 1.00 0.00 H new ATOM 0 HB3 ASP A 2 10.517 -10.060 5.273 1.00 0.00 H new ATOM 24 N GLU A 3 12.668 -8.603 3.195 1.00 0.00 N ATOM 25 CA GLU A 3 12.911 -7.175 3.074 1.00 0.00 C ATOM 26 C GLU A 3 11.585 -6.417 2.982 1.00 0.00 C ATOM 27 O GLU A 3 10.568 -6.984 2.586 1.00 0.00 O ATOM 28 CB GLU A 3 13.802 -6.871 1.869 1.00 0.00 C ATOM 29 CG GLU A 3 13.043 -7.085 0.558 1.00 0.00 C ATOM 30 CD GLU A 3 14.009 -7.374 -0.594 1.00 0.00 C ATOM 31 OE1 GLU A 3 14.233 -6.503 -1.447 1.00 0.00 O ATOM 32 OE2 GLU A 3 14.535 -8.552 -0.582 1.00 0.00 O ATOM 0 H GLU A 3 12.553 -9.093 2.308 1.00 0.00 H new ATOM 0 HA GLU A 3 13.438 -6.838 3.967 1.00 0.00 H new ATOM 0 HB2 GLU A 3 14.156 -5.842 1.925 1.00 0.00 H new ATOM 0 HB3 GLU A 3 14.683 -7.513 1.892 1.00 0.00 H new ATOM 0 HG2 GLU A 3 12.345 -7.915 0.669 1.00 0.00 H new ATOM 0 HG3 GLU A 3 12.451 -6.199 0.328 1.00 0.00 H new ATOM 40 N THR A 4 11.640 -5.147 3.354 1.00 0.00 N ATOM 41 CA THR A 4 10.456 -4.305 3.318 1.00 0.00 C ATOM 42 C THR A 4 9.950 -4.158 1.882 1.00 0.00 C ATOM 43 O THR A 4 10.688 -4.409 0.931 1.00 0.00 O ATOM 44 CB THR A 4 10.805 -2.970 3.979 1.00 0.00 C ATOM 45 OG1 THR A 4 12.038 -2.593 3.371 1.00 0.00 O ATOM 46 CG2 THR A 4 11.153 -3.123 5.461 1.00 0.00 C ATOM 0 H THR A 4 12.486 -4.680 3.682 1.00 0.00 H new ATOM 0 HA THR A 4 9.634 -4.755 3.875 1.00 0.00 H new ATOM 0 HB THR A 4 9.966 -2.283 3.872 1.00 0.00 H new ATOM 0 HG1 THR A 4 12.336 -1.736 3.741 1.00 0.00 H new ATOM 0 HG21 THR A 4 11.393 -2.146 5.881 1.00 0.00 H new ATOM 0 HG22 THR A 4 10.302 -3.548 5.993 1.00 0.00 H new ATOM 0 HG23 THR A 4 12.013 -3.784 5.566 1.00 0.00 H new ATOM 54 N LEU A 5 8.693 -3.751 1.770 1.00 0.00 N ATOM 55 CA LEU A 5 8.080 -3.568 0.466 1.00 0.00 C ATOM 56 C LEU A 5 8.796 -2.438 -0.275 1.00 0.00 C ATOM 57 O LEU A 5 9.103 -2.565 -1.460 1.00 0.00 O ATOM 58 CB LEU A 5 6.572 -3.351 0.610 1.00 0.00 C ATOM 59 CG LEU A 5 5.708 -3.854 -0.549 1.00 0.00 C ATOM 60 CD1 LEU A 5 5.019 -5.171 -0.186 1.00 0.00 C ATOM 61 CD2 LEU A 5 4.707 -2.785 -0.991 1.00 0.00 C ATOM 0 H LEU A 5 8.084 -3.543 2.561 1.00 0.00 H new ATOM 0 HA LEU A 5 8.193 -4.468 -0.139 1.00 0.00 H new ATOM 0 HB2 LEU A 5 6.240 -3.842 1.525 1.00 0.00 H new ATOM 0 HB3 LEU A 5 6.389 -2.284 0.737 1.00 0.00 H new ATOM 0 HG LEU A 5 6.359 -4.055 -1.400 1.00 0.00 H new ATOM 0 HD11 LEU A 5 4.411 -5.507 -1.026 1.00 0.00 H new ATOM 0 HD12 LEU A 5 5.772 -5.925 0.042 1.00 0.00 H new ATOM 0 HD13 LEU A 5 4.382 -5.020 0.685 1.00 0.00 H new ATOM 0 HD21 LEU A 5 4.106 -3.168 -1.816 1.00 0.00 H new ATOM 0 HD22 LEU A 5 4.056 -2.529 -0.155 1.00 0.00 H new ATOM 0 HD23 LEU A 5 5.245 -1.895 -1.317 1.00 0.00 H new ATOM 73 N ALA A 6 9.041 -1.358 0.452 1.00 0.00 N ATOM 74 CA ALA A 6 9.716 -0.206 -0.122 1.00 0.00 C ATOM 75 C ALA A 6 11.049 -0.651 -0.728 1.00 0.00 C ATOM 76 O ALA A 6 11.539 -0.039 -1.676 1.00 0.00 O ATOM 77 CB ALA A 6 9.893 0.869 0.951 1.00 0.00 C ATOM 0 H ALA A 6 8.784 -1.256 1.434 1.00 0.00 H new ATOM 0 HA ALA A 6 9.119 0.229 -0.923 1.00 0.00 H new ATOM 0 HB1 ALA A 6 10.399 1.733 0.520 1.00 0.00 H new ATOM 0 HB2 ALA A 6 8.916 1.171 1.328 1.00 0.00 H new ATOM 0 HB3 ALA A 6 10.490 0.470 1.771 1.00 0.00 H new ATOM 83 N GLU A 7 11.598 -1.712 -0.156 1.00 0.00 N ATOM 84 CA GLU A 7 12.864 -2.246 -0.627 1.00 0.00 C ATOM 85 C GLU A 7 12.666 -2.998 -1.945 1.00 0.00 C ATOM 86 O GLU A 7 13.245 -2.632 -2.966 1.00 0.00 O ATOM 87 CB GLU A 7 13.506 -3.149 0.428 1.00 0.00 C ATOM 88 CG GLU A 7 14.879 -3.641 -0.033 1.00 0.00 C ATOM 89 CD GLU A 7 15.699 -4.165 1.148 1.00 0.00 C ATOM 90 OE1 GLU A 7 15.802 -3.486 2.181 1.00 0.00 O ATOM 91 OE2 GLU A 7 16.238 -5.322 0.967 1.00 0.00 O ATOM 0 H GLU A 7 11.189 -2.217 0.630 1.00 0.00 H new ATOM 0 HA GLU A 7 13.543 -1.412 -0.805 1.00 0.00 H new ATOM 0 HB2 GLU A 7 13.608 -2.603 1.366 1.00 0.00 H new ATOM 0 HB3 GLU A 7 12.857 -4.002 0.625 1.00 0.00 H new ATOM 0 HG2 GLU A 7 14.756 -4.431 -0.774 1.00 0.00 H new ATOM 0 HG3 GLU A 7 15.416 -2.827 -0.521 1.00 0.00 H new ATOM 99 N PHE A 8 11.845 -4.036 -1.879 1.00 0.00 N ATOM 100 CA PHE A 8 11.563 -4.842 -3.054 1.00 0.00 C ATOM 101 C PHE A 8 11.323 -3.959 -4.281 1.00 0.00 C ATOM 102 O PHE A 8 11.721 -4.311 -5.391 1.00 0.00 O ATOM 103 CB PHE A 8 10.290 -5.637 -2.757 1.00 0.00 C ATOM 104 CG PHE A 8 9.748 -6.417 -3.956 1.00 0.00 C ATOM 105 CD1 PHE A 8 10.439 -7.484 -4.441 1.00 0.00 C ATOM 106 CD2 PHE A 8 8.576 -6.045 -4.537 1.00 0.00 C ATOM 107 CE1 PHE A 8 9.937 -8.208 -5.554 1.00 0.00 C ATOM 108 CE2 PHE A 8 8.074 -6.769 -5.650 1.00 0.00 C ATOM 109 CZ PHE A 8 8.765 -7.835 -6.135 1.00 0.00 C ATOM 0 H PHE A 8 11.366 -4.337 -1.030 1.00 0.00 H new ATOM 0 HA PHE A 8 12.410 -5.494 -3.269 1.00 0.00 H new ATOM 0 HB2 PHE A 8 10.491 -6.335 -1.944 1.00 0.00 H new ATOM 0 HB3 PHE A 8 9.520 -4.951 -2.405 1.00 0.00 H new ATOM 0 HD1 PHE A 8 11.369 -7.780 -3.979 1.00 0.00 H new ATOM 0 HD2 PHE A 8 8.027 -5.199 -4.151 1.00 0.00 H new ATOM 0 HE1 PHE A 8 10.485 -9.055 -5.939 1.00 0.00 H new ATOM 0 HE2 PHE A 8 7.143 -6.473 -6.112 1.00 0.00 H new ATOM 0 HZ PHE A 8 8.383 -8.386 -6.982 1.00 0.00 H new ATOM 119 N HIS A 9 10.675 -2.829 -4.040 1.00 0.00 N ATOM 120 CA HIS A 9 10.378 -1.893 -5.110 1.00 0.00 C ATOM 121 C HIS A 9 11.655 -1.152 -5.512 1.00 0.00 C ATOM 122 O HIS A 9 11.882 -0.895 -6.694 1.00 0.00 O ATOM 123 CB HIS A 9 9.245 -0.948 -4.707 1.00 0.00 C ATOM 124 CG HIS A 9 7.864 -1.530 -4.892 1.00 0.00 C ATOM 125 ND1 HIS A 9 7.253 -2.326 -3.940 1.00 0.00 N ATOM 126 CD2 HIS A 9 6.983 -1.423 -5.928 1.00 0.00 C ATOM 127 CE1 HIS A 9 6.058 -2.677 -4.392 1.00 0.00 C ATOM 128 NE2 HIS A 9 5.893 -2.117 -5.625 1.00 0.00 N ATOM 0 H HIS A 9 10.347 -2.541 -3.118 1.00 0.00 H new ATOM 0 HA HIS A 9 10.024 -2.437 -5.986 1.00 0.00 H new ATOM 0 HB2 HIS A 9 9.373 -0.669 -3.661 1.00 0.00 H new ATOM 0 HB3 HIS A 9 9.324 -0.032 -5.293 1.00 0.00 H new ATOM 0 HD1 HIS A 9 7.654 -2.597 -3.042 1.00 0.00 H new ATOM 0 HD2 HIS A 9 7.145 -0.868 -6.840 1.00 0.00 H new ATOM 0 HE1 HIS A 9 5.341 -3.297 -3.875 1.00 0.00 H new ATOM 136 N VAL A 10 12.455 -0.828 -4.507 1.00 0.00 N ATOM 137 CA VAL A 10 13.702 -0.121 -4.740 1.00 0.00 C ATOM 138 C VAL A 10 14.564 -0.925 -5.716 1.00 0.00 C ATOM 139 O VAL A 10 14.985 -0.407 -6.749 1.00 0.00 O ATOM 140 CB VAL A 10 14.405 0.155 -3.409 1.00 0.00 C ATOM 141 CG1 VAL A 10 15.909 0.345 -3.612 1.00 0.00 C ATOM 142 CG2 VAL A 10 13.789 1.365 -2.705 1.00 0.00 C ATOM 0 H VAL A 10 12.263 -1.043 -3.528 1.00 0.00 H new ATOM 0 HA VAL A 10 13.511 0.850 -5.198 1.00 0.00 H new ATOM 0 HB VAL A 10 14.262 -0.715 -2.768 1.00 0.00 H new ATOM 0 HG11 VAL A 10 16.384 0.540 -2.651 1.00 0.00 H new ATOM 0 HG12 VAL A 10 16.334 -0.558 -4.051 1.00 0.00 H new ATOM 0 HG13 VAL A 10 16.082 1.189 -4.280 1.00 0.00 H new ATOM 0 HG21 VAL A 10 14.307 1.540 -1.762 1.00 0.00 H new ATOM 0 HG22 VAL A 10 13.887 2.245 -3.341 1.00 0.00 H new ATOM 0 HG23 VAL A 10 12.734 1.174 -2.510 1.00 0.00 H new ATOM 152 N GLU A 11 14.801 -2.177 -5.353 1.00 0.00 N ATOM 153 CA GLU A 11 15.605 -3.057 -6.184 1.00 0.00 C ATOM 154 C GLU A 11 15.070 -3.070 -7.617 1.00 0.00 C ATOM 155 O GLU A 11 15.786 -3.436 -8.548 1.00 0.00 O ATOM 156 CB GLU A 11 15.648 -4.472 -5.602 1.00 0.00 C ATOM 157 CG GLU A 11 16.681 -5.333 -6.330 1.00 0.00 C ATOM 158 CD GLU A 11 16.513 -6.812 -5.973 1.00 0.00 C ATOM 159 OE1 GLU A 11 15.807 -7.544 -6.682 1.00 0.00 O ATOM 160 OE2 GLU A 11 17.148 -7.193 -4.917 1.00 0.00 O ATOM 0 H GLU A 11 14.451 -2.603 -4.495 1.00 0.00 H new ATOM 0 HA GLU A 11 16.626 -2.675 -6.202 1.00 0.00 H new ATOM 0 HB2 GLU A 11 15.891 -4.425 -4.541 1.00 0.00 H new ATOM 0 HB3 GLU A 11 14.663 -4.933 -5.683 1.00 0.00 H new ATOM 0 HG2 GLU A 11 16.575 -5.201 -7.407 1.00 0.00 H new ATOM 0 HG3 GLU A 11 17.686 -5.003 -6.065 1.00 0.00 H new ATOM 168 N MET A 12 13.814 -2.667 -7.750 1.00 0.00 N ATOM 169 CA MET A 12 13.175 -2.628 -9.054 1.00 0.00 C ATOM 170 C MET A 12 13.088 -1.193 -9.578 1.00 0.00 C ATOM 171 O MET A 12 12.290 -0.901 -10.469 1.00 0.00 O ATOM 172 CB MET A 12 11.768 -3.220 -8.951 1.00 0.00 C ATOM 173 CG MET A 12 11.764 -4.696 -9.355 1.00 0.00 C ATOM 174 SD MET A 12 11.204 -5.701 -7.990 1.00 0.00 S ATOM 175 CE MET A 12 9.713 -4.824 -7.551 1.00 0.00 C ATOM 0 H MET A 12 13.222 -2.365 -6.976 1.00 0.00 H new ATOM 0 HA MET A 12 13.775 -3.214 -9.750 1.00 0.00 H new ATOM 0 HB2 MET A 12 11.400 -3.118 -7.930 1.00 0.00 H new ATOM 0 HB3 MET A 12 11.087 -2.662 -9.593 1.00 0.00 H new ATOM 0 HG2 MET A 12 11.114 -4.844 -10.217 1.00 0.00 H new ATOM 0 HG3 MET A 12 12.766 -5.002 -9.656 1.00 0.00 H new ATOM 0 HE1 MET A 12 9.732 -4.584 -6.488 1.00 0.00 H new ATOM 0 HE2 MET A 12 9.649 -3.903 -8.130 1.00 0.00 H new ATOM 0 HE3 MET A 12 8.846 -5.449 -7.767 1.00 0.00 H new ATOM 185 N GLY A 13 13.919 -0.335 -9.004 1.00 0.00 N ATOM 186 CA GLY A 13 13.945 1.062 -9.403 1.00 0.00 C ATOM 187 C GLY A 13 14.860 1.876 -8.486 1.00 0.00 C ATOM 188 O GLY A 13 15.998 2.174 -8.846 1.00 0.00 O ATOM 0 H GLY A 13 14.579 -0.580 -8.266 1.00 0.00 H new ATOM 0 HA2 GLY A 13 14.291 1.143 -10.433 1.00 0.00 H new ATOM 0 HA3 GLY A 13 12.935 1.472 -9.372 1.00 0.00 H new ATOM 192 N GLY A 14 14.329 2.213 -7.320 1.00 0.00 N ATOM 193 CA GLY A 14 15.084 2.987 -6.350 1.00 0.00 C ATOM 194 C GLY A 14 14.151 3.667 -5.346 1.00 0.00 C ATOM 195 O GLY A 14 12.965 3.348 -5.280 1.00 0.00 O ATOM 0 H GLY A 14 13.385 1.964 -7.025 1.00 0.00 H new ATOM 0 HA2 GLY A 14 15.780 2.335 -5.822 1.00 0.00 H new ATOM 0 HA3 GLY A 14 15.681 3.740 -6.865 1.00 0.00 H new ATOM 199 N CYS A 15 14.722 4.592 -4.589 1.00 0.00 N ATOM 200 CA CYS A 15 13.956 5.320 -3.592 1.00 0.00 C ATOM 201 C CYS A 15 13.039 6.308 -4.316 1.00 0.00 C ATOM 202 O CYS A 15 12.070 6.799 -3.740 1.00 0.00 O ATOM 203 CB CYS A 15 14.866 6.023 -2.582 1.00 0.00 C ATOM 204 SG CYS A 15 15.876 4.900 -1.548 1.00 0.00 S ATOM 0 H CYS A 15 15.706 4.854 -4.646 1.00 0.00 H new ATOM 0 HA CYS A 15 13.351 4.621 -3.014 1.00 0.00 H new ATOM 0 HB2 CYS A 15 15.533 6.696 -3.122 1.00 0.00 H new ATOM 0 HB3 CYS A 15 14.251 6.641 -1.928 1.00 0.00 H new ATOM 209 N GLU A 16 13.378 6.569 -5.570 1.00 0.00 N ATOM 210 CA GLU A 16 12.597 7.489 -6.380 1.00 0.00 C ATOM 211 C GLU A 16 11.385 6.772 -6.979 1.00 0.00 C ATOM 212 O GLU A 16 10.715 7.308 -7.859 1.00 0.00 O ATOM 213 CB GLU A 16 13.457 8.120 -7.476 1.00 0.00 C ATOM 214 CG GLU A 16 14.591 8.952 -6.873 1.00 0.00 C ATOM 215 CD GLU A 16 15.814 8.081 -6.579 1.00 0.00 C ATOM 216 OE1 GLU A 16 16.423 7.534 -7.510 1.00 0.00 O ATOM 217 OE2 GLU A 16 16.126 7.983 -5.331 1.00 0.00 O ATOM 0 H GLU A 16 14.183 6.160 -6.045 1.00 0.00 H new ATOM 0 HA GLU A 16 12.238 8.293 -5.737 1.00 0.00 H new ATOM 0 HB2 GLU A 16 13.873 7.338 -8.112 1.00 0.00 H new ATOM 0 HB3 GLU A 16 12.836 8.751 -8.112 1.00 0.00 H new ATOM 0 HG2 GLU A 16 14.866 9.751 -7.561 1.00 0.00 H new ATOM 0 HG3 GLU A 16 14.249 9.427 -5.954 1.00 0.00 H new ATOM 225 N ASN A 17 11.142 5.570 -6.477 1.00 0.00 N ATOM 226 CA ASN A 17 10.023 4.773 -6.952 1.00 0.00 C ATOM 227 C ASN A 17 8.716 5.378 -6.433 1.00 0.00 C ATOM 228 O ASN A 17 7.662 5.204 -7.043 1.00 0.00 O ATOM 229 CB ASN A 17 10.114 3.335 -6.440 1.00 0.00 C ATOM 230 CG ASN A 17 9.350 2.377 -7.357 1.00 0.00 C ATOM 231 OD1 ASN A 17 9.914 1.494 -7.983 1.00 0.00 O ATOM 232 ND2 ASN A 17 8.040 2.599 -7.400 1.00 0.00 N ATOM 0 H ASN A 17 11.700 5.129 -5.746 1.00 0.00 H new ATOM 0 HA ASN A 17 10.050 4.770 -8.042 1.00 0.00 H new ATOM 0 HB2 ASN A 17 11.159 3.032 -6.381 1.00 0.00 H new ATOM 0 HB3 ASN A 17 9.708 3.278 -5.430 1.00 0.00 H new ATOM 0 HD21 ASN A 17 7.442 2.013 -7.982 1.00 0.00 H new ATOM 0 HD22 ASN A 17 7.633 3.356 -6.851 1.00 0.00 H new ATOM 239 N CYS A 18 8.828 6.075 -5.312 1.00 0.00 N ATOM 240 CA CYS A 18 7.669 6.706 -4.704 1.00 0.00 C ATOM 241 C CYS A 18 8.128 7.993 -4.017 1.00 0.00 C ATOM 242 O CYS A 18 7.502 8.448 -3.061 1.00 0.00 O ATOM 243 CB CYS A 18 6.956 5.763 -3.732 1.00 0.00 C ATOM 244 SG CYS A 18 7.067 4.040 -4.338 1.00 0.00 S ATOM 0 H CYS A 18 9.704 6.217 -4.809 1.00 0.00 H new ATOM 0 HA CYS A 18 6.937 6.948 -5.475 1.00 0.00 H new ATOM 0 HB2 CYS A 18 7.406 5.839 -2.742 1.00 0.00 H new ATOM 0 HB3 CYS A 18 5.911 6.055 -3.630 1.00 0.00 H new ATOM 249 N HIS A 19 9.218 8.545 -4.531 1.00 0.00 N ATOM 250 CA HIS A 19 9.767 9.771 -3.978 1.00 0.00 C ATOM 251 C HIS A 19 10.372 10.615 -5.103 1.00 0.00 C ATOM 252 O HIS A 19 11.101 10.098 -5.948 1.00 0.00 O ATOM 253 CB HIS A 19 10.770 9.463 -2.864 1.00 0.00 C ATOM 254 CG HIS A 19 10.167 8.754 -1.675 1.00 0.00 C ATOM 255 ND1 HIS A 19 8.943 9.106 -1.133 1.00 0.00 N ATOM 256 CD2 HIS A 19 10.632 7.710 -0.930 1.00 0.00 C ATOM 257 CE1 HIS A 19 8.693 8.304 -0.108 1.00 0.00 C ATOM 258 NE2 HIS A 19 9.741 7.440 0.016 1.00 0.00 N ATOM 0 H HIS A 19 9.735 8.166 -5.324 1.00 0.00 H new ATOM 0 HA HIS A 19 8.970 10.356 -3.519 1.00 0.00 H new ATOM 0 HB2 HIS A 19 11.573 8.849 -3.272 1.00 0.00 H new ATOM 0 HB3 HIS A 19 11.222 10.396 -2.527 1.00 0.00 H new ATOM 0 HD1 HIS A 19 8.336 9.855 -1.466 1.00 0.00 H new ATOM 0 HD2 HIS A 19 11.567 7.191 -1.084 1.00 0.00 H new ATOM 0 HE1 HIS A 19 7.814 8.330 0.519 1.00 0.00 H new ATOM 266 N ALA A 20 10.046 11.899 -5.076 1.00 0.00 N ATOM 267 CA ALA A 20 10.547 12.819 -6.083 1.00 0.00 C ATOM 268 C ALA A 20 11.780 13.542 -5.537 1.00 0.00 C ATOM 269 O ALA A 20 11.707 14.209 -4.506 1.00 0.00 O ATOM 270 CB ALA A 20 9.435 13.787 -6.489 1.00 0.00 C ATOM 0 H ALA A 20 9.441 12.324 -4.373 1.00 0.00 H new ATOM 0 HA ALA A 20 10.851 12.279 -6.980 1.00 0.00 H new ATOM 0 HB1 ALA A 20 9.811 14.477 -7.244 1.00 0.00 H new ATOM 0 HB2 ALA A 20 8.595 13.225 -6.897 1.00 0.00 H new ATOM 0 HB3 ALA A 20 9.106 14.350 -5.616 1.00 0.00 H new ATOM 276 N ASP A 21 12.883 13.387 -6.254 1.00 0.00 N ATOM 277 CA ASP A 21 14.130 14.018 -5.854 1.00 0.00 C ATOM 278 C ASP A 21 14.312 13.865 -4.343 1.00 0.00 C ATOM 279 O ASP A 21 14.797 14.779 -3.677 1.00 0.00 O ATOM 280 CB ASP A 21 14.121 15.512 -6.181 1.00 0.00 C ATOM 281 CG ASP A 21 15.487 16.197 -6.114 1.00 0.00 C ATOM 282 OD1 ASP A 21 16.536 15.539 -6.183 1.00 0.00 O ATOM 283 OD2 ASP A 21 15.448 17.480 -5.984 1.00 0.00 O ATOM 0 H ASP A 21 12.940 12.834 -7.109 1.00 0.00 H new ATOM 0 HA ASP A 21 14.942 13.535 -6.398 1.00 0.00 H new ATOM 0 HB2 ASP A 21 13.713 15.647 -7.183 1.00 0.00 H new ATOM 0 HB3 ASP A 21 13.445 16.016 -5.490 1.00 0.00 H new ATOM 289 N GLY A 22 13.914 12.704 -3.845 1.00 0.00 N ATOM 290 CA GLY A 22 14.027 12.420 -2.425 1.00 0.00 C ATOM 291 C GLY A 22 13.280 13.467 -1.595 1.00 0.00 C ATOM 292 O GLY A 22 13.871 14.121 -0.737 1.00 0.00 O ATOM 0 H GLY A 22 13.512 11.948 -4.400 1.00 0.00 H new ATOM 0 HA2 GLY A 22 13.624 11.429 -2.215 1.00 0.00 H new ATOM 0 HA3 GLY A 22 15.078 12.404 -2.136 1.00 0.00 H new ATOM 296 N GLU A 23 11.992 13.592 -1.880 1.00 0.00 N ATOM 297 CA GLU A 23 11.159 14.548 -1.171 1.00 0.00 C ATOM 298 C GLU A 23 9.770 13.958 -0.920 1.00 0.00 C ATOM 299 O GLU A 23 8.798 14.261 -1.608 1.00 0.00 O ATOM 300 CB GLU A 23 11.063 15.868 -1.940 1.00 0.00 C ATOM 301 CG GLU A 23 10.895 17.049 -0.983 1.00 0.00 C ATOM 302 CD GLU A 23 10.250 18.242 -1.691 1.00 0.00 C ATOM 303 OE1 GLU A 23 9.037 18.229 -1.947 1.00 0.00 O ATOM 304 OE2 GLU A 23 11.056 19.208 -1.976 1.00 0.00 O ATOM 0 H GLU A 23 11.505 13.047 -2.592 1.00 0.00 H new ATOM 0 HA GLU A 23 11.622 14.759 -0.207 1.00 0.00 H new ATOM 0 HB2 GLU A 23 11.961 16.008 -2.542 1.00 0.00 H new ATOM 0 HB3 GLU A 23 10.219 15.831 -2.629 1.00 0.00 H new ATOM 0 HG2 GLU A 23 10.280 16.749 -0.135 1.00 0.00 H new ATOM 0 HG3 GLU A 23 11.867 17.340 -0.585 1.00 0.00 H new ATOM 312 N PRO A 24 9.699 13.095 0.096 1.00 0.00 N ATOM 313 CA PRO A 24 8.488 12.420 0.511 1.00 0.00 C ATOM 314 C PRO A 24 7.347 13.425 0.595 1.00 0.00 C ATOM 315 O PRO A 24 7.473 14.405 1.327 1.00 0.00 O ATOM 316 CB PRO A 24 8.812 11.844 1.887 1.00 0.00 C ATOM 317 CG PRO A 24 10.275 11.644 1.865 1.00 0.00 C ATOM 318 CD PRO A 24 10.822 12.716 0.926 1.00 0.00 C ATOM 0 HA PRO A 24 8.176 11.641 -0.185 1.00 0.00 H new ATOM 0 HB2 PRO A 24 8.516 12.527 2.683 1.00 0.00 H new ATOM 0 HB3 PRO A 24 8.285 10.906 2.059 1.00 0.00 H new ATOM 0 HG2 PRO A 24 10.699 11.744 2.864 1.00 0.00 H new ATOM 0 HG3 PRO A 24 10.529 10.645 1.510 1.00 0.00 H new ATOM 0 HD2 PRO A 24 11.207 13.570 1.483 1.00 0.00 H new ATOM 0 HD3 PRO A 24 11.645 12.331 0.324 1.00 0.00 H new ATOM 326 N SER A 25 6.276 13.170 -0.141 1.00 0.00 N ATOM 327 CA SER A 25 5.132 14.066 -0.134 1.00 0.00 C ATOM 328 C SER A 25 4.723 14.381 1.306 1.00 0.00 C ATOM 329 O SER A 25 5.018 13.613 2.221 1.00 0.00 O ATOM 330 CB SER A 25 3.954 13.462 -0.901 1.00 0.00 C ATOM 331 OG SER A 25 3.102 12.697 -0.053 1.00 0.00 O ATOM 0 H SER A 25 6.176 12.355 -0.747 1.00 0.00 H new ATOM 0 HA SER A 25 5.419 14.991 -0.634 1.00 0.00 H new ATOM 0 HB2 SER A 25 3.378 14.261 -1.369 1.00 0.00 H new ATOM 0 HB3 SER A 25 4.331 12.828 -1.704 1.00 0.00 H new ATOM 0 HG SER A 25 2.566 12.083 -0.596 1.00 0.00 H new ATOM 337 N LYS A 26 4.050 15.511 1.463 1.00 0.00 N ATOM 338 CA LYS A 26 3.598 15.937 2.776 1.00 0.00 C ATOM 339 C LYS A 26 2.077 15.790 2.859 1.00 0.00 C ATOM 340 O LYS A 26 1.411 16.567 3.541 1.00 0.00 O ATOM 341 CB LYS A 26 4.096 17.351 3.082 1.00 0.00 C ATOM 342 CG LYS A 26 3.534 18.360 2.078 1.00 0.00 C ATOM 343 CD LYS A 26 4.659 19.028 1.285 1.00 0.00 C ATOM 344 CE LYS A 26 4.299 19.126 -0.199 1.00 0.00 C ATOM 345 NZ LYS A 26 5.032 20.242 -0.837 1.00 0.00 N ATOM 0 H LYS A 26 3.807 16.145 0.702 1.00 0.00 H new ATOM 0 HA LYS A 26 4.024 15.299 3.551 1.00 0.00 H new ATOM 0 HB2 LYS A 26 3.800 17.634 4.092 1.00 0.00 H new ATOM 0 HB3 LYS A 26 5.185 17.371 3.052 1.00 0.00 H new ATOM 0 HG2 LYS A 26 2.851 17.856 1.394 1.00 0.00 H new ATOM 0 HG3 LYS A 26 2.955 19.119 2.605 1.00 0.00 H new ATOM 0 HD2 LYS A 26 4.848 20.025 1.684 1.00 0.00 H new ATOM 0 HD3 LYS A 26 5.580 18.458 1.403 1.00 0.00 H new ATOM 0 HE2 LYS A 26 4.542 18.189 -0.701 1.00 0.00 H new ATOM 0 HE3 LYS A 26 3.225 19.278 -0.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 4.776 20.295 -1.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 4.780 21.136 -0.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 6.056 20.081 -0.748 1.00 0.00 H new ATOM 358 N ASP A 27 1.572 14.786 2.156 1.00 0.00 N ATOM 359 CA ASP A 27 0.143 14.527 2.142 1.00 0.00 C ATOM 360 C ASP A 27 -0.097 13.018 2.061 1.00 0.00 C ATOM 361 O ASP A 27 -0.675 12.428 2.972 1.00 0.00 O ATOM 362 CB ASP A 27 -0.523 15.177 0.928 1.00 0.00 C ATOM 363 CG ASP A 27 0.290 15.114 -0.367 1.00 0.00 C ATOM 364 OD1 ASP A 27 1.456 14.692 -0.369 1.00 0.00 O ATOM 365 OD2 ASP A 27 -0.329 15.528 -1.420 1.00 0.00 O ATOM 0 H ASP A 27 2.128 14.143 1.592 1.00 0.00 H new ATOM 0 HA ASP A 27 -0.284 14.944 3.054 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -1.486 14.694 0.759 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -0.727 16.222 1.161 1.00 0.00 H new ATOM 371 N GLY A 28 0.361 12.437 0.962 1.00 0.00 N ATOM 372 CA GLY A 28 0.204 11.008 0.750 1.00 0.00 C ATOM 373 C GLY A 28 -0.475 10.724 -0.592 1.00 0.00 C ATOM 374 O GLY A 28 -0.194 9.712 -1.232 1.00 0.00 O ATOM 0 H GLY A 28 0.841 12.930 0.209 1.00 0.00 H new ATOM 0 HA2 GLY A 28 1.180 10.523 0.778 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -0.388 10.580 1.559 1.00 0.00 H new ATOM 378 N ALA A 29 -1.355 11.636 -0.978 1.00 0.00 N ATOM 379 CA ALA A 29 -2.077 11.496 -2.231 1.00 0.00 C ATOM 380 C ALA A 29 -1.075 11.435 -3.387 1.00 0.00 C ATOM 381 O ALA A 29 -1.191 10.632 -4.310 1.00 0.00 O ATOM 382 CB ALA A 29 -3.070 12.650 -2.381 1.00 0.00 C ATOM 0 H ALA A 29 -1.584 12.475 -0.445 1.00 0.00 H new ATOM 0 HA ALA A 29 -2.651 10.569 -2.242 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -3.611 12.544 -3.321 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -3.777 12.632 -1.551 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -2.530 13.597 -2.377 1.00 0.00 H new ATOM 388 N TYR A 30 -0.075 12.316 -3.313 1.00 0.00 N ATOM 389 CA TYR A 30 0.955 12.388 -4.330 1.00 0.00 C ATOM 390 C TYR A 30 1.582 11.016 -4.528 1.00 0.00 C ATOM 391 O TYR A 30 1.758 10.602 -5.673 1.00 0.00 O ATOM 392 CB TYR A 30 2.009 13.410 -3.912 1.00 0.00 C ATOM 393 CG TYR A 30 3.062 13.655 -4.967 1.00 0.00 C ATOM 394 CD1 TYR A 30 2.687 13.817 -6.306 1.00 0.00 C ATOM 395 CD2 TYR A 30 4.413 13.719 -4.606 1.00 0.00 C ATOM 396 CE1 TYR A 30 3.663 14.043 -7.284 1.00 0.00 C ATOM 397 CE2 TYR A 30 5.389 13.946 -5.583 1.00 0.00 C ATOM 398 CZ TYR A 30 5.014 14.108 -6.923 1.00 0.00 C ATOM 399 OH TYR A 30 5.965 14.328 -7.875 1.00 0.00 O ATOM 0 H TYR A 30 0.036 12.988 -2.554 1.00 0.00 H new ATOM 0 HA TYR A 30 0.516 12.704 -5.277 1.00 0.00 H new ATOM 0 HB2 TYR A 30 1.516 14.353 -3.676 1.00 0.00 H new ATOM 0 HB3 TYR A 30 2.494 13.067 -2.998 1.00 0.00 H new ATOM 0 HD1 TYR A 30 1.645 13.768 -6.585 1.00 0.00 H new ATOM 0 HD2 TYR A 30 4.702 13.593 -3.573 1.00 0.00 H new ATOM 0 HE1 TYR A 30 3.374 14.167 -8.317 1.00 0.00 H new ATOM 0 HE2 TYR A 30 6.431 13.996 -5.304 1.00 0.00 H new ATOM 0 HH TYR A 30 6.807 14.582 -7.443 1.00 0.00 H new ATOM 409 N GLU A 31 1.901 10.346 -3.430 1.00 0.00 N ATOM 410 CA GLU A 31 2.505 9.026 -3.508 1.00 0.00 C ATOM 411 C GLU A 31 1.499 8.014 -4.060 1.00 0.00 C ATOM 412 O GLU A 31 1.820 7.244 -4.964 1.00 0.00 O ATOM 413 CB GLU A 31 3.034 8.584 -2.142 1.00 0.00 C ATOM 414 CG GLU A 31 4.558 8.449 -2.162 1.00 0.00 C ATOM 415 CD GLU A 31 5.229 9.742 -1.694 1.00 0.00 C ATOM 416 OE1 GLU A 31 5.680 10.543 -2.527 1.00 0.00 O ATOM 417 OE2 GLU A 31 5.272 9.902 -0.415 1.00 0.00 O ATOM 0 H GLU A 31 1.753 10.692 -2.482 1.00 0.00 H new ATOM 0 HA GLU A 31 3.353 9.075 -4.191 1.00 0.00 H new ATOM 0 HB2 GLU A 31 2.739 9.308 -1.382 1.00 0.00 H new ATOM 0 HB3 GLU A 31 2.584 7.630 -1.865 1.00 0.00 H new ATOM 0 HG2 GLU A 31 4.862 7.624 -1.518 1.00 0.00 H new ATOM 0 HG3 GLU A 31 4.892 8.206 -3.171 1.00 0.00 H new ATOM 425 N PHE A 32 0.302 8.048 -3.493 1.00 0.00 N ATOM 426 CA PHE A 32 -0.753 7.143 -3.918 1.00 0.00 C ATOM 427 C PHE A 32 -0.855 7.097 -5.444 1.00 0.00 C ATOM 428 O PHE A 32 -1.324 6.110 -6.008 1.00 0.00 O ATOM 429 CB PHE A 32 -2.065 7.686 -3.347 1.00 0.00 C ATOM 430 CG PHE A 32 -3.316 7.024 -3.925 1.00 0.00 C ATOM 431 CD1 PHE A 32 -3.336 5.682 -4.147 1.00 0.00 C ATOM 432 CD2 PHE A 32 -4.410 7.777 -4.219 1.00 0.00 C ATOM 433 CE1 PHE A 32 -4.497 5.068 -4.684 1.00 0.00 C ATOM 434 CE2 PHE A 32 -5.572 7.163 -4.756 1.00 0.00 C ATOM 435 CZ PHE A 32 -5.591 5.821 -4.977 1.00 0.00 C ATOM 0 H PHE A 32 0.039 8.688 -2.743 1.00 0.00 H new ATOM 0 HA PHE A 32 -0.542 6.134 -3.564 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -2.062 7.551 -2.265 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -2.115 8.759 -3.534 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -2.468 5.084 -3.914 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -4.395 8.843 -4.044 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -4.512 4.003 -4.860 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -6.440 7.761 -4.989 1.00 0.00 H new ATOM 0 HZ PHE A 32 -6.475 5.353 -5.385 1.00 0.00 H new ATOM 445 N GLU A 33 -0.408 8.177 -6.068 1.00 0.00 N ATOM 446 CA GLU A 33 -0.444 8.273 -7.517 1.00 0.00 C ATOM 447 C GLU A 33 0.579 7.318 -8.137 1.00 0.00 C ATOM 448 O GLU A 33 0.288 6.648 -9.127 1.00 0.00 O ATOM 449 CB GLU A 33 -0.200 9.711 -7.978 1.00 0.00 C ATOM 450 CG GLU A 33 -1.474 10.321 -8.568 1.00 0.00 C ATOM 451 CD GLU A 33 -1.138 11.366 -9.634 1.00 0.00 C ATOM 452 OE1 GLU A 33 -0.579 11.021 -10.686 1.00 0.00 O ATOM 453 OE2 GLU A 33 -1.480 12.574 -9.339 1.00 0.00 O ATOM 0 H GLU A 33 -0.019 8.993 -5.596 1.00 0.00 H new ATOM 0 HA GLU A 33 -1.438 7.981 -7.856 1.00 0.00 H new ATOM 0 HB2 GLU A 33 0.140 10.314 -7.136 1.00 0.00 H new ATOM 0 HB3 GLU A 33 0.595 9.728 -8.724 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -2.089 9.535 -9.005 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.062 10.782 -7.774 1.00 0.00 H new ATOM 461 N GLN A 34 1.755 7.286 -7.528 1.00 0.00 N ATOM 462 CA GLN A 34 2.823 6.424 -8.008 1.00 0.00 C ATOM 463 C GLN A 34 2.332 4.979 -8.112 1.00 0.00 C ATOM 464 O GLN A 34 2.722 4.251 -9.023 1.00 0.00 O ATOM 465 CB GLN A 34 4.054 6.521 -7.105 1.00 0.00 C ATOM 466 CG GLN A 34 4.651 7.929 -7.142 1.00 0.00 C ATOM 467 CD GLN A 34 4.700 8.466 -8.574 1.00 0.00 C ATOM 468 OE1 GLN A 34 4.989 7.754 -9.522 1.00 0.00 O ATOM 469 NE2 GLN A 34 4.402 9.758 -8.678 1.00 0.00 N ATOM 0 H GLN A 34 1.992 7.843 -6.707 1.00 0.00 H new ATOM 0 HA GLN A 34 3.116 6.760 -9.003 1.00 0.00 H new ATOM 0 HB2 GLN A 34 3.780 6.265 -6.082 1.00 0.00 H new ATOM 0 HB3 GLN A 34 4.802 5.796 -7.425 1.00 0.00 H new ATOM 0 HG2 GLN A 34 4.056 8.597 -6.519 1.00 0.00 H new ATOM 0 HG3 GLN A 34 5.656 7.913 -6.721 1.00 0.00 H new ATOM 0 HE21 GLN A 34 4.169 10.296 -7.844 1.00 0.00 H new ATOM 0 HE22 GLN A 34 4.407 10.210 -9.592 1.00 0.00 H new ATOM 478 N CYS A 35 1.483 4.606 -7.165 1.00 0.00 N ATOM 479 CA CYS A 35 0.935 3.261 -7.138 1.00 0.00 C ATOM 480 C CYS A 35 -0.304 3.229 -8.035 1.00 0.00 C ATOM 481 O CYS A 35 -1.363 2.759 -7.622 1.00 0.00 O ATOM 482 CB CYS A 35 0.618 2.807 -5.712 1.00 0.00 C ATOM 483 SG CYS A 35 1.610 3.624 -4.409 1.00 0.00 S ATOM 0 H CYS A 35 1.161 5.213 -6.411 1.00 0.00 H new ATOM 0 HA CYS A 35 1.676 2.557 -7.517 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -0.438 2.990 -5.514 1.00 0.00 H new ATOM 0 HB3 CYS A 35 0.773 1.730 -5.646 1.00 0.00 H new ATOM 488 N GLN A 36 -0.131 3.736 -9.247 1.00 0.00 N ATOM 489 CA GLN A 36 -1.222 3.772 -10.207 1.00 0.00 C ATOM 490 C GLN A 36 -0.676 3.697 -11.634 1.00 0.00 C ATOM 491 O GLN A 36 -0.847 4.629 -12.417 1.00 0.00 O ATOM 492 CB GLN A 36 -2.082 5.022 -10.013 1.00 0.00 C ATOM 493 CG GLN A 36 -3.531 4.648 -9.698 1.00 0.00 C ATOM 494 CD GLN A 36 -4.183 5.695 -8.793 1.00 0.00 C ATOM 495 OE1 GLN A 36 -5.239 6.234 -9.084 1.00 0.00 O ATOM 496 NE2 GLN A 36 -3.498 5.953 -7.682 1.00 0.00 N ATOM 0 H GLN A 36 0.749 4.125 -9.586 1.00 0.00 H new ATOM 0 HA GLN A 36 -1.859 2.904 -10.037 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -1.674 5.626 -9.202 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -2.049 5.634 -10.914 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -4.097 4.560 -10.625 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -3.561 3.673 -9.212 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -2.621 5.466 -7.499 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -3.850 6.638 -7.013 1.00 0.00 H new ATOM 505 N SER A 37 -0.031 2.578 -11.929 1.00 0.00 N ATOM 506 CA SER A 37 0.541 2.369 -13.248 1.00 0.00 C ATOM 507 C SER A 37 0.914 0.896 -13.429 1.00 0.00 C ATOM 508 O SER A 37 0.239 0.166 -14.154 1.00 0.00 O ATOM 509 CB SER A 37 1.767 3.257 -13.464 1.00 0.00 C ATOM 510 OG SER A 37 1.443 4.643 -13.385 1.00 0.00 O ATOM 0 H SER A 37 0.108 1.806 -11.277 1.00 0.00 H new ATOM 0 HA SER A 37 -0.207 2.642 -13.992 1.00 0.00 H new ATOM 0 HB2 SER A 37 2.524 3.018 -12.717 1.00 0.00 H new ATOM 0 HB3 SER A 37 2.203 3.042 -14.439 1.00 0.00 H new ATOM 0 HG SER A 37 0.472 4.756 -13.452 1.00 0.00 H new ATOM 516 N CYS A 38 1.988 0.504 -12.759 1.00 0.00 N ATOM 517 CA CYS A 38 2.459 -0.868 -12.838 1.00 0.00 C ATOM 518 C CYS A 38 1.405 -1.775 -12.198 1.00 0.00 C ATOM 519 O CYS A 38 1.455 -2.994 -12.351 1.00 0.00 O ATOM 520 CB CYS A 38 3.830 -1.034 -12.180 1.00 0.00 C ATOM 521 SG CYS A 38 4.916 0.367 -12.634 1.00 0.00 S ATOM 0 H CYS A 38 2.545 1.113 -12.159 1.00 0.00 H new ATOM 0 HA CYS A 38 2.594 -1.150 -13.882 1.00 0.00 H new ATOM 0 HB2 CYS A 38 3.719 -1.083 -11.097 1.00 0.00 H new ATOM 0 HB3 CYS A 38 4.283 -1.973 -12.497 1.00 0.00 H new ATOM 526 N HIS A 39 0.477 -1.145 -11.493 1.00 0.00 N ATOM 527 CA HIS A 39 -0.586 -1.879 -10.830 1.00 0.00 C ATOM 528 C HIS A 39 -1.937 -1.481 -11.429 1.00 0.00 C ATOM 529 O HIS A 39 -2.411 -2.111 -12.373 1.00 0.00 O ATOM 530 CB HIS A 39 -0.526 -1.673 -9.315 1.00 0.00 C ATOM 531 CG HIS A 39 0.716 -2.237 -8.667 1.00 0.00 C ATOM 532 ND1 HIS A 39 1.046 -3.580 -8.723 1.00 0.00 N ATOM 533 CD2 HIS A 39 1.703 -1.627 -7.951 1.00 0.00 C ATOM 534 CE1 HIS A 39 2.183 -3.759 -8.066 1.00 0.00 C ATOM 535 NE2 HIS A 39 2.588 -2.547 -7.588 1.00 0.00 N ATOM 0 H HIS A 39 0.440 -0.134 -11.367 1.00 0.00 H new ATOM 0 HA HIS A 39 -0.454 -2.948 -10.999 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -0.582 -0.606 -9.101 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -1.402 -2.135 -8.861 1.00 0.00 H new ATOM 0 HD1 HIS A 39 0.506 -4.308 -9.190 1.00 0.00 H new ATOM 0 HD2 HIS A 39 1.756 -0.574 -7.719 1.00 0.00 H new ATOM 0 HE1 HIS A 39 2.698 -4.699 -7.933 1.00 0.00 H new ATOM 543 N GLY A 40 -2.518 -0.437 -10.856 1.00 0.00 N ATOM 544 CA GLY A 40 -3.804 0.053 -11.321 1.00 0.00 C ATOM 545 C GLY A 40 -4.561 0.761 -10.196 1.00 0.00 C ATOM 546 O GLY A 40 -3.953 1.243 -9.241 1.00 0.00 O ATOM 0 H GLY A 40 -2.121 0.083 -10.073 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -3.656 0.741 -12.153 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -4.399 -0.779 -11.697 1.00 0.00 H new ATOM 550 N SER A 41 -5.877 0.803 -10.345 1.00 0.00 N ATOM 551 CA SER A 41 -6.723 1.444 -9.354 1.00 0.00 C ATOM 552 C SER A 41 -7.440 0.385 -8.514 1.00 0.00 C ATOM 553 O SER A 41 -7.770 -0.689 -9.013 1.00 0.00 O ATOM 554 CB SER A 41 -7.740 2.375 -10.017 1.00 0.00 C ATOM 555 OG SER A 41 -8.927 2.509 -9.239 1.00 0.00 O ATOM 0 H SER A 41 -6.378 0.403 -11.138 1.00 0.00 H new ATOM 0 HA SER A 41 -6.090 2.047 -8.703 1.00 0.00 H new ATOM 0 HB2 SER A 41 -7.290 3.357 -10.165 1.00 0.00 H new ATOM 0 HB3 SER A 41 -7.995 1.989 -11.004 1.00 0.00 H new ATOM 0 HG SER A 41 -9.550 3.112 -9.695 1.00 0.00 H new ATOM 561 N LEU A 42 -7.661 0.726 -7.253 1.00 0.00 N ATOM 562 CA LEU A 42 -8.333 -0.182 -6.339 1.00 0.00 C ATOM 563 C LEU A 42 -9.682 -0.590 -6.933 1.00 0.00 C ATOM 564 O LEU A 42 -10.139 -1.715 -6.732 1.00 0.00 O ATOM 565 CB LEU A 42 -8.438 0.441 -4.945 1.00 0.00 C ATOM 566 CG LEU A 42 -7.122 0.900 -4.315 1.00 0.00 C ATOM 567 CD1 LEU A 42 -7.309 2.209 -3.546 1.00 0.00 C ATOM 568 CD2 LEU A 42 -6.522 -0.200 -3.437 1.00 0.00 C ATOM 0 H LEU A 42 -7.387 1.619 -6.843 1.00 0.00 H new ATOM 0 HA LEU A 42 -7.751 -1.095 -6.212 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -9.109 1.298 -5.001 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -8.903 -0.285 -4.278 1.00 0.00 H new ATOM 0 HG LEU A 42 -6.410 1.097 -5.116 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -6.358 2.513 -3.108 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -7.659 2.984 -4.227 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -8.043 2.064 -2.754 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -5.587 0.152 -3.001 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -7.222 -0.452 -2.640 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -6.329 -1.085 -4.043 1.00 0.00 H new ATOM 580 N ALA A 43 -10.283 0.345 -7.654 1.00 0.00 N ATOM 581 CA ALA A 43 -11.571 0.097 -8.280 1.00 0.00 C ATOM 582 C ALA A 43 -11.385 -0.866 -9.454 1.00 0.00 C ATOM 583 O ALA A 43 -12.360 -1.298 -10.067 1.00 0.00 O ATOM 584 CB ALA A 43 -12.196 1.426 -8.708 1.00 0.00 C ATOM 0 H ALA A 43 -9.902 1.277 -7.819 1.00 0.00 H new ATOM 0 HA ALA A 43 -12.257 -0.372 -7.574 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -13.162 1.239 -9.177 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -12.334 2.061 -7.833 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -11.538 1.925 -9.419 1.00 0.00 H new ATOM 590 N GLU A 44 -10.127 -1.174 -9.733 1.00 0.00 N ATOM 591 CA GLU A 44 -9.801 -2.077 -10.823 1.00 0.00 C ATOM 592 C GLU A 44 -9.014 -3.280 -10.299 1.00 0.00 C ATOM 593 O GLU A 44 -8.258 -3.903 -11.043 1.00 0.00 O ATOM 594 CB GLU A 44 -9.025 -1.351 -11.924 1.00 0.00 C ATOM 595 CG GLU A 44 -9.564 -1.718 -13.308 1.00 0.00 C ATOM 596 CD GLU A 44 -10.686 -0.767 -13.729 1.00 0.00 C ATOM 597 OE1 GLU A 44 -10.482 0.080 -14.612 1.00 0.00 O ATOM 598 OE2 GLU A 44 -11.803 -0.931 -13.105 1.00 0.00 O ATOM 0 H GLU A 44 -9.321 -0.814 -9.222 1.00 0.00 H new ATOM 0 HA GLU A 44 -10.732 -2.439 -11.259 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -9.098 -0.274 -11.775 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -7.968 -1.611 -11.861 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -8.756 -1.679 -14.039 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -9.936 -2.743 -13.298 1.00 0.00 H new ATOM 606 N MET A 45 -9.218 -3.569 -9.022 1.00 0.00 N ATOM 607 CA MET A 45 -8.537 -4.686 -8.390 1.00 0.00 C ATOM 608 C MET A 45 -9.535 -5.757 -7.946 1.00 0.00 C ATOM 609 O MET A 45 -10.720 -5.677 -8.266 1.00 0.00 O ATOM 610 CB MET A 45 -7.753 -4.184 -7.176 1.00 0.00 C ATOM 611 CG MET A 45 -6.611 -3.260 -7.604 1.00 0.00 C ATOM 612 SD MET A 45 -5.290 -3.327 -6.405 1.00 0.00 S ATOM 613 CE MET A 45 -4.316 -1.929 -6.940 1.00 0.00 C ATOM 0 H MET A 45 -9.845 -3.049 -8.408 1.00 0.00 H new ATOM 0 HA MET A 45 -7.856 -5.130 -9.116 1.00 0.00 H new ATOM 0 HB2 MET A 45 -8.423 -3.651 -6.501 1.00 0.00 H new ATOM 0 HB3 MET A 45 -7.351 -5.032 -6.622 1.00 0.00 H new ATOM 0 HG2 MET A 45 -6.239 -3.558 -8.584 1.00 0.00 H new ATOM 0 HG3 MET A 45 -6.976 -2.237 -7.699 1.00 0.00 H new ATOM 0 HE1 MET A 45 -3.399 -2.283 -7.411 1.00 0.00 H new ATOM 0 HE2 MET A 45 -4.888 -1.340 -7.657 1.00 0.00 H new ATOM 0 HE3 MET A 45 -4.066 -1.309 -6.079 1.00 0.00 H new ATOM 623 N ASP A 46 -9.019 -6.735 -7.216 1.00 0.00 N ATOM 624 CA ASP A 46 -9.850 -7.821 -6.726 1.00 0.00 C ATOM 625 C ASP A 46 -11.088 -7.240 -6.040 1.00 0.00 C ATOM 626 O ASP A 46 -11.240 -6.023 -5.953 1.00 0.00 O ATOM 627 CB ASP A 46 -9.097 -8.672 -5.701 1.00 0.00 C ATOM 628 CG ASP A 46 -7.728 -8.127 -5.290 1.00 0.00 C ATOM 629 OD1 ASP A 46 -7.400 -8.057 -4.096 1.00 0.00 O ATOM 630 OD2 ASP A 46 -6.971 -7.761 -6.269 1.00 0.00 O ATOM 0 H ASP A 46 -8.036 -6.798 -6.952 1.00 0.00 H new ATOM 0 HA ASP A 46 -10.128 -8.443 -7.577 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -9.715 -8.771 -4.809 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -8.965 -9.674 -6.110 1.00 0.00 H new ATOM 636 N ASP A 47 -11.941 -8.139 -5.570 1.00 0.00 N ATOM 637 CA ASP A 47 -13.161 -7.730 -4.894 1.00 0.00 C ATOM 638 C ASP A 47 -12.849 -7.422 -3.428 1.00 0.00 C ATOM 639 O ASP A 47 -13.758 -7.206 -2.628 1.00 0.00 O ATOM 640 CB ASP A 47 -14.210 -8.844 -4.930 1.00 0.00 C ATOM 641 CG ASP A 47 -15.156 -8.802 -6.131 1.00 0.00 C ATOM 642 OD1 ASP A 47 -14.739 -9.009 -7.280 1.00 0.00 O ATOM 643 OD2 ASP A 47 -16.388 -8.542 -5.847 1.00 0.00 O ATOM 0 H ASP A 47 -11.812 -9.148 -5.644 1.00 0.00 H new ATOM 0 HA ASP A 47 -13.551 -6.850 -5.405 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -13.697 -9.806 -4.924 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -14.803 -8.793 -4.017 1.00 0.00 H new ATOM 649 N ASN A 48 -11.560 -7.412 -3.121 1.00 0.00 N ATOM 650 CA ASN A 48 -11.116 -7.134 -1.766 1.00 0.00 C ATOM 651 C ASN A 48 -10.592 -5.698 -1.690 1.00 0.00 C ATOM 652 O ASN A 48 -10.656 -5.065 -0.637 1.00 0.00 O ATOM 653 CB ASN A 48 -9.981 -8.074 -1.354 1.00 0.00 C ATOM 654 CG ASN A 48 -10.319 -9.525 -1.700 1.00 0.00 C ATOM 655 OD1 ASN A 48 -11.403 -9.845 -2.161 1.00 0.00 O ATOM 656 ND2 ASN A 48 -9.335 -10.384 -1.451 1.00 0.00 N ATOM 0 H ASN A 48 -10.809 -7.592 -3.788 1.00 0.00 H new ATOM 0 HA ASN A 48 -11.964 -7.279 -1.097 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -9.060 -7.781 -1.858 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -9.800 -7.984 -0.283 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -9.463 -11.377 -1.646 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -8.452 -10.050 -1.065 1.00 0.00 H new ATOM 663 N HIS A 49 -10.085 -5.227 -2.820 1.00 0.00 N ATOM 664 CA HIS A 49 -9.550 -3.878 -2.894 1.00 0.00 C ATOM 665 C HIS A 49 -10.667 -2.904 -3.277 1.00 0.00 C ATOM 666 O HIS A 49 -10.713 -1.780 -2.778 1.00 0.00 O ATOM 667 CB HIS A 49 -8.358 -3.818 -3.851 1.00 0.00 C ATOM 668 CG HIS A 49 -7.088 -4.411 -3.287 1.00 0.00 C ATOM 669 ND1 HIS A 49 -6.843 -5.772 -3.263 1.00 0.00 N ATOM 670 CD2 HIS A 49 -5.997 -3.812 -2.728 1.00 0.00 C ATOM 671 CE1 HIS A 49 -5.655 -5.973 -2.711 1.00 0.00 C ATOM 672 NE2 HIS A 49 -5.133 -4.758 -2.380 1.00 0.00 N ATOM 0 H HIS A 49 -10.033 -5.755 -3.691 1.00 0.00 H new ATOM 0 HA HIS A 49 -9.172 -3.578 -1.916 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -8.616 -4.344 -4.770 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -8.173 -2.778 -4.120 1.00 0.00 H new ATOM 0 HD1 HIS A 49 -7.470 -6.498 -3.611 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -5.860 -2.749 -2.592 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -5.183 -6.931 -2.551 1.00 0.00 H new ATOM 680 N LYS A 50 -11.538 -3.369 -4.159 1.00 0.00 N ATOM 681 CA LYS A 50 -12.651 -2.553 -4.615 1.00 0.00 C ATOM 682 C LYS A 50 -13.391 -1.986 -3.402 1.00 0.00 C ATOM 683 O LYS A 50 -13.448 -0.779 -3.179 1.00 0.00 O ATOM 684 CB LYS A 50 -13.547 -3.351 -5.564 1.00 0.00 C ATOM 685 CG LYS A 50 -13.011 -3.299 -6.997 1.00 0.00 C ATOM 686 CD LYS A 50 -14.107 -3.648 -8.005 1.00 0.00 C ATOM 687 CE LYS A 50 -14.245 -5.164 -8.162 1.00 0.00 C ATOM 688 NZ LYS A 50 -15.077 -5.490 -9.342 1.00 0.00 N ATOM 0 H LYS A 50 -11.496 -4.301 -4.571 1.00 0.00 H new ATOM 0 HA LYS A 50 -12.289 -1.704 -5.195 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -13.604 -4.387 -5.231 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -14.560 -2.951 -5.536 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -12.622 -2.303 -7.208 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -12.179 -3.995 -7.103 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -15.056 -3.225 -7.676 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -13.875 -3.198 -8.970 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -13.259 -5.616 -8.269 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -14.694 -5.589 -7.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -15.160 -6.523 -9.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -16.024 -5.075 -9.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -14.633 -5.101 -10.198 1.00 0.00 H new ATOM 701 N PRO A 51 -13.965 -2.898 -2.614 1.00 0.00 N ATOM 702 CA PRO A 51 -14.712 -2.585 -1.415 1.00 0.00 C ATOM 703 C PRO A 51 -14.232 -1.258 -0.845 1.00 0.00 C ATOM 704 O PRO A 51 -15.066 -0.435 -0.472 1.00 0.00 O ATOM 705 CB PRO A 51 -14.412 -3.734 -0.455 1.00 0.00 C ATOM 706 CG PRO A 51 -14.283 -4.956 -1.505 1.00 0.00 C ATOM 707 CD PRO A 51 -13.917 -4.325 -2.847 1.00 0.00 C ATOM 0 HA PRO A 51 -15.782 -2.484 -1.597 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -13.495 -3.574 0.112 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -15.211 -3.890 0.269 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -13.519 -5.665 -1.186 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -15.220 -5.509 -1.577 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -12.925 -4.639 -3.173 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -14.618 -4.622 -3.627 1.00 0.00 H new ATOM 715 N HIS A 52 -12.921 -1.077 -0.786 1.00 0.00 N ATOM 716 CA HIS A 52 -12.358 0.154 -0.257 1.00 0.00 C ATOM 717 C HIS A 52 -12.406 1.243 -1.330 1.00 0.00 C ATOM 718 O HIS A 52 -13.035 2.282 -1.138 1.00 0.00 O ATOM 719 CB HIS A 52 -10.947 -0.083 0.285 1.00 0.00 C ATOM 720 CG HIS A 52 -10.893 -1.015 1.472 1.00 0.00 C ATOM 721 ND1 HIS A 52 -10.237 -2.233 1.439 1.00 0.00 N ATOM 722 CD2 HIS A 52 -11.419 -0.895 2.724 1.00 0.00 C ATOM 723 CE1 HIS A 52 -10.369 -2.812 2.623 1.00 0.00 C ATOM 724 NE2 HIS A 52 -11.103 -1.981 3.418 1.00 0.00 N ATOM 0 H HIS A 52 -12.232 -1.762 -1.096 1.00 0.00 H new ATOM 0 HA HIS A 52 -12.956 0.498 0.587 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -10.326 -0.491 -0.513 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -10.512 0.875 0.569 1.00 0.00 H new ATOM 0 HD1 HIS A 52 -9.737 -2.619 0.639 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -11.995 -0.058 3.089 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -9.967 -3.773 2.909 1.00 0.00 H new ATOM 732 N ASP A 53 -11.734 0.967 -2.438 1.00 0.00 N ATOM 733 CA ASP A 53 -11.692 1.911 -3.542 1.00 0.00 C ATOM 734 C ASP A 53 -12.076 3.301 -3.034 1.00 0.00 C ATOM 735 O ASP A 53 -13.252 3.661 -3.030 1.00 0.00 O ATOM 736 CB ASP A 53 -12.682 1.518 -4.640 1.00 0.00 C ATOM 737 CG ASP A 53 -13.009 2.626 -5.643 1.00 0.00 C ATOM 738 OD1 ASP A 53 -12.264 3.609 -5.774 1.00 0.00 O ATOM 739 OD2 ASP A 53 -14.094 2.448 -6.317 1.00 0.00 O ATOM 0 H ASP A 53 -11.214 0.103 -2.595 1.00 0.00 H new ATOM 0 HA ASP A 53 -10.681 1.908 -3.950 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -12.278 0.664 -5.184 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -13.609 1.188 -4.171 1.00 0.00 H new ATOM 745 N GLY A 54 -11.062 4.045 -2.617 1.00 0.00 N ATOM 746 CA GLY A 54 -11.280 5.389 -2.108 1.00 0.00 C ATOM 747 C GLY A 54 -11.673 5.358 -0.630 1.00 0.00 C ATOM 748 O GLY A 54 -12.771 5.779 -0.267 1.00 0.00 O ATOM 0 H GLY A 54 -10.088 3.743 -2.621 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -10.374 5.981 -2.235 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -12.064 5.878 -2.686 1.00 0.00 H new ATOM 752 N LEU A 55 -10.756 4.855 0.183 1.00 0.00 N ATOM 753 CA LEU A 55 -10.994 4.764 1.614 1.00 0.00 C ATOM 754 C LEU A 55 -9.665 4.909 2.357 1.00 0.00 C ATOM 755 O LEU A 55 -9.576 5.643 3.340 1.00 0.00 O ATOM 756 CB LEU A 55 -11.750 3.477 1.950 1.00 0.00 C ATOM 757 CG LEU A 55 -13.272 3.598 2.040 1.00 0.00 C ATOM 758 CD1 LEU A 55 -13.895 2.301 2.560 1.00 0.00 C ATOM 759 CD2 LEU A 55 -13.678 4.807 2.884 1.00 0.00 C ATOM 0 H LEU A 55 -9.847 4.506 -0.121 1.00 0.00 H new ATOM 0 HA LEU A 55 -11.636 5.579 1.947 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -11.509 2.730 1.194 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -11.378 3.099 2.902 1.00 0.00 H new ATOM 0 HG LEU A 55 -13.661 3.762 1.035 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -14.978 2.414 2.614 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -13.649 1.482 1.884 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -13.503 2.081 3.553 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -14.765 4.869 2.931 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -13.277 4.699 3.892 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -13.282 5.716 2.431 1.00 0.00 H new ATOM 771 N LEU A 56 -8.664 4.197 1.860 1.00 0.00 N ATOM 772 CA LEU A 56 -7.344 4.237 2.465 1.00 0.00 C ATOM 773 C LEU A 56 -6.284 4.043 1.378 1.00 0.00 C ATOM 774 O LEU A 56 -6.547 3.415 0.354 1.00 0.00 O ATOM 775 CB LEU A 56 -7.247 3.224 3.607 1.00 0.00 C ATOM 776 CG LEU A 56 -8.246 2.066 3.563 1.00 0.00 C ATOM 777 CD1 LEU A 56 -8.300 1.440 2.168 1.00 0.00 C ATOM 778 CD2 LEU A 56 -7.933 1.030 4.644 1.00 0.00 C ATOM 0 H LEU A 56 -8.741 3.589 1.045 1.00 0.00 H new ATOM 0 HA LEU A 56 -7.162 5.211 2.918 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -6.239 2.808 3.613 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -7.378 3.755 4.550 1.00 0.00 H new ATOM 0 HG LEU A 56 -9.238 2.464 3.776 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -9.018 0.620 2.165 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -8.607 2.194 1.443 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -7.314 1.060 1.901 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -8.658 0.218 4.590 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -6.930 0.632 4.487 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -7.987 1.501 5.626 1.00 0.00 H new ATOM 790 N MET A 57 -5.107 4.593 1.640 1.00 0.00 N ATOM 791 CA MET A 57 -4.006 4.488 0.697 1.00 0.00 C ATOM 792 C MET A 57 -3.397 3.085 0.720 1.00 0.00 C ATOM 793 O MET A 57 -3.636 2.315 1.648 1.00 0.00 O ATOM 794 CB MET A 57 -2.931 5.518 1.051 1.00 0.00 C ATOM 795 CG MET A 57 -1.959 5.718 -0.113 1.00 0.00 C ATOM 796 SD MET A 57 -1.020 7.217 0.126 1.00 0.00 S ATOM 797 CE MET A 57 0.550 6.712 -0.557 1.00 0.00 C ATOM 0 H MET A 57 -4.892 5.112 2.491 1.00 0.00 H new ATOM 0 HA MET A 57 -4.390 4.680 -0.305 1.00 0.00 H new ATOM 0 HB2 MET A 57 -3.402 6.468 1.304 1.00 0.00 H new ATOM 0 HB3 MET A 57 -2.384 5.189 1.934 1.00 0.00 H new ATOM 0 HG2 MET A 57 -1.285 4.865 -0.185 1.00 0.00 H new ATOM 0 HG3 MET A 57 -2.509 5.770 -1.052 1.00 0.00 H new ATOM 0 HE1 MET A 57 1.259 7.537 -0.487 1.00 0.00 H new ATOM 0 HE2 MET A 57 0.931 5.857 0.001 1.00 0.00 H new ATOM 0 HE3 MET A 57 0.419 6.434 -1.603 1.00 0.00 H new ATOM 807 N CYS A 58 -2.621 2.795 -0.315 1.00 0.00 N ATOM 808 CA CYS A 58 -1.975 1.498 -0.425 1.00 0.00 C ATOM 809 C CYS A 58 -1.100 1.290 0.812 1.00 0.00 C ATOM 810 O CYS A 58 -1.433 0.490 1.685 1.00 0.00 O ATOM 811 CB CYS A 58 -1.171 1.375 -1.721 1.00 0.00 C ATOM 812 SG CYS A 58 -2.043 1.950 -3.223 1.00 0.00 S ATOM 0 H CYS A 58 -2.425 3.436 -1.084 1.00 0.00 H new ATOM 0 HA CYS A 58 -2.732 0.715 -0.468 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -0.247 1.944 -1.614 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -0.889 0.331 -1.859 1.00 0.00 H new ATOM 817 N ALA A 59 0.002 2.024 0.848 1.00 0.00 N ATOM 818 CA ALA A 59 0.928 1.930 1.964 1.00 0.00 C ATOM 819 C ALA A 59 0.138 1.809 3.268 1.00 0.00 C ATOM 820 O ALA A 59 0.357 0.882 4.047 1.00 0.00 O ATOM 821 CB ALA A 59 1.860 3.144 1.958 1.00 0.00 C ATOM 0 H ALA A 59 0.275 2.687 0.122 1.00 0.00 H new ATOM 0 HA ALA A 59 1.551 1.040 1.872 1.00 0.00 H new ATOM 0 HB1 ALA A 59 2.555 3.074 2.795 1.00 0.00 H new ATOM 0 HB2 ALA A 59 2.420 3.168 1.023 1.00 0.00 H new ATOM 0 HB3 ALA A 59 1.270 4.056 2.052 1.00 0.00 H new ATOM 827 N ASP A 60 -0.765 2.758 3.466 1.00 0.00 N ATOM 828 CA ASP A 60 -1.589 2.770 4.663 1.00 0.00 C ATOM 829 C ASP A 60 -1.934 1.331 5.052 1.00 0.00 C ATOM 830 O ASP A 60 -2.056 1.017 6.235 1.00 0.00 O ATOM 831 CB ASP A 60 -2.900 3.521 4.422 1.00 0.00 C ATOM 832 CG ASP A 60 -3.747 3.761 5.673 1.00 0.00 C ATOM 833 OD1 ASP A 60 -4.226 2.813 6.311 1.00 0.00 O ATOM 834 OD2 ASP A 60 -3.911 5.001 5.991 1.00 0.00 O ATOM 0 H ASP A 60 -0.944 3.524 2.817 1.00 0.00 H new ATOM 0 HA ASP A 60 -1.028 3.268 5.454 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -2.671 4.484 3.966 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -3.495 2.961 3.701 1.00 0.00 H new ATOM 840 N CYS A 61 -2.081 0.495 4.035 1.00 0.00 N ATOM 841 CA CYS A 61 -2.410 -0.903 4.257 1.00 0.00 C ATOM 842 C CYS A 61 -1.147 -1.735 4.026 1.00 0.00 C ATOM 843 O CYS A 61 -0.843 -2.637 4.806 1.00 0.00 O ATOM 844 CB CYS A 61 -3.566 -1.361 3.365 1.00 0.00 C ATOM 845 SG CYS A 61 -5.024 -1.771 4.391 1.00 0.00 S ATOM 0 H CYS A 61 -1.978 0.759 3.055 1.00 0.00 H new ATOM 0 HA CYS A 61 -2.753 -1.040 5.282 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -3.821 -0.575 2.654 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -3.264 -2.232 2.783 1.00 0.00 H new ATOM 850 N HIS A 62 -0.446 -1.404 2.952 1.00 0.00 N ATOM 851 CA HIS A 62 0.777 -2.109 2.609 1.00 0.00 C ATOM 852 C HIS A 62 1.982 -1.347 3.163 1.00 0.00 C ATOM 853 O HIS A 62 2.890 -0.985 2.416 1.00 0.00 O ATOM 854 CB HIS A 62 0.866 -2.342 1.100 1.00 0.00 C ATOM 855 CG HIS A 62 -0.188 -3.279 0.560 1.00 0.00 C ATOM 856 ND1 HIS A 62 -0.314 -4.590 0.986 1.00 0.00 N ATOM 857 CD2 HIS A 62 -1.163 -3.082 -0.374 1.00 0.00 C ATOM 858 CE1 HIS A 62 -1.322 -5.147 0.331 1.00 0.00 C ATOM 859 NE2 HIS A 62 -1.846 -4.212 -0.512 1.00 0.00 N ATOM 0 H HIS A 62 -0.702 -0.656 2.307 1.00 0.00 H new ATOM 0 HA HIS A 62 0.772 -3.097 3.070 1.00 0.00 H new ATOM 0 HB2 HIS A 62 0.781 -1.383 0.589 1.00 0.00 H new ATOM 0 HB3 HIS A 62 1.851 -2.744 0.862 1.00 0.00 H new ATOM 0 HD1 HIS A 62 0.270 -5.049 1.685 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -1.348 -2.163 -0.910 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -1.668 -6.164 0.445 1.00 0.00 H new ATOM 867 N ALA A 63 1.952 -1.125 4.469 1.00 0.00 N ATOM 868 CA ALA A 63 3.031 -0.412 5.132 1.00 0.00 C ATOM 869 C ALA A 63 4.363 -0.794 4.484 1.00 0.00 C ATOM 870 O ALA A 63 4.987 -1.799 4.818 1.00 0.00 O ATOM 871 CB ALA A 63 3.002 -0.720 6.630 1.00 0.00 C ATOM 0 H ALA A 63 1.198 -1.426 5.086 1.00 0.00 H new ATOM 0 HA ALA A 63 2.906 0.665 5.018 1.00 0.00 H new ATOM 0 HB1 ALA A 63 3.811 -0.185 7.127 1.00 0.00 H new ATOM 0 HB2 ALA A 63 2.047 -0.403 7.048 1.00 0.00 H new ATOM 0 HB3 ALA A 63 3.127 -1.792 6.784 1.00 0.00 H new ATOM 877 N PRO A 64 4.790 0.043 3.536 1.00 0.00 N ATOM 878 CA PRO A 64 6.022 -0.123 2.795 1.00 0.00 C ATOM 879 C PRO A 64 7.207 -0.025 3.746 1.00 0.00 C ATOM 880 O PRO A 64 8.016 -0.950 3.784 1.00 0.00 O ATOM 881 CB PRO A 64 6.031 1.024 1.788 1.00 0.00 C ATOM 882 CG PRO A 64 4.545 1.485 1.685 1.00 0.00 C ATOM 883 CD PRO A 64 4.082 1.234 3.118 1.00 0.00 C ATOM 0 HA PRO A 64 6.092 -1.091 2.299 1.00 0.00 H new ATOM 0 HB2 PRO A 64 6.674 1.838 2.123 1.00 0.00 H new ATOM 0 HB3 PRO A 64 6.410 0.696 0.820 1.00 0.00 H new ATOM 0 HG2 PRO A 64 4.454 2.532 1.396 1.00 0.00 H new ATOM 0 HG3 PRO A 64 3.979 0.903 0.957 1.00 0.00 H new ATOM 0 HD2 PRO A 64 4.318 2.080 3.763 1.00 0.00 H new ATOM 0 HD3 PRO A 64 3.003 1.089 3.165 1.00 0.00 H new ATOM 891 N HIS A 65 7.288 1.074 4.481 1.00 0.00 N ATOM 892 CA HIS A 65 8.381 1.268 5.419 1.00 0.00 C ATOM 893 C HIS A 65 8.047 0.582 6.745 1.00 0.00 C ATOM 894 O HIS A 65 7.954 1.239 7.781 1.00 0.00 O ATOM 895 CB HIS A 65 8.698 2.756 5.584 1.00 0.00 C ATOM 896 CG HIS A 65 9.349 3.384 4.375 1.00 0.00 C ATOM 897 ND1 HIS A 65 10.506 2.883 3.803 1.00 0.00 N ATOM 898 CD2 HIS A 65 8.994 4.473 3.636 1.00 0.00 C ATOM 899 CE1 HIS A 65 10.824 3.646 2.767 1.00 0.00 C ATOM 900 NE2 HIS A 65 9.886 4.631 2.666 1.00 0.00 N ATOM 0 H HIS A 65 6.615 1.839 4.446 1.00 0.00 H new ATOM 0 HA HIS A 65 9.287 0.805 5.028 1.00 0.00 H new ATOM 0 HB2 HIS A 65 7.775 3.291 5.805 1.00 0.00 H new ATOM 0 HB3 HIS A 65 9.355 2.884 6.445 1.00 0.00 H new ATOM 0 HD1 HIS A 65 11.025 2.066 4.124 1.00 0.00 H new ATOM 0 HD2 HIS A 65 8.133 5.101 3.810 1.00 0.00 H new ATOM 0 HE1 HIS A 65 11.676 3.511 2.117 1.00 0.00 H new ATOM 908 N GLU A 66 7.876 -0.729 6.669 1.00 0.00 N ATOM 909 CA GLU A 66 7.555 -1.511 7.851 1.00 0.00 C ATOM 910 C GLU A 66 7.223 -2.953 7.459 1.00 0.00 C ATOM 911 O GLU A 66 7.894 -3.888 7.894 1.00 0.00 O ATOM 912 CB GLU A 66 6.403 -0.877 8.632 1.00 0.00 C ATOM 913 CG GLU A 66 6.789 -0.654 10.095 1.00 0.00 C ATOM 914 CD GLU A 66 5.901 0.412 10.741 1.00 0.00 C ATOM 915 OE1 GLU A 66 4.723 0.148 11.026 1.00 0.00 O ATOM 916 OE2 GLU A 66 6.475 1.549 10.947 1.00 0.00 O ATOM 0 H GLU A 66 7.954 -1.270 5.808 1.00 0.00 H new ATOM 0 HA GLU A 66 8.429 -1.523 8.503 1.00 0.00 H new ATOM 0 HB2 GLU A 66 6.130 0.074 8.175 1.00 0.00 H new ATOM 0 HB3 GLU A 66 5.525 -1.521 8.578 1.00 0.00 H new ATOM 0 HG2 GLU A 66 6.698 -1.590 10.645 1.00 0.00 H new ATOM 0 HG3 GLU A 66 7.833 -0.348 10.157 1.00 0.00 H new ATOM 924 N ALA A 67 6.189 -3.087 6.642 1.00 0.00 N ATOM 925 CA ALA A 67 5.760 -4.399 6.187 1.00 0.00 C ATOM 926 C ALA A 67 6.870 -5.029 5.343 1.00 0.00 C ATOM 927 O ALA A 67 7.759 -4.330 4.858 1.00 0.00 O ATOM 928 CB ALA A 67 4.445 -4.268 5.417 1.00 0.00 C ATOM 0 H ALA A 67 5.636 -2.309 6.283 1.00 0.00 H new ATOM 0 HA ALA A 67 5.576 -5.058 7.035 1.00 0.00 H new ATOM 0 HB1 ALA A 67 4.124 -5.252 5.076 1.00 0.00 H new ATOM 0 HB2 ALA A 67 3.682 -3.843 6.069 1.00 0.00 H new ATOM 0 HB3 ALA A 67 4.591 -3.615 4.556 1.00 0.00 H new ATOM 934 N LYS A 68 6.782 -6.342 5.192 1.00 0.00 N ATOM 935 CA LYS A 68 7.768 -7.074 4.415 1.00 0.00 C ATOM 936 C LYS A 68 7.055 -7.889 3.333 1.00 0.00 C ATOM 937 O LYS A 68 6.060 -8.557 3.609 1.00 0.00 O ATOM 938 CB LYS A 68 8.657 -7.915 5.333 1.00 0.00 C ATOM 939 CG LYS A 68 9.174 -7.083 6.508 1.00 0.00 C ATOM 940 CD LYS A 68 10.499 -6.403 6.158 1.00 0.00 C ATOM 941 CE LYS A 68 11.475 -6.466 7.334 1.00 0.00 C ATOM 942 NZ LYS A 68 12.011 -5.119 7.635 1.00 0.00 N ATOM 0 H LYS A 68 6.043 -6.918 5.595 1.00 0.00 H new ATOM 0 HA LYS A 68 8.440 -6.384 3.904 1.00 0.00 H new ATOM 0 HB2 LYS A 68 8.094 -8.769 5.708 1.00 0.00 H new ATOM 0 HB3 LYS A 68 9.499 -8.312 4.766 1.00 0.00 H new ATOM 0 HG2 LYS A 68 8.434 -6.329 6.777 1.00 0.00 H new ATOM 0 HG3 LYS A 68 9.309 -7.723 7.380 1.00 0.00 H new ATOM 0 HD2 LYS A 68 10.941 -6.887 5.287 1.00 0.00 H new ATOM 0 HD3 LYS A 68 10.318 -5.363 5.887 1.00 0.00 H new ATOM 0 HE2 LYS A 68 10.970 -6.868 8.212 1.00 0.00 H new ATOM 0 HE3 LYS A 68 12.294 -7.146 7.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 12.462 -5.126 8.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 12.714 -4.856 6.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 11.234 -4.427 7.630 1.00 0.00 H new ATOM 955 N VAL A 69 7.593 -7.806 2.125 1.00 0.00 N ATOM 956 CA VAL A 69 7.021 -8.527 1.001 1.00 0.00 C ATOM 957 C VAL A 69 6.481 -9.874 1.486 1.00 0.00 C ATOM 958 O VAL A 69 7.190 -10.628 2.151 1.00 0.00 O ATOM 959 CB VAL A 69 8.059 -8.666 -0.115 1.00 0.00 C ATOM 960 CG1 VAL A 69 7.812 -9.932 -0.938 1.00 0.00 C ATOM 961 CG2 VAL A 69 8.073 -7.424 -1.008 1.00 0.00 C ATOM 0 H VAL A 69 8.419 -7.251 1.900 1.00 0.00 H new ATOM 0 HA VAL A 69 6.182 -7.973 0.579 1.00 0.00 H new ATOM 0 HB VAL A 69 9.041 -8.755 0.349 1.00 0.00 H new ATOM 0 HG11 VAL A 69 8.563 -10.007 -1.724 1.00 0.00 H new ATOM 0 HG12 VAL A 69 7.877 -10.806 -0.290 1.00 0.00 H new ATOM 0 HG13 VAL A 69 6.820 -9.886 -1.387 1.00 0.00 H new ATOM 0 HG21 VAL A 69 8.819 -7.549 -1.793 1.00 0.00 H new ATOM 0 HG22 VAL A 69 7.090 -7.290 -1.460 1.00 0.00 H new ATOM 0 HG23 VAL A 69 8.320 -6.548 -0.409 1.00 0.00 H new ATOM 971 N GLY A 70 5.230 -10.136 1.134 1.00 0.00 N ATOM 972 CA GLY A 70 4.587 -11.378 1.526 1.00 0.00 C ATOM 973 C GLY A 70 4.017 -11.278 2.941 1.00 0.00 C ATOM 974 O GLY A 70 4.027 -12.255 3.689 1.00 0.00 O ATOM 0 H GLY A 70 4.645 -9.509 0.582 1.00 0.00 H new ATOM 0 HA2 GLY A 70 3.787 -11.615 0.824 1.00 0.00 H new ATOM 0 HA3 GLY A 70 5.307 -12.195 1.477 1.00 0.00 H new ATOM 978 N GLU A 71 3.533 -10.089 3.267 1.00 0.00 N ATOM 979 CA GLU A 71 2.959 -9.848 4.581 1.00 0.00 C ATOM 980 C GLU A 71 1.508 -9.380 4.448 1.00 0.00 C ATOM 981 O GLU A 71 1.245 -8.183 4.345 1.00 0.00 O ATOM 982 CB GLU A 71 3.793 -8.834 5.366 1.00 0.00 C ATOM 983 CG GLU A 71 3.269 -8.683 6.795 1.00 0.00 C ATOM 984 CD GLU A 71 4.262 -9.259 7.807 1.00 0.00 C ATOM 985 OE1 GLU A 71 5.113 -8.523 8.328 1.00 0.00 O ATOM 986 OE2 GLU A 71 4.126 -10.519 8.048 1.00 0.00 O ATOM 0 H GLU A 71 3.526 -9.281 2.644 1.00 0.00 H new ATOM 0 HA GLU A 71 2.969 -10.785 5.138 1.00 0.00 H new ATOM 0 HB2 GLU A 71 4.835 -9.154 5.389 1.00 0.00 H new ATOM 0 HB3 GLU A 71 3.767 -7.868 4.861 1.00 0.00 H new ATOM 0 HG2 GLU A 71 3.093 -7.629 7.012 1.00 0.00 H new ATOM 0 HG3 GLU A 71 2.310 -9.193 6.890 1.00 0.00 H new ATOM 994 N LYS A 72 0.604 -10.349 4.456 1.00 0.00 N ATOM 995 CA LYS A 72 -0.813 -10.052 4.338 1.00 0.00 C ATOM 996 C LYS A 72 -1.259 -9.228 5.548 1.00 0.00 C ATOM 997 O LYS A 72 -1.278 -9.696 6.684 1.00 0.00 O ATOM 998 CB LYS A 72 -1.616 -11.339 4.140 1.00 0.00 C ATOM 999 CG LYS A 72 -1.558 -12.219 5.390 1.00 0.00 C ATOM 1000 CD LYS A 72 -1.100 -13.637 5.042 1.00 0.00 C ATOM 1001 CE LYS A 72 0.427 -13.735 5.040 1.00 0.00 C ATOM 1002 NZ LYS A 72 0.859 -15.105 5.397 1.00 0.00 N ATOM 0 H LYS A 72 0.826 -11.341 4.542 1.00 0.00 H new ATOM 0 HA LYS A 72 -1.003 -9.446 3.452 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -2.653 -11.093 3.912 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -1.223 -11.889 3.285 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -0.874 -11.780 6.117 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -2.541 -12.255 5.859 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -1.512 -14.343 5.763 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -1.487 -13.918 4.063 1.00 0.00 H new ATOM 0 HE2 LYS A 72 0.813 -13.471 4.056 1.00 0.00 H new ATOM 0 HE3 LYS A 72 0.844 -13.020 5.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 1.898 -15.154 5.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 0.507 -15.344 6.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 0.476 -15.781 4.705 1.00 0.00 H new ATOM 1015 N PRO A 73 -1.622 -7.973 5.273 1.00 0.00 N ATOM 1016 CA PRO A 73 -2.078 -7.021 6.263 1.00 0.00 C ATOM 1017 C PRO A 73 -3.169 -7.653 7.115 1.00 0.00 C ATOM 1018 O PRO A 73 -3.791 -8.615 6.666 1.00 0.00 O ATOM 1019 CB PRO A 73 -2.626 -5.847 5.453 1.00 0.00 C ATOM 1020 CG PRO A 73 -1.803 -5.893 4.175 1.00 0.00 C ATOM 1021 CD PRO A 73 -1.611 -7.391 3.949 1.00 0.00 C ATOM 0 HA PRO A 73 -1.287 -6.704 6.943 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -3.691 -5.960 5.250 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -2.500 -4.901 5.979 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -2.324 -5.422 3.341 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -0.850 -5.376 4.289 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -2.409 -7.802 3.330 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -0.672 -7.596 3.436 1.00 0.00 H new ATOM 1029 N THR A 74 -3.379 -7.115 8.307 1.00 0.00 N ATOM 1030 CA THR A 74 -4.397 -7.644 9.199 1.00 0.00 C ATOM 1031 C THR A 74 -5.560 -6.659 9.325 1.00 0.00 C ATOM 1032 O THR A 74 -5.354 -5.487 9.640 1.00 0.00 O ATOM 1033 CB THR A 74 -3.729 -7.972 10.536 1.00 0.00 C ATOM 1034 OG1 THR A 74 -3.071 -6.762 10.901 1.00 0.00 O ATOM 1035 CG2 THR A 74 -2.593 -8.986 10.390 1.00 0.00 C ATOM 0 H THR A 74 -2.861 -6.318 8.676 1.00 0.00 H new ATOM 0 HA THR A 74 -4.832 -8.562 8.803 1.00 0.00 H new ATOM 0 HB THR A 74 -4.475 -8.361 11.229 1.00 0.00 H new ATOM 0 HG1 THR A 74 -3.430 -6.439 11.754 1.00 0.00 H new ATOM 0 HG21 THR A 74 -2.153 -9.183 11.368 1.00 0.00 H new ATOM 0 HG22 THR A 74 -2.985 -9.914 9.974 1.00 0.00 H new ATOM 0 HG23 THR A 74 -1.830 -8.584 9.724 1.00 0.00 H new ATOM 1043 N CYS A 75 -6.757 -7.169 9.074 1.00 0.00 N ATOM 1044 CA CYS A 75 -7.953 -6.348 9.156 1.00 0.00 C ATOM 1045 C CYS A 75 -8.121 -5.888 10.606 1.00 0.00 C ATOM 1046 O CYS A 75 -8.695 -4.831 10.863 1.00 0.00 O ATOM 1047 CB CYS A 75 -9.187 -7.096 8.648 1.00 0.00 C ATOM 1048 SG CYS A 75 -8.887 -8.181 7.206 1.00 0.00 S ATOM 0 H CYS A 75 -6.924 -8.141 8.814 1.00 0.00 H new ATOM 0 HA CYS A 75 -7.845 -5.477 8.510 1.00 0.00 H new ATOM 0 HB2 CYS A 75 -9.589 -7.700 9.462 1.00 0.00 H new ATOM 0 HB3 CYS A 75 -9.953 -6.367 8.383 1.00 0.00 H new ATOM 1053 N ASP A 76 -7.610 -6.705 11.516 1.00 0.00 N ATOM 1054 CA ASP A 76 -7.697 -6.395 12.932 1.00 0.00 C ATOM 1055 C ASP A 76 -7.028 -5.045 13.196 1.00 0.00 C ATOM 1056 O ASP A 76 -7.214 -4.453 14.259 1.00 0.00 O ATOM 1057 CB ASP A 76 -6.977 -7.452 13.773 1.00 0.00 C ATOM 1058 CG ASP A 76 -7.895 -8.380 14.570 1.00 0.00 C ATOM 1059 OD1 ASP A 76 -8.967 -7.971 15.038 1.00 0.00 O ATOM 1060 OD2 ASP A 76 -7.463 -9.589 14.705 1.00 0.00 O ATOM 0 H ASP A 76 -7.134 -7.581 11.299 1.00 0.00 H new ATOM 0 HA ASP A 76 -8.751 -6.372 13.208 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -6.357 -8.059 13.113 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -6.305 -6.947 14.467 1.00 0.00 H new ATOM 1066 N THR A 77 -6.265 -4.596 12.211 1.00 0.00 N ATOM 1067 CA THR A 77 -5.568 -3.326 12.324 1.00 0.00 C ATOM 1068 C THR A 77 -6.501 -2.171 11.958 1.00 0.00 C ATOM 1069 O THR A 77 -6.062 -1.029 11.830 1.00 0.00 O ATOM 1070 CB THR A 77 -4.315 -3.395 11.448 1.00 0.00 C ATOM 1071 OG1 THR A 77 -3.631 -4.557 11.912 1.00 0.00 O ATOM 1072 CG2 THR A 77 -3.339 -2.251 11.730 1.00 0.00 C ATOM 0 H THR A 77 -6.114 -5.089 11.331 1.00 0.00 H new ATOM 0 HA THR A 77 -5.255 -3.137 13.351 1.00 0.00 H new ATOM 0 HB THR A 77 -4.605 -3.374 10.398 1.00 0.00 H new ATOM 0 HG1 THR A 77 -3.172 -4.988 11.161 1.00 0.00 H new ATOM 0 HG21 THR A 77 -2.468 -2.348 11.082 1.00 0.00 H new ATOM 0 HG22 THR A 77 -3.831 -1.297 11.537 1.00 0.00 H new ATOM 0 HG23 THR A 77 -3.022 -2.292 12.772 1.00 0.00 H new ATOM 1080 N CYS A 78 -7.773 -2.507 11.799 1.00 0.00 N ATOM 1081 CA CYS A 78 -8.773 -1.512 11.450 1.00 0.00 C ATOM 1082 C CYS A 78 -10.151 -2.070 11.808 1.00 0.00 C ATOM 1083 O CYS A 78 -10.886 -1.466 12.587 1.00 0.00 O ATOM 1084 CB CYS A 78 -8.683 -1.114 9.975 1.00 0.00 C ATOM 1085 SG CYS A 78 -7.455 0.226 9.762 1.00 0.00 S ATOM 0 H CYS A 78 -8.134 -3.455 11.906 1.00 0.00 H new ATOM 0 HA CYS A 78 -8.595 -0.598 12.017 1.00 0.00 H new ATOM 0 HB2 CYS A 78 -8.399 -1.978 9.374 1.00 0.00 H new ATOM 0 HB3 CYS A 78 -9.659 -0.784 9.619 1.00 0.00 H new ATOM 1090 N HIS A 79 -10.461 -3.217 11.221 1.00 0.00 N ATOM 1091 CA HIS A 79 -11.738 -3.864 11.469 1.00 0.00 C ATOM 1092 C HIS A 79 -11.621 -4.785 12.685 1.00 0.00 C ATOM 1093 O HIS A 79 -10.764 -5.667 12.719 1.00 0.00 O ATOM 1094 CB HIS A 79 -12.229 -4.594 10.217 1.00 0.00 C ATOM 1095 CG HIS A 79 -12.370 -3.706 9.004 1.00 0.00 C ATOM 1096 ND1 HIS A 79 -13.225 -2.619 8.965 1.00 0.00 N ATOM 1097 CD2 HIS A 79 -11.754 -3.755 7.787 1.00 0.00 C ATOM 1098 CE1 HIS A 79 -13.122 -2.048 7.774 1.00 0.00 C ATOM 1099 NE2 HIS A 79 -12.210 -2.753 7.045 1.00 0.00 N ATOM 0 H HIS A 79 -9.849 -3.715 10.574 1.00 0.00 H new ATOM 0 HA HIS A 79 -12.492 -3.111 11.700 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -11.535 -5.402 9.984 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -13.194 -5.054 10.432 1.00 0.00 H new ATOM 0 HD1 HIS A 79 -13.832 -2.310 9.724 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -11.020 -4.485 7.480 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -13.665 -1.177 7.439 1.00 0.00 H new ATOM 1107 N ASP A 80 -12.493 -4.548 13.653 1.00 0.00 N ATOM 1108 CA ASP A 80 -12.498 -5.345 14.868 1.00 0.00 C ATOM 1109 C ASP A 80 -13.842 -6.067 14.994 1.00 0.00 C ATOM 1110 O ASP A 80 -14.351 -6.249 16.099 1.00 0.00 O ATOM 1111 CB ASP A 80 -12.316 -4.465 16.105 1.00 0.00 C ATOM 1112 CG ASP A 80 -10.863 -4.155 16.471 1.00 0.00 C ATOM 1113 OD1 ASP A 80 -10.311 -3.118 16.073 1.00 0.00 O ATOM 1114 OD2 ASP A 80 -10.285 -5.043 17.206 1.00 0.00 O ATOM 0 H ASP A 80 -13.202 -3.815 13.621 1.00 0.00 H new ATOM 0 HA ASP A 80 -11.674 -6.056 14.808 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -12.843 -3.524 15.944 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -12.792 -4.955 16.954 1.00 0.00 H new ATOM 1120 N ASP A 81 -14.377 -6.457 13.847 1.00 0.00 N ATOM 1121 CA ASP A 81 -15.652 -7.154 13.815 1.00 0.00 C ATOM 1122 C ASP A 81 -15.436 -8.579 13.302 1.00 0.00 C ATOM 1123 O ASP A 81 -16.365 -9.207 12.795 1.00 0.00 O ATOM 1124 CB ASP A 81 -16.638 -6.457 12.876 1.00 0.00 C ATOM 1125 CG ASP A 81 -16.108 -6.190 11.466 1.00 0.00 C ATOM 1126 OD1 ASP A 81 -15.207 -6.888 10.979 1.00 0.00 O ATOM 1127 OD2 ASP A 81 -16.669 -5.204 10.851 1.00 0.00 O ATOM 0 H ASP A 81 -13.951 -6.304 12.933 1.00 0.00 H new ATOM 0 HA ASP A 81 -16.060 -7.158 14.826 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -17.538 -7.067 12.800 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -16.933 -5.508 13.323 1.00 0.00 H new ATOM 1133 N GLY A 82 -14.206 -9.048 13.450 1.00 0.00 N ATOM 1134 CA GLY A 82 -13.857 -10.387 13.008 1.00 0.00 C ATOM 1135 C GLY A 82 -13.396 -10.380 11.548 1.00 0.00 C ATOM 1136 O GLY A 82 -12.860 -11.372 11.058 1.00 0.00 O ATOM 0 H GLY A 82 -13.438 -8.524 13.870 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -13.066 -10.788 13.641 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -14.718 -11.046 13.118 1.00 0.00 H new ATOM 1140 N ARG A 83 -13.623 -9.249 10.896 1.00 0.00 N ATOM 1141 CA ARG A 83 -13.239 -9.099 9.502 1.00 0.00 C ATOM 1142 C ARG A 83 -11.944 -9.866 9.224 1.00 0.00 C ATOM 1143 O ARG A 83 -10.957 -9.705 9.939 1.00 0.00 O ATOM 1144 CB ARG A 83 -13.039 -7.626 9.142 1.00 0.00 C ATOM 1145 CG ARG A 83 -13.952 -7.216 7.984 1.00 0.00 C ATOM 1146 CD ARG A 83 -15.397 -7.642 8.250 1.00 0.00 C ATOM 1147 NE ARG A 83 -16.284 -6.456 8.241 1.00 0.00 N ATOM 1148 CZ ARG A 83 -16.862 -5.952 7.130 1.00 0.00 C ATOM 1149 NH1 ARG A 83 -16.653 -6.528 5.927 1.00 0.00 N ATOM 1150 NH2 ARG A 83 -17.636 -4.889 7.238 1.00 0.00 N ATOM 0 H ARG A 83 -14.068 -8.428 11.307 1.00 0.00 H new ATOM 0 HA ARG A 83 -14.044 -9.504 8.890 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -13.248 -7.004 10.012 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -11.998 -7.453 8.868 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -13.907 -6.136 7.845 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -13.599 -7.671 7.059 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -15.721 -8.354 7.491 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -15.464 -8.149 9.212 1.00 0.00 H new ATOM 0 HE ARG A 83 -16.470 -5.991 9.130 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -16.054 -7.351 5.852 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -17.094 -6.141 5.093 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -17.790 -4.461 8.151 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -18.080 -4.495 6.409 1.00 0.00 H new ATOM 1160 N THR A 84 -11.991 -10.684 8.182 1.00 0.00 N ATOM 1161 CA THR A 84 -10.834 -11.476 7.800 1.00 0.00 C ATOM 1162 C THR A 84 -10.594 -11.377 6.293 1.00 0.00 C ATOM 1163 O THR A 84 -11.512 -11.069 5.533 1.00 0.00 O ATOM 1164 CB THR A 84 -11.061 -12.909 8.287 1.00 0.00 C ATOM 1165 OG1 THR A 84 -12.416 -13.182 7.941 1.00 0.00 O ATOM 1166 CG2 THR A 84 -11.035 -13.021 9.812 1.00 0.00 C ATOM 0 H THR A 84 -12.812 -10.815 7.591 1.00 0.00 H new ATOM 0 HA THR A 84 -9.924 -11.099 8.267 1.00 0.00 H new ATOM 0 HB THR A 84 -10.298 -13.561 7.863 1.00 0.00 H new ATOM 0 HG1 THR A 84 -12.648 -14.093 8.219 1.00 0.00 H new ATOM 0 HG21 THR A 84 -11.201 -14.058 10.104 1.00 0.00 H new ATOM 0 HG22 THR A 84 -10.066 -12.690 10.185 1.00 0.00 H new ATOM 0 HG23 THR A 84 -11.820 -12.395 10.236 1.00 0.00 H new ATOM 1174 N ALA A 85 -9.356 -11.643 5.904 1.00 0.00 N ATOM 1175 CA ALA A 85 -8.984 -11.588 4.501 1.00 0.00 C ATOM 1176 C ALA A 85 -9.705 -12.703 3.742 1.00 0.00 C ATOM 1177 O ALA A 85 -10.067 -13.724 4.326 1.00 0.00 O ATOM 1178 CB ALA A 85 -7.462 -11.685 4.372 1.00 0.00 C ATOM 0 H ALA A 85 -8.597 -11.897 6.537 1.00 0.00 H new ATOM 0 HA ALA A 85 -9.289 -10.639 4.060 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -7.183 -11.644 3.319 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -6.998 -10.854 4.903 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -7.120 -12.627 4.802 1.00 0.00 H new ATOM 1184 N LYS A 86 -9.894 -12.471 2.451 1.00 0.00 N ATOM 1185 CA LYS A 86 -10.566 -13.444 1.606 1.00 0.00 C ATOM 1186 C LYS A 86 -10.192 -13.188 0.145 1.00 0.00 C ATOM 1187 O LYS A 86 -9.411 -13.937 -0.440 1.00 0.00 O ATOM 1188 CB LYS A 86 -12.073 -13.429 1.867 1.00 0.00 C ATOM 1189 CG LYS A 86 -12.706 -14.774 1.503 1.00 0.00 C ATOM 1190 CD LYS A 86 -13.833 -14.592 0.484 1.00 0.00 C ATOM 1191 CE LYS A 86 -15.014 -15.511 0.803 1.00 0.00 C ATOM 1192 NZ LYS A 86 -16.198 -14.716 1.197 1.00 0.00 N ATOM 0 H LYS A 86 -9.594 -11.623 1.970 1.00 0.00 H new ATOM 0 HA LYS A 86 -10.234 -14.454 1.848 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -12.262 -13.207 2.917 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -12.539 -12.634 1.284 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -11.945 -15.439 1.094 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -13.097 -15.251 2.402 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -14.165 -13.554 0.485 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -13.461 -14.807 -0.518 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -15.252 -16.122 -0.068 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -14.743 -16.195 1.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -16.990 -15.355 1.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -15.972 -14.152 2.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -16.465 -14.082 0.417 1.00 0.00 H new TER 1205 LYS A 86 HETATM 1206 FE HEM A 218 9.853 5.941 1.314 1.00 0.00 FE HETATM 1207 CHA HEM A 218 7.927 7.942 3.495 1.00 0.00 C HETATM 1208 CHB HEM A 218 12.699 7.306 2.761 1.00 0.00 C HETATM 1209 CHC HEM A 218 11.753 4.136 -0.814 1.00 0.00 C HETATM 1210 CHD HEM A 218 6.947 4.834 -0.125 1.00 0.00 C HETATM 1211 NA HEM A 218 10.223 7.376 2.794 1.00 0.00 N HETATM 1212 C1A HEM A 218 9.310 8.010 3.619 1.00 0.00 C HETATM 1213 C2A HEM A 218 9.998 8.765 4.640 1.00 0.00 C HETATM 1214 C3A HEM A 218 11.321 8.590 4.439 1.00 0.00 C HETATM 1215 C4A HEM A 218 11.466 7.726 3.292 1.00 0.00 C HETATM 1216 CMA HEM A 218 12.459 9.165 5.232 1.00 0.00 C HETATM 1217 CAA HEM A 218 9.324 9.578 5.707 1.00 0.00 C HETATM 1218 CBA HEM A 218 10.231 9.935 6.881 1.00 0.00 C HETATM 1219 CGA HEM A 218 9.422 10.171 8.148 1.00 0.00 C HETATM 1220 O1A HEM A 218 8.766 9.203 8.590 1.00 0.00 O HETATM 1221 O2A HEM A 218 9.473 11.314 8.650 1.00 0.00 O HETATM 1222 NB HEM A 218 11.813 5.819 1.003 1.00 0.00 N HETATM 1223 C1B HEM A 218 12.843 6.349 1.761 1.00 0.00 C HETATM 1224 C2B HEM A 218 14.105 5.766 1.370 1.00 0.00 C HETATM 1225 C3B HEM A 218 13.846 4.887 0.380 1.00 0.00 C HETATM 1226 C4B HEM A 218 12.421 4.917 0.147 1.00 0.00 C HETATM 1227 CMB HEM A 218 15.433 6.106 1.981 1.00 0.00 C HETATM 1228 CAB HEM A 218 14.820 4.023 -0.367 1.00 0.00 C HETATM 1229 CBB HEM A 218 15.556 3.016 0.512 1.00 0.00 C HETATM 1230 NC HEM A 218 9.417 4.657 -0.099 1.00 0.00 N HETATM 1231 C1C HEM A 218 10.327 4.056 -0.951 1.00 0.00 C HETATM 1232 C2C HEM A 218 9.640 3.425 -2.053 1.00 0.00 C HETATM 1233 C3C HEM A 218 8.320 3.641 -1.873 1.00 0.00 C HETATM 1234 C4C HEM A 218 8.176 4.407 -0.658 1.00 0.00 C HETATM 1235 CMC HEM A 218 10.311 2.680 -3.170 1.00 0.00 C HETATM 1236 CAC HEM A 218 7.183 3.190 -2.744 1.00 0.00 C HETATM 1237 CBC HEM A 218 7.233 1.710 -3.112 1.00 0.00 C HETATM 1238 ND HEM A 218 7.850 6.297 1.644 1.00 0.00 N HETATM 1239 C1D HEM A 218 6.812 5.767 0.898 1.00 0.00 C HETATM 1240 C2D HEM A 218 5.551 6.322 1.329 1.00 0.00 C HETATM 1241 C3D HEM A 218 5.819 7.184 2.333 1.00 0.00 C HETATM 1242 C4D HEM A 218 7.249 7.172 2.532 1.00 0.00 C HETATM 1243 CMD HEM A 218 4.214 5.975 0.742 1.00 0.00 C HETATM 1244 CAD HEM A 218 4.849 8.018 3.119 1.00 0.00 C HETATM 1245 CBD HEM A 218 3.600 8.418 2.339 1.00 0.00 C HETATM 1246 CGD HEM A 218 2.386 7.626 2.804 1.00 0.00 C HETATM 1247 O1D HEM A 218 2.219 7.516 4.038 1.00 0.00 O HETATM 1248 O2D HEM A 218 1.649 7.145 1.917 1.00 0.00 O HETATM 0 HMA1 HEM A 218 12.162 10.127 5.650 1.00 0.00 H new HETATM 0 HMA2 HEM A 218 13.323 9.303 4.581 1.00 0.00 H new HETATM 0 HMA3 HEM A 218 12.720 8.483 6.041 1.00 0.00 H new HETATM 0 HMB1 HEM A 218 15.420 7.139 2.328 1.00 0.00 H new HETATM 0 HMB2 HEM A 218 16.219 5.983 1.236 1.00 0.00 H new HETATM 0 HMB3 HEM A 218 15.626 5.443 2.824 1.00 0.00 H new HETATM 0 HMC1 HEM A 218 11.301 3.101 -3.345 1.00 0.00 H new HETATM 0 HMC2 HEM A 218 9.713 2.769 -4.077 1.00 0.00 H new HETATM 0 HMC3 HEM A 218 10.406 1.628 -2.900 1.00 0.00 H new HETATM 0 HMD1 HEM A 218 3.444 6.071 1.508 1.00 0.00 H new HETATM 0 HMD2 HEM A 218 4.233 4.949 0.374 1.00 0.00 H new HETATM 0 HMD3 HEM A 218 3.992 6.652 -0.083 1.00 0.00 H new HETATM 0 HBB1 HEM A 218 16.287 2.339 0.070 1.00 0.00 H new HETATM 0 HBB2 HEM A 218 15.351 2.974 1.582 1.00 0.00 H new HETATM 0 HBC1 HEM A 218 6.455 1.278 -3.741 1.00 0.00 H new HETATM 0 HBC2 HEM A 218 8.047 1.084 -2.745 1.00 0.00 H new HETATM 0 HBA1 HEM A 218 10.806 10.830 6.641 1.00 0.00 H new HETATM 0 HBA2 HEM A 218 10.948 9.131 7.048 1.00 0.00 H new HETATM 0 HAA1 HEM A 218 8.463 9.025 6.082 1.00 0.00 H new HETATM 0 HAA2 HEM A 218 8.943 10.498 5.263 1.00 0.00 H new HETATM 0 HBD1 HEM A 218 3.763 8.249 1.275 1.00 0.00 H new HETATM 0 HBD2 HEM A 218 3.413 9.484 2.467 1.00 0.00 H new HETATM 0 HAD1 HEM A 218 5.356 8.920 3.461 1.00 0.00 H new HETATM 0 HAD2 HEM A 218 4.548 7.465 4.009 1.00 0.00 H new HETATM 0 HHA HEM A 218 7.332 8.520 4.186 1.00 0.00 H new HETATM 0 HHB HEM A 218 13.597 7.758 3.157 1.00 0.00 H new HETATM 0 HHC HEM A 218 12.356 3.556 -1.497 1.00 0.00 H new HETATM 0 HHD HEM A 218 6.045 4.408 -0.539 1.00 0.00 H new HETATM 0 HAB HEM A 218 14.987 4.107 -1.441 1.00 0.00 H new HETATM 0 HAC HEM A 218 6.393 3.860 -3.083 1.00 0.00 H new HETATM 1249 FE HEM A 238 4.244 -2.215 -6.727 1.00 0.00 FE HETATM 1250 CHA HEM A 238 4.461 -5.761 -6.455 1.00 0.00 C HETATM 1251 CHB HEM A 238 2.579 -2.288 -3.605 1.00 0.00 C HETATM 1252 CHC HEM A 238 4.024 1.137 -6.752 1.00 0.00 C HETATM 1253 CHD HEM A 238 5.967 -2.363 -9.602 1.00 0.00 C HETATM 1254 NA HEM A 238 3.649 -3.731 -5.310 1.00 0.00 N HETATM 1255 C1A HEM A 238 3.824 -5.101 -5.409 1.00 0.00 C HETATM 1256 C2A HEM A 238 3.247 -5.764 -4.263 1.00 0.00 C HETATM 1257 C3A HEM A 238 2.724 -4.804 -3.471 1.00 0.00 C HETATM 1258 C4A HEM A 238 2.972 -3.537 -4.118 1.00 0.00 C HETATM 1259 CMA HEM A 238 2.013 -4.973 -2.160 1.00 0.00 C HETATM 1260 CAA HEM A 238 3.251 -7.247 -4.036 1.00 0.00 C HETATM 1261 CBA HEM A 238 2.950 -7.657 -2.598 1.00 0.00 C HETATM 1262 CGA HEM A 238 3.069 -9.164 -2.420 1.00 0.00 C HETATM 1263 O1A HEM A 238 4.221 -9.648 -2.433 1.00 0.00 O HETATM 1264 O2A HEM A 238 2.005 -9.804 -2.275 1.00 0.00 O HETATM 1265 NB HEM A 238 3.378 -0.879 -5.465 1.00 0.00 N HETATM 1266 C1B HEM A 238 2.896 -1.063 -4.181 1.00 0.00 C HETATM 1267 C2B HEM A 238 2.765 0.209 -3.509 1.00 0.00 C HETATM 1268 C3B HEM A 238 3.165 1.160 -4.379 1.00 0.00 C HETATM 1269 C4B HEM A 238 3.548 0.488 -5.598 1.00 0.00 C HETATM 1270 CMB HEM A 238 2.272 0.390 -2.103 1.00 0.00 C HETATM 1271 CAB HEM A 238 3.219 2.645 -4.164 1.00 0.00 C HETATM 1272 CBB HEM A 238 3.719 3.054 -2.781 1.00 0.00 C HETATM 1273 NC HEM A 238 4.850 -0.904 -7.940 1.00 0.00 N HETATM 1274 C1C HEM A 238 4.525 0.441 -7.935 1.00 0.00 C HETATM 1275 C2C HEM A 238 4.945 1.062 -9.169 1.00 0.00 C HETATM 1276 C3C HEM A 238 5.522 0.101 -9.921 1.00 0.00 C HETATM 1277 C4C HEM A 238 5.466 -1.125 -9.160 1.00 0.00 C HETATM 1278 CMC HEM A 238 4.754 2.511 -9.510 1.00 0.00 C HETATM 1279 CAC HEM A 238 6.121 0.234 -11.291 1.00 0.00 C HETATM 1280 CBC HEM A 238 7.010 1.463 -11.463 1.00 0.00 C HETATM 1281 ND HEM A 238 5.065 -3.754 -7.775 1.00 0.00 N HETATM 1282 C1D HEM A 238 5.701 -3.584 -8.993 1.00 0.00 C HETATM 1283 C2D HEM A 238 6.058 -4.866 -9.554 1.00 0.00 C HETATM 1284 C3D HEM A 238 5.642 -5.810 -8.684 1.00 0.00 C HETATM 1285 C4D HEM A 238 5.024 -5.123 -7.575 1.00 0.00 C HETATM 1286 CMD HEM A 238 6.761 -5.063 -10.866 1.00 0.00 C HETATM 1287 CAD HEM A 238 5.775 -7.301 -8.804 1.00 0.00 C HETATM 1288 CBD HEM A 238 4.456 -8.023 -9.059 1.00 0.00 C HETATM 1289 CGD HEM A 238 3.687 -7.373 -10.200 1.00 0.00 C HETATM 1290 O1D HEM A 238 2.651 -6.740 -9.900 1.00 0.00 O HETATM 1291 O2D HEM A 238 4.149 -7.521 -11.352 1.00 0.00 O HETATM 0 HMA1 HEM A 238 2.181 -4.093 -1.539 1.00 0.00 H new HETATM 0 HMA2 HEM A 238 2.396 -5.857 -1.650 1.00 0.00 H new HETATM 0 HMA3 HEM A 238 0.944 -5.092 -2.338 1.00 0.00 H new HETATM 0 HMB1 HEM A 238 1.566 -0.404 -1.860 1.00 0.00 H new HETATM 0 HMB2 HEM A 238 1.776 1.357 -2.013 1.00 0.00 H new HETATM 0 HMB3 HEM A 238 3.115 0.349 -1.414 1.00 0.00 H new HETATM 0 HMC1 HEM A 238 5.558 2.839 -10.169 1.00 0.00 H new HETATM 0 HMC2 HEM A 238 4.769 3.105 -8.596 1.00 0.00 H new HETATM 0 HMC3 HEM A 238 3.796 2.643 -10.013 1.00 0.00 H new HETATM 0 HMD1 HEM A 238 6.500 -4.251 -11.544 1.00 0.00 H new HETATM 0 HMD2 HEM A 238 6.455 -6.013 -11.303 1.00 0.00 H new HETATM 0 HMD3 HEM A 238 7.839 -5.068 -10.704 1.00 0.00 H new HETATM 0 HBB1 HEM A 238 3.797 4.109 -2.520 1.00 0.00 H new HETATM 0 HBB2 HEM A 238 3.998 2.291 -2.055 1.00 0.00 H new HETATM 0 HBC1 HEM A 238 7.495 1.655 -12.420 1.00 0.00 H new HETATM 0 HBC2 HEM A 238 7.160 2.148 -10.629 1.00 0.00 H new HETATM 0 HBA1 HEM A 238 1.945 -7.334 -2.328 1.00 0.00 H new HETATM 0 HBA2 HEM A 238 3.639 -7.152 -1.921 1.00 0.00 H new HETATM 0 HAA1 HEM A 238 4.225 -7.645 -4.320 1.00 0.00 H new HETATM 0 HAA2 HEM A 238 2.515 -7.707 -4.695 1.00 0.00 H new HETATM 0 HBD1 HEM A 238 3.849 -8.009 -8.153 1.00 0.00 H new HETATM 0 HBD2 HEM A 238 4.650 -9.069 -9.297 1.00 0.00 H new HETATM 0 HAD1 HEM A 238 6.220 -7.691 -7.888 1.00 0.00 H new HETATM 0 HAD2 HEM A 238 6.465 -7.530 -9.616 1.00 0.00 H new HETATM 0 HHA HEM A 238 4.528 -6.838 -6.403 1.00 0.00 H new HETATM 0 HHB HEM A 238 1.990 -2.280 -2.700 1.00 0.00 H new HETATM 0 HHC HEM A 238 4.019 2.217 -6.764 1.00 0.00 H new HETATM 0 HHD HEM A 238 6.603 -2.365 -10.475 1.00 0.00 H new HETATM 0 HAB HEM A 238 2.927 3.366 -4.927 1.00 0.00 H new HETATM 0 HAC HEM A 238 5.938 -0.483 -12.091 1.00 0.00 H new HETATM 1292 FE HEM A 261 -3.323 -4.445 -1.623 1.00 0.00 FE HETATM 1293 CHA HEM A 261 -2.802 -7.851 -1.803 1.00 0.00 C HETATM 1294 CHB HEM A 261 -1.720 -3.906 -4.449 1.00 0.00 C HETATM 1295 CHC HEM A 261 -4.287 -1.135 -1.374 1.00 0.00 C HETATM 1296 CHD HEM A 261 -4.980 -5.031 1.518 1.00 0.00 C HETATM 1297 NA HEM A 261 -2.479 -5.640 -2.850 1.00 0.00 N HETATM 1298 C1A HEM A 261 -2.296 -7.010 -2.790 1.00 0.00 C HETATM 1299 C2A HEM A 261 -1.497 -7.458 -3.906 1.00 0.00 C HETATM 1300 C3A HEM A 261 -1.196 -6.367 -4.642 1.00 0.00 C HETATM 1301 C4A HEM A 261 -1.805 -5.233 -3.988 1.00 0.00 C HETATM 1302 CMA HEM A 261 -0.386 -6.298 -5.904 1.00 0.00 C HETATM 1303 CAA HEM A 261 -1.100 -8.883 -4.162 1.00 0.00 C HETATM 1304 CBA HEM A 261 -2.227 -9.751 -4.716 1.00 0.00 C HETATM 1305 CGA HEM A 261 -2.129 -11.177 -4.191 1.00 0.00 C HETATM 1306 O1A HEM A 261 -3.169 -11.678 -3.712 1.00 0.00 O HETATM 1307 O2A HEM A 261 -1.015 -11.738 -4.278 1.00 0.00 O HETATM 1308 NB HEM A 261 -3.072 -2.863 -2.668 1.00 0.00 N HETATM 1309 C1B HEM A 261 -2.351 -2.821 -3.849 1.00 0.00 C HETATM 1310 C2B HEM A 261 -2.343 -1.480 -4.384 1.00 0.00 C HETATM 1311 C3B HEM A 261 -3.054 -0.710 -3.534 1.00 0.00 C HETATM 1312 C4B HEM A 261 -3.510 -1.566 -2.464 1.00 0.00 C HETATM 1313 CMB HEM A 261 -1.658 -1.067 -5.654 1.00 0.00 C HETATM 1314 CAB HEM A 261 -3.342 0.760 -3.640 1.00 0.00 C HETATM 1315 CBB HEM A 261 -4.012 1.168 -4.949 1.00 0.00 C HETATM 1316 NC HEM A 261 -4.508 -3.336 -0.226 1.00 0.00 N HETATM 1317 C1C HEM A 261 -4.694 -1.966 -0.282 1.00 0.00 C HETATM 1318 C2C HEM A 261 -5.281 -1.490 0.948 1.00 0.00 C HETATM 1319 C3C HEM A 261 -5.453 -2.563 1.748 1.00 0.00 C HETATM 1320 C4C HEM A 261 -4.973 -3.715 1.021 1.00 0.00 C HETATM 1321 CMC HEM A 261 -5.621 -0.057 1.239 1.00 0.00 C HETATM 1322 CAC HEM A 261 -6.027 -2.601 3.134 1.00 0.00 C HETATM 1323 CBC HEM A 261 -7.398 -1.942 3.256 1.00 0.00 C HETATM 1324 ND HEM A 261 -3.798 -6.093 -0.370 1.00 0.00 N HETATM 1325 C1D HEM A 261 -4.478 -6.135 0.835 1.00 0.00 C HETATM 1326 C2D HEM A 261 -4.598 -7.498 1.296 1.00 0.00 C HETATM 1327 C3D HEM A 261 -3.995 -8.282 0.378 1.00 0.00 C HETATM 1328 C4D HEM A 261 -3.496 -7.412 -0.661 1.00 0.00 C HETATM 1329 CMD HEM A 261 -5.277 -7.918 2.568 1.00 0.00 C HETATM 1330 CAD HEM A 261 -3.848 -9.776 0.391 1.00 0.00 C HETATM 1331 CBD HEM A 261 -3.346 -10.338 1.719 1.00 0.00 C HETATM 1332 CGD HEM A 261 -3.935 -11.715 1.988 1.00 0.00 C HETATM 1333 O1D HEM A 261 -4.811 -11.794 2.877 1.00 0.00 O HETATM 1334 O2D HEM A 261 -3.499 -12.663 1.300 1.00 0.00 O HETATM 0 HMA1 HEM A 261 -0.739 -5.469 -6.518 1.00 0.00 H new HETATM 0 HMA2 HEM A 261 -0.494 -7.231 -6.457 1.00 0.00 H new HETATM 0 HMA3 HEM A 261 0.664 -6.143 -5.655 1.00 0.00 H new HETATM 0 HMB1 HEM A 261 -2.197 -0.233 -6.104 1.00 0.00 H new HETATM 0 HMB2 HEM A 261 -1.643 -1.907 -6.349 1.00 0.00 H new HETATM 0 HMB3 HEM A 261 -0.635 -0.761 -5.433 1.00 0.00 H new HETATM 0 HMC1 HEM A 261 -4.934 0.596 0.702 1.00 0.00 H new HETATM 0 HMC2 HEM A 261 -5.535 0.127 2.310 1.00 0.00 H new HETATM 0 HMC3 HEM A 261 -6.642 0.147 0.917 1.00 0.00 H new HETATM 0 HMD1 HEM A 261 -5.696 -8.917 2.444 1.00 0.00 H new HETATM 0 HMD2 HEM A 261 -6.077 -7.216 2.803 1.00 0.00 H new HETATM 0 HMD3 HEM A 261 -4.552 -7.927 3.382 1.00 0.00 H new HETATM 0 HBB1 HEM A 261 -4.265 2.213 -5.129 1.00 0.00 H new HETATM 0 HBB2 HEM A 261 -4.238 0.415 -5.704 1.00 0.00 H new HETATM 0 HBC1 HEM A 261 -7.905 -1.914 4.220 1.00 0.00 H new HETATM 0 HBC2 HEM A 261 -7.870 -1.499 2.379 1.00 0.00 H new HETATM 0 HBA1 HEM A 261 -2.184 -9.757 -5.805 1.00 0.00 H new HETATM 0 HBA2 HEM A 261 -3.190 -9.323 -4.438 1.00 0.00 H new HETATM 0 HAA1 HEM A 261 -0.741 -9.322 -3.231 1.00 0.00 H new HETATM 0 HAA2 HEM A 261 -0.266 -8.897 -4.864 1.00 0.00 H new HETATM 0 HBD1 HEM A 261 -3.614 -9.660 2.529 1.00 0.00 H new HETATM 0 HBD2 HEM A 261 -2.258 -10.401 1.703 1.00 0.00 H new HETATM 0 HAD1 HEM A 261 -3.159 -10.070 -0.400 1.00 0.00 H new HETATM 0 HAD2 HEM A 261 -4.812 -10.228 0.158 1.00 0.00 H new HETATM 0 HHA HEM A 261 -2.651 -8.914 -1.922 1.00 0.00 H new HETATM 0 HHB HEM A 261 -1.124 -3.717 -5.329 1.00 0.00 H new HETATM 0 HHC HEM A 261 -4.600 -0.101 -1.360 1.00 0.00 H new HETATM 0 HHD HEM A 261 -5.404 -5.196 2.497 1.00 0.00 H new HETATM 0 HAB HEM A 261 -3.095 1.472 -2.852 1.00 0.00 H new HETATM 0 HAC HEM A 261 -5.511 -3.058 3.978 1.00 0.00 H new HETATM 1335 FE HEM A 278 -11.516 -2.286 5.336 1.00 0.00 FE HETATM 1336 CHA HEM A 278 -14.673 -0.765 4.694 1.00 0.00 C HETATM 1337 CHB HEM A 278 -13.041 -5.309 4.054 1.00 0.00 C HETATM 1338 CHC HEM A 278 -8.755 -4.065 6.005 1.00 0.00 C HETATM 1339 CHD HEM A 278 -10.316 0.581 6.405 1.00 0.00 C HETATM 1340 NA HEM A 278 -13.488 -2.924 4.552 1.00 0.00 N HETATM 1341 C1A HEM A 278 -14.588 -2.110 4.348 1.00 0.00 C HETATM 1342 C2A HEM A 278 -15.653 -2.855 3.719 1.00 0.00 C HETATM 1343 C3A HEM A 278 -15.203 -4.115 3.540 1.00 0.00 C HETATM 1344 C4A HEM A 278 -13.856 -4.163 4.057 1.00 0.00 C HETATM 1345 CMA HEM A 278 -15.929 -5.277 2.926 1.00 0.00 C HETATM 1346 CAA HEM A 278 -16.994 -2.291 3.349 1.00 0.00 C HETATM 1347 CBA HEM A 278 -18.130 -2.743 4.262 1.00 0.00 C HETATM 1348 CGA HEM A 278 -19.289 -1.757 4.225 1.00 0.00 C HETATM 1349 O1A HEM A 278 -19.097 -0.636 4.744 1.00 0.00 O HETATM 1350 O2A HEM A 278 -20.345 -2.143 3.679 1.00 0.00 O HETATM 1351 NB HEM A 278 -11.019 -4.280 5.022 1.00 0.00 N HETATM 1352 C1B HEM A 278 -11.759 -5.367 4.591 1.00 0.00 C HETATM 1353 C2B HEM A 278 -11.011 -6.588 4.777 1.00 0.00 C HETATM 1354 C3B HEM A 278 -9.822 -6.246 5.317 1.00 0.00 C HETATM 1355 C4B HEM A 278 -9.822 -4.811 5.472 1.00 0.00 C HETATM 1356 CMB HEM A 278 -11.504 -7.960 4.420 1.00 0.00 C HETATM 1357 CAB HEM A 278 -8.687 -7.151 5.701 1.00 0.00 C HETATM 1358 CBB HEM A 278 -8.205 -8.055 4.570 1.00 0.00 C HETATM 1359 NC HEM A 278 -9.804 -1.796 5.933 1.00 0.00 N HETATM 1360 C1C HEM A 278 -8.754 -2.623 6.294 1.00 0.00 C HETATM 1361 C2C HEM A 278 -7.803 -1.899 7.103 1.00 0.00 C HETATM 1362 C3C HEM A 278 -8.270 -0.640 7.235 1.00 0.00 C HETATM 1363 C4C HEM A 278 -9.516 -0.571 6.508 1.00 0.00 C HETATM 1364 CMC HEM A 278 -6.541 -2.481 7.672 1.00 0.00 C HETATM 1365 CAC HEM A 278 -7.648 0.503 7.984 1.00 0.00 C HETATM 1366 CBC HEM A 278 -6.245 0.867 7.508 1.00 0.00 C HETATM 1367 ND HEM A 278 -12.328 -0.465 5.433 1.00 0.00 N HETATM 1368 C1D HEM A 278 -11.662 0.578 6.053 1.00 0.00 C HETATM 1369 C2D HEM A 278 -12.566 1.679 6.289 1.00 0.00 C HETATM 1370 C3D HEM A 278 -13.775 1.309 5.816 1.00 0.00 C HETATM 1371 C4D HEM A 278 -13.631 -0.025 5.282 1.00 0.00 C HETATM 1372 CMD HEM A 278 -12.187 2.975 6.943 1.00 0.00 C HETATM 1373 CAD HEM A 278 -15.051 2.099 5.823 1.00 0.00 C HETATM 1374 CBD HEM A 278 -14.853 3.596 6.036 1.00 0.00 C HETATM 1375 CGD HEM A 278 -16.165 4.351 5.878 1.00 0.00 C HETATM 1376 O1D HEM A 278 -16.591 4.510 4.714 1.00 0.00 O HETATM 1377 O2D HEM A 278 -16.717 4.754 6.924 1.00 0.00 O HETATM 0 HMA1 HEM A 278 -16.999 -5.173 3.105 1.00 0.00 H new HETATM 0 HMA2 HEM A 278 -15.575 -6.205 3.374 1.00 0.00 H new HETATM 0 HMA3 HEM A 278 -15.741 -5.298 1.853 1.00 0.00 H new HETATM 0 HMB1 HEM A 278 -12.589 -7.993 4.517 1.00 0.00 H new HETATM 0 HMB2 HEM A 278 -11.057 -8.693 5.092 1.00 0.00 H new HETATM 0 HMB3 HEM A 278 -11.224 -8.191 3.392 1.00 0.00 H new HETATM 0 HMC1 HEM A 278 -5.787 -1.699 7.759 1.00 0.00 H new HETATM 0 HMC2 HEM A 278 -6.174 -3.268 7.013 1.00 0.00 H new HETATM 0 HMC3 HEM A 278 -6.745 -2.899 8.658 1.00 0.00 H new HETATM 0 HMD1 HEM A 278 -11.379 2.801 7.654 1.00 0.00 H new HETATM 0 HMD2 HEM A 278 -13.050 3.384 7.468 1.00 0.00 H new HETATM 0 HMD3 HEM A 278 -11.856 3.683 6.183 1.00 0.00 H new HETATM 0 HBB1 HEM A 278 -7.385 -8.752 4.741 1.00 0.00 H new HETATM 0 HBB2 HEM A 278 -8.681 -8.004 3.591 1.00 0.00 H new HETATM 0 HBC1 HEM A 278 -5.702 1.683 7.985 1.00 0.00 H new HETATM 0 HBC2 HEM A 278 -5.785 0.311 6.691 1.00 0.00 H new HETATM 0 HBA1 HEM A 278 -17.763 -2.839 5.284 1.00 0.00 H new HETATM 0 HBA2 HEM A 278 -18.478 -3.729 3.954 1.00 0.00 H new HETATM 0 HAA1 HEM A 278 -17.228 -2.580 2.324 1.00 0.00 H new HETATM 0 HAA2 HEM A 278 -16.937 -1.203 3.368 1.00 0.00 H new HETATM 0 HBD1 HEM A 278 -14.124 3.975 5.320 1.00 0.00 H new HETATM 0 HBD2 HEM A 278 -14.445 3.774 7.031 1.00 0.00 H new HETATM 0 HAD1 HEM A 278 -15.701 1.713 6.609 1.00 0.00 H new HETATM 0 HAD2 HEM A 278 -15.568 1.942 4.876 1.00 0.00 H new HETATM 0 HHA HEM A 278 -15.604 -0.254 4.497 1.00 0.00 H new HETATM 0 HHB HEM A 278 -13.438 -6.207 3.603 1.00 0.00 H new HETATM 0 HHC HEM A 278 -7.846 -4.605 6.224 1.00 0.00 H new HETATM 0 HHD HEM A 278 -9.853 1.534 6.614 1.00 0.00 H new HETATM 0 HAB HEM A 278 -8.247 -7.161 6.698 1.00 0.00 H new HETATM 0 HAC HEM A 278 -8.154 1.026 8.796 1.00 0.00 H new