USER MOD reduce.3.24.130724 H: found=0, std=0, add=767, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 763 hydrogens (30 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 39 HIS HE2 : A 39 HIS NE2 : A 96 HEMFE :(H bumps) USER MOD NoAdj-H: A 63 HIS HE2 : A 63 HIS NE2 : A 96 HEMFE :(H bumps) USER MOD Set 1.1: A 89 LYS NZ :NH3+ 175:sc= 0.00386 (180deg=0) USER MOD Set 1.2: A 91 SER OG : rot -160:sc= 0.00447 USER MOD Set 2.1: A 71 SER OG : rot 53:sc= 0.0449 USER MOD Set 2.2: A 96 HEM CMB :methyl 150:sc= -0.611 (180deg=-0.611) USER MOD Set 3.1: A 49 GLN : amide:sc= -1.43! C(o=-1.1!,f=-4.5!) USER MOD Set 3.2: A 57 ASN : amide:sc= 0.33 K(o=-1.1,f=-2.8) USER MOD Set 4.1: A 15 HIS : no HE2:sc= 0.509 K(o=0.97,f=-3.2!) USER MOD Set 4.2: A 20 SER OG : rot 160:sc= 0.459 USER MOD Single : A 1 ASP N :NH3+ 176:sc= 1.11 (180deg=1.02) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 174:sc= 1.31 (180deg=1.15) USER MOD Single : A 6 TYR OH : rot 49:sc= 1.25 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.0715 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 32:sc= 0.16 USER MOD Single : A 19 LYS NZ :NH3+ 161:sc= -0.0131 (180deg=-0.192) USER MOD Single : A 21 THR OG1 : rot 80:sc= -0.0512 USER MOD Single : A 26 HIS : no HE2:sc= -0.594 K(o=-0.59,f=-3.7!) USER MOD Single : A 27 HIS : no HE2:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 106:sc= 1.18 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 38:sc= 0.57 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ -121:sc= 1.02 (180deg=0.52) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot -117:sc= 1.36 USER MOD Single : A 80 HIS : no HD1:sc= -1.63 K(o=-1.6,f=-2.7) USER MOD Single : A 85 SER OG : rot -68:sc= 1.04 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 HEM CMA :methyl -30:sc= -0.126 (180deg=-0.414) USER MOD Single : A 96 HEM CMC :methyl -30:sc= -0.519 (180deg=-2.51) USER MOD Single : A 96 HEM CMD :methyl 150:sc= -0.967 (180deg=-0.967) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 5.674 -14.399 -9.256 1.00 0.00 N ATOM 2 CA ASP A 1 6.457 -14.642 -10.480 1.00 0.00 C ATOM 3 C ASP A 1 5.561 -15.212 -11.565 1.00 0.00 C ATOM 4 O ASP A 1 4.448 -15.631 -11.259 1.00 0.00 O ATOM 5 CB ASP A 1 7.630 -15.590 -10.191 1.00 0.00 C ATOM 6 CG ASP A 1 8.552 -15.029 -9.118 1.00 0.00 C ATOM 7 OD1 ASP A 1 8.059 -14.135 -8.391 1.00 0.00 O ATOM 8 OD2 ASP A 1 9.697 -15.512 -9.042 1.00 0.00 O ATOM 0 H1 ASP A 1 6.307 -14.073 -8.498 1.00 0.00 H new ATOM 0 H2 ASP A 1 4.954 -13.672 -9.443 1.00 0.00 H new ATOM 0 H3 ASP A 1 5.207 -15.280 -8.962 1.00 0.00 H new ATOM 0 HA ASP A 1 6.867 -13.694 -10.829 1.00 0.00 H new ATOM 0 HB2 ASP A 1 7.246 -16.559 -9.871 1.00 0.00 H new ATOM 0 HB3 ASP A 1 8.197 -15.758 -11.107 1.00 0.00 H new ATOM 15 N LYS A 2 6.051 -15.229 -12.810 1.00 0.00 N ATOM 16 CA LYS A 2 5.402 -15.820 -13.977 1.00 0.00 C ATOM 17 C LYS A 2 4.226 -14.972 -14.475 1.00 0.00 C ATOM 18 O LYS A 2 4.187 -14.622 -15.652 1.00 0.00 O ATOM 19 CB LYS A 2 4.988 -17.275 -13.687 1.00 0.00 C ATOM 20 CG LYS A 2 4.911 -18.171 -14.938 1.00 0.00 C ATOM 21 CD LYS A 2 6.032 -19.228 -14.952 1.00 0.00 C ATOM 22 CE LYS A 2 7.400 -18.654 -15.352 1.00 0.00 C ATOM 23 NZ LYS A 2 7.524 -18.492 -16.816 1.00 0.00 N ATOM 0 H LYS A 2 6.953 -14.811 -13.038 1.00 0.00 H new ATOM 0 HA LYS A 2 6.128 -15.836 -14.790 1.00 0.00 H new ATOM 0 HB2 LYS A 2 5.699 -17.710 -12.985 1.00 0.00 H new ATOM 0 HB3 LYS A 2 4.015 -17.273 -13.195 1.00 0.00 H new ATOM 0 HG2 LYS A 2 3.942 -18.668 -14.970 1.00 0.00 H new ATOM 0 HG3 LYS A 2 4.982 -17.553 -15.833 1.00 0.00 H new ATOM 0 HD2 LYS A 2 6.110 -19.679 -13.963 1.00 0.00 H new ATOM 0 HD3 LYS A 2 5.763 -20.025 -15.645 1.00 0.00 H new ATOM 0 HE2 LYS A 2 7.544 -17.689 -14.867 1.00 0.00 H new ATOM 0 HE3 LYS A 2 8.190 -19.313 -14.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 8.461 -18.102 -17.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 7.412 -19.417 -17.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 6.787 -17.843 -17.157 1.00 0.00 H new ATOM 37 N ASP A 3 3.273 -14.687 -13.586 1.00 0.00 N ATOM 38 CA ASP A 3 2.058 -13.945 -13.885 1.00 0.00 C ATOM 39 C ASP A 3 2.332 -12.431 -13.876 1.00 0.00 C ATOM 40 O ASP A 3 3.472 -12.017 -14.081 1.00 0.00 O ATOM 41 CB ASP A 3 0.979 -14.380 -12.883 1.00 0.00 C ATOM 42 CG ASP A 3 -0.393 -14.286 -13.525 1.00 0.00 C ATOM 43 OD1 ASP A 3 -0.884 -13.141 -13.593 1.00 0.00 O ATOM 44 OD2 ASP A 3 -0.888 -15.338 -13.975 1.00 0.00 O ATOM 0 H ASP A 3 3.332 -14.977 -12.610 1.00 0.00 H new ATOM 0 HA ASP A 3 1.697 -14.167 -14.889 1.00 0.00 H new ATOM 0 HB2 ASP A 3 1.167 -15.402 -12.555 1.00 0.00 H new ATOM 0 HB3 ASP A 3 1.019 -13.748 -11.996 1.00 0.00 H new ATOM 49 N VAL A 4 1.313 -11.602 -13.624 1.00 0.00 N ATOM 50 CA VAL A 4 1.452 -10.155 -13.483 1.00 0.00 C ATOM 51 C VAL A 4 2.154 -9.860 -12.143 1.00 0.00 C ATOM 52 O VAL A 4 3.331 -10.157 -11.955 1.00 0.00 O ATOM 53 CB VAL A 4 0.071 -9.470 -13.649 1.00 0.00 C ATOM 54 CG1 VAL A 4 0.138 -7.932 -13.624 1.00 0.00 C ATOM 55 CG2 VAL A 4 -0.636 -9.850 -14.953 1.00 0.00 C ATOM 0 H VAL A 4 0.353 -11.927 -13.511 1.00 0.00 H new ATOM 0 HA VAL A 4 2.078 -9.733 -14.269 1.00 0.00 H new ATOM 0 HB VAL A 4 -0.488 -9.835 -12.788 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -0.865 -7.522 -13.745 1.00 0.00 H new ATOM 0 HG12 VAL A 4 0.552 -7.601 -12.672 1.00 0.00 H new ATOM 0 HG13 VAL A 4 0.774 -7.582 -14.437 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -1.597 -9.338 -15.009 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -0.018 -9.555 -15.801 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -0.797 -10.928 -14.979 1.00 0.00 H new ATOM 65 N LYS A 5 1.437 -9.254 -11.201 1.00 0.00 N ATOM 66 CA LYS A 5 1.891 -8.946 -9.856 1.00 0.00 C ATOM 67 C LYS A 5 0.737 -9.273 -8.898 1.00 0.00 C ATOM 68 O LYS A 5 0.358 -8.494 -8.031 1.00 0.00 O ATOM 69 CB LYS A 5 2.450 -7.519 -9.807 1.00 0.00 C ATOM 70 CG LYS A 5 3.832 -7.314 -10.465 1.00 0.00 C ATOM 71 CD LYS A 5 3.788 -6.920 -11.954 1.00 0.00 C ATOM 72 CE LYS A 5 4.683 -5.714 -12.285 1.00 0.00 C ATOM 73 NZ LYS A 5 4.050 -4.436 -11.895 1.00 0.00 N ATOM 0 H LYS A 5 0.477 -8.951 -11.367 1.00 0.00 H new ATOM 0 HA LYS A 5 2.734 -9.555 -9.531 1.00 0.00 H new ATOM 0 HB2 LYS A 5 1.736 -6.853 -10.291 1.00 0.00 H new ATOM 0 HB3 LYS A 5 2.516 -7.211 -8.764 1.00 0.00 H new ATOM 0 HG2 LYS A 5 4.369 -6.541 -9.915 1.00 0.00 H new ATOM 0 HG3 LYS A 5 4.407 -8.235 -10.364 1.00 0.00 H new ATOM 0 HD2 LYS A 5 4.098 -7.772 -12.559 1.00 0.00 H new ATOM 0 HD3 LYS A 5 2.760 -6.689 -12.233 1.00 0.00 H new ATOM 0 HE2 LYS A 5 5.638 -5.818 -11.770 1.00 0.00 H new ATOM 0 HE3 LYS A 5 4.896 -5.702 -13.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 4.723 -3.657 -12.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 3.204 -4.276 -12.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 3.777 -4.476 -10.892 1.00 0.00 H new ATOM 87 N TYR A 6 0.147 -10.456 -9.064 1.00 0.00 N ATOM 88 CA TYR A 6 -0.852 -10.950 -8.131 1.00 0.00 C ATOM 89 C TYR A 6 -0.144 -11.411 -6.856 1.00 0.00 C ATOM 90 O TYR A 6 0.784 -12.214 -6.947 1.00 0.00 O ATOM 91 CB TYR A 6 -1.649 -12.086 -8.771 1.00 0.00 C ATOM 92 CG TYR A 6 -2.561 -11.622 -9.887 1.00 0.00 C ATOM 93 CD1 TYR A 6 -3.850 -11.147 -9.590 1.00 0.00 C ATOM 94 CD2 TYR A 6 -2.101 -11.597 -11.215 1.00 0.00 C ATOM 95 CE1 TYR A 6 -4.695 -10.708 -10.620 1.00 0.00 C ATOM 96 CE2 TYR A 6 -2.930 -11.102 -12.237 1.00 0.00 C ATOM 97 CZ TYR A 6 -4.206 -10.607 -11.931 1.00 0.00 C ATOM 98 OH TYR A 6 -4.880 -9.862 -12.848 1.00 0.00 O ATOM 0 H TYR A 6 0.347 -11.088 -9.839 1.00 0.00 H new ATOM 0 HA TYR A 6 -1.557 -10.159 -7.876 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -0.956 -12.831 -9.163 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -2.246 -12.579 -8.004 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -4.191 -11.120 -8.566 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -1.111 -11.958 -11.450 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -5.721 -10.448 -10.404 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -2.583 -11.103 -13.260 1.00 0.00 H new ATOM 0 HH TYR A 6 -5.079 -8.980 -12.470 1.00 0.00 H new ATOM 108 N TYR A 7 -0.556 -10.909 -5.687 1.00 0.00 N ATOM 109 CA TYR A 7 0.034 -11.278 -4.401 1.00 0.00 C ATOM 110 C TYR A 7 -1.048 -11.796 -3.452 1.00 0.00 C ATOM 111 O TYR A 7 -2.177 -11.311 -3.479 1.00 0.00 O ATOM 112 CB TYR A 7 0.758 -10.068 -3.806 1.00 0.00 C ATOM 113 CG TYR A 7 1.789 -9.441 -4.723 1.00 0.00 C ATOM 114 CD1 TYR A 7 2.911 -10.180 -5.136 1.00 0.00 C ATOM 115 CD2 TYR A 7 1.628 -8.114 -5.158 1.00 0.00 C ATOM 116 CE1 TYR A 7 3.873 -9.593 -5.976 1.00 0.00 C ATOM 117 CE2 TYR A 7 2.607 -7.519 -5.970 1.00 0.00 C ATOM 118 CZ TYR A 7 3.733 -8.252 -6.370 1.00 0.00 C ATOM 119 OH TYR A 7 4.680 -7.662 -7.152 1.00 0.00 O ATOM 0 H TYR A 7 -1.314 -10.231 -5.609 1.00 0.00 H new ATOM 0 HA TYR A 7 0.759 -12.079 -4.548 1.00 0.00 H new ATOM 0 HB2 TYR A 7 0.019 -9.312 -3.540 1.00 0.00 H new ATOM 0 HB3 TYR A 7 1.249 -10.372 -2.882 1.00 0.00 H new ATOM 0 HD1 TYR A 7 3.034 -11.201 -4.807 1.00 0.00 H new ATOM 0 HD2 TYR A 7 0.752 -7.553 -4.868 1.00 0.00 H new ATOM 0 HE1 TYR A 7 4.718 -10.172 -6.318 1.00 0.00 H new ATOM 0 HE2 TYR A 7 2.492 -6.493 -6.287 1.00 0.00 H new ATOM 0 HH TYR A 7 4.424 -6.733 -7.331 1.00 0.00 H new ATOM 129 N THR A 8 -0.717 -12.793 -2.625 1.00 0.00 N ATOM 130 CA THR A 8 -1.655 -13.435 -1.713 1.00 0.00 C ATOM 131 C THR A 8 -1.591 -12.758 -0.345 1.00 0.00 C ATOM 132 O THR A 8 -0.583 -12.141 -0.013 1.00 0.00 O ATOM 133 CB THR A 8 -1.310 -14.930 -1.599 1.00 0.00 C ATOM 134 OG1 THR A 8 -0.020 -15.080 -1.042 1.00 0.00 O ATOM 135 CG2 THR A 8 -1.383 -15.657 -2.947 1.00 0.00 C ATOM 0 H THR A 8 0.226 -13.179 -2.574 1.00 0.00 H new ATOM 0 HA THR A 8 -2.670 -13.337 -2.097 1.00 0.00 H new ATOM 0 HB THR A 8 -2.056 -15.386 -0.948 1.00 0.00 H new ATOM 0 HG1 THR A 8 0.196 -16.033 -0.969 1.00 0.00 H new ATOM 0 HG21 THR A 8 -1.130 -16.708 -2.808 1.00 0.00 H new ATOM 0 HG22 THR A 8 -2.393 -15.577 -3.349 1.00 0.00 H new ATOM 0 HG23 THR A 8 -0.678 -15.204 -3.644 1.00 0.00 H new ATOM 143 N LEU A 9 -2.657 -12.871 0.458 1.00 0.00 N ATOM 144 CA LEU A 9 -2.769 -12.177 1.731 1.00 0.00 C ATOM 145 C LEU A 9 -1.542 -12.428 2.597 1.00 0.00 C ATOM 146 O LEU A 9 -0.934 -11.481 3.079 1.00 0.00 O ATOM 147 CB LEU A 9 -4.025 -12.625 2.490 1.00 0.00 C ATOM 148 CG LEU A 9 -5.370 -12.128 1.944 1.00 0.00 C ATOM 149 CD1 LEU A 9 -5.448 -10.600 1.837 1.00 0.00 C ATOM 150 CD2 LEU A 9 -5.757 -12.812 0.635 1.00 0.00 C ATOM 0 H LEU A 9 -3.466 -13.451 0.234 1.00 0.00 H new ATOM 0 HA LEU A 9 -2.842 -11.111 1.516 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -4.044 -13.715 2.504 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -3.934 -12.295 3.525 1.00 0.00 H new ATOM 0 HG LEU A 9 -6.113 -12.419 2.686 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -6.423 -10.312 1.445 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -5.309 -10.159 2.824 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -4.667 -10.242 1.166 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -6.716 -12.424 0.292 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -4.995 -12.613 -0.118 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.837 -13.887 0.796 1.00 0.00 H new ATOM 162 N GLU A 10 -1.187 -13.699 2.796 1.00 0.00 N ATOM 163 CA GLU A 10 -0.037 -14.088 3.585 1.00 0.00 C ATOM 164 C GLU A 10 1.207 -13.331 3.102 1.00 0.00 C ATOM 165 O GLU A 10 1.883 -12.667 3.882 1.00 0.00 O ATOM 166 CB GLU A 10 0.122 -15.609 3.455 1.00 0.00 C ATOM 167 CG GLU A 10 1.201 -16.154 4.397 1.00 0.00 C ATOM 168 CD GLU A 10 0.598 -16.879 5.594 1.00 0.00 C ATOM 169 OE1 GLU A 10 0.002 -17.952 5.356 1.00 0.00 O ATOM 170 OE2 GLU A 10 0.721 -16.337 6.712 1.00 0.00 O ATOM 0 H GLU A 10 -1.701 -14.489 2.406 1.00 0.00 H new ATOM 0 HA GLU A 10 -0.171 -13.833 4.636 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -0.830 -16.093 3.674 1.00 0.00 H new ATOM 0 HB3 GLU A 10 0.378 -15.860 2.426 1.00 0.00 H new ATOM 0 HG2 GLU A 10 1.850 -16.837 3.849 1.00 0.00 H new ATOM 0 HG3 GLU A 10 1.826 -15.332 4.747 1.00 0.00 H new ATOM 177 N GLU A 11 1.485 -13.416 1.799 1.00 0.00 N ATOM 178 CA GLU A 11 2.676 -12.832 1.203 1.00 0.00 C ATOM 179 C GLU A 11 2.677 -11.315 1.410 1.00 0.00 C ATOM 180 O GLU A 11 3.637 -10.743 1.923 1.00 0.00 O ATOM 181 CB GLU A 11 2.744 -13.242 -0.277 1.00 0.00 C ATOM 182 CG GLU A 11 4.188 -13.407 -0.788 1.00 0.00 C ATOM 183 CD GLU A 11 4.399 -14.620 -1.698 1.00 0.00 C ATOM 184 OE1 GLU A 11 3.542 -15.530 -1.689 1.00 0.00 O ATOM 185 OE2 GLU A 11 5.445 -14.617 -2.380 1.00 0.00 O ATOM 0 H GLU A 11 0.883 -13.896 1.129 1.00 0.00 H new ATOM 0 HA GLU A 11 3.577 -13.207 1.689 1.00 0.00 H new ATOM 0 HB2 GLU A 11 2.206 -14.180 -0.414 1.00 0.00 H new ATOM 0 HB3 GLU A 11 2.234 -12.491 -0.881 1.00 0.00 H new ATOM 0 HG2 GLU A 11 4.474 -12.506 -1.331 1.00 0.00 H new ATOM 0 HG3 GLU A 11 4.857 -13.489 0.069 1.00 0.00 H new ATOM 192 N ILE A 12 1.566 -10.666 1.065 1.00 0.00 N ATOM 193 CA ILE A 12 1.351 -9.247 1.293 1.00 0.00 C ATOM 194 C ILE A 12 1.678 -8.904 2.756 1.00 0.00 C ATOM 195 O ILE A 12 2.511 -8.041 3.028 1.00 0.00 O ATOM 196 CB ILE A 12 -0.097 -8.900 0.891 1.00 0.00 C ATOM 197 CG1 ILE A 12 -0.309 -9.086 -0.622 1.00 0.00 C ATOM 198 CG2 ILE A 12 -0.422 -7.451 1.244 1.00 0.00 C ATOM 199 CD1 ILE A 12 -1.790 -9.138 -1.016 1.00 0.00 C ATOM 0 H ILE A 12 0.777 -11.126 0.610 1.00 0.00 H new ATOM 0 HA ILE A 12 2.016 -8.639 0.679 1.00 0.00 H new ATOM 0 HB ILE A 12 -0.754 -9.574 1.440 1.00 0.00 H new ATOM 0 HG12 ILE A 12 0.175 -8.267 -1.155 1.00 0.00 H new ATOM 0 HG13 ILE A 12 0.179 -10.007 -0.942 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -1.448 -7.227 0.952 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -0.310 -7.304 2.318 1.00 0.00 H new ATOM 0 HG23 ILE A 12 0.260 -6.786 0.714 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.875 -9.270 -2.095 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -2.272 -9.973 -0.509 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -2.277 -8.207 -0.725 1.00 0.00 H new ATOM 211 N GLN A 13 1.063 -9.616 3.703 1.00 0.00 N ATOM 212 CA GLN A 13 1.236 -9.389 5.136 1.00 0.00 C ATOM 213 C GLN A 13 2.636 -9.790 5.634 1.00 0.00 C ATOM 214 O GLN A 13 2.969 -9.533 6.788 1.00 0.00 O ATOM 215 CB GLN A 13 0.104 -10.097 5.913 1.00 0.00 C ATOM 216 CG GLN A 13 -0.623 -9.163 6.890 1.00 0.00 C ATOM 217 CD GLN A 13 0.257 -8.739 8.058 1.00 0.00 C ATOM 218 OE1 GLN A 13 0.763 -7.623 8.096 1.00 0.00 O ATOM 219 NE2 GLN A 13 0.440 -9.629 9.030 1.00 0.00 N ATOM 0 H GLN A 13 0.420 -10.379 3.490 1.00 0.00 H new ATOM 0 HA GLN A 13 1.164 -8.318 5.325 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -0.616 -10.505 5.204 1.00 0.00 H new ATOM 0 HB3 GLN A 13 0.521 -10.939 6.465 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -0.962 -8.276 6.355 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -1.512 -9.664 7.273 1.00 0.00 H new ATOM 0 HE21 GLN A 13 0.004 -10.549 8.968 1.00 0.00 H new ATOM 0 HE22 GLN A 13 1.016 -9.391 9.838 1.00 0.00 H new ATOM 228 N LYS A 14 3.470 -10.401 4.784 1.00 0.00 N ATOM 229 CA LYS A 14 4.837 -10.788 5.102 1.00 0.00 C ATOM 230 C LYS A 14 5.816 -9.664 4.718 1.00 0.00 C ATOM 231 O LYS A 14 6.920 -9.601 5.259 1.00 0.00 O ATOM 232 CB LYS A 14 5.100 -12.163 4.455 1.00 0.00 C ATOM 233 CG LYS A 14 6.523 -12.727 4.547 1.00 0.00 C ATOM 234 CD LYS A 14 7.434 -12.189 3.428 1.00 0.00 C ATOM 235 CE LYS A 14 8.239 -13.331 2.787 1.00 0.00 C ATOM 236 NZ LYS A 14 9.077 -12.863 1.663 1.00 0.00 N ATOM 0 H LYS A 14 3.199 -10.644 3.831 1.00 0.00 H new ATOM 0 HA LYS A 14 4.997 -10.914 6.173 1.00 0.00 H new ATOM 0 HB2 LYS A 14 4.422 -12.885 4.911 1.00 0.00 H new ATOM 0 HB3 LYS A 14 4.832 -12.096 3.401 1.00 0.00 H new ATOM 0 HG2 LYS A 14 6.951 -12.472 5.516 1.00 0.00 H new ATOM 0 HG3 LYS A 14 6.485 -13.815 4.491 1.00 0.00 H new ATOM 0 HD2 LYS A 14 6.831 -11.692 2.669 1.00 0.00 H new ATOM 0 HD3 LYS A 14 8.115 -11.441 3.834 1.00 0.00 H new ATOM 0 HE2 LYS A 14 8.874 -13.794 3.543 1.00 0.00 H new ATOM 0 HE3 LYS A 14 7.554 -14.100 2.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 9.601 -13.667 1.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 8.471 -12.444 0.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 9.750 -12.148 2.006 1.00 0.00 H new ATOM 250 N HIS A 15 5.429 -8.741 3.828 1.00 0.00 N ATOM 251 CA HIS A 15 6.256 -7.585 3.485 1.00 0.00 C ATOM 252 C HIS A 15 6.175 -6.501 4.566 1.00 0.00 C ATOM 253 O HIS A 15 5.370 -5.578 4.462 1.00 0.00 O ATOM 254 CB HIS A 15 5.848 -7.025 2.116 1.00 0.00 C ATOM 255 CG HIS A 15 6.478 -7.766 0.969 1.00 0.00 C ATOM 256 ND1 HIS A 15 7.725 -7.512 0.439 1.00 0.00 N ATOM 257 CD2 HIS A 15 5.938 -8.827 0.294 1.00 0.00 C ATOM 258 CE1 HIS A 15 7.928 -8.417 -0.535 1.00 0.00 C ATOM 259 NE2 HIS A 15 6.879 -9.248 -0.650 1.00 0.00 N ATOM 0 H HIS A 15 4.539 -8.777 3.330 1.00 0.00 H new ATOM 0 HA HIS A 15 7.293 -7.915 3.429 1.00 0.00 H new ATOM 0 HB2 HIS A 15 4.763 -7.070 2.019 1.00 0.00 H new ATOM 0 HB3 HIS A 15 6.129 -5.973 2.061 1.00 0.00 H new ATOM 0 HD1 HIS A 15 8.371 -6.778 0.730 1.00 0.00 H new ATOM 0 HD2 HIS A 15 4.963 -9.260 0.460 1.00 0.00 H new ATOM 0 HE1 HIS A 15 8.818 -8.469 -1.145 1.00 0.00 H new ATOM 267 N LYS A 16 7.033 -6.583 5.591 1.00 0.00 N ATOM 268 CA LYS A 16 7.135 -5.558 6.627 1.00 0.00 C ATOM 269 C LYS A 16 8.596 -5.277 7.020 1.00 0.00 C ATOM 270 O LYS A 16 8.863 -4.759 8.109 1.00 0.00 O ATOM 271 CB LYS A 16 6.252 -5.992 7.810 1.00 0.00 C ATOM 272 CG LYS A 16 5.872 -4.806 8.705 1.00 0.00 C ATOM 273 CD LYS A 16 4.701 -5.132 9.647 1.00 0.00 C ATOM 274 CE LYS A 16 5.089 -6.006 10.849 1.00 0.00 C ATOM 275 NZ LYS A 16 5.850 -5.255 11.868 1.00 0.00 N ATOM 0 H LYS A 16 7.675 -7.365 5.722 1.00 0.00 H new ATOM 0 HA LYS A 16 6.770 -4.602 6.251 1.00 0.00 H new ATOM 0 HB2 LYS A 16 5.346 -6.467 7.432 1.00 0.00 H new ATOM 0 HB3 LYS A 16 6.780 -6.739 8.402 1.00 0.00 H new ATOM 0 HG2 LYS A 16 6.738 -4.509 9.296 1.00 0.00 H new ATOM 0 HG3 LYS A 16 5.605 -3.954 8.080 1.00 0.00 H new ATOM 0 HD2 LYS A 16 4.272 -4.199 10.013 1.00 0.00 H new ATOM 0 HD3 LYS A 16 3.922 -5.640 9.079 1.00 0.00 H new ATOM 0 HE2 LYS A 16 4.187 -6.417 11.303 1.00 0.00 H new ATOM 0 HE3 LYS A 16 5.685 -6.851 10.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 6.089 -5.887 12.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 6.725 -4.884 11.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 5.273 -4.464 12.219 1.00 0.00 H new ATOM 289 N ASP A 17 9.539 -5.607 6.130 1.00 0.00 N ATOM 290 CA ASP A 17 10.967 -5.445 6.376 1.00 0.00 C ATOM 291 C ASP A 17 11.413 -3.996 6.136 1.00 0.00 C ATOM 292 O ASP A 17 10.667 -3.191 5.572 1.00 0.00 O ATOM 293 CB ASP A 17 11.756 -6.435 5.505 1.00 0.00 C ATOM 294 CG ASP A 17 13.221 -6.437 5.910 1.00 0.00 C ATOM 295 OD1 ASP A 17 13.475 -6.837 7.065 1.00 0.00 O ATOM 296 OD2 ASP A 17 14.042 -5.935 5.117 1.00 0.00 O ATOM 0 H ASP A 17 9.325 -5.997 5.212 1.00 0.00 H new ATOM 0 HA ASP A 17 11.173 -5.666 7.423 1.00 0.00 H new ATOM 0 HB2 ASP A 17 11.340 -7.437 5.612 1.00 0.00 H new ATOM 0 HB3 ASP A 17 11.662 -6.161 4.454 1.00 0.00 H new ATOM 301 N SER A 18 12.627 -3.649 6.571 1.00 0.00 N ATOM 302 CA SER A 18 13.253 -2.377 6.261 1.00 0.00 C ATOM 303 C SER A 18 13.313 -2.195 4.745 1.00 0.00 C ATOM 304 O SER A 18 13.780 -3.087 4.047 1.00 0.00 O ATOM 305 CB SER A 18 14.667 -2.382 6.848 1.00 0.00 C ATOM 306 OG SER A 18 15.331 -3.590 6.522 1.00 0.00 O ATOM 0 H SER A 18 13.203 -4.256 7.154 1.00 0.00 H new ATOM 0 HA SER A 18 12.679 -1.555 6.688 1.00 0.00 H new ATOM 0 HB2 SER A 18 15.231 -1.533 6.462 1.00 0.00 H new ATOM 0 HB3 SER A 18 14.619 -2.266 7.931 1.00 0.00 H new ATOM 0 HG SER A 18 15.017 -3.911 5.651 1.00 0.00 H new ATOM 312 N LYS A 19 12.865 -1.043 4.233 1.00 0.00 N ATOM 313 CA LYS A 19 12.816 -0.796 2.797 1.00 0.00 C ATOM 314 C LYS A 19 12.003 -1.894 2.086 1.00 0.00 C ATOM 315 O LYS A 19 12.432 -2.443 1.072 1.00 0.00 O ATOM 316 CB LYS A 19 14.246 -0.632 2.231 1.00 0.00 C ATOM 317 CG LYS A 19 14.820 0.779 2.431 1.00 0.00 C ATOM 318 CD LYS A 19 14.576 1.681 1.203 1.00 0.00 C ATOM 319 CE LYS A 19 15.750 2.645 0.973 1.00 0.00 C ATOM 320 NZ LYS A 19 16.971 1.937 0.525 1.00 0.00 N ATOM 0 H LYS A 19 12.530 -0.265 4.801 1.00 0.00 H new ATOM 0 HA LYS A 19 12.296 0.143 2.607 1.00 0.00 H new ATOM 0 HB2 LYS A 19 14.905 -1.356 2.711 1.00 0.00 H new ATOM 0 HB3 LYS A 19 14.237 -0.866 1.166 1.00 0.00 H new ATOM 0 HG2 LYS A 19 14.366 1.234 3.311 1.00 0.00 H new ATOM 0 HG3 LYS A 19 15.891 0.711 2.624 1.00 0.00 H new ATOM 0 HD2 LYS A 19 14.433 1.062 0.318 1.00 0.00 H new ATOM 0 HD3 LYS A 19 13.658 2.251 1.345 1.00 0.00 H new ATOM 0 HE2 LYS A 19 15.468 3.388 0.227 1.00 0.00 H new ATOM 0 HE3 LYS A 19 15.962 3.184 1.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 17.622 2.615 0.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 17.437 1.496 1.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 16.713 1.202 -0.164 1.00 0.00 H new ATOM 334 N SER A 20 10.809 -2.201 2.606 1.00 0.00 N ATOM 335 CA SER A 20 9.856 -3.090 1.945 1.00 0.00 C ATOM 336 C SER A 20 8.432 -2.749 2.409 1.00 0.00 C ATOM 337 O SER A 20 7.659 -3.629 2.787 1.00 0.00 O ATOM 338 CB SER A 20 10.242 -4.560 2.197 1.00 0.00 C ATOM 339 OG SER A 20 9.772 -5.400 1.149 1.00 0.00 O ATOM 0 H SER A 20 10.479 -1.837 3.500 1.00 0.00 H new ATOM 0 HA SER A 20 9.885 -2.944 0.865 1.00 0.00 H new ATOM 0 HB2 SER A 20 11.326 -4.646 2.278 1.00 0.00 H new ATOM 0 HB3 SER A 20 9.824 -4.891 3.148 1.00 0.00 H new ATOM 0 HG SER A 20 10.279 -6.238 1.149 1.00 0.00 H new ATOM 345 N THR A 21 8.077 -1.459 2.421 1.00 0.00 N ATOM 346 CA THR A 21 6.786 -0.997 2.878 1.00 0.00 C ATOM 347 C THR A 21 5.749 -1.172 1.775 1.00 0.00 C ATOM 348 O THR A 21 5.515 -0.269 0.971 1.00 0.00 O ATOM 349 CB THR A 21 6.903 0.458 3.326 1.00 0.00 C ATOM 350 OG1 THR A 21 7.943 0.549 4.277 1.00 0.00 O ATOM 351 CG2 THR A 21 5.584 0.884 3.962 1.00 0.00 C ATOM 0 H THR A 21 8.693 -0.709 2.108 1.00 0.00 H new ATOM 0 HA THR A 21 6.455 -1.589 3.731 1.00 0.00 H new ATOM 0 HB THR A 21 7.121 1.106 2.478 1.00 0.00 H new ATOM 0 HG1 THR A 21 8.807 0.568 3.816 1.00 0.00 H new ATOM 0 HG21 THR A 21 5.655 1.922 4.286 1.00 0.00 H new ATOM 0 HG22 THR A 21 4.780 0.786 3.233 1.00 0.00 H new ATOM 0 HG23 THR A 21 5.373 0.249 4.822 1.00 0.00 H new ATOM 359 N TRP A 22 5.108 -2.335 1.777 1.00 0.00 N ATOM 360 CA TRP A 22 3.942 -2.599 0.956 1.00 0.00 C ATOM 361 C TRP A 22 2.678 -2.148 1.685 1.00 0.00 C ATOM 362 O TRP A 22 2.724 -1.928 2.894 1.00 0.00 O ATOM 363 CB TRP A 22 3.907 -4.088 0.653 1.00 0.00 C ATOM 364 CG TRP A 22 4.913 -4.560 -0.350 1.00 0.00 C ATOM 365 CD1 TRP A 22 6.092 -3.981 -0.684 1.00 0.00 C ATOM 366 CD2 TRP A 22 4.781 -5.715 -1.214 1.00 0.00 C ATOM 367 NE1 TRP A 22 6.690 -4.706 -1.692 1.00 0.00 N ATOM 368 CE2 TRP A 22 5.923 -5.792 -2.060 1.00 0.00 C ATOM 369 CE3 TRP A 22 3.782 -6.691 -1.374 1.00 0.00 C ATOM 370 CZ2 TRP A 22 6.071 -6.805 -3.016 1.00 0.00 C ATOM 371 CZ3 TRP A 22 3.923 -7.722 -2.317 1.00 0.00 C ATOM 372 CH2 TRP A 22 5.070 -7.785 -3.130 1.00 0.00 C ATOM 0 H TRP A 22 5.389 -3.126 2.356 1.00 0.00 H new ATOM 0 HA TRP A 22 3.994 -2.042 0.020 1.00 0.00 H new ATOM 0 HB2 TRP A 22 4.061 -4.635 1.583 1.00 0.00 H new ATOM 0 HB3 TRP A 22 2.911 -4.346 0.293 1.00 0.00 H new ATOM 0 HD1 TRP A 22 6.500 -3.090 -0.231 1.00 0.00 H new ATOM 0 HE1 TRP A 22 7.588 -4.469 -2.114 1.00 0.00 H new ATOM 0 HE3 TRP A 22 2.893 -6.647 -0.763 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 6.941 -6.833 -3.656 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 3.149 -8.469 -2.419 1.00 0.00 H new ATOM 0 HH2 TRP A 22 5.181 -8.588 -3.843 1.00 0.00 H new ATOM 383 N VAL A 23 1.565 -2.020 0.961 1.00 0.00 N ATOM 384 CA VAL A 23 0.231 -1.742 1.492 1.00 0.00 C ATOM 385 C VAL A 23 -0.799 -2.149 0.429 1.00 0.00 C ATOM 386 O VAL A 23 -0.444 -2.240 -0.749 1.00 0.00 O ATOM 387 CB VAL A 23 0.054 -0.248 1.829 1.00 0.00 C ATOM 388 CG1 VAL A 23 0.498 0.147 3.242 1.00 0.00 C ATOM 389 CG2 VAL A 23 0.749 0.647 0.803 1.00 0.00 C ATOM 0 H VAL A 23 1.570 -2.111 -0.055 1.00 0.00 H new ATOM 0 HA VAL A 23 0.092 -2.308 2.413 1.00 0.00 H new ATOM 0 HB VAL A 23 -1.024 -0.090 1.789 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.337 1.215 3.389 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -0.083 -0.412 3.976 1.00 0.00 H new ATOM 0 HG13 VAL A 23 1.557 -0.081 3.368 1.00 0.00 H new ATOM 0 HG21 VAL A 23 0.602 1.693 1.074 1.00 0.00 H new ATOM 0 HG22 VAL A 23 1.815 0.422 0.787 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.325 0.465 -0.185 1.00 0.00 H new ATOM 399 N ILE A 24 -2.067 -2.354 0.826 1.00 0.00 N ATOM 400 CA ILE A 24 -3.177 -2.644 -0.070 1.00 0.00 C ATOM 401 C ILE A 24 -4.307 -1.623 0.093 1.00 0.00 C ATOM 402 O ILE A 24 -4.888 -1.495 1.176 1.00 0.00 O ATOM 403 CB ILE A 24 -3.661 -4.090 0.075 1.00 0.00 C ATOM 404 CG1 ILE A 24 -4.315 -4.396 1.425 1.00 0.00 C ATOM 405 CG2 ILE A 24 -2.504 -5.053 -0.173 1.00 0.00 C ATOM 406 CD1 ILE A 24 -5.842 -4.481 1.321 1.00 0.00 C ATOM 0 H ILE A 24 -2.345 -2.320 1.807 1.00 0.00 H new ATOM 0 HA ILE A 24 -2.812 -2.546 -1.093 1.00 0.00 H new ATOM 0 HB ILE A 24 -4.439 -4.226 -0.676 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -3.926 -5.338 1.811 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -4.044 -3.622 2.142 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -2.856 -6.079 -0.068 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -2.116 -4.904 -1.181 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -1.712 -4.865 0.552 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -6.262 -4.700 2.303 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -6.236 -3.530 0.962 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -6.116 -5.274 0.625 1.00 0.00 H new ATOM 418 N LEU A 25 -4.578 -0.853 -0.968 1.00 0.00 N ATOM 419 CA LEU A 25 -5.561 0.225 -0.946 1.00 0.00 C ATOM 420 C LEU A 25 -6.623 -0.035 -2.017 1.00 0.00 C ATOM 421 O LEU A 25 -6.357 0.141 -3.206 1.00 0.00 O ATOM 422 CB LEU A 25 -4.925 1.620 -1.071 1.00 0.00 C ATOM 423 CG LEU A 25 -3.644 1.870 -0.251 1.00 0.00 C ATOM 424 CD1 LEU A 25 -3.479 3.373 -0.087 1.00 0.00 C ATOM 425 CD2 LEU A 25 -3.639 1.326 1.181 1.00 0.00 C ATOM 0 H LEU A 25 -4.115 -0.965 -1.870 1.00 0.00 H new ATOM 0 HA LEU A 25 -6.044 0.227 0.031 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.697 1.798 -2.122 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -5.668 2.361 -0.776 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.860 1.357 -0.808 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.578 3.579 0.491 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.395 3.839 -1.069 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.346 3.779 0.435 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.687 1.563 1.657 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -4.451 1.783 1.747 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.775 0.245 1.160 1.00 0.00 H new ATOM 437 N HIS A 26 -7.813 -0.481 -1.599 1.00 0.00 N ATOM 438 CA HIS A 26 -8.925 -0.809 -2.494 1.00 0.00 C ATOM 439 C HIS A 26 -8.527 -1.865 -3.534 1.00 0.00 C ATOM 440 O HIS A 26 -8.495 -1.594 -4.734 1.00 0.00 O ATOM 441 CB HIS A 26 -9.500 0.446 -3.170 1.00 0.00 C ATOM 442 CG HIS A 26 -10.090 1.438 -2.209 1.00 0.00 C ATOM 443 ND1 HIS A 26 -11.431 1.608 -1.938 1.00 0.00 N ATOM 444 CD2 HIS A 26 -9.394 2.364 -1.485 1.00 0.00 C ATOM 445 CE1 HIS A 26 -11.536 2.620 -1.060 1.00 0.00 C ATOM 446 NE2 HIS A 26 -10.322 3.106 -0.760 1.00 0.00 N ATOM 0 H HIS A 26 -8.032 -0.626 -0.613 1.00 0.00 H new ATOM 0 HA HIS A 26 -9.712 -1.239 -1.875 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -8.710 0.934 -3.741 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -10.268 0.144 -3.882 1.00 0.00 H new ATOM 0 HD1 HIS A 26 -12.201 1.066 -2.331 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -8.322 2.496 -1.477 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -12.466 2.990 -0.654 1.00 0.00 H new ATOM 454 N HIS A 27 -8.270 -3.091 -3.066 1.00 0.00 N ATOM 455 CA HIS A 27 -8.033 -4.261 -3.908 1.00 0.00 C ATOM 456 C HIS A 27 -6.917 -4.024 -4.932 1.00 0.00 C ATOM 457 O HIS A 27 -7.076 -4.335 -6.110 1.00 0.00 O ATOM 458 CB HIS A 27 -9.331 -4.693 -4.611 1.00 0.00 C ATOM 459 CG HIS A 27 -10.473 -5.046 -3.693 1.00 0.00 C ATOM 460 ND1 HIS A 27 -11.798 -4.735 -3.906 1.00 0.00 N ATOM 461 CD2 HIS A 27 -10.407 -5.829 -2.572 1.00 0.00 C ATOM 462 CE1 HIS A 27 -12.510 -5.313 -2.923 1.00 0.00 C ATOM 463 NE2 HIS A 27 -11.705 -5.982 -2.083 1.00 0.00 N ATOM 0 H HIS A 27 -8.221 -3.299 -2.069 1.00 0.00 H new ATOM 0 HA HIS A 27 -7.701 -5.066 -3.253 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -9.653 -3.888 -5.271 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -9.114 -5.555 -5.242 1.00 0.00 H new ATOM 0 HD1 HIS A 27 -12.170 -4.170 -4.669 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -9.511 -6.252 -2.143 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -13.583 -5.248 -2.823 1.00 0.00 H new ATOM 471 N LYS A 28 -5.779 -3.502 -4.474 1.00 0.00 N ATOM 472 CA LYS A 28 -4.604 -3.219 -5.284 1.00 0.00 C ATOM 473 C LYS A 28 -3.434 -3.099 -4.319 1.00 0.00 C ATOM 474 O LYS A 28 -3.618 -2.507 -3.254 1.00 0.00 O ATOM 475 CB LYS A 28 -4.805 -1.913 -6.059 1.00 0.00 C ATOM 476 CG LYS A 28 -5.162 -2.185 -7.521 1.00 0.00 C ATOM 477 CD LYS A 28 -5.728 -0.911 -8.160 1.00 0.00 C ATOM 478 CE LYS A 28 -6.108 -1.155 -9.628 1.00 0.00 C ATOM 479 NZ LYS A 28 -7.424 -1.812 -9.758 1.00 0.00 N ATOM 0 H LYS A 28 -5.650 -3.257 -3.492 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.423 -4.006 -6.016 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.597 -1.328 -5.592 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -3.895 -1.314 -6.010 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -4.278 -2.515 -8.066 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -5.894 -2.991 -7.583 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -6.605 -0.579 -7.604 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -4.990 -0.111 -8.099 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -6.123 -0.204 -10.161 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -5.346 -1.774 -10.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -7.641 -1.958 -10.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -7.403 -2.731 -9.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -8.156 -1.210 -9.329 1.00 0.00 H new ATOM 493 N VAL A 29 -2.277 -3.678 -4.667 1.00 0.00 N ATOM 494 CA VAL A 29 -1.102 -3.705 -3.808 1.00 0.00 C ATOM 495 C VAL A 29 -0.083 -2.705 -4.353 1.00 0.00 C ATOM 496 O VAL A 29 0.253 -2.726 -5.544 1.00 0.00 O ATOM 497 CB VAL A 29 -0.522 -5.128 -3.681 1.00 0.00 C ATOM 498 CG1 VAL A 29 0.594 -5.149 -2.623 1.00 0.00 C ATOM 499 CG2 VAL A 29 -1.590 -6.166 -3.297 1.00 0.00 C ATOM 0 H VAL A 29 -2.137 -4.144 -5.564 1.00 0.00 H new ATOM 0 HA VAL A 29 -1.378 -3.412 -2.795 1.00 0.00 H new ATOM 0 HB VAL A 29 -0.127 -5.396 -4.661 1.00 0.00 H new ATOM 0 HG11 VAL A 29 0.998 -6.158 -2.540 1.00 0.00 H new ATOM 0 HG12 VAL A 29 1.388 -4.463 -2.918 1.00 0.00 H new ATOM 0 HG13 VAL A 29 0.188 -4.840 -1.660 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -1.129 -7.151 -3.221 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -2.031 -5.896 -2.337 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.368 -6.187 -4.060 1.00 0.00 H new ATOM 509 N TYR A 30 0.383 -1.820 -3.472 1.00 0.00 N ATOM 510 CA TYR A 30 1.309 -0.746 -3.789 1.00 0.00 C ATOM 511 C TYR A 30 2.593 -0.958 -2.995 1.00 0.00 C ATOM 512 O TYR A 30 2.531 -1.477 -1.878 1.00 0.00 O ATOM 513 CB TYR A 30 0.679 0.603 -3.435 1.00 0.00 C ATOM 514 CG TYR A 30 -0.693 0.818 -4.037 1.00 0.00 C ATOM 515 CD1 TYR A 30 -0.817 1.339 -5.334 1.00 0.00 C ATOM 516 CD2 TYR A 30 -1.839 0.395 -3.345 1.00 0.00 C ATOM 517 CE1 TYR A 30 -2.083 1.471 -5.931 1.00 0.00 C ATOM 518 CE2 TYR A 30 -3.101 0.542 -3.937 1.00 0.00 C ATOM 519 CZ TYR A 30 -3.233 1.123 -5.205 1.00 0.00 C ATOM 520 OH TYR A 30 -4.473 1.306 -5.740 1.00 0.00 O ATOM 0 H TYR A 30 0.115 -1.836 -2.488 1.00 0.00 H new ATOM 0 HA TYR A 30 1.536 -0.750 -4.855 1.00 0.00 H new ATOM 0 HB2 TYR A 30 0.606 0.685 -2.351 1.00 0.00 H new ATOM 0 HB3 TYR A 30 1.341 1.401 -3.771 1.00 0.00 H new ATOM 0 HD1 TYR A 30 0.066 1.641 -5.877 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -1.749 -0.042 -2.361 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -2.170 1.838 -6.943 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -3.981 0.204 -3.410 1.00 0.00 H new ATOM 0 HH TYR A 30 -5.153 1.009 -5.099 1.00 0.00 H new ATOM 530 N ASP A 31 3.728 -0.537 -3.564 1.00 0.00 N ATOM 531 CA ASP A 31 4.992 -0.443 -2.844 1.00 0.00 C ATOM 532 C ASP A 31 5.282 1.027 -2.599 1.00 0.00 C ATOM 533 O ASP A 31 5.271 1.821 -3.539 1.00 0.00 O ATOM 534 CB ASP A 31 6.154 -1.058 -3.629 1.00 0.00 C ATOM 535 CG ASP A 31 7.483 -0.829 -2.923 1.00 0.00 C ATOM 536 OD1 ASP A 31 7.457 -0.656 -1.684 1.00 0.00 O ATOM 537 OD2 ASP A 31 8.516 -0.811 -3.621 1.00 0.00 O ATOM 0 H ASP A 31 3.790 -0.252 -4.541 1.00 0.00 H new ATOM 0 HA ASP A 31 4.901 -0.998 -1.910 1.00 0.00 H new ATOM 0 HB2 ASP A 31 5.986 -2.128 -3.753 1.00 0.00 H new ATOM 0 HB3 ASP A 31 6.191 -0.623 -4.628 1.00 0.00 H new ATOM 542 N LEU A 32 5.542 1.382 -1.343 1.00 0.00 N ATOM 543 CA LEU A 32 5.884 2.730 -0.942 1.00 0.00 C ATOM 544 C LEU A 32 7.285 2.776 -0.328 1.00 0.00 C ATOM 545 O LEU A 32 7.634 3.746 0.342 1.00 0.00 O ATOM 546 CB LEU A 32 4.822 3.221 0.038 1.00 0.00 C ATOM 547 CG LEU A 32 3.397 3.104 -0.527 1.00 0.00 C ATOM 548 CD1 LEU A 32 2.472 3.643 0.546 1.00 0.00 C ATOM 549 CD2 LEU A 32 3.142 3.840 -1.852 1.00 0.00 C ATOM 0 H LEU A 32 5.518 0.722 -0.566 1.00 0.00 H new ATOM 0 HA LEU A 32 5.903 3.387 -1.811 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.891 2.646 0.961 1.00 0.00 H new ATOM 0 HB3 LEU A 32 5.023 4.261 0.295 1.00 0.00 H new ATOM 0 HG LEU A 32 3.224 2.056 -0.772 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.440 3.585 0.200 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.584 3.050 1.454 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.726 4.682 0.757 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.107 3.690 -2.158 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.331 4.905 -1.719 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.808 3.447 -2.620 1.00 0.00 H new ATOM 561 N THR A 33 8.115 1.761 -0.581 1.00 0.00 N ATOM 562 CA THR A 33 9.486 1.677 -0.101 1.00 0.00 C ATOM 563 C THR A 33 10.301 2.947 -0.364 1.00 0.00 C ATOM 564 O THR A 33 11.020 3.403 0.523 1.00 0.00 O ATOM 565 CB THR A 33 10.119 0.418 -0.702 1.00 0.00 C ATOM 566 OG1 THR A 33 9.497 -0.680 -0.073 1.00 0.00 O ATOM 567 CG2 THR A 33 11.627 0.333 -0.491 1.00 0.00 C ATOM 0 H THR A 33 7.839 0.955 -1.142 1.00 0.00 H new ATOM 0 HA THR A 33 9.482 1.598 0.986 1.00 0.00 H new ATOM 0 HB THR A 33 9.970 0.432 -1.782 1.00 0.00 H new ATOM 0 HG1 THR A 33 8.868 -1.100 -0.696 1.00 0.00 H new ATOM 0 HG21 THR A 33 12.006 -0.584 -0.943 1.00 0.00 H new ATOM 0 HG22 THR A 33 12.109 1.193 -0.956 1.00 0.00 H new ATOM 0 HG23 THR A 33 11.845 0.329 0.577 1.00 0.00 H new ATOM 575 N LYS A 34 10.203 3.526 -1.565 1.00 0.00 N ATOM 576 CA LYS A 34 10.873 4.782 -1.888 1.00 0.00 C ATOM 577 C LYS A 34 9.938 5.987 -1.752 1.00 0.00 C ATOM 578 O LYS A 34 10.272 7.067 -2.225 1.00 0.00 O ATOM 579 CB LYS A 34 11.462 4.699 -3.299 1.00 0.00 C ATOM 580 CG LYS A 34 12.619 3.691 -3.387 1.00 0.00 C ATOM 581 CD LYS A 34 13.820 4.280 -4.156 1.00 0.00 C ATOM 582 CE LYS A 34 14.922 4.749 -3.191 1.00 0.00 C ATOM 583 NZ LYS A 34 15.926 5.610 -3.856 1.00 0.00 N ATOM 0 H LYS A 34 9.659 3.137 -2.335 1.00 0.00 H new ATOM 0 HA LYS A 34 11.678 4.932 -1.169 1.00 0.00 H new ATOM 0 HB2 LYS A 34 10.679 4.413 -4.001 1.00 0.00 H new ATOM 0 HB3 LYS A 34 11.817 5.684 -3.601 1.00 0.00 H new ATOM 0 HG2 LYS A 34 12.932 3.406 -2.383 1.00 0.00 H new ATOM 0 HG3 LYS A 34 12.276 2.783 -3.884 1.00 0.00 H new ATOM 0 HD2 LYS A 34 14.223 3.530 -4.836 1.00 0.00 H new ATOM 0 HD3 LYS A 34 13.488 5.119 -4.768 1.00 0.00 H new ATOM 0 HE2 LYS A 34 14.469 5.296 -2.364 1.00 0.00 H new ATOM 0 HE3 LYS A 34 15.420 3.879 -2.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 16.647 5.900 -3.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 16.380 5.081 -4.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 15.458 6.454 -4.243 1.00 0.00 H new ATOM 597 N PHE A 35 8.784 5.815 -1.105 1.00 0.00 N ATOM 598 CA PHE A 35 7.800 6.867 -0.905 1.00 0.00 C ATOM 599 C PHE A 35 7.622 7.181 0.581 1.00 0.00 C ATOM 600 O PHE A 35 6.934 8.134 0.919 1.00 0.00 O ATOM 601 CB PHE A 35 6.487 6.460 -1.578 1.00 0.00 C ATOM 602 CG PHE A 35 5.369 7.482 -1.510 1.00 0.00 C ATOM 603 CD1 PHE A 35 5.544 8.772 -2.044 1.00 0.00 C ATOM 604 CD2 PHE A 35 4.154 7.147 -0.888 1.00 0.00 C ATOM 605 CE1 PHE A 35 4.495 9.705 -1.989 1.00 0.00 C ATOM 606 CE2 PHE A 35 3.094 8.060 -0.871 1.00 0.00 C ATOM 607 CZ PHE A 35 3.272 9.351 -1.394 1.00 0.00 C ATOM 0 H PHE A 35 8.507 4.921 -0.699 1.00 0.00 H new ATOM 0 HA PHE A 35 8.150 7.789 -1.369 1.00 0.00 H new ATOM 0 HB2 PHE A 35 6.690 6.240 -2.626 1.00 0.00 H new ATOM 0 HB3 PHE A 35 6.137 5.535 -1.120 1.00 0.00 H new ATOM 0 HD1 PHE A 35 6.486 9.045 -2.497 1.00 0.00 H new ATOM 0 HD2 PHE A 35 4.038 6.180 -0.421 1.00 0.00 H new ATOM 0 HE1 PHE A 35 4.628 10.693 -2.404 1.00 0.00 H new ATOM 0 HE2 PHE A 35 2.139 7.772 -0.456 1.00 0.00 H new ATOM 0 HZ PHE A 35 2.469 10.072 -1.339 1.00 0.00 H new ATOM 617 N LEU A 36 8.255 6.416 1.477 1.00 0.00 N ATOM 618 CA LEU A 36 8.145 6.598 2.914 1.00 0.00 C ATOM 619 C LEU A 36 8.349 8.064 3.311 1.00 0.00 C ATOM 620 O LEU A 36 7.427 8.714 3.793 1.00 0.00 O ATOM 621 CB LEU A 36 9.168 5.688 3.609 1.00 0.00 C ATOM 622 CG LEU A 36 8.761 4.213 3.731 1.00 0.00 C ATOM 623 CD1 LEU A 36 9.812 3.480 4.577 1.00 0.00 C ATOM 624 CD2 LEU A 36 7.368 4.049 4.356 1.00 0.00 C ATOM 0 H LEU A 36 8.866 5.643 1.212 1.00 0.00 H new ATOM 0 HA LEU A 36 7.139 6.324 3.233 1.00 0.00 H new ATOM 0 HB2 LEU A 36 10.109 5.744 3.062 1.00 0.00 H new ATOM 0 HB3 LEU A 36 9.357 6.079 4.609 1.00 0.00 H new ATOM 0 HG LEU A 36 8.713 3.784 2.730 1.00 0.00 H new ATOM 0 HD11 LEU A 36 9.535 2.430 4.672 1.00 0.00 H new ATOM 0 HD12 LEU A 36 10.786 3.556 4.093 1.00 0.00 H new ATOM 0 HD13 LEU A 36 9.862 3.933 5.567 1.00 0.00 H new ATOM 0 HD21 LEU A 36 7.122 2.989 4.423 1.00 0.00 H new ATOM 0 HD22 LEU A 36 7.363 4.486 5.354 1.00 0.00 H new ATOM 0 HD23 LEU A 36 6.629 4.555 3.735 1.00 0.00 H new ATOM 636 N GLU A 37 9.558 8.593 3.111 1.00 0.00 N ATOM 637 CA GLU A 37 9.847 9.975 3.466 1.00 0.00 C ATOM 638 C GLU A 37 9.128 10.941 2.516 1.00 0.00 C ATOM 639 O GLU A 37 8.576 11.945 2.961 1.00 0.00 O ATOM 640 CB GLU A 37 11.364 10.194 3.511 1.00 0.00 C ATOM 641 CG GLU A 37 11.715 11.609 3.984 1.00 0.00 C ATOM 642 CD GLU A 37 13.195 11.715 4.324 1.00 0.00 C ATOM 643 OE1 GLU A 37 13.984 11.863 3.368 1.00 0.00 O ATOM 644 OE2 GLU A 37 13.507 11.613 5.529 1.00 0.00 O ATOM 0 H GLU A 37 10.345 8.085 2.707 1.00 0.00 H new ATOM 0 HA GLU A 37 9.462 10.186 4.464 1.00 0.00 H new ATOM 0 HB2 GLU A 37 11.818 9.463 4.180 1.00 0.00 H new ATOM 0 HB3 GLU A 37 11.786 10.025 2.520 1.00 0.00 H new ATOM 0 HG2 GLU A 37 11.464 12.330 3.206 1.00 0.00 H new ATOM 0 HG3 GLU A 37 11.117 11.863 4.859 1.00 0.00 H new ATOM 651 N GLU A 38 9.126 10.638 1.211 1.00 0.00 N ATOM 652 CA GLU A 38 8.501 11.498 0.211 1.00 0.00 C ATOM 653 C GLU A 38 7.030 11.786 0.531 1.00 0.00 C ATOM 654 O GLU A 38 6.560 12.890 0.265 1.00 0.00 O ATOM 655 CB GLU A 38 8.621 10.889 -1.196 1.00 0.00 C ATOM 656 CG GLU A 38 9.788 11.435 -2.032 1.00 0.00 C ATOM 657 CD GLU A 38 9.367 11.575 -3.492 1.00 0.00 C ATOM 658 OE1 GLU A 38 9.200 10.517 -4.139 1.00 0.00 O ATOM 659 OE2 GLU A 38 9.178 12.733 -3.919 1.00 0.00 O ATOM 0 H GLU A 38 9.555 9.796 0.826 1.00 0.00 H new ATOM 0 HA GLU A 38 9.040 12.445 0.236 1.00 0.00 H new ATOM 0 HB2 GLU A 38 8.733 9.809 -1.102 1.00 0.00 H new ATOM 0 HB3 GLU A 38 7.691 11.067 -1.735 1.00 0.00 H new ATOM 0 HG2 GLU A 38 10.103 12.403 -1.642 1.00 0.00 H new ATOM 0 HG3 GLU A 38 10.645 10.766 -1.955 1.00 0.00 H new ATOM 666 N HIS A 39 6.296 10.797 1.051 1.00 0.00 N ATOM 667 CA HIS A 39 4.882 10.911 1.372 1.00 0.00 C ATOM 668 C HIS A 39 4.617 12.192 2.169 1.00 0.00 C ATOM 669 O HIS A 39 5.040 12.275 3.327 1.00 0.00 O ATOM 670 CB HIS A 39 4.418 9.670 2.142 1.00 0.00 C ATOM 671 CG HIS A 39 3.009 9.763 2.674 1.00 0.00 C ATOM 672 ND1 HIS A 39 2.676 9.855 4.000 1.00 0.00 N ATOM 673 CD2 HIS A 39 1.840 9.669 1.966 1.00 0.00 C ATOM 674 CE1 HIS A 39 1.336 9.805 4.086 1.00 0.00 C ATOM 675 NE2 HIS A 39 0.774 9.663 2.869 1.00 0.00 N ATOM 0 H HIS A 39 6.683 9.877 1.263 1.00 0.00 H new ATOM 0 HA HIS A 39 4.309 10.971 0.447 1.00 0.00 H new ATOM 0 HB2 HIS A 39 4.491 8.802 1.487 1.00 0.00 H new ATOM 0 HB3 HIS A 39 5.099 9.498 2.976 1.00 0.00 H new ATOM 0 HD1 HIS A 39 3.327 9.945 4.780 1.00 0.00 H new ATOM 0 HD2 HIS A 39 1.757 9.610 0.891 1.00 0.00 H new ATOM 0 HE1 HIS A 39 0.781 9.870 5.010 1.00 0.00 H new ATOM 683 N PRO A 40 3.918 13.182 1.584 1.00 0.00 N ATOM 684 CA PRO A 40 3.674 14.467 2.217 1.00 0.00 C ATOM 685 C PRO A 40 2.665 14.274 3.350 1.00 0.00 C ATOM 686 O PRO A 40 1.472 14.536 3.212 1.00 0.00 O ATOM 687 CB PRO A 40 3.199 15.401 1.101 1.00 0.00 C ATOM 688 CG PRO A 40 2.590 14.460 0.065 1.00 0.00 C ATOM 689 CD PRO A 40 3.345 13.147 0.246 1.00 0.00 C ATOM 0 HA PRO A 40 4.556 14.907 2.683 1.00 0.00 H new ATOM 0 HB2 PRO A 40 2.466 16.120 1.467 1.00 0.00 H new ATOM 0 HB3 PRO A 40 4.026 15.975 0.682 1.00 0.00 H new ATOM 0 HG2 PRO A 40 1.521 14.328 0.230 1.00 0.00 H new ATOM 0 HG3 PRO A 40 2.711 14.851 -0.945 1.00 0.00 H new ATOM 0 HD2 PRO A 40 2.675 12.295 0.133 1.00 0.00 H new ATOM 0 HD3 PRO A 40 4.125 13.041 -0.508 1.00 0.00 H new ATOM 697 N GLY A 41 3.175 13.768 4.471 1.00 0.00 N ATOM 698 CA GLY A 41 2.398 13.270 5.587 1.00 0.00 C ATOM 699 C GLY A 41 3.290 12.484 6.546 1.00 0.00 C ATOM 700 O GLY A 41 3.084 12.562 7.755 1.00 0.00 O ATOM 0 H GLY A 41 4.181 13.694 4.626 1.00 0.00 H new ATOM 0 HA2 GLY A 41 1.931 14.102 6.114 1.00 0.00 H new ATOM 0 HA3 GLY A 41 1.593 12.632 5.222 1.00 0.00 H new ATOM 704 N GLY A 42 4.284 11.741 6.033 1.00 0.00 N ATOM 705 CA GLY A 42 5.213 11.008 6.884 1.00 0.00 C ATOM 706 C GLY A 42 5.515 9.604 6.410 1.00 0.00 C ATOM 707 O GLY A 42 4.737 9.016 5.660 1.00 0.00 O ATOM 0 H GLY A 42 4.458 11.637 5.033 1.00 0.00 H new ATOM 0 HA2 GLY A 42 6.147 11.566 6.948 1.00 0.00 H new ATOM 0 HA3 GLY A 42 4.802 10.958 7.892 1.00 0.00 H new ATOM 711 N GLU A 43 6.603 9.057 6.958 1.00 0.00 N ATOM 712 CA GLU A 43 6.973 7.667 6.809 1.00 0.00 C ATOM 713 C GLU A 43 6.180 6.826 7.815 1.00 0.00 C ATOM 714 O GLU A 43 5.479 5.900 7.417 1.00 0.00 O ATOM 715 CB GLU A 43 8.499 7.546 7.021 1.00 0.00 C ATOM 716 CG GLU A 43 9.037 6.117 7.247 1.00 0.00 C ATOM 717 CD GLU A 43 9.026 5.631 8.694 1.00 0.00 C ATOM 718 OE1 GLU A 43 9.031 6.499 9.592 1.00 0.00 O ATOM 719 OE2 GLU A 43 9.020 4.392 8.867 1.00 0.00 O ATOM 0 H GLU A 43 7.259 9.590 7.529 1.00 0.00 H new ATOM 0 HA GLU A 43 6.735 7.296 5.812 1.00 0.00 H new ATOM 0 HB2 GLU A 43 9.002 7.969 6.151 1.00 0.00 H new ATOM 0 HB3 GLU A 43 8.777 8.158 7.879 1.00 0.00 H new ATOM 0 HG2 GLU A 43 8.446 5.426 6.646 1.00 0.00 H new ATOM 0 HG3 GLU A 43 10.060 6.070 6.874 1.00 0.00 H new ATOM 726 N GLU A 44 6.283 7.146 9.112 1.00 0.00 N ATOM 727 CA GLU A 44 5.757 6.305 10.189 1.00 0.00 C ATOM 728 C GLU A 44 4.294 5.954 9.933 1.00 0.00 C ATOM 729 O GLU A 44 3.923 4.784 9.952 1.00 0.00 O ATOM 730 CB GLU A 44 5.914 6.993 11.553 1.00 0.00 C ATOM 731 CG GLU A 44 5.559 6.047 12.714 1.00 0.00 C ATOM 732 CD GLU A 44 5.054 6.825 13.921 1.00 0.00 C ATOM 733 OE1 GLU A 44 3.839 7.120 13.927 1.00 0.00 O ATOM 734 OE2 GLU A 44 5.893 7.139 14.792 1.00 0.00 O ATOM 0 H GLU A 44 6.735 7.999 9.442 1.00 0.00 H new ATOM 0 HA GLU A 44 6.336 5.382 10.207 1.00 0.00 H new ATOM 0 HB2 GLU A 44 6.940 7.341 11.669 1.00 0.00 H new ATOM 0 HB3 GLU A 44 5.272 7.873 11.592 1.00 0.00 H new ATOM 0 HG2 GLU A 44 4.797 5.338 12.390 1.00 0.00 H new ATOM 0 HG3 GLU A 44 6.437 5.465 12.994 1.00 0.00 H new ATOM 741 N VAL A 45 3.473 6.966 9.639 1.00 0.00 N ATOM 742 CA VAL A 45 2.068 6.778 9.337 1.00 0.00 C ATOM 743 C VAL A 45 1.876 5.695 8.267 1.00 0.00 C ATOM 744 O VAL A 45 0.977 4.868 8.384 1.00 0.00 O ATOM 745 CB VAL A 45 1.417 8.127 8.982 1.00 0.00 C ATOM 746 CG1 VAL A 45 1.562 9.131 10.135 1.00 0.00 C ATOM 747 CG2 VAL A 45 1.964 8.765 7.700 1.00 0.00 C ATOM 0 H VAL A 45 3.774 7.940 9.606 1.00 0.00 H new ATOM 0 HA VAL A 45 1.550 6.409 10.222 1.00 0.00 H new ATOM 0 HB VAL A 45 0.366 7.894 8.808 1.00 0.00 H new ATOM 0 HG11 VAL A 45 1.093 10.075 9.857 1.00 0.00 H new ATOM 0 HG12 VAL A 45 1.077 8.734 11.027 1.00 0.00 H new ATOM 0 HG13 VAL A 45 2.619 9.298 10.341 1.00 0.00 H new ATOM 0 HG21 VAL A 45 1.455 9.712 7.519 1.00 0.00 H new ATOM 0 HG22 VAL A 45 3.034 8.943 7.810 1.00 0.00 H new ATOM 0 HG23 VAL A 45 1.793 8.094 6.858 1.00 0.00 H new ATOM 757 N LEU A 46 2.752 5.642 7.258 1.00 0.00 N ATOM 758 CA LEU A 46 2.736 4.569 6.278 1.00 0.00 C ATOM 759 C LEU A 46 3.222 3.260 6.882 1.00 0.00 C ATOM 760 O LEU A 46 2.607 2.208 6.697 1.00 0.00 O ATOM 761 CB LEU A 46 3.544 4.940 5.023 1.00 0.00 C ATOM 762 CG LEU A 46 2.677 5.553 3.920 1.00 0.00 C ATOM 763 CD1 LEU A 46 1.599 4.570 3.452 1.00 0.00 C ATOM 764 CD2 LEU A 46 1.971 6.806 4.404 1.00 0.00 C ATOM 0 H LEU A 46 3.482 6.338 7.105 1.00 0.00 H new ATOM 0 HA LEU A 46 1.701 4.425 5.969 1.00 0.00 H new ATOM 0 HB2 LEU A 46 4.328 5.646 5.297 1.00 0.00 H new ATOM 0 HB3 LEU A 46 4.038 4.048 4.637 1.00 0.00 H new ATOM 0 HG LEU A 46 3.351 5.795 3.099 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.999 5.034 2.669 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.073 3.669 3.061 1.00 0.00 H new ATOM 0 HD13 LEU A 46 0.957 4.307 4.293 1.00 0.00 H new ATOM 0 HD21 LEU A 46 1.364 7.216 3.597 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.330 6.559 5.250 1.00 0.00 H new ATOM 0 HD23 LEU A 46 2.711 7.544 4.713 1.00 0.00 H new ATOM 776 N ARG A 47 4.348 3.318 7.585 1.00 0.00 N ATOM 777 CA ARG A 47 5.004 2.137 8.105 1.00 0.00 C ATOM 778 C ARG A 47 4.261 1.488 9.279 1.00 0.00 C ATOM 779 O ARG A 47 4.639 0.392 9.697 1.00 0.00 O ATOM 780 CB ARG A 47 6.464 2.457 8.450 1.00 0.00 C ATOM 781 CG ARG A 47 7.365 1.344 7.903 1.00 0.00 C ATOM 782 CD ARG A 47 8.690 1.219 8.664 1.00 0.00 C ATOM 783 NE ARG A 47 8.957 -0.185 9.020 1.00 0.00 N ATOM 784 CZ ARG A 47 8.257 -0.871 9.937 1.00 0.00 C ATOM 785 NH1 ARG A 47 7.286 -0.259 10.624 1.00 0.00 N ATOM 786 NH2 ARG A 47 8.517 -2.166 10.151 1.00 0.00 N ATOM 0 H ARG A 47 4.828 4.190 7.808 1.00 0.00 H new ATOM 0 HA ARG A 47 4.986 1.385 7.316 1.00 0.00 H new ATOM 0 HB2 ARG A 47 6.750 3.417 8.021 1.00 0.00 H new ATOM 0 HB3 ARG A 47 6.585 2.542 9.530 1.00 0.00 H new ATOM 0 HG2 ARG A 47 6.832 0.395 7.954 1.00 0.00 H new ATOM 0 HG3 ARG A 47 7.573 1.537 6.851 1.00 0.00 H new ATOM 0 HD2 ARG A 47 9.505 1.605 8.051 1.00 0.00 H new ATOM 0 HD3 ARG A 47 8.655 1.828 9.567 1.00 0.00 H new ATOM 0 HE ARG A 47 9.719 -0.665 8.541 1.00 0.00 H new ATOM 0 HH11 ARG A 47 7.080 0.725 10.450 1.00 0.00 H new ATOM 0 HH12 ARG A 47 6.751 -0.776 11.322 1.00 0.00 H new ATOM 0 HH21 ARG A 47 9.249 -2.634 9.617 1.00 0.00 H new ATOM 0 HH22 ARG A 47 7.983 -2.685 10.849 1.00 0.00 H new ATOM 800 N GLU A 48 3.243 2.161 9.817 1.00 0.00 N ATOM 801 CA GLU A 48 2.460 1.737 10.967 1.00 0.00 C ATOM 802 C GLU A 48 1.853 0.354 10.734 1.00 0.00 C ATOM 803 O GLU A 48 2.109 -0.587 11.481 1.00 0.00 O ATOM 804 CB GLU A 48 1.374 2.794 11.264 1.00 0.00 C ATOM 805 CG GLU A 48 1.559 3.446 12.637 1.00 0.00 C ATOM 806 CD GLU A 48 1.341 2.444 13.764 1.00 0.00 C ATOM 807 OE1 GLU A 48 0.156 2.165 14.043 1.00 0.00 O ATOM 808 OE2 GLU A 48 2.358 1.952 14.298 1.00 0.00 O ATOM 0 H GLU A 48 2.932 3.057 9.442 1.00 0.00 H new ATOM 0 HA GLU A 48 3.111 1.655 11.837 1.00 0.00 H new ATOM 0 HB2 GLU A 48 1.398 3.564 10.492 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.391 2.325 11.216 1.00 0.00 H new ATOM 0 HG2 GLU A 48 2.563 3.865 12.710 1.00 0.00 H new ATOM 0 HG3 GLU A 48 0.859 4.275 12.745 1.00 0.00 H new ATOM 815 N GLN A 49 1.056 0.235 9.670 1.00 0.00 N ATOM 816 CA GLN A 49 0.463 -1.032 9.286 1.00 0.00 C ATOM 817 C GLN A 49 1.477 -1.747 8.402 1.00 0.00 C ATOM 818 O GLN A 49 2.091 -2.733 8.810 1.00 0.00 O ATOM 819 CB GLN A 49 -0.881 -0.792 8.577 1.00 0.00 C ATOM 820 CG GLN A 49 -1.982 -0.372 9.559 1.00 0.00 C ATOM 821 CD GLN A 49 -2.612 0.980 9.235 1.00 0.00 C ATOM 822 OE1 GLN A 49 -3.815 1.097 9.047 1.00 0.00 O ATOM 823 NE2 GLN A 49 -1.809 2.037 9.164 1.00 0.00 N ATOM 0 H GLN A 49 0.809 1.013 9.059 1.00 0.00 H new ATOM 0 HA GLN A 49 0.239 -1.656 10.151 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -0.758 -0.019 7.818 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -1.185 -1.702 8.059 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -2.761 -1.134 9.564 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -1.564 -0.336 10.565 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -0.807 1.928 9.323 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -2.195 2.957 8.951 1.00 0.00 H new ATOM 832 N ALA A 50 1.669 -1.198 7.199 1.00 0.00 N ATOM 833 CA ALA A 50 2.453 -1.797 6.131 1.00 0.00 C ATOM 834 C ALA A 50 1.986 -3.220 5.787 1.00 0.00 C ATOM 835 O ALA A 50 1.060 -3.766 6.386 1.00 0.00 O ATOM 836 CB ALA A 50 3.942 -1.733 6.482 1.00 0.00 C ATOM 0 H ALA A 50 1.268 -0.297 6.940 1.00 0.00 H new ATOM 0 HA ALA A 50 2.294 -1.217 5.222 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.525 -2.183 5.678 1.00 0.00 H new ATOM 0 HB2 ALA A 50 4.242 -0.693 6.609 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.121 -2.278 7.409 1.00 0.00 H new ATOM 842 N GLY A 51 2.608 -3.817 4.772 1.00 0.00 N ATOM 843 CA GLY A 51 2.218 -5.103 4.226 1.00 0.00 C ATOM 844 C GLY A 51 0.918 -4.942 3.453 1.00 0.00 C ATOM 845 O GLY A 51 0.916 -4.917 2.224 1.00 0.00 O ATOM 0 H GLY A 51 3.414 -3.406 4.300 1.00 0.00 H new ATOM 0 HA2 GLY A 51 3.000 -5.486 3.571 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.091 -5.829 5.029 1.00 0.00 H new ATOM 849 N GLY A 52 -0.187 -4.801 4.183 1.00 0.00 N ATOM 850 CA GLY A 52 -1.518 -4.669 3.632 1.00 0.00 C ATOM 851 C GLY A 52 -2.371 -3.788 4.528 1.00 0.00 C ATOM 852 O GLY A 52 -1.875 -2.799 5.064 1.00 0.00 O ATOM 0 H GLY A 52 -0.171 -4.776 5.203 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -1.465 -4.239 2.632 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -1.978 -5.652 3.532 1.00 0.00 H new ATOM 856 N ASP A 53 -3.647 -4.157 4.641 1.00 0.00 N ATOM 857 CA ASP A 53 -4.685 -3.625 5.502 1.00 0.00 C ATOM 858 C ASP A 53 -4.476 -2.156 5.877 1.00 0.00 C ATOM 859 O ASP A 53 -4.406 -1.814 7.053 1.00 0.00 O ATOM 860 CB ASP A 53 -4.866 -4.574 6.705 1.00 0.00 C ATOM 861 CG ASP A 53 -4.984 -6.058 6.332 1.00 0.00 C ATOM 862 OD1 ASP A 53 -4.982 -6.358 5.114 1.00 0.00 O ATOM 863 OD2 ASP A 53 -5.001 -6.883 7.273 1.00 0.00 O ATOM 0 H ASP A 53 -4.010 -4.918 4.067 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.625 -3.597 4.951 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -4.020 -4.448 7.381 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -5.760 -4.278 7.254 1.00 0.00 H new ATOM 868 N ALA A 54 -4.385 -1.283 4.863 1.00 0.00 N ATOM 869 CA ALA A 54 -4.204 0.146 5.050 1.00 0.00 C ATOM 870 C ALA A 54 -5.334 0.930 4.378 1.00 0.00 C ATOM 871 O ALA A 54 -5.369 2.155 4.485 1.00 0.00 O ATOM 872 CB ALA A 54 -2.834 0.524 4.491 1.00 0.00 C ATOM 0 H ALA A 54 -4.437 -1.562 3.883 1.00 0.00 H new ATOM 0 HA ALA A 54 -4.243 0.400 6.109 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -2.672 1.594 4.619 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -2.059 -0.027 5.024 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -2.792 0.275 3.431 1.00 0.00 H new ATOM 878 N THR A 55 -6.264 0.243 3.693 1.00 0.00 N ATOM 879 CA THR A 55 -7.427 0.879 3.087 1.00 0.00 C ATOM 880 C THR A 55 -8.198 1.661 4.156 1.00 0.00 C ATOM 881 O THR A 55 -8.450 2.849 3.970 1.00 0.00 O ATOM 882 CB THR A 55 -8.324 -0.155 2.379 1.00 0.00 C ATOM 883 OG1 THR A 55 -7.629 -0.830 1.339 1.00 0.00 O ATOM 884 CG2 THR A 55 -9.526 0.546 1.737 1.00 0.00 C ATOM 0 H THR A 55 -6.223 -0.766 3.549 1.00 0.00 H new ATOM 0 HA THR A 55 -7.091 1.578 2.321 1.00 0.00 H new ATOM 0 HB THR A 55 -8.638 -0.872 3.137 1.00 0.00 H new ATOM 0 HG1 THR A 55 -6.704 -0.994 1.617 1.00 0.00 H new ATOM 0 HG21 THR A 55 -10.154 -0.192 1.239 1.00 0.00 H new ATOM 0 HG22 THR A 55 -10.105 1.055 2.508 1.00 0.00 H new ATOM 0 HG23 THR A 55 -9.175 1.275 1.007 1.00 0.00 H new ATOM 892 N GLU A 56 -8.537 1.001 5.271 1.00 0.00 N ATOM 893 CA GLU A 56 -9.233 1.610 6.398 1.00 0.00 C ATOM 894 C GLU A 56 -8.586 2.946 6.769 1.00 0.00 C ATOM 895 O GLU A 56 -9.254 3.971 6.779 1.00 0.00 O ATOM 896 CB GLU A 56 -9.244 0.635 7.586 1.00 0.00 C ATOM 897 CG GLU A 56 -10.242 -0.516 7.374 1.00 0.00 C ATOM 898 CD GLU A 56 -11.691 -0.091 7.606 1.00 0.00 C ATOM 899 OE1 GLU A 56 -11.952 0.521 8.665 1.00 0.00 O ATOM 900 OE2 GLU A 56 -12.516 -0.375 6.710 1.00 0.00 O ATOM 0 H GLU A 56 -8.329 0.012 5.412 1.00 0.00 H new ATOM 0 HA GLU A 56 -10.266 1.817 6.118 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -8.244 0.226 7.730 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -9.501 1.176 8.497 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -10.138 -0.899 6.359 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -9.995 -1.335 8.050 1.00 0.00 H new ATOM 907 N ASN A 57 -7.276 2.951 7.020 1.00 0.00 N ATOM 908 CA ASN A 57 -6.549 4.157 7.416 1.00 0.00 C ATOM 909 C ASN A 57 -6.599 5.219 6.313 1.00 0.00 C ATOM 910 O ASN A 57 -6.945 6.381 6.533 1.00 0.00 O ATOM 911 CB ASN A 57 -5.096 3.789 7.739 1.00 0.00 C ATOM 912 CG ASN A 57 -4.650 4.402 9.060 1.00 0.00 C ATOM 913 OD1 ASN A 57 -4.377 5.595 9.136 1.00 0.00 O ATOM 914 ND2 ASN A 57 -4.552 3.590 10.106 1.00 0.00 N ATOM 0 H ASN A 57 -6.690 2.119 6.954 1.00 0.00 H new ATOM 0 HA ASN A 57 -7.024 4.579 8.302 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -4.995 2.705 7.787 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -4.444 4.135 6.937 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -4.242 3.954 11.007 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -4.787 2.602 10.009 1.00 0.00 H new ATOM 921 N PHE A 58 -6.232 4.803 5.101 1.00 0.00 N ATOM 922 CA PHE A 58 -6.214 5.659 3.926 1.00 0.00 C ATOM 923 C PHE A 58 -7.559 6.373 3.715 1.00 0.00 C ATOM 924 O PHE A 58 -7.554 7.577 3.444 1.00 0.00 O ATOM 925 CB PHE A 58 -5.771 4.818 2.725 1.00 0.00 C ATOM 926 CG PHE A 58 -6.075 5.404 1.366 1.00 0.00 C ATOM 927 CD1 PHE A 58 -5.222 6.355 0.776 1.00 0.00 C ATOM 928 CD2 PHE A 58 -7.210 4.957 0.671 1.00 0.00 C ATOM 929 CE1 PHE A 58 -5.560 6.919 -0.466 1.00 0.00 C ATOM 930 CE2 PHE A 58 -7.583 5.565 -0.535 1.00 0.00 C ATOM 931 CZ PHE A 58 -6.763 6.558 -1.097 1.00 0.00 C ATOM 0 H PHE A 58 -5.935 3.846 4.910 1.00 0.00 H new ATOM 0 HA PHE A 58 -5.496 6.468 4.062 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -4.696 4.654 2.797 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -6.248 3.840 2.794 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -4.311 6.650 1.276 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -7.797 4.142 1.067 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -4.896 7.629 -0.935 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -8.497 5.272 -1.030 1.00 0.00 H new ATOM 0 HZ PHE A 58 -7.057 7.045 -2.015 1.00 0.00 H new ATOM 941 N GLU A 59 -8.684 5.656 3.851 1.00 0.00 N ATOM 942 CA GLU A 59 -10.036 6.190 3.670 1.00 0.00 C ATOM 943 C GLU A 59 -10.573 6.887 4.925 1.00 0.00 C ATOM 944 O GLU A 59 -11.366 7.815 4.800 1.00 0.00 O ATOM 945 CB GLU A 59 -11.017 5.096 3.226 1.00 0.00 C ATOM 946 CG GLU A 59 -10.932 4.792 1.725 1.00 0.00 C ATOM 947 CD GLU A 59 -11.475 5.895 0.813 1.00 0.00 C ATOM 948 OE1 GLU A 59 -12.645 6.287 1.006 1.00 0.00 O ATOM 949 OE2 GLU A 59 -10.743 6.314 -0.115 1.00 0.00 O ATOM 0 H GLU A 59 -8.676 4.666 4.096 1.00 0.00 H new ATOM 0 HA GLU A 59 -9.956 6.940 2.883 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -10.815 4.184 3.788 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -12.033 5.404 3.472 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -9.890 4.606 1.465 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -11.480 3.872 1.524 1.00 0.00 H new ATOM 956 N ASP A 60 -10.156 6.466 6.124 1.00 0.00 N ATOM 957 CA ASP A 60 -10.430 7.196 7.360 1.00 0.00 C ATOM 958 C ASP A 60 -10.000 8.651 7.167 1.00 0.00 C ATOM 959 O ASP A 60 -10.775 9.579 7.395 1.00 0.00 O ATOM 960 CB ASP A 60 -9.697 6.540 8.537 1.00 0.00 C ATOM 961 CG ASP A 60 -9.716 7.424 9.776 1.00 0.00 C ATOM 962 OD1 ASP A 60 -10.704 7.326 10.535 1.00 0.00 O ATOM 963 OD2 ASP A 60 -8.739 8.185 9.939 1.00 0.00 O ATOM 0 H ASP A 60 -9.619 5.610 6.262 1.00 0.00 H new ATOM 0 HA ASP A 60 -11.495 7.169 7.590 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -10.162 5.582 8.767 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -8.665 6.333 8.253 1.00 0.00 H new ATOM 968 N VAL A 61 -8.784 8.833 6.647 1.00 0.00 N ATOM 969 CA VAL A 61 -8.313 10.136 6.200 1.00 0.00 C ATOM 970 C VAL A 61 -9.044 10.577 4.921 1.00 0.00 C ATOM 971 O VAL A 61 -9.400 11.745 4.780 1.00 0.00 O ATOM 972 CB VAL A 61 -6.785 10.090 6.044 1.00 0.00 C ATOM 973 CG1 VAL A 61 -6.252 11.352 5.356 1.00 0.00 C ATOM 974 CG2 VAL A 61 -6.136 9.955 7.428 1.00 0.00 C ATOM 0 H VAL A 61 -8.105 8.082 6.526 1.00 0.00 H new ATOM 0 HA VAL A 61 -8.546 10.896 6.946 1.00 0.00 H new ATOM 0 HB VAL A 61 -6.534 9.231 5.422 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -5.168 11.285 5.262 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -6.697 11.442 4.365 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -6.511 12.228 5.951 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -5.052 9.922 7.320 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -6.413 10.810 8.045 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -6.481 9.037 7.904 1.00 0.00 H new ATOM 984 N GLY A 62 -9.239 9.670 3.962 1.00 0.00 N ATOM 985 CA GLY A 62 -9.983 9.921 2.731 1.00 0.00 C ATOM 986 C GLY A 62 -9.028 10.139 1.564 1.00 0.00 C ATOM 987 O GLY A 62 -9.157 9.495 0.525 1.00 0.00 O ATOM 0 H GLY A 62 -8.875 8.719 4.023 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -10.640 9.078 2.518 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -10.619 10.797 2.856 1.00 0.00 H new ATOM 991 N HIS A 63 -8.072 11.056 1.759 1.00 0.00 N ATOM 992 CA HIS A 63 -7.094 11.502 0.770 1.00 0.00 C ATOM 993 C HIS A 63 -7.734 12.250 -0.408 1.00 0.00 C ATOM 994 O HIS A 63 -8.905 12.070 -0.740 1.00 0.00 O ATOM 995 CB HIS A 63 -6.216 10.345 0.262 1.00 0.00 C ATOM 996 CG HIS A 63 -5.150 9.894 1.224 1.00 0.00 C ATOM 997 ND1 HIS A 63 -5.327 9.159 2.375 1.00 0.00 N ATOM 998 CD2 HIS A 63 -3.808 10.107 1.063 1.00 0.00 C ATOM 999 CE1 HIS A 63 -4.102 8.964 2.902 1.00 0.00 C ATOM 1000 NE2 HIS A 63 -3.136 9.509 2.129 1.00 0.00 N ATOM 0 H HIS A 63 -7.958 11.528 2.656 1.00 0.00 H new ATOM 0 HA HIS A 63 -6.452 12.211 1.293 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -6.858 9.496 0.028 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -5.740 10.651 -0.670 1.00 0.00 H new ATOM 0 HD1 HIS A 63 -6.213 8.827 2.755 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -3.347 10.647 0.249 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -3.915 8.438 3.827 1.00 0.00 H new ATOM 1008 N SER A 64 -6.943 13.107 -1.057 1.00 0.00 N ATOM 1009 CA SER A 64 -7.340 13.807 -2.267 1.00 0.00 C ATOM 1010 C SER A 64 -7.295 12.876 -3.478 1.00 0.00 C ATOM 1011 O SER A 64 -6.599 11.860 -3.482 1.00 0.00 O ATOM 1012 CB SER A 64 -6.386 14.983 -2.490 1.00 0.00 C ATOM 1013 OG SER A 64 -6.206 15.682 -1.278 1.00 0.00 O ATOM 0 H SER A 64 -5.998 13.333 -0.748 1.00 0.00 H new ATOM 0 HA SER A 64 -8.363 14.164 -2.150 1.00 0.00 H new ATOM 0 HB2 SER A 64 -5.426 14.621 -2.859 1.00 0.00 H new ATOM 0 HB3 SER A 64 -6.788 15.652 -3.251 1.00 0.00 H new ATOM 0 HG SER A 64 -5.594 16.434 -1.422 1.00 0.00 H new ATOM 1019 N THR A 65 -7.994 13.264 -4.543 1.00 0.00 N ATOM 1020 CA THR A 65 -8.013 12.541 -5.805 1.00 0.00 C ATOM 1021 C THR A 65 -6.601 12.326 -6.354 1.00 0.00 C ATOM 1022 O THR A 65 -6.260 11.213 -6.757 1.00 0.00 O ATOM 1023 CB THR A 65 -8.930 13.290 -6.777 1.00 0.00 C ATOM 1024 OG1 THR A 65 -10.188 13.432 -6.145 1.00 0.00 O ATOM 1025 CG2 THR A 65 -9.097 12.534 -8.099 1.00 0.00 C ATOM 0 H THR A 65 -8.572 14.105 -4.549 1.00 0.00 H new ATOM 0 HA THR A 65 -8.413 11.538 -5.656 1.00 0.00 H new ATOM 0 HB THR A 65 -8.491 14.259 -7.017 1.00 0.00 H new ATOM 0 HG1 THR A 65 -10.801 13.911 -6.741 1.00 0.00 H new ATOM 0 HG21 THR A 65 -9.754 13.098 -8.760 1.00 0.00 H new ATOM 0 HG22 THR A 65 -8.123 12.411 -8.573 1.00 0.00 H new ATOM 0 HG23 THR A 65 -9.532 11.554 -7.905 1.00 0.00 H new ATOM 1033 N ASP A 66 -5.764 13.365 -6.336 1.00 0.00 N ATOM 1034 CA ASP A 66 -4.378 13.280 -6.777 1.00 0.00 C ATOM 1035 C ASP A 66 -3.674 12.073 -6.172 1.00 0.00 C ATOM 1036 O ASP A 66 -3.016 11.324 -6.884 1.00 0.00 O ATOM 1037 CB ASP A 66 -3.634 14.565 -6.413 1.00 0.00 C ATOM 1038 CG ASP A 66 -4.152 15.718 -7.252 1.00 0.00 C ATOM 1039 OD1 ASP A 66 -5.249 16.198 -6.892 1.00 0.00 O ATOM 1040 OD2 ASP A 66 -3.475 16.050 -8.248 1.00 0.00 O ATOM 0 H ASP A 66 -6.035 14.294 -6.012 1.00 0.00 H new ATOM 0 HA ASP A 66 -4.375 13.157 -7.860 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -3.768 14.786 -5.354 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -2.564 14.435 -6.578 1.00 0.00 H new ATOM 1045 N ALA A 67 -3.835 11.857 -4.864 1.00 0.00 N ATOM 1046 CA ALA A 67 -3.254 10.706 -4.188 1.00 0.00 C ATOM 1047 C ALA A 67 -3.708 9.395 -4.833 1.00 0.00 C ATOM 1048 O ALA A 67 -2.896 8.490 -5.010 1.00 0.00 O ATOM 1049 CB ALA A 67 -3.609 10.724 -2.702 1.00 0.00 C ATOM 0 H ALA A 67 -4.369 12.474 -4.252 1.00 0.00 H new ATOM 0 HA ALA A 67 -2.171 10.770 -4.289 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -3.167 9.857 -2.212 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -3.221 11.635 -2.246 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -4.692 10.693 -2.586 1.00 0.00 H new ATOM 1055 N ARG A 68 -4.991 9.277 -5.196 1.00 0.00 N ATOM 1056 CA ARG A 68 -5.531 8.073 -5.821 1.00 0.00 C ATOM 1057 C ARG A 68 -4.842 7.807 -7.160 1.00 0.00 C ATOM 1058 O ARG A 68 -4.497 6.667 -7.473 1.00 0.00 O ATOM 1059 CB ARG A 68 -7.056 8.177 -5.991 1.00 0.00 C ATOM 1060 CG ARG A 68 -7.745 8.200 -4.622 1.00 0.00 C ATOM 1061 CD ARG A 68 -9.264 8.383 -4.733 1.00 0.00 C ATOM 1062 NE ARG A 68 -9.941 8.081 -3.454 1.00 0.00 N ATOM 1063 CZ ARG A 68 -11.274 8.059 -3.280 1.00 0.00 C ATOM 1064 NH1 ARG A 68 -12.069 8.477 -4.274 1.00 0.00 N ATOM 1065 NH2 ARG A 68 -11.810 7.615 -2.140 1.00 0.00 N ATOM 0 H ARG A 68 -5.681 10.016 -5.063 1.00 0.00 H new ATOM 0 HA ARG A 68 -5.329 7.227 -5.164 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -7.306 9.081 -6.546 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -7.422 7.333 -6.575 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -7.532 7.270 -4.096 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -7.328 9.009 -4.022 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -9.487 9.407 -5.031 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -9.654 7.731 -5.515 1.00 0.00 H new ATOM 0 HE ARG A 68 -9.355 7.874 -2.645 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -11.661 8.806 -5.149 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -13.082 8.466 -4.156 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -11.206 7.286 -1.386 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -12.823 7.604 -2.023 1.00 0.00 H new ATOM 1079 N GLU A 69 -4.622 8.855 -7.954 1.00 0.00 N ATOM 1080 CA GLU A 69 -3.884 8.713 -9.199 1.00 0.00 C ATOM 1081 C GLU A 69 -2.411 8.389 -8.906 1.00 0.00 C ATOM 1082 O GLU A 69 -1.837 7.486 -9.510 1.00 0.00 O ATOM 1083 CB GLU A 69 -4.072 9.965 -10.066 1.00 0.00 C ATOM 1084 CG GLU A 69 -5.537 10.139 -10.503 1.00 0.00 C ATOM 1085 CD GLU A 69 -5.959 9.125 -11.559 1.00 0.00 C ATOM 1086 OE1 GLU A 69 -6.405 8.026 -11.154 1.00 0.00 O ATOM 1087 OE2 GLU A 69 -5.816 9.440 -12.757 1.00 0.00 O ATOM 0 H GLU A 69 -4.943 9.802 -7.755 1.00 0.00 H new ATOM 0 HA GLU A 69 -4.276 7.874 -9.774 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -3.751 10.845 -9.509 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -3.435 9.896 -10.948 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -6.186 10.042 -9.632 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -5.678 11.146 -10.895 1.00 0.00 H new ATOM 1094 N LEU A 70 -1.805 9.069 -7.932 1.00 0.00 N ATOM 1095 CA LEU A 70 -0.431 8.818 -7.515 1.00 0.00 C ATOM 1096 C LEU A 70 -0.261 7.361 -7.075 1.00 0.00 C ATOM 1097 O LEU A 70 0.768 6.746 -7.346 1.00 0.00 O ATOM 1098 CB LEU A 70 -0.028 9.796 -6.399 1.00 0.00 C ATOM 1099 CG LEU A 70 1.483 10.073 -6.373 1.00 0.00 C ATOM 1100 CD1 LEU A 70 1.883 11.021 -7.513 1.00 0.00 C ATOM 1101 CD2 LEU A 70 1.871 10.723 -5.039 1.00 0.00 C ATOM 0 H LEU A 70 -2.261 9.816 -7.408 1.00 0.00 H new ATOM 0 HA LEU A 70 0.233 8.985 -8.363 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -0.564 10.736 -6.534 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -0.336 9.389 -5.436 1.00 0.00 H new ATOM 0 HG LEU A 70 2.002 9.122 -6.495 1.00 0.00 H new ATOM 0 HD11 LEU A 70 2.957 11.203 -7.475 1.00 0.00 H new ATOM 0 HD12 LEU A 70 1.625 10.568 -8.470 1.00 0.00 H new ATOM 0 HD13 LEU A 70 1.351 11.966 -7.404 1.00 0.00 H new ATOM 0 HD21 LEU A 70 2.944 10.917 -5.027 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.331 11.663 -4.921 1.00 0.00 H new ATOM 0 HD23 LEU A 70 1.614 10.052 -4.219 1.00 0.00 H new ATOM 1113 N SER A 71 -1.286 6.787 -6.437 1.00 0.00 N ATOM 1114 CA SER A 71 -1.302 5.374 -6.091 1.00 0.00 C ATOM 1115 C SER A 71 -0.972 4.534 -7.325 1.00 0.00 C ATOM 1116 O SER A 71 -0.155 3.624 -7.243 1.00 0.00 O ATOM 1117 CB SER A 71 -2.649 4.936 -5.499 1.00 0.00 C ATOM 1118 OG SER A 71 -3.124 5.814 -4.500 1.00 0.00 O ATOM 0 H SER A 71 -2.123 7.293 -6.149 1.00 0.00 H new ATOM 0 HA SER A 71 -0.545 5.215 -5.323 1.00 0.00 H new ATOM 0 HB2 SER A 71 -3.387 4.871 -6.298 1.00 0.00 H new ATOM 0 HB3 SER A 71 -2.546 3.936 -5.077 1.00 0.00 H new ATOM 0 HG SER A 71 -3.139 6.730 -4.849 1.00 0.00 H new ATOM 1124 N LYS A 72 -1.570 4.846 -8.482 1.00 0.00 N ATOM 1125 CA LYS A 72 -1.301 4.098 -9.706 1.00 0.00 C ATOM 1126 C LYS A 72 0.204 4.063 -9.997 1.00 0.00 C ATOM 1127 O LYS A 72 0.752 3.007 -10.283 1.00 0.00 O ATOM 1128 CB LYS A 72 -2.089 4.652 -10.907 1.00 0.00 C ATOM 1129 CG LYS A 72 -3.064 3.630 -11.519 1.00 0.00 C ATOM 1130 CD LYS A 72 -4.478 3.814 -10.950 1.00 0.00 C ATOM 1131 CE LYS A 72 -5.162 5.004 -11.647 1.00 0.00 C ATOM 1132 NZ LYS A 72 -6.340 5.498 -10.913 1.00 0.00 N ATOM 0 H LYS A 72 -2.239 5.608 -8.591 1.00 0.00 H new ATOM 0 HA LYS A 72 -1.644 3.076 -9.548 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -2.648 5.533 -10.591 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -1.387 4.978 -11.674 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -3.086 3.746 -12.603 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -2.714 2.619 -11.313 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -5.063 2.906 -11.100 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -4.429 3.988 -9.875 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -4.443 5.816 -11.758 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -5.464 4.706 -12.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -7.180 5.434 -11.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -6.486 4.920 -10.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -6.187 6.489 -10.637 1.00 0.00 H new ATOM 1146 N THR A 73 0.896 5.195 -9.877 1.00 0.00 N ATOM 1147 CA THR A 73 2.339 5.255 -10.059 1.00 0.00 C ATOM 1148 C THR A 73 3.099 4.317 -9.102 1.00 0.00 C ATOM 1149 O THR A 73 4.212 3.906 -9.425 1.00 0.00 O ATOM 1150 CB THR A 73 2.773 6.729 -9.975 1.00 0.00 C ATOM 1151 OG1 THR A 73 2.473 7.361 -11.204 1.00 0.00 O ATOM 1152 CG2 THR A 73 4.249 6.932 -9.650 1.00 0.00 C ATOM 0 H THR A 73 0.469 6.094 -9.651 1.00 0.00 H new ATOM 0 HA THR A 73 2.605 4.876 -11.046 1.00 0.00 H new ATOM 0 HB THR A 73 2.220 7.170 -9.146 1.00 0.00 H new ATOM 0 HG1 THR A 73 2.743 8.302 -11.163 1.00 0.00 H new ATOM 0 HG21 THR A 73 4.469 7.999 -9.610 1.00 0.00 H new ATOM 0 HG22 THR A 73 4.475 6.478 -8.685 1.00 0.00 H new ATOM 0 HG23 THR A 73 4.859 6.464 -10.422 1.00 0.00 H new ATOM 1160 N TYR A 74 2.516 3.948 -7.957 1.00 0.00 N ATOM 1161 CA TYR A 74 3.130 3.040 -6.992 1.00 0.00 C ATOM 1162 C TYR A 74 2.561 1.623 -7.086 1.00 0.00 C ATOM 1163 O TYR A 74 2.890 0.764 -6.264 1.00 0.00 O ATOM 1164 CB TYR A 74 2.917 3.599 -5.584 1.00 0.00 C ATOM 1165 CG TYR A 74 3.689 4.872 -5.296 1.00 0.00 C ATOM 1166 CD1 TYR A 74 5.095 4.869 -5.363 1.00 0.00 C ATOM 1167 CD2 TYR A 74 3.008 6.069 -5.005 1.00 0.00 C ATOM 1168 CE1 TYR A 74 5.809 6.076 -5.261 1.00 0.00 C ATOM 1169 CE2 TYR A 74 3.728 7.266 -4.854 1.00 0.00 C ATOM 1170 CZ TYR A 74 5.121 7.280 -5.036 1.00 0.00 C ATOM 1171 OH TYR A 74 5.785 8.469 -5.042 1.00 0.00 O ATOM 0 H TYR A 74 1.593 4.277 -7.674 1.00 0.00 H new ATOM 0 HA TYR A 74 4.194 2.970 -7.218 1.00 0.00 H new ATOM 0 HB2 TYR A 74 1.854 3.792 -5.439 1.00 0.00 H new ATOM 0 HB3 TYR A 74 3.206 2.840 -4.857 1.00 0.00 H new ATOM 0 HD1 TYR A 74 5.626 3.938 -5.493 1.00 0.00 H new ATOM 0 HD2 TYR A 74 1.933 6.067 -4.898 1.00 0.00 H new ATOM 0 HE1 TYR A 74 6.885 6.077 -5.355 1.00 0.00 H new ATOM 0 HE2 TYR A 74 3.209 8.178 -4.597 1.00 0.00 H new ATOM 0 HH TYR A 74 5.726 8.881 -4.155 1.00 0.00 H new ATOM 1181 N ILE A 75 1.684 1.375 -8.061 1.00 0.00 N ATOM 1182 CA ILE A 75 1.005 0.103 -8.219 1.00 0.00 C ATOM 1183 C ILE A 75 2.025 -0.964 -8.590 1.00 0.00 C ATOM 1184 O ILE A 75 2.547 -0.996 -9.704 1.00 0.00 O ATOM 1185 CB ILE A 75 -0.163 0.253 -9.209 1.00 0.00 C ATOM 1186 CG1 ILE A 75 -1.256 -0.784 -8.918 1.00 0.00 C ATOM 1187 CG2 ILE A 75 0.236 0.181 -10.696 1.00 0.00 C ATOM 1188 CD1 ILE A 75 -2.553 -0.382 -9.616 1.00 0.00 C ATOM 0 H ILE A 75 1.428 2.065 -8.767 1.00 0.00 H new ATOM 0 HA ILE A 75 0.550 -0.225 -7.285 1.00 0.00 H new ATOM 0 HB ILE A 75 -0.540 1.263 -9.047 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -0.937 -1.768 -9.263 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -1.420 -0.861 -7.843 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -0.652 0.297 -11.317 1.00 0.00 H new ATOM 0 HG22 ILE A 75 0.943 0.979 -10.922 1.00 0.00 H new ATOM 0 HG23 ILE A 75 0.700 -0.784 -10.902 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -3.324 -1.123 -9.405 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -2.876 0.593 -9.250 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -2.386 -0.329 -10.692 1.00 0.00 H new ATOM 1200 N ILE A 76 2.329 -1.849 -7.646 1.00 0.00 N ATOM 1201 CA ILE A 76 3.171 -2.976 -7.974 1.00 0.00 C ATOM 1202 C ILE A 76 2.295 -4.049 -8.593 1.00 0.00 C ATOM 1203 O ILE A 76 2.678 -4.601 -9.624 1.00 0.00 O ATOM 1204 CB ILE A 76 4.014 -3.441 -6.784 1.00 0.00 C ATOM 1205 CG1 ILE A 76 3.180 -3.746 -5.531 1.00 0.00 C ATOM 1206 CG2 ILE A 76 5.058 -2.359 -6.494 1.00 0.00 C ATOM 1207 CD1 ILE A 76 4.009 -4.447 -4.461 1.00 0.00 C ATOM 0 H ILE A 76 2.012 -1.805 -6.677 1.00 0.00 H new ATOM 0 HA ILE A 76 3.923 -2.691 -8.710 1.00 0.00 H new ATOM 0 HB ILE A 76 4.493 -4.384 -7.049 1.00 0.00 H new ATOM 0 HG12 ILE A 76 2.775 -2.818 -5.128 1.00 0.00 H new ATOM 0 HG13 ILE A 76 2.331 -4.373 -5.802 1.00 0.00 H new ATOM 0 HG21 ILE A 76 5.674 -2.665 -5.648 1.00 0.00 H new ATOM 0 HG22 ILE A 76 5.690 -2.218 -7.371 1.00 0.00 H new ATOM 0 HG23 ILE A 76 4.554 -1.422 -6.256 1.00 0.00 H new ATOM 0 HD11 ILE A 76 3.385 -4.646 -3.590 1.00 0.00 H new ATOM 0 HD12 ILE A 76 4.392 -5.388 -4.856 1.00 0.00 H new ATOM 0 HD13 ILE A 76 4.844 -3.809 -4.171 1.00 0.00 H new ATOM 1219 N GLY A 77 1.116 -4.309 -8.022 1.00 0.00 N ATOM 1220 CA GLY A 77 0.290 -5.415 -8.458 1.00 0.00 C ATOM 1221 C GLY A 77 -1.069 -5.395 -7.771 1.00 0.00 C ATOM 1222 O GLY A 77 -1.537 -4.329 -7.362 1.00 0.00 O ATOM 0 H GLY A 77 0.720 -3.763 -7.257 1.00 0.00 H new ATOM 0 HA2 GLY A 77 0.154 -5.367 -9.538 1.00 0.00 H new ATOM 0 HA3 GLY A 77 0.795 -6.356 -8.242 1.00 0.00 H new ATOM 1226 N GLU A 78 -1.711 -6.559 -7.646 1.00 0.00 N ATOM 1227 CA GLU A 78 -3.045 -6.648 -7.074 1.00 0.00 C ATOM 1228 C GLU A 78 -3.199 -7.839 -6.132 1.00 0.00 C ATOM 1229 O GLU A 78 -2.410 -8.782 -6.136 1.00 0.00 O ATOM 1230 CB GLU A 78 -4.140 -6.549 -8.156 1.00 0.00 C ATOM 1231 CG GLU A 78 -4.061 -7.568 -9.305 1.00 0.00 C ATOM 1232 CD GLU A 78 -5.338 -7.562 -10.159 1.00 0.00 C ATOM 1233 OE1 GLU A 78 -6.444 -7.415 -9.587 1.00 0.00 O ATOM 1234 OE2 GLU A 78 -5.196 -7.712 -11.393 1.00 0.00 O ATOM 0 H GLU A 78 -1.320 -7.455 -7.937 1.00 0.00 H new ATOM 0 HA GLU A 78 -3.187 -5.775 -6.437 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -5.110 -6.656 -7.671 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -4.107 -5.547 -8.585 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -3.201 -7.340 -9.935 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -3.901 -8.566 -8.896 1.00 0.00 H new ATOM 1241 N LEU A 79 -4.206 -7.736 -5.265 1.00 0.00 N ATOM 1242 CA LEU A 79 -4.594 -8.785 -4.342 1.00 0.00 C ATOM 1243 C LEU A 79 -5.033 -10.003 -5.161 1.00 0.00 C ATOM 1244 O LEU A 79 -5.732 -9.843 -6.160 1.00 0.00 O ATOM 1245 CB LEU A 79 -5.715 -8.222 -3.456 1.00 0.00 C ATOM 1246 CG LEU A 79 -6.406 -9.246 -2.545 1.00 0.00 C ATOM 1247 CD1 LEU A 79 -5.422 -9.914 -1.589 1.00 0.00 C ATOM 1248 CD2 LEU A 79 -7.515 -8.549 -1.742 1.00 0.00 C ATOM 0 H LEU A 79 -4.784 -6.899 -5.189 1.00 0.00 H new ATOM 0 HA LEU A 79 -3.778 -9.106 -3.695 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -5.301 -7.428 -2.834 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -6.468 -7.764 -4.098 1.00 0.00 H new ATOM 0 HG LEU A 79 -6.831 -10.024 -3.178 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -5.953 -10.631 -0.963 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -4.653 -10.432 -2.162 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -4.956 -9.157 -0.958 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -8.007 -9.275 -1.095 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -7.080 -7.756 -1.133 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -8.246 -8.121 -2.428 1.00 0.00 H new ATOM 1260 N HIS A 80 -4.598 -11.201 -4.756 1.00 0.00 N ATOM 1261 CA HIS A 80 -4.870 -12.457 -5.443 1.00 0.00 C ATOM 1262 C HIS A 80 -6.331 -12.542 -5.893 1.00 0.00 C ATOM 1263 O HIS A 80 -7.219 -12.193 -5.110 1.00 0.00 O ATOM 1264 CB HIS A 80 -4.524 -13.611 -4.496 1.00 0.00 C ATOM 1265 CG HIS A 80 -4.192 -14.900 -5.191 1.00 0.00 C ATOM 1266 ND1 HIS A 80 -4.875 -16.088 -5.083 1.00 0.00 N ATOM 1267 CD2 HIS A 80 -3.124 -15.105 -6.024 1.00 0.00 C ATOM 1268 CE1 HIS A 80 -4.250 -16.983 -5.864 1.00 0.00 C ATOM 1269 NE2 HIS A 80 -3.179 -16.430 -6.459 1.00 0.00 N ATOM 0 H HIS A 80 -4.031 -11.321 -3.917 1.00 0.00 H new ATOM 0 HA HIS A 80 -4.257 -12.517 -6.343 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -3.677 -13.316 -3.877 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -5.366 -13.780 -3.824 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -2.376 -14.375 -6.295 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -4.565 -18.008 -5.996 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -2.533 -16.889 -7.102 1.00 0.00 H new ATOM 1277 N PRO A 81 -6.608 -13.005 -7.125 1.00 0.00 N ATOM 1278 CA PRO A 81 -7.945 -12.949 -7.676 1.00 0.00 C ATOM 1279 C PRO A 81 -8.892 -13.811 -6.850 1.00 0.00 C ATOM 1280 O PRO A 81 -10.059 -13.456 -6.724 1.00 0.00 O ATOM 1281 CB PRO A 81 -7.842 -13.390 -9.136 1.00 0.00 C ATOM 1282 CG PRO A 81 -6.545 -14.192 -9.213 1.00 0.00 C ATOM 1283 CD PRO A 81 -5.720 -13.754 -8.002 1.00 0.00 C ATOM 0 HA PRO A 81 -8.362 -11.943 -7.640 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -8.700 -13.997 -9.427 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -7.816 -12.532 -9.807 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -6.744 -15.263 -9.185 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -6.014 -13.990 -10.143 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -5.308 -14.620 -7.484 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -4.877 -13.138 -8.313 1.00 0.00 H new ATOM 1291 N ASP A 82 -8.388 -14.906 -6.267 1.00 0.00 N ATOM 1292 CA ASP A 82 -9.134 -15.773 -5.366 1.00 0.00 C ATOM 1293 C ASP A 82 -9.905 -14.947 -4.329 1.00 0.00 C ATOM 1294 O ASP A 82 -11.131 -14.857 -4.384 1.00 0.00 O ATOM 1295 CB ASP A 82 -8.167 -16.754 -4.692 1.00 0.00 C ATOM 1296 CG ASP A 82 -8.921 -17.784 -3.865 1.00 0.00 C ATOM 1297 OD1 ASP A 82 -9.739 -18.507 -4.468 1.00 0.00 O ATOM 1298 OD2 ASP A 82 -8.644 -17.835 -2.648 1.00 0.00 O ATOM 0 H ASP A 82 -7.427 -15.215 -6.417 1.00 0.00 H new ATOM 0 HA ASP A 82 -9.869 -16.341 -5.937 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -7.569 -17.259 -5.450 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -7.475 -16.206 -4.053 1.00 0.00 H new ATOM 1303 N ASP A 83 -9.171 -14.289 -3.428 1.00 0.00 N ATOM 1304 CA ASP A 83 -9.750 -13.474 -2.371 1.00 0.00 C ATOM 1305 C ASP A 83 -10.366 -12.201 -2.945 1.00 0.00 C ATOM 1306 O ASP A 83 -11.503 -11.879 -2.630 1.00 0.00 O ATOM 1307 CB ASP A 83 -8.697 -13.144 -1.316 1.00 0.00 C ATOM 1308 CG ASP A 83 -9.312 -12.308 -0.199 1.00 0.00 C ATOM 1309 OD1 ASP A 83 -9.970 -12.909 0.681 1.00 0.00 O ATOM 1310 OD2 ASP A 83 -9.086 -11.082 -0.241 1.00 0.00 O ATOM 0 H ASP A 83 -8.151 -14.311 -3.416 1.00 0.00 H new ATOM 0 HA ASP A 83 -10.546 -14.044 -1.892 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -8.283 -14.065 -0.905 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -7.871 -12.600 -1.774 1.00 0.00 H new ATOM 1315 N ARG A 84 -9.643 -11.482 -3.811 1.00 0.00 N ATOM 1316 CA ARG A 84 -10.133 -10.235 -4.394 1.00 0.00 C ATOM 1317 C ARG A 84 -11.517 -10.413 -5.024 1.00 0.00 C ATOM 1318 O ARG A 84 -12.356 -9.519 -4.924 1.00 0.00 O ATOM 1319 CB ARG A 84 -9.098 -9.684 -5.384 1.00 0.00 C ATOM 1320 CG ARG A 84 -9.531 -8.424 -6.143 1.00 0.00 C ATOM 1321 CD ARG A 84 -10.450 -8.742 -7.333 1.00 0.00 C ATOM 1322 NE ARG A 84 -10.005 -8.063 -8.560 1.00 0.00 N ATOM 1323 CZ ARG A 84 -10.676 -8.092 -9.721 1.00 0.00 C ATOM 1324 NH1 ARG A 84 -11.845 -8.742 -9.797 1.00 0.00 N ATOM 1325 NH2 ARG A 84 -10.171 -7.474 -10.793 1.00 0.00 N ATOM 0 H ARG A 84 -8.709 -11.748 -4.123 1.00 0.00 H new ATOM 0 HA ARG A 84 -10.261 -9.498 -3.601 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -8.179 -9.464 -4.840 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -8.861 -10.463 -6.109 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -10.047 -7.751 -5.459 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -8.647 -7.897 -6.501 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -10.470 -9.819 -7.500 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -11.470 -8.437 -7.097 1.00 0.00 H new ATOM 0 HE ARG A 84 -9.132 -7.537 -8.526 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -12.221 -9.212 -8.974 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -12.359 -8.767 -10.678 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -9.279 -6.983 -10.726 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -10.677 -7.493 -11.678 1.00 0.00 H new ATOM 1339 N SER A 85 -11.762 -11.542 -5.696 1.00 0.00 N ATOM 1340 CA SER A 85 -13.101 -11.877 -6.147 1.00 0.00 C ATOM 1341 C SER A 85 -13.930 -12.321 -4.939 1.00 0.00 C ATOM 1342 O SER A 85 -14.886 -11.650 -4.550 1.00 0.00 O ATOM 1343 CB SER A 85 -13.064 -12.917 -7.279 1.00 0.00 C ATOM 1344 OG SER A 85 -12.639 -14.196 -6.852 1.00 0.00 O ATOM 0 H SER A 85 -11.049 -12.231 -5.935 1.00 0.00 H new ATOM 0 HA SER A 85 -13.583 -11.001 -6.580 1.00 0.00 H new ATOM 0 HB2 SER A 85 -14.058 -13.000 -7.718 1.00 0.00 H new ATOM 0 HB3 SER A 85 -12.397 -12.564 -8.065 1.00 0.00 H new ATOM 0 HG SER A 85 -11.692 -14.160 -6.603 1.00 0.00 H new ATOM 1350 N LYS A 86 -13.569 -13.454 -4.338 1.00 0.00 N ATOM 1351 CA LYS A 86 -14.348 -14.084 -3.291 1.00 0.00 C ATOM 1352 C LYS A 86 -13.954 -13.533 -1.916 1.00 0.00 C ATOM 1353 O LYS A 86 -13.512 -14.281 -1.045 1.00 0.00 O ATOM 1354 CB LYS A 86 -14.230 -15.616 -3.414 1.00 0.00 C ATOM 1355 CG LYS A 86 -15.619 -16.233 -3.224 1.00 0.00 C ATOM 1356 CD LYS A 86 -15.545 -17.735 -2.937 1.00 0.00 C ATOM 1357 CE LYS A 86 -16.971 -18.254 -2.708 1.00 0.00 C ATOM 1358 NZ LYS A 86 -17.000 -19.701 -2.421 1.00 0.00 N ATOM 0 H LYS A 86 -12.715 -13.961 -4.573 1.00 0.00 H new ATOM 0 HA LYS A 86 -15.405 -13.842 -3.406 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -13.827 -15.887 -4.390 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -13.539 -16.003 -2.665 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -16.129 -15.731 -2.402 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -16.216 -16.064 -4.120 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -15.080 -18.259 -3.772 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -14.927 -17.924 -2.059 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -17.424 -17.712 -1.878 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -17.576 -18.049 -3.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -17.983 -20.006 -2.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -16.592 -20.222 -3.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -16.445 -19.896 -1.564 1.00 0.00 H new ATOM 1372 N ILE A 87 -14.150 -12.225 -1.711 1.00 0.00 N ATOM 1373 CA ILE A 87 -13.784 -11.560 -0.463 1.00 0.00 C ATOM 1374 C ILE A 87 -14.478 -12.267 0.704 1.00 0.00 C ATOM 1375 O ILE A 87 -15.707 -12.268 0.781 1.00 0.00 O ATOM 1376 CB ILE A 87 -14.111 -10.052 -0.534 1.00 0.00 C ATOM 1377 CG1 ILE A 87 -13.076 -9.294 -1.387 1.00 0.00 C ATOM 1378 CG2 ILE A 87 -14.219 -9.392 0.849 1.00 0.00 C ATOM 1379 CD1 ILE A 87 -11.743 -9.050 -0.665 1.00 0.00 C ATOM 0 H ILE A 87 -14.565 -11.603 -2.405 1.00 0.00 H new ATOM 0 HA ILE A 87 -12.708 -11.629 -0.301 1.00 0.00 H new ATOM 0 HB ILE A 87 -15.091 -9.986 -1.007 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -12.887 -9.859 -2.300 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -13.498 -8.335 -1.687 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -14.450 -8.333 0.730 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -15.011 -9.874 1.421 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -13.272 -9.499 1.378 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -11.064 -8.512 -1.326 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -11.919 -8.459 0.234 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -11.298 -10.006 -0.389 1.00 0.00 H new ATOM 1391 N ALA A 88 -13.692 -12.900 1.582 1.00 0.00 N ATOM 1392 CA ALA A 88 -14.194 -13.710 2.681 1.00 0.00 C ATOM 1393 C ALA A 88 -13.612 -13.217 4.003 1.00 0.00 C ATOM 1394 O ALA A 88 -14.236 -12.431 4.711 1.00 0.00 O ATOM 1395 CB ALA A 88 -13.882 -15.187 2.406 1.00 0.00 C ATOM 0 H ALA A 88 -12.674 -12.859 1.542 1.00 0.00 H new ATOM 0 HA ALA A 88 -15.277 -13.614 2.761 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -14.257 -15.797 3.228 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -14.363 -15.494 1.477 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -12.804 -15.321 2.317 1.00 0.00 H new ATOM 1401 N LYS A 89 -12.416 -13.693 4.351 1.00 0.00 N ATOM 1402 CA LYS A 89 -11.726 -13.287 5.566 1.00 0.00 C ATOM 1403 C LYS A 89 -11.427 -11.781 5.507 1.00 0.00 C ATOM 1404 O LYS A 89 -10.751 -11.352 4.576 1.00 0.00 O ATOM 1405 CB LYS A 89 -10.450 -14.131 5.737 1.00 0.00 C ATOM 1406 CG LYS A 89 -9.505 -14.069 4.518 1.00 0.00 C ATOM 1407 CD LYS A 89 -8.143 -13.449 4.858 1.00 0.00 C ATOM 1408 CE LYS A 89 -7.115 -14.524 5.240 1.00 0.00 C ATOM 1409 NZ LYS A 89 -5.793 -13.930 5.524 1.00 0.00 N ATOM 0 H LYS A 89 -11.900 -14.373 3.793 1.00 0.00 H new ATOM 0 HA LYS A 89 -12.355 -13.462 6.439 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -9.913 -13.789 6.621 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -10.731 -15.169 5.917 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -9.355 -15.076 4.128 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -9.977 -13.488 3.726 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -7.777 -12.881 4.003 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -8.258 -12.745 5.682 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -7.466 -15.070 6.116 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -7.024 -15.247 4.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -5.145 -14.670 5.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -5.411 -13.503 4.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -5.891 -13.198 6.256 1.00 0.00 H new ATOM 1423 N PRO A 90 -11.906 -10.958 6.454 1.00 0.00 N ATOM 1424 CA PRO A 90 -11.663 -9.528 6.390 1.00 0.00 C ATOM 1425 C PRO A 90 -10.168 -9.235 6.550 1.00 0.00 C ATOM 1426 O PRO A 90 -9.596 -8.575 5.688 1.00 0.00 O ATOM 1427 CB PRO A 90 -12.546 -8.891 7.466 1.00 0.00 C ATOM 1428 CG PRO A 90 -12.882 -10.033 8.429 1.00 0.00 C ATOM 1429 CD PRO A 90 -12.752 -11.304 7.585 1.00 0.00 C ATOM 0 HA PRO A 90 -11.926 -9.099 5.423 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -12.023 -8.083 7.978 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -13.449 -8.462 7.032 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -12.198 -10.050 9.278 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -13.889 -9.927 8.833 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -12.311 -12.114 8.167 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -13.730 -11.649 7.248 1.00 0.00 H new ATOM 1437 N SER A 91 -9.548 -9.754 7.622 1.00 0.00 N ATOM 1438 CA SER A 91 -8.184 -9.427 8.050 1.00 0.00 C ATOM 1439 C SER A 91 -8.107 -7.954 8.484 1.00 0.00 C ATOM 1440 O SER A 91 -8.455 -7.059 7.722 1.00 0.00 O ATOM 1441 CB SER A 91 -7.115 -9.792 6.997 1.00 0.00 C ATOM 1442 OG SER A 91 -6.680 -11.146 7.130 1.00 0.00 O ATOM 0 H SER A 91 -10.000 -10.435 8.233 1.00 0.00 H new ATOM 0 HA SER A 91 -7.950 -10.050 8.913 1.00 0.00 H new ATOM 0 HB2 SER A 91 -7.522 -9.637 5.998 1.00 0.00 H new ATOM 0 HB3 SER A 91 -6.260 -9.124 7.100 1.00 0.00 H new ATOM 0 HG SER A 91 -5.812 -11.256 6.688 1.00 0.00 H new ATOM 1448 N GLU A 92 -7.696 -7.720 9.734 1.00 0.00 N ATOM 1449 CA GLU A 92 -7.575 -6.395 10.317 1.00 0.00 C ATOM 1450 C GLU A 92 -6.382 -6.393 11.264 1.00 0.00 C ATOM 1451 O GLU A 92 -6.036 -7.446 11.805 1.00 0.00 O ATOM 1452 CB GLU A 92 -8.870 -6.039 11.070 1.00 0.00 C ATOM 1453 CG GLU A 92 -9.765 -5.119 10.236 1.00 0.00 C ATOM 1454 CD GLU A 92 -9.256 -3.689 10.338 1.00 0.00 C ATOM 1455 OE1 GLU A 92 -8.196 -3.419 9.735 1.00 0.00 O ATOM 1456 OE2 GLU A 92 -9.895 -2.930 11.094 1.00 0.00 O ATOM 0 H GLU A 92 -7.434 -8.468 10.377 1.00 0.00 H new ATOM 0 HA GLU A 92 -7.420 -5.649 9.538 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -9.412 -6.952 11.316 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -8.622 -5.551 12.013 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -9.768 -5.442 9.195 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -10.794 -5.176 10.590 1.00 0.00 H new ATOM 1463 N THR A 93 -5.783 -5.216 11.463 1.00 0.00 N ATOM 1464 CA THR A 93 -4.623 -5.019 12.326 1.00 0.00 C ATOM 1465 C THR A 93 -4.820 -3.775 13.198 1.00 0.00 C ATOM 1466 O THR A 93 -4.759 -3.872 14.423 1.00 0.00 O ATOM 1467 CB THR A 93 -3.342 -4.950 11.474 1.00 0.00 C ATOM 1468 OG1 THR A 93 -3.112 -6.191 10.832 1.00 0.00 O ATOM 1469 CG2 THR A 93 -2.096 -4.650 12.314 1.00 0.00 C ATOM 0 H THR A 93 -6.101 -4.356 11.017 1.00 0.00 H new ATOM 0 HA THR A 93 -4.515 -5.867 13.002 1.00 0.00 H new ATOM 0 HB THR A 93 -3.501 -4.146 10.756 1.00 0.00 H new ATOM 0 HG1 THR A 93 -2.296 -6.134 10.292 1.00 0.00 H new ATOM 0 HG21 THR A 93 -1.221 -4.612 11.666 1.00 0.00 H new ATOM 0 HG22 THR A 93 -2.218 -3.690 12.816 1.00 0.00 H new ATOM 0 HG23 THR A 93 -1.962 -5.434 13.059 1.00 0.00 H new ATOM 1477 N LEU A 94 -5.022 -2.608 12.582 1.00 0.00 N ATOM 1478 CA LEU A 94 -5.157 -1.315 13.232 1.00 0.00 C ATOM 1479 C LEU A 94 -5.637 -0.382 12.123 1.00 0.00 C ATOM 1480 O LEU A 94 -5.369 -0.759 10.959 1.00 0.00 O ATOM 1481 CB LEU A 94 -3.788 -0.857 13.775 1.00 0.00 C ATOM 1482 CG LEU A 94 -3.810 0.006 15.050 1.00 0.00 C ATOM 1483 CD1 LEU A 94 -4.454 1.380 14.851 1.00 0.00 C ATOM 1484 CD2 LEU A 94 -4.467 -0.725 16.227 1.00 0.00 C ATOM 1485 OXT LEU A 94 -6.235 0.667 12.443 1.00 0.00 O ATOM 0 H LEU A 94 -5.099 -2.543 11.567 1.00 0.00 H new ATOM 0 HA LEU A 94 -5.843 -1.334 14.079 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -3.185 -1.743 13.973 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -3.280 -0.295 12.991 1.00 0.00 H new ATOM 0 HG LEU A 94 -2.761 0.181 15.289 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -4.434 1.931 15.791 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -3.901 1.935 14.093 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -5.487 1.254 14.527 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -4.461 -0.080 17.105 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -5.496 -0.978 15.970 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -3.912 -1.638 16.444 1.00 0.00 H new TER 1497 LEU A 94 HETATM 1498 CHA HEM A 96 -1.212 12.901 3.020 1.00 0.00 C HETATM 1499 CHB HEM A 96 -0.428 10.160 -0.975 1.00 0.00 C HETATM 1500 CHC HEM A 96 -1.203 6.123 1.709 1.00 0.00 C HETATM 1501 CHD HEM A 96 -1.790 8.867 5.759 1.00 0.00 C HETATM 1502 C1A HEM A 96 -1.010 12.489 1.704 1.00 0.00 C HETATM 1503 C2A HEM A 96 -0.873 13.390 0.582 1.00 0.00 C HETATM 1504 C3A HEM A 96 -0.576 12.620 -0.525 1.00 0.00 C HETATM 1505 C4A HEM A 96 -0.644 11.239 -0.116 1.00 0.00 C HETATM 1506 CMA HEM A 96 -0.207 13.097 -1.911 1.00 0.00 C HETATM 1507 CAA HEM A 96 -1.070 14.895 0.625 1.00 0.00 C HETATM 1508 CBA HEM A 96 -2.402 15.353 1.229 1.00 0.00 C HETATM 1509 CGA HEM A 96 -2.824 16.730 0.729 1.00 0.00 C HETATM 1510 O1A HEM A 96 -4.040 17.008 0.800 1.00 0.00 O HETATM 1511 O2A HEM A 96 -1.926 17.488 0.302 1.00 0.00 O HETATM 1512 C1B HEM A 96 -0.536 8.836 -0.562 1.00 0.00 C HETATM 1513 C2B HEM A 96 -0.339 7.696 -1.429 1.00 0.00 C HETATM 1514 C3B HEM A 96 -0.591 6.588 -0.660 1.00 0.00 C HETATM 1515 C4B HEM A 96 -0.900 7.001 0.680 1.00 0.00 C HETATM 1516 CMB HEM A 96 0.079 7.718 -2.878 1.00 0.00 C HETATM 1517 CAB HEM A 96 -0.450 5.149 -1.103 1.00 0.00 C HETATM 1518 CBB HEM A 96 -1.155 4.672 -2.140 1.00 0.00 C HETATM 1519 C1C HEM A 96 -1.423 6.529 3.021 1.00 0.00 C HETATM 1520 C2C HEM A 96 -1.781 5.632 4.092 1.00 0.00 C HETATM 1521 C3C HEM A 96 -1.849 6.401 5.226 1.00 0.00 C HETATM 1522 C4C HEM A 96 -1.658 7.786 4.879 1.00 0.00 C HETATM 1523 CMC HEM A 96 -2.095 4.159 3.984 1.00 0.00 C HETATM 1524 CAC HEM A 96 -2.299 5.898 6.577 1.00 0.00 C HETATM 1525 CBC HEM A 96 -1.651 4.873 7.172 1.00 0.00 C HETATM 1526 C1D HEM A 96 -1.709 10.205 5.348 1.00 0.00 C HETATM 1527 C2D HEM A 96 -1.767 11.344 6.236 1.00 0.00 C HETATM 1528 C3D HEM A 96 -1.674 12.481 5.453 1.00 0.00 C HETATM 1529 C4D HEM A 96 -1.438 12.041 4.098 1.00 0.00 C HETATM 1530 CMD HEM A 96 -1.816 11.256 7.742 1.00 0.00 C HETATM 1531 CAD HEM A 96 -1.788 13.945 5.851 1.00 0.00 C HETATM 1532 CBD HEM A 96 -2.702 14.323 7.023 1.00 0.00 C HETATM 1533 CGD HEM A 96 -4.112 13.784 6.834 1.00 0.00 C HETATM 1534 O1D HEM A 96 -4.568 13.054 7.740 1.00 0.00 O HETATM 1535 O2D HEM A 96 -4.707 14.126 5.790 1.00 0.00 O HETATM 1536 NA HEM A 96 -0.928 11.222 1.224 1.00 0.00 N HETATM 1537 NB HEM A 96 -0.836 8.365 0.700 1.00 0.00 N HETATM 1538 NC HEM A 96 -1.391 7.807 3.535 1.00 0.00 N HETATM 1539 ND HEM A 96 -1.493 10.690 4.090 1.00 0.00 N HETATM 1540 FE HEM A 96 -1.162 9.553 2.403 1.00 0.00 FE HETATM 0 HMA1 HEM A 96 0.478 12.384 -2.371 1.00 0.00 H new HETATM 0 HMA2 HEM A 96 0.276 14.072 -1.844 1.00 0.00 H new HETATM 0 HMA3 HEM A 96 -1.108 13.179 -2.519 1.00 0.00 H new HETATM 0 HMB1 HEM A 96 0.639 6.812 -3.109 1.00 0.00 H new HETATM 0 HMB2 HEM A 96 0.707 8.589 -3.062 1.00 0.00 H new HETATM 0 HMB3 HEM A 96 -0.807 7.769 -3.511 1.00 0.00 H new HETATM 0 HMC1 HEM A 96 -2.530 3.950 3.007 1.00 0.00 H new HETATM 0 HMC2 HEM A 96 -2.804 3.880 4.764 1.00 0.00 H new HETATM 0 HMC3 HEM A 96 -1.178 3.582 4.104 1.00 0.00 H new HETATM 0 HMD1 HEM A 96 -1.338 12.135 8.174 1.00 0.00 H new HETATM 0 HMD2 HEM A 96 -1.291 10.359 8.071 1.00 0.00 H new HETATM 0 HMD3 HEM A 96 -2.854 11.210 8.070 1.00 0.00 H new HETATM 0 HBB1 HEM A 96 -1.040 3.632 -2.445 1.00 0.00 H new HETATM 0 HBB2 HEM A 96 -1.843 5.325 -2.678 1.00 0.00 H new HETATM 0 HBC1 HEM A 96 -1.979 4.513 8.147 1.00 0.00 H new HETATM 0 HBC2 HEM A 96 -0.800 4.406 6.677 1.00 0.00 H new HETATM 0 HBA1 HEM A 96 -2.317 15.374 2.315 1.00 0.00 H new HETATM 0 HBA2 HEM A 96 -3.177 14.627 0.984 1.00 0.00 H new HETATM 0 HAA1 HEM A 96 -0.994 15.286 -0.390 1.00 0.00 H new HETATM 0 HAA2 HEM A 96 -0.256 15.337 1.199 1.00 0.00 H new HETATM 0 HBD1 HEM A 96 -2.737 15.408 7.122 1.00 0.00 H new HETATM 0 HBD2 HEM A 96 -2.284 13.932 7.951 1.00 0.00 H new HETATM 0 HAD1 HEM A 96 -2.127 14.499 4.976 1.00 0.00 H new HETATM 0 HAD2 HEM A 96 -0.785 14.302 6.086 1.00 0.00 H new HETATM 0 HHA HEM A 96 -1.192 13.962 3.221 1.00 0.00 H new HETATM 0 HHB HEM A 96 -0.166 10.362 -2.003 1.00 0.00 H new HETATM 0 HHC HEM A 96 -1.272 5.070 1.480 1.00 0.00 H new HETATM 0 HHD HEM A 96 -1.963 8.660 6.805 1.00 0.00 H new HETATM 0 HAB HEM A 96 0.235 4.489 -0.571 1.00 0.00 H new HETATM 0 HAC HEM A 96 -3.150 6.364 7.074 1.00 0.00 H new