USER MOD reduce.3.24.130724 H: found=0, std=0, add=611, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 610 hydrogens (32 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 15 HIS HE2 : A 15 HIS NE2 : A 90 HECFE :(H bumps) USER MOD NoAdj-H: A 90 HEC HAC : A 90 HEC CAC : A 14 CYS SG :(H bumps) USER MOD NoAdj-H: A 90 HEC HAB : A 90 HEC CAB : A 11 CYS SG :(H bumps) USER MOD Set 1.1: A 51 ASN : amide:sc= 0.913 K(o=1.8,f=0.91) USER MOD Set 1.2: A 90 HEC O2D : rot -140:sc= 0.927 USER MOD Single : A 1 GLN :FLIP amide:sc= -0.774 F(o=-1.8,f=-0.77) USER MOD Single : A 7 TYR OH : rot 133:sc= 0.398 USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -3 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -36:sc= 0.502 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 HIS : no HD1:sc= -0.279 X(o=-0.28,f=-0.48) USER MOD Single : A 27 ASN : amide:sc= -0.529 K(o=-0.53,f=-2!) USER MOD Single : A 28 THR OG1 : rot -77:sc= 1.27 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 ASN :FLIP amide:sc= -0.289 F(o=-2.2!,f=-0.29) USER MOD Single : A 44 LYS NZ :NH3+ -108:sc= 0.92 (180deg=-0.224) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 88:sc= 0.0495 USER MOD Single : A 53 MET CE :methyl 157:sc= -1.67 (180deg=-3.06!) USER MOD Single : A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 38:sc= 0.274 USER MOD Single : A 68 LYS NZ :NH3+ -160:sc= -0.122 (180deg=-0.761) USER MOD Single : A 74 MET CE :methyl 178:sc= 0 (180deg=-0.00456) USER MOD Single : A 75 SER OG : rot 180:sc= -0.0462 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 176:sc= -0.578 (180deg=-0.962) USER MOD Single : A 90 HEC O2A : rot -140:sc= -0.104 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A -3 2.689 -1.597 -14.445 1.00 10.00 N ATOM 2 CA ALA A -3 4.044 -1.644 -15.038 1.00 10.00 C ATOM 3 C ALA A -3 4.480 -3.092 -15.236 1.00 10.00 C ATOM 4 O ALA A -3 4.174 -3.656 -16.279 1.00 10.00 O ATOM 5 CB ALA A -3 5.060 -0.836 -14.222 1.00 10.00 C ATOM 0 H1 ALA A -3 2.401 -0.606 -14.314 1.00 10.00 H new ATOM 0 H2 ALA A -3 2.016 -2.072 -15.080 1.00 10.00 H new ATOM 0 H3 ALA A -3 2.696 -2.080 -13.524 1.00 10.00 H new ATOM 0 HA ALA A -3 4.004 -1.167 -16.017 1.00 10.00 H new ATOM 0 HB1 ALA A -3 6.040 -0.900 -14.695 1.00 10.00 H new ATOM 0 HB2 ALA A -3 4.745 0.207 -14.179 1.00 10.00 H new ATOM 0 HB3 ALA A -3 5.118 -1.240 -13.211 1.00 10.00 H new ATOM 13 N ASP A -2 5.096 -3.696 -14.217 1.00 10.00 N ATOM 14 CA ASP A -2 5.561 -5.067 -14.297 1.00 10.00 C ATOM 15 C ASP A -2 5.839 -5.623 -12.892 1.00 10.00 C ATOM 16 O ASP A -2 6.536 -4.990 -12.098 1.00 10.00 O ATOM 17 CB ASP A -2 6.808 -5.114 -15.190 1.00 10.00 C ATOM 18 CG ASP A -2 7.000 -6.498 -15.780 1.00 10.00 C ATOM 19 OD1 ASP A -2 6.431 -7.447 -15.195 1.00 10.00 O ATOM 20 OD2 ASP A -2 7.760 -6.601 -16.769 1.00 10.00 O ATOM 0 H ASP A -2 5.282 -3.244 -13.321 1.00 10.00 H new ATOM 0 HA ASP A -2 4.792 -5.699 -14.740 1.00 10.00 H new ATOM 0 HB2 ASP A -2 6.713 -4.382 -15.992 1.00 10.00 H new ATOM 0 HB3 ASP A -2 7.687 -4.837 -14.608 1.00 10.00 H new ATOM 25 N LEU A -1 5.252 -6.772 -12.553 1.00 10.00 N ATOM 26 CA LEU A -1 5.397 -7.428 -11.256 1.00 10.00 C ATOM 27 C LEU A -1 6.737 -8.173 -11.192 1.00 10.00 C ATOM 28 O LEU A -1 6.809 -9.394 -11.075 1.00 10.00 O ATOM 29 CB LEU A -1 4.163 -8.312 -11.075 1.00 10.00 C ATOM 30 CG LEU A -1 3.789 -8.787 -9.664 1.00 10.00 C ATOM 31 CD1 LEU A -1 4.702 -9.886 -9.115 1.00 10.00 C ATOM 32 CD2 LEU A -1 3.677 -7.619 -8.679 1.00 10.00 C ATOM 0 H LEU A -1 4.646 -7.285 -13.193 1.00 10.00 H new ATOM 0 HA LEU A -1 5.435 -6.725 -10.424 1.00 10.00 H new ATOM 0 HB2 LEU A -1 3.307 -7.769 -11.477 1.00 10.00 H new ATOM 0 HB3 LEU A -1 4.299 -9.198 -11.695 1.00 10.00 H new ATOM 0 HG LEU A -1 2.804 -9.241 -9.770 1.00 10.00 H new ATOM 0 HD11 LEU A -1 4.372 -10.167 -8.115 1.00 10.00 H new ATOM 0 HD12 LEU A -1 4.658 -10.756 -9.770 1.00 10.00 H new ATOM 0 HD13 LEU A -1 5.727 -9.518 -9.069 1.00 10.00 H new ATOM 0 HD21 LEU A -1 3.411 -7.999 -7.693 1.00 10.00 H new ATOM 0 HD22 LEU A -1 4.633 -7.099 -8.621 1.00 10.00 H new ATOM 0 HD23 LEU A -1 2.907 -6.927 -9.021 1.00 10.00 H new ATOM 44 N GLN A 1 7.808 -7.395 -11.329 1.00 10.00 N ATOM 45 CA GLN A 1 9.195 -7.814 -11.175 1.00 10.00 C ATOM 46 C GLN A 1 9.861 -7.198 -9.950 1.00 10.00 C ATOM 47 O GLN A 1 10.839 -7.748 -9.447 1.00 10.00 O ATOM 48 CB GLN A 1 9.957 -7.422 -12.449 1.00 10.00 C ATOM 49 CG GLN A 1 10.196 -8.645 -13.344 1.00 10.00 C ATOM 50 CD GLN A 1 10.117 -8.279 -14.816 1.00 10.00 C ATOM 51 OE1 GLN A 1 8.980 -8.540 -15.433 1.00 10.00 O flip ATOM 52 NE2 GLN A 1 11.059 -7.745 -15.387 1.00 10.00 N flip ATOM 0 H GLN A 1 7.726 -6.405 -11.562 1.00 10.00 H new ATOM 0 HA GLN A 1 9.216 -8.893 -11.025 1.00 10.00 H new ATOM 0 HB2 GLN A 1 9.391 -6.670 -12.999 1.00 10.00 H new ATOM 0 HB3 GLN A 1 10.912 -6.970 -12.181 1.00 10.00 H new ATOM 0 HG2 GLN A 1 11.175 -9.072 -13.126 1.00 10.00 H new ATOM 0 HG3 GLN A 1 9.456 -9.413 -13.118 1.00 10.00 H new ATOM 0 HE21 GLN A 1 11.924 -7.558 -14.879 1.00 10.00 H new ATOM 0 HE22 GLN A 1 10.979 -7.487 -16.371 1.00 10.00 H new ATOM 61 N ASP A 2 9.357 -6.046 -9.511 1.00 10.00 N ATOM 62 CA ASP A 2 9.854 -5.395 -8.319 1.00 10.00 C ATOM 63 C ASP A 2 8.731 -4.623 -7.633 1.00 10.00 C ATOM 64 O ASP A 2 8.191 -3.654 -8.169 1.00 10.00 O ATOM 65 CB ASP A 2 11.055 -4.501 -8.650 1.00 10.00 C ATOM 66 CG ASP A 2 11.866 -4.253 -7.388 1.00 10.00 C ATOM 67 OD1 ASP A 2 11.212 -3.994 -6.351 1.00 10.00 O ATOM 68 OD2 ASP A 2 13.107 -4.345 -7.485 1.00 10.00 O ATOM 0 H ASP A 2 8.598 -5.547 -9.974 1.00 10.00 H new ATOM 0 HA ASP A 2 10.206 -6.153 -7.619 1.00 10.00 H new ATOM 0 HB2 ASP A 2 11.678 -4.976 -9.408 1.00 10.00 H new ATOM 0 HB3 ASP A 2 10.713 -3.554 -9.067 1.00 10.00 H new ATOM 73 N ALA A 3 8.400 -5.035 -6.418 1.00 10.00 N ATOM 74 CA ALA A 3 7.492 -4.324 -5.554 1.00 10.00 C ATOM 75 C ALA A 3 7.840 -2.834 -5.407 1.00 10.00 C ATOM 76 O ALA A 3 6.930 -2.005 -5.331 1.00 10.00 O ATOM 77 CB ALA A 3 7.481 -5.045 -4.225 1.00 10.00 C ATOM 0 H ALA A 3 8.767 -5.892 -6.004 1.00 10.00 H new ATOM 0 HA ALA A 3 6.495 -4.323 -5.994 1.00 10.00 H new ATOM 0 HB1 ALA A 3 6.803 -4.536 -3.540 1.00 10.00 H new ATOM 0 HB2 ALA A 3 7.146 -6.072 -4.371 1.00 10.00 H new ATOM 0 HB3 ALA A 3 8.487 -5.048 -3.804 1.00 10.00 H new ATOM 83 N GLU A 4 9.133 -2.476 -5.445 1.00 10.00 N ATOM 84 CA GLU A 4 9.541 -1.079 -5.549 1.00 10.00 C ATOM 85 C GLU A 4 8.900 -0.412 -6.769 1.00 10.00 C ATOM 86 O GLU A 4 8.247 0.623 -6.656 1.00 10.00 O ATOM 87 CB GLU A 4 11.069 -0.958 -5.592 1.00 10.00 C ATOM 88 CG GLU A 4 11.492 0.498 -5.862 1.00 10.00 C ATOM 89 CD GLU A 4 12.893 0.815 -5.362 1.00 10.00 C ATOM 90 OE1 GLU A 4 13.841 0.183 -5.872 1.00 10.00 O ATOM 91 OE2 GLU A 4 12.986 1.700 -4.485 1.00 10.00 O ATOM 0 H GLU A 4 9.908 -3.138 -5.405 1.00 10.00 H new ATOM 0 HA GLU A 4 9.189 -0.556 -4.660 1.00 10.00 H new ATOM 0 HB2 GLU A 4 11.492 -1.296 -4.646 1.00 10.00 H new ATOM 0 HB3 GLU A 4 11.469 -1.608 -6.370 1.00 10.00 H new ATOM 0 HG2 GLU A 4 11.443 0.692 -6.934 1.00 10.00 H new ATOM 0 HG3 GLU A 4 10.781 1.171 -5.383 1.00 10.00 H new ATOM 98 N ALA A 5 9.021 -1.046 -7.937 1.00 10.00 N ATOM 99 CA ALA A 5 8.515 -0.511 -9.193 1.00 10.00 C ATOM 100 C ALA A 5 6.988 -0.504 -9.203 1.00 10.00 C ATOM 101 O ALA A 5 6.372 0.430 -9.716 1.00 10.00 O ATOM 102 CB ALA A 5 9.070 -1.320 -10.367 1.00 10.00 C ATOM 0 H ALA A 5 9.478 -1.953 -8.034 1.00 10.00 H new ATOM 0 HA ALA A 5 8.850 0.521 -9.296 1.00 10.00 H new ATOM 0 HB1 ALA A 5 8.687 -0.913 -11.303 1.00 10.00 H new ATOM 0 HB2 ALA A 5 10.159 -1.263 -10.366 1.00 10.00 H new ATOM 0 HB3 ALA A 5 8.761 -2.361 -10.270 1.00 10.00 H new ATOM 108 N ILE A 6 6.361 -1.496 -8.567 1.00 10.00 N ATOM 109 CA ILE A 6 4.911 -1.522 -8.458 1.00 10.00 C ATOM 110 C ILE A 6 4.446 -0.346 -7.602 1.00 10.00 C ATOM 111 O ILE A 6 3.639 0.447 -8.084 1.00 10.00 O ATOM 112 CB ILE A 6 4.450 -2.867 -7.874 1.00 10.00 C ATOM 113 CG1 ILE A 6 4.679 -4.023 -8.864 1.00 10.00 C ATOM 114 CG2 ILE A 6 2.990 -2.841 -7.392 1.00 10.00 C ATOM 115 CD1 ILE A 6 3.794 -3.976 -10.118 1.00 10.00 C ATOM 0 H ILE A 6 6.835 -2.283 -8.125 1.00 10.00 H new ATOM 0 HA ILE A 6 4.463 -1.423 -9.447 1.00 10.00 H new ATOM 0 HB ILE A 6 5.070 -3.041 -6.995 1.00 10.00 H new ATOM 0 HG12 ILE A 6 5.724 -4.018 -9.173 1.00 10.00 H new ATOM 0 HG13 ILE A 6 4.504 -4.967 -8.347 1.00 10.00 H new ATOM 0 HG21 ILE A 6 2.722 -3.818 -6.990 1.00 10.00 H new ATOM 0 HG22 ILE A 6 2.877 -2.086 -6.614 1.00 10.00 H new ATOM 0 HG23 ILE A 6 2.335 -2.601 -8.229 1.00 10.00 H new ATOM 0 HD11 ILE A 6 4.024 -4.828 -10.758 1.00 10.00 H new ATOM 0 HD12 ILE A 6 2.745 -4.015 -9.825 1.00 10.00 H new ATOM 0 HD13 ILE A 6 3.984 -3.051 -10.663 1.00 10.00 H new ATOM 127 N TYR A 7 4.985 -0.137 -6.395 1.00 10.00 N ATOM 128 CA TYR A 7 4.486 0.980 -5.596 1.00 10.00 C ATOM 129 C TYR A 7 4.870 2.328 -6.223 1.00 10.00 C ATOM 130 O TYR A 7 4.044 3.231 -6.310 1.00 10.00 O ATOM 131 CB TYR A 7 4.838 0.847 -4.101 1.00 10.00 C ATOM 132 CG TYR A 7 6.036 1.647 -3.643 1.00 10.00 C ATOM 133 CD1 TYR A 7 5.928 3.036 -3.436 1.00 10.00 C ATOM 134 CD2 TYR A 7 7.282 1.018 -3.522 1.00 10.00 C ATOM 135 CE1 TYR A 7 7.089 3.806 -3.250 1.00 10.00 C ATOM 136 CE2 TYR A 7 8.442 1.793 -3.375 1.00 10.00 C ATOM 137 CZ TYR A 7 8.346 3.185 -3.251 1.00 10.00 C ATOM 138 OH TYR A 7 9.478 3.929 -3.131 1.00 10.00 O ATOM 0 H TYR A 7 5.726 -0.694 -5.970 1.00 10.00 H new ATOM 0 HA TYR A 7 3.397 0.944 -5.615 1.00 10.00 H new ATOM 0 HB2 TYR A 7 3.972 1.152 -3.513 1.00 10.00 H new ATOM 0 HB3 TYR A 7 5.019 -0.205 -3.880 1.00 10.00 H new ATOM 0 HD1 TYR A 7 4.957 3.508 -3.420 1.00 10.00 H new ATOM 0 HD2 TYR A 7 7.349 -0.060 -3.542 1.00 10.00 H new ATOM 0 HE1 TYR A 7 7.013 4.874 -3.107 1.00 10.00 H new ATOM 0 HE2 TYR A 7 9.411 1.316 -3.357 1.00 10.00 H new ATOM 0 HH TYR A 7 10.070 3.519 -2.466 1.00 10.00 H new ATOM 148 N ASN A 8 6.095 2.436 -6.740 1.00 10.00 N ATOM 149 CA ASN A 8 6.651 3.635 -7.353 1.00 10.00 C ATOM 150 C ASN A 8 5.972 3.986 -8.689 1.00 10.00 C ATOM 151 O ASN A 8 6.022 5.132 -9.120 1.00 10.00 O ATOM 152 CB ASN A 8 8.159 3.415 -7.486 1.00 10.00 C ATOM 153 CG ASN A 8 8.945 4.645 -7.905 1.00 10.00 C ATOM 154 OD1 ASN A 8 8.571 5.780 -7.648 1.00 10.00 O ATOM 155 ND2 ASN A 8 10.083 4.423 -8.546 1.00 10.00 N ATOM 0 H ASN A 8 6.751 1.655 -6.741 1.00 10.00 H new ATOM 0 HA ASN A 8 6.459 4.505 -6.724 1.00 10.00 H new ATOM 0 HB2 ASN A 8 8.546 3.061 -6.531 1.00 10.00 H new ATOM 0 HB3 ASN A 8 8.334 2.623 -8.214 1.00 10.00 H new ATOM 0 HD21 ASN A 8 10.667 5.208 -8.836 1.00 10.00 H new ATOM 0 HD22 ASN A 8 10.375 3.467 -8.750 1.00 10.00 H new ATOM 162 N LYS A 9 5.337 3.023 -9.364 1.00 10.00 N ATOM 163 CA LYS A 9 4.437 3.287 -10.492 1.00 10.00 C ATOM 164 C LYS A 9 2.957 3.456 -10.074 1.00 10.00 C ATOM 165 O LYS A 9 2.212 4.147 -10.767 1.00 10.00 O ATOM 166 CB LYS A 9 4.595 2.167 -11.527 1.00 10.00 C ATOM 167 CG LYS A 9 3.994 2.519 -12.900 1.00 10.00 C ATOM 168 CD LYS A 9 5.033 2.947 -13.958 1.00 10.00 C ATOM 169 CE LYS A 9 5.174 4.472 -14.083 1.00 10.00 C ATOM 170 NZ LYS A 9 5.741 4.848 -15.399 1.00 10.00 N ATOM 0 H LYS A 9 5.433 2.032 -9.142 1.00 10.00 H new ATOM 0 HA LYS A 9 4.724 4.244 -10.927 1.00 10.00 H new ATOM 0 HB2 LYS A 9 5.654 1.941 -11.649 1.00 10.00 H new ATOM 0 HB3 LYS A 9 4.117 1.263 -11.150 1.00 10.00 H new ATOM 0 HG2 LYS A 9 3.445 1.655 -13.275 1.00 10.00 H new ATOM 0 HG3 LYS A 9 3.271 3.325 -12.771 1.00 10.00 H new ATOM 0 HD2 LYS A 9 6.002 2.519 -13.701 1.00 10.00 H new ATOM 0 HD3 LYS A 9 4.748 2.534 -14.926 1.00 10.00 H new ATOM 0 HE2 LYS A 9 4.199 4.942 -13.956 1.00 10.00 H new ATOM 0 HE3 LYS A 9 5.816 4.848 -13.286 1.00 10.00 H new ATOM 0 HZ1 LYS A 9 5.826 5.883 -15.458 1.00 10.00 H new ATOM 0 HZ2 LYS A 9 6.681 4.417 -15.508 1.00 10.00 H new ATOM 0 HZ3 LYS A 9 5.115 4.509 -16.157 1.00 10.00 H new ATOM 184 N ALA A 10 2.507 2.809 -8.991 1.00 10.00 N ATOM 185 CA ALA A 10 1.090 2.687 -8.616 1.00 10.00 C ATOM 186 C ALA A 10 0.724 3.569 -7.417 1.00 10.00 C ATOM 187 O ALA A 10 -0.019 4.542 -7.536 1.00 10.00 O ATOM 188 CB ALA A 10 0.762 1.216 -8.319 1.00 10.00 C ATOM 0 H ALA A 10 3.133 2.344 -8.334 1.00 10.00 H new ATOM 0 HA ALA A 10 0.493 3.037 -9.458 1.00 10.00 H new ATOM 0 HB1 ALA A 10 -0.288 1.126 -8.041 1.00 10.00 H new ATOM 0 HB2 ALA A 10 0.955 0.614 -9.207 1.00 10.00 H new ATOM 0 HB3 ALA A 10 1.386 0.863 -7.498 1.00 10.00 H new ATOM 194 N CYS A 11 1.279 3.257 -6.246 1.00 10.00 N ATOM 195 CA CYS A 11 1.076 3.965 -4.985 1.00 10.00 C ATOM 196 C CYS A 11 1.934 5.250 -4.963 1.00 10.00 C ATOM 197 O CYS A 11 2.545 5.612 -3.959 1.00 10.00 O ATOM 198 CB CYS A 11 1.390 3.039 -3.822 1.00 10.00 C ATOM 199 SG CYS A 11 1.292 1.258 -4.181 1.00 10.00 S ATOM 0 H CYS A 11 1.913 2.464 -6.148 1.00 10.00 H new ATOM 0 HA CYS A 11 0.034 4.269 -4.888 1.00 10.00 H new ATOM 0 HB2 CYS A 11 2.395 3.264 -3.464 1.00 10.00 H new ATOM 0 HB3 CYS A 11 0.703 3.265 -3.006 1.00 10.00 H new ATOM 204 N THR A 12 1.983 5.951 -6.097 1.00 10.00 N ATOM 205 CA THR A 12 2.938 7.023 -6.366 1.00 10.00 C ATOM 206 C THR A 12 2.266 8.344 -6.720 1.00 10.00 C ATOM 207 O THR A 12 2.935 9.321 -7.054 1.00 10.00 O ATOM 208 CB THR A 12 3.888 6.572 -7.475 1.00 10.00 C ATOM 209 OG1 THR A 12 4.977 7.453 -7.533 1.00 10.00 O ATOM 210 CG2 THR A 12 3.192 6.549 -8.841 1.00 10.00 C ATOM 0 H THR A 12 1.342 5.783 -6.873 1.00 10.00 H new ATOM 0 HA THR A 12 3.498 7.215 -5.451 1.00 10.00 H new ATOM 0 HB THR A 12 4.221 5.560 -7.245 1.00 10.00 H new ATOM 0 HG1 THR A 12 4.670 8.365 -7.347 1.00 10.00 H new ATOM 0 HG21 THR A 12 3.899 6.223 -9.604 1.00 10.00 H new ATOM 0 HG22 THR A 12 2.350 5.858 -8.808 1.00 10.00 H new ATOM 0 HG23 THR A 12 2.832 7.549 -9.083 1.00 10.00 H new ATOM 218 N VAL A 13 0.938 8.356 -6.651 1.00 10.00 N ATOM 219 CA VAL A 13 0.092 9.456 -7.068 1.00 10.00 C ATOM 220 C VAL A 13 -0.468 10.147 -5.817 1.00 10.00 C ATOM 221 O VAL A 13 -0.292 11.345 -5.617 1.00 10.00 O ATOM 222 CB VAL A 13 -1.000 8.877 -7.981 1.00 10.00 C ATOM 223 CG1 VAL A 13 -1.778 10.026 -8.610 1.00 10.00 C ATOM 224 CG2 VAL A 13 -0.421 8.000 -9.104 1.00 10.00 C ATOM 0 H VAL A 13 0.406 7.565 -6.288 1.00 10.00 H new ATOM 0 HA VAL A 13 0.636 10.215 -7.631 1.00 10.00 H new ATOM 0 HB VAL A 13 -1.645 8.249 -7.367 1.00 10.00 H new ATOM 0 HG11 VAL A 13 -2.556 9.626 -9.260 1.00 10.00 H new ATOM 0 HG12 VAL A 13 -2.235 10.628 -7.825 1.00 10.00 H new ATOM 0 HG13 VAL A 13 -1.100 10.647 -9.195 1.00 10.00 H new ATOM 0 HG21 VAL A 13 -1.233 7.615 -9.721 1.00 10.00 H new ATOM 0 HG22 VAL A 13 0.252 8.596 -9.721 1.00 10.00 H new ATOM 0 HG23 VAL A 13 0.129 7.166 -8.668 1.00 10.00 H new ATOM 234 N CYS A 14 -1.095 9.354 -4.943 1.00 10.00 N ATOM 235 CA CYS A 14 -1.586 9.783 -3.643 1.00 10.00 C ATOM 236 C CYS A 14 -0.466 9.806 -2.595 1.00 10.00 C ATOM 237 O CYS A 14 -0.138 10.849 -2.032 1.00 10.00 O ATOM 238 CB CYS A 14 -2.673 8.830 -3.225 1.00 10.00 C ATOM 239 SG CYS A 14 -4.297 9.262 -3.907 1.00 10.00 S ATOM 0 H CYS A 14 -1.277 8.368 -5.132 1.00 10.00 H new ATOM 0 HA CYS A 14 -1.971 10.800 -3.718 1.00 10.00 H new ATOM 0 HB2 CYS A 14 -2.407 7.822 -3.545 1.00 10.00 H new ATOM 0 HB3 CYS A 14 -2.735 8.813 -2.137 1.00 10.00 H new ATOM 244 N HIS A 15 0.116 8.635 -2.326 1.00 10.00 N ATOM 245 CA HIS A 15 0.954 8.365 -1.161 1.00 10.00 C ATOM 246 C HIS A 15 2.350 9.003 -1.231 1.00 10.00 C ATOM 247 O HIS A 15 3.010 9.162 -0.205 1.00 10.00 O ATOM 248 CB HIS A 15 1.082 6.846 -1.043 1.00 10.00 C ATOM 249 CG HIS A 15 -0.152 6.169 -0.519 1.00 10.00 C ATOM 250 ND1 HIS A 15 -0.364 5.886 0.803 1.00 10.00 N ATOM 251 CD2 HIS A 15 -1.154 5.586 -1.251 1.00 10.00 C ATOM 252 CE1 HIS A 15 -1.452 5.104 0.856 1.00 10.00 C ATOM 253 NE2 HIS A 15 -2.004 4.922 -0.352 1.00 10.00 N ATOM 0 H HIS A 15 0.012 7.823 -2.935 1.00 10.00 H new ATOM 0 HA HIS A 15 0.478 8.813 -0.289 1.00 10.00 H new ATOM 0 HB2 HIS A 15 1.321 6.434 -2.023 1.00 10.00 H new ATOM 0 HB3 HIS A 15 1.920 6.612 -0.386 1.00 10.00 H new ATOM 0 HD1 HIS A 15 0.196 6.207 1.593 1.00 10.00 H new ATOM 0 HD2 HIS A 15 -1.269 5.630 -2.324 1.00 10.00 H new ATOM 0 HE1 HIS A 15 -1.839 4.671 1.767 1.00 10.00 H new ATOM 261 N SER A 16 2.795 9.368 -2.435 1.00 10.00 N ATOM 262 CA SER A 16 4.109 9.968 -2.668 1.00 10.00 C ATOM 263 C SER A 16 4.215 11.341 -1.992 1.00 10.00 C ATOM 264 O SER A 16 5.189 11.649 -1.310 1.00 10.00 O ATOM 265 CB SER A 16 4.350 10.067 -4.179 1.00 10.00 C ATOM 266 OG SER A 16 5.733 10.039 -4.465 1.00 10.00 O ATOM 0 H SER A 16 2.245 9.253 -3.286 1.00 10.00 H new ATOM 0 HA SER A 16 4.880 9.337 -2.225 1.00 10.00 H new ATOM 0 HB2 SER A 16 3.851 9.242 -4.687 1.00 10.00 H new ATOM 0 HB3 SER A 16 3.912 10.989 -4.563 1.00 10.00 H new ATOM 0 HG SER A 16 5.868 10.101 -5.434 1.00 10.00 H new ATOM 272 N MET A 17 3.173 12.156 -2.185 1.00 10.00 N ATOM 273 CA MET A 17 3.053 13.512 -1.655 1.00 10.00 C ATOM 274 C MET A 17 2.080 13.578 -0.459 1.00 10.00 C ATOM 275 O MET A 17 2.210 14.454 0.393 1.00 10.00 O ATOM 276 CB MET A 17 2.582 14.421 -2.799 1.00 10.00 C ATOM 277 CG MET A 17 3.600 14.567 -3.944 1.00 10.00 C ATOM 278 SD MET A 17 4.942 15.756 -3.690 1.00 10.00 S ATOM 279 CE MET A 17 5.562 15.880 -5.378 1.00 10.00 C ATOM 0 H MET A 17 2.361 11.876 -2.736 1.00 10.00 H new ATOM 0 HA MET A 17 4.020 13.844 -1.278 1.00 10.00 H new ATOM 0 HB2 MET A 17 1.650 14.025 -3.203 1.00 10.00 H new ATOM 0 HB3 MET A 17 2.360 15.409 -2.396 1.00 10.00 H new ATOM 0 HG2 MET A 17 4.043 13.589 -4.133 1.00 10.00 H new ATOM 0 HG3 MET A 17 3.059 14.852 -4.846 1.00 10.00 H new ATOM 0 HE1 MET A 17 6.399 16.577 -5.408 1.00 10.00 H new ATOM 0 HE2 MET A 17 5.895 14.899 -5.716 1.00 10.00 H new ATOM 0 HE3 MET A 17 4.767 16.239 -6.032 1.00 10.00 H new ATOM 289 N GLY A 18 1.099 12.667 -0.396 1.00 10.00 N ATOM 290 CA GLY A 18 0.049 12.638 0.623 1.00 10.00 C ATOM 291 C GLY A 18 -1.223 13.359 0.163 1.00 10.00 C ATOM 292 O GLY A 18 -1.738 14.234 0.857 1.00 10.00 O ATOM 0 H GLY A 18 1.015 11.909 -1.074 1.00 10.00 H new ATOM 0 HA2 GLY A 18 -0.190 11.603 0.867 1.00 10.00 H new ATOM 0 HA3 GLY A 18 0.419 13.104 1.537 1.00 10.00 H new ATOM 296 N VAL A 19 -1.744 12.986 -1.013 1.00 10.00 N ATOM 297 CA VAL A 19 -2.949 13.562 -1.612 1.00 10.00 C ATOM 298 C VAL A 19 -4.165 12.687 -1.277 1.00 10.00 C ATOM 299 O VAL A 19 -4.029 11.549 -0.833 1.00 10.00 O ATOM 300 CB VAL A 19 -2.743 13.762 -3.128 1.00 10.00 C ATOM 301 CG1 VAL A 19 -3.922 14.469 -3.813 1.00 10.00 C ATOM 302 CG2 VAL A 19 -1.475 14.584 -3.393 1.00 10.00 C ATOM 0 H VAL A 19 -1.325 12.255 -1.588 1.00 10.00 H new ATOM 0 HA VAL A 19 -3.144 14.549 -1.192 1.00 10.00 H new ATOM 0 HB VAL A 19 -2.657 12.760 -3.549 1.00 10.00 H new ATOM 0 HG11 VAL A 19 -3.712 14.578 -4.877 1.00 10.00 H new ATOM 0 HG12 VAL A 19 -4.828 13.877 -3.680 1.00 10.00 H new ATOM 0 HG13 VAL A 19 -4.064 15.454 -3.368 1.00 10.00 H new ATOM 0 HG21 VAL A 19 -1.345 14.716 -4.467 1.00 10.00 H new ATOM 0 HG22 VAL A 19 -1.568 15.560 -2.916 1.00 10.00 H new ATOM 0 HG23 VAL A 19 -0.610 14.061 -2.984 1.00 10.00 H new ATOM 312 N ALA A 20 -5.366 13.256 -1.410 1.00 10.00 N ATOM 313 CA ALA A 20 -6.642 12.616 -1.081 1.00 10.00 C ATOM 314 C ALA A 20 -6.754 12.175 0.392 1.00 10.00 C ATOM 315 O ALA A 20 -7.604 11.361 0.737 1.00 10.00 O ATOM 316 CB ALA A 20 -6.922 11.468 -2.058 1.00 10.00 C ATOM 0 H ALA A 20 -5.480 14.207 -1.761 1.00 10.00 H new ATOM 0 HA ALA A 20 -7.419 13.371 -1.199 1.00 10.00 H new ATOM 0 HB1 ALA A 20 -7.873 10.999 -1.805 1.00 10.00 H new ATOM 0 HB2 ALA A 20 -6.969 11.859 -3.074 1.00 10.00 H new ATOM 0 HB3 ALA A 20 -6.123 10.729 -1.990 1.00 10.00 H new ATOM 322 N GLY A 21 -5.886 12.707 1.259 1.00 10.00 N ATOM 323 CA GLY A 21 -5.756 12.276 2.648 1.00 10.00 C ATOM 324 C GLY A 21 -5.031 10.931 2.789 1.00 10.00 C ATOM 325 O GLY A 21 -5.245 10.214 3.764 1.00 10.00 O ATOM 0 H GLY A 21 -5.246 13.460 1.008 1.00 10.00 H new ATOM 0 HA2 GLY A 21 -5.214 13.036 3.210 1.00 10.00 H new ATOM 0 HA3 GLY A 21 -6.748 12.197 3.093 1.00 10.00 H new ATOM 329 N ALA A 22 -4.177 10.564 1.825 1.00 10.00 N ATOM 330 CA ALA A 22 -3.456 9.301 1.890 1.00 10.00 C ATOM 331 C ALA A 22 -2.395 9.276 3.002 1.00 10.00 C ATOM 332 O ALA A 22 -1.699 10.267 3.225 1.00 10.00 O ATOM 333 CB ALA A 22 -2.833 8.964 0.535 1.00 10.00 C ATOM 0 H ALA A 22 -3.974 11.125 0.998 1.00 10.00 H new ATOM 0 HA ALA A 22 -4.188 8.534 2.142 1.00 10.00 H new ATOM 0 HB1 ALA A 22 -2.299 8.016 0.606 1.00 10.00 H new ATOM 0 HB2 ALA A 22 -3.618 8.883 -0.216 1.00 10.00 H new ATOM 0 HB3 ALA A 22 -2.137 9.752 0.248 1.00 10.00 H new ATOM 339 N PRO A 23 -2.247 8.128 3.681 1.00 10.00 N ATOM 340 CA PRO A 23 -1.250 7.918 4.721 1.00 10.00 C ATOM 341 C PRO A 23 0.161 7.896 4.124 1.00 10.00 C ATOM 342 O PRO A 23 0.370 7.425 3.000 1.00 10.00 O ATOM 343 CB PRO A 23 -1.628 6.573 5.339 1.00 10.00 C ATOM 344 CG PRO A 23 -2.206 5.823 4.158 1.00 10.00 C ATOM 345 CD PRO A 23 -2.994 6.907 3.442 1.00 10.00 C ATOM 0 HA PRO A 23 -1.238 8.715 5.464 1.00 10.00 H new ATOM 0 HB2 PRO A 23 -0.762 6.062 5.760 1.00 10.00 H new ATOM 0 HB3 PRO A 23 -2.355 6.686 6.144 1.00 10.00 H new ATOM 0 HG2 PRO A 23 -1.427 5.400 3.524 1.00 10.00 H new ATOM 0 HG3 PRO A 23 -2.844 4.997 4.473 1.00 10.00 H new ATOM 0 HD2 PRO A 23 -3.077 6.697 2.376 1.00 10.00 H new ATOM 0 HD3 PRO A 23 -4.009 6.981 3.832 1.00 10.00 H new ATOM 353 N LYS A 24 1.135 8.414 4.874 1.00 10.00 N ATOM 354 CA LYS A 24 2.470 8.679 4.338 1.00 10.00 C ATOM 355 C LYS A 24 3.274 7.391 4.129 1.00 10.00 C ATOM 356 O LYS A 24 3.223 6.470 4.950 1.00 10.00 O ATOM 357 CB LYS A 24 3.254 9.643 5.236 1.00 10.00 C ATOM 358 CG LYS A 24 2.485 10.937 5.540 1.00 10.00 C ATOM 359 CD LYS A 24 3.400 11.936 6.266 1.00 10.00 C ATOM 360 CE LYS A 24 4.230 12.740 5.254 1.00 10.00 C ATOM 361 NZ LYS A 24 5.372 13.419 5.902 1.00 10.00 N ATOM 0 H LYS A 24 1.023 8.659 5.858 1.00 10.00 H new ATOM 0 HA LYS A 24 2.323 9.147 3.365 1.00 10.00 H new ATOM 0 HB2 LYS A 24 3.497 9.142 6.173 1.00 10.00 H new ATOM 0 HB3 LYS A 24 4.199 9.893 4.754 1.00 10.00 H new ATOM 0 HG2 LYS A 24 2.116 11.377 4.613 1.00 10.00 H new ATOM 0 HG3 LYS A 24 1.614 10.715 6.156 1.00 10.00 H new ATOM 0 HD2 LYS A 24 2.799 12.614 6.872 1.00 10.00 H new ATOM 0 HD3 LYS A 24 4.063 11.402 6.947 1.00 10.00 H new ATOM 0 HE2 LYS A 24 4.598 12.074 4.474 1.00 10.00 H new ATOM 0 HE3 LYS A 24 3.594 13.480 4.768 1.00 10.00 H new ATOM 0 HZ1 LYS A 24 5.909 13.952 5.189 1.00 10.00 H new ATOM 0 HZ2 LYS A 24 5.020 14.073 6.630 1.00 10.00 H new ATOM 0 HZ3 LYS A 24 5.992 12.710 6.344 1.00 10.00 H new ATOM 375 N SER A 25 4.071 7.357 3.056 1.00 10.00 N ATOM 376 CA SER A 25 4.982 6.257 2.746 1.00 10.00 C ATOM 377 C SER A 25 5.993 5.973 3.868 1.00 10.00 C ATOM 378 O SER A 25 6.464 4.850 4.002 1.00 10.00 O ATOM 379 CB SER A 25 5.706 6.559 1.432 1.00 10.00 C ATOM 380 OG SER A 25 6.451 7.754 1.581 1.00 10.00 O ATOM 0 H SER A 25 4.099 8.109 2.367 1.00 10.00 H new ATOM 0 HA SER A 25 4.382 5.352 2.647 1.00 10.00 H new ATOM 0 HB2 SER A 25 6.367 5.734 1.168 1.00 10.00 H new ATOM 0 HB3 SER A 25 4.986 6.663 0.620 1.00 10.00 H new ATOM 0 HG SER A 25 6.920 7.954 0.744 1.00 10.00 H new ATOM 386 N HIS A 26 6.317 6.976 4.688 1.00 10.00 N ATOM 387 CA HIS A 26 7.121 6.820 5.892 1.00 10.00 C ATOM 388 C HIS A 26 6.440 7.556 7.058 1.00 10.00 C ATOM 389 O HIS A 26 6.418 8.785 7.125 1.00 10.00 O ATOM 390 CB HIS A 26 8.572 7.257 5.626 1.00 10.00 C ATOM 391 CG HIS A 26 8.757 8.744 5.473 1.00 10.00 C ATOM 392 ND1 HIS A 26 9.165 9.594 6.476 1.00 10.00 N ATOM 393 CD2 HIS A 26 8.336 9.517 4.423 1.00 10.00 C ATOM 394 CE1 HIS A 26 8.994 10.851 6.036 1.00 10.00 C ATOM 395 NE2 HIS A 26 8.483 10.859 4.795 1.00 10.00 N ATOM 0 H HIS A 26 6.019 7.938 4.526 1.00 10.00 H new ATOM 0 HA HIS A 26 7.184 5.771 6.183 1.00 10.00 H new ATOM 0 HB2 HIS A 26 9.200 6.908 6.446 1.00 10.00 H new ATOM 0 HB3 HIS A 26 8.927 6.764 4.721 1.00 10.00 H new ATOM 0 HD2 HIS A 26 7.958 9.156 3.478 1.00 10.00 H new ATOM 0 HE1 HIS A 26 9.235 11.737 6.605 1.00 10.00 H new ATOM 0 HE2 HIS A 26 8.249 11.679 4.235 1.00 10.00 H new ATOM 403 N ASN A 27 5.837 6.796 7.968 1.00 10.00 N ATOM 404 CA ASN A 27 5.258 7.283 9.207 1.00 10.00 C ATOM 405 C ASN A 27 5.440 6.173 10.251 1.00 10.00 C ATOM 406 O ASN A 27 5.574 5.009 9.880 1.00 10.00 O ATOM 407 CB ASN A 27 3.760 7.571 8.982 1.00 10.00 C ATOM 408 CG ASN A 27 3.369 9.042 8.908 1.00 10.00 C ATOM 409 OD1 ASN A 27 4.116 9.930 9.298 1.00 10.00 O ATOM 410 ND2 ASN A 27 2.161 9.338 8.437 1.00 10.00 N ATOM 0 H ASN A 27 5.737 5.787 7.854 1.00 10.00 H new ATOM 0 HA ASN A 27 5.737 8.203 9.544 1.00 10.00 H new ATOM 0 HB2 ASN A 27 3.452 7.086 8.056 1.00 10.00 H new ATOM 0 HB3 ASN A 27 3.195 7.105 9.789 1.00 10.00 H new ATOM 0 HD21 ASN A 27 1.852 10.309 8.399 1.00 10.00 H new ATOM 0 HD22 ASN A 27 1.543 8.594 8.114 1.00 10.00 H new ATOM 417 N THR A 28 5.410 6.515 11.544 1.00 10.00 N ATOM 418 CA THR A 28 5.291 5.497 12.595 1.00 10.00 C ATOM 419 C THR A 28 3.872 5.473 13.174 1.00 10.00 C ATOM 420 O THR A 28 3.281 4.410 13.288 1.00 10.00 O ATOM 421 CB THR A 28 6.365 5.744 13.668 1.00 10.00 C ATOM 422 OG1 THR A 28 6.454 4.649 14.549 1.00 10.00 O ATOM 423 CG2 THR A 28 6.158 7.028 14.477 1.00 10.00 C ATOM 0 H THR A 28 5.466 7.475 11.885 1.00 10.00 H new ATOM 0 HA THR A 28 5.464 4.508 12.171 1.00 10.00 H new ATOM 0 HB THR A 28 7.297 5.865 13.116 1.00 10.00 H new ATOM 0 HG1 THR A 28 5.710 4.681 15.186 1.00 10.00 H new ATOM 0 HG21 THR A 28 6.957 7.128 15.212 1.00 10.00 H new ATOM 0 HG22 THR A 28 6.172 7.887 13.806 1.00 10.00 H new ATOM 0 HG23 THR A 28 5.197 6.984 14.990 1.00 10.00 H new ATOM 431 N ALA A 29 3.212 6.629 13.300 1.00 10.00 N ATOM 432 CA ALA A 29 1.886 6.712 13.918 1.00 10.00 C ATOM 433 C ALA A 29 0.738 6.283 12.992 1.00 10.00 C ATOM 434 O ALA A 29 -0.359 5.974 13.444 1.00 10.00 O ATOM 435 CB ALA A 29 1.672 8.141 14.396 1.00 10.00 C ATOM 0 H ALA A 29 3.578 7.525 12.980 1.00 10.00 H new ATOM 0 HA ALA A 29 1.866 6.007 14.749 1.00 10.00 H new ATOM 0 HB1 ALA A 29 0.689 8.226 14.860 1.00 10.00 H new ATOM 0 HB2 ALA A 29 2.441 8.400 15.124 1.00 10.00 H new ATOM 0 HB3 ALA A 29 1.732 8.822 13.547 1.00 10.00 H new ATOM 441 N ASP A 30 0.997 6.276 11.686 1.00 10.00 N ATOM 442 CA ASP A 30 0.062 5.896 10.638 1.00 10.00 C ATOM 443 C ASP A 30 0.161 4.386 10.352 1.00 10.00 C ATOM 444 O ASP A 30 -0.769 3.753 9.860 1.00 10.00 O ATOM 445 CB ASP A 30 0.474 6.753 9.446 1.00 10.00 C ATOM 446 CG ASP A 30 -0.549 6.946 8.363 1.00 10.00 C ATOM 447 OD1 ASP A 30 -1.614 6.277 8.402 1.00 10.00 O ATOM 448 OD2 ASP A 30 -0.163 7.778 7.508 1.00 10.00 O ATOM 0 H ASP A 30 1.908 6.548 11.316 1.00 10.00 H new ATOM 0 HA ASP A 30 -0.982 6.064 10.902 1.00 10.00 H new ATOM 0 HB2 ASP A 30 0.764 7.736 9.818 1.00 10.00 H new ATOM 0 HB3 ASP A 30 1.362 6.307 8.998 1.00 10.00 H new ATOM 453 N TRP A 31 1.307 3.793 10.689 1.00 10.00 N ATOM 454 CA TRP A 31 1.584 2.375 10.536 1.00 10.00 C ATOM 455 C TRP A 31 1.355 1.629 11.871 1.00 10.00 C ATOM 456 O TRP A 31 0.850 0.508 11.860 1.00 10.00 O ATOM 457 CB TRP A 31 2.978 2.226 9.894 1.00 10.00 C ATOM 458 CG TRP A 31 3.138 2.858 8.525 1.00 10.00 C ATOM 459 CD1 TRP A 31 3.208 4.188 8.287 1.00 10.00 C ATOM 460 CD2 TRP A 31 3.230 2.241 7.199 1.00 10.00 C ATOM 461 NE1 TRP A 31 3.277 4.448 6.939 1.00 10.00 N ATOM 462 CE2 TRP A 31 3.295 3.283 6.221 1.00 10.00 C ATOM 463 CE3 TRP A 31 3.237 0.915 6.707 1.00 10.00 C ATOM 464 CZ2 TRP A 31 3.310 3.041 4.846 1.00 10.00 C ATOM 465 CZ3 TRP A 31 3.299 0.663 5.322 1.00 10.00 C ATOM 466 CH2 TRP A 31 3.230 1.717 4.400 1.00 10.00 C ATOM 0 H TRP A 31 2.091 4.309 11.089 1.00 10.00 H new ATOM 0 HA TRP A 31 0.887 1.886 9.855 1.00 10.00 H new ATOM 0 HB2 TRP A 31 3.717 2.664 10.565 1.00 10.00 H new ATOM 0 HB3 TRP A 31 3.210 1.164 9.814 1.00 10.00 H new ATOM 0 HD1 TRP A 31 3.209 4.946 9.056 1.00 10.00 H new ATOM 0 HE1 TRP A 31 3.310 5.382 6.530 1.00 10.00 H new ATOM 0 HE3 TRP A 31 3.194 0.087 7.400 1.00 10.00 H new ATOM 0 HZ2 TRP A 31 3.382 3.857 4.142 1.00 10.00 H new ATOM 0 HZ3 TRP A 31 3.401 -0.352 4.967 1.00 10.00 H new ATOM 0 HH2 TRP A 31 3.115 1.507 3.347 1.00 10.00 H new ATOM 477 N GLU A 32 1.602 2.262 13.028 1.00 10.00 N ATOM 478 CA GLU A 32 1.284 1.735 14.362 1.00 10.00 C ATOM 479 C GLU A 32 -0.113 1.094 14.483 1.00 10.00 C ATOM 480 O GLU A 32 -0.200 -0.095 14.787 1.00 10.00 O ATOM 481 CB GLU A 32 1.502 2.843 15.408 1.00 10.00 C ATOM 482 CG GLU A 32 2.948 2.871 15.941 1.00 10.00 C ATOM 483 CD GLU A 32 3.311 4.223 16.533 1.00 10.00 C ATOM 484 OE1 GLU A 32 2.451 4.793 17.235 1.00 10.00 O ATOM 485 OE2 GLU A 32 4.436 4.682 16.250 1.00 10.00 O ATOM 0 H GLU A 32 2.042 3.182 13.061 1.00 10.00 H new ATOM 0 HA GLU A 32 1.968 0.907 14.549 1.00 10.00 H new ATOM 0 HB2 GLU A 32 1.262 3.810 14.965 1.00 10.00 H new ATOM 0 HB3 GLU A 32 0.814 2.694 16.240 1.00 10.00 H new ATOM 0 HG2 GLU A 32 3.069 2.098 16.700 1.00 10.00 H new ATOM 0 HG3 GLU A 32 3.638 2.633 15.131 1.00 10.00 H new ATOM 492 N PRO A 33 -1.217 1.813 14.201 1.00 10.00 N ATOM 493 CA PRO A 33 -2.564 1.259 14.296 1.00 10.00 C ATOM 494 C PRO A 33 -2.900 0.257 13.174 1.00 10.00 C ATOM 495 O PRO A 33 -4.041 -0.187 13.069 1.00 10.00 O ATOM 496 CB PRO A 33 -3.497 2.477 14.280 1.00 10.00 C ATOM 497 CG PRO A 33 -2.724 3.505 13.459 1.00 10.00 C ATOM 498 CD PRO A 33 -1.271 3.216 13.831 1.00 10.00 C ATOM 0 HA PRO A 33 -2.674 0.667 15.205 1.00 10.00 H new ATOM 0 HB2 PRO A 33 -4.459 2.240 13.825 1.00 10.00 H new ATOM 0 HB3 PRO A 33 -3.702 2.839 15.287 1.00 10.00 H new ATOM 0 HG2 PRO A 33 -2.899 3.383 12.390 1.00 10.00 H new ATOM 0 HG3 PRO A 33 -3.011 4.525 13.715 1.00 10.00 H new ATOM 0 HD2 PRO A 33 -0.606 3.423 12.992 1.00 10.00 H new ATOM 0 HD3 PRO A 33 -0.948 3.849 14.657 1.00 10.00 H new ATOM 506 N ARG A 34 -1.920 -0.107 12.337 1.00 10.00 N ATOM 507 CA ARG A 34 -2.041 -1.066 11.246 1.00 10.00 C ATOM 508 C ARG A 34 -1.231 -2.333 11.605 1.00 10.00 C ATOM 509 O ARG A 34 -1.725 -3.456 11.500 1.00 10.00 O ATOM 510 CB ARG A 34 -1.583 -0.383 9.941 1.00 10.00 C ATOM 511 CG ARG A 34 -2.139 1.047 9.750 1.00 10.00 C ATOM 512 CD ARG A 34 -3.598 1.090 9.286 1.00 10.00 C ATOM 513 NE ARG A 34 -4.354 2.234 9.847 1.00 10.00 N ATOM 514 CZ ARG A 34 -4.227 3.551 9.597 1.00 10.00 C ATOM 515 NH1 ARG A 34 -3.168 4.069 8.983 1.00 10.00 N ATOM 516 NH2 ARG A 34 -5.195 4.365 10.002 1.00 10.00 N ATOM 0 H ARG A 34 -0.979 0.281 12.411 1.00 10.00 H new ATOM 0 HA ARG A 34 -3.071 -1.387 11.092 1.00 10.00 H new ATOM 0 HB2 ARG A 34 -0.494 -0.343 9.927 1.00 10.00 H new ATOM 0 HB3 ARG A 34 -1.890 -0.997 9.095 1.00 10.00 H new ATOM 0 HG2 ARG A 34 -2.052 1.589 10.692 1.00 10.00 H new ATOM 0 HG3 ARG A 34 -1.521 1.572 9.022 1.00 10.00 H new ATOM 0 HD2 ARG A 34 -3.625 1.143 8.198 1.00 10.00 H new ATOM 0 HD3 ARG A 34 -4.091 0.161 9.572 1.00 10.00 H new ATOM 0 HE ARG A 34 -5.078 1.988 10.522 1.00 10.00 H new ATOM 0 HH11 ARG A 34 -2.407 3.462 8.679 1.00 10.00 H new ATOM 0 HH12 ARG A 34 -3.117 5.074 8.815 1.00 10.00 H new ATOM 0 HH21 ARG A 34 -6.008 3.988 10.489 1.00 10.00 H new ATOM 0 HH22 ARG A 34 -5.125 5.367 9.826 1.00 10.00 H new ATOM 530 N LEU A 35 -0.025 -2.144 12.160 1.00 10.00 N ATOM 531 CA LEU A 35 0.828 -3.174 12.765 1.00 10.00 C ATOM 532 C LEU A 35 0.248 -3.803 14.045 1.00 10.00 C ATOM 533 O LEU A 35 0.877 -4.675 14.638 1.00 10.00 O ATOM 534 CB LEU A 35 2.218 -2.567 13.070 1.00 10.00 C ATOM 535 CG LEU A 35 3.323 -3.075 12.128 1.00 10.00 C ATOM 536 CD1 LEU A 35 3.924 -1.904 11.344 1.00 10.00 C ATOM 537 CD2 LEU A 35 4.403 -3.823 12.914 1.00 10.00 C ATOM 0 H LEU A 35 0.403 -1.219 12.200 1.00 10.00 H new ATOM 0 HA LEU A 35 0.898 -3.983 12.038 1.00 10.00 H new ATOM 0 HB2 LEU A 35 2.157 -1.481 12.995 1.00 10.00 H new ATOM 0 HB3 LEU A 35 2.491 -2.801 14.099 1.00 10.00 H new ATOM 0 HG LEU A 35 2.884 -3.776 11.418 1.00 10.00 H new ATOM 0 HD11 LEU A 35 4.705 -2.274 10.680 1.00 10.00 H new ATOM 0 HD12 LEU A 35 3.144 -1.423 10.754 1.00 10.00 H new ATOM 0 HD13 LEU A 35 4.351 -1.181 12.040 1.00 10.00 H new ATOM 0 HD21 LEU A 35 5.175 -4.174 12.229 1.00 10.00 H new ATOM 0 HD22 LEU A 35 4.848 -3.153 13.649 1.00 10.00 H new ATOM 0 HD23 LEU A 35 3.956 -4.676 13.425 1.00 10.00 H new ATOM 549 N ALA A 36 -0.959 -3.406 14.457 1.00 10.00 N ATOM 550 CA ALA A 36 -1.656 -3.948 15.617 1.00 10.00 C ATOM 551 C ALA A 36 -2.693 -4.996 15.184 1.00 10.00 C ATOM 552 O ALA A 36 -3.573 -5.367 15.959 1.00 10.00 O ATOM 553 CB ALA A 36 -2.292 -2.785 16.382 1.00 10.00 C ATOM 0 H ALA A 36 -1.489 -2.679 13.977 1.00 10.00 H new ATOM 0 HA ALA A 36 -0.957 -4.462 16.277 1.00 10.00 H new ATOM 0 HB1 ALA A 36 -2.819 -3.169 17.255 1.00 10.00 H new ATOM 0 HB2 ALA A 36 -1.514 -2.092 16.703 1.00 10.00 H new ATOM 0 HB3 ALA A 36 -2.996 -2.264 15.733 1.00 10.00 H new ATOM 559 N LYS A 37 -2.593 -5.459 13.932 1.00 10.00 N ATOM 560 CA LYS A 37 -3.390 -6.539 13.374 1.00 10.00 C ATOM 561 C LYS A 37 -2.486 -7.631 12.791 1.00 10.00 C ATOM 562 O LYS A 37 -2.521 -8.778 13.225 1.00 10.00 O ATOM 563 CB LYS A 37 -4.326 -5.982 12.292 1.00 10.00 C ATOM 564 CG LYS A 37 -5.475 -5.128 12.833 1.00 10.00 C ATOM 565 CD LYS A 37 -6.338 -5.918 13.828 1.00 10.00 C ATOM 566 CE LYS A 37 -7.794 -5.440 13.787 1.00 10.00 C ATOM 567 NZ LYS A 37 -8.470 -5.662 15.082 1.00 10.00 N ATOM 0 H LYS A 37 -1.928 -5.072 13.262 1.00 10.00 H new ATOM 0 HA LYS A 37 -3.989 -6.985 14.168 1.00 10.00 H new ATOM 0 HB2 LYS A 37 -3.740 -5.383 11.595 1.00 10.00 H new ATOM 0 HB3 LYS A 37 -4.743 -6.814 11.725 1.00 10.00 H new ATOM 0 HG2 LYS A 37 -5.072 -4.241 13.322 1.00 10.00 H new ATOM 0 HG3 LYS A 37 -6.095 -4.782 12.006 1.00 10.00 H new ATOM 0 HD2 LYS A 37 -6.293 -6.981 13.591 1.00 10.00 H new ATOM 0 HD3 LYS A 37 -5.940 -5.799 14.836 1.00 10.00 H new ATOM 0 HE2 LYS A 37 -7.824 -4.380 13.536 1.00 10.00 H new ATOM 0 HE3 LYS A 37 -8.330 -5.969 12.999 1.00 10.00 H new ATOM 0 HZ1 LYS A 37 -9.453 -5.328 15.022 1.00 10.00 H new ATOM 0 HZ2 LYS A 37 -8.462 -6.677 15.308 1.00 10.00 H new ATOM 0 HZ3 LYS A 37 -7.971 -5.137 15.828 1.00 10.00 H new ATOM 581 N GLY A 38 -1.694 -7.263 11.781 1.00 10.00 N ATOM 582 CA GLY A 38 -0.801 -8.175 11.077 1.00 10.00 C ATOM 583 C GLY A 38 -0.188 -7.483 9.858 1.00 10.00 C ATOM 584 O GLY A 38 0.370 -6.396 9.986 1.00 10.00 O ATOM 0 H GLY A 38 -1.658 -6.307 11.427 1.00 10.00 H new ATOM 0 HA2 GLY A 38 -0.011 -8.511 11.748 1.00 10.00 H new ATOM 0 HA3 GLY A 38 -1.351 -9.062 10.762 1.00 10.00 H new ATOM 588 N VAL A 39 -0.337 -8.088 8.677 1.00 10.00 N ATOM 589 CA VAL A 39 0.203 -7.571 7.419 1.00 10.00 C ATOM 590 C VAL A 39 -0.719 -7.921 6.255 1.00 10.00 C ATOM 591 O VAL A 39 -1.248 -7.032 5.581 1.00 10.00 O ATOM 592 CB VAL A 39 1.642 -8.073 7.172 1.00 10.00 C ATOM 593 CG1 VAL A 39 2.599 -6.895 7.345 1.00 10.00 C ATOM 594 CG2 VAL A 39 2.086 -9.218 8.094 1.00 10.00 C ATOM 0 H VAL A 39 -0.845 -8.966 8.567 1.00 10.00 H new ATOM 0 HA VAL A 39 0.252 -6.485 7.495 1.00 10.00 H new ATOM 0 HB VAL A 39 1.661 -8.479 6.161 1.00 10.00 H new ATOM 0 HG11 VAL A 39 3.622 -7.229 7.174 1.00 10.00 H new ATOM 0 HG12 VAL A 39 2.348 -6.114 6.627 1.00 10.00 H new ATOM 0 HG13 VAL A 39 2.510 -6.500 8.357 1.00 10.00 H new ATOM 0 HG21 VAL A 39 3.108 -9.506 7.850 1.00 10.00 H new ATOM 0 HG22 VAL A 39 2.040 -8.888 9.132 1.00 10.00 H new ATOM 0 HG23 VAL A 39 1.425 -10.074 7.956 1.00 10.00 H new ATOM 604 N ASP A 40 -1.015 -9.211 6.075 1.00 10.00 N ATOM 605 CA ASP A 40 -1.883 -9.739 5.027 1.00 10.00 C ATOM 606 C ASP A 40 -3.375 -9.372 5.202 1.00 10.00 C ATOM 607 O ASP A 40 -4.258 -10.076 4.717 1.00 10.00 O ATOM 608 CB ASP A 40 -1.710 -11.264 4.947 1.00 10.00 C ATOM 609 CG ASP A 40 -0.296 -11.772 5.183 1.00 10.00 C ATOM 610 OD1 ASP A 40 0.210 -11.520 6.299 1.00 10.00 O ATOM 611 OD2 ASP A 40 0.248 -12.394 4.247 1.00 10.00 O ATOM 0 H ASP A 40 -0.641 -9.942 6.680 1.00 10.00 H new ATOM 0 HA ASP A 40 -1.574 -9.268 4.094 1.00 10.00 H new ATOM 0 HB2 ASP A 40 -2.371 -11.727 5.679 1.00 10.00 H new ATOM 0 HB3 ASP A 40 -2.039 -11.599 3.963 1.00 10.00 H new ATOM 616 N ASN A 41 -3.658 -8.254 5.872 1.00 10.00 N ATOM 617 CA ASN A 41 -4.985 -7.701 6.106 1.00 10.00 C ATOM 618 C ASN A 41 -5.167 -6.533 5.133 1.00 10.00 C ATOM 619 O ASN A 41 -6.156 -6.428 4.411 1.00 10.00 O ATOM 620 CB ASN A 41 -5.111 -7.200 7.564 1.00 10.00 C ATOM 621 CG ASN A 41 -4.087 -7.763 8.542 1.00 10.00 C ATOM 622 OD1 ASN A 41 -3.449 -6.883 9.293 1.00 10.00 O flip ATOM 623 ND2 ASN A 41 -3.860 -8.961 8.648 1.00 10.00 N flip ATOM 0 H ASN A 41 -2.924 -7.681 6.288 1.00 10.00 H new ATOM 0 HA ASN A 41 -5.750 -8.462 5.948 1.00 10.00 H new ATOM 0 HB2 ASN A 41 -5.029 -6.113 7.565 1.00 10.00 H new ATOM 0 HB3 ASN A 41 -6.109 -7.444 7.929 1.00 10.00 H new ATOM 0 HD21 ASN A 41 -4.360 -9.629 8.061 1.00 10.00 H new ATOM 0 HD22 ASN A 41 -3.170 -9.292 9.323 1.00 10.00 H new ATOM 630 N LEU A 42 -4.169 -5.650 5.099 1.00 10.00 N ATOM 631 CA LEU A 42 -4.244 -4.403 4.361 1.00 10.00 C ATOM 632 C LEU A 42 -3.968 -4.639 2.873 1.00 10.00 C ATOM 633 O LEU A 42 -4.640 -4.059 2.029 1.00 10.00 O ATOM 634 CB LEU A 42 -3.328 -3.372 5.024 1.00 10.00 C ATOM 635 CG LEU A 42 -3.744 -3.152 6.496 1.00 10.00 C ATOM 636 CD1 LEU A 42 -2.692 -3.690 7.473 1.00 10.00 C ATOM 637 CD2 LEU A 42 -3.992 -1.673 6.796 1.00 10.00 C ATOM 0 H LEU A 42 -3.284 -5.787 5.587 1.00 10.00 H new ATOM 0 HA LEU A 42 -5.252 -3.991 4.397 1.00 10.00 H new ATOM 0 HB2 LEU A 42 -2.293 -3.712 4.978 1.00 10.00 H new ATOM 0 HB3 LEU A 42 -3.378 -2.429 4.480 1.00 10.00 H new ATOM 0 HG LEU A 42 -4.672 -3.706 6.635 1.00 10.00 H new ATOM 0 HD11 LEU A 42 -3.023 -3.515 8.497 1.00 10.00 H new ATOM 0 HD12 LEU A 42 -2.559 -4.760 7.312 1.00 10.00 H new ATOM 0 HD13 LEU A 42 -1.745 -3.178 7.306 1.00 10.00 H new ATOM 0 HD21 LEU A 42 -4.283 -1.557 7.840 1.00 10.00 H new ATOM 0 HD22 LEU A 42 -3.080 -1.106 6.608 1.00 10.00 H new ATOM 0 HD23 LEU A 42 -4.790 -1.300 6.154 1.00 10.00 H new ATOM 649 N VAL A 43 -3.072 -5.579 2.540 1.00 10.00 N ATOM 650 CA VAL A 43 -2.829 -6.055 1.183 1.00 10.00 C ATOM 651 C VAL A 43 -4.095 -6.652 0.535 1.00 10.00 C ATOM 652 O VAL A 43 -4.247 -6.671 -0.684 1.00 10.00 O ATOM 653 CB VAL A 43 -1.642 -7.019 1.165 1.00 10.00 C ATOM 654 CG1 VAL A 43 -2.055 -8.430 1.554 1.00 10.00 C ATOM 655 CG2 VAL A 43 -1.016 -7.048 -0.235 1.00 10.00 C ATOM 0 H VAL A 43 -2.482 -6.039 3.233 1.00 10.00 H new ATOM 0 HA VAL A 43 -2.567 -5.197 0.564 1.00 10.00 H new ATOM 0 HB VAL A 43 -0.917 -6.661 1.896 1.00 10.00 H new ATOM 0 HG11 VAL A 43 -1.183 -9.084 1.529 1.00 10.00 H new ATOM 0 HG12 VAL A 43 -2.474 -8.422 2.560 1.00 10.00 H new ATOM 0 HG13 VAL A 43 -2.804 -8.796 0.852 1.00 10.00 H new ATOM 0 HG21 VAL A 43 -0.171 -7.736 -0.242 1.00 10.00 H new ATOM 0 HG22 VAL A 43 -1.760 -7.380 -0.959 1.00 10.00 H new ATOM 0 HG23 VAL A 43 -0.672 -6.048 -0.500 1.00 10.00 H new ATOM 665 N LYS A 44 -5.039 -7.107 1.359 1.00 10.00 N ATOM 666 CA LYS A 44 -6.358 -7.526 0.896 1.00 10.00 C ATOM 667 C LYS A 44 -7.272 -6.312 0.634 1.00 10.00 C ATOM 668 O LYS A 44 -7.913 -6.242 -0.413 1.00 10.00 O ATOM 669 CB LYS A 44 -6.971 -8.525 1.890 1.00 10.00 C ATOM 670 CG LYS A 44 -6.021 -9.681 2.249 1.00 10.00 C ATOM 671 CD LYS A 44 -5.793 -10.689 1.109 1.00 10.00 C ATOM 672 CE LYS A 44 -4.315 -10.809 0.699 1.00 10.00 C ATOM 673 NZ LYS A 44 -3.973 -12.133 0.136 1.00 10.00 N ATOM 0 H LYS A 44 -4.909 -7.195 2.367 1.00 10.00 H new ATOM 0 HA LYS A 44 -6.252 -8.037 -0.061 1.00 10.00 H new ATOM 0 HB2 LYS A 44 -7.250 -7.996 2.801 1.00 10.00 H new ATOM 0 HB3 LYS A 44 -7.888 -8.935 1.465 1.00 10.00 H new ATOM 0 HG2 LYS A 44 -5.059 -9.266 2.549 1.00 10.00 H new ATOM 0 HG3 LYS A 44 -6.423 -10.211 3.113 1.00 10.00 H new ATOM 0 HD2 LYS A 44 -6.159 -11.668 1.418 1.00 10.00 H new ATOM 0 HD3 LYS A 44 -6.381 -10.388 0.242 1.00 10.00 H new ATOM 0 HE2 LYS A 44 -4.085 -10.038 -0.036 1.00 10.00 H new ATOM 0 HE3 LYS A 44 -3.687 -10.618 1.569 1.00 10.00 H new ATOM 0 HZ1 LYS A 44 -3.394 -12.662 0.819 1.00 10.00 H new ATOM 0 HZ2 LYS A 44 -4.846 -12.662 -0.061 1.00 10.00 H new ATOM 0 HZ3 LYS A 44 -3.438 -12.007 -0.747 1.00 10.00 H new ATOM 687 N SER A 45 -7.302 -5.325 1.540 1.00 10.00 N ATOM 688 CA SER A 45 -8.115 -4.114 1.389 1.00 10.00 C ATOM 689 C SER A 45 -7.656 -3.317 0.171 1.00 10.00 C ATOM 690 O SER A 45 -8.467 -2.831 -0.611 1.00 10.00 O ATOM 691 CB SER A 45 -8.047 -3.236 2.650 1.00 10.00 C ATOM 692 OG SER A 45 -9.288 -3.273 3.331 1.00 10.00 O ATOM 0 H SER A 45 -6.759 -5.346 2.403 1.00 10.00 H new ATOM 0 HA SER A 45 -9.151 -4.422 1.245 1.00 10.00 H new ATOM 0 HB2 SER A 45 -7.251 -3.588 3.307 1.00 10.00 H new ATOM 0 HB3 SER A 45 -7.803 -2.210 2.376 1.00 10.00 H new ATOM 0 HG SER A 45 -9.237 -2.713 4.134 1.00 10.00 H new ATOM 698 N VAL A 46 -6.342 -3.211 -0.011 1.00 10.00 N ATOM 699 CA VAL A 46 -5.755 -2.475 -1.119 1.00 10.00 C ATOM 700 C VAL A 46 -6.114 -3.124 -2.453 1.00 10.00 C ATOM 701 O VAL A 46 -6.596 -2.453 -3.366 1.00 10.00 O ATOM 702 CB VAL A 46 -4.240 -2.322 -0.900 1.00 10.00 C ATOM 703 CG1 VAL A 46 -3.526 -3.655 -1.010 1.00 10.00 C ATOM 704 CG2 VAL A 46 -3.515 -1.476 -1.926 1.00 10.00 C ATOM 0 H VAL A 46 -5.654 -3.637 0.611 1.00 10.00 H new ATOM 0 HA VAL A 46 -6.173 -1.469 -1.156 1.00 10.00 H new ATOM 0 HB VAL A 46 -4.201 -1.858 0.086 1.00 10.00 H new ATOM 0 HG11 VAL A 46 -2.458 -3.510 -0.850 1.00 10.00 H new ATOM 0 HG12 VAL A 46 -3.916 -4.340 -0.257 1.00 10.00 H new ATOM 0 HG13 VAL A 46 -3.690 -4.075 -2.002 1.00 10.00 H new ATOM 0 HG21 VAL A 46 -2.454 -1.433 -1.678 1.00 10.00 H new ATOM 0 HG22 VAL A 46 -3.639 -1.917 -2.915 1.00 10.00 H new ATOM 0 HG23 VAL A 46 -3.929 -0.468 -1.924 1.00 10.00 H new ATOM 714 N LYS A 47 -5.942 -4.447 -2.549 1.00 10.00 N ATOM 715 CA LYS A 47 -6.303 -5.163 -3.758 1.00 10.00 C ATOM 716 C LYS A 47 -7.812 -5.059 -4.008 1.00 10.00 C ATOM 717 O LYS A 47 -8.262 -5.019 -5.149 1.00 10.00 O ATOM 718 CB LYS A 47 -5.715 -6.585 -3.748 1.00 10.00 C ATOM 719 CG LYS A 47 -6.641 -7.748 -3.366 1.00 10.00 C ATOM 720 CD LYS A 47 -7.693 -7.979 -4.461 1.00 10.00 C ATOM 721 CE LYS A 47 -8.150 -9.436 -4.606 1.00 10.00 C ATOM 722 NZ LYS A 47 -9.602 -9.556 -4.348 1.00 10.00 N ATOM 0 H LYS A 47 -5.558 -5.031 -1.806 1.00 10.00 H new ATOM 0 HA LYS A 47 -5.847 -4.695 -4.631 1.00 10.00 H new ATOM 0 HB2 LYS A 47 -5.317 -6.788 -4.742 1.00 10.00 H new ATOM 0 HB3 LYS A 47 -4.870 -6.592 -3.059 1.00 10.00 H new ATOM 0 HG2 LYS A 47 -6.054 -8.655 -3.220 1.00 10.00 H new ATOM 0 HG3 LYS A 47 -7.135 -7.532 -2.419 1.00 10.00 H new ATOM 0 HD2 LYS A 47 -8.563 -7.358 -4.248 1.00 10.00 H new ATOM 0 HD3 LYS A 47 -7.287 -7.642 -5.415 1.00 10.00 H new ATOM 0 HE2 LYS A 47 -7.923 -9.796 -5.610 1.00 10.00 H new ATOM 0 HE3 LYS A 47 -7.598 -10.067 -3.909 1.00 10.00 H new ATOM 0 HZ1 LYS A 47 -9.892 -10.549 -4.451 1.00 10.00 H new ATOM 0 HZ2 LYS A 47 -9.811 -9.233 -3.382 1.00 10.00 H new ATOM 0 HZ3 LYS A 47 -10.125 -8.970 -5.030 1.00 10.00 H new ATOM 736 N THR A 48 -8.607 -5.026 -2.936 1.00 10.00 N ATOM 737 CA THR A 48 -10.055 -4.830 -3.019 1.00 10.00 C ATOM 738 C THR A 48 -10.443 -3.384 -3.366 1.00 10.00 C ATOM 739 O THR A 48 -11.481 -3.180 -3.993 1.00 10.00 O ATOM 740 CB THR A 48 -10.707 -5.316 -1.714 1.00 10.00 C ATOM 741 OG1 THR A 48 -10.684 -6.733 -1.703 1.00 10.00 O ATOM 742 CG2 THR A 48 -12.160 -4.868 -1.544 1.00 10.00 C ATOM 0 H THR A 48 -8.262 -5.135 -1.982 1.00 10.00 H new ATOM 0 HA THR A 48 -10.436 -5.428 -3.847 1.00 10.00 H new ATOM 0 HB THR A 48 -10.136 -4.878 -0.896 1.00 10.00 H new ATOM 0 HG1 THR A 48 -9.841 -7.043 -1.312 1.00 10.00 H new ATOM 0 HG21 THR A 48 -12.550 -5.250 -0.601 1.00 10.00 H new ATOM 0 HG22 THR A 48 -12.207 -3.779 -1.542 1.00 10.00 H new ATOM 0 HG23 THR A 48 -12.759 -5.256 -2.368 1.00 10.00 H new ATOM 750 N GLY A 49 -9.634 -2.383 -2.998 1.00 10.00 N ATOM 751 CA GLY A 49 -9.981 -0.976 -3.134 1.00 10.00 C ATOM 752 C GLY A 49 -10.735 -0.473 -1.903 1.00 10.00 C ATOM 753 O GLY A 49 -11.807 -0.970 -1.569 1.00 10.00 O ATOM 0 H GLY A 49 -8.710 -2.537 -2.593 1.00 10.00 H new ATOM 0 HA2 GLY A 49 -9.075 -0.387 -3.275 1.00 10.00 H new ATOM 0 HA3 GLY A 49 -10.595 -0.834 -4.023 1.00 10.00 H new ATOM 757 N LEU A 50 -10.156 0.521 -1.229 1.00 10.00 N ATOM 758 CA LEU A 50 -10.798 1.248 -0.140 1.00 10.00 C ATOM 759 C LEU A 50 -11.795 2.291 -0.706 1.00 10.00 C ATOM 760 O LEU A 50 -12.410 2.058 -1.743 1.00 10.00 O ATOM 761 CB LEU A 50 -9.676 1.836 0.728 1.00 10.00 C ATOM 762 CG LEU A 50 -10.046 2.029 2.204 1.00 10.00 C ATOM 763 CD1 LEU A 50 -9.919 0.720 2.992 1.00 10.00 C ATOM 764 CD2 LEU A 50 -9.093 3.078 2.774 1.00 10.00 C ATOM 0 H LEU A 50 -9.211 0.847 -1.430 1.00 10.00 H new ATOM 0 HA LEU A 50 -11.408 0.603 0.492 1.00 10.00 H new ATOM 0 HB2 LEU A 50 -8.807 1.181 0.667 1.00 10.00 H new ATOM 0 HB3 LEU A 50 -9.380 2.799 0.312 1.00 10.00 H new ATOM 0 HG LEU A 50 -11.084 2.350 2.286 1.00 10.00 H new ATOM 0 HD11 LEU A 50 -10.189 0.895 4.034 1.00 10.00 H new ATOM 0 HD12 LEU A 50 -10.587 -0.028 2.565 1.00 10.00 H new ATOM 0 HD13 LEU A 50 -8.891 0.362 2.939 1.00 10.00 H new ATOM 0 HD21 LEU A 50 -9.323 3.245 3.826 1.00 10.00 H new ATOM 0 HD22 LEU A 50 -8.066 2.726 2.679 1.00 10.00 H new ATOM 0 HD23 LEU A 50 -9.209 4.012 2.224 1.00 10.00 H new ATOM 776 N ASN A 51 -11.974 3.456 -0.068 1.00 10.00 N ATOM 777 CA ASN A 51 -12.968 4.451 -0.505 1.00 10.00 C ATOM 778 C ASN A 51 -12.421 5.309 -1.647 1.00 10.00 C ATOM 779 O ASN A 51 -12.906 5.284 -2.773 1.00 10.00 O ATOM 780 CB ASN A 51 -13.402 5.336 0.675 1.00 10.00 C ATOM 781 CG ASN A 51 -13.653 4.476 1.896 1.00 10.00 C ATOM 782 OD1 ASN A 51 -14.688 3.836 2.030 1.00 10.00 O ATOM 783 ND2 ASN A 51 -12.654 4.382 2.756 1.00 10.00 N ATOM 0 H ASN A 51 -11.442 3.735 0.756 1.00 10.00 H new ATOM 0 HA ASN A 51 -13.842 3.914 -0.875 1.00 10.00 H new ATOM 0 HB2 ASN A 51 -12.630 6.074 0.891 1.00 10.00 H new ATOM 0 HB3 ASN A 51 -14.306 5.887 0.415 1.00 10.00 H new ATOM 0 HD21 ASN A 51 -12.731 3.762 3.562 1.00 10.00 H new ATOM 0 HD22 ASN A 51 -11.805 4.930 2.614 1.00 10.00 H new ATOM 790 N ALA A 52 -11.372 6.065 -1.327 1.00 10.00 N ATOM 791 CA ALA A 52 -10.613 6.871 -2.272 1.00 10.00 C ATOM 792 C ALA A 52 -9.654 6.026 -3.131 1.00 10.00 C ATOM 793 O ALA A 52 -9.044 6.549 -4.060 1.00 10.00 O ATOM 794 CB ALA A 52 -9.857 7.919 -1.457 1.00 10.00 C ATOM 0 H ALA A 52 -11.019 6.133 -0.373 1.00 10.00 H new ATOM 0 HA ALA A 52 -11.291 7.344 -2.982 1.00 10.00 H new ATOM 0 HB1 ALA A 52 -9.272 8.549 -2.127 1.00 10.00 H new ATOM 0 HB2 ALA A 52 -10.569 8.536 -0.909 1.00 10.00 H new ATOM 0 HB3 ALA A 52 -9.190 7.421 -0.753 1.00 10.00 H new ATOM 800 N MET A 53 -9.504 4.730 -2.819 1.00 10.00 N ATOM 801 CA MET A 53 -8.644 3.816 -3.580 1.00 10.00 C ATOM 802 C MET A 53 -9.417 2.985 -4.618 1.00 10.00 C ATOM 803 O MET A 53 -10.458 2.420 -4.290 1.00 10.00 O ATOM 804 CB MET A 53 -7.915 2.891 -2.603 1.00 10.00 C ATOM 805 CG MET A 53 -6.501 3.405 -2.353 1.00 10.00 C ATOM 806 SD MET A 53 -5.788 2.865 -0.793 1.00 10.00 S ATOM 807 CE MET A 53 -5.784 1.091 -1.037 1.00 10.00 C ATOM 0 H MET A 53 -9.977 4.287 -2.031 1.00 10.00 H new ATOM 0 HA MET A 53 -7.933 4.423 -4.140 1.00 10.00 H new ATOM 0 HB2 MET A 53 -8.463 2.838 -1.662 1.00 10.00 H new ATOM 0 HB3 MET A 53 -7.877 1.879 -3.007 1.00 10.00 H new ATOM 0 HG2 MET A 53 -5.857 3.075 -3.168 1.00 10.00 H new ATOM 0 HG3 MET A 53 -6.513 4.495 -2.377 1.00 10.00 H new ATOM 0 HE1 MET A 53 -5.035 0.636 -0.389 1.00 10.00 H new ATOM 0 HE2 MET A 53 -6.767 0.688 -0.794 1.00 10.00 H new ATOM 0 HE3 MET A 53 -5.548 0.867 -2.077 1.00 10.00 H new ATOM 817 N PRO A 54 -8.903 2.851 -5.854 1.00 10.00 N ATOM 818 CA PRO A 54 -9.519 2.003 -6.861 1.00 10.00 C ATOM 819 C PRO A 54 -9.312 0.517 -6.519 1.00 10.00 C ATOM 820 O PRO A 54 -8.376 0.175 -5.788 1.00 10.00 O ATOM 821 CB PRO A 54 -8.844 2.401 -8.178 1.00 10.00 C ATOM 822 CG PRO A 54 -7.448 2.840 -7.742 1.00 10.00 C ATOM 823 CD PRO A 54 -7.669 3.439 -6.353 1.00 10.00 C ATOM 0 HA PRO A 54 -10.599 2.136 -6.921 1.00 10.00 H new ATOM 0 HB2 PRO A 54 -8.802 1.565 -8.877 1.00 10.00 H new ATOM 0 HB3 PRO A 54 -9.381 3.207 -8.677 1.00 10.00 H new ATOM 0 HG2 PRO A 54 -6.756 1.998 -7.709 1.00 10.00 H new ATOM 0 HG3 PRO A 54 -7.026 3.572 -8.430 1.00 10.00 H new ATOM 0 HD2 PRO A 54 -6.833 3.211 -5.692 1.00 10.00 H new ATOM 0 HD3 PRO A 54 -7.747 4.525 -6.404 1.00 10.00 H new ATOM 831 N PRO A 55 -10.170 -0.378 -7.037 1.00 10.00 N ATOM 832 CA PRO A 55 -10.086 -1.806 -6.776 1.00 10.00 C ATOM 833 C PRO A 55 -8.802 -2.372 -7.378 1.00 10.00 C ATOM 834 O PRO A 55 -8.712 -2.556 -8.590 1.00 10.00 O ATOM 835 CB PRO A 55 -11.367 -2.409 -7.362 1.00 10.00 C ATOM 836 CG PRO A 55 -11.736 -1.438 -8.482 1.00 10.00 C ATOM 837 CD PRO A 55 -11.264 -0.085 -7.948 1.00 10.00 C ATOM 0 HA PRO A 55 -10.027 -2.048 -5.715 1.00 10.00 H new ATOM 0 HB2 PRO A 55 -11.199 -3.416 -7.743 1.00 10.00 H new ATOM 0 HB3 PRO A 55 -12.157 -2.479 -6.614 1.00 10.00 H new ATOM 0 HG2 PRO A 55 -11.239 -1.696 -9.417 1.00 10.00 H new ATOM 0 HG3 PRO A 55 -12.808 -1.440 -8.679 1.00 10.00 H new ATOM 0 HD2 PRO A 55 -10.934 0.562 -8.760 1.00 10.00 H new ATOM 0 HD3 PRO A 55 -12.072 0.436 -7.434 1.00 10.00 H new ATOM 845 N GLY A 56 -7.794 -2.600 -6.527 1.00 10.00 N ATOM 846 CA GLY A 56 -6.455 -2.995 -6.947 1.00 10.00 C ATOM 847 C GLY A 56 -5.380 -1.982 -6.542 1.00 10.00 C ATOM 848 O GLY A 56 -4.210 -2.155 -6.883 1.00 10.00 O ATOM 0 H GLY A 56 -7.893 -2.513 -5.516 1.00 10.00 H new ATOM 0 HA2 GLY A 56 -6.215 -3.965 -6.512 1.00 10.00 H new ATOM 0 HA3 GLY A 56 -6.441 -3.119 -8.030 1.00 10.00 H new ATOM 852 N GLY A 57 -5.750 -0.881 -5.876 1.00 10.00 N ATOM 853 CA GLY A 57 -4.823 0.167 -5.452 1.00 10.00 C ATOM 854 C GLY A 57 -4.377 1.069 -6.614 1.00 10.00 C ATOM 855 O GLY A 57 -4.426 2.292 -6.506 1.00 10.00 O ATOM 0 H GLY A 57 -6.718 -0.694 -5.614 1.00 10.00 H new ATOM 0 HA2 GLY A 57 -5.298 0.778 -4.685 1.00 10.00 H new ATOM 0 HA3 GLY A 57 -3.946 -0.292 -4.996 1.00 10.00 H new ATOM 859 N MET A 58 -3.960 0.453 -7.726 1.00 10.00 N ATOM 860 CA MET A 58 -3.752 1.057 -9.041 1.00 10.00 C ATOM 861 C MET A 58 -3.400 -0.006 -10.097 1.00 10.00 C ATOM 862 O MET A 58 -3.807 0.104 -11.252 1.00 10.00 O ATOM 863 CB MET A 58 -2.658 2.140 -8.993 1.00 10.00 C ATOM 864 CG MET A 58 -3.149 3.517 -9.466 1.00 10.00 C ATOM 865 SD MET A 58 -2.045 4.400 -10.588 1.00 10.00 S ATOM 866 CE MET A 58 -2.976 4.225 -12.117 1.00 10.00 C ATOM 0 H MET A 58 -3.746 -0.544 -7.728 1.00 10.00 H new ATOM 0 HA MET A 58 -4.691 1.529 -9.329 1.00 10.00 H new ATOM 0 HB2 MET A 58 -2.285 2.225 -7.972 1.00 10.00 H new ATOM 0 HB3 MET A 58 -1.819 1.827 -9.614 1.00 10.00 H new ATOM 0 HG2 MET A 58 -4.112 3.389 -9.960 1.00 10.00 H new ATOM 0 HG3 MET A 58 -3.321 4.141 -8.589 1.00 10.00 H new ATOM 0 HE1 MET A 58 -2.439 4.716 -12.928 1.00 10.00 H new ATOM 0 HE2 MET A 58 -3.098 3.167 -12.350 1.00 10.00 H new ATOM 0 HE3 MET A 58 -3.957 4.686 -12.000 1.00 10.00 H new ATOM 876 N CYS A 59 -2.621 -1.023 -9.710 1.00 10.00 N ATOM 877 CA CYS A 59 -2.197 -2.098 -10.604 1.00 10.00 C ATOM 878 C CYS A 59 -3.288 -3.162 -10.823 1.00 10.00 C ATOM 879 O CYS A 59 -4.368 -3.102 -10.242 1.00 10.00 O ATOM 880 CB CYS A 59 -0.921 -2.747 -10.061 1.00 10.00 C ATOM 881 SG CYS A 59 -1.101 -3.614 -8.483 1.00 10.00 S ATOM 0 H CYS A 59 -2.266 -1.120 -8.759 1.00 10.00 H new ATOM 0 HA CYS A 59 -2.001 -1.650 -11.578 1.00 10.00 H new ATOM 0 HB2 CYS A 59 -0.549 -3.453 -10.803 1.00 10.00 H new ATOM 0 HB3 CYS A 59 -0.161 -1.974 -9.947 1.00 10.00 H new ATOM 886 N THR A 60 -2.973 -4.143 -11.676 1.00 10.00 N ATOM 887 CA THR A 60 -3.837 -5.281 -12.005 1.00 10.00 C ATOM 888 C THR A 60 -3.092 -6.612 -11.833 1.00 10.00 C ATOM 889 O THR A 60 -3.445 -7.416 -10.970 1.00 10.00 O ATOM 890 CB THR A 60 -4.461 -5.093 -13.400 1.00 10.00 C ATOM 891 OG1 THR A 60 -5.283 -6.196 -13.702 1.00 10.00 O ATOM 892 CG2 THR A 60 -3.467 -4.921 -14.555 1.00 10.00 C ATOM 0 H THR A 60 -2.082 -4.167 -12.172 1.00 10.00 H new ATOM 0 HA THR A 60 -4.667 -5.320 -11.299 1.00 10.00 H new ATOM 0 HB THR A 60 -5.015 -4.157 -13.327 1.00 10.00 H new ATOM 0 HG1 THR A 60 -5.681 -6.074 -14.589 1.00 10.00 H new ATOM 0 HG21 THR A 60 -4.013 -4.796 -15.490 1.00 10.00 H new ATOM 0 HG22 THR A 60 -2.850 -4.041 -14.376 1.00 10.00 H new ATOM 0 HG23 THR A 60 -2.830 -5.803 -14.622 1.00 10.00 H new ATOM 900 N ASP A 61 -2.002 -6.821 -12.579 1.00 10.00 N ATOM 901 CA ASP A 61 -1.219 -8.051 -12.574 1.00 10.00 C ATOM 902 C ASP A 61 -0.254 -8.100 -11.368 1.00 10.00 C ATOM 903 O ASP A 61 0.956 -8.246 -11.514 1.00 10.00 O ATOM 904 CB ASP A 61 -0.520 -8.136 -13.941 1.00 10.00 C ATOM 905 CG ASP A 61 0.076 -9.508 -14.218 1.00 10.00 C ATOM 906 OD1 ASP A 61 -0.594 -10.500 -13.859 1.00 10.00 O ATOM 907 OD2 ASP A 61 1.167 -9.534 -14.825 1.00 10.00 O ATOM 0 H ASP A 61 -1.634 -6.117 -13.219 1.00 10.00 H new ATOM 0 HA ASP A 61 -1.849 -8.931 -12.444 1.00 10.00 H new ATOM 0 HB2 ASP A 61 -1.236 -7.892 -14.725 1.00 10.00 H new ATOM 0 HB3 ASP A 61 0.270 -7.387 -13.986 1.00 10.00 H new ATOM 912 N CYS A 62 -0.800 -7.924 -10.160 1.00 10.00 N ATOM 913 CA CYS A 62 -0.066 -7.888 -8.893 1.00 10.00 C ATOM 914 C CYS A 62 -0.357 -9.133 -8.042 1.00 10.00 C ATOM 915 O CYS A 62 -1.513 -9.414 -7.730 1.00 10.00 O ATOM 916 CB CYS A 62 -0.435 -6.622 -8.114 1.00 10.00 C ATOM 917 SG CYS A 62 0.397 -5.095 -8.591 1.00 10.00 S ATOM 0 H CYS A 62 -1.804 -7.798 -10.035 1.00 10.00 H new ATOM 0 HA CYS A 62 1.000 -7.878 -9.119 1.00 10.00 H new ATOM 0 HB2 CYS A 62 -1.510 -6.466 -8.210 1.00 10.00 H new ATOM 0 HB3 CYS A 62 -0.232 -6.803 -7.058 1.00 10.00 H new ATOM 922 N THR A 63 0.696 -9.844 -7.628 1.00 10.00 N ATOM 923 CA THR A 63 0.616 -11.090 -6.859 1.00 10.00 C ATOM 924 C THR A 63 1.173 -10.866 -5.450 1.00 10.00 C ATOM 925 O THR A 63 2.210 -10.216 -5.314 1.00 10.00 O ATOM 926 CB THR A 63 1.422 -12.175 -7.590 1.00 10.00 C ATOM 927 OG1 THR A 63 0.989 -12.254 -8.932 1.00 10.00 O ATOM 928 CG2 THR A 63 1.228 -13.559 -6.970 1.00 10.00 C ATOM 0 H THR A 63 1.656 -9.560 -7.824 1.00 10.00 H new ATOM 0 HA THR A 63 -0.422 -11.409 -6.771 1.00 10.00 H new ATOM 0 HB THR A 63 2.473 -11.895 -7.514 1.00 10.00 H new ATOM 0 HG1 THR A 63 1.503 -12.944 -9.401 1.00 10.00 H new ATOM 0 HG21 THR A 63 1.818 -14.291 -7.522 1.00 10.00 H new ATOM 0 HG22 THR A 63 1.553 -13.541 -5.930 1.00 10.00 H new ATOM 0 HG23 THR A 63 0.174 -13.834 -7.016 1.00 10.00 H new ATOM 936 N ASP A 64 0.504 -11.397 -4.412 1.00 10.00 N ATOM 937 CA ASP A 64 0.847 -11.275 -2.992 1.00 10.00 C ATOM 938 C ASP A 64 2.362 -11.258 -2.711 1.00 10.00 C ATOM 939 O ASP A 64 2.836 -10.408 -1.955 1.00 10.00 O ATOM 940 CB ASP A 64 0.127 -12.395 -2.225 1.00 10.00 C ATOM 941 CG ASP A 64 -1.146 -11.950 -1.515 1.00 10.00 C ATOM 942 OD1 ASP A 64 -1.104 -10.953 -0.769 1.00 10.00 O ATOM 943 OD2 ASP A 64 -2.172 -12.650 -1.641 1.00 10.00 O ATOM 0 H ASP A 64 -0.338 -11.954 -4.554 1.00 10.00 H new ATOM 0 HA ASP A 64 0.506 -10.301 -2.643 1.00 10.00 H new ATOM 0 HB2 ASP A 64 -0.120 -13.196 -2.922 1.00 10.00 H new ATOM 0 HB3 ASP A 64 0.813 -12.814 -1.488 1.00 10.00 H new ATOM 948 N GLU A 65 3.102 -12.181 -3.336 1.00 10.00 N ATOM 949 CA GLU A 65 4.562 -12.187 -3.457 1.00 10.00 C ATOM 950 C GLU A 65 5.167 -10.768 -3.445 1.00 10.00 C ATOM 951 O GLU A 65 5.857 -10.396 -2.494 1.00 10.00 O ATOM 952 CB GLU A 65 4.917 -12.947 -4.749 1.00 10.00 C ATOM 953 CG GLU A 65 4.720 -14.470 -4.602 1.00 10.00 C ATOM 954 CD GLU A 65 5.991 -15.205 -4.185 1.00 10.00 C ATOM 955 OE1 GLU A 65 6.653 -14.709 -3.248 1.00 10.00 O ATOM 956 OE2 GLU A 65 6.263 -16.255 -4.805 1.00 10.00 O ATOM 0 H GLU A 65 2.675 -12.986 -3.795 1.00 10.00 H new ATOM 0 HA GLU A 65 4.995 -12.686 -2.590 1.00 10.00 H new ATOM 0 HB2 GLU A 65 4.297 -12.579 -5.567 1.00 10.00 H new ATOM 0 HB3 GLU A 65 5.953 -12.741 -5.017 1.00 10.00 H new ATOM 0 HG2 GLU A 65 3.940 -14.659 -3.864 1.00 10.00 H new ATOM 0 HG3 GLU A 65 4.367 -14.877 -5.550 1.00 10.00 H new ATOM 963 N ASP A 66 4.845 -9.957 -4.461 1.00 10.00 N ATOM 964 CA ASP A 66 5.302 -8.575 -4.558 1.00 10.00 C ATOM 965 C ASP A 66 4.316 -7.599 -3.884 1.00 10.00 C ATOM 966 O ASP A 66 4.735 -6.608 -3.291 1.00 10.00 O ATOM 967 CB ASP A 66 5.589 -8.220 -6.027 1.00 10.00 C ATOM 968 CG ASP A 66 7.051 -8.344 -6.433 1.00 10.00 C ATOM 969 OD1 ASP A 66 7.743 -9.211 -5.864 1.00 10.00 O ATOM 970 OD2 ASP A 66 7.444 -7.555 -7.319 1.00 10.00 O ATOM 0 H ASP A 66 4.256 -10.248 -5.241 1.00 10.00 H new ATOM 0 HA ASP A 66 6.237 -8.473 -4.007 1.00 10.00 H new ATOM 0 HB2 ASP A 66 4.991 -8.868 -6.668 1.00 10.00 H new ATOM 0 HB3 ASP A 66 5.259 -7.198 -6.211 1.00 10.00 H new ATOM 975 N TYR A 67 3.004 -7.864 -3.931 1.00 10.00 N ATOM 976 CA TYR A 67 1.983 -7.013 -3.309 1.00 10.00 C ATOM 977 C TYR A 67 2.303 -6.689 -1.834 1.00 10.00 C ATOM 978 O TYR A 67 2.205 -5.544 -1.398 1.00 10.00 O ATOM 979 CB TYR A 67 0.613 -7.705 -3.431 1.00 10.00 C ATOM 980 CG TYR A 67 -0.533 -6.886 -3.984 1.00 10.00 C ATOM 981 CD1 TYR A 67 -0.715 -5.539 -3.618 1.00 10.00 C ATOM 982 CD2 TYR A 67 -1.451 -7.503 -4.856 1.00 10.00 C ATOM 983 CE1 TYR A 67 -1.749 -4.790 -4.205 1.00 10.00 C ATOM 984 CE2 TYR A 67 -2.470 -6.749 -5.454 1.00 10.00 C ATOM 985 CZ TYR A 67 -2.606 -5.390 -5.138 1.00 10.00 C ATOM 986 OH TYR A 67 -3.564 -4.652 -5.749 1.00 10.00 O ATOM 0 H TYR A 67 2.619 -8.681 -4.405 1.00 10.00 H new ATOM 0 HA TYR A 67 1.968 -6.059 -3.836 1.00 10.00 H new ATOM 0 HB2 TYR A 67 0.735 -8.584 -4.063 1.00 10.00 H new ATOM 0 HB3 TYR A 67 0.326 -8.061 -2.442 1.00 10.00 H new ATOM 0 HD1 TYR A 67 -0.062 -5.083 -2.889 1.00 10.00 H new ATOM 0 HD2 TYR A 67 -1.370 -8.560 -5.064 1.00 10.00 H new ATOM 0 HE1 TYR A 67 -1.883 -3.752 -3.937 1.00 10.00 H new ATOM 0 HE2 TYR A 67 -3.148 -7.213 -6.155 1.00 10.00 H new ATOM 0 HH TYR A 67 -3.213 -3.758 -5.945 1.00 10.00 H new ATOM 996 N LYS A 68 2.717 -7.703 -1.069 1.00 10.00 N ATOM 997 CA LYS A 68 3.173 -7.543 0.309 1.00 10.00 C ATOM 998 C LYS A 68 4.529 -6.846 0.348 1.00 10.00 C ATOM 999 O LYS A 68 4.667 -5.864 1.069 1.00 10.00 O ATOM 1000 CB LYS A 68 3.207 -8.900 1.027 1.00 10.00 C ATOM 1001 CG LYS A 68 1.811 -9.252 1.564 1.00 10.00 C ATOM 1002 CD LYS A 68 1.326 -10.662 1.208 1.00 10.00 C ATOM 1003 CE LYS A 68 2.028 -11.755 2.015 1.00 10.00 C ATOM 1004 NZ LYS A 68 3.384 -12.036 1.513 1.00 10.00 N ATOM 0 H LYS A 68 2.744 -8.669 -1.396 1.00 10.00 H new ATOM 0 HA LYS A 68 2.465 -6.909 0.842 1.00 10.00 H new ATOM 0 HB2 LYS A 68 3.546 -9.675 0.339 1.00 10.00 H new ATOM 0 HB3 LYS A 68 3.923 -8.867 1.848 1.00 10.00 H new ATOM 0 HG2 LYS A 68 1.817 -9.147 2.649 1.00 10.00 H new ATOM 0 HG3 LYS A 68 1.094 -8.527 1.178 1.00 10.00 H new ATOM 0 HD2 LYS A 68 0.251 -10.725 1.379 1.00 10.00 H new ATOM 0 HD3 LYS A 68 1.491 -10.840 0.145 1.00 10.00 H new ATOM 0 HE2 LYS A 68 2.085 -11.452 3.060 1.00 10.00 H new ATOM 0 HE3 LYS A 68 1.434 -12.668 1.980 1.00 10.00 H new ATOM 0 HZ1 LYS A 68 3.688 -12.975 1.842 1.00 10.00 H new ATOM 0 HZ2 LYS A 68 3.380 -12.018 0.473 1.00 10.00 H new ATOM 0 HZ3 LYS A 68 4.043 -11.314 1.869 1.00 10.00 H new ATOM 1018 N ALA A 69 5.495 -7.294 -0.464 1.00 10.00 N ATOM 1019 CA ALA A 69 6.777 -6.602 -0.610 1.00 10.00 C ATOM 1020 C ALA A 69 6.605 -5.088 -0.869 1.00 10.00 C ATOM 1021 O ALA A 69 7.416 -4.277 -0.434 1.00 10.00 O ATOM 1022 CB ALA A 69 7.648 -7.299 -1.653 1.00 10.00 C ATOM 0 H ALA A 69 5.410 -8.137 -1.032 1.00 10.00 H new ATOM 0 HA ALA A 69 7.305 -6.666 0.341 1.00 10.00 H new ATOM 0 HB1 ALA A 69 8.596 -6.770 -1.747 1.00 10.00 H new ATOM 0 HB2 ALA A 69 7.835 -8.327 -1.343 1.00 10.00 H new ATOM 0 HB3 ALA A 69 7.135 -7.298 -2.615 1.00 10.00 H new ATOM 1028 N ALA A 70 5.512 -4.682 -1.528 1.00 10.00 N ATOM 1029 CA ALA A 70 5.220 -3.289 -1.873 1.00 10.00 C ATOM 1030 C ALA A 70 4.714 -2.504 -0.660 1.00 10.00 C ATOM 1031 O ALA A 70 5.004 -1.321 -0.515 1.00 10.00 O ATOM 1032 CB ALA A 70 4.208 -3.241 -3.025 1.00 10.00 C ATOM 0 H ALA A 70 4.790 -5.331 -1.843 1.00 10.00 H new ATOM 0 HA ALA A 70 6.145 -2.813 -2.197 1.00 10.00 H new ATOM 0 HB1 ALA A 70 3.994 -2.203 -3.278 1.00 10.00 H new ATOM 0 HB2 ALA A 70 4.623 -3.749 -3.896 1.00 10.00 H new ATOM 0 HB3 ALA A 70 3.287 -3.738 -2.721 1.00 10.00 H new ATOM 1038 N ILE A 71 3.967 -3.176 0.216 1.00 10.00 N ATOM 1039 CA ILE A 71 3.479 -2.629 1.478 1.00 10.00 C ATOM 1040 C ILE A 71 4.626 -2.554 2.501 1.00 10.00 C ATOM 1041 O ILE A 71 4.935 -1.499 3.056 1.00 10.00 O ATOM 1042 CB ILE A 71 2.254 -3.474 1.921 1.00 10.00 C ATOM 1043 CG1 ILE A 71 0.940 -2.706 1.684 1.00 10.00 C ATOM 1044 CG2 ILE A 71 2.318 -4.033 3.352 1.00 10.00 C ATOM 1045 CD1 ILE A 71 0.250 -3.127 0.391 1.00 10.00 C ATOM 0 H ILE A 71 3.678 -4.142 0.061 1.00 10.00 H new ATOM 0 HA ILE A 71 3.135 -1.600 1.377 1.00 10.00 H new ATOM 0 HB ILE A 71 2.283 -4.357 1.282 1.00 10.00 H new ATOM 0 HG12 ILE A 71 0.266 -2.874 2.524 1.00 10.00 H new ATOM 0 HG13 ILE A 71 1.147 -1.636 1.651 1.00 10.00 H new ATOM 0 HG21 ILE A 71 1.415 -4.607 3.559 1.00 10.00 H new ATOM 0 HG22 ILE A 71 3.189 -4.680 3.451 1.00 10.00 H new ATOM 0 HG23 ILE A 71 2.395 -3.209 4.061 1.00 10.00 H new ATOM 0 HD11 ILE A 71 -0.671 -2.558 0.268 1.00 10.00 H new ATOM 0 HD12 ILE A 71 0.911 -2.934 -0.454 1.00 10.00 H new ATOM 0 HD13 ILE A 71 0.016 -4.191 0.433 1.00 10.00 H new ATOM 1057 N GLU A 72 5.311 -3.677 2.707 1.00 10.00 N ATOM 1058 CA GLU A 72 6.436 -3.777 3.633 1.00 10.00 C ATOM 1059 C GLU A 72 7.636 -2.916 3.203 1.00 10.00 C ATOM 1060 O GLU A 72 8.356 -2.423 4.064 1.00 10.00 O ATOM 1061 CB GLU A 72 6.775 -5.249 3.907 1.00 10.00 C ATOM 1062 CG GLU A 72 7.434 -5.913 2.693 1.00 10.00 C ATOM 1063 CD GLU A 72 8.961 -5.931 2.663 1.00 10.00 C ATOM 1064 OE1 GLU A 72 9.574 -5.378 3.598 1.00 10.00 O ATOM 1065 OE2 GLU A 72 9.483 -6.528 1.699 1.00 10.00 O ATOM 0 H GLU A 72 5.098 -4.553 2.230 1.00 10.00 H new ATOM 0 HA GLU A 72 6.136 -3.347 4.589 1.00 10.00 H new ATOM 0 HB2 GLU A 72 7.443 -5.315 4.766 1.00 10.00 H new ATOM 0 HB3 GLU A 72 5.865 -5.790 4.169 1.00 10.00 H new ATOM 0 HG2 GLU A 72 7.081 -6.943 2.635 1.00 10.00 H new ATOM 0 HG3 GLU A 72 7.082 -5.405 1.795 1.00 10.00 H new ATOM 1072 N PHE A 73 7.788 -2.619 1.900 1.00 10.00 N ATOM 1073 CA PHE A 73 8.759 -1.635 1.412 1.00 10.00 C ATOM 1074 C PHE A 73 8.827 -0.395 2.314 1.00 10.00 C ATOM 1075 O PHE A 73 9.898 0.073 2.689 1.00 10.00 O ATOM 1076 CB PHE A 73 8.384 -1.199 -0.010 1.00 10.00 C ATOM 1077 CG PHE A 73 9.440 -0.335 -0.666 1.00 10.00 C ATOM 1078 CD1 PHE A 73 9.520 1.041 -0.377 1.00 10.00 C ATOM 1079 CD2 PHE A 73 10.434 -0.943 -1.453 1.00 10.00 C ATOM 1080 CE1 PHE A 73 10.606 1.799 -0.850 1.00 10.00 C ATOM 1081 CE2 PHE A 73 11.508 -0.180 -1.943 1.00 10.00 C ATOM 1082 CZ PHE A 73 11.594 1.189 -1.644 1.00 10.00 C ATOM 0 H PHE A 73 7.239 -3.056 1.160 1.00 10.00 H new ATOM 0 HA PHE A 73 9.739 -2.113 1.419 1.00 10.00 H new ATOM 0 HB2 PHE A 73 8.216 -2.085 -0.623 1.00 10.00 H new ATOM 0 HB3 PHE A 73 7.443 -0.650 0.021 1.00 10.00 H new ATOM 0 HD1 PHE A 73 8.746 1.515 0.209 1.00 10.00 H new ATOM 0 HD2 PHE A 73 10.372 -1.997 -1.681 1.00 10.00 H new ATOM 0 HE1 PHE A 73 10.681 2.848 -0.604 1.00 10.00 H new ATOM 0 HE2 PHE A 73 12.268 -0.648 -2.551 1.00 10.00 H new ATOM 0 HZ PHE A 73 12.419 1.774 -2.024 1.00 10.00 H new ATOM 1092 N MET A 74 7.649 0.141 2.644 1.00 10.00 N ATOM 1093 CA MET A 74 7.508 1.313 3.487 1.00 10.00 C ATOM 1094 C MET A 74 7.768 1.007 4.968 1.00 10.00 C ATOM 1095 O MET A 74 8.497 1.725 5.650 1.00 10.00 O ATOM 1096 CB MET A 74 6.095 1.863 3.296 1.00 10.00 C ATOM 1097 CG MET A 74 5.955 2.676 2.000 1.00 10.00 C ATOM 1098 SD MET A 74 5.700 1.793 0.437 1.00 10.00 S ATOM 1099 CE MET A 74 3.910 1.517 0.470 1.00 10.00 C ATOM 0 H MET A 74 6.758 -0.239 2.324 1.00 10.00 H new ATOM 0 HA MET A 74 8.256 2.049 3.193 1.00 10.00 H new ATOM 0 HB2 MET A 74 5.385 1.036 3.282 1.00 10.00 H new ATOM 0 HB3 MET A 74 5.835 2.493 4.147 1.00 10.00 H new ATOM 0 HG2 MET A 74 5.119 3.364 2.131 1.00 10.00 H new ATOM 0 HG3 MET A 74 6.854 3.283 1.893 1.00 10.00 H new ATOM 0 HE1 MET A 74 3.602 1.014 -0.447 1.00 10.00 H new ATOM 0 HE2 MET A 74 3.653 0.896 1.328 1.00 10.00 H new ATOM 0 HE3 MET A 74 3.396 2.475 0.549 1.00 10.00 H new ATOM 1109 N SER A 75 7.128 -0.045 5.482 1.00 10.00 N ATOM 1110 CA SER A 75 7.335 -0.518 6.846 1.00 10.00 C ATOM 1111 C SER A 75 7.041 -2.019 6.936 1.00 10.00 C ATOM 1112 O SER A 75 7.962 -2.811 6.778 1.00 10.00 O ATOM 1113 CB SER A 75 6.541 0.360 7.826 1.00 10.00 C ATOM 1114 OG SER A 75 6.337 -0.263 9.083 1.00 10.00 O ATOM 0 H SER A 75 6.447 -0.594 4.957 1.00 10.00 H new ATOM 0 HA SER A 75 8.380 -0.415 7.139 1.00 10.00 H new ATOM 0 HB2 SER A 75 7.071 1.301 7.974 1.00 10.00 H new ATOM 0 HB3 SER A 75 5.574 0.604 7.386 1.00 10.00 H new ATOM 0 HG SER A 75 5.829 0.338 9.667 1.00 10.00 H new ATOM 1120 N LYS A 76 5.798 -2.414 7.223 1.00 10.00 N ATOM 1121 CA LYS A 76 5.366 -3.792 7.426 1.00 10.00 C ATOM 1122 C LYS A 76 3.936 -3.817 7.999 1.00 10.00 C ATOM 1123 O LYS A 76 3.698 -4.406 9.049 1.00 10.00 O ATOM 1124 CB LYS A 76 6.380 -4.581 8.285 1.00 10.00 C ATOM 1125 CG LYS A 76 6.791 -3.920 9.615 1.00 10.00 C ATOM 1126 CD LYS A 76 8.304 -3.919 9.925 1.00 10.00 C ATOM 1127 CE LYS A 76 9.015 -2.621 9.489 1.00 10.00 C ATOM 1128 NZ LYS A 76 9.949 -2.111 10.511 1.00 10.00 N ATOM 0 H LYS A 76 5.032 -1.748 7.324 1.00 10.00 H new ATOM 0 HA LYS A 76 5.336 -4.303 6.463 1.00 10.00 H new ATOM 0 HB2 LYS A 76 5.957 -5.561 8.504 1.00 10.00 H new ATOM 0 HB3 LYS A 76 7.279 -4.747 7.691 1.00 10.00 H new ATOM 0 HG2 LYS A 76 6.440 -2.888 9.610 1.00 10.00 H new ATOM 0 HG3 LYS A 76 6.273 -4.429 10.428 1.00 10.00 H new ATOM 0 HD2 LYS A 76 8.449 -4.062 10.996 1.00 10.00 H new ATOM 0 HD3 LYS A 76 8.771 -4.767 9.424 1.00 10.00 H new ATOM 0 HE2 LYS A 76 9.561 -2.804 8.563 1.00 10.00 H new ATOM 0 HE3 LYS A 76 8.268 -1.858 9.273 1.00 10.00 H new ATOM 0 HZ1 LYS A 76 10.398 -1.239 10.166 1.00 10.00 H new ATOM 0 HZ2 LYS A 76 9.428 -1.909 11.388 1.00 10.00 H new ATOM 0 HZ3 LYS A 76 10.680 -2.826 10.700 1.00 10.00 H new ATOM 1142 N ALA A 77 2.989 -3.161 7.310 1.00 10.00 N ATOM 1143 CA ALA A 77 1.560 -3.186 7.639 1.00 10.00 C ATOM 1144 C ALA A 77 0.675 -2.614 6.522 1.00 10.00 C ATOM 1145 O ALA A 77 0.152 -3.377 5.713 1.00 10.00 O ATOM 1146 CB ALA A 77 1.289 -2.486 8.971 1.00 10.00 C ATOM 0 H ALA A 77 3.202 -2.588 6.493 1.00 10.00 H new ATOM 0 HA ALA A 77 1.286 -4.236 7.739 1.00 10.00 H new ATOM 0 HB1 ALA A 77 0.222 -2.520 9.189 1.00 10.00 H new ATOM 0 HB2 ALA A 77 1.838 -2.991 9.766 1.00 10.00 H new ATOM 0 HB3 ALA A 77 1.614 -1.447 8.909 1.00 10.00 H new ATOM 1152 N LYS A 78 0.450 -1.292 6.529 1.00 10.00 N ATOM 1153 CA LYS A 78 -0.379 -0.619 5.526 1.00 10.00 C ATOM 1154 C LYS A 78 0.366 -0.405 4.197 1.00 10.00 C ATOM 1155 O LYS A 78 -0.079 0.449 3.399 1.00 10.00 O ATOM 1156 CB LYS A 78 -1.019 0.667 6.101 1.00 10.00 C ATOM 1157 CG LYS A 78 -0.044 1.799 6.438 1.00 10.00 C ATOM 1158 CD LYS A 78 -0.451 3.191 5.913 1.00 10.00 C ATOM 1159 CE LYS A 78 0.053 3.412 4.483 1.00 10.00 C ATOM 1160 NZ LYS A 78 -0.851 2.853 3.474 1.00 10.00 N ATOM 1161 OXT LYS A 78 1.369 -1.104 3.974 1.00 10.00 O ATOM 0 H LYS A 78 0.839 -0.662 7.231 1.00 10.00 H new ATOM 0 HA LYS A 78 -1.206 -1.283 5.276 1.00 10.00 H new ATOM 0 HB2 LYS A 78 -1.747 1.041 5.382 1.00 10.00 H new ATOM 0 HB3 LYS A 78 -1.569 0.405 7.005 1.00 10.00 H new ATOM 0 HG2 LYS A 78 0.064 1.854 7.521 1.00 10.00 H new ATOM 0 HG3 LYS A 78 0.936 1.547 6.032 1.00 10.00 H new ATOM 0 HD2 LYS A 78 -1.536 3.289 5.938 1.00 10.00 H new ATOM 0 HD3 LYS A 78 -0.046 3.962 6.568 1.00 10.00 H new ATOM 0 HE2 LYS A 78 0.174 4.481 4.305 1.00 10.00 H new ATOM 0 HE3 LYS A 78 1.038 2.958 4.375 1.00 10.00 H new ATOM 0 HZ1 LYS A 78 -0.499 3.088 2.524 1.00 10.00 H new ATOM 0 HZ2 LYS A 78 -0.894 1.819 3.581 1.00 10.00 H new ATOM 0 HZ3 LYS A 78 -1.802 3.254 3.600 1.00 10.00 H new TER 1175 LYS A 78 HETATM 1176 FE HEC A 90 -3.622 3.823 -0.706 1.00 10.00 FE HETATM 1177 CHA HEC A 90 -5.095 4.219 2.460 1.00 10.00 C HETATM 1178 CHB HEC A 90 -1.866 1.074 0.471 1.00 10.00 C HETATM 1179 CHC HEC A 90 -2.574 3.225 -3.906 1.00 10.00 C HETATM 1180 CHD HEC A 90 -5.062 6.855 -1.697 1.00 10.00 C HETATM 1181 NA HEC A 90 -3.517 2.809 1.126 1.00 10.00 N HETATM 1182 C1A HEC A 90 -4.251 3.116 2.243 1.00 10.00 C HETATM 1183 C2A HEC A 90 -3.994 2.071 3.210 1.00 10.00 C HETATM 1184 C3A HEC A 90 -3.149 1.162 2.614 1.00 10.00 C HETATM 1185 C4A HEC A 90 -2.768 1.694 1.334 1.00 10.00 C HETATM 1186 CMA HEC A 90 -2.931 -0.267 3.040 1.00 10.00 C HETATM 1187 CAA HEC A 90 -4.616 1.928 4.582 1.00 10.00 C HETATM 1188 CBA HEC A 90 -6.066 1.424 4.561 1.00 10.00 C HETATM 1189 CGA HEC A 90 -6.264 0.172 3.707 1.00 10.00 C HETATM 1190 O1A HEC A 90 -6.319 0.327 2.468 1.00 10.00 O HETATM 1191 O2A HEC A 90 -6.375 -0.920 4.304 1.00 10.00 O HETATM 1192 NB HEC A 90 -2.445 2.390 -1.565 1.00 10.00 N HETATM 1193 C1B HEC A 90 -1.769 1.412 -0.883 1.00 10.00 C HETATM 1194 C2B HEC A 90 -0.911 0.739 -1.829 1.00 10.00 C HETATM 1195 C3B HEC A 90 -1.190 1.270 -3.077 1.00 10.00 C HETATM 1196 C4B HEC A 90 -2.134 2.356 -2.890 1.00 10.00 C HETATM 1197 CMB HEC A 90 0.094 -0.353 -1.491 1.00 10.00 C HETATM 1198 CAB HEC A 90 -0.474 0.929 -4.370 1.00 10.00 C HETATM 1199 CBB HEC A 90 -0.689 -0.517 -4.843 1.00 10.00 C HETATM 1200 NC HEC A 90 -3.799 4.861 -2.501 1.00 10.00 N HETATM 1201 C1C HEC A 90 -3.312 4.403 -3.681 1.00 10.00 C HETATM 1202 C2C HEC A 90 -3.653 5.380 -4.694 1.00 10.00 C HETATM 1203 C3C HEC A 90 -4.327 6.420 -4.070 1.00 10.00 C HETATM 1204 C4C HEC A 90 -4.419 6.070 -2.667 1.00 10.00 C HETATM 1205 CMC HEC A 90 -3.330 5.254 -6.167 1.00 10.00 C HETATM 1206 CAC HEC A 90 -4.887 7.711 -4.681 1.00 10.00 C HETATM 1207 CBC HEC A 90 -4.746 7.916 -6.191 1.00 10.00 C HETATM 1208 ND HEC A 90 -4.773 5.353 0.262 1.00 10.00 N HETATM 1209 C1D HEC A 90 -5.226 6.471 -0.364 1.00 10.00 C HETATM 1210 C2D HEC A 90 -5.978 7.221 0.609 1.00 10.00 C HETATM 1211 C3D HEC A 90 -6.084 6.447 1.741 1.00 10.00 C HETATM 1212 C4D HEC A 90 -5.269 5.267 1.535 1.00 10.00 C HETATM 1213 CMD HEC A 90 -6.562 8.598 0.417 1.00 10.00 C HETATM 1214 CAD HEC A 90 -7.025 6.725 2.892 1.00 10.00 C HETATM 1215 CBD HEC A 90 -8.481 6.849 2.416 1.00 10.00 C HETATM 1216 CGD HEC A 90 -9.515 6.420 3.446 1.00 10.00 C HETATM 1217 O1D HEC A 90 -9.155 6.316 4.637 1.00 10.00 O HETATM 1218 O2D HEC A 90 -10.654 6.174 2.994 1.00 10.00 O HETATM 0 HMD3 HEC A 90 -5.762 9.305 0.196 1.00 10.00 H new HETATM 0 HMD2 HEC A 90 -7.270 8.581 -0.411 1.00 10.00 H new HETATM 0 HMD1 HEC A 90 -7.076 8.905 1.328 1.00 10.00 H new HETATM 0 HMC3 HEC A 90 -2.250 5.182 -6.298 1.00 10.00 H new HETATM 0 HMC2 HEC A 90 -3.805 4.359 -6.568 1.00 10.00 H new HETATM 0 HMC1 HEC A 90 -3.702 6.131 -6.697 1.00 10.00 H new HETATM 0 HMB3 HEC A 90 0.829 0.034 -0.785 1.00 10.00 H new HETATM 0 HMB2 HEC A 90 -0.426 -1.201 -1.045 1.00 10.00 H new HETATM 0 HMB1 HEC A 90 0.600 -0.676 -2.401 1.00 10.00 H new HETATM 0 HMA3 HEC A 90 -2.556 -0.288 4.063 1.00 10.00 H new HETATM 0 HMA2 HEC A 90 -3.875 -0.810 2.988 1.00 10.00 H new HETATM 0 HMA1 HEC A 90 -2.205 -0.738 2.377 1.00 10.00 H new HETATM 0 HBD2 HEC A 90 -8.672 7.885 2.136 1.00 10.00 H new HETATM 0 HBD1 HEC A 90 -8.610 6.247 1.517 1.00 10.00 H new HETATM 0 HBC3 HEC A 90 -3.690 7.912 -6.462 1.00 10.00 H new HETATM 0 HBC2 HEC A 90 -5.259 7.111 -6.717 1.00 10.00 H new HETATM 0 HBC1 HEC A 90 -5.189 8.872 -6.471 1.00 10.00 H new HETATM 0 HBB3 HEC A 90 -0.323 -1.207 -4.082 1.00 10.00 H new HETATM 0 HBB2 HEC A 90 -1.752 -0.691 -5.010 1.00 10.00 H new HETATM 0 HBB1 HEC A 90 -0.144 -0.680 -5.773 1.00 10.00 H new HETATM 0 HBA2 HEC A 90 -6.383 1.212 5.582 1.00 10.00 H new HETATM 0 HBA1 HEC A 90 -6.712 2.217 4.185 1.00 10.00 H new HETATM 0 HAD2 HEC A 90 -6.949 5.923 3.627 1.00 10.00 H new HETATM 0 HAD1 HEC A 90 -6.726 7.646 3.393 1.00 10.00 H new HETATM 0 HAA2 HEC A 90 -4.012 1.240 5.174 1.00 10.00 H new HETATM 0 HAA1 HEC A 90 -4.585 2.894 5.086 1.00 10.00 H new HETATM 0 HHD HEC A 90 -5.458 7.824 -2.003 1.00 10.00 H new HETATM 0 HHC HEC A 90 -2.327 2.969 -4.936 1.00 10.00 H new HETATM 0 HHB HEC A 90 -1.212 0.297 0.866 1.00 10.00 H new HETATM 0 HHA HEC A 90 -5.647 4.266 3.399 1.00 10.00 H new HETATM 0 H2D HEC A 90 -11.332 6.521 3.610 1.00 10.00 H new HETATM 0 H2A HEC A 90 -5.887 -1.613 3.812 1.00 10.00 H new