USER MOD reduce.3.24.130724 H: found=0, std=0, add=638, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 635 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 39 HIS : no HE2:sc= -5.62! C(o=-8.1!,f=-17!) USER MOD Set 1.2: A 43 MET CE :methyl 174:sc= -2.52 (180deg=-1.61) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -129:sc= -0.225 (180deg=-0.496) USER MOD Single : A 4 LYS NZ :NH3+ -165:sc= 1.94 (180deg=1.35) USER MOD Single : A 5 HIS : no HD1:sc= -0.898 K(o=-0.9,f=-0.19) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 42:sc= 1.27 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.00294 USER MOD Single : A 17 GLN : amide:sc= -0.307 X(o=-0.31,f=-0.54) USER MOD Single : A 20 THR OG1 : rot 100:sc= 0.235 USER MOD Single : A 21 THR OG1 : rot -67:sc= 1.23 USER MOD Single : A 23 CYS SG : rot 70:sc= 0.149 USER MOD Single : A 24 ASN : amide:sc= 0.156 X(o=0.16,f=-0.13) USER MOD Single : A 27 THR OG1 : rot 150:sc= 0.272 USER MOD Single : A 28 SER OG : rot -173:sc= 0.0713 USER MOD Single : A 29 SER OG : rot -37:sc= 0.339 USER MOD Single : A 35 LYS NZ :NH3+ -129:sc= 2.34 (180deg=-0.431) USER MOD Single : A 38 THR OG1 : rot 7:sc= 0.599 USER MOD Single : A 44 THR OG1 : rot -30:sc= -0.427 USER MOD Single : A 46 HIS : no HE2:sc= -5.48 K(o=-5.5,f=-6.8!) USER MOD Single : A 48 SER OG : rot -85:sc= 1.26 USER MOD Single : A 50 SER OG : rot -45:sc= 0.535 USER MOD Single : A 54 TYR OH : rot 180:sc= -0.412 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ -150:sc= -0.0433! (180deg=-1.8!) USER MOD Single : A 63 SER OG : rot 72:sc= 1.31 USER MOD Single : A 65 SER OG : rot 180:sc= 0.0514 USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 70 THR OG1 : rot 54:sc= 0.502 USER MOD Single : A 72 LYS NZ :NH3+ 167:sc= 0.883 (180deg=0.422) USER MOD Single : A 73 GLN : amide:sc= 0.408 X(o=0.41,f=0) USER MOD Single : A 78 ASN : amide:sc= 0.152 X(o=0.15,f=-0.15) USER MOD Single : A 80 LYS NZ :NH3+ -120:sc= -0.177 (180deg=-4.69!) USER MOD Single : A 81 SER OG : rot 10:sc= 1 USER MOD Single : A 84 LYS NZ :NH3+ -163:sc= 1.99 (180deg=1.86) USER MOD Single : A 85 GLN : amide:sc= 0.117 X(o=0.12,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.240 -0.708 15.743 1.00 0.00 N ATOM 2 CA MET A 1 -1.692 -0.037 14.559 1.00 0.00 C ATOM 3 C MET A 1 -1.272 -1.105 13.564 1.00 0.00 C ATOM 4 O MET A 1 -0.465 -1.928 14.000 1.00 0.00 O ATOM 5 CB MET A 1 -0.536 0.908 14.908 1.00 0.00 C ATOM 6 CG MET A 1 -1.025 2.355 14.853 1.00 0.00 C ATOM 7 SD MET A 1 -2.166 2.772 16.198 1.00 0.00 S ATOM 8 CE MET A 1 -3.418 3.686 15.253 1.00 0.00 C ATOM 0 H1 MET A 1 -3.169 -0.301 15.974 1.00 0.00 H new ATOM 0 H2 MET A 1 -2.346 -1.724 15.548 1.00 0.00 H new ATOM 0 H3 MET A 1 -1.594 -0.575 16.547 1.00 0.00 H new ATOM 0 HA MET A 1 -2.459 0.598 14.116 1.00 0.00 H new ATOM 0 HB2 MET A 1 -0.154 0.680 15.903 1.00 0.00 H new ATOM 0 HB3 MET A 1 0.288 0.765 14.209 1.00 0.00 H new ATOM 0 HG2 MET A 1 -0.166 3.024 14.893 1.00 0.00 H new ATOM 0 HG3 MET A 1 -1.520 2.529 13.898 1.00 0.00 H new ATOM 0 HE1 MET A 1 -4.207 4.023 15.925 1.00 0.00 H new ATOM 0 HE2 MET A 1 -2.955 4.549 14.775 1.00 0.00 H new ATOM 0 HE3 MET A 1 -3.845 3.035 14.490 1.00 0.00 H new ATOM 20 N GLU A 2 -1.695 -1.166 12.290 1.00 0.00 N ATOM 21 CA GLU A 2 -2.648 -0.456 11.402 1.00 0.00 C ATOM 22 C GLU A 2 -1.865 0.163 10.261 1.00 0.00 C ATOM 23 O GLU A 2 -1.831 -0.330 9.138 1.00 0.00 O ATOM 24 CB GLU A 2 -3.569 0.623 12.005 1.00 0.00 C ATOM 25 CG GLU A 2 -4.874 0.124 12.649 1.00 0.00 C ATOM 26 CD GLU A 2 -4.677 -0.428 14.057 1.00 0.00 C ATOM 27 OE1 GLU A 2 -4.616 0.382 15.008 1.00 0.00 O ATOM 28 OE2 GLU A 2 -4.297 -1.609 14.214 1.00 0.00 O ATOM 0 H GLU A 2 -1.266 -1.898 11.724 1.00 0.00 H new ATOM 0 HA GLU A 2 -3.346 -1.239 11.107 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -3.004 1.173 12.758 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -3.825 1.332 11.218 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -5.591 0.944 12.684 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -5.309 -0.652 12.019 1.00 0.00 H new ATOM 35 N LEU A 3 -1.253 1.276 10.607 1.00 0.00 N ATOM 36 CA LEU A 3 -0.401 2.154 9.937 1.00 0.00 C ATOM 37 C LEU A 3 0.733 2.292 10.899 1.00 0.00 C ATOM 38 O LEU A 3 0.581 2.118 12.116 1.00 0.00 O ATOM 39 CB LEU A 3 -1.019 3.535 9.811 1.00 0.00 C ATOM 40 CG LEU A 3 -1.942 3.817 8.615 1.00 0.00 C ATOM 41 CD1 LEU A 3 -1.820 5.324 8.332 1.00 0.00 C ATOM 42 CD2 LEU A 3 -1.608 2.944 7.411 1.00 0.00 C ATOM 0 H LEU A 3 -1.394 1.620 11.557 1.00 0.00 H new ATOM 0 HA LEU A 3 -0.153 1.796 8.938 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -1.587 3.729 10.721 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -0.206 4.261 9.781 1.00 0.00 H new ATOM 0 HG LEU A 3 -2.977 3.560 8.840 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -2.456 5.588 7.487 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -2.133 5.886 9.212 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -0.784 5.567 8.096 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -2.287 3.180 6.591 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -0.581 3.133 7.098 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -1.717 1.894 7.682 1.00 0.00 H new ATOM 54 N LYS A 4 1.874 2.616 10.348 1.00 0.00 N ATOM 55 CA LYS A 4 3.102 2.363 10.989 1.00 0.00 C ATOM 56 C LYS A 4 4.044 3.500 10.665 1.00 0.00 C ATOM 57 O LYS A 4 3.706 4.458 9.988 1.00 0.00 O ATOM 58 CB LYS A 4 3.526 0.962 10.569 1.00 0.00 C ATOM 59 CG LYS A 4 3.711 0.035 11.757 1.00 0.00 C ATOM 60 CD LYS A 4 2.418 -0.374 12.453 1.00 0.00 C ATOM 61 CE LYS A 4 2.518 -1.493 13.497 1.00 0.00 C ATOM 62 NZ LYS A 4 2.232 -2.836 12.949 1.00 0.00 N ATOM 0 H LYS A 4 1.959 3.065 9.436 1.00 0.00 H new ATOM 0 HA LYS A 4 3.068 2.349 12.078 1.00 0.00 H new ATOM 0 HB2 LYS A 4 2.776 0.544 9.898 1.00 0.00 H new ATOM 0 HB3 LYS A 4 4.459 1.020 10.008 1.00 0.00 H new ATOM 0 HG2 LYS A 4 4.227 -0.864 11.422 1.00 0.00 H new ATOM 0 HG3 LYS A 4 4.360 0.523 12.484 1.00 0.00 H new ATOM 0 HD2 LYS A 4 2.000 0.508 12.939 1.00 0.00 H new ATOM 0 HD3 LYS A 4 1.705 -0.685 11.689 1.00 0.00 H new ATOM 0 HE2 LYS A 4 3.520 -1.490 13.927 1.00 0.00 H new ATOM 0 HE3 LYS A 4 1.822 -1.285 14.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 2.066 -3.502 13.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 1.386 -2.792 12.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 3.043 -3.161 12.385 1.00 0.00 H new ATOM 76 N HIS A 5 5.234 3.379 11.208 1.00 0.00 N ATOM 77 CA HIS A 5 6.373 4.218 10.835 1.00 0.00 C ATOM 78 C HIS A 5 6.956 3.770 9.511 1.00 0.00 C ATOM 79 O HIS A 5 7.716 4.469 8.850 1.00 0.00 O ATOM 80 CB HIS A 5 7.456 4.198 11.925 1.00 0.00 C ATOM 81 CG HIS A 5 6.971 3.655 13.240 1.00 0.00 C ATOM 82 ND1 HIS A 5 6.110 4.283 14.114 1.00 0.00 N ATOM 83 CD2 HIS A 5 7.024 2.331 13.571 1.00 0.00 C ATOM 84 CE1 HIS A 5 5.657 3.348 14.966 1.00 0.00 C ATOM 85 NE2 HIS A 5 6.169 2.146 14.663 1.00 0.00 N ATOM 0 H HIS A 5 5.451 2.691 11.929 1.00 0.00 H new ATOM 0 HA HIS A 5 6.012 5.241 10.731 1.00 0.00 H new ATOM 0 HB2 HIS A 5 8.297 3.596 11.580 1.00 0.00 H new ATOM 0 HB3 HIS A 5 7.829 5.211 12.074 1.00 0.00 H new ATOM 0 HD2 HIS A 5 7.614 1.570 13.082 1.00 0.00 H new ATOM 0 HE1 HIS A 5 4.975 3.538 15.782 1.00 0.00 H new ATOM 0 HE2 HIS A 5 5.973 1.265 15.138 1.00 0.00 H new ATOM 93 N SER A 6 6.664 2.518 9.225 1.00 0.00 N ATOM 94 CA SER A 6 7.313 1.729 8.255 1.00 0.00 C ATOM 95 C SER A 6 6.490 0.579 7.758 1.00 0.00 C ATOM 96 O SER A 6 5.804 -0.104 8.515 1.00 0.00 O ATOM 97 CB SER A 6 8.562 1.160 8.876 1.00 0.00 C ATOM 98 OG SER A 6 8.528 1.035 10.296 1.00 0.00 O ATOM 0 H SER A 6 5.919 2.014 9.705 1.00 0.00 H new ATOM 0 HA SER A 6 7.513 2.377 7.402 1.00 0.00 H new ATOM 0 HB2 SER A 6 8.748 0.177 8.444 1.00 0.00 H new ATOM 0 HB3 SER A 6 9.406 1.793 8.603 1.00 0.00 H new ATOM 0 HG SER A 6 9.375 0.657 10.612 1.00 0.00 H new ATOM 104 N ILE A 7 6.877 0.182 6.558 1.00 0.00 N ATOM 105 CA ILE A 7 6.578 -1.081 5.899 1.00 0.00 C ATOM 106 C ILE A 7 7.175 -2.303 6.613 1.00 0.00 C ATOM 107 O ILE A 7 7.380 -3.381 6.057 1.00 0.00 O ATOM 108 CB ILE A 7 7.073 -0.897 4.468 1.00 0.00 C ATOM 109 CG1 ILE A 7 6.568 -2.056 3.623 1.00 0.00 C ATOM 110 CG2 ILE A 7 8.600 -0.682 4.337 1.00 0.00 C ATOM 111 CD1 ILE A 7 6.553 -1.625 2.186 1.00 0.00 C ATOM 0 H ILE A 7 7.456 0.783 5.971 1.00 0.00 H new ATOM 0 HA ILE A 7 5.511 -1.305 5.923 1.00 0.00 H new ATOM 0 HB ILE A 7 6.658 0.039 4.093 1.00 0.00 H new ATOM 0 HG12 ILE A 7 7.211 -2.927 3.751 1.00 0.00 H new ATOM 0 HG13 ILE A 7 5.568 -2.349 3.941 1.00 0.00 H new ATOM 0 HG21 ILE A 7 8.861 -0.561 3.286 1.00 0.00 H new ATOM 0 HG22 ILE A 7 8.890 0.212 4.889 1.00 0.00 H new ATOM 0 HG23 ILE A 7 9.125 -1.546 4.744 1.00 0.00 H new ATOM 0 HD11 ILE A 7 6.193 -2.445 1.564 1.00 0.00 H new ATOM 0 HD12 ILE A 7 5.893 -0.765 2.071 1.00 0.00 H new ATOM 0 HD13 ILE A 7 7.562 -1.352 1.878 1.00 0.00 H new ATOM 123 N SER A 8 7.588 -2.085 7.844 1.00 0.00 N ATOM 124 CA SER A 8 8.521 -2.864 8.563 1.00 0.00 C ATOM 125 C SER A 8 8.205 -2.921 10.027 1.00 0.00 C ATOM 126 O SER A 8 8.605 -3.919 10.626 1.00 0.00 O ATOM 127 CB SER A 8 9.865 -2.451 8.142 1.00 0.00 C ATOM 128 OG SER A 8 10.918 -2.461 9.079 1.00 0.00 O ATOM 0 H SER A 8 7.243 -1.296 8.391 1.00 0.00 H new ATOM 0 HA SER A 8 8.462 -3.925 8.322 1.00 0.00 H new ATOM 0 HB2 SER A 8 10.160 -3.094 7.312 1.00 0.00 H new ATOM 0 HB3 SER A 8 9.787 -1.438 7.748 1.00 0.00 H new ATOM 0 HG SER A 8 11.745 -2.163 8.645 1.00 0.00 H new ATOM 134 N ASP A 9 7.430 -1.952 10.573 1.00 0.00 N ATOM 135 CA ASP A 9 6.771 -2.330 11.830 1.00 0.00 C ATOM 136 C ASP A 9 5.538 -3.163 11.545 1.00 0.00 C ATOM 137 O ASP A 9 4.811 -3.554 12.458 1.00 0.00 O ATOM 138 CB ASP A 9 6.377 -1.211 12.829 1.00 0.00 C ATOM 139 CG ASP A 9 7.098 -1.540 14.135 1.00 0.00 C ATOM 140 OD1 ASP A 9 6.667 -2.545 14.760 1.00 0.00 O ATOM 141 OD2 ASP A 9 8.121 -0.890 14.427 1.00 0.00 O ATOM 0 H ASP A 9 7.261 -1.013 10.212 1.00 0.00 H new ATOM 0 HA ASP A 9 7.562 -2.878 12.341 1.00 0.00 H new ATOM 0 HB2 ASP A 9 6.675 -0.231 12.455 1.00 0.00 H new ATOM 0 HB3 ASP A 9 5.297 -1.181 12.976 1.00 0.00 H new ATOM 146 N TYR A 10 5.275 -3.432 10.274 1.00 0.00 N ATOM 147 CA TYR A 10 3.979 -3.807 9.803 1.00 0.00 C ATOM 148 C TYR A 10 4.145 -4.891 8.756 1.00 0.00 C ATOM 149 O TYR A 10 5.178 -4.985 8.083 1.00 0.00 O ATOM 150 CB TYR A 10 3.287 -2.493 9.415 1.00 0.00 C ATOM 151 CG TYR A 10 2.618 -2.302 8.093 1.00 0.00 C ATOM 152 CD1 TYR A 10 3.351 -2.473 6.907 1.00 0.00 C ATOM 153 CD2 TYR A 10 1.352 -1.691 8.073 1.00 0.00 C ATOM 154 CE1 TYR A 10 2.861 -1.940 5.712 1.00 0.00 C ATOM 155 CE2 TYR A 10 0.843 -1.190 6.876 1.00 0.00 C ATOM 156 CZ TYR A 10 1.656 -1.212 5.729 1.00 0.00 C ATOM 157 OH TYR A 10 1.331 -0.457 4.662 1.00 0.00 O ATOM 0 H TYR A 10 5.981 -3.391 9.539 1.00 0.00 H new ATOM 0 HA TYR A 10 3.314 -4.281 10.525 1.00 0.00 H new ATOM 0 HB2 TYR A 10 2.533 -2.300 10.178 1.00 0.00 H new ATOM 0 HB3 TYR A 10 4.037 -1.707 9.502 1.00 0.00 H new ATOM 0 HD1 TYR A 10 4.287 -3.013 6.919 1.00 0.00 H new ATOM 0 HD2 TYR A 10 0.775 -1.610 8.983 1.00 0.00 H new ATOM 0 HE1 TYR A 10 3.400 -2.085 4.787 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -0.160 -0.791 6.830 1.00 0.00 H new ATOM 0 HH TYR A 10 1.541 -0.946 3.839 1.00 0.00 H new ATOM 167 N THR A 11 3.202 -5.820 8.757 1.00 0.00 N ATOM 168 CA THR A 11 3.323 -7.061 8.013 1.00 0.00 C ATOM 169 C THR A 11 2.938 -6.815 6.550 1.00 0.00 C ATOM 170 O THR A 11 2.508 -5.722 6.186 1.00 0.00 O ATOM 171 CB THR A 11 2.573 -8.210 8.722 1.00 0.00 C ATOM 172 OG1 THR A 11 1.436 -8.678 8.019 1.00 0.00 O ATOM 173 CG2 THR A 11 2.097 -7.919 10.151 1.00 0.00 C ATOM 0 H THR A 11 2.328 -5.733 9.276 1.00 0.00 H new ATOM 0 HA THR A 11 4.358 -7.403 7.992 1.00 0.00 H new ATOM 0 HB THR A 11 3.358 -8.965 8.752 1.00 0.00 H new ATOM 0 HG1 THR A 11 1.014 -9.404 8.525 1.00 0.00 H new ATOM 0 HG21 THR A 11 1.584 -8.795 10.549 1.00 0.00 H new ATOM 0 HG22 THR A 11 2.956 -7.684 10.780 1.00 0.00 H new ATOM 0 HG23 THR A 11 1.412 -7.071 10.141 1.00 0.00 H new ATOM 181 N GLU A 12 3.060 -7.827 5.690 1.00 0.00 N ATOM 182 CA GLU A 12 2.546 -7.679 4.338 1.00 0.00 C ATOM 183 C GLU A 12 1.038 -7.489 4.352 1.00 0.00 C ATOM 184 O GLU A 12 0.505 -6.633 3.661 1.00 0.00 O ATOM 185 CB GLU A 12 2.876 -8.889 3.468 1.00 0.00 C ATOM 186 CG GLU A 12 2.415 -8.545 2.047 1.00 0.00 C ATOM 187 CD GLU A 12 2.478 -9.725 1.085 1.00 0.00 C ATOM 188 OE1 GLU A 12 3.581 -10.294 0.957 1.00 0.00 O ATOM 189 OE2 GLU A 12 1.527 -9.862 0.282 1.00 0.00 O ATOM 0 H GLU A 12 3.495 -8.726 5.899 1.00 0.00 H new ATOM 0 HA GLU A 12 3.029 -6.798 3.915 1.00 0.00 H new ATOM 0 HB2 GLU A 12 3.945 -9.101 3.488 1.00 0.00 H new ATOM 0 HB3 GLU A 12 2.368 -9.781 3.835 1.00 0.00 H new ATOM 0 HG2 GLU A 12 1.391 -8.172 2.086 1.00 0.00 H new ATOM 0 HG3 GLU A 12 3.034 -7.736 1.659 1.00 0.00 H new ATOM 196 N ALA A 13 0.358 -8.321 5.125 1.00 0.00 N ATOM 197 CA ALA A 13 -1.092 -8.382 5.169 1.00 0.00 C ATOM 198 C ALA A 13 -1.603 -7.064 5.726 1.00 0.00 C ATOM 199 O ALA A 13 -2.677 -6.611 5.360 1.00 0.00 O ATOM 200 CB ALA A 13 -1.547 -9.561 6.033 1.00 0.00 C ATOM 0 H ALA A 13 0.810 -8.986 5.752 1.00 0.00 H new ATOM 0 HA ALA A 13 -1.497 -8.537 4.169 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.636 -9.595 6.058 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -1.164 -10.490 5.611 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -1.165 -9.438 7.046 1.00 0.00 H new ATOM 206 N GLU A 14 -0.775 -6.440 6.558 1.00 0.00 N ATOM 207 CA GLU A 14 -0.963 -5.138 7.132 1.00 0.00 C ATOM 208 C GLU A 14 -0.953 -4.026 6.087 1.00 0.00 C ATOM 209 O GLU A 14 -1.736 -3.086 6.180 1.00 0.00 O ATOM 210 CB GLU A 14 0.165 -4.938 8.147 1.00 0.00 C ATOM 211 CG GLU A 14 -0.467 -4.189 9.297 1.00 0.00 C ATOM 212 CD GLU A 14 0.417 -3.914 10.499 1.00 0.00 C ATOM 213 OE1 GLU A 14 1.275 -4.751 10.850 1.00 0.00 O ATOM 214 OE2 GLU A 14 0.248 -2.842 11.120 1.00 0.00 O ATOM 0 H GLU A 14 0.099 -6.870 6.861 1.00 0.00 H new ATOM 0 HA GLU A 14 -1.944 -5.084 7.605 1.00 0.00 H new ATOM 0 HB2 GLU A 14 0.573 -5.894 8.476 1.00 0.00 H new ATOM 0 HB3 GLU A 14 0.989 -4.372 7.714 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -0.835 -3.235 8.920 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -1.335 -4.755 9.635 1.00 0.00 H new ATOM 221 N PHE A 15 -0.111 -4.153 5.064 1.00 0.00 N ATOM 222 CA PHE A 15 -0.166 -3.275 3.908 1.00 0.00 C ATOM 223 C PHE A 15 -1.329 -3.678 3.046 1.00 0.00 C ATOM 224 O PHE A 15 -1.989 -2.828 2.457 1.00 0.00 O ATOM 225 CB PHE A 15 1.108 -3.420 3.064 1.00 0.00 C ATOM 226 CG PHE A 15 1.489 -2.263 2.152 1.00 0.00 C ATOM 227 CD1 PHE A 15 0.706 -1.101 2.038 1.00 0.00 C ATOM 228 CD2 PHE A 15 2.731 -2.298 1.500 1.00 0.00 C ATOM 229 CE1 PHE A 15 1.255 0.057 1.477 1.00 0.00 C ATOM 230 CE2 PHE A 15 3.226 -1.182 0.817 1.00 0.00 C ATOM 231 CZ PHE A 15 2.512 0.024 0.856 1.00 0.00 C ATOM 0 H PHE A 15 0.621 -4.862 5.017 1.00 0.00 H new ATOM 0 HA PHE A 15 -0.266 -2.247 4.256 1.00 0.00 H new ATOM 0 HB2 PHE A 15 1.941 -3.600 3.743 1.00 0.00 H new ATOM 0 HB3 PHE A 15 1.002 -4.312 2.447 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -0.317 -1.102 2.383 1.00 0.00 H new ATOM 0 HD2 PHE A 15 3.317 -3.205 1.526 1.00 0.00 H new ATOM 0 HE1 PHE A 15 0.705 0.986 1.523 1.00 0.00 H new ATOM 0 HE2 PHE A 15 4.151 -1.249 0.264 1.00 0.00 H new ATOM 0 HZ PHE A 15 2.925 0.918 0.413 1.00 0.00 H new ATOM 241 N LEU A 16 -1.577 -4.982 2.931 1.00 0.00 N ATOM 242 CA LEU A 16 -2.540 -5.386 1.931 1.00 0.00 C ATOM 243 C LEU A 16 -3.931 -4.924 2.310 1.00 0.00 C ATOM 244 O LEU A 16 -4.676 -4.452 1.466 1.00 0.00 O ATOM 245 CB LEU A 16 -2.444 -6.885 1.752 1.00 0.00 C ATOM 246 CG LEU A 16 -3.320 -7.441 0.619 1.00 0.00 C ATOM 247 CD1 LEU A 16 -3.466 -6.596 -0.640 1.00 0.00 C ATOM 248 CD2 LEU A 16 -2.685 -8.735 0.053 1.00 0.00 C ATOM 0 H LEU A 16 -1.152 -5.728 3.482 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.320 -4.914 0.974 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.405 -7.151 1.557 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.727 -7.370 2.686 1.00 0.00 H new ATOM 0 HG LEU A 16 -4.286 -7.530 1.116 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.111 -7.112 -1.352 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.907 -5.633 -0.383 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.485 -6.438 -1.088 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.310 -9.126 -0.750 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.691 -8.513 -0.336 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.606 -9.479 0.846 1.00 0.00 H new ATOM 260 N GLN A 17 -4.234 -4.974 3.597 1.00 0.00 N ATOM 261 CA GLN A 17 -5.424 -4.495 4.210 1.00 0.00 C ATOM 262 C GLN A 17 -5.516 -2.991 4.072 1.00 0.00 C ATOM 263 O GLN A 17 -6.607 -2.460 3.975 1.00 0.00 O ATOM 264 CB GLN A 17 -5.661 -4.933 5.657 1.00 0.00 C ATOM 265 CG GLN A 17 -4.626 -4.277 6.537 1.00 0.00 C ATOM 266 CD GLN A 17 -4.583 -4.716 7.997 1.00 0.00 C ATOM 267 OE1 GLN A 17 -4.996 -5.807 8.374 1.00 0.00 O ATOM 268 NE2 GLN A 17 -4.027 -3.874 8.856 1.00 0.00 N ATOM 0 H GLN A 17 -3.594 -5.385 4.276 1.00 0.00 H new ATOM 0 HA GLN A 17 -6.232 -4.977 3.660 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -6.664 -4.650 5.978 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -5.594 -6.018 5.739 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -3.644 -4.458 6.099 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -4.792 -3.200 6.511 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -3.686 -2.968 8.534 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -3.940 -4.132 9.839 1.00 0.00 H new ATOM 277 N LEU A 18 -4.372 -2.308 4.094 1.00 0.00 N ATOM 278 CA LEU A 18 -4.348 -0.865 4.074 1.00 0.00 C ATOM 279 C LEU A 18 -4.834 -0.445 2.688 1.00 0.00 C ATOM 280 O LEU A 18 -5.790 0.312 2.531 1.00 0.00 O ATOM 281 CB LEU A 18 -2.902 -0.396 4.342 1.00 0.00 C ATOM 282 CG LEU A 18 -2.661 1.100 4.563 1.00 0.00 C ATOM 283 CD1 LEU A 18 -1.156 1.370 4.565 1.00 0.00 C ATOM 284 CD2 LEU A 18 -3.282 2.031 3.529 1.00 0.00 C ATOM 0 H LEU A 18 -3.450 -2.744 4.126 1.00 0.00 H new ATOM 0 HA LEU A 18 -4.986 -0.419 4.837 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.536 -0.927 5.221 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.287 -0.713 3.500 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.146 1.319 5.514 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -0.977 2.434 4.722 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -0.685 0.801 5.367 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -0.731 1.068 3.608 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -3.049 3.065 3.783 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.879 1.800 2.543 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.363 1.895 3.520 1.00 0.00 H new ATOM 296 N VAL A 19 -4.211 -1.043 1.674 1.00 0.00 N ATOM 297 CA VAL A 19 -4.514 -0.788 0.256 1.00 0.00 C ATOM 298 C VAL A 19 -6.030 -1.041 0.097 1.00 0.00 C ATOM 299 O VAL A 19 -6.759 -0.266 -0.502 1.00 0.00 O ATOM 300 CB VAL A 19 -3.704 -1.792 -0.527 1.00 0.00 C ATOM 301 CG1 VAL A 19 -4.203 -1.759 -1.962 1.00 0.00 C ATOM 302 CG2 VAL A 19 -2.236 -1.357 -0.416 1.00 0.00 C ATOM 0 H VAL A 19 -3.469 -1.730 1.811 1.00 0.00 H new ATOM 0 HA VAL A 19 -4.274 0.219 -0.087 1.00 0.00 H new ATOM 0 HB VAL A 19 -3.800 -2.812 -0.156 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -3.639 -2.475 -2.560 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -5.261 -2.021 -1.985 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -4.068 -0.758 -2.371 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -1.607 -2.055 -0.969 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -2.121 -0.356 -0.833 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -1.937 -1.350 0.632 1.00 0.00 H new ATOM 312 N THR A 20 -6.494 -2.135 0.696 1.00 0.00 N ATOM 313 CA THR A 20 -7.842 -2.667 0.753 1.00 0.00 C ATOM 314 C THR A 20 -8.802 -1.703 1.465 1.00 0.00 C ATOM 315 O THR A 20 -9.899 -1.525 0.966 1.00 0.00 O ATOM 316 CB THR A 20 -7.650 -4.049 1.408 1.00 0.00 C ATOM 317 OG1 THR A 20 -7.349 -5.021 0.426 1.00 0.00 O ATOM 318 CG2 THR A 20 -8.587 -4.611 2.457 1.00 0.00 C ATOM 0 H THR A 20 -5.853 -2.737 1.213 1.00 0.00 H new ATOM 0 HA THR A 20 -8.331 -2.779 -0.215 1.00 0.00 H new ATOM 0 HB THR A 20 -6.824 -3.797 2.073 1.00 0.00 H new ATOM 0 HG1 THR A 20 -6.382 -5.182 0.411 1.00 0.00 H new ATOM 0 HG21 THR A 20 -8.240 -5.598 2.763 1.00 0.00 H new ATOM 0 HG22 THR A 20 -8.604 -3.948 3.322 1.00 0.00 H new ATOM 0 HG23 THR A 20 -9.592 -4.692 2.042 1.00 0.00 H new ATOM 326 N THR A 21 -8.408 -1.010 2.534 1.00 0.00 N ATOM 327 CA THR A 21 -9.101 0.099 3.186 1.00 0.00 C ATOM 328 C THR A 21 -9.299 1.266 2.199 1.00 0.00 C ATOM 329 O THR A 21 -10.274 2.006 2.318 1.00 0.00 O ATOM 330 CB THR A 21 -8.249 0.483 4.422 1.00 0.00 C ATOM 331 OG1 THR A 21 -8.636 -0.198 5.605 1.00 0.00 O ATOM 332 CG2 THR A 21 -8.066 1.989 4.647 1.00 0.00 C ATOM 0 H THR A 21 -7.528 -1.227 3.002 1.00 0.00 H new ATOM 0 HA THR A 21 -10.105 -0.177 3.510 1.00 0.00 H new ATOM 0 HB THR A 21 -7.253 0.123 4.163 1.00 0.00 H new ATOM 0 HG1 THR A 21 -9.529 0.100 5.877 1.00 0.00 H new ATOM 0 HG21 THR A 21 -7.456 2.153 5.535 1.00 0.00 H new ATOM 0 HG22 THR A 21 -7.571 2.429 3.781 1.00 0.00 H new ATOM 0 HG23 THR A 21 -9.041 2.457 4.785 1.00 0.00 H new ATOM 340 N ILE A 22 -8.419 1.444 1.211 1.00 0.00 N ATOM 341 CA ILE A 22 -8.435 2.546 0.251 1.00 0.00 C ATOM 342 C ILE A 22 -9.284 2.156 -0.945 1.00 0.00 C ATOM 343 O ILE A 22 -10.141 2.919 -1.384 1.00 0.00 O ATOM 344 CB ILE A 22 -7.033 2.932 -0.256 1.00 0.00 C ATOM 345 CG1 ILE A 22 -5.935 2.713 0.787 1.00 0.00 C ATOM 346 CG2 ILE A 22 -7.088 4.387 -0.715 1.00 0.00 C ATOM 347 CD1 ILE A 22 -4.718 3.580 0.595 1.00 0.00 C ATOM 0 H ILE A 22 -7.646 0.798 1.053 1.00 0.00 H new ATOM 0 HA ILE A 22 -8.846 3.410 0.774 1.00 0.00 H new ATOM 0 HB ILE A 22 -6.766 2.278 -1.086 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -6.348 2.901 1.778 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -5.629 1.667 0.762 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -6.107 4.691 -1.081 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -7.821 4.489 -1.515 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -7.375 5.022 0.123 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -3.989 3.362 1.376 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -4.277 3.377 -0.381 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -5.007 4.630 0.651 1.00 0.00 H new ATOM 359 N CYS A 23 -9.088 0.930 -1.430 1.00 0.00 N ATOM 360 CA CYS A 23 -10.035 0.265 -2.292 1.00 0.00 C ATOM 361 C CYS A 23 -11.386 0.111 -1.577 1.00 0.00 C ATOM 362 O CYS A 23 -12.349 -0.228 -2.263 1.00 0.00 O ATOM 363 CB CYS A 23 -9.476 -1.088 -2.779 1.00 0.00 C ATOM 364 SG CYS A 23 -7.841 -0.875 -3.548 1.00 0.00 S ATOM 0 H CYS A 23 -8.257 0.375 -1.227 1.00 0.00 H new ATOM 0 HA CYS A 23 -10.200 0.878 -3.178 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -9.400 -1.778 -1.939 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -10.165 -1.534 -3.497 1.00 0.00 H new ATOM 0 HG CYS A 23 -6.970 -0.563 -2.635 1.00 0.00 H new ATOM 370 N ASN A 24 -11.475 0.371 -0.254 1.00 0.00 N ATOM 371 CA ASN A 24 -12.776 0.282 0.448 1.00 0.00 C ATOM 372 C ASN A 24 -13.359 1.628 0.901 1.00 0.00 C ATOM 373 O ASN A 24 -14.567 1.694 1.115 1.00 0.00 O ATOM 374 CB ASN A 24 -12.758 -0.761 1.583 1.00 0.00 C ATOM 375 CG ASN A 24 -14.155 -1.044 2.140 1.00 0.00 C ATOM 376 OD1 ASN A 24 -15.043 -1.463 1.404 1.00 0.00 O ATOM 377 ND2 ASN A 24 -14.398 -0.910 3.436 1.00 0.00 N ATOM 0 H ASN A 24 -10.687 0.637 0.336 1.00 0.00 H new ATOM 0 HA ASN A 24 -13.472 -0.073 -0.312 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -12.323 -1.689 1.212 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -12.114 -0.406 2.388 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -15.315 -1.154 3.811 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -13.668 -0.563 4.058 1.00 0.00 H new ATOM 384 N ALA A 25 -12.568 2.712 1.016 1.00 0.00 N ATOM 385 CA ALA A 25 -13.026 4.017 1.534 1.00 0.00 C ATOM 386 C ALA A 25 -13.669 3.870 2.913 1.00 0.00 C ATOM 387 O ALA A 25 -14.501 4.663 3.340 1.00 0.00 O ATOM 388 CB ALA A 25 -13.930 4.694 0.484 1.00 0.00 C ATOM 0 H ALA A 25 -11.583 2.707 0.750 1.00 0.00 H new ATOM 0 HA ALA A 25 -12.174 4.678 1.692 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -14.270 5.658 0.863 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -13.368 4.845 -0.437 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -14.793 4.059 0.283 1.00 0.00 H new ATOM 394 N ASP A 26 -13.093 2.927 3.647 1.00 0.00 N ATOM 395 CA ASP A 26 -13.196 2.396 5.017 1.00 0.00 C ATOM 396 C ASP A 26 -12.919 3.416 6.125 1.00 0.00 C ATOM 397 O ASP A 26 -12.632 3.115 7.280 1.00 0.00 O ATOM 398 CB ASP A 26 -12.124 1.338 4.996 1.00 0.00 C ATOM 399 CG ASP A 26 -12.229 0.215 6.009 1.00 0.00 C ATOM 400 OD1 ASP A 26 -13.316 -0.405 6.037 1.00 0.00 O ATOM 401 OD2 ASP A 26 -11.163 -0.144 6.552 1.00 0.00 O ATOM 0 H ASP A 26 -12.366 2.387 3.178 1.00 0.00 H new ATOM 0 HA ASP A 26 -14.205 2.056 5.248 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -12.110 0.893 4.001 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -11.162 1.831 5.139 1.00 0.00 H new ATOM 406 N THR A 27 -12.933 4.658 5.688 1.00 0.00 N ATOM 407 CA THR A 27 -12.313 5.818 6.292 1.00 0.00 C ATOM 408 C THR A 27 -13.248 6.957 6.686 1.00 0.00 C ATOM 409 O THR A 27 -14.467 6.810 6.757 1.00 0.00 O ATOM 410 CB THR A 27 -11.147 6.236 5.398 1.00 0.00 C ATOM 411 OG1 THR A 27 -11.597 7.074 4.358 1.00 0.00 O ATOM 412 CG2 THR A 27 -10.305 5.119 4.787 1.00 0.00 C ATOM 0 H THR A 27 -13.421 4.902 4.826 1.00 0.00 H new ATOM 0 HA THR A 27 -11.945 5.529 7.276 1.00 0.00 H new ATOM 0 HB THR A 27 -10.482 6.751 6.091 1.00 0.00 H new ATOM 0 HG1 THR A 27 -10.882 7.695 4.106 1.00 0.00 H new ATOM 0 HG21 THR A 27 -9.513 5.553 4.176 1.00 0.00 H new ATOM 0 HG22 THR A 27 -9.862 4.520 5.583 1.00 0.00 H new ATOM 0 HG23 THR A 27 -10.937 4.485 4.165 1.00 0.00 H new ATOM 420 N SER A 28 -12.646 8.125 6.947 1.00 0.00 N ATOM 421 CA SER A 28 -13.348 9.389 7.036 1.00 0.00 C ATOM 422 C SER A 28 -14.162 9.713 5.799 1.00 0.00 C ATOM 423 O SER A 28 -15.068 10.543 5.875 1.00 0.00 O ATOM 424 CB SER A 28 -12.350 10.482 7.323 1.00 0.00 C ATOM 425 OG SER A 28 -11.346 10.548 6.354 1.00 0.00 O ATOM 0 H SER A 28 -11.641 8.207 7.103 1.00 0.00 H new ATOM 0 HA SER A 28 -14.069 9.311 7.849 1.00 0.00 H new ATOM 0 HB2 SER A 28 -12.867 11.440 7.373 1.00 0.00 H new ATOM 0 HB3 SER A 28 -11.899 10.312 8.300 1.00 0.00 H new ATOM 0 HG SER A 28 -10.663 11.193 6.634 1.00 0.00 H new ATOM 431 N SER A 29 -13.791 9.069 4.691 1.00 0.00 N ATOM 432 CA SER A 29 -14.623 8.828 3.508 1.00 0.00 C ATOM 433 C SER A 29 -14.212 9.497 2.227 1.00 0.00 C ATOM 434 O SER A 29 -14.795 9.204 1.183 1.00 0.00 O ATOM 435 CB SER A 29 -16.077 9.046 3.750 1.00 0.00 C ATOM 436 OG SER A 29 -16.939 8.373 2.850 1.00 0.00 O ATOM 0 H SER A 29 -12.853 8.681 4.588 1.00 0.00 H new ATOM 0 HA SER A 29 -14.434 7.767 3.344 1.00 0.00 H new ATOM 0 HB2 SER A 29 -16.314 8.726 4.765 1.00 0.00 H new ATOM 0 HB3 SER A 29 -16.283 10.115 3.697 1.00 0.00 H new ATOM 0 HG SER A 29 -16.546 8.381 1.952 1.00 0.00 H new ATOM 442 N GLU A 30 -13.191 10.328 2.301 1.00 0.00 N ATOM 443 CA GLU A 30 -12.514 10.736 1.086 1.00 0.00 C ATOM 444 C GLU A 30 -11.065 11.136 1.333 1.00 0.00 C ATOM 445 O GLU A 30 -10.247 11.292 0.432 1.00 0.00 O ATOM 446 CB GLU A 30 -13.316 11.904 0.463 1.00 0.00 C ATOM 447 CG GLU A 30 -12.943 12.323 -0.968 1.00 0.00 C ATOM 448 CD GLU A 30 -13.837 13.477 -1.457 1.00 0.00 C ATOM 449 OE1 GLU A 30 -13.681 14.603 -0.929 1.00 0.00 O ATOM 450 OE2 GLU A 30 -14.674 13.236 -2.357 1.00 0.00 O ATOM 0 H GLU A 30 -12.820 10.725 3.164 1.00 0.00 H new ATOM 0 HA GLU A 30 -12.475 9.891 0.399 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -14.372 11.633 0.472 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -13.205 12.774 1.110 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -11.898 12.630 -1.000 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -13.045 11.470 -1.639 1.00 0.00 H new ATOM 457 N GLU A 31 -10.712 11.168 2.604 1.00 0.00 N ATOM 458 CA GLU A 31 -9.597 11.929 3.090 1.00 0.00 C ATOM 459 C GLU A 31 -8.458 11.120 3.597 1.00 0.00 C ATOM 460 O GLU A 31 -7.409 11.064 2.977 1.00 0.00 O ATOM 461 CB GLU A 31 -10.241 12.744 4.125 1.00 0.00 C ATOM 462 CG GLU A 31 -9.470 13.746 4.963 1.00 0.00 C ATOM 463 CD GLU A 31 -9.001 13.198 6.331 1.00 0.00 C ATOM 464 OE1 GLU A 31 -9.821 12.523 6.995 1.00 0.00 O ATOM 465 OE2 GLU A 31 -7.837 13.433 6.740 1.00 0.00 O ATOM 0 H GLU A 31 -11.206 10.654 3.333 1.00 0.00 H new ATOM 0 HA GLU A 31 -9.100 12.502 2.308 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -11.042 13.297 3.635 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -10.712 12.050 4.821 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -8.599 14.080 4.400 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -10.097 14.622 5.130 1.00 0.00 H new ATOM 472 N GLU A 32 -8.772 10.431 4.679 1.00 0.00 N ATOM 473 CA GLU A 32 -8.088 9.259 5.152 1.00 0.00 C ATOM 474 C GLU A 32 -7.833 8.356 3.987 1.00 0.00 C ATOM 475 O GLU A 32 -6.830 7.701 3.972 1.00 0.00 O ATOM 476 CB GLU A 32 -8.893 8.530 6.142 1.00 0.00 C ATOM 477 CG GLU A 32 -8.730 9.100 7.542 1.00 0.00 C ATOM 478 CD GLU A 32 -7.375 9.078 8.260 1.00 0.00 C ATOM 479 OE1 GLU A 32 -6.370 8.587 7.713 1.00 0.00 O ATOM 480 OE2 GLU A 32 -7.321 9.693 9.352 1.00 0.00 O ATOM 0 H GLU A 32 -9.554 10.695 5.278 1.00 0.00 H new ATOM 0 HA GLU A 32 -7.157 9.569 5.626 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -9.944 8.570 5.855 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -8.602 7.479 6.142 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -9.050 10.141 7.500 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -9.438 8.574 8.183 1.00 0.00 H new ATOM 487 N LEU A 33 -8.691 8.355 2.981 1.00 0.00 N ATOM 488 CA LEU A 33 -8.427 7.677 1.745 1.00 0.00 C ATOM 489 C LEU A 33 -7.161 8.162 1.101 1.00 0.00 C ATOM 490 O LEU A 33 -6.191 7.438 1.145 1.00 0.00 O ATOM 491 CB LEU A 33 -9.643 7.851 0.857 1.00 0.00 C ATOM 492 CG LEU A 33 -10.571 6.721 1.287 1.00 0.00 C ATOM 493 CD1 LEU A 33 -11.981 7.295 1.372 1.00 0.00 C ATOM 494 CD2 LEU A 33 -10.399 5.622 0.230 1.00 0.00 C ATOM 0 H LEU A 33 -9.593 8.831 3.009 1.00 0.00 H new ATOM 0 HA LEU A 33 -8.260 6.615 1.924 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -10.107 8.827 1.001 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -9.382 7.775 -0.199 1.00 0.00 H new ATOM 0 HG LEU A 33 -10.353 6.292 2.265 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -12.675 6.512 1.678 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -12.001 8.104 2.103 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -12.276 7.680 0.396 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -11.040 4.776 0.478 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -10.676 6.013 -0.749 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -9.359 5.296 0.210 1.00 0.00 H new ATOM 506 N VAL A 34 -7.132 9.371 0.565 1.00 0.00 N ATOM 507 CA VAL A 34 -5.957 10.038 -0.004 1.00 0.00 C ATOM 508 C VAL A 34 -4.744 10.008 0.927 1.00 0.00 C ATOM 509 O VAL A 34 -3.593 10.006 0.515 1.00 0.00 O ATOM 510 CB VAL A 34 -6.417 11.447 -0.359 1.00 0.00 C ATOM 511 CG1 VAL A 34 -5.342 12.544 -0.393 1.00 0.00 C ATOM 512 CG2 VAL A 34 -7.157 11.429 -1.697 1.00 0.00 C ATOM 0 H VAL A 34 -7.969 9.951 0.509 1.00 0.00 H new ATOM 0 HA VAL A 34 -5.597 9.516 -0.891 1.00 0.00 H new ATOM 0 HB VAL A 34 -7.065 11.725 0.472 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -5.802 13.496 -0.658 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -4.876 12.627 0.589 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -4.584 12.288 -1.134 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -7.484 12.439 -1.946 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -6.490 11.061 -2.477 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -8.026 10.775 -1.624 1.00 0.00 H new ATOM 522 N LYS A 35 -4.991 9.961 2.211 1.00 0.00 N ATOM 523 CA LYS A 35 -4.020 9.988 3.272 1.00 0.00 C ATOM 524 C LYS A 35 -3.484 8.594 3.537 1.00 0.00 C ATOM 525 O LYS A 35 -2.306 8.468 3.839 1.00 0.00 O ATOM 526 CB LYS A 35 -4.804 10.649 4.372 1.00 0.00 C ATOM 527 CG LYS A 35 -4.198 10.659 5.741 1.00 0.00 C ATOM 528 CD LYS A 35 -5.227 11.446 6.564 1.00 0.00 C ATOM 529 CE LYS A 35 -5.060 11.534 8.069 1.00 0.00 C ATOM 530 NZ LYS A 35 -6.316 12.080 8.634 1.00 0.00 N ATOM 0 H LYS A 35 -5.945 9.898 2.567 1.00 0.00 H new ATOM 0 HA LYS A 35 -3.095 10.535 3.087 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -4.990 11.682 4.079 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -5.774 10.156 4.437 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -4.057 9.650 6.128 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -3.221 11.142 5.747 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -5.248 12.464 6.176 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -6.207 11.010 6.368 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -4.849 10.550 8.488 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -4.216 12.176 8.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -6.096 12.879 9.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -6.931 12.406 7.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -6.804 11.339 9.176 1.00 0.00 H new ATOM 544 N LEU A 36 -4.279 7.553 3.325 1.00 0.00 N ATOM 545 CA LEU A 36 -3.906 6.176 3.220 1.00 0.00 C ATOM 546 C LEU A 36 -3.243 6.003 1.858 1.00 0.00 C ATOM 547 O LEU A 36 -2.291 5.230 1.796 1.00 0.00 O ATOM 548 CB LEU A 36 -5.174 5.316 3.511 1.00 0.00 C ATOM 549 CG LEU A 36 -5.483 5.367 5.019 1.00 0.00 C ATOM 550 CD1 LEU A 36 -6.906 4.938 5.342 1.00 0.00 C ATOM 551 CD2 LEU A 36 -4.541 4.555 5.893 1.00 0.00 C ATOM 0 H LEU A 36 -5.285 7.678 3.215 1.00 0.00 H new ATOM 0 HA LEU A 36 -3.171 5.834 3.948 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -6.023 5.693 2.940 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -5.010 4.286 3.195 1.00 0.00 H new ATOM 0 HG LEU A 36 -5.340 6.421 5.257 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -7.067 4.994 6.419 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -7.609 5.599 4.835 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -7.063 3.914 5.004 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -4.838 4.653 6.937 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -4.586 3.506 5.600 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -3.522 4.923 5.770 1.00 0.00 H new ATOM 563 N VAL A 37 -3.647 6.734 0.795 1.00 0.00 N ATOM 564 CA VAL A 37 -3.014 6.673 -0.488 1.00 0.00 C ATOM 565 C VAL A 37 -1.569 7.111 -0.274 1.00 0.00 C ATOM 566 O VAL A 37 -0.644 6.384 -0.598 1.00 0.00 O ATOM 567 CB VAL A 37 -3.784 7.436 -1.617 1.00 0.00 C ATOM 568 CG1 VAL A 37 -5.272 7.151 -1.877 1.00 0.00 C ATOM 569 CG2 VAL A 37 -3.294 8.764 -2.230 1.00 0.00 C ATOM 0 H VAL A 37 -4.433 7.382 0.832 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.031 5.656 -0.880 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.190 6.731 -2.198 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -5.625 7.777 -2.696 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -5.401 6.101 -2.141 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -5.847 7.372 -0.978 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -3.999 9.094 -2.993 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -3.224 9.521 -1.449 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -2.313 8.616 -2.682 1.00 0.00 H new ATOM 579 N THR A 38 -1.382 8.241 0.397 1.00 0.00 N ATOM 580 CA THR A 38 -0.095 8.829 0.696 1.00 0.00 C ATOM 581 C THR A 38 0.647 7.979 1.706 1.00 0.00 C ATOM 582 O THR A 38 1.846 7.817 1.542 1.00 0.00 O ATOM 583 CB THR A 38 -0.224 10.297 1.041 1.00 0.00 C ATOM 584 OG1 THR A 38 0.252 11.150 0.007 1.00 0.00 O ATOM 585 CG2 THR A 38 0.360 10.763 2.381 1.00 0.00 C ATOM 0 H THR A 38 -2.160 8.791 0.760 1.00 0.00 H new ATOM 0 HA THR A 38 0.533 8.826 -0.195 1.00 0.00 H new ATOM 0 HB THR A 38 -1.305 10.387 1.151 1.00 0.00 H new ATOM 0 HG1 THR A 38 0.471 10.615 -0.784 1.00 0.00 H new ATOM 0 HG21 THR A 38 0.196 11.834 2.496 1.00 0.00 H new ATOM 0 HG22 THR A 38 -0.131 10.231 3.196 1.00 0.00 H new ATOM 0 HG23 THR A 38 1.430 10.555 2.404 1.00 0.00 H new ATOM 593 N HIS A 39 -0.017 7.370 2.697 1.00 0.00 N ATOM 594 CA HIS A 39 0.667 6.437 3.555 1.00 0.00 C ATOM 595 C HIS A 39 1.169 5.231 2.753 1.00 0.00 C ATOM 596 O HIS A 39 2.175 4.644 3.146 1.00 0.00 O ATOM 597 CB HIS A 39 -0.199 5.997 4.720 1.00 0.00 C ATOM 598 CG HIS A 39 0.673 5.616 5.881 1.00 0.00 C ATOM 599 ND1 HIS A 39 1.437 6.456 6.659 1.00 0.00 N ATOM 600 CD2 HIS A 39 0.951 4.341 6.266 1.00 0.00 C ATOM 601 CE1 HIS A 39 2.108 5.699 7.540 1.00 0.00 C ATOM 602 NE2 HIS A 39 1.792 4.399 7.381 1.00 0.00 N ATOM 0 H HIS A 39 -1.005 7.512 2.909 1.00 0.00 H new ATOM 0 HA HIS A 39 1.530 6.952 3.977 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -0.874 6.802 5.009 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -0.820 5.151 4.425 1.00 0.00 H new ATOM 0 HD1 HIS A 39 1.484 7.472 6.580 1.00 0.00 H new ATOM 0 HD2 HIS A 39 0.586 3.441 5.793 1.00 0.00 H new ATOM 0 HE1 HIS A 39 2.804 6.078 8.274 1.00 0.00 H new ATOM 610 N PHE A 40 0.535 4.862 1.627 1.00 0.00 N ATOM 611 CA PHE A 40 1.127 3.857 0.740 1.00 0.00 C ATOM 612 C PHE A 40 2.440 4.424 0.225 1.00 0.00 C ATOM 613 O PHE A 40 3.493 3.805 0.371 1.00 0.00 O ATOM 614 CB PHE A 40 0.212 3.430 -0.429 1.00 0.00 C ATOM 615 CG PHE A 40 0.728 2.216 -1.187 1.00 0.00 C ATOM 616 CD1 PHE A 40 1.858 2.307 -2.020 1.00 0.00 C ATOM 617 CD2 PHE A 40 0.091 0.972 -1.048 1.00 0.00 C ATOM 618 CE1 PHE A 40 2.377 1.150 -2.623 1.00 0.00 C ATOM 619 CE2 PHE A 40 0.601 -0.178 -1.679 1.00 0.00 C ATOM 620 CZ PHE A 40 1.750 -0.091 -2.466 1.00 0.00 C ATOM 0 H PHE A 40 -0.363 5.235 1.319 1.00 0.00 H new ATOM 0 HA PHE A 40 1.282 2.943 1.313 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -0.783 3.211 -0.041 1.00 0.00 H new ATOM 0 HB3 PHE A 40 0.107 4.265 -1.122 1.00 0.00 H new ATOM 0 HD1 PHE A 40 2.325 3.265 -2.195 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -0.804 0.897 -0.448 1.00 0.00 H new ATOM 0 HE1 PHE A 40 3.276 1.219 -3.218 1.00 0.00 H new ATOM 0 HE2 PHE A 40 0.103 -1.128 -1.554 1.00 0.00 H new ATOM 0 HZ PHE A 40 2.150 -0.971 -2.948 1.00 0.00 H new ATOM 630 N GLU A 41 2.378 5.615 -0.357 1.00 0.00 N ATOM 631 CA GLU A 41 3.525 6.342 -0.871 1.00 0.00 C ATOM 632 C GLU A 41 4.657 6.501 0.147 1.00 0.00 C ATOM 633 O GLU A 41 5.835 6.465 -0.212 1.00 0.00 O ATOM 634 CB GLU A 41 3.127 7.628 -1.546 1.00 0.00 C ATOM 635 CG GLU A 41 1.922 7.577 -2.459 1.00 0.00 C ATOM 636 CD GLU A 41 1.663 8.945 -3.087 1.00 0.00 C ATOM 637 OE1 GLU A 41 1.043 9.793 -2.400 1.00 0.00 O ATOM 638 OE2 GLU A 41 2.091 9.112 -4.255 1.00 0.00 O ATOM 0 H GLU A 41 1.498 6.115 -0.487 1.00 0.00 H new ATOM 0 HA GLU A 41 3.956 5.716 -1.653 1.00 0.00 H new ATOM 0 HB2 GLU A 41 2.935 8.372 -0.773 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.978 7.984 -2.127 1.00 0.00 H new ATOM 0 HG2 GLU A 41 2.084 6.836 -3.242 1.00 0.00 H new ATOM 0 HG3 GLU A 41 1.045 7.258 -1.895 1.00 0.00 H new ATOM 645 N GLU A 42 4.290 6.592 1.421 1.00 0.00 N ATOM 646 CA GLU A 42 5.149 6.752 2.564 1.00 0.00 C ATOM 647 C GLU A 42 5.942 5.473 2.781 1.00 0.00 C ATOM 648 O GLU A 42 7.167 5.441 2.906 1.00 0.00 O ATOM 649 CB GLU A 42 4.313 7.143 3.757 1.00 0.00 C ATOM 650 CG GLU A 42 4.876 8.130 4.760 1.00 0.00 C ATOM 651 CD GLU A 42 4.064 8.197 6.063 1.00 0.00 C ATOM 652 OE1 GLU A 42 2.906 8.676 6.023 1.00 0.00 O ATOM 653 OE2 GLU A 42 4.598 7.786 7.117 1.00 0.00 O ATOM 0 H GLU A 42 3.307 6.551 1.690 1.00 0.00 H new ATOM 0 HA GLU A 42 5.874 7.550 2.404 1.00 0.00 H new ATOM 0 HB2 GLU A 42 3.376 7.555 3.381 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.065 6.230 4.298 1.00 0.00 H new ATOM 0 HG2 GLU A 42 5.904 7.854 4.994 1.00 0.00 H new ATOM 0 HG3 GLU A 42 4.907 9.121 4.307 1.00 0.00 H new ATOM 660 N MET A 43 5.163 4.404 2.828 1.00 0.00 N ATOM 661 CA MET A 43 5.509 3.117 3.342 1.00 0.00 C ATOM 662 C MET A 43 6.582 2.460 2.507 1.00 0.00 C ATOM 663 O MET A 43 7.571 1.942 3.024 1.00 0.00 O ATOM 664 CB MET A 43 4.229 2.274 3.273 1.00 0.00 C ATOM 665 CG MET A 43 3.445 2.372 4.563 1.00 0.00 C ATOM 666 SD MET A 43 4.060 1.171 5.735 1.00 0.00 S ATOM 667 CE MET A 43 3.312 1.812 7.224 1.00 0.00 C ATOM 0 H MET A 43 4.205 4.430 2.479 1.00 0.00 H new ATOM 0 HA MET A 43 5.897 3.206 4.357 1.00 0.00 H new ATOM 0 HB2 MET A 43 3.611 2.612 2.441 1.00 0.00 H new ATOM 0 HB3 MET A 43 4.485 1.233 3.077 1.00 0.00 H new ATOM 0 HG2 MET A 43 3.532 3.376 4.977 1.00 0.00 H new ATOM 0 HG3 MET A 43 2.386 2.197 4.371 1.00 0.00 H new ATOM 0 HE1 MET A 43 3.499 1.126 8.050 1.00 0.00 H new ATOM 0 HE2 MET A 43 3.742 2.786 7.457 1.00 0.00 H new ATOM 0 HE3 MET A 43 2.237 1.916 7.075 1.00 0.00 H new ATOM 677 N THR A 44 6.340 2.430 1.204 1.00 0.00 N ATOM 678 CA THR A 44 6.991 1.466 0.352 1.00 0.00 C ATOM 679 C THR A 44 8.219 1.941 -0.404 1.00 0.00 C ATOM 680 O THR A 44 8.788 1.121 -1.141 1.00 0.00 O ATOM 681 CB THR A 44 5.911 0.904 -0.561 1.00 0.00 C ATOM 682 OG1 THR A 44 6.434 -0.127 -1.350 1.00 0.00 O ATOM 683 CG2 THR A 44 5.290 1.958 -1.460 1.00 0.00 C ATOM 0 H THR A 44 5.700 3.062 0.723 1.00 0.00 H new ATOM 0 HA THR A 44 7.433 0.699 0.988 1.00 0.00 H new ATOM 0 HB THR A 44 5.123 0.522 0.088 1.00 0.00 H new ATOM 0 HG1 THR A 44 7.384 0.041 -1.520 1.00 0.00 H new ATOM 0 HG21 THR A 44 4.527 1.497 -2.088 1.00 0.00 H new ATOM 0 HG22 THR A 44 4.835 2.736 -0.848 1.00 0.00 H new ATOM 0 HG23 THR A 44 6.062 2.398 -2.091 1.00 0.00 H new ATOM 691 N GLU A 45 8.622 3.209 -0.267 1.00 0.00 N ATOM 692 CA GLU A 45 9.836 3.713 -0.910 1.00 0.00 C ATOM 693 C GLU A 45 9.758 3.548 -2.448 1.00 0.00 C ATOM 694 O GLU A 45 10.795 3.352 -3.094 1.00 0.00 O ATOM 695 CB GLU A 45 11.055 2.940 -0.388 1.00 0.00 C ATOM 696 CG GLU A 45 11.169 2.559 1.093 1.00 0.00 C ATOM 697 CD GLU A 45 11.850 1.182 1.151 1.00 0.00 C ATOM 698 OE1 GLU A 45 13.076 1.143 0.883 1.00 0.00 O ATOM 699 OE2 GLU A 45 11.144 0.142 1.161 1.00 0.00 O ATOM 0 H GLU A 45 8.122 3.905 0.286 1.00 0.00 H new ATOM 0 HA GLU A 45 9.931 4.773 -0.673 1.00 0.00 H new ATOM 0 HB2 GLU A 45 11.118 2.016 -0.962 1.00 0.00 H new ATOM 0 HB3 GLU A 45 11.938 3.529 -0.636 1.00 0.00 H new ATOM 0 HG2 GLU A 45 11.752 3.301 1.638 1.00 0.00 H new ATOM 0 HG3 GLU A 45 10.184 2.522 1.559 1.00 0.00 H new ATOM 706 N HIS A 46 8.544 3.467 -3.012 1.00 0.00 N ATOM 707 CA HIS A 46 8.296 2.877 -4.324 1.00 0.00 C ATOM 708 C HIS A 46 8.128 3.936 -5.415 1.00 0.00 C ATOM 709 O HIS A 46 7.589 5.004 -5.143 1.00 0.00 O ATOM 710 CB HIS A 46 7.026 2.010 -4.243 1.00 0.00 C ATOM 711 CG HIS A 46 6.601 1.256 -5.485 1.00 0.00 C ATOM 712 ND1 HIS A 46 5.535 1.580 -6.297 1.00 0.00 N ATOM 713 CD2 HIS A 46 7.136 0.095 -5.981 1.00 0.00 C ATOM 714 CE1 HIS A 46 5.496 0.679 -7.296 1.00 0.00 C ATOM 715 NE2 HIS A 46 6.444 -0.246 -7.133 1.00 0.00 N ATOM 0 H HIS A 46 7.699 3.816 -2.559 1.00 0.00 H new ATOM 0 HA HIS A 46 9.162 2.273 -4.594 1.00 0.00 H new ATOM 0 HB2 HIS A 46 7.168 1.283 -3.443 1.00 0.00 H new ATOM 0 HB3 HIS A 46 6.200 2.655 -3.945 1.00 0.00 H new ATOM 0 HD1 HIS A 46 4.892 2.361 -6.165 1.00 0.00 H new ATOM 0 HD2 HIS A 46 7.956 -0.459 -5.548 1.00 0.00 H new ATOM 0 HE1 HIS A 46 4.794 0.701 -8.117 1.00 0.00 H new ATOM 723 N PRO A 47 8.480 3.594 -6.665 1.00 0.00 N ATOM 724 CA PRO A 47 8.160 4.364 -7.866 1.00 0.00 C ATOM 725 C PRO A 47 6.728 4.891 -7.985 1.00 0.00 C ATOM 726 O PRO A 47 6.508 6.090 -8.112 1.00 0.00 O ATOM 727 CB PRO A 47 8.485 3.436 -9.044 1.00 0.00 C ATOM 728 CG PRO A 47 9.144 2.189 -8.442 1.00 0.00 C ATOM 729 CD PRO A 47 9.338 2.460 -6.993 1.00 0.00 C ATOM 0 HA PRO A 47 8.748 5.281 -7.838 1.00 0.00 H new ATOM 0 HB2 PRO A 47 7.580 3.172 -9.591 1.00 0.00 H new ATOM 0 HB3 PRO A 47 9.154 3.926 -9.752 1.00 0.00 H new ATOM 0 HG2 PRO A 47 8.516 1.311 -8.590 1.00 0.00 H new ATOM 0 HG3 PRO A 47 10.098 1.984 -8.928 1.00 0.00 H new ATOM 0 HD2 PRO A 47 9.073 1.587 -6.396 1.00 0.00 H new ATOM 0 HD3 PRO A 47 10.382 2.688 -6.777 1.00 0.00 H new ATOM 737 N SER A 48 5.767 3.978 -8.015 1.00 0.00 N ATOM 738 CA SER A 48 4.435 4.186 -8.543 1.00 0.00 C ATOM 739 C SER A 48 3.460 4.347 -7.387 1.00 0.00 C ATOM 740 O SER A 48 2.490 3.642 -7.273 1.00 0.00 O ATOM 741 CB SER A 48 4.114 3.079 -9.557 1.00 0.00 C ATOM 742 OG SER A 48 4.635 3.408 -10.824 1.00 0.00 O ATOM 0 H SER A 48 5.905 3.033 -7.656 1.00 0.00 H new ATOM 0 HA SER A 48 4.350 5.113 -9.110 1.00 0.00 H new ATOM 0 HB2 SER A 48 4.536 2.133 -9.218 1.00 0.00 H new ATOM 0 HB3 SER A 48 3.035 2.941 -9.625 1.00 0.00 H new ATOM 0 HG SER A 48 3.997 3.978 -11.302 1.00 0.00 H new ATOM 748 N GLY A 49 3.776 5.233 -6.471 1.00 0.00 N ATOM 749 CA GLY A 49 3.081 5.522 -5.224 1.00 0.00 C ATOM 750 C GLY A 49 1.566 5.652 -5.411 1.00 0.00 C ATOM 751 O GLY A 49 0.832 4.677 -5.279 1.00 0.00 O ATOM 0 H GLY A 49 4.598 5.826 -6.584 1.00 0.00 H new ATOM 0 HA2 GLY A 49 3.288 4.730 -4.505 1.00 0.00 H new ATOM 0 HA3 GLY A 49 3.472 6.447 -4.800 1.00 0.00 H new ATOM 755 N SER A 50 1.090 6.848 -5.737 1.00 0.00 N ATOM 756 CA SER A 50 -0.320 7.118 -6.019 1.00 0.00 C ATOM 757 C SER A 50 -0.606 6.733 -7.479 1.00 0.00 C ATOM 758 O SER A 50 -1.242 7.488 -8.218 1.00 0.00 O ATOM 759 CB SER A 50 -0.654 8.584 -5.679 1.00 0.00 C ATOM 760 OG SER A 50 -2.005 8.882 -5.980 1.00 0.00 O ATOM 0 H SER A 50 1.682 7.675 -5.815 1.00 0.00 H new ATOM 0 HA SER A 50 -0.976 6.515 -5.391 1.00 0.00 H new ATOM 0 HB2 SER A 50 -0.465 8.767 -4.621 1.00 0.00 H new ATOM 0 HB3 SER A 50 0.002 9.249 -6.240 1.00 0.00 H new ATOM 0 HG SER A 50 -2.234 8.513 -6.859 1.00 0.00 H new ATOM 766 N ASP A 51 -0.122 5.569 -7.910 1.00 0.00 N ATOM 767 CA ASP A 51 -0.190 5.076 -9.266 1.00 0.00 C ATOM 768 C ASP A 51 -0.583 3.634 -9.107 1.00 0.00 C ATOM 769 O ASP A 51 -1.618 3.268 -9.659 1.00 0.00 O ATOM 770 CB ASP A 51 1.167 5.188 -9.948 1.00 0.00 C ATOM 771 CG ASP A 51 1.239 4.707 -11.396 1.00 0.00 C ATOM 772 OD1 ASP A 51 0.233 4.837 -12.118 1.00 0.00 O ATOM 773 OD2 ASP A 51 2.351 4.255 -11.769 1.00 0.00 O ATOM 0 H ASP A 51 0.351 4.918 -7.283 1.00 0.00 H new ATOM 0 HA ASP A 51 -0.890 5.639 -9.883 1.00 0.00 H new ATOM 0 HB2 ASP A 51 1.480 6.232 -9.918 1.00 0.00 H new ATOM 0 HB3 ASP A 51 1.892 4.622 -9.363 1.00 0.00 H new ATOM 778 N LEU A 52 0.086 2.860 -8.218 1.00 0.00 N ATOM 779 CA LEU A 52 -0.271 1.458 -8.056 1.00 0.00 C ATOM 780 C LEU A 52 -1.288 1.346 -6.994 1.00 0.00 C ATOM 781 O LEU A 52 -1.149 0.649 -5.995 1.00 0.00 O ATOM 782 CB LEU A 52 0.830 0.473 -7.796 1.00 0.00 C ATOM 783 CG LEU A 52 2.025 0.788 -6.942 1.00 0.00 C ATOM 784 CD1 LEU A 52 1.761 1.420 -5.600 1.00 0.00 C ATOM 785 CD2 LEU A 52 2.696 -0.525 -6.658 1.00 0.00 C ATOM 0 H LEU A 52 0.851 3.184 -7.626 1.00 0.00 H new ATOM 0 HA LEU A 52 -0.636 1.168 -9.041 1.00 0.00 H new ATOM 0 HB2 LEU A 52 0.360 -0.408 -7.358 1.00 0.00 H new ATOM 0 HB3 LEU A 52 1.216 0.176 -8.771 1.00 0.00 H new ATOM 0 HG LEU A 52 2.603 1.521 -7.506 1.00 0.00 H new ATOM 0 HD11 LEU A 52 2.707 1.594 -5.088 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.244 2.369 -5.740 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.141 0.754 -5.000 1.00 0.00 H new ATOM 0 HD21 LEU A 52 3.576 -0.357 -6.037 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.002 -1.182 -6.134 1.00 0.00 H new ATOM 0 HD23 LEU A 52 2.997 -0.990 -7.597 1.00 0.00 H new ATOM 797 N ILE A 53 -2.307 2.123 -7.218 1.00 0.00 N ATOM 798 CA ILE A 53 -3.357 2.282 -6.314 1.00 0.00 C ATOM 799 C ILE A 53 -4.610 2.217 -7.182 1.00 0.00 C ATOM 800 O ILE A 53 -5.527 1.493 -6.812 1.00 0.00 O ATOM 801 CB ILE A 53 -3.009 3.492 -5.453 1.00 0.00 C ATOM 802 CG1 ILE A 53 -1.867 3.065 -4.488 1.00 0.00 C ATOM 803 CG2 ILE A 53 -4.250 3.945 -4.702 1.00 0.00 C ATOM 804 CD1 ILE A 53 -2.249 2.030 -3.480 1.00 0.00 C ATOM 0 H ILE A 53 -2.413 2.673 -8.071 1.00 0.00 H new ATOM 0 HA ILE A 53 -3.545 1.532 -5.545 1.00 0.00 H new ATOM 0 HB ILE A 53 -2.669 4.335 -6.055 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -1.034 2.685 -5.080 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -1.507 3.949 -3.961 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -4.006 4.810 -4.085 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -5.028 4.216 -5.415 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -4.607 3.135 -4.066 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -1.388 1.797 -2.853 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -3.059 2.410 -2.857 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -2.579 1.127 -3.993 1.00 0.00 H new ATOM 816 N TYR A 54 -4.605 2.838 -8.383 1.00 0.00 N ATOM 817 CA TYR A 54 -5.733 2.760 -9.308 1.00 0.00 C ATOM 818 C TYR A 54 -5.449 3.003 -10.806 1.00 0.00 C ATOM 819 O TYR A 54 -6.225 2.550 -11.654 1.00 0.00 O ATOM 820 CB TYR A 54 -6.696 3.881 -8.986 1.00 0.00 C ATOM 821 CG TYR A 54 -6.981 4.282 -7.538 1.00 0.00 C ATOM 822 CD1 TYR A 54 -7.646 3.408 -6.654 1.00 0.00 C ATOM 823 CD2 TYR A 54 -6.528 5.527 -7.048 1.00 0.00 C ATOM 824 CE1 TYR A 54 -8.001 3.816 -5.357 1.00 0.00 C ATOM 825 CE2 TYR A 54 -6.780 5.892 -5.712 1.00 0.00 C ATOM 826 CZ TYR A 54 -7.589 5.081 -4.892 1.00 0.00 C ATOM 827 OH TYR A 54 -7.905 5.497 -3.640 1.00 0.00 O ATOM 0 H TYR A 54 -3.824 3.398 -8.725 1.00 0.00 H new ATOM 0 HA TYR A 54 -6.077 1.734 -9.174 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -6.332 4.772 -9.498 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -7.652 3.621 -9.439 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -7.887 2.407 -6.979 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -5.988 6.199 -7.699 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -8.585 3.166 -4.722 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -6.351 6.799 -5.313 1.00 0.00 H new ATOM 0 HH TYR A 54 -7.538 6.393 -3.491 1.00 0.00 H new ATOM 837 N TYR A 55 -4.411 3.784 -11.140 1.00 0.00 N ATOM 838 CA TYR A 55 -3.997 4.045 -12.515 1.00 0.00 C ATOM 839 C TYR A 55 -3.236 2.903 -13.241 1.00 0.00 C ATOM 840 O TYR A 55 -2.982 3.080 -14.435 1.00 0.00 O ATOM 841 CB TYR A 55 -3.199 5.363 -12.564 1.00 0.00 C ATOM 842 CG TYR A 55 -3.763 6.364 -13.557 1.00 0.00 C ATOM 843 CD1 TYR A 55 -3.422 6.267 -14.919 1.00 0.00 C ATOM 844 CD2 TYR A 55 -4.658 7.365 -13.130 1.00 0.00 C ATOM 845 CE1 TYR A 55 -3.975 7.154 -15.857 1.00 0.00 C ATOM 846 CE2 TYR A 55 -5.213 8.263 -14.061 1.00 0.00 C ATOM 847 CZ TYR A 55 -4.876 8.156 -15.429 1.00 0.00 C ATOM 848 OH TYR A 55 -5.425 9.012 -16.335 1.00 0.00 O ATOM 0 H TYR A 55 -3.830 4.257 -10.447 1.00 0.00 H new ATOM 0 HA TYR A 55 -4.925 4.121 -13.082 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -3.189 5.812 -11.571 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -2.164 5.144 -12.826 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -2.730 5.505 -15.245 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -4.919 7.443 -12.085 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -3.713 7.071 -16.901 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -5.895 9.032 -13.730 1.00 0.00 H new ATOM 0 HH TYR A 55 -6.022 9.637 -15.874 1.00 0.00 H new ATOM 858 N PRO A 56 -2.886 1.736 -12.648 1.00 0.00 N ATOM 859 CA PRO A 56 -2.411 0.573 -13.400 1.00 0.00 C ATOM 860 C PRO A 56 -3.629 -0.040 -14.110 1.00 0.00 C ATOM 861 O PRO A 56 -4.673 0.626 -14.167 1.00 0.00 O ATOM 862 CB PRO A 56 -1.750 -0.360 -12.370 1.00 0.00 C ATOM 863 CG PRO A 56 -2.083 0.304 -11.040 1.00 0.00 C ATOM 864 CD PRO A 56 -3.221 1.198 -11.349 1.00 0.00 C ATOM 0 HA PRO A 56 -1.675 0.799 -14.172 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -2.151 -1.372 -12.427 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -0.674 -0.434 -12.525 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -2.351 -0.434 -10.284 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -1.232 0.864 -10.651 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -4.165 0.653 -11.372 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -3.326 1.986 -10.603 1.00 0.00 H new ATOM 872 N LYS A 57 -3.517 -1.294 -14.606 1.00 0.00 N ATOM 873 CA LYS A 57 -4.593 -2.264 -14.967 1.00 0.00 C ATOM 874 C LYS A 57 -4.456 -2.838 -16.367 1.00 0.00 C ATOM 875 O LYS A 57 -5.213 -3.711 -16.783 1.00 0.00 O ATOM 876 CB LYS A 57 -5.945 -1.637 -14.761 1.00 0.00 C ATOM 877 CG LYS A 57 -7.198 -2.462 -14.933 1.00 0.00 C ATOM 878 CD LYS A 57 -8.279 -1.821 -14.054 1.00 0.00 C ATOM 879 CE LYS A 57 -8.402 -0.268 -14.052 1.00 0.00 C ATOM 880 NZ LYS A 57 -7.419 0.420 -13.165 1.00 0.00 N ATOM 0 H LYS A 57 -2.595 -1.694 -14.781 1.00 0.00 H new ATOM 0 HA LYS A 57 -4.484 -3.116 -14.296 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -5.962 -1.230 -13.750 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -6.017 -0.792 -15.446 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -7.509 -2.478 -15.978 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -7.023 -3.496 -14.637 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -9.242 -2.231 -14.359 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -8.107 -2.143 -13.027 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -8.273 0.097 -15.071 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -9.410 0.005 -13.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -7.832 1.306 -12.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -7.184 -0.198 -12.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -6.555 0.632 -13.703 1.00 0.00 H new ATOM 894 N GLU A 58 -3.479 -2.331 -17.112 1.00 0.00 N ATOM 895 CA GLU A 58 -3.525 -2.433 -18.575 1.00 0.00 C ATOM 896 C GLU A 58 -2.575 -3.378 -19.288 1.00 0.00 C ATOM 897 O GLU A 58 -2.730 -3.832 -20.420 1.00 0.00 O ATOM 898 CB GLU A 58 -3.558 -1.048 -19.121 1.00 0.00 C ATOM 899 CG GLU A 58 -4.258 -0.970 -20.481 1.00 0.00 C ATOM 900 CD GLU A 58 -4.326 0.444 -21.074 1.00 0.00 C ATOM 901 OE1 GLU A 58 -3.274 0.930 -21.546 1.00 0.00 O ATOM 902 OE2 GLU A 58 -5.446 1.004 -21.108 1.00 0.00 O ATOM 0 H GLU A 58 -2.658 -1.853 -16.740 1.00 0.00 H new ATOM 0 HA GLU A 58 -4.441 -2.977 -18.807 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -4.070 -0.395 -18.415 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -2.538 -0.675 -19.219 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -3.737 -1.621 -21.183 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -5.271 -1.358 -20.378 1.00 0.00 H new ATOM 909 N GLY A 59 -1.646 -3.742 -18.470 1.00 0.00 N ATOM 910 CA GLY A 59 -0.783 -4.888 -18.514 1.00 0.00 C ATOM 911 C GLY A 59 -0.474 -5.248 -17.070 1.00 0.00 C ATOM 912 O GLY A 59 0.517 -5.934 -16.839 1.00 0.00 O ATOM 0 H GLY A 59 -1.444 -3.173 -17.648 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -1.267 -5.719 -19.026 1.00 0.00 H new ATOM 0 HA3 GLY A 59 0.132 -4.664 -19.063 1.00 0.00 H new ATOM 916 N ASP A 60 -1.268 -4.735 -16.114 1.00 0.00 N ATOM 917 CA ASP A 60 -0.984 -4.841 -14.708 1.00 0.00 C ATOM 918 C ASP A 60 -2.229 -5.286 -14.009 1.00 0.00 C ATOM 919 O ASP A 60 -3.345 -5.137 -14.507 1.00 0.00 O ATOM 920 CB ASP A 60 -0.470 -3.507 -14.139 1.00 0.00 C ATOM 921 CG ASP A 60 0.272 -3.693 -12.796 1.00 0.00 C ATOM 922 OD1 ASP A 60 0.723 -4.827 -12.522 1.00 0.00 O ATOM 923 OD2 ASP A 60 0.405 -2.708 -12.040 1.00 0.00 O ATOM 0 H ASP A 60 -2.132 -4.232 -16.319 1.00 0.00 H new ATOM 0 HA ASP A 60 -0.192 -5.573 -14.548 1.00 0.00 H new ATOM 0 HB2 ASP A 60 0.200 -3.040 -14.861 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -1.310 -2.827 -13.997 1.00 0.00 H new ATOM 928 N ASP A 61 -1.966 -5.842 -12.853 1.00 0.00 N ATOM 929 CA ASP A 61 -2.940 -6.268 -11.882 1.00 0.00 C ATOM 930 C ASP A 61 -3.004 -5.246 -10.755 1.00 0.00 C ATOM 931 O ASP A 61 -2.274 -5.347 -9.780 1.00 0.00 O ATOM 932 CB ASP A 61 -2.764 -7.693 -11.423 1.00 0.00 C ATOM 933 CG ASP A 61 -3.759 -8.119 -10.333 1.00 0.00 C ATOM 934 OD1 ASP A 61 -4.871 -7.544 -10.279 1.00 0.00 O ATOM 935 OD2 ASP A 61 -3.434 -9.045 -9.552 1.00 0.00 O ATOM 0 H ASP A 61 -1.009 -6.019 -12.548 1.00 0.00 H new ATOM 0 HA ASP A 61 -3.917 -6.296 -12.364 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -2.872 -8.357 -12.280 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -1.749 -7.821 -11.046 1.00 0.00 H new ATOM 940 N ASP A 62 -3.833 -4.220 -10.899 1.00 0.00 N ATOM 941 CA ASP A 62 -4.101 -3.201 -9.885 1.00 0.00 C ATOM 942 C ASP A 62 -5.257 -3.672 -8.976 1.00 0.00 C ATOM 943 O ASP A 62 -5.810 -2.850 -8.238 1.00 0.00 O ATOM 944 CB ASP A 62 -4.608 -1.930 -10.585 1.00 0.00 C ATOM 945 CG ASP A 62 -6.042 -2.036 -11.101 1.00 0.00 C ATOM 946 OD1 ASP A 62 -6.348 -3.066 -11.742 1.00 0.00 O ATOM 947 OD2 ASP A 62 -6.789 -1.033 -11.014 1.00 0.00 O ATOM 0 H ASP A 62 -4.360 -4.066 -11.759 1.00 0.00 H new ATOM 0 HA ASP A 62 -3.189 -3.023 -9.315 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -4.544 -1.094 -9.889 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -3.948 -1.700 -11.421 1.00 0.00 H new ATOM 952 N SER A 63 -5.682 -4.950 -9.010 1.00 0.00 N ATOM 953 CA SER A 63 -6.663 -5.408 -8.024 1.00 0.00 C ATOM 954 C SER A 63 -6.109 -5.073 -6.635 1.00 0.00 C ATOM 955 O SER A 63 -4.885 -5.056 -6.508 1.00 0.00 O ATOM 956 CB SER A 63 -6.909 -6.918 -8.093 1.00 0.00 C ATOM 957 OG SER A 63 -7.263 -7.356 -9.384 1.00 0.00 O ATOM 0 H SER A 63 -5.374 -5.653 -9.682 1.00 0.00 H new ATOM 0 HA SER A 63 -7.612 -4.913 -8.229 1.00 0.00 H new ATOM 0 HB2 SER A 63 -6.010 -7.443 -7.770 1.00 0.00 H new ATOM 0 HB3 SER A 63 -7.702 -7.184 -7.394 1.00 0.00 H new ATOM 0 HG SER A 63 -6.476 -7.325 -9.967 1.00 0.00 H new ATOM 963 N PRO A 64 -6.929 -4.922 -5.573 1.00 0.00 N ATOM 964 CA PRO A 64 -6.528 -4.429 -4.249 1.00 0.00 C ATOM 965 C PRO A 64 -5.368 -5.146 -3.568 1.00 0.00 C ATOM 966 O PRO A 64 -4.913 -4.758 -2.503 1.00 0.00 O ATOM 967 CB PRO A 64 -7.767 -4.596 -3.389 1.00 0.00 C ATOM 968 CG PRO A 64 -8.897 -4.342 -4.382 1.00 0.00 C ATOM 969 CD PRO A 64 -8.363 -5.139 -5.565 1.00 0.00 C ATOM 0 HA PRO A 64 -6.162 -3.410 -4.374 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -7.827 -5.593 -2.953 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -7.786 -3.885 -2.563 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -9.859 -4.710 -4.027 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -9.025 -3.284 -4.611 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -8.598 -6.198 -5.461 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -8.814 -4.803 -6.499 1.00 0.00 H new ATOM 977 N SER A 65 -4.966 -6.239 -4.180 1.00 0.00 N ATOM 978 CA SER A 65 -3.967 -7.222 -3.933 1.00 0.00 C ATOM 979 C SER A 65 -2.803 -7.259 -4.882 1.00 0.00 C ATOM 980 O SER A 65 -1.680 -7.250 -4.400 1.00 0.00 O ATOM 981 CB SER A 65 -4.734 -8.526 -3.901 1.00 0.00 C ATOM 982 OG SER A 65 -5.658 -8.670 -4.979 1.00 0.00 O ATOM 0 H SER A 65 -5.449 -6.491 -5.042 1.00 0.00 H new ATOM 0 HA SER A 65 -3.451 -6.990 -3.001 1.00 0.00 H new ATOM 0 HB2 SER A 65 -4.027 -9.355 -3.926 1.00 0.00 H new ATOM 0 HB3 SER A 65 -5.275 -8.597 -2.957 1.00 0.00 H new ATOM 0 HG SER A 65 -6.119 -9.531 -4.902 1.00 0.00 H new ATOM 988 N GLY A 66 -3.064 -7.338 -6.171 1.00 0.00 N ATOM 989 CA GLY A 66 -2.226 -7.155 -7.298 1.00 0.00 C ATOM 990 C GLY A 66 -1.489 -5.854 -7.168 1.00 0.00 C ATOM 991 O GLY A 66 -0.300 -5.901 -7.360 1.00 0.00 O ATOM 0 H GLY A 66 -4.011 -7.566 -6.474 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -1.518 -7.980 -7.376 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -2.821 -7.158 -8.211 1.00 0.00 H new ATOM 995 N ILE A 67 -2.083 -4.745 -6.722 1.00 0.00 N ATOM 996 CA ILE A 67 -1.286 -3.536 -6.558 1.00 0.00 C ATOM 997 C ILE A 67 -0.231 -3.657 -5.481 1.00 0.00 C ATOM 998 O ILE A 67 0.925 -3.257 -5.609 1.00 0.00 O ATOM 999 CB ILE A 67 -2.104 -2.270 -6.248 1.00 0.00 C ATOM 1000 CG1 ILE A 67 -3.190 -2.496 -5.200 1.00 0.00 C ATOM 1001 CG2 ILE A 67 -2.689 -1.570 -7.450 1.00 0.00 C ATOM 1002 CD1 ILE A 67 -4.277 -1.401 -5.063 1.00 0.00 C ATOM 0 H ILE A 67 -3.070 -4.661 -6.478 1.00 0.00 H new ATOM 0 HA ILE A 67 -0.820 -3.430 -7.538 1.00 0.00 H new ATOM 0 HB ILE A 67 -1.351 -1.598 -5.835 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -3.687 -3.440 -5.426 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -2.705 -2.615 -4.231 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -3.246 -0.692 -7.124 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -1.885 -1.263 -8.119 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -3.359 -2.250 -7.976 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -4.985 -1.686 -4.285 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -3.808 -0.454 -4.797 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -4.804 -1.291 -6.011 1.00 0.00 H new ATOM 1014 N VAL A 68 -0.629 -4.254 -4.380 1.00 0.00 N ATOM 1015 CA VAL A 68 0.281 -4.482 -3.270 1.00 0.00 C ATOM 1016 C VAL A 68 1.274 -5.538 -3.714 1.00 0.00 C ATOM 1017 O VAL A 68 2.390 -5.640 -3.229 1.00 0.00 O ATOM 1018 CB VAL A 68 -0.553 -4.930 -2.077 1.00 0.00 C ATOM 1019 CG1 VAL A 68 0.197 -4.726 -0.755 1.00 0.00 C ATOM 1020 CG2 VAL A 68 -1.819 -4.109 -2.007 1.00 0.00 C ATOM 0 H VAL A 68 -1.579 -4.593 -4.225 1.00 0.00 H new ATOM 0 HA VAL A 68 0.836 -3.590 -2.978 1.00 0.00 H new ATOM 0 HB VAL A 68 -0.770 -5.989 -2.214 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -0.429 -5.057 0.073 1.00 0.00 H new ATOM 0 HG12 VAL A 68 1.120 -5.306 -0.767 1.00 0.00 H new ATOM 0 HG13 VAL A 68 0.435 -3.669 -0.631 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -2.415 -4.431 -1.153 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -1.564 -3.055 -1.895 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -2.394 -4.248 -2.923 1.00 0.00 H new ATOM 1030 N ASN A 69 0.853 -6.339 -4.667 1.00 0.00 N ATOM 1031 CA ASN A 69 1.655 -7.209 -5.498 1.00 0.00 C ATOM 1032 C ASN A 69 2.575 -6.480 -6.439 1.00 0.00 C ATOM 1033 O ASN A 69 3.671 -6.967 -6.646 1.00 0.00 O ATOM 1034 CB ASN A 69 0.855 -8.223 -6.236 1.00 0.00 C ATOM 1035 CG ASN A 69 1.238 -9.660 -5.924 1.00 0.00 C ATOM 1036 OD1 ASN A 69 2.405 -10.020 -5.835 1.00 0.00 O ATOM 1037 ND2 ASN A 69 0.248 -10.488 -5.639 1.00 0.00 N ATOM 0 H ASN A 69 -0.138 -6.404 -4.899 1.00 0.00 H new ATOM 0 HA ASN A 69 2.284 -7.738 -4.782 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -0.200 -8.080 -6.001 1.00 0.00 H new ATOM 0 HB3 ASN A 69 0.969 -8.052 -7.306 1.00 0.00 H new ATOM 0 HD21 ASN A 69 0.451 -11.442 -5.340 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -0.719 -10.173 -5.718 1.00 0.00 H new ATOM 1044 N THR A 70 2.196 -5.348 -7.001 1.00 0.00 N ATOM 1045 CA THR A 70 2.996 -4.683 -7.985 1.00 0.00 C ATOM 1046 C THR A 70 4.220 -4.148 -7.233 1.00 0.00 C ATOM 1047 O THR A 70 5.377 -4.287 -7.647 1.00 0.00 O ATOM 1048 CB THR A 70 2.175 -3.562 -8.652 1.00 0.00 C ATOM 1049 OG1 THR A 70 1.039 -4.120 -9.266 1.00 0.00 O ATOM 1050 CG2 THR A 70 2.939 -2.718 -9.672 1.00 0.00 C ATOM 0 H THR A 70 1.322 -4.871 -6.781 1.00 0.00 H new ATOM 0 HA THR A 70 3.313 -5.345 -8.791 1.00 0.00 H new ATOM 0 HB THR A 70 1.906 -2.877 -7.848 1.00 0.00 H new ATOM 0 HG1 THR A 70 0.543 -4.655 -8.611 1.00 0.00 H new ATOM 0 HG21 THR A 70 2.276 -1.958 -10.085 1.00 0.00 H new ATOM 0 HG22 THR A 70 3.785 -2.235 -9.184 1.00 0.00 H new ATOM 0 HG23 THR A 70 3.301 -3.359 -10.476 1.00 0.00 H new ATOM 1058 N VAL A 71 3.959 -3.672 -6.008 1.00 0.00 N ATOM 1059 CA VAL A 71 4.988 -3.389 -5.031 1.00 0.00 C ATOM 1060 C VAL A 71 5.803 -4.608 -4.813 1.00 0.00 C ATOM 1061 O VAL A 71 7.015 -4.533 -4.795 1.00 0.00 O ATOM 1062 CB VAL A 71 4.400 -2.896 -3.694 1.00 0.00 C ATOM 1063 CG1 VAL A 71 4.789 -3.529 -2.347 1.00 0.00 C ATOM 1064 CG2 VAL A 71 4.910 -1.490 -3.638 1.00 0.00 C ATOM 0 H VAL A 71 3.015 -3.475 -5.676 1.00 0.00 H new ATOM 0 HA VAL A 71 5.613 -2.586 -5.421 1.00 0.00 H new ATOM 0 HB VAL A 71 3.335 -3.123 -3.744 1.00 0.00 H new ATOM 0 HG11 VAL A 71 4.255 -3.026 -1.541 1.00 0.00 H new ATOM 0 HG12 VAL A 71 4.525 -4.586 -2.352 1.00 0.00 H new ATOM 0 HG13 VAL A 71 5.863 -3.424 -2.192 1.00 0.00 H new ATOM 0 HG21 VAL A 71 4.561 -1.013 -2.722 1.00 0.00 H new ATOM 0 HG22 VAL A 71 6.000 -1.498 -3.651 1.00 0.00 H new ATOM 0 HG23 VAL A 71 4.541 -0.934 -4.500 1.00 0.00 H new ATOM 1074 N LYS A 72 5.150 -5.734 -4.635 1.00 0.00 N ATOM 1075 CA LYS A 72 5.834 -7.007 -4.398 1.00 0.00 C ATOM 1076 C LYS A 72 6.727 -7.539 -5.488 1.00 0.00 C ATOM 1077 O LYS A 72 7.208 -8.656 -5.391 1.00 0.00 O ATOM 1078 CB LYS A 72 4.828 -8.070 -4.025 1.00 0.00 C ATOM 1079 CG LYS A 72 5.177 -8.408 -2.606 1.00 0.00 C ATOM 1080 CD LYS A 72 4.662 -7.267 -1.740 1.00 0.00 C ATOM 1081 CE LYS A 72 3.475 -7.690 -0.900 1.00 0.00 C ATOM 1082 NZ LYS A 72 2.342 -8.228 -1.689 1.00 0.00 N ATOM 0 H LYS A 72 4.133 -5.804 -4.648 1.00 0.00 H new ATOM 0 HA LYS A 72 6.521 -6.768 -3.586 1.00 0.00 H new ATOM 0 HB2 LYS A 72 3.806 -7.701 -4.109 1.00 0.00 H new ATOM 0 HB3 LYS A 72 4.907 -8.941 -4.675 1.00 0.00 H new ATOM 0 HG2 LYS A 72 4.721 -9.353 -2.311 1.00 0.00 H new ATOM 0 HG3 LYS A 72 6.255 -8.524 -2.491 1.00 0.00 H new ATOM 0 HD2 LYS A 72 5.462 -6.916 -1.088 1.00 0.00 H new ATOM 0 HD3 LYS A 72 4.377 -6.428 -2.375 1.00 0.00 H new ATOM 0 HE2 LYS A 72 3.799 -8.447 -0.186 1.00 0.00 H new ATOM 0 HE3 LYS A 72 3.128 -6.834 -0.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 1.666 -8.695 -1.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 1.866 -7.450 -2.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 2.698 -8.917 -2.382 1.00 0.00 H new ATOM 1096 N GLN A 73 6.913 -6.740 -6.505 1.00 0.00 N ATOM 1097 CA GLN A 73 7.625 -6.976 -7.710 1.00 0.00 C ATOM 1098 C GLN A 73 8.736 -5.949 -7.861 1.00 0.00 C ATOM 1099 O GLN A 73 9.890 -6.328 -7.997 1.00 0.00 O ATOM 1100 CB GLN A 73 6.661 -7.177 -8.887 1.00 0.00 C ATOM 1101 CG GLN A 73 5.787 -8.378 -8.497 1.00 0.00 C ATOM 1102 CD GLN A 73 4.731 -8.785 -9.503 1.00 0.00 C ATOM 1103 OE1 GLN A 73 5.031 -9.290 -10.578 1.00 0.00 O ATOM 1104 NE2 GLN A 73 3.481 -8.599 -9.114 1.00 0.00 N ATOM 0 H GLN A 73 6.517 -5.800 -6.496 1.00 0.00 H new ATOM 0 HA GLN A 73 8.159 -7.926 -7.687 1.00 0.00 H new ATOM 0 HB2 GLN A 73 6.054 -6.287 -9.054 1.00 0.00 H new ATOM 0 HB3 GLN A 73 7.205 -7.370 -9.812 1.00 0.00 H new ATOM 0 HG2 GLN A 73 6.439 -9.233 -8.318 1.00 0.00 H new ATOM 0 HG3 GLN A 73 5.292 -8.151 -7.553 1.00 0.00 H new ATOM 0 HE21 GLN A 73 3.287 -8.173 -8.208 1.00 0.00 H new ATOM 0 HE22 GLN A 73 2.711 -8.881 -9.720 1.00 0.00 H new ATOM 1113 N TRP A 74 8.456 -4.669 -7.636 1.00 0.00 N ATOM 1114 CA TRP A 74 9.461 -3.641 -7.402 1.00 0.00 C ATOM 1115 C TRP A 74 10.247 -3.964 -6.137 1.00 0.00 C ATOM 1116 O TRP A 74 11.437 -4.238 -6.179 1.00 0.00 O ATOM 1117 CB TRP A 74 8.870 -2.265 -7.363 1.00 0.00 C ATOM 1118 CG TRP A 74 9.961 -1.248 -7.544 1.00 0.00 C ATOM 1119 CD1 TRP A 74 10.425 -0.842 -8.737 1.00 0.00 C ATOM 1120 CD2 TRP A 74 10.754 -0.509 -6.581 1.00 0.00 C ATOM 1121 NE1 TRP A 74 11.559 -0.077 -8.593 1.00 0.00 N ATOM 1122 CE2 TRP A 74 11.758 0.237 -7.273 1.00 0.00 C ATOM 1123 CE3 TRP A 74 10.636 -0.292 -5.204 1.00 0.00 C ATOM 1124 CZ2 TRP A 74 12.614 1.140 -6.630 1.00 0.00 C ATOM 1125 CZ3 TRP A 74 11.435 0.663 -4.575 1.00 0.00 C ATOM 1126 CH2 TRP A 74 12.432 1.373 -5.262 1.00 0.00 C ATOM 0 H TRP A 74 7.501 -4.311 -7.611 1.00 0.00 H new ATOM 0 HA TRP A 74 10.151 -3.642 -8.246 1.00 0.00 H new ATOM 0 HB2 TRP A 74 8.122 -2.156 -8.149 1.00 0.00 H new ATOM 0 HB3 TRP A 74 8.360 -2.103 -6.413 1.00 0.00 H new ATOM 0 HD1 TRP A 74 9.968 -1.084 -9.685 1.00 0.00 H new ATOM 0 HE1 TRP A 74 12.166 0.215 -9.359 1.00 0.00 H new ATOM 0 HE3 TRP A 74 9.925 -0.865 -4.627 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 13.396 1.645 -7.177 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 11.281 0.863 -3.525 1.00 0.00 H new ATOM 0 HH2 TRP A 74 13.050 2.090 -4.742 1.00 0.00 H new ATOM 1137 N ARG A 75 9.581 -4.037 -4.988 1.00 0.00 N ATOM 1138 CA ARG A 75 10.118 -4.466 -3.703 1.00 0.00 C ATOM 1139 C ARG A 75 10.619 -5.898 -3.679 1.00 0.00 C ATOM 1140 O ARG A 75 11.165 -6.309 -2.661 1.00 0.00 O ATOM 1141 CB ARG A 75 9.078 -4.324 -2.568 1.00 0.00 C ATOM 1142 CG ARG A 75 8.576 -2.884 -2.335 1.00 0.00 C ATOM 1143 CD ARG A 75 8.268 -2.445 -0.886 1.00 0.00 C ATOM 1144 NE ARG A 75 8.457 -3.449 0.168 1.00 0.00 N ATOM 1145 CZ ARG A 75 9.228 -3.343 1.257 1.00 0.00 C ATOM 1146 NH1 ARG A 75 10.092 -2.352 1.460 1.00 0.00 N ATOM 1147 NH2 ARG A 75 9.123 -4.287 2.185 1.00 0.00 N ATOM 0 H ARG A 75 8.595 -3.783 -4.927 1.00 0.00 H new ATOM 0 HA ARG A 75 10.967 -3.800 -3.546 1.00 0.00 H new ATOM 0 HB2 ARG A 75 8.223 -4.961 -2.794 1.00 0.00 H new ATOM 0 HB3 ARG A 75 9.517 -4.696 -1.642 1.00 0.00 H new ATOM 0 HG2 ARG A 75 9.324 -2.201 -2.738 1.00 0.00 H new ATOM 0 HG3 ARG A 75 7.669 -2.748 -2.924 1.00 0.00 H new ATOM 0 HD2 ARG A 75 8.896 -1.585 -0.652 1.00 0.00 H new ATOM 0 HD3 ARG A 75 7.233 -2.104 -0.848 1.00 0.00 H new ATOM 0 HE ARG A 75 7.944 -4.324 0.058 1.00 0.00 H new ATOM 0 HH11 ARG A 75 10.195 -1.615 0.763 1.00 0.00 H new ATOM 0 HH12 ARG A 75 10.651 -2.329 2.313 1.00 0.00 H new ATOM 0 HH21 ARG A 75 8.470 -5.060 2.055 1.00 0.00 H new ATOM 0 HH22 ARG A 75 9.695 -4.239 3.028 1.00 0.00 H new ATOM 1161 N ALA A 76 10.480 -6.639 -4.765 1.00 0.00 N ATOM 1162 CA ALA A 76 11.074 -7.959 -4.905 1.00 0.00 C ATOM 1163 C ALA A 76 12.250 -7.996 -5.846 1.00 0.00 C ATOM 1164 O ALA A 76 13.155 -8.807 -5.679 1.00 0.00 O ATOM 1165 CB ALA A 76 10.031 -8.990 -5.283 1.00 0.00 C ATOM 0 H ALA A 76 9.947 -6.340 -5.582 1.00 0.00 H new ATOM 0 HA ALA A 76 11.473 -8.214 -3.923 1.00 0.00 H new ATOM 0 HB1 ALA A 76 10.504 -9.967 -5.381 1.00 0.00 H new ATOM 0 HB2 ALA A 76 9.265 -9.033 -4.509 1.00 0.00 H new ATOM 0 HB3 ALA A 76 9.572 -8.712 -6.232 1.00 0.00 H new ATOM 1171 N ALA A 77 12.269 -7.053 -6.768 1.00 0.00 N ATOM 1172 CA ALA A 77 13.317 -6.945 -7.770 1.00 0.00 C ATOM 1173 C ALA A 77 14.431 -6.049 -7.292 1.00 0.00 C ATOM 1174 O ALA A 77 15.612 -6.306 -7.505 1.00 0.00 O ATOM 1175 CB ALA A 77 12.736 -6.446 -9.097 1.00 0.00 C ATOM 0 H ALA A 77 11.551 -6.332 -6.845 1.00 0.00 H new ATOM 0 HA ALA A 77 13.740 -7.936 -7.934 1.00 0.00 H new ATOM 0 HB1 ALA A 77 13.532 -6.370 -9.837 1.00 0.00 H new ATOM 0 HB2 ALA A 77 11.979 -7.147 -9.449 1.00 0.00 H new ATOM 0 HB3 ALA A 77 12.283 -5.466 -8.950 1.00 0.00 H new ATOM 1181 N ASN A 78 14.029 -5.027 -6.558 1.00 0.00 N ATOM 1182 CA ASN A 78 14.876 -4.307 -5.653 1.00 0.00 C ATOM 1183 C ASN A 78 15.168 -5.139 -4.413 1.00 0.00 C ATOM 1184 O ASN A 78 16.118 -4.895 -3.678 1.00 0.00 O ATOM 1185 CB ASN A 78 14.127 -3.020 -5.324 1.00 0.00 C ATOM 1186 CG ASN A 78 15.017 -1.901 -4.758 1.00 0.00 C ATOM 1187 OD1 ASN A 78 14.800 -0.731 -5.028 1.00 0.00 O ATOM 1188 ND2 ASN A 78 16.002 -2.174 -3.919 1.00 0.00 N ATOM 0 H ASN A 78 13.073 -4.672 -6.584 1.00 0.00 H new ATOM 0 HA ASN A 78 15.849 -4.083 -6.090 1.00 0.00 H new ATOM 0 HB2 ASN A 78 13.636 -2.657 -6.227 1.00 0.00 H new ATOM 0 HB3 ASN A 78 13.341 -3.244 -4.603 1.00 0.00 H new ATOM 0 HD21 ASN A 78 16.555 -1.417 -3.518 1.00 0.00 H new ATOM 0 HD22 ASN A 78 16.209 -3.142 -3.673 1.00 0.00 H new ATOM 1195 N GLY A 79 14.302 -6.114 -4.192 1.00 0.00 N ATOM 1196 CA GLY A 79 14.368 -7.064 -3.090 1.00 0.00 C ATOM 1197 C GLY A 79 14.254 -6.338 -1.756 1.00 0.00 C ATOM 1198 O GLY A 79 14.848 -6.781 -0.780 1.00 0.00 O ATOM 0 H GLY A 79 13.499 -6.273 -4.801 1.00 0.00 H new ATOM 0 HA2 GLY A 79 13.565 -7.795 -3.183 1.00 0.00 H new ATOM 0 HA3 GLY A 79 15.307 -7.615 -3.132 1.00 0.00 H new ATOM 1202 N LYS A 80 13.529 -5.206 -1.755 1.00 0.00 N ATOM 1203 CA LYS A 80 13.560 -4.145 -0.714 1.00 0.00 C ATOM 1204 C LYS A 80 13.841 -4.654 0.691 1.00 0.00 C ATOM 1205 O LYS A 80 14.785 -4.256 1.363 1.00 0.00 O ATOM 1206 CB LYS A 80 12.365 -3.215 -0.686 1.00 0.00 C ATOM 1207 CG LYS A 80 12.214 -2.620 -2.055 1.00 0.00 C ATOM 1208 CD LYS A 80 12.816 -1.367 -2.446 1.00 0.00 C ATOM 1209 CE LYS A 80 12.215 -0.204 -1.746 1.00 0.00 C ATOM 1210 NZ LYS A 80 13.066 1.005 -1.810 1.00 0.00 N ATOM 0 H LYS A 80 12.876 -4.989 -2.508 1.00 0.00 H new ATOM 0 HA LYS A 80 14.413 -3.552 -1.045 1.00 0.00 H new ATOM 0 HB2 LYS A 80 11.464 -3.760 -0.405 1.00 0.00 H new ATOM 0 HB3 LYS A 80 12.509 -2.431 0.057 1.00 0.00 H new ATOM 0 HG2 LYS A 80 12.578 -3.369 -2.758 1.00 0.00 H new ATOM 0 HG3 LYS A 80 11.143 -2.514 -2.228 1.00 0.00 H new ATOM 0 HD2 LYS A 80 13.885 -1.400 -2.236 1.00 0.00 H new ATOM 0 HD3 LYS A 80 12.706 -1.235 -3.522 1.00 0.00 H new ATOM 0 HE2 LYS A 80 11.243 0.017 -2.187 1.00 0.00 H new ATOM 0 HE3 LYS A 80 12.040 -0.465 -0.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 13.318 1.303 -0.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 13.932 0.792 -2.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 12.546 1.771 -2.285 1.00 0.00 H new ATOM 1224 N SER A 81 12.958 -5.556 1.082 1.00 0.00 N ATOM 1225 CA SER A 81 12.635 -6.070 2.380 1.00 0.00 C ATOM 1226 C SER A 81 12.041 -5.014 3.274 1.00 0.00 C ATOM 1227 O SER A 81 11.926 -3.831 2.964 1.00 0.00 O ATOM 1228 CB SER A 81 13.743 -6.913 3.010 1.00 0.00 C ATOM 1229 OG SER A 81 15.041 -6.355 2.994 1.00 0.00 O ATOM 0 H SER A 81 12.369 -6.004 0.380 1.00 0.00 H new ATOM 0 HA SER A 81 11.838 -6.799 2.236 1.00 0.00 H new ATOM 0 HB2 SER A 81 13.471 -7.116 4.046 1.00 0.00 H new ATOM 0 HB3 SER A 81 13.777 -7.873 2.495 1.00 0.00 H new ATOM 0 HG SER A 81 14.991 -5.419 2.709 1.00 0.00 H new ATOM 1235 N GLY A 82 11.477 -5.542 4.337 1.00 0.00 N ATOM 1236 CA GLY A 82 10.754 -4.758 5.314 1.00 0.00 C ATOM 1237 C GLY A 82 9.907 -5.594 6.228 1.00 0.00 C ATOM 1238 O GLY A 82 10.149 -5.615 7.430 1.00 0.00 O ATOM 0 H GLY A 82 11.508 -6.539 4.550 1.00 0.00 H new ATOM 0 HA2 GLY A 82 11.465 -4.185 5.910 1.00 0.00 H new ATOM 0 HA3 GLY A 82 10.119 -4.039 4.796 1.00 0.00 H new ATOM 1242 N PHE A 83 8.890 -6.210 5.639 1.00 0.00 N ATOM 1243 CA PHE A 83 7.776 -6.645 6.410 1.00 0.00 C ATOM 1244 C PHE A 83 8.121 -7.767 7.371 1.00 0.00 C ATOM 1245 O PHE A 83 9.169 -8.405 7.450 1.00 0.00 O ATOM 1246 CB PHE A 83 6.504 -7.054 5.629 1.00 0.00 C ATOM 1247 CG PHE A 83 6.014 -6.332 4.431 1.00 0.00 C ATOM 1248 CD1 PHE A 83 5.235 -5.173 4.559 1.00 0.00 C ATOM 1249 CD2 PHE A 83 5.971 -7.062 3.247 1.00 0.00 C ATOM 1250 CE1 PHE A 83 4.542 -4.697 3.445 1.00 0.00 C ATOM 1251 CE2 PHE A 83 5.296 -6.578 2.135 1.00 0.00 C ATOM 1252 CZ PHE A 83 4.573 -5.374 2.199 1.00 0.00 C ATOM 0 H PHE A 83 8.830 -6.409 4.640 1.00 0.00 H new ATOM 0 HA PHE A 83 7.529 -5.731 6.951 1.00 0.00 H new ATOM 0 HB2 PHE A 83 6.650 -8.090 5.325 1.00 0.00 H new ATOM 0 HB3 PHE A 83 5.686 -7.046 6.349 1.00 0.00 H new ATOM 0 HD1 PHE A 83 5.172 -4.657 5.505 1.00 0.00 H new ATOM 0 HD2 PHE A 83 6.470 -8.018 3.193 1.00 0.00 H new ATOM 0 HE1 PHE A 83 3.966 -3.788 3.534 1.00 0.00 H new ATOM 0 HE2 PHE A 83 5.327 -7.133 1.209 1.00 0.00 H new ATOM 0 HZ PHE A 83 4.061 -4.980 1.333 1.00 0.00 H new ATOM 1262 N LYS A 84 7.018 -7.950 8.032 1.00 0.00 N ATOM 1263 CA LYS A 84 6.633 -8.497 9.253 1.00 0.00 C ATOM 1264 C LYS A 84 5.680 -9.657 9.108 1.00 0.00 C ATOM 1265 O LYS A 84 5.401 -10.178 8.032 1.00 0.00 O ATOM 1266 CB LYS A 84 6.215 -7.295 10.043 1.00 0.00 C ATOM 1267 CG LYS A 84 6.711 -7.431 11.486 1.00 0.00 C ATOM 1268 CD LYS A 84 6.262 -6.175 12.162 1.00 0.00 C ATOM 1269 CE LYS A 84 6.770 -6.110 13.589 1.00 0.00 C ATOM 1270 NZ LYS A 84 5.929 -5.243 14.437 1.00 0.00 N ATOM 0 H LYS A 84 6.168 -7.620 7.575 1.00 0.00 H new ATOM 0 HA LYS A 84 7.415 -9.022 9.802 1.00 0.00 H new ATOM 0 HB2 LYS A 84 6.623 -6.391 9.591 1.00 0.00 H new ATOM 0 HB3 LYS A 84 5.129 -7.197 10.029 1.00 0.00 H new ATOM 0 HG2 LYS A 84 6.289 -8.313 11.968 1.00 0.00 H new ATOM 0 HG3 LYS A 84 7.795 -7.535 11.524 1.00 0.00 H new ATOM 0 HD2 LYS A 84 6.622 -5.310 11.605 1.00 0.00 H new ATOM 0 HD3 LYS A 84 5.173 -6.126 12.158 1.00 0.00 H new ATOM 0 HE2 LYS A 84 6.795 -7.115 14.011 1.00 0.00 H new ATOM 0 HE3 LYS A 84 7.794 -5.737 13.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 6.450 -4.993 15.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 5.688 -4.376 13.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 5.056 -5.748 14.692 1.00 0.00 H new ATOM 1284 N GLN A 85 5.196 -10.012 10.271 1.00 0.00 N ATOM 1285 CA GLN A 85 4.321 -11.124 10.606 1.00 0.00 C ATOM 1286 C GLN A 85 3.271 -10.709 11.612 1.00 0.00 C ATOM 1287 O GLN A 85 2.092 -11.003 11.435 1.00 0.00 O ATOM 1288 CB GLN A 85 5.061 -12.347 10.997 1.00 0.00 C ATOM 1289 CG GLN A 85 4.851 -13.605 10.153 1.00 0.00 C ATOM 1290 CD GLN A 85 3.586 -14.416 10.472 1.00 0.00 C ATOM 1291 OE1 GLN A 85 3.635 -15.638 10.506 1.00 0.00 O ATOM 1292 NE2 GLN A 85 2.434 -13.807 10.714 1.00 0.00 N ATOM 0 H GLN A 85 5.428 -9.472 11.105 1.00 0.00 H new ATOM 0 HA GLN A 85 3.791 -11.403 9.695 1.00 0.00 H new ATOM 0 HB2 GLN A 85 6.125 -12.112 10.989 1.00 0.00 H new ATOM 0 HB3 GLN A 85 4.795 -12.586 12.027 1.00 0.00 H new ATOM 0 HG2 GLN A 85 4.819 -13.315 9.103 1.00 0.00 H new ATOM 0 HG3 GLN A 85 5.718 -14.254 10.279 1.00 0.00 H new ATOM 0 HE21 GLN A 85 2.380 -12.789 10.689 1.00 0.00 H new ATOM 0 HE22 GLN A 85 1.601 -14.357 10.926 1.00 0.00 H new ATOM 1301 N GLY A 86 3.756 -10.015 12.626 1.00 0.00 N ATOM 1302 CA GLY A 86 3.065 -9.124 13.533 1.00 0.00 C ATOM 1303 C GLY A 86 4.138 -8.251 14.168 1.00 0.00 C ATOM 1304 O GLY A 86 5.285 -8.746 14.253 1.00 0.00 O ATOM 1305 OXT GLY A 86 3.868 -7.068 14.461 1.00 0.00 O ATOM 0 H GLY A 86 4.748 -10.070 12.856 1.00 0.00 H new ATOM 0 HA2 GLY A 86 2.333 -8.516 13.000 1.00 0.00 H new ATOM 0 HA3 GLY A 86 2.521 -9.686 14.292 1.00 0.00 H new TER 1309 GLY A 86