USER MOD reduce.3.24.130724 H: found=0, std=0, add=672, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 673 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 52 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ -142:sc= 0.895 (180deg=-0.484) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.237 USER MOD Single : A 14 THR OG1 : rot 82:sc= -4.81! USER MOD Single : A 15 ASN : amide:sc= -8.15! C(o=-8.2!,f=-22!) USER MOD Single : A 19 GLN : amide:sc= -0.121 X(o=-0.12,f=-0.0017) USER MOD Single : A 20 SER OG : rot 27:sc= 0.449 USER MOD Single : A 21 MET CE :methyl 135:sc= -1.33 (180deg=-1.96!) USER MOD Single : A 23 THR OG1 : rot 21:sc= -1.1 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot -120:sc= -2.22 USER MOD Single : A 29 THR OG1 : rot 170:sc= 0.723 USER MOD Single : A 34 GLN : amide:sc= -2.73 X(o=-2.7,f=-3!) USER MOD Single : A 36 SER OG : rot 68:sc= 0.00149 USER MOD Single : A 42 ASN : amide:sc= -0.299 X(o=-0.3,f=-0.0037) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -7.21! C(o=-7.2!,f=-16!) USER MOD Single : A 49 CYS SG : rot 180:sc= -1.41 USER MOD Single : A 60 MET CE :methyl -159:sc= 0 (180deg=-0.0113) USER MOD Single : A 63 GLN : amide:sc= -0.229 X(o=-0.23,f=0) USER MOD Single : A 66 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 GLN : amide:sc= -0.423 X(o=-0.42,f=-0.88) USER MOD Single : A 75 HIS : no HD1:sc= -2.18 K(o=-2.2,f=-2.9) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 6 10.645 14.030 -6.683 1.00 0.00 N ATOM 2 CA LYS A 6 11.308 12.927 -5.992 1.00 0.00 C ATOM 3 C LYS A 6 10.300 11.881 -5.519 1.00 0.00 C ATOM 4 O LYS A 6 9.089 12.073 -5.632 1.00 0.00 O ATOM 5 CB LYS A 6 12.112 13.456 -4.802 1.00 0.00 C ATOM 6 CG LYS A 6 13.586 13.090 -4.854 1.00 0.00 C ATOM 7 CD LYS A 6 14.353 14.001 -5.800 1.00 0.00 C ATOM 8 CE LYS A 6 15.513 13.271 -6.458 1.00 0.00 C ATOM 9 NZ LYS A 6 16.804 13.544 -5.768 1.00 0.00 N ATOM 0 HA LYS A 6 11.985 12.448 -6.699 1.00 0.00 H new ATOM 0 HB2 LYS A 6 12.017 14.541 -4.763 1.00 0.00 H new ATOM 0 HB3 LYS A 6 11.681 13.065 -3.880 1.00 0.00 H new ATOM 0 HG2 LYS A 6 14.014 13.158 -3.854 1.00 0.00 H new ATOM 0 HG3 LYS A 6 13.694 12.055 -5.177 1.00 0.00 H new ATOM 0 HD2 LYS A 6 13.679 14.381 -6.567 1.00 0.00 H new ATOM 0 HD3 LYS A 6 14.729 14.864 -5.251 1.00 0.00 H new ATOM 0 HE2 LYS A 6 15.318 12.199 -6.452 1.00 0.00 H new ATOM 0 HE3 LYS A 6 15.588 13.575 -7.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 17.570 13.028 -6.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 17.004 14.564 -5.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 16.742 13.231 -4.778 1.00 0.00 H new ATOM 23 N GLU A 7 10.810 10.774 -4.990 1.00 0.00 N ATOM 24 CA GLU A 7 9.964 9.701 -4.498 1.00 0.00 C ATOM 25 C GLU A 7 9.976 9.660 -2.976 1.00 0.00 C ATOM 26 O GLU A 7 10.962 10.033 -2.341 1.00 0.00 O ATOM 27 CB GLU A 7 10.440 8.357 -5.054 1.00 0.00 C ATOM 28 CG GLU A 7 9.768 7.965 -6.358 1.00 0.00 C ATOM 29 CD GLU A 7 10.685 8.117 -7.555 1.00 0.00 C ATOM 30 OE1 GLU A 7 10.699 9.211 -8.158 1.00 0.00 O ATOM 31 OE2 GLU A 7 11.389 7.141 -7.891 1.00 0.00 O ATOM 0 H GLU A 7 11.810 10.599 -4.892 1.00 0.00 H new ATOM 0 HA GLU A 7 8.944 9.889 -4.834 1.00 0.00 H new ATOM 0 HB2 GLU A 7 11.518 8.399 -5.209 1.00 0.00 H new ATOM 0 HB3 GLU A 7 10.255 7.580 -4.312 1.00 0.00 H new ATOM 0 HG2 GLU A 7 9.431 6.930 -6.292 1.00 0.00 H new ATOM 0 HG3 GLU A 7 8.880 8.581 -6.504 1.00 0.00 H new ATOM 38 N LYS A 8 8.879 9.193 -2.397 1.00 0.00 N ATOM 39 CA LYS A 8 8.766 9.089 -0.953 1.00 0.00 C ATOM 40 C LYS A 8 9.081 7.668 -0.506 1.00 0.00 C ATOM 41 O LYS A 8 8.842 6.711 -1.242 1.00 0.00 O ATOM 42 CB LYS A 8 7.360 9.492 -0.493 1.00 0.00 C ATOM 43 CG LYS A 8 6.287 8.453 -0.787 1.00 0.00 C ATOM 44 CD LYS A 8 5.176 9.023 -1.652 1.00 0.00 C ATOM 45 CE LYS A 8 3.822 8.461 -1.255 1.00 0.00 C ATOM 46 NZ LYS A 8 2.704 9.345 -1.685 1.00 0.00 N ATOM 0 H LYS A 8 8.054 8.880 -2.908 1.00 0.00 H new ATOM 0 HA LYS A 8 9.485 9.770 -0.497 1.00 0.00 H new ATOM 0 HB2 LYS A 8 7.381 9.683 0.580 1.00 0.00 H new ATOM 0 HB3 LYS A 8 7.086 10.429 -0.978 1.00 0.00 H new ATOM 0 HG2 LYS A 8 6.737 7.597 -1.290 1.00 0.00 H new ATOM 0 HG3 LYS A 8 5.868 8.088 0.150 1.00 0.00 H new ATOM 0 HD2 LYS A 8 5.162 10.109 -1.560 1.00 0.00 H new ATOM 0 HD3 LYS A 8 5.374 8.794 -2.699 1.00 0.00 H new ATOM 0 HE2 LYS A 8 3.695 7.474 -1.699 1.00 0.00 H new ATOM 0 HE3 LYS A 8 3.786 8.331 -0.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 1.966 9.353 -0.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 3.061 10.311 -1.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 2.303 8.989 -2.576 1.00 0.00 H new ATOM 60 N LYS A 9 9.621 7.534 0.696 1.00 0.00 N ATOM 61 CA LYS A 9 9.969 6.223 1.223 1.00 0.00 C ATOM 62 C LYS A 9 9.013 5.816 2.334 1.00 0.00 C ATOM 63 O LYS A 9 8.734 6.593 3.247 1.00 0.00 O ATOM 64 CB LYS A 9 11.411 6.213 1.737 1.00 0.00 C ATOM 65 CG LYS A 9 11.805 4.912 2.420 1.00 0.00 C ATOM 66 CD LYS A 9 11.929 5.085 3.926 1.00 0.00 C ATOM 67 CE LYS A 9 13.379 5.254 4.349 1.00 0.00 C ATOM 68 NZ LYS A 9 13.511 5.423 5.823 1.00 0.00 N ATOM 0 H LYS A 9 9.827 8.312 1.322 1.00 0.00 H new ATOM 0 HA LYS A 9 9.883 5.500 0.411 1.00 0.00 H new ATOM 0 HB2 LYS A 9 12.087 6.394 0.901 1.00 0.00 H new ATOM 0 HB3 LYS A 9 11.544 7.037 2.439 1.00 0.00 H new ATOM 0 HG2 LYS A 9 11.061 4.146 2.201 1.00 0.00 H new ATOM 0 HG3 LYS A 9 12.754 4.560 2.014 1.00 0.00 H new ATOM 0 HD2 LYS A 9 11.353 5.955 4.242 1.00 0.00 H new ATOM 0 HD3 LYS A 9 11.500 4.218 4.429 1.00 0.00 H new ATOM 0 HE2 LYS A 9 13.954 4.385 4.030 1.00 0.00 H new ATOM 0 HE3 LYS A 9 13.806 6.121 3.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 14.515 5.535 6.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 12.983 6.267 6.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 13.127 4.585 6.304 1.00 0.00 H new ATOM 82 N ILE A 10 8.514 4.592 2.245 1.00 0.00 N ATOM 83 CA ILE A 10 7.587 4.074 3.236 1.00 0.00 C ATOM 84 C ILE A 10 7.925 2.630 3.585 1.00 0.00 C ATOM 85 O ILE A 10 8.653 1.961 2.851 1.00 0.00 O ATOM 86 CB ILE A 10 6.125 4.152 2.741 1.00 0.00 C ATOM 87 CG1 ILE A 10 6.027 5.005 1.468 1.00 0.00 C ATOM 88 CG2 ILE A 10 5.236 4.716 3.839 1.00 0.00 C ATOM 89 CD1 ILE A 10 4.607 5.298 1.030 1.00 0.00 C ATOM 0 H ILE A 10 8.737 3.939 1.494 1.00 0.00 H new ATOM 0 HA ILE A 10 7.686 4.696 4.126 1.00 0.00 H new ATOM 0 HB ILE A 10 5.783 3.146 2.496 1.00 0.00 H new ATOM 0 HG12 ILE A 10 6.547 5.948 1.634 1.00 0.00 H new ATOM 0 HG13 ILE A 10 6.547 4.493 0.659 1.00 0.00 H new ATOM 0 HG21 ILE A 10 4.207 4.768 3.483 1.00 0.00 H new ATOM 0 HG22 ILE A 10 5.285 4.069 4.715 1.00 0.00 H new ATOM 0 HG23 ILE A 10 5.578 5.716 4.107 1.00 0.00 H new ATOM 0 HD11 ILE A 10 4.623 5.905 0.125 1.00 0.00 H new ATOM 0 HD12 ILE A 10 4.087 4.361 0.830 1.00 0.00 H new ATOM 0 HD13 ILE A 10 4.087 5.839 1.820 1.00 0.00 H new ATOM 101 N ARG A 11 7.394 2.149 4.704 1.00 0.00 N ATOM 102 CA ARG A 11 7.649 0.780 5.131 1.00 0.00 C ATOM 103 C ARG A 11 6.471 -0.114 4.784 1.00 0.00 C ATOM 104 O ARG A 11 5.353 0.361 4.582 1.00 0.00 O ATOM 105 CB ARG A 11 7.923 0.719 6.636 1.00 0.00 C ATOM 106 CG ARG A 11 8.174 -0.694 7.146 1.00 0.00 C ATOM 107 CD ARG A 11 8.547 -0.703 8.620 1.00 0.00 C ATOM 108 NE ARG A 11 9.780 0.035 8.881 1.00 0.00 N ATOM 109 CZ ARG A 11 10.510 -0.106 9.985 1.00 0.00 C ATOM 110 NH1 ARG A 11 10.132 -0.953 10.935 1.00 0.00 N ATOM 111 NH2 ARG A 11 11.619 0.603 10.141 1.00 0.00 N ATOM 0 H ARG A 11 6.789 2.683 5.327 1.00 0.00 H new ATOM 0 HA ARG A 11 8.533 0.423 4.602 1.00 0.00 H new ATOM 0 HB2 ARG A 11 8.789 1.340 6.866 1.00 0.00 H new ATOM 0 HB3 ARG A 11 7.074 1.145 7.170 1.00 0.00 H new ATOM 0 HG2 ARG A 11 7.281 -1.300 6.993 1.00 0.00 H new ATOM 0 HG3 ARG A 11 8.974 -1.153 6.566 1.00 0.00 H new ATOM 0 HD2 ARG A 11 7.735 -0.267 9.201 1.00 0.00 H new ATOM 0 HD3 ARG A 11 8.664 -1.733 8.957 1.00 0.00 H new ATOM 0 HE ARG A 11 10.101 0.698 8.175 1.00 0.00 H new ATOM 0 HH11 ARG A 11 9.278 -1.500 10.821 1.00 0.00 H new ATOM 0 HH12 ARG A 11 10.695 -1.057 11.779 1.00 0.00 H new ATOM 0 HH21 ARG A 11 11.913 1.257 9.415 1.00 0.00 H new ATOM 0 HH22 ARG A 11 12.179 0.495 10.987 1.00 0.00 H new ATOM 125 N ILE A 12 6.726 -1.413 4.722 1.00 0.00 N ATOM 126 CA ILE A 12 5.687 -2.375 4.407 1.00 0.00 C ATOM 127 C ILE A 12 5.820 -3.611 5.281 1.00 0.00 C ATOM 128 O ILE A 12 6.919 -3.970 5.696 1.00 0.00 O ATOM 129 CB ILE A 12 5.732 -2.818 2.930 1.00 0.00 C ATOM 130 CG1 ILE A 12 5.719 -1.609 1.987 1.00 0.00 C ATOM 131 CG2 ILE A 12 4.558 -3.739 2.640 1.00 0.00 C ATOM 132 CD1 ILE A 12 6.367 -1.880 0.641 1.00 0.00 C ATOM 0 H ILE A 12 7.646 -1.823 4.886 1.00 0.00 H new ATOM 0 HA ILE A 12 4.736 -1.876 4.595 1.00 0.00 H new ATOM 0 HB ILE A 12 6.663 -3.358 2.756 1.00 0.00 H new ATOM 0 HG12 ILE A 12 4.688 -1.295 1.827 1.00 0.00 H new ATOM 0 HG13 ILE A 12 6.235 -0.778 2.468 1.00 0.00 H new ATOM 0 HG21 ILE A 12 4.590 -4.052 1.596 1.00 0.00 H new ATOM 0 HG22 ILE A 12 4.616 -4.617 3.284 1.00 0.00 H new ATOM 0 HG23 ILE A 12 3.624 -3.210 2.832 1.00 0.00 H new ATOM 0 HD11 ILE A 12 6.321 -0.980 0.027 1.00 0.00 H new ATOM 0 HD12 ILE A 12 7.409 -2.165 0.789 1.00 0.00 H new ATOM 0 HD13 ILE A 12 5.837 -2.689 0.139 1.00 0.00 H new ATOM 144 N THR A 13 4.696 -4.259 5.549 1.00 0.00 N ATOM 145 CA THR A 13 4.684 -5.467 6.364 1.00 0.00 C ATOM 146 C THR A 13 3.519 -6.366 5.975 1.00 0.00 C ATOM 147 O THR A 13 2.368 -5.938 5.998 1.00 0.00 O ATOM 148 CB THR A 13 4.601 -5.110 7.842 1.00 0.00 C ATOM 149 OG1 THR A 13 5.241 -3.872 8.099 1.00 0.00 O ATOM 150 CG2 THR A 13 5.238 -6.150 8.723 1.00 0.00 C ATOM 0 H THR A 13 3.778 -3.968 5.213 1.00 0.00 H new ATOM 0 HA THR A 13 5.613 -6.008 6.186 1.00 0.00 H new ATOM 0 HB THR A 13 3.538 -5.050 8.075 1.00 0.00 H new ATOM 0 HG1 THR A 13 5.174 -3.661 9.054 1.00 0.00 H new ATOM 0 HG21 THR A 13 5.151 -5.846 9.766 1.00 0.00 H new ATOM 0 HG22 THR A 13 4.734 -7.106 8.580 1.00 0.00 H new ATOM 0 HG23 THR A 13 6.291 -6.253 8.462 1.00 0.00 H new ATOM 158 N THR A 14 3.815 -7.607 5.598 1.00 0.00 N ATOM 159 CA THR A 14 2.775 -8.529 5.183 1.00 0.00 C ATOM 160 C THR A 14 2.367 -9.468 6.308 1.00 0.00 C ATOM 161 O THR A 14 3.194 -9.882 7.126 1.00 0.00 O ATOM 162 CB THR A 14 3.259 -9.328 3.988 1.00 0.00 C ATOM 163 OG1 THR A 14 4.051 -10.420 4.419 1.00 0.00 O ATOM 164 CG2 THR A 14 4.088 -8.501 3.025 1.00 0.00 C ATOM 0 H THR A 14 4.760 -7.990 5.573 1.00 0.00 H new ATOM 0 HA THR A 14 1.895 -7.946 4.910 1.00 0.00 H new ATOM 0 HB THR A 14 2.364 -9.670 3.468 1.00 0.00 H new ATOM 0 HG1 THR A 14 3.468 -11.160 4.690 1.00 0.00 H new ATOM 0 HG21 THR A 14 4.406 -9.125 2.190 1.00 0.00 H new ATOM 0 HG22 THR A 14 3.489 -7.671 2.650 1.00 0.00 H new ATOM 0 HG23 THR A 14 4.965 -8.111 3.542 1.00 0.00 H new ATOM 172 N ASN A 15 1.078 -9.799 6.327 1.00 0.00 N ATOM 173 CA ASN A 15 0.507 -10.689 7.331 1.00 0.00 C ATOM 174 C ASN A 15 1.339 -11.954 7.508 1.00 0.00 C ATOM 175 O ASN A 15 1.454 -12.471 8.619 1.00 0.00 O ATOM 176 CB ASN A 15 -0.932 -11.061 6.958 1.00 0.00 C ATOM 177 CG ASN A 15 -1.087 -11.404 5.488 1.00 0.00 C ATOM 178 OD1 ASN A 15 -0.236 -11.063 4.667 1.00 0.00 O ATOM 179 ND2 ASN A 15 -2.179 -12.079 5.148 1.00 0.00 N ATOM 0 H ASN A 15 0.401 -9.457 5.646 1.00 0.00 H new ATOM 0 HA ASN A 15 0.509 -10.152 8.279 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -1.251 -11.911 7.561 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -1.593 -10.230 7.204 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -2.338 -12.335 4.173 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -2.859 -12.342 5.861 1.00 0.00 H new ATOM 186 N ASP A 16 1.925 -12.453 6.421 1.00 0.00 N ATOM 187 CA ASP A 16 2.743 -13.658 6.511 1.00 0.00 C ATOM 188 C ASP A 16 3.898 -13.448 7.485 1.00 0.00 C ATOM 189 O ASP A 16 4.454 -14.406 8.022 1.00 0.00 O ATOM 190 CB ASP A 16 3.284 -14.044 5.138 1.00 0.00 C ATOM 191 CG ASP A 16 3.597 -15.524 5.034 1.00 0.00 C ATOM 192 OD1 ASP A 16 2.813 -16.335 5.569 1.00 0.00 O ATOM 193 OD2 ASP A 16 4.627 -15.872 4.418 1.00 0.00 O ATOM 0 H ASP A 16 1.851 -12.051 5.487 1.00 0.00 H new ATOM 0 HA ASP A 16 2.114 -14.468 6.880 1.00 0.00 H new ATOM 0 HB2 ASP A 16 2.554 -13.776 4.374 1.00 0.00 H new ATOM 0 HB3 ASP A 16 4.187 -13.469 4.932 1.00 0.00 H new ATOM 198 N GLY A 17 4.249 -12.184 7.710 1.00 0.00 N ATOM 199 CA GLY A 17 5.329 -11.865 8.620 1.00 0.00 C ATOM 200 C GLY A 17 6.507 -11.221 7.919 1.00 0.00 C ATOM 201 O GLY A 17 7.644 -11.339 8.376 1.00 0.00 O ATOM 0 H GLY A 17 3.802 -11.376 7.276 1.00 0.00 H new ATOM 0 HA2 GLY A 17 4.960 -11.193 9.395 1.00 0.00 H new ATOM 0 HA3 GLY A 17 5.661 -12.776 9.119 1.00 0.00 H new ATOM 205 N ARG A 18 6.243 -10.537 6.806 1.00 0.00 N ATOM 206 CA ARG A 18 7.311 -9.882 6.060 1.00 0.00 C ATOM 207 C ARG A 18 7.291 -8.383 6.280 1.00 0.00 C ATOM 208 O ARG A 18 6.377 -7.845 6.900 1.00 0.00 O ATOM 209 CB ARG A 18 7.183 -10.161 4.565 1.00 0.00 C ATOM 210 CG ARG A 18 6.752 -11.574 4.247 1.00 0.00 C ATOM 211 CD ARG A 18 6.735 -11.823 2.752 1.00 0.00 C ATOM 212 NE ARG A 18 5.628 -11.124 2.115 1.00 0.00 N ATOM 213 CZ ARG A 18 4.370 -11.535 2.169 1.00 0.00 C ATOM 214 NH1 ARG A 18 4.064 -12.656 2.794 1.00 0.00 N ATOM 215 NH2 ARG A 18 3.414 -10.816 1.608 1.00 0.00 N ATOM 0 H ARG A 18 5.311 -10.424 6.407 1.00 0.00 H new ATOM 0 HA ARG A 18 8.254 -10.288 6.427 1.00 0.00 H new ATOM 0 HB2 ARG A 18 6.463 -9.465 4.135 1.00 0.00 H new ATOM 0 HB3 ARG A 18 8.142 -9.966 4.084 1.00 0.00 H new ATOM 0 HG2 ARG A 18 7.430 -12.280 4.727 1.00 0.00 H new ATOM 0 HG3 ARG A 18 5.759 -11.755 4.659 1.00 0.00 H new ATOM 0 HD2 ARG A 18 7.677 -11.492 2.315 1.00 0.00 H new ATOM 0 HD3 ARG A 18 6.652 -12.893 2.560 1.00 0.00 H new ATOM 0 HE ARG A 18 5.833 -10.269 1.598 1.00 0.00 H new ATOM 0 HH11 ARG A 18 4.797 -13.209 3.238 1.00 0.00 H new ATOM 0 HH12 ARG A 18 3.094 -12.969 2.834 1.00 0.00 H new ATOM 0 HH21 ARG A 18 3.644 -9.943 1.133 1.00 0.00 H new ATOM 0 HH22 ARG A 18 2.446 -11.134 1.650 1.00 0.00 H new ATOM 229 N GLN A 19 8.298 -7.713 5.740 1.00 0.00 N ATOM 230 CA GLN A 19 8.395 -6.270 5.843 1.00 0.00 C ATOM 231 C GLN A 19 9.513 -5.741 4.960 1.00 0.00 C ATOM 232 O GLN A 19 10.635 -6.246 4.985 1.00 0.00 O ATOM 233 CB GLN A 19 8.612 -5.810 7.290 1.00 0.00 C ATOM 234 CG GLN A 19 9.335 -6.814 8.172 1.00 0.00 C ATOM 235 CD GLN A 19 10.842 -6.730 8.034 1.00 0.00 C ATOM 236 OE1 GLN A 19 11.496 -7.687 7.620 1.00 0.00 O ATOM 237 NE2 GLN A 19 11.401 -5.577 8.384 1.00 0.00 N ATOM 0 H GLN A 19 9.061 -8.151 5.224 1.00 0.00 H new ATOM 0 HA GLN A 19 7.444 -5.862 5.501 1.00 0.00 H new ATOM 0 HB2 GLN A 19 9.180 -4.880 7.280 1.00 0.00 H new ATOM 0 HB3 GLN A 19 7.643 -5.587 7.736 1.00 0.00 H new ATOM 0 HG2 GLN A 19 9.059 -6.643 9.213 1.00 0.00 H new ATOM 0 HG3 GLN A 19 9.006 -7.821 7.916 1.00 0.00 H new ATOM 0 HE21 GLN A 19 10.820 -4.810 8.722 1.00 0.00 H new ATOM 0 HE22 GLN A 19 12.412 -5.458 8.315 1.00 0.00 H new ATOM 246 N SER A 20 9.195 -4.721 4.178 1.00 0.00 N ATOM 247 CA SER A 20 10.167 -4.118 3.280 1.00 0.00 C ATOM 248 C SER A 20 9.816 -2.664 2.995 1.00 0.00 C ATOM 249 O SER A 20 8.654 -2.267 3.070 1.00 0.00 O ATOM 250 CB SER A 20 10.240 -4.903 1.969 1.00 0.00 C ATOM 251 OG SER A 20 11.114 -6.012 2.086 1.00 0.00 O ATOM 0 H SER A 20 8.270 -4.293 4.147 1.00 0.00 H new ATOM 0 HA SER A 20 11.141 -4.149 3.768 1.00 0.00 H new ATOM 0 HB2 SER A 20 9.244 -5.249 1.693 1.00 0.00 H new ATOM 0 HB3 SER A 20 10.584 -4.248 1.168 1.00 0.00 H new ATOM 0 HG SER A 20 11.155 -6.299 3.022 1.00 0.00 H new ATOM 257 N MET A 21 10.831 -1.875 2.666 1.00 0.00 N ATOM 258 CA MET A 21 10.635 -0.464 2.368 1.00 0.00 C ATOM 259 C MET A 21 10.563 -0.234 0.868 1.00 0.00 C ATOM 260 O MET A 21 11.030 -1.053 0.076 1.00 0.00 O ATOM 261 CB MET A 21 11.756 0.380 2.991 1.00 0.00 C ATOM 262 CG MET A 21 13.080 0.323 2.237 1.00 0.00 C ATOM 263 SD MET A 21 14.090 -1.098 2.701 1.00 0.00 S ATOM 264 CE MET A 21 13.812 -2.179 1.300 1.00 0.00 C ATOM 0 H MET A 21 11.799 -2.190 2.599 1.00 0.00 H new ATOM 0 HA MET A 21 9.686 -0.153 2.805 1.00 0.00 H new ATOM 0 HB2 MET A 21 11.426 1.418 3.044 1.00 0.00 H new ATOM 0 HB3 MET A 21 11.920 0.045 4.015 1.00 0.00 H new ATOM 0 HG2 MET A 21 12.881 0.287 1.166 1.00 0.00 H new ATOM 0 HG3 MET A 21 13.640 1.238 2.427 1.00 0.00 H new ATOM 0 HE1 MET A 21 14.762 -2.603 0.974 1.00 0.00 H new ATOM 0 HE2 MET A 21 13.136 -2.983 1.590 1.00 0.00 H new ATOM 0 HE3 MET A 21 13.369 -1.609 0.483 1.00 0.00 H new ATOM 274 N VAL A 22 9.971 0.885 0.489 1.00 0.00 N ATOM 275 CA VAL A 22 9.826 1.233 -0.912 1.00 0.00 C ATOM 276 C VAL A 22 9.992 2.729 -1.117 1.00 0.00 C ATOM 277 O VAL A 22 10.080 3.491 -0.155 1.00 0.00 O ATOM 278 CB VAL A 22 8.454 0.805 -1.455 1.00 0.00 C ATOM 279 CG1 VAL A 22 8.419 -0.695 -1.707 1.00 0.00 C ATOM 280 CG2 VAL A 22 7.349 1.219 -0.499 1.00 0.00 C ATOM 0 H VAL A 22 9.581 1.571 1.136 1.00 0.00 H new ATOM 0 HA VAL A 22 10.606 0.701 -1.456 1.00 0.00 H new ATOM 0 HB VAL A 22 8.288 1.311 -2.406 1.00 0.00 H new ATOM 0 HG11 VAL A 22 7.439 -0.977 -2.091 1.00 0.00 H new ATOM 0 HG12 VAL A 22 9.184 -0.959 -2.437 1.00 0.00 H new ATOM 0 HG13 VAL A 22 8.609 -1.225 -0.774 1.00 0.00 H new ATOM 0 HG21 VAL A 22 6.385 0.907 -0.901 1.00 0.00 H new ATOM 0 HG22 VAL A 22 7.509 0.745 0.469 1.00 0.00 H new ATOM 0 HG23 VAL A 22 7.359 2.302 -0.379 1.00 0.00 H new ATOM 290 N THR A 23 10.036 3.141 -2.374 1.00 0.00 N ATOM 291 CA THR A 23 10.191 4.553 -2.713 1.00 0.00 C ATOM 292 C THR A 23 8.950 5.075 -3.431 1.00 0.00 C ATOM 293 O THR A 23 9.047 5.717 -4.477 1.00 0.00 O ATOM 294 CB THR A 23 11.426 4.755 -3.588 1.00 0.00 C ATOM 295 OG1 THR A 23 11.786 6.124 -3.640 1.00 0.00 O ATOM 296 CG2 THR A 23 11.228 4.277 -5.008 1.00 0.00 C ATOM 0 H THR A 23 9.967 2.519 -3.180 1.00 0.00 H new ATOM 0 HA THR A 23 10.317 5.115 -1.787 1.00 0.00 H new ATOM 0 HB THR A 23 12.213 4.160 -3.125 1.00 0.00 H new ATOM 0 HG1 THR A 23 11.399 6.593 -2.871 1.00 0.00 H new ATOM 0 HG21 THR A 23 12.140 4.447 -5.580 1.00 0.00 H new ATOM 0 HG22 THR A 23 10.996 3.212 -5.004 1.00 0.00 H new ATOM 0 HG23 THR A 23 10.405 4.826 -5.465 1.00 0.00 H new ATOM 304 N LEU A 24 7.787 4.788 -2.862 1.00 0.00 N ATOM 305 CA LEU A 24 6.513 5.215 -3.439 1.00 0.00 C ATOM 306 C LEU A 24 6.602 6.630 -4.011 1.00 0.00 C ATOM 307 O LEU A 24 7.127 7.539 -3.371 1.00 0.00 O ATOM 308 CB LEU A 24 5.408 5.144 -2.382 1.00 0.00 C ATOM 309 CG LEU A 24 4.164 4.357 -2.798 1.00 0.00 C ATOM 310 CD1 LEU A 24 4.542 2.950 -3.240 1.00 0.00 C ATOM 311 CD2 LEU A 24 3.159 4.310 -1.657 1.00 0.00 C ATOM 0 H LEU A 24 7.696 4.258 -1.995 1.00 0.00 H new ATOM 0 HA LEU A 24 6.274 4.538 -4.259 1.00 0.00 H new ATOM 0 HB2 LEU A 24 5.819 4.694 -1.478 1.00 0.00 H new ATOM 0 HB3 LEU A 24 5.107 6.159 -2.124 1.00 0.00 H new ATOM 0 HG LEU A 24 3.701 4.866 -3.643 1.00 0.00 H new ATOM 0 HD11 LEU A 24 3.643 2.407 -3.532 1.00 0.00 H new ATOM 0 HD12 LEU A 24 5.224 3.006 -4.089 1.00 0.00 H new ATOM 0 HD13 LEU A 24 5.030 2.429 -2.416 1.00 0.00 H new ATOM 0 HD21 LEU A 24 2.280 3.746 -1.969 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.612 3.825 -0.792 1.00 0.00 H new ATOM 0 HD23 LEU A 24 2.864 5.325 -1.390 1.00 0.00 H new ATOM 323 N LYS A 25 6.090 6.806 -5.223 1.00 0.00 N ATOM 324 CA LYS A 25 6.115 8.106 -5.880 1.00 0.00 C ATOM 325 C LYS A 25 5.079 9.041 -5.263 1.00 0.00 C ATOM 326 O LYS A 25 4.012 8.604 -4.834 1.00 0.00 O ATOM 327 CB LYS A 25 5.859 7.949 -7.381 1.00 0.00 C ATOM 328 CG LYS A 25 6.949 8.555 -8.249 1.00 0.00 C ATOM 329 CD LYS A 25 6.364 9.344 -9.408 1.00 0.00 C ATOM 330 CE LYS A 25 5.619 10.575 -8.920 1.00 0.00 C ATOM 331 NZ LYS A 25 5.852 11.752 -9.802 1.00 0.00 N ATOM 0 H LYS A 25 5.653 6.065 -5.770 1.00 0.00 H new ATOM 0 HA LYS A 25 7.103 8.543 -5.737 1.00 0.00 H new ATOM 0 HB2 LYS A 25 5.766 6.889 -7.617 1.00 0.00 H new ATOM 0 HB3 LYS A 25 4.906 8.416 -7.630 1.00 0.00 H new ATOM 0 HG2 LYS A 25 7.577 9.208 -7.643 1.00 0.00 H new ATOM 0 HG3 LYS A 25 7.591 7.763 -8.634 1.00 0.00 H new ATOM 0 HD2 LYS A 25 7.163 9.645 -10.085 1.00 0.00 H new ATOM 0 HD3 LYS A 25 5.686 8.708 -9.978 1.00 0.00 H new ATOM 0 HE2 LYS A 25 4.551 10.360 -8.877 1.00 0.00 H new ATOM 0 HE3 LYS A 25 5.937 10.813 -7.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 5.326 12.571 -9.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 6.868 11.974 -9.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 5.525 11.534 -10.765 1.00 0.00 H new ATOM 345 N SER A 26 5.400 10.331 -5.219 1.00 0.00 N ATOM 346 CA SER A 26 4.494 11.324 -4.653 1.00 0.00 C ATOM 347 C SER A 26 3.112 11.226 -5.291 1.00 0.00 C ATOM 348 O SER A 26 2.093 11.407 -4.623 1.00 0.00 O ATOM 349 CB SER A 26 5.059 12.731 -4.849 1.00 0.00 C ATOM 350 OG SER A 26 4.543 13.628 -3.880 1.00 0.00 O ATOM 0 H SER A 26 6.279 10.712 -5.568 1.00 0.00 H new ATOM 0 HA SER A 26 4.397 11.124 -3.586 1.00 0.00 H new ATOM 0 HB2 SER A 26 6.146 12.702 -4.780 1.00 0.00 H new ATOM 0 HB3 SER A 26 4.812 13.089 -5.848 1.00 0.00 H new ATOM 0 HG SER A 26 4.921 14.520 -4.026 1.00 0.00 H new ATOM 356 N SER A 27 3.085 10.930 -6.586 1.00 0.00 N ATOM 357 CA SER A 27 1.830 10.801 -7.317 1.00 0.00 C ATOM 358 C SER A 27 1.505 9.332 -7.567 1.00 0.00 C ATOM 359 O SER A 27 0.933 8.978 -8.599 1.00 0.00 O ATOM 360 CB SER A 27 1.909 11.553 -8.646 1.00 0.00 C ATOM 361 OG SER A 27 2.879 12.584 -8.593 1.00 0.00 O ATOM 0 H SER A 27 3.919 10.775 -7.152 1.00 0.00 H new ATOM 0 HA SER A 27 1.035 11.237 -6.712 1.00 0.00 H new ATOM 0 HB2 SER A 27 2.158 10.857 -9.447 1.00 0.00 H new ATOM 0 HB3 SER A 27 0.934 11.979 -8.885 1.00 0.00 H new ATOM 0 HG SER A 27 2.911 13.048 -9.456 1.00 0.00 H new ATOM 367 N THR A 28 1.875 8.480 -6.616 1.00 0.00 N ATOM 368 CA THR A 28 1.627 7.047 -6.730 1.00 0.00 C ATOM 369 C THR A 28 0.218 6.697 -6.262 1.00 0.00 C ATOM 370 O THR A 28 -0.104 6.826 -5.081 1.00 0.00 O ATOM 371 CB THR A 28 2.664 6.264 -5.916 1.00 0.00 C ATOM 372 OG1 THR A 28 3.907 6.233 -6.589 1.00 0.00 O ATOM 373 CG2 THR A 28 2.264 4.829 -5.634 1.00 0.00 C ATOM 0 H THR A 28 2.348 8.758 -5.756 1.00 0.00 H new ATOM 0 HA THR A 28 1.716 6.769 -7.780 1.00 0.00 H new ATOM 0 HB THR A 28 2.735 6.794 -4.966 1.00 0.00 H new ATOM 0 HG1 THR A 28 4.158 5.303 -6.769 1.00 0.00 H new ATOM 0 HG21 THR A 28 3.047 4.340 -5.054 1.00 0.00 H new ATOM 0 HG22 THR A 28 1.332 4.815 -5.069 1.00 0.00 H new ATOM 0 HG23 THR A 28 2.125 4.298 -6.576 1.00 0.00 H new ATOM 381 N THR A 29 -0.610 6.241 -7.193 1.00 0.00 N ATOM 382 CA THR A 29 -1.978 5.856 -6.873 1.00 0.00 C ATOM 383 C THR A 29 -2.013 4.426 -6.341 1.00 0.00 C ATOM 384 O THR A 29 -0.988 3.746 -6.306 1.00 0.00 O ATOM 385 CB THR A 29 -2.872 5.978 -8.109 1.00 0.00 C ATOM 386 OG1 THR A 29 -4.134 5.379 -7.876 1.00 0.00 O ATOM 387 CG2 THR A 29 -2.278 5.333 -9.344 1.00 0.00 C ATOM 0 H THR A 29 -0.358 6.129 -8.175 1.00 0.00 H new ATOM 0 HA THR A 29 -2.355 6.529 -6.103 1.00 0.00 H new ATOM 0 HB THR A 29 -2.970 7.048 -8.290 1.00 0.00 H new ATOM 0 HG1 THR A 29 -4.745 5.608 -8.607 1.00 0.00 H new ATOM 0 HG21 THR A 29 -2.962 5.456 -10.183 1.00 0.00 H new ATOM 0 HG22 THR A 29 -1.326 5.808 -9.580 1.00 0.00 H new ATOM 0 HG23 THR A 29 -2.118 4.271 -9.159 1.00 0.00 H new ATOM 395 N PHE A 30 -3.192 3.973 -5.929 1.00 0.00 N ATOM 396 CA PHE A 30 -3.346 2.620 -5.400 1.00 0.00 C ATOM 397 C PHE A 30 -2.693 1.595 -6.323 1.00 0.00 C ATOM 398 O PHE A 30 -1.980 0.700 -5.867 1.00 0.00 O ATOM 399 CB PHE A 30 -4.827 2.283 -5.215 1.00 0.00 C ATOM 400 CG PHE A 30 -5.061 0.901 -4.673 1.00 0.00 C ATOM 401 CD1 PHE A 30 -4.837 0.622 -3.333 1.00 0.00 C ATOM 402 CD2 PHE A 30 -5.501 -0.118 -5.502 1.00 0.00 C ATOM 403 CE1 PHE A 30 -5.047 -0.649 -2.832 1.00 0.00 C ATOM 404 CE2 PHE A 30 -5.714 -1.390 -5.005 1.00 0.00 C ATOM 405 CZ PHE A 30 -5.487 -1.656 -3.669 1.00 0.00 C ATOM 0 H PHE A 30 -4.053 4.519 -5.950 1.00 0.00 H new ATOM 0 HA PHE A 30 -2.848 2.581 -4.431 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -5.276 3.011 -4.540 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -5.337 2.381 -6.173 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -4.495 1.406 -2.674 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -5.680 0.084 -6.548 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -4.867 -0.855 -1.787 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -6.058 -2.176 -5.661 1.00 0.00 H new ATOM 0 HZ PHE A 30 -5.653 -2.649 -3.279 1.00 0.00 H new ATOM 415 N PHE A 31 -2.936 1.734 -7.622 1.00 0.00 N ATOM 416 CA PHE A 31 -2.368 0.822 -8.607 1.00 0.00 C ATOM 417 C PHE A 31 -0.846 0.909 -8.605 1.00 0.00 C ATOM 418 O PHE A 31 -0.155 -0.109 -8.645 1.00 0.00 O ATOM 419 CB PHE A 31 -2.910 1.141 -10.001 1.00 0.00 C ATOM 420 CG PHE A 31 -4.411 1.157 -10.072 1.00 0.00 C ATOM 421 CD1 PHE A 31 -5.125 -0.025 -10.188 1.00 0.00 C ATOM 422 CD2 PHE A 31 -5.107 2.354 -10.019 1.00 0.00 C ATOM 423 CE1 PHE A 31 -6.505 -0.013 -10.251 1.00 0.00 C ATOM 424 CE2 PHE A 31 -6.487 2.372 -10.083 1.00 0.00 C ATOM 425 CZ PHE A 31 -7.187 1.186 -10.199 1.00 0.00 C ATOM 0 H PHE A 31 -3.522 2.469 -8.017 1.00 0.00 H new ATOM 0 HA PHE A 31 -2.658 -0.194 -8.340 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -2.529 2.112 -10.317 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -2.529 0.404 -10.708 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -4.597 -0.966 -10.230 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -4.565 3.283 -9.927 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -7.050 -0.941 -10.341 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -7.018 3.312 -10.042 1.00 0.00 H new ATOM 0 HZ PHE A 31 -8.266 1.197 -10.249 1.00 0.00 H new ATOM 435 N GLU A 32 -0.330 2.133 -8.556 1.00 0.00 N ATOM 436 CA GLU A 32 1.112 2.353 -8.545 1.00 0.00 C ATOM 437 C GLU A 32 1.734 1.782 -7.275 1.00 0.00 C ATOM 438 O GLU A 32 2.876 1.321 -7.283 1.00 0.00 O ATOM 439 CB GLU A 32 1.421 3.847 -8.656 1.00 0.00 C ATOM 440 CG GLU A 32 1.428 4.363 -10.086 1.00 0.00 C ATOM 441 CD GLU A 32 2.177 5.672 -10.231 1.00 0.00 C ATOM 442 OE1 GLU A 32 3.407 5.681 -10.007 1.00 0.00 O ATOM 443 OE2 GLU A 32 1.536 6.688 -10.571 1.00 0.00 O ATOM 0 H GLU A 32 -0.888 2.986 -8.523 1.00 0.00 H new ATOM 0 HA GLU A 32 1.544 1.838 -9.403 1.00 0.00 H new ATOM 0 HB2 GLU A 32 0.683 4.406 -8.081 1.00 0.00 H new ATOM 0 HB3 GLU A 32 2.393 4.043 -8.203 1.00 0.00 H new ATOM 0 HG2 GLU A 32 1.883 3.615 -10.736 1.00 0.00 H new ATOM 0 HG3 GLU A 32 0.401 4.497 -10.425 1.00 0.00 H new ATOM 450 N LEU A 33 0.974 1.813 -6.186 1.00 0.00 N ATOM 451 CA LEU A 33 1.447 1.294 -4.909 1.00 0.00 C ATOM 452 C LEU A 33 1.475 -0.232 -4.929 1.00 0.00 C ATOM 453 O LEU A 33 2.410 -0.853 -4.423 1.00 0.00 O ATOM 454 CB LEU A 33 0.552 1.795 -3.768 1.00 0.00 C ATOM 455 CG LEU A 33 0.706 1.058 -2.433 1.00 0.00 C ATOM 456 CD1 LEU A 33 2.170 0.968 -2.031 1.00 0.00 C ATOM 457 CD2 LEU A 33 -0.102 1.753 -1.347 1.00 0.00 C ATOM 0 H LEU A 33 0.027 2.192 -6.162 1.00 0.00 H new ATOM 0 HA LEU A 33 2.462 1.656 -4.743 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.760 2.852 -3.605 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -0.488 1.720 -4.086 1.00 0.00 H new ATOM 0 HG LEU A 33 0.324 0.045 -2.556 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.255 0.441 -1.081 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.725 0.426 -2.797 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.581 1.972 -1.927 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.018 1.217 -0.405 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.252 2.777 -1.230 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.155 1.763 -1.627 1.00 0.00 H new ATOM 469 N GLN A 34 0.445 -0.829 -5.520 1.00 0.00 N ATOM 470 CA GLN A 34 0.353 -2.281 -5.610 1.00 0.00 C ATOM 471 C GLN A 34 1.517 -2.851 -6.414 1.00 0.00 C ATOM 472 O GLN A 34 1.926 -3.994 -6.209 1.00 0.00 O ATOM 473 CB GLN A 34 -0.974 -2.690 -6.254 1.00 0.00 C ATOM 474 CG GLN A 34 -2.194 -2.298 -5.437 1.00 0.00 C ATOM 475 CD GLN A 34 -2.820 -3.479 -4.722 1.00 0.00 C ATOM 476 OE1 GLN A 34 -4.030 -3.692 -4.793 1.00 0.00 O ATOM 477 NE2 GLN A 34 -1.996 -4.255 -4.028 1.00 0.00 N ATOM 0 H GLN A 34 -0.337 -0.330 -5.943 1.00 0.00 H new ATOM 0 HA GLN A 34 0.399 -2.686 -4.599 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -1.046 -2.232 -7.241 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -0.978 -3.770 -6.403 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -1.909 -1.544 -4.704 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -2.935 -1.841 -6.093 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -0.999 -4.041 -3.997 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -2.360 -5.065 -3.526 1.00 0.00 H new ATOM 486 N GLU A 35 2.046 -2.047 -7.332 1.00 0.00 N ATOM 487 CA GLU A 35 3.161 -2.471 -8.170 1.00 0.00 C ATOM 488 C GLU A 35 4.470 -2.472 -7.385 1.00 0.00 C ATOM 489 O GLU A 35 5.398 -3.210 -7.713 1.00 0.00 O ATOM 490 CB GLU A 35 3.286 -1.556 -9.389 1.00 0.00 C ATOM 491 CG GLU A 35 4.381 -1.979 -10.357 1.00 0.00 C ATOM 492 CD GLU A 35 3.857 -2.234 -11.757 1.00 0.00 C ATOM 493 OE1 GLU A 35 3.752 -1.266 -12.538 1.00 0.00 O ATOM 494 OE2 GLU A 35 3.553 -3.404 -12.071 1.00 0.00 O ATOM 0 H GLU A 35 1.720 -1.098 -7.514 1.00 0.00 H new ATOM 0 HA GLU A 35 2.961 -3.489 -8.505 1.00 0.00 H new ATOM 0 HB2 GLU A 35 2.333 -1.536 -9.917 1.00 0.00 H new ATOM 0 HB3 GLU A 35 3.484 -0.539 -9.051 1.00 0.00 H new ATOM 0 HG2 GLU A 35 5.146 -1.204 -10.395 1.00 0.00 H new ATOM 0 HG3 GLU A 35 4.862 -2.883 -9.983 1.00 0.00 H new ATOM 501 N SER A 36 4.539 -1.641 -6.349 1.00 0.00 N ATOM 502 CA SER A 36 5.738 -1.550 -5.522 1.00 0.00 C ATOM 503 C SER A 36 5.853 -2.759 -4.601 1.00 0.00 C ATOM 504 O SER A 36 6.858 -3.471 -4.619 1.00 0.00 O ATOM 505 CB SER A 36 5.716 -0.263 -4.696 1.00 0.00 C ATOM 506 OG SER A 36 5.710 0.881 -5.532 1.00 0.00 O ATOM 0 H SER A 36 3.780 -1.022 -6.063 1.00 0.00 H new ATOM 0 HA SER A 36 6.606 -1.534 -6.181 1.00 0.00 H new ATOM 0 HB2 SER A 36 4.834 -0.254 -4.056 1.00 0.00 H new ATOM 0 HB3 SER A 36 6.586 -0.233 -4.040 1.00 0.00 H new ATOM 0 HG SER A 36 4.860 0.927 -6.018 1.00 0.00 H new ATOM 512 N ILE A 37 4.817 -2.988 -3.802 1.00 0.00 N ATOM 513 CA ILE A 37 4.796 -4.115 -2.876 1.00 0.00 C ATOM 514 C ILE A 37 5.089 -5.422 -3.603 1.00 0.00 C ATOM 515 O ILE A 37 5.802 -6.285 -3.090 1.00 0.00 O ATOM 516 CB ILE A 37 3.431 -4.229 -2.168 1.00 0.00 C ATOM 517 CG1 ILE A 37 3.076 -2.911 -1.479 1.00 0.00 C ATOM 518 CG2 ILE A 37 3.439 -5.375 -1.167 1.00 0.00 C ATOM 519 CD1 ILE A 37 1.663 -2.446 -1.759 1.00 0.00 C ATOM 0 H ILE A 37 3.979 -2.407 -3.777 1.00 0.00 H new ATOM 0 HA ILE A 37 5.571 -3.934 -2.131 1.00 0.00 H new ATOM 0 HB ILE A 37 2.670 -4.440 -2.919 1.00 0.00 H new ATOM 0 HG12 ILE A 37 3.206 -3.026 -0.403 1.00 0.00 H new ATOM 0 HG13 ILE A 37 3.775 -2.140 -1.804 1.00 0.00 H new ATOM 0 HG21 ILE A 37 2.467 -5.438 -0.678 1.00 0.00 H new ATOM 0 HG22 ILE A 37 3.645 -6.311 -1.687 1.00 0.00 H new ATOM 0 HG23 ILE A 37 4.211 -5.198 -0.418 1.00 0.00 H new ATOM 0 HD11 ILE A 37 1.480 -1.506 -1.239 1.00 0.00 H new ATOM 0 HD12 ILE A 37 1.534 -2.299 -2.831 1.00 0.00 H new ATOM 0 HD13 ILE A 37 0.956 -3.198 -1.409 1.00 0.00 H new ATOM 531 N ALA A 38 4.531 -5.561 -4.799 1.00 0.00 N ATOM 532 CA ALA A 38 4.730 -6.761 -5.599 1.00 0.00 C ATOM 533 C ALA A 38 6.209 -6.995 -5.889 1.00 0.00 C ATOM 534 O ALA A 38 6.614 -8.106 -6.230 1.00 0.00 O ATOM 535 CB ALA A 38 3.941 -6.663 -6.897 1.00 0.00 C ATOM 0 H ALA A 38 3.937 -4.857 -5.236 1.00 0.00 H new ATOM 0 HA ALA A 38 4.365 -7.614 -5.027 1.00 0.00 H new ATOM 0 HB1 ALA A 38 4.098 -7.566 -7.487 1.00 0.00 H new ATOM 0 HB2 ALA A 38 2.880 -6.557 -6.671 1.00 0.00 H new ATOM 0 HB3 ALA A 38 4.280 -5.796 -7.464 1.00 0.00 H new ATOM 541 N ARG A 39 7.016 -5.947 -5.746 1.00 0.00 N ATOM 542 CA ARG A 39 8.451 -6.055 -5.989 1.00 0.00 C ATOM 543 C ARG A 39 9.178 -6.406 -4.702 1.00 0.00 C ATOM 544 O ARG A 39 10.010 -7.313 -4.666 1.00 0.00 O ATOM 545 CB ARG A 39 9.003 -4.745 -6.554 1.00 0.00 C ATOM 546 CG ARG A 39 8.049 -4.032 -7.497 1.00 0.00 C ATOM 547 CD ARG A 39 8.801 -3.268 -8.573 1.00 0.00 C ATOM 548 NE ARG A 39 8.025 -3.153 -9.807 1.00 0.00 N ATOM 549 CZ ARG A 39 8.561 -2.903 -10.999 1.00 0.00 C ATOM 550 NH1 ARG A 39 9.872 -2.734 -11.125 1.00 0.00 N ATOM 551 NH2 ARG A 39 7.784 -2.817 -12.070 1.00 0.00 N ATOM 0 H ARG A 39 6.703 -5.018 -5.465 1.00 0.00 H new ATOM 0 HA ARG A 39 8.614 -6.848 -6.719 1.00 0.00 H new ATOM 0 HB2 ARG A 39 9.247 -4.078 -5.727 1.00 0.00 H new ATOM 0 HB3 ARG A 39 9.934 -4.952 -7.082 1.00 0.00 H new ATOM 0 HG2 ARG A 39 7.384 -4.759 -7.963 1.00 0.00 H new ATOM 0 HG3 ARG A 39 7.422 -3.343 -6.931 1.00 0.00 H new ATOM 0 HD2 ARG A 39 9.047 -2.272 -8.205 1.00 0.00 H new ATOM 0 HD3 ARG A 39 9.744 -3.772 -8.784 1.00 0.00 H new ATOM 0 HE ARG A 39 7.013 -3.271 -9.751 1.00 0.00 H new ATOM 0 HH11 ARG A 39 10.475 -2.796 -10.305 1.00 0.00 H new ATOM 0 HH12 ARG A 39 10.276 -2.543 -12.042 1.00 0.00 H new ATOM 0 HH21 ARG A 39 6.776 -2.942 -11.980 1.00 0.00 H new ATOM 0 HH22 ARG A 39 8.195 -2.625 -12.984 1.00 0.00 H new ATOM 565 N GLU A 40 8.855 -5.672 -3.647 1.00 0.00 N ATOM 566 CA GLU A 40 9.467 -5.883 -2.344 1.00 0.00 C ATOM 567 C GLU A 40 9.111 -7.257 -1.780 1.00 0.00 C ATOM 568 O GLU A 40 9.894 -7.854 -1.042 1.00 0.00 O ATOM 569 CB GLU A 40 9.024 -4.778 -1.380 1.00 0.00 C ATOM 570 CG GLU A 40 9.983 -3.596 -1.322 1.00 0.00 C ATOM 571 CD GLU A 40 10.442 -3.142 -2.695 1.00 0.00 C ATOM 572 OE1 GLU A 40 9.575 -2.920 -3.567 1.00 0.00 O ATOM 573 OE2 GLU A 40 11.666 -3.008 -2.898 1.00 0.00 O ATOM 0 H GLU A 40 8.167 -4.919 -3.669 1.00 0.00 H new ATOM 0 HA GLU A 40 10.550 -5.845 -2.462 1.00 0.00 H new ATOM 0 HB2 GLU A 40 8.039 -4.421 -1.679 1.00 0.00 H new ATOM 0 HB3 GLU A 40 8.920 -5.200 -0.380 1.00 0.00 H new ATOM 0 HG2 GLU A 40 9.496 -2.764 -0.813 1.00 0.00 H new ATOM 0 HG3 GLU A 40 10.853 -3.869 -0.725 1.00 0.00 H new ATOM 580 N PHE A 41 7.925 -7.753 -2.126 1.00 0.00 N ATOM 581 CA PHE A 41 7.474 -9.054 -1.646 1.00 0.00 C ATOM 582 C PHE A 41 7.178 -10.002 -2.805 1.00 0.00 C ATOM 583 O PHE A 41 7.526 -9.717 -3.951 1.00 0.00 O ATOM 584 CB PHE A 41 6.248 -8.880 -0.757 1.00 0.00 C ATOM 585 CG PHE A 41 6.460 -7.851 0.316 1.00 0.00 C ATOM 586 CD1 PHE A 41 7.009 -8.205 1.538 1.00 0.00 C ATOM 587 CD2 PHE A 41 6.119 -6.529 0.098 1.00 0.00 C ATOM 588 CE1 PHE A 41 7.211 -7.259 2.522 1.00 0.00 C ATOM 589 CE2 PHE A 41 6.318 -5.578 1.078 1.00 0.00 C ATOM 590 CZ PHE A 41 6.865 -5.943 2.292 1.00 0.00 C ATOM 0 H PHE A 41 7.262 -7.274 -2.735 1.00 0.00 H new ATOM 0 HA PHE A 41 8.275 -9.502 -1.058 1.00 0.00 H new ATOM 0 HB2 PHE A 41 5.395 -8.590 -1.371 1.00 0.00 H new ATOM 0 HB3 PHE A 41 5.998 -9.836 -0.296 1.00 0.00 H new ATOM 0 HD1 PHE A 41 7.282 -9.234 1.722 1.00 0.00 H new ATOM 0 HD2 PHE A 41 5.692 -6.237 -0.850 1.00 0.00 H new ATOM 0 HE1 PHE A 41 7.639 -7.548 3.470 1.00 0.00 H new ATOM 0 HE2 PHE A 41 6.046 -4.549 0.895 1.00 0.00 H new ATOM 0 HZ PHE A 41 7.022 -5.200 3.060 1.00 0.00 H new ATOM 600 N ASN A 42 6.560 -11.142 -2.501 1.00 0.00 N ATOM 601 CA ASN A 42 6.254 -12.135 -3.529 1.00 0.00 C ATOM 602 C ASN A 42 4.752 -12.271 -3.780 1.00 0.00 C ATOM 603 O ASN A 42 4.224 -13.383 -3.829 1.00 0.00 O ATOM 604 CB ASN A 42 6.839 -13.492 -3.131 1.00 0.00 C ATOM 605 CG ASN A 42 8.352 -13.465 -3.044 1.00 0.00 C ATOM 606 OD1 ASN A 42 9.046 -13.976 -3.923 1.00 0.00 O ATOM 607 ND2 ASN A 42 8.872 -12.865 -1.979 1.00 0.00 N ATOM 0 H ASN A 42 6.264 -11.400 -1.560 1.00 0.00 H new ATOM 0 HA ASN A 42 6.708 -11.791 -4.458 1.00 0.00 H new ATOM 0 HB2 ASN A 42 6.428 -13.794 -2.168 1.00 0.00 H new ATOM 0 HB3 ASN A 42 6.533 -14.244 -3.858 1.00 0.00 H new ATOM 0 HD21 ASN A 42 9.884 -12.815 -1.866 1.00 0.00 H new ATOM 0 HD22 ASN A 42 8.259 -12.455 -1.275 1.00 0.00 H new ATOM 614 N ILE A 43 4.067 -11.146 -3.953 1.00 0.00 N ATOM 615 CA ILE A 43 2.629 -11.169 -4.215 1.00 0.00 C ATOM 616 C ILE A 43 2.236 -10.144 -5.279 1.00 0.00 C ATOM 617 O ILE A 43 2.700 -9.005 -5.257 1.00 0.00 O ATOM 618 CB ILE A 43 1.816 -10.903 -2.935 1.00 0.00 C ATOM 619 CG1 ILE A 43 2.225 -11.889 -1.844 1.00 0.00 C ATOM 620 CG2 ILE A 43 0.324 -11.006 -3.213 1.00 0.00 C ATOM 621 CD1 ILE A 43 3.348 -11.384 -0.975 1.00 0.00 C ATOM 0 H ILE A 43 4.478 -10.213 -3.917 1.00 0.00 H new ATOM 0 HA ILE A 43 2.398 -12.169 -4.581 1.00 0.00 H new ATOM 0 HB ILE A 43 2.027 -9.890 -2.593 1.00 0.00 H new ATOM 0 HG12 ILE A 43 1.360 -12.107 -1.218 1.00 0.00 H new ATOM 0 HG13 ILE A 43 2.527 -12.828 -2.307 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -0.231 -10.814 -2.295 1.00 0.00 H new ATOM 0 HG22 ILE A 43 0.043 -10.271 -3.967 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.090 -12.007 -3.577 1.00 0.00 H new ATOM 0 HD11 ILE A 43 3.589 -12.133 -0.221 1.00 0.00 H new ATOM 0 HD12 ILE A 43 4.227 -11.193 -1.591 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.041 -10.460 -0.484 1.00 0.00 H new ATOM 633 N PRO A 44 1.366 -10.538 -6.230 1.00 0.00 N ATOM 634 CA PRO A 44 0.910 -9.647 -7.304 1.00 0.00 C ATOM 635 C PRO A 44 0.056 -8.495 -6.779 1.00 0.00 C ATOM 636 O PRO A 44 -0.291 -8.455 -5.599 1.00 0.00 O ATOM 637 CB PRO A 44 0.075 -10.564 -8.202 1.00 0.00 C ATOM 638 CG PRO A 44 -0.360 -11.676 -7.312 1.00 0.00 C ATOM 639 CD PRO A 44 0.760 -11.879 -6.332 1.00 0.00 C ATOM 0 HA PRO A 44 1.745 -9.172 -7.818 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -0.781 -10.035 -8.621 1.00 0.00 H new ATOM 0 HB3 PRO A 44 0.662 -10.936 -9.042 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -1.288 -11.425 -6.798 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -0.548 -12.584 -7.885 1.00 0.00 H new ATOM 0 HD2 PRO A 44 0.392 -12.229 -5.367 1.00 0.00 H new ATOM 0 HD3 PRO A 44 1.477 -12.619 -6.688 1.00 0.00 H new ATOM 647 N PRO A 45 -0.293 -7.536 -7.655 1.00 0.00 N ATOM 648 CA PRO A 45 -1.108 -6.375 -7.276 1.00 0.00 C ATOM 649 C PRO A 45 -2.555 -6.745 -6.960 1.00 0.00 C ATOM 650 O PRO A 45 -3.268 -5.984 -6.305 1.00 0.00 O ATOM 651 CB PRO A 45 -1.047 -5.478 -8.514 1.00 0.00 C ATOM 652 CG PRO A 45 -0.780 -6.410 -9.644 1.00 0.00 C ATOM 653 CD PRO A 45 0.082 -7.504 -9.082 1.00 0.00 C ATOM 0 HA PRO A 45 -0.735 -5.903 -6.367 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -1.983 -4.939 -8.659 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -0.259 -4.730 -8.423 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -1.710 -6.813 -10.046 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -0.275 -5.897 -10.462 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -0.112 -8.459 -9.570 1.00 0.00 H new ATOM 0 HD3 PRO A 45 1.142 -7.288 -9.214 1.00 0.00 H new ATOM 661 N TYR A 46 -2.988 -7.911 -7.430 1.00 0.00 N ATOM 662 CA TYR A 46 -4.355 -8.365 -7.194 1.00 0.00 C ATOM 663 C TYR A 46 -4.438 -9.300 -5.987 1.00 0.00 C ATOM 664 O TYR A 46 -5.464 -9.940 -5.762 1.00 0.00 O ATOM 665 CB TYR A 46 -4.905 -9.067 -8.437 1.00 0.00 C ATOM 666 CG TYR A 46 -4.187 -10.353 -8.779 1.00 0.00 C ATOM 667 CD1 TYR A 46 -3.038 -10.342 -9.558 1.00 0.00 C ATOM 668 CD2 TYR A 46 -4.662 -11.577 -8.325 1.00 0.00 C ATOM 669 CE1 TYR A 46 -2.380 -11.517 -9.875 1.00 0.00 C ATOM 670 CE2 TYR A 46 -4.009 -12.755 -8.636 1.00 0.00 C ATOM 671 CZ TYR A 46 -2.869 -12.719 -9.413 1.00 0.00 C ATOM 672 OH TYR A 46 -2.216 -13.890 -9.726 1.00 0.00 O ATOM 0 H TYR A 46 -2.415 -8.556 -7.974 1.00 0.00 H new ATOM 0 HA TYR A 46 -4.961 -7.485 -6.980 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -5.963 -9.282 -8.284 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -4.838 -8.387 -9.286 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -2.652 -9.402 -9.922 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -5.556 -11.609 -7.719 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -1.487 -11.492 -10.482 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -4.389 -13.699 -8.273 1.00 0.00 H new ATOM 0 HH TYR A 46 -2.690 -14.647 -9.322 1.00 0.00 H new ATOM 682 N LEU A 47 -3.357 -9.377 -5.213 1.00 0.00 N ATOM 683 CA LEU A 47 -3.329 -10.238 -4.033 1.00 0.00 C ATOM 684 C LEU A 47 -2.710 -9.526 -2.830 1.00 0.00 C ATOM 685 O LEU A 47 -2.529 -10.132 -1.773 1.00 0.00 O ATOM 686 CB LEU A 47 -2.549 -11.520 -4.331 1.00 0.00 C ATOM 687 CG LEU A 47 -3.252 -12.504 -5.267 1.00 0.00 C ATOM 688 CD1 LEU A 47 -2.391 -13.738 -5.486 1.00 0.00 C ATOM 689 CD2 LEU A 47 -4.611 -12.893 -4.703 1.00 0.00 C ATOM 0 H LEU A 47 -2.495 -8.858 -5.380 1.00 0.00 H new ATOM 0 HA LEU A 47 -4.360 -10.488 -3.785 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -1.588 -11.249 -4.769 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -2.338 -12.026 -3.389 1.00 0.00 H new ATOM 0 HG LEU A 47 -3.405 -12.017 -6.230 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -2.907 -14.427 -6.154 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -1.440 -13.444 -5.931 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -2.208 -14.228 -4.530 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -5.099 -13.594 -5.380 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -4.479 -13.363 -3.728 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -5.229 -12.002 -4.596 1.00 0.00 H new ATOM 701 N GLN A 48 -2.383 -8.246 -2.988 1.00 0.00 N ATOM 702 CA GLN A 48 -1.785 -7.476 -1.904 1.00 0.00 C ATOM 703 C GLN A 48 -2.765 -6.444 -1.355 1.00 0.00 C ATOM 704 O GLN A 48 -3.106 -5.475 -2.033 1.00 0.00 O ATOM 705 CB GLN A 48 -0.514 -6.780 -2.393 1.00 0.00 C ATOM 706 CG GLN A 48 0.585 -7.745 -2.812 1.00 0.00 C ATOM 707 CD GLN A 48 1.687 -7.070 -3.607 1.00 0.00 C ATOM 708 OE1 GLN A 48 2.869 -7.223 -3.303 1.00 0.00 O ATOM 709 NE2 GLN A 48 1.305 -6.321 -4.635 1.00 0.00 N ATOM 0 H GLN A 48 -2.522 -7.723 -3.853 1.00 0.00 H new ATOM 0 HA GLN A 48 -1.532 -8.166 -1.099 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -0.763 -6.137 -3.237 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -0.136 -6.133 -1.601 1.00 0.00 H new ATOM 0 HG2 GLN A 48 1.015 -8.207 -1.923 1.00 0.00 H new ATOM 0 HG3 GLN A 48 0.150 -8.546 -3.410 1.00 0.00 H new ATOM 0 HE21 GLN A 48 0.313 -6.221 -4.852 1.00 0.00 H new ATOM 0 HE22 GLN A 48 2.003 -5.846 -5.207 1.00 0.00 H new ATOM 718 N CYS A 49 -3.206 -6.653 -0.120 1.00 0.00 N ATOM 719 CA CYS A 49 -4.137 -5.736 0.527 1.00 0.00 C ATOM 720 C CYS A 49 -3.389 -4.815 1.484 1.00 0.00 C ATOM 721 O CYS A 49 -2.947 -5.242 2.551 1.00 0.00 O ATOM 722 CB CYS A 49 -5.218 -6.516 1.276 1.00 0.00 C ATOM 723 SG CYS A 49 -6.422 -5.474 2.133 1.00 0.00 S ATOM 0 H CYS A 49 -2.933 -7.451 0.454 1.00 0.00 H new ATOM 0 HA CYS A 49 -4.617 -5.128 -0.240 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -5.746 -7.155 0.568 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -4.739 -7.172 2.003 1.00 0.00 H new ATOM 0 HG CYS A 49 -7.296 -6.225 2.735 1.00 0.00 H new ATOM 729 N ILE A 50 -3.239 -3.555 1.087 1.00 0.00 N ATOM 730 CA ILE A 50 -2.526 -2.572 1.896 1.00 0.00 C ATOM 731 C ILE A 50 -3.383 -2.051 3.044 1.00 0.00 C ATOM 732 O ILE A 50 -4.611 -2.027 2.962 1.00 0.00 O ATOM 733 CB ILE A 50 -2.059 -1.379 1.038 1.00 0.00 C ATOM 734 CG1 ILE A 50 -1.289 -1.875 -0.189 1.00 0.00 C ATOM 735 CG2 ILE A 50 -1.198 -0.434 1.864 1.00 0.00 C ATOM 736 CD1 ILE A 50 -1.694 -1.188 -1.475 1.00 0.00 C ATOM 0 H ILE A 50 -3.603 -3.190 0.207 1.00 0.00 H new ATOM 0 HA ILE A 50 -1.658 -3.085 2.311 1.00 0.00 H new ATOM 0 HB ILE A 50 -2.938 -0.832 0.696 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -0.222 -1.722 -0.025 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -1.444 -2.949 -0.296 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -0.877 0.402 1.243 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -1.777 -0.058 2.708 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -0.323 -0.968 2.234 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -1.108 -1.589 -2.302 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -2.753 -1.363 -1.663 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -1.513 -0.117 -1.388 1.00 0.00 H new ATOM 748 N ARG A 51 -2.715 -1.628 4.112 1.00 0.00 N ATOM 749 CA ARG A 51 -3.390 -1.094 5.288 1.00 0.00 C ATOM 750 C ARG A 51 -2.530 -0.023 5.950 1.00 0.00 C ATOM 751 O ARG A 51 -1.304 -0.124 5.966 1.00 0.00 O ATOM 752 CB ARG A 51 -3.690 -2.216 6.283 1.00 0.00 C ATOM 753 CG ARG A 51 -4.536 -3.336 5.701 1.00 0.00 C ATOM 754 CD ARG A 51 -5.378 -4.009 6.771 1.00 0.00 C ATOM 755 NE ARG A 51 -6.292 -4.999 6.208 1.00 0.00 N ATOM 756 CZ ARG A 51 -6.866 -5.967 6.920 1.00 0.00 C ATOM 757 NH1 ARG A 51 -6.625 -6.077 8.220 1.00 0.00 N ATOM 758 NH2 ARG A 51 -7.686 -6.827 6.329 1.00 0.00 N ATOM 0 H ARG A 51 -1.698 -1.645 4.186 1.00 0.00 H new ATOM 0 HA ARG A 51 -4.331 -0.644 4.973 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -2.749 -2.632 6.643 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -4.204 -1.796 7.148 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -5.186 -2.936 4.923 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -3.889 -4.074 5.228 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -4.723 -4.492 7.497 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -5.950 -3.254 7.310 1.00 0.00 H new ATOM 0 HE ARG A 51 -6.503 -4.946 5.211 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -5.997 -5.418 8.680 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -7.068 -6.821 8.760 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -7.876 -6.746 5.330 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -8.126 -7.569 6.874 1.00 0.00 H new ATOM 772 N TYR A 52 -3.175 1.003 6.492 1.00 0.00 N ATOM 773 CA TYR A 52 -2.456 2.090 7.147 1.00 0.00 C ATOM 774 C TYR A 52 -3.225 2.612 8.356 1.00 0.00 C ATOM 775 O TYR A 52 -4.422 2.363 8.499 1.00 0.00 O ATOM 776 CB TYR A 52 -2.206 3.230 6.158 1.00 0.00 C ATOM 777 CG TYR A 52 -3.473 3.882 5.649 1.00 0.00 C ATOM 778 CD1 TYR A 52 -4.181 3.333 4.587 1.00 0.00 C ATOM 779 CD2 TYR A 52 -3.961 5.045 6.231 1.00 0.00 C ATOM 780 CE1 TYR A 52 -5.338 3.926 4.120 1.00 0.00 C ATOM 781 CE2 TYR A 52 -5.117 5.644 5.769 1.00 0.00 C ATOM 782 CZ TYR A 52 -5.802 5.080 4.714 1.00 0.00 C ATOM 783 OH TYR A 52 -6.954 5.672 4.251 1.00 0.00 O ATOM 0 H TYR A 52 -4.190 1.106 6.491 1.00 0.00 H new ATOM 0 HA TYR A 52 -1.500 1.698 7.494 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -1.586 3.987 6.639 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -1.640 2.846 5.310 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -3.821 2.428 4.119 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -3.428 5.489 7.059 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -5.877 3.487 3.293 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -5.482 6.549 6.232 1.00 0.00 H new ATOM 0 HH TYR A 52 -7.144 6.476 4.779 1.00 0.00 H new ATOM 793 N GLY A 53 -2.527 3.339 9.225 1.00 0.00 N ATOM 794 CA GLY A 53 -3.157 3.889 10.411 1.00 0.00 C ATOM 795 C GLY A 53 -3.452 2.833 11.459 1.00 0.00 C ATOM 796 O GLY A 53 -3.199 1.648 11.245 1.00 0.00 O ATOM 0 H GLY A 53 -1.535 3.557 9.128 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -2.508 4.652 10.842 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -4.086 4.384 10.128 1.00 0.00 H new ATOM 800 N PHE A 54 -3.990 3.267 12.595 1.00 0.00 N ATOM 801 CA PHE A 54 -4.323 2.355 13.682 1.00 0.00 C ATOM 802 C PHE A 54 -5.704 2.683 14.257 1.00 0.00 C ATOM 803 O PHE A 54 -5.922 3.784 14.761 1.00 0.00 O ATOM 804 CB PHE A 54 -3.264 2.437 14.785 1.00 0.00 C ATOM 805 CG PHE A 54 -2.717 1.098 15.189 1.00 0.00 C ATOM 806 CD1 PHE A 54 -1.789 0.444 14.391 1.00 0.00 C ATOM 807 CD2 PHE A 54 -3.128 0.491 16.365 1.00 0.00 C ATOM 808 CE1 PHE A 54 -1.284 -0.788 14.760 1.00 0.00 C ATOM 809 CE2 PHE A 54 -2.627 -0.741 16.738 1.00 0.00 C ATOM 810 CZ PHE A 54 -1.704 -1.382 15.935 1.00 0.00 C ATOM 0 H PHE A 54 -4.204 4.246 12.786 1.00 0.00 H new ATOM 0 HA PHE A 54 -4.344 1.340 13.285 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -2.443 3.068 14.444 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -3.698 2.923 15.659 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -1.458 0.903 13.471 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -3.849 0.987 16.998 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -0.562 -1.286 14.131 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -2.957 -1.203 17.657 1.00 0.00 H new ATOM 0 HZ PHE A 54 -1.311 -2.345 16.225 1.00 0.00 H new ATOM 820 N PRO A 55 -6.662 1.735 14.191 1.00 0.00 N ATOM 821 CA PRO A 55 -6.454 0.406 13.598 1.00 0.00 C ATOM 822 C PRO A 55 -6.243 0.469 12.085 1.00 0.00 C ATOM 823 O PRO A 55 -6.904 1.241 11.390 1.00 0.00 O ATOM 824 CB PRO A 55 -7.751 -0.340 13.925 1.00 0.00 C ATOM 825 CG PRO A 55 -8.769 0.731 14.103 1.00 0.00 C ATOM 826 CD PRO A 55 -8.036 1.900 14.698 1.00 0.00 C ATOM 0 HA PRO A 55 -5.559 -0.076 13.990 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -8.029 -1.021 13.121 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -7.645 -0.940 14.829 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -9.224 0.999 13.150 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -9.574 0.400 14.759 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -8.470 2.849 14.382 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -8.067 1.882 15.787 1.00 0.00 H new ATOM 834 N PRO A 56 -5.312 -0.345 11.553 1.00 0.00 N ATOM 835 CA PRO A 56 -5.013 -0.376 10.122 1.00 0.00 C ATOM 836 C PRO A 56 -6.266 -0.492 9.268 1.00 0.00 C ATOM 837 O PRO A 56 -7.121 -1.348 9.502 1.00 0.00 O ATOM 838 CB PRO A 56 -4.143 -1.622 9.964 1.00 0.00 C ATOM 839 CG PRO A 56 -3.485 -1.786 11.288 1.00 0.00 C ATOM 840 CD PRO A 56 -4.476 -1.295 12.307 1.00 0.00 C ATOM 0 HA PRO A 56 -4.529 0.543 9.791 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -4.743 -2.495 9.708 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -3.409 -1.495 9.169 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -3.225 -2.829 11.468 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -2.559 -1.213 11.337 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -5.069 -2.113 12.715 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -3.979 -0.811 13.148 1.00 0.00 H new ATOM 848 N LYS A 57 -6.359 0.375 8.274 1.00 0.00 N ATOM 849 CA LYS A 57 -7.500 0.389 7.365 1.00 0.00 C ATOM 850 C LYS A 57 -7.257 -0.542 6.184 1.00 0.00 C ATOM 851 O LYS A 57 -6.182 -1.124 6.052 1.00 0.00 O ATOM 852 CB LYS A 57 -7.756 1.807 6.856 1.00 0.00 C ATOM 853 CG LYS A 57 -8.292 2.750 7.921 1.00 0.00 C ATOM 854 CD LYS A 57 -8.214 4.200 7.470 1.00 0.00 C ATOM 855 CE LYS A 57 -9.558 4.698 6.962 1.00 0.00 C ATOM 856 NZ LYS A 57 -9.575 6.178 6.794 1.00 0.00 N ATOM 0 H LYS A 57 -5.654 1.084 8.073 1.00 0.00 H new ATOM 0 HA LYS A 57 -8.375 0.042 7.914 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -6.827 2.214 6.457 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -8.466 1.765 6.030 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -9.327 2.494 8.148 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -7.722 2.623 8.842 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -7.884 4.823 8.301 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -7.467 4.298 6.682 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -9.785 4.222 6.008 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -10.342 4.403 7.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -10.508 6.477 6.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -9.384 6.633 7.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -8.844 6.458 6.109 1.00 0.00 H new ATOM 870 N GLU A 58 -8.261 -0.676 5.327 1.00 0.00 N ATOM 871 CA GLU A 58 -8.151 -1.534 4.154 1.00 0.00 C ATOM 872 C GLU A 58 -8.150 -0.702 2.876 1.00 0.00 C ATOM 873 O GLU A 58 -9.131 -0.688 2.135 1.00 0.00 O ATOM 874 CB GLU A 58 -9.297 -2.545 4.120 1.00 0.00 C ATOM 875 CG GLU A 58 -8.953 -3.824 3.373 1.00 0.00 C ATOM 876 CD GLU A 58 -10.093 -4.824 3.374 1.00 0.00 C ATOM 877 OE1 GLU A 58 -11.245 -4.412 3.628 1.00 0.00 O ATOM 878 OE2 GLU A 58 -9.833 -6.019 3.119 1.00 0.00 O ATOM 0 H GLU A 58 -9.159 -0.202 5.422 1.00 0.00 H new ATOM 0 HA GLU A 58 -7.207 -2.075 4.218 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -9.581 -2.795 5.142 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -10.166 -2.082 3.652 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -8.690 -3.580 2.344 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -8.074 -4.281 3.827 1.00 0.00 H new ATOM 885 N LEU A 59 -7.039 -0.007 2.633 1.00 0.00 N ATOM 886 CA LEU A 59 -6.887 0.839 1.450 1.00 0.00 C ATOM 887 C LEU A 59 -7.406 0.145 0.198 1.00 0.00 C ATOM 888 O LEU A 59 -6.662 -0.539 -0.505 1.00 0.00 O ATOM 889 CB LEU A 59 -5.418 1.223 1.260 1.00 0.00 C ATOM 890 CG LEU A 59 -5.139 2.223 0.132 1.00 0.00 C ATOM 891 CD1 LEU A 59 -6.231 3.281 0.064 1.00 0.00 C ATOM 892 CD2 LEU A 59 -3.779 2.873 0.327 1.00 0.00 C ATOM 0 H LEU A 59 -6.224 -0.014 3.246 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.480 1.740 1.608 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.046 1.643 2.195 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -4.845 0.316 1.068 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.134 1.680 -0.813 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -6.011 3.979 -0.744 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -7.192 2.801 -0.123 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -6.273 3.822 1.010 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -3.595 3.581 -0.481 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -3.761 3.399 1.281 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -3.005 2.106 0.321 1.00 0.00 H new ATOM 904 N MET A 60 -8.691 0.324 -0.064 1.00 0.00 N ATOM 905 CA MET A 60 -9.334 -0.281 -1.221 1.00 0.00 C ATOM 906 C MET A 60 -8.990 0.471 -2.503 1.00 0.00 C ATOM 907 O MET A 60 -8.661 1.656 -2.471 1.00 0.00 O ATOM 908 CB MET A 60 -10.849 -0.312 -1.023 1.00 0.00 C ATOM 909 CG MET A 60 -11.270 -1.013 0.255 1.00 0.00 C ATOM 910 SD MET A 60 -13.021 -1.442 0.274 1.00 0.00 S ATOM 911 CE MET A 60 -13.223 -1.968 1.973 1.00 0.00 C ATOM 0 H MET A 60 -9.314 0.888 0.514 1.00 0.00 H new ATOM 0 HA MET A 60 -8.962 -1.301 -1.318 1.00 0.00 H new ATOM 0 HB2 MET A 60 -11.228 0.710 -1.011 1.00 0.00 H new ATOM 0 HB3 MET A 60 -11.310 -0.814 -1.874 1.00 0.00 H new ATOM 0 HG2 MET A 60 -10.677 -1.919 0.379 1.00 0.00 H new ATOM 0 HG3 MET A 60 -11.049 -0.369 1.106 1.00 0.00 H new ATOM 0 HE1 MET A 60 -14.108 -2.598 2.056 1.00 0.00 H new ATOM 0 HE2 MET A 60 -12.345 -2.533 2.286 1.00 0.00 H new ATOM 0 HE3 MET A 60 -13.339 -1.094 2.613 1.00 0.00 H new ATOM 921 N PRO A 61 -9.065 -0.218 -3.653 1.00 0.00 N ATOM 922 CA PRO A 61 -8.762 0.380 -4.957 1.00 0.00 C ATOM 923 C PRO A 61 -9.740 1.492 -5.324 1.00 0.00 C ATOM 924 O PRO A 61 -10.947 1.363 -5.113 1.00 0.00 O ATOM 925 CB PRO A 61 -8.891 -0.792 -5.935 1.00 0.00 C ATOM 926 CG PRO A 61 -9.745 -1.792 -5.232 1.00 0.00 C ATOM 927 CD PRO A 61 -9.449 -1.635 -3.770 1.00 0.00 C ATOM 0 HA PRO A 61 -7.778 0.849 -4.968 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -9.347 -0.474 -6.873 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -7.915 -1.210 -6.180 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -10.801 -1.616 -5.437 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -9.519 -2.804 -5.569 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -10.319 -1.868 -3.156 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -8.645 -2.298 -3.449 1.00 0.00 H new ATOM 935 N PRO A 62 -9.232 2.605 -5.882 1.00 0.00 N ATOM 936 CA PRO A 62 -10.069 3.741 -6.277 1.00 0.00 C ATOM 937 C PRO A 62 -10.972 3.415 -7.461 1.00 0.00 C ATOM 938 O PRO A 62 -11.052 2.267 -7.897 1.00 0.00 O ATOM 939 CB PRO A 62 -9.055 4.817 -6.666 1.00 0.00 C ATOM 940 CG PRO A 62 -7.825 4.068 -7.041 1.00 0.00 C ATOM 941 CD PRO A 62 -7.805 2.843 -6.170 1.00 0.00 C ATOM 0 HA PRO A 62 -10.744 4.041 -5.476 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -9.419 5.420 -7.498 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -8.865 5.499 -5.837 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -7.840 3.796 -8.096 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -6.934 4.675 -6.881 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -7.351 1.994 -6.681 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -7.233 3.008 -5.257 1.00 0.00 H new ATOM 949 N GLN A 63 -11.647 4.436 -7.977 1.00 0.00 N ATOM 950 CA GLN A 63 -12.542 4.262 -9.113 1.00 0.00 C ATOM 951 C GLN A 63 -12.325 5.365 -10.146 1.00 0.00 C ATOM 952 O GLN A 63 -11.367 6.132 -10.055 1.00 0.00 O ATOM 953 CB GLN A 63 -14.000 4.259 -8.644 1.00 0.00 C ATOM 954 CG GLN A 63 -14.454 5.588 -8.060 1.00 0.00 C ATOM 955 CD GLN A 63 -15.935 5.603 -7.731 1.00 0.00 C ATOM 956 OE1 GLN A 63 -16.647 6.548 -8.069 1.00 0.00 O ATOM 957 NE2 GLN A 63 -16.404 4.553 -7.066 1.00 0.00 N ATOM 0 H GLN A 63 -11.591 5.392 -7.626 1.00 0.00 H new ATOM 0 HA GLN A 63 -12.319 3.303 -9.581 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -14.643 4.003 -9.486 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -14.130 3.479 -7.894 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -13.882 5.798 -7.156 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -14.235 6.386 -8.769 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -15.776 3.792 -6.806 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -17.392 4.508 -6.815 1.00 0.00 H new ATOM 966 N ALA A 64 -13.219 5.438 -11.128 1.00 0.00 N ATOM 967 CA ALA A 64 -13.123 6.447 -12.178 1.00 0.00 C ATOM 968 C ALA A 64 -13.035 7.851 -11.588 1.00 0.00 C ATOM 969 O ALA A 64 -14.037 8.412 -11.144 1.00 0.00 O ATOM 970 CB ALA A 64 -14.312 6.342 -13.119 1.00 0.00 C ATOM 0 H ALA A 64 -14.018 4.810 -11.218 1.00 0.00 H new ATOM 0 HA ALA A 64 -12.209 6.262 -12.742 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -14.228 7.100 -13.897 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -14.328 5.353 -13.576 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -15.234 6.498 -12.559 1.00 0.00 H new ATOM 976 N GLY A 65 -11.830 8.413 -11.587 1.00 0.00 N ATOM 977 CA GLY A 65 -11.632 9.746 -11.049 1.00 0.00 C ATOM 978 C GLY A 65 -10.661 9.764 -9.885 1.00 0.00 C ATOM 979 O GLY A 65 -10.006 10.773 -9.629 1.00 0.00 O ATOM 0 H GLY A 65 -10.987 7.968 -11.950 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -11.261 10.401 -11.837 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -12.591 10.149 -10.724 1.00 0.00 H new ATOM 983 N MET A 66 -10.569 8.643 -9.177 1.00 0.00 N ATOM 984 CA MET A 66 -9.672 8.531 -8.033 1.00 0.00 C ATOM 985 C MET A 66 -8.404 7.763 -8.401 1.00 0.00 C ATOM 986 O MET A 66 -7.377 7.889 -7.735 1.00 0.00 O ATOM 987 CB MET A 66 -10.383 7.838 -6.868 1.00 0.00 C ATOM 988 CG MET A 66 -10.994 8.806 -5.868 1.00 0.00 C ATOM 989 SD MET A 66 -12.741 8.482 -5.559 1.00 0.00 S ATOM 990 CE MET A 66 -13.396 10.149 -5.539 1.00 0.00 C ATOM 0 H MET A 66 -11.105 7.799 -9.376 1.00 0.00 H new ATOM 0 HA MET A 66 -9.386 9.538 -7.730 1.00 0.00 H new ATOM 0 HB2 MET A 66 -11.168 7.193 -7.264 1.00 0.00 H new ATOM 0 HB3 MET A 66 -9.672 7.194 -6.350 1.00 0.00 H new ATOM 0 HG2 MET A 66 -10.446 8.744 -4.928 1.00 0.00 H new ATOM 0 HG3 MET A 66 -10.878 9.825 -6.238 1.00 0.00 H new ATOM 0 HE1 MET A 66 -14.470 10.116 -5.358 1.00 0.00 H new ATOM 0 HE2 MET A 66 -12.912 10.721 -4.747 1.00 0.00 H new ATOM 0 HE3 MET A 66 -13.205 10.627 -6.500 1.00 0.00 H new ATOM 1000 N GLU A 67 -8.482 6.965 -9.463 1.00 0.00 N ATOM 1001 CA GLU A 67 -7.338 6.179 -9.915 1.00 0.00 C ATOM 1002 C GLU A 67 -6.115 7.064 -10.141 1.00 0.00 C ATOM 1003 O GLU A 67 -4.978 6.595 -10.082 1.00 0.00 O ATOM 1004 CB GLU A 67 -7.685 5.431 -11.203 1.00 0.00 C ATOM 1005 CG GLU A 67 -8.016 6.350 -12.368 1.00 0.00 C ATOM 1006 CD GLU A 67 -8.562 5.599 -13.566 1.00 0.00 C ATOM 1007 OE1 GLU A 67 -7.752 5.140 -14.398 1.00 0.00 O ATOM 1008 OE2 GLU A 67 -9.799 5.470 -13.674 1.00 0.00 O ATOM 0 H GLU A 67 -9.324 6.846 -10.026 1.00 0.00 H new ATOM 0 HA GLU A 67 -7.098 5.457 -9.134 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -6.846 4.793 -11.481 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -8.535 4.775 -11.015 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -8.747 7.091 -12.045 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -7.119 6.894 -12.663 1.00 0.00 H new ATOM 1015 N LYS A 68 -6.355 8.345 -10.405 1.00 0.00 N ATOM 1016 CA LYS A 68 -5.272 9.293 -10.643 1.00 0.00 C ATOM 1017 C LYS A 68 -4.781 9.919 -9.338 1.00 0.00 C ATOM 1018 O LYS A 68 -3.731 10.561 -9.308 1.00 0.00 O ATOM 1019 CB LYS A 68 -5.732 10.391 -11.605 1.00 0.00 C ATOM 1020 CG LYS A 68 -7.058 11.023 -11.214 1.00 0.00 C ATOM 1021 CD LYS A 68 -7.263 12.359 -11.911 1.00 0.00 C ATOM 1022 CE LYS A 68 -7.979 13.352 -11.010 1.00 0.00 C ATOM 1023 NZ LYS A 68 -7.979 14.724 -11.587 1.00 0.00 N ATOM 0 H LYS A 68 -7.290 8.750 -10.459 1.00 0.00 H new ATOM 0 HA LYS A 68 -4.443 8.745 -11.089 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -4.968 11.167 -11.650 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -5.820 9.972 -12.607 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -7.874 10.348 -11.471 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -7.090 11.166 -10.134 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -6.297 12.767 -12.209 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -7.842 12.210 -12.823 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -9.007 13.024 -10.853 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -7.497 13.369 -10.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -8.477 15.371 -10.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -6.999 15.047 -11.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -8.462 14.713 -12.508 1.00 0.00 H new ATOM 1037 N GLU A 69 -5.540 9.731 -8.261 1.00 0.00 N ATOM 1038 CA GLU A 69 -5.177 10.275 -6.966 1.00 0.00 C ATOM 1039 C GLU A 69 -4.106 9.404 -6.305 1.00 0.00 C ATOM 1040 O GLU A 69 -4.161 8.176 -6.382 1.00 0.00 O ATOM 1041 CB GLU A 69 -6.430 10.375 -6.086 1.00 0.00 C ATOM 1042 CG GLU A 69 -6.142 10.429 -4.596 1.00 0.00 C ATOM 1043 CD GLU A 69 -6.794 11.616 -3.914 1.00 0.00 C ATOM 1044 OE1 GLU A 69 -8.036 11.609 -3.769 1.00 0.00 O ATOM 1045 OE2 GLU A 69 -6.066 12.553 -3.527 1.00 0.00 O ATOM 0 H GLU A 69 -6.413 9.203 -8.266 1.00 0.00 H new ATOM 0 HA GLU A 69 -4.760 11.274 -7.094 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -6.989 11.267 -6.369 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -7.073 9.518 -6.290 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -6.494 9.509 -4.129 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -5.064 10.473 -4.440 1.00 0.00 H new ATOM 1052 N PRO A 70 -3.113 10.029 -5.648 1.00 0.00 N ATOM 1053 CA PRO A 70 -2.029 9.302 -4.979 1.00 0.00 C ATOM 1054 C PRO A 70 -2.488 8.612 -3.700 1.00 0.00 C ATOM 1055 O PRO A 70 -3.542 8.931 -3.151 1.00 0.00 O ATOM 1056 CB PRO A 70 -1.014 10.400 -4.658 1.00 0.00 C ATOM 1057 CG PRO A 70 -1.827 11.641 -4.535 1.00 0.00 C ATOM 1058 CD PRO A 70 -2.965 11.492 -5.509 1.00 0.00 C ATOM 0 HA PRO A 70 -1.633 8.501 -5.603 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -0.477 10.185 -3.734 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -0.267 10.492 -5.447 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -2.198 11.765 -3.518 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -1.229 12.523 -4.766 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -3.878 11.953 -5.133 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -2.739 11.965 -6.465 1.00 0.00 H new ATOM 1066 N VAL A 71 -1.685 7.661 -3.234 1.00 0.00 N ATOM 1067 CA VAL A 71 -1.997 6.916 -2.020 1.00 0.00 C ATOM 1068 C VAL A 71 -2.032 7.835 -0.801 1.00 0.00 C ATOM 1069 O VAL A 71 -1.502 8.946 -0.834 1.00 0.00 O ATOM 1070 CB VAL A 71 -0.974 5.788 -1.774 1.00 0.00 C ATOM 1071 CG1 VAL A 71 -1.273 4.592 -2.665 1.00 0.00 C ATOM 1072 CG2 VAL A 71 0.445 6.291 -1.997 1.00 0.00 C ATOM 0 H VAL A 71 -0.810 7.387 -3.681 1.00 0.00 H new ATOM 0 HA VAL A 71 -2.983 6.475 -2.165 1.00 0.00 H new ATOM 0 HB VAL A 71 -1.059 5.467 -0.736 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -0.541 3.806 -2.477 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -2.273 4.216 -2.446 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -1.220 4.895 -3.711 1.00 0.00 H new ATOM 0 HG21 VAL A 71 1.151 5.480 -1.818 1.00 0.00 H new ATOM 0 HG22 VAL A 71 0.549 6.643 -3.023 1.00 0.00 H new ATOM 0 HG23 VAL A 71 0.653 7.111 -1.309 1.00 0.00 H new ATOM 1082 N PRO A 72 -2.662 7.380 0.298 1.00 0.00 N ATOM 1083 CA PRO A 72 -2.768 8.162 1.537 1.00 0.00 C ATOM 1084 C PRO A 72 -1.483 8.145 2.361 1.00 0.00 C ATOM 1085 O PRO A 72 -1.437 8.685 3.465 1.00 0.00 O ATOM 1086 CB PRO A 72 -3.879 7.440 2.294 1.00 0.00 C ATOM 1087 CG PRO A 72 -3.746 6.021 1.868 1.00 0.00 C ATOM 1088 CD PRO A 72 -3.325 6.065 0.424 1.00 0.00 C ATOM 0 HA PRO A 72 -2.961 9.216 1.338 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -3.760 7.545 3.372 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -4.860 7.842 2.041 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -3.007 5.498 2.475 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -4.689 5.488 1.984 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -2.646 5.248 0.179 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -4.180 5.981 -0.246 1.00 0.00 H new ATOM 1096 N LEU A 73 -0.447 7.507 1.827 1.00 0.00 N ATOM 1097 CA LEU A 73 0.829 7.405 2.522 1.00 0.00 C ATOM 1098 C LEU A 73 1.858 8.359 1.927 1.00 0.00 C ATOM 1099 O LEU A 73 1.812 8.678 0.739 1.00 0.00 O ATOM 1100 CB LEU A 73 1.344 5.965 2.457 1.00 0.00 C ATOM 1101 CG LEU A 73 0.258 4.897 2.290 1.00 0.00 C ATOM 1102 CD1 LEU A 73 0.855 3.598 1.779 1.00 0.00 C ATOM 1103 CD2 LEU A 73 -0.475 4.672 3.605 1.00 0.00 C ATOM 0 H LEU A 73 -0.467 7.053 0.914 1.00 0.00 H new ATOM 0 HA LEU A 73 0.674 7.685 3.564 1.00 0.00 H new ATOM 0 HB2 LEU A 73 2.045 5.883 1.626 1.00 0.00 H new ATOM 0 HB3 LEU A 73 1.904 5.754 3.368 1.00 0.00 H new ATOM 0 HG LEU A 73 -0.461 5.252 1.552 1.00 0.00 H new ATOM 0 HD11 LEU A 73 0.066 2.854 1.668 1.00 0.00 H new ATOM 0 HD12 LEU A 73 1.330 3.771 0.813 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.598 3.235 2.489 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -1.243 3.910 3.468 1.00 0.00 H new ATOM 0 HD22 LEU A 73 0.233 4.341 4.364 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -0.941 5.604 3.926 1.00 0.00 H new ATOM 1115 N GLN A 74 2.784 8.816 2.764 1.00 0.00 N ATOM 1116 CA GLN A 74 3.824 9.737 2.330 1.00 0.00 C ATOM 1117 C GLN A 74 5.189 9.320 2.866 1.00 0.00 C ATOM 1118 O GLN A 74 5.313 8.319 3.572 1.00 0.00 O ATOM 1119 CB GLN A 74 3.496 11.155 2.794 1.00 0.00 C ATOM 1120 CG GLN A 74 2.247 11.727 2.147 1.00 0.00 C ATOM 1121 CD GLN A 74 0.980 11.357 2.895 1.00 0.00 C ATOM 1122 OE1 GLN A 74 0.931 11.414 4.123 1.00 0.00 O ATOM 1123 NE2 GLN A 74 -0.054 10.975 2.153 1.00 0.00 N ATOM 0 H GLN A 74 2.834 8.561 3.750 1.00 0.00 H new ATOM 0 HA GLN A 74 3.863 9.712 1.241 1.00 0.00 H new ATOM 0 HB2 GLN A 74 3.368 11.155 3.876 1.00 0.00 H new ATOM 0 HB3 GLN A 74 4.342 11.806 2.573 1.00 0.00 H new ATOM 0 HG2 GLN A 74 2.332 12.813 2.099 1.00 0.00 H new ATOM 0 HG3 GLN A 74 2.177 11.367 1.121 1.00 0.00 H new ATOM 0 HE21 GLN A 74 0.032 10.943 1.137 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -0.933 10.714 2.599 1.00 0.00 H new ATOM 1132 N HIS A 75 6.211 10.098 2.525 1.00 0.00 N ATOM 1133 CA HIS A 75 7.574 9.818 2.965 1.00 0.00 C ATOM 1134 C HIS A 75 7.658 9.737 4.485 1.00 0.00 C ATOM 1135 O HIS A 75 7.559 10.749 5.178 1.00 0.00 O ATOM 1136 CB HIS A 75 8.527 10.899 2.449 1.00 0.00 C ATOM 1137 CG HIS A 75 9.970 10.499 2.484 1.00 0.00 C ATOM 1138 ND1 HIS A 75 10.463 9.520 3.321 1.00 0.00 N ATOM 1139 CD2 HIS A 75 11.031 10.954 1.776 1.00 0.00 C ATOM 1140 CE1 HIS A 75 11.764 9.392 3.128 1.00 0.00 C ATOM 1141 NE2 HIS A 75 12.133 10.250 2.194 1.00 0.00 N ATOM 0 H HIS A 75 6.121 10.931 1.943 1.00 0.00 H new ATOM 0 HA HIS A 75 7.867 8.852 2.555 1.00 0.00 H new ATOM 0 HB2 HIS A 75 8.254 11.152 1.424 1.00 0.00 H new ATOM 0 HB3 HIS A 75 8.395 11.802 3.046 1.00 0.00 H new ATOM 0 HD2 HIS A 75 11.013 11.727 1.022 1.00 0.00 H new ATOM 0 HE1 HIS A 75 12.415 8.703 3.646 1.00 0.00 H new ATOM 0 HE2 HIS A 75 13.082 10.370 1.841 1.00 0.00 H new ATOM 1150 N GLY A 76 7.850 8.525 4.998 1.00 0.00 N ATOM 1151 CA GLY A 76 7.955 8.333 6.432 1.00 0.00 C ATOM 1152 C GLY A 76 6.759 7.614 7.028 1.00 0.00 C ATOM 1153 O GLY A 76 6.652 7.491 8.249 1.00 0.00 O ATOM 0 H GLY A 76 7.935 7.672 4.445 1.00 0.00 H new ATOM 0 HA2 GLY A 76 8.859 7.764 6.651 1.00 0.00 H new ATOM 0 HA3 GLY A 76 8.065 9.304 6.915 1.00 0.00 H new ATOM 1157 N ASP A 77 5.856 7.138 6.176 1.00 0.00 N ATOM 1158 CA ASP A 77 4.670 6.430 6.646 1.00 0.00 C ATOM 1159 C ASP A 77 4.940 4.934 6.775 1.00 0.00 C ATOM 1160 O ASP A 77 6.063 4.474 6.568 1.00 0.00 O ATOM 1161 CB ASP A 77 3.495 6.671 5.694 1.00 0.00 C ATOM 1162 CG ASP A 77 2.289 7.258 6.400 1.00 0.00 C ATOM 1163 OD1 ASP A 77 1.910 6.728 7.465 1.00 0.00 O ATOM 1164 OD2 ASP A 77 1.723 8.247 5.886 1.00 0.00 O ATOM 0 H ASP A 77 5.922 7.229 5.162 1.00 0.00 H new ATOM 0 HA ASP A 77 4.415 6.818 7.632 1.00 0.00 H new ATOM 0 HB2 ASP A 77 3.809 7.345 4.897 1.00 0.00 H new ATOM 0 HB3 ASP A 77 3.214 5.729 5.223 1.00 0.00 H new ATOM 1169 N ARG A 78 3.899 4.181 7.112 1.00 0.00 N ATOM 1170 CA ARG A 78 4.009 2.734 7.262 1.00 0.00 C ATOM 1171 C ARG A 78 2.712 2.059 6.845 1.00 0.00 C ATOM 1172 O ARG A 78 1.633 2.637 6.977 1.00 0.00 O ATOM 1173 CB ARG A 78 4.354 2.370 8.707 1.00 0.00 C ATOM 1174 CG ARG A 78 3.465 3.053 9.736 1.00 0.00 C ATOM 1175 CD ARG A 78 4.279 3.783 10.794 1.00 0.00 C ATOM 1176 NE ARG A 78 4.003 3.280 12.139 1.00 0.00 N ATOM 1177 CZ ARG A 78 4.523 2.158 12.632 1.00 0.00 C ATOM 1178 NH1 ARG A 78 5.346 1.420 11.897 1.00 0.00 N ATOM 1179 NH2 ARG A 78 4.218 1.772 13.863 1.00 0.00 N ATOM 0 H ARG A 78 2.965 4.551 7.287 1.00 0.00 H new ATOM 0 HA ARG A 78 4.811 2.380 6.614 1.00 0.00 H new ATOM 0 HB2 ARG A 78 4.274 1.290 8.830 1.00 0.00 H new ATOM 0 HB3 ARG A 78 5.393 2.637 8.902 1.00 0.00 H new ATOM 0 HG2 ARG A 78 2.805 3.760 9.233 1.00 0.00 H new ATOM 0 HG3 ARG A 78 2.829 2.310 10.216 1.00 0.00 H new ATOM 0 HD2 ARG A 78 5.341 3.671 10.576 1.00 0.00 H new ATOM 0 HD3 ARG A 78 4.055 4.849 10.752 1.00 0.00 H new ATOM 0 HE ARG A 78 3.375 3.820 12.734 1.00 0.00 H new ATOM 0 HH11 ARG A 78 5.583 1.712 10.949 1.00 0.00 H new ATOM 0 HH12 ARG A 78 5.741 0.561 12.280 1.00 0.00 H new ATOM 0 HH21 ARG A 78 3.585 2.335 14.432 1.00 0.00 H new ATOM 0 HH22 ARG A 78 4.616 0.912 14.241 1.00 0.00 H new ATOM 1193 N ILE A 79 2.819 0.843 6.322 1.00 0.00 N ATOM 1194 CA ILE A 79 1.643 0.118 5.872 1.00 0.00 C ATOM 1195 C ILE A 79 1.760 -1.378 6.125 1.00 0.00 C ATOM 1196 O ILE A 79 2.830 -1.887 6.457 1.00 0.00 O ATOM 1197 CB ILE A 79 1.395 0.346 4.370 1.00 0.00 C ATOM 1198 CG1 ILE A 79 2.720 0.409 3.606 1.00 0.00 C ATOM 1199 CG2 ILE A 79 0.594 1.618 4.158 1.00 0.00 C ATOM 1200 CD1 ILE A 79 2.547 0.540 2.107 1.00 0.00 C ATOM 0 H ILE A 79 3.701 0.344 6.201 1.00 0.00 H new ATOM 0 HA ILE A 79 0.804 0.507 6.450 1.00 0.00 H new ATOM 0 HB ILE A 79 0.821 -0.495 3.982 1.00 0.00 H new ATOM 0 HG12 ILE A 79 3.302 1.255 3.972 1.00 0.00 H new ATOM 0 HG13 ILE A 79 3.297 -0.491 3.820 1.00 0.00 H new ATOM 0 HG21 ILE A 79 0.425 1.768 3.092 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -0.365 1.533 4.669 1.00 0.00 H new ATOM 0 HG23 ILE A 79 1.146 2.467 4.561 1.00 0.00 H new ATOM 0 HD11 ILE A 79 3.526 0.579 1.630 1.00 0.00 H new ATOM 0 HD12 ILE A 79 1.993 -0.319 1.728 1.00 0.00 H new ATOM 0 HD13 ILE A 79 1.997 1.454 1.883 1.00 0.00 H new ATOM 1212 N THR A 80 0.641 -2.075 5.955 1.00 0.00 N ATOM 1213 CA THR A 80 0.594 -3.517 6.150 1.00 0.00 C ATOM 1214 C THR A 80 -0.111 -4.187 4.977 1.00 0.00 C ATOM 1215 O THR A 80 -1.187 -3.759 4.560 1.00 0.00 O ATOM 1216 CB THR A 80 -0.127 -3.856 7.453 1.00 0.00 C ATOM 1217 OG1 THR A 80 0.490 -3.213 8.553 1.00 0.00 O ATOM 1218 CG2 THR A 80 -0.161 -5.341 7.748 1.00 0.00 C ATOM 0 H THR A 80 -0.250 -1.660 5.681 1.00 0.00 H new ATOM 0 HA THR A 80 1.617 -3.890 6.207 1.00 0.00 H new ATOM 0 HB THR A 80 -1.150 -3.504 7.316 1.00 0.00 H new ATOM 0 HG1 THR A 80 0.011 -3.443 9.377 1.00 0.00 H new ATOM 0 HG21 THR A 80 -0.687 -5.513 8.687 1.00 0.00 H new ATOM 0 HG22 THR A 80 -0.678 -5.860 6.941 1.00 0.00 H new ATOM 0 HG23 THR A 80 0.858 -5.719 7.828 1.00 0.00 H new ATOM 1226 N ILE A 81 0.504 -5.235 4.444 1.00 0.00 N ATOM 1227 CA ILE A 81 -0.059 -5.958 3.315 1.00 0.00 C ATOM 1228 C ILE A 81 -0.666 -7.284 3.750 1.00 0.00 C ATOM 1229 O ILE A 81 -0.232 -7.889 4.731 1.00 0.00 O ATOM 1230 CB ILE A 81 1.009 -6.222 2.239 1.00 0.00 C ATOM 1231 CG1 ILE A 81 1.677 -4.908 1.836 1.00 0.00 C ATOM 1232 CG2 ILE A 81 0.398 -6.911 1.027 1.00 0.00 C ATOM 1233 CD1 ILE A 81 0.700 -3.847 1.378 1.00 0.00 C ATOM 0 H ILE A 81 1.395 -5.603 4.778 1.00 0.00 H new ATOM 0 HA ILE A 81 -0.845 -5.329 2.897 1.00 0.00 H new ATOM 0 HB ILE A 81 1.766 -6.888 2.654 1.00 0.00 H new ATOM 0 HG12 ILE A 81 2.246 -4.525 2.683 1.00 0.00 H new ATOM 0 HG13 ILE A 81 2.390 -5.103 1.035 1.00 0.00 H new ATOM 0 HG21 ILE A 81 1.172 -7.087 0.280 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -0.037 -7.863 1.331 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -0.379 -6.277 0.601 1.00 0.00 H new ATOM 0 HD11 ILE A 81 1.245 -2.943 1.108 1.00 0.00 H new ATOM 0 HD12 ILE A 81 0.148 -4.210 0.511 1.00 0.00 H new ATOM 0 HD13 ILE A 81 0.002 -3.623 2.185 1.00 0.00 H new ATOM 1245 N GLU A 82 -1.669 -7.737 3.009 1.00 0.00 N ATOM 1246 CA GLU A 82 -2.328 -8.998 3.312 1.00 0.00 C ATOM 1247 C GLU A 82 -2.544 -9.810 2.040 1.00 0.00 C ATOM 1248 O GLU A 82 -3.272 -9.393 1.139 1.00 0.00 O ATOM 1249 CB GLU A 82 -3.663 -8.747 4.024 1.00 0.00 C ATOM 1250 CG GLU A 82 -4.710 -9.827 3.780 1.00 0.00 C ATOM 1251 CD GLU A 82 -6.003 -9.566 4.528 1.00 0.00 C ATOM 1252 OE1 GLU A 82 -5.937 -9.159 5.706 1.00 0.00 O ATOM 1253 OE2 GLU A 82 -7.083 -9.769 3.933 1.00 0.00 O ATOM 0 H GLU A 82 -2.043 -7.250 2.195 1.00 0.00 H new ATOM 0 HA GLU A 82 -1.684 -9.572 3.978 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -3.482 -8.667 5.096 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -4.063 -7.787 3.696 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -4.919 -9.890 2.712 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -4.307 -10.793 4.084 1.00 0.00 H new ATOM 1260 N ILE A 83 -1.909 -10.970 1.980 1.00 0.00 N ATOM 1261 CA ILE A 83 -2.028 -11.848 0.829 1.00 0.00 C ATOM 1262 C ILE A 83 -3.460 -12.333 0.647 1.00 0.00 C ATOM 1263 O ILE A 83 -3.958 -13.142 1.430 1.00 0.00 O ATOM 1264 CB ILE A 83 -1.106 -13.067 0.964 1.00 0.00 C ATOM 1265 CG1 ILE A 83 0.331 -12.604 1.202 1.00 0.00 C ATOM 1266 CG2 ILE A 83 -1.201 -13.942 -0.280 1.00 0.00 C ATOM 1267 CD1 ILE A 83 0.728 -12.595 2.664 1.00 0.00 C ATOM 0 H ILE A 83 -1.303 -11.326 2.720 1.00 0.00 H new ATOM 0 HA ILE A 83 -1.733 -11.265 -0.043 1.00 0.00 H new ATOM 0 HB ILE A 83 -1.422 -13.665 1.819 1.00 0.00 H new ATOM 0 HG12 ILE A 83 1.010 -13.256 0.653 1.00 0.00 H new ATOM 0 HG13 ILE A 83 0.453 -11.601 0.794 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -0.542 -14.803 -0.170 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -2.228 -14.285 -0.406 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -0.901 -13.365 -1.155 1.00 0.00 H new ATOM 0 HD11 ILE A 83 1.760 -12.256 2.759 1.00 0.00 H new ATOM 0 HD12 ILE A 83 0.072 -11.921 3.215 1.00 0.00 H new ATOM 0 HD13 ILE A 83 0.638 -13.602 3.072 1.00 0.00 H new ATOM 1279 N LEU A 84 -4.113 -11.839 -0.394 1.00 0.00 N ATOM 1280 CA LEU A 84 -5.486 -12.229 -0.684 1.00 0.00 C ATOM 1281 C LEU A 84 -5.532 -13.648 -1.242 1.00 0.00 C ATOM 1282 O LEU A 84 -4.500 -14.224 -1.587 1.00 0.00 O ATOM 1283 CB LEU A 84 -6.119 -11.252 -1.676 1.00 0.00 C ATOM 1284 CG LEU A 84 -5.992 -9.774 -1.299 1.00 0.00 C ATOM 1285 CD1 LEU A 84 -6.793 -8.908 -2.258 1.00 0.00 C ATOM 1286 CD2 LEU A 84 -6.448 -9.547 0.136 1.00 0.00 C ATOM 0 H LEU A 84 -3.716 -11.168 -1.052 1.00 0.00 H new ATOM 0 HA LEU A 84 -6.055 -12.202 0.246 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -5.661 -11.403 -2.654 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -7.176 -11.496 -1.778 1.00 0.00 H new ATOM 0 HG LEU A 84 -4.943 -9.489 -1.374 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -6.691 -7.861 -1.974 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -6.420 -9.047 -3.273 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -7.844 -9.194 -2.216 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -6.350 -8.491 0.386 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -7.490 -9.850 0.239 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -5.830 -10.138 0.812 1.00 0.00 H new ATOM 1298 N LYS A 85 -6.734 -14.208 -1.325 1.00 0.00 N ATOM 1299 CA LYS A 85 -6.915 -15.558 -1.837 1.00 0.00 C ATOM 1300 C LYS A 85 -7.206 -15.538 -3.333 1.00 0.00 C ATOM 1301 O LYS A 85 -8.343 -15.328 -3.754 1.00 0.00 O ATOM 1302 CB LYS A 85 -8.052 -16.261 -1.092 1.00 0.00 C ATOM 1303 CG LYS A 85 -7.705 -17.671 -0.645 1.00 0.00 C ATOM 1304 CD LYS A 85 -6.735 -17.663 0.526 1.00 0.00 C ATOM 1305 CE LYS A 85 -5.643 -18.707 0.353 1.00 0.00 C ATOM 1306 NZ LYS A 85 -4.964 -19.019 1.641 1.00 0.00 N ATOM 0 H LYS A 85 -7.598 -13.745 -1.043 1.00 0.00 H new ATOM 0 HA LYS A 85 -5.989 -16.109 -1.674 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -8.324 -15.668 -0.219 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -8.930 -16.299 -1.737 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -8.616 -18.198 -0.360 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -7.266 -18.220 -1.478 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -6.284 -16.675 0.619 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -7.279 -17.854 1.451 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -6.075 -19.619 -0.060 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -4.908 -18.348 -0.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -4.227 -19.735 1.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -4.530 -18.154 2.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -5.660 -19.386 2.321 1.00 0.00 H new ATOM 1320 N GLY A 86 -6.168 -15.758 -4.127 1.00 0.00 N ATOM 1321 CA GLY A 86 -6.322 -15.764 -5.570 1.00 0.00 C ATOM 1322 C GLY A 86 -6.766 -17.112 -6.102 1.00 0.00 C ATOM 1323 O GLY A 86 -7.644 -17.739 -5.473 1.00 0.00 O ATOM 1324 OXT GLY A 86 -6.237 -17.541 -7.148 1.00 0.00 O ATOM 0 H GLY A 86 -5.219 -15.933 -3.798 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -7.051 -15.006 -5.857 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -5.375 -15.488 -6.034 1.00 0.00 H new TER 1328 GLY A 86