USER MOD reduce.3.24.130724 H: found=0, std=0, add=623, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 623 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 Single : A 2 ASN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0267) USER MOD Single : A 14 ASN : amide:sc= -6.11! C(o=-6.1!,f=-5.7!) USER MOD Single : A 17 LYS NZ :NH3+ -119:sc= -5.19! (180deg=-9.7!) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ -128:sc= -4.36! (180deg=-7.32!) USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.625 USER MOD Single : A 27 SER OG : rot 170:sc= 0 USER MOD Single : A 28 HIS : no HD1:sc= -6.92! C(o=-6.9!,f=-5.5!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= -18! C(o=-18!,f=-9.3!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -3.8! K(o=-3.8!,f=-0.95) USER MOD Single : A 58 HIS : no HD1:sc= -0.955! K(o=-0.95!,f=-0.13) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= -13.5! C(o=-13!,f=-11!) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot -100:sc= -3.06! USER MOD Single : A 75 GLN : amide:sc= -1.53! C(o=-1.5!,f=-1.7!) USER MOD Single : A 76 ASN : amide:sc= 0.00112 X(o=0.0011,f=-0.17) USER MOD Single : A 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 20 N ASN A 2 -2.691 -7.824 12.314 1.00 0.00 N ATOM 21 CA ASN A 2 -2.028 -6.630 12.825 1.00 0.00 C ATOM 22 C ASN A 2 -0.771 -6.320 12.024 1.00 0.00 C ATOM 23 O ASN A 2 -0.386 -5.163 11.872 1.00 0.00 O ATOM 24 CB ASN A 2 -1.671 -6.803 14.302 1.00 0.00 C ATOM 25 CG ASN A 2 -2.888 -7.077 15.163 1.00 0.00 C ATOM 26 OD1 ASN A 2 -3.940 -6.465 14.983 1.00 0.00 O ATOM 27 ND2 ASN A 2 -2.748 -7.999 16.108 1.00 0.00 N ATOM 0 HA ASN A 2 -2.721 -5.795 12.723 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -0.962 -7.624 14.408 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -1.171 -5.903 14.660 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -3.532 -8.225 16.721 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -1.857 -8.482 16.221 1.00 0.00 H new ATOM 34 N ASP A 3 -0.131 -7.366 11.525 1.00 0.00 N ATOM 35 CA ASP A 3 1.093 -7.219 10.748 1.00 0.00 C ATOM 36 C ASP A 3 0.896 -6.300 9.546 1.00 0.00 C ATOM 37 O ASP A 3 1.828 -5.624 9.112 1.00 0.00 O ATOM 38 CB ASP A 3 1.586 -8.588 10.278 1.00 0.00 C ATOM 39 CG ASP A 3 1.035 -8.966 8.917 1.00 0.00 C ATOM 40 OD1 ASP A 3 1.100 -8.123 7.996 1.00 0.00 O ATOM 41 OD2 ASP A 3 0.538 -10.102 8.771 1.00 0.00 O ATOM 0 H ASP A 3 -0.440 -8.331 11.644 1.00 0.00 H new ATOM 0 HA ASP A 3 1.841 -6.764 11.398 1.00 0.00 H new ATOM 0 HB2 ASP A 3 2.675 -8.584 10.237 1.00 0.00 H new ATOM 0 HB3 ASP A 3 1.297 -9.345 11.007 1.00 0.00 H new ATOM 46 N VAL A 4 -0.313 -6.292 9.001 1.00 0.00 N ATOM 47 CA VAL A 4 -0.614 -5.469 7.835 1.00 0.00 C ATOM 48 C VAL A 4 -0.669 -3.979 8.171 1.00 0.00 C ATOM 49 O VAL A 4 0.044 -3.180 7.573 1.00 0.00 O ATOM 50 CB VAL A 4 -1.947 -5.886 7.190 1.00 0.00 C ATOM 51 CG1 VAL A 4 -2.883 -4.695 7.062 1.00 0.00 C ATOM 52 CG2 VAL A 4 -1.705 -6.531 5.833 1.00 0.00 C ATOM 0 H VAL A 4 -1.099 -6.843 9.345 1.00 0.00 H new ATOM 0 HA VAL A 4 0.202 -5.633 7.131 1.00 0.00 H new ATOM 0 HB VAL A 4 -2.424 -6.621 7.838 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -3.819 -5.015 6.603 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -3.086 -4.284 8.051 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -2.417 -3.931 6.440 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -2.659 -6.819 5.392 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -1.202 -5.821 5.177 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -1.080 -7.416 5.957 1.00 0.00 H new ATOM 62 N LEU A 5 -1.519 -3.609 9.123 1.00 0.00 N ATOM 63 CA LEU A 5 -1.657 -2.212 9.523 1.00 0.00 C ATOM 64 C LEU A 5 -0.407 -1.707 10.232 1.00 0.00 C ATOM 65 O LEU A 5 -0.043 -0.542 10.114 1.00 0.00 O ATOM 66 CB LEU A 5 -2.901 -2.002 10.398 1.00 0.00 C ATOM 67 CG LEU A 5 -2.966 -2.819 11.688 1.00 0.00 C ATOM 68 CD1 LEU A 5 -3.196 -4.282 11.368 1.00 0.00 C ATOM 69 CD2 LEU A 5 -1.704 -2.632 12.517 1.00 0.00 C ATOM 0 H LEU A 5 -2.122 -4.255 9.632 1.00 0.00 H new ATOM 0 HA LEU A 5 -1.783 -1.627 8.612 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -2.962 -0.945 10.659 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -3.783 -2.234 9.801 1.00 0.00 H new ATOM 0 HG LEU A 5 -3.806 -2.460 12.283 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -3.241 -4.854 12.295 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -4.136 -4.393 10.827 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -2.377 -4.653 10.752 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -1.777 -3.224 13.429 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -0.838 -2.958 11.941 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -1.592 -1.579 12.776 1.00 0.00 H new ATOM 81 N THR A 6 0.235 -2.588 10.981 1.00 0.00 N ATOM 82 CA THR A 6 1.436 -2.227 11.726 1.00 0.00 C ATOM 83 C THR A 6 2.573 -1.822 10.794 1.00 0.00 C ATOM 84 O THR A 6 3.174 -0.760 10.950 1.00 0.00 O ATOM 85 CB THR A 6 1.881 -3.391 12.611 1.00 0.00 C ATOM 86 OG1 THR A 6 3.157 -3.137 13.170 1.00 0.00 O ATOM 87 CG2 THR A 6 1.958 -4.704 11.868 1.00 0.00 C ATOM 0 H THR A 6 -0.053 -3.560 11.091 1.00 0.00 H new ATOM 0 HA THR A 6 1.190 -1.369 12.352 1.00 0.00 H new ATOM 0 HB THR A 6 1.121 -3.473 13.388 1.00 0.00 H new ATOM 0 HG1 THR A 6 3.423 -3.893 13.734 1.00 0.00 H new ATOM 0 HG21 THR A 6 2.279 -5.490 12.551 1.00 0.00 H new ATOM 0 HG22 THR A 6 0.976 -4.952 11.465 1.00 0.00 H new ATOM 0 HG23 THR A 6 2.674 -4.618 11.051 1.00 0.00 H new ATOM 95 N ARG A 7 2.863 -2.682 9.830 1.00 0.00 N ATOM 96 CA ARG A 7 3.925 -2.435 8.872 1.00 0.00 C ATOM 97 C ARG A 7 3.482 -1.436 7.817 1.00 0.00 C ATOM 98 O ARG A 7 4.183 -0.469 7.524 1.00 0.00 O ATOM 99 CB ARG A 7 4.352 -3.745 8.205 1.00 0.00 C ATOM 100 CG ARG A 7 5.367 -3.559 7.089 1.00 0.00 C ATOM 101 CD ARG A 7 4.798 -2.727 5.950 1.00 0.00 C ATOM 102 NE ARG A 7 5.468 -3.006 4.682 1.00 0.00 N ATOM 103 CZ ARG A 7 6.624 -2.457 4.324 1.00 0.00 C ATOM 104 NH1 ARG A 7 7.236 -1.606 5.136 1.00 0.00 N ATOM 105 NH2 ARG A 7 7.169 -2.759 3.155 1.00 0.00 N ATOM 0 H ARG A 7 2.371 -3.565 9.691 1.00 0.00 H new ATOM 0 HA ARG A 7 4.775 -2.014 9.409 1.00 0.00 H new ATOM 0 HB2 ARG A 7 4.774 -4.407 8.961 1.00 0.00 H new ATOM 0 HB3 ARG A 7 3.469 -4.242 7.803 1.00 0.00 H new ATOM 0 HG2 ARG A 7 6.259 -3.074 7.485 1.00 0.00 H new ATOM 0 HG3 ARG A 7 5.675 -4.533 6.710 1.00 0.00 H new ATOM 0 HD2 ARG A 7 3.732 -2.931 5.849 1.00 0.00 H new ATOM 0 HD3 ARG A 7 4.899 -1.668 6.188 1.00 0.00 H new ATOM 0 HE ARG A 7 5.024 -3.658 4.036 1.00 0.00 H new ATOM 0 HH11 ARG A 7 6.820 -1.372 6.037 1.00 0.00 H new ATOM 0 HH12 ARG A 7 8.123 -1.186 4.859 1.00 0.00 H new ATOM 0 HH21 ARG A 7 6.701 -3.414 2.528 1.00 0.00 H new ATOM 0 HH22 ARG A 7 8.056 -2.337 2.882 1.00 0.00 H new ATOM 119 N VAL A 8 2.312 -1.683 7.244 1.00 0.00 N ATOM 120 CA VAL A 8 1.769 -0.815 6.214 1.00 0.00 C ATOM 121 C VAL A 8 1.556 0.600 6.737 1.00 0.00 C ATOM 122 O VAL A 8 1.990 1.572 6.119 1.00 0.00 O ATOM 123 CB VAL A 8 0.435 -1.355 5.669 1.00 0.00 C ATOM 124 CG1 VAL A 8 -0.740 -0.678 6.357 1.00 0.00 C ATOM 125 CG2 VAL A 8 0.360 -1.168 4.163 1.00 0.00 C ATOM 0 H VAL A 8 1.721 -2.481 7.478 1.00 0.00 H new ATOM 0 HA VAL A 8 2.501 -0.792 5.406 1.00 0.00 H new ATOM 0 HB VAL A 8 0.383 -2.422 5.883 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -1.673 -1.074 5.957 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -0.694 -0.870 7.429 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -0.696 0.396 6.179 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -0.590 -1.556 3.795 1.00 0.00 H new ATOM 0 HG22 VAL A 8 0.436 -0.107 3.924 1.00 0.00 H new ATOM 0 HG23 VAL A 8 1.180 -1.707 3.688 1.00 0.00 H new ATOM 135 N LEU A 9 0.887 0.710 7.879 1.00 0.00 N ATOM 136 CA LEU A 9 0.620 2.011 8.484 1.00 0.00 C ATOM 137 C LEU A 9 1.919 2.768 8.739 1.00 0.00 C ATOM 138 O LEU A 9 2.017 3.964 8.462 1.00 0.00 O ATOM 139 CB LEU A 9 -0.149 1.845 9.796 1.00 0.00 C ATOM 140 CG LEU A 9 0.713 1.500 11.012 1.00 0.00 C ATOM 141 CD1 LEU A 9 1.493 2.721 11.476 1.00 0.00 C ATOM 142 CD2 LEU A 9 -0.151 0.956 12.139 1.00 0.00 C ATOM 0 H LEU A 9 0.520 -0.084 8.404 1.00 0.00 H new ATOM 0 HA LEU A 9 0.012 2.587 7.786 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -0.689 2.769 10.003 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -0.896 1.062 9.665 1.00 0.00 H new ATOM 0 HG LEU A 9 1.426 0.728 10.723 1.00 0.00 H new ATOM 0 HD11 LEU A 9 2.101 2.457 12.342 1.00 0.00 H new ATOM 0 HD12 LEU A 9 2.140 3.067 10.670 1.00 0.00 H new ATOM 0 HD13 LEU A 9 0.798 3.515 11.749 1.00 0.00 H new ATOM 0 HD21 LEU A 9 0.478 0.716 12.996 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -0.887 1.706 12.428 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -0.664 0.055 11.802 1.00 0.00 H new ATOM 154 N GLU A 10 2.912 2.066 9.274 1.00 0.00 N ATOM 155 CA GLU A 10 4.204 2.673 9.571 1.00 0.00 C ATOM 156 C GLU A 10 4.891 3.156 8.299 1.00 0.00 C ATOM 157 O GLU A 10 5.600 4.163 8.307 1.00 0.00 O ATOM 158 CB GLU A 10 5.103 1.678 10.306 1.00 0.00 C ATOM 159 CG GLU A 10 5.467 0.458 9.475 1.00 0.00 C ATOM 160 CD GLU A 10 6.847 -0.079 9.801 1.00 0.00 C ATOM 161 OE1 GLU A 10 7.571 0.578 10.577 1.00 0.00 O ATOM 162 OE2 GLU A 10 7.202 -1.157 9.280 1.00 0.00 O ATOM 0 H GLU A 10 2.847 1.076 9.511 1.00 0.00 H new ATOM 0 HA GLU A 10 4.028 3.536 10.213 1.00 0.00 H new ATOM 0 HB2 GLU A 10 6.018 2.185 10.612 1.00 0.00 H new ATOM 0 HB3 GLU A 10 4.600 1.351 11.216 1.00 0.00 H new ATOM 0 HG2 GLU A 10 4.728 -0.325 9.643 1.00 0.00 H new ATOM 0 HG3 GLU A 10 5.423 0.717 8.417 1.00 0.00 H new ATOM 169 N VAL A 11 4.679 2.430 7.212 1.00 0.00 N ATOM 170 CA VAL A 11 5.281 2.779 5.931 1.00 0.00 C ATOM 171 C VAL A 11 4.792 4.129 5.431 1.00 0.00 C ATOM 172 O VAL A 11 5.578 4.958 4.976 1.00 0.00 O ATOM 173 CB VAL A 11 4.996 1.723 4.865 1.00 0.00 C ATOM 174 CG1 VAL A 11 5.949 1.878 3.690 1.00 0.00 C ATOM 175 CG2 VAL A 11 5.082 0.325 5.453 1.00 0.00 C ATOM 0 H VAL A 11 4.094 1.594 7.190 1.00 0.00 H new ATOM 0 HA VAL A 11 6.356 2.829 6.104 1.00 0.00 H new ATOM 0 HB VAL A 11 3.980 1.871 4.500 1.00 0.00 H new ATOM 0 HG11 VAL A 11 5.730 1.117 2.941 1.00 0.00 H new ATOM 0 HG12 VAL A 11 5.825 2.867 3.249 1.00 0.00 H new ATOM 0 HG13 VAL A 11 6.976 1.761 4.037 1.00 0.00 H new ATOM 0 HG21 VAL A 11 4.875 -0.410 4.675 1.00 0.00 H new ATOM 0 HG22 VAL A 11 6.083 0.159 5.852 1.00 0.00 H new ATOM 0 HG23 VAL A 11 4.350 0.221 6.254 1.00 0.00 H new ATOM 185 N VAL A 12 3.488 4.339 5.516 1.00 0.00 N ATOM 186 CA VAL A 12 2.885 5.590 5.071 1.00 0.00 C ATOM 187 C VAL A 12 3.252 6.741 6.002 1.00 0.00 C ATOM 188 O VAL A 12 3.675 7.807 5.554 1.00 0.00 O ATOM 189 CB VAL A 12 1.349 5.479 4.988 1.00 0.00 C ATOM 190 CG1 VAL A 12 0.861 4.227 5.700 1.00 0.00 C ATOM 191 CG2 VAL A 12 0.690 6.721 5.569 1.00 0.00 C ATOM 0 H VAL A 12 2.824 3.660 5.889 1.00 0.00 H new ATOM 0 HA VAL A 12 3.280 5.792 4.075 1.00 0.00 H new ATOM 0 HB VAL A 12 1.068 5.403 3.938 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -0.225 4.168 5.629 1.00 0.00 H new ATOM 0 HG12 VAL A 12 1.303 3.347 5.233 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.155 4.267 6.749 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.394 6.623 5.501 1.00 0.00 H new ATOM 0 HG22 VAL A 12 0.980 6.832 6.614 1.00 0.00 H new ATOM 0 HG23 VAL A 12 1.011 7.599 5.009 1.00 0.00 H new ATOM 201 N LYS A 13 3.082 6.518 7.301 1.00 0.00 N ATOM 202 CA LYS A 13 3.389 7.535 8.300 1.00 0.00 C ATOM 203 C LYS A 13 4.854 7.957 8.233 1.00 0.00 C ATOM 204 O LYS A 13 5.165 9.147 8.204 1.00 0.00 O ATOM 205 CB LYS A 13 3.062 7.013 9.700 1.00 0.00 C ATOM 206 CG LYS A 13 4.230 6.314 10.376 1.00 0.00 C ATOM 207 CD LYS A 13 4.019 6.204 11.877 1.00 0.00 C ATOM 208 CE LYS A 13 3.709 7.557 12.497 1.00 0.00 C ATOM 209 NZ LYS A 13 4.824 8.525 12.301 1.00 0.00 N ATOM 0 H LYS A 13 2.733 5.641 7.687 1.00 0.00 H new ATOM 0 HA LYS A 13 2.774 8.409 8.086 1.00 0.00 H new ATOM 0 HB2 LYS A 13 2.738 7.847 10.323 1.00 0.00 H new ATOM 0 HB3 LYS A 13 2.223 6.320 9.634 1.00 0.00 H new ATOM 0 HG2 LYS A 13 4.355 5.318 9.951 1.00 0.00 H new ATOM 0 HG3 LYS A 13 5.150 6.864 10.176 1.00 0.00 H new ATOM 0 HD2 LYS A 13 3.201 5.513 12.081 1.00 0.00 H new ATOM 0 HD3 LYS A 13 4.912 5.786 12.341 1.00 0.00 H new ATOM 0 HE2 LYS A 13 2.797 7.959 12.055 1.00 0.00 H new ATOM 0 HE3 LYS A 13 3.519 7.433 13.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 4.611 9.407 12.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 5.707 8.117 12.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 4.933 8.728 11.287 1.00 0.00 H new ATOM 223 N ASN A 14 5.750 6.975 8.213 1.00 0.00 N ATOM 224 CA ASN A 14 7.177 7.247 8.157 1.00 0.00 C ATOM 225 C ASN A 14 7.640 7.477 6.722 1.00 0.00 C ATOM 226 O ASN A 14 8.810 7.768 6.478 1.00 0.00 O ATOM 227 CB ASN A 14 7.963 6.090 8.778 1.00 0.00 C ATOM 228 CG ASN A 14 7.348 5.604 10.075 1.00 0.00 C ATOM 229 OD1 ASN A 14 7.236 6.356 11.043 1.00 0.00 O ATOM 230 ND2 ASN A 14 6.946 4.338 10.102 1.00 0.00 N ATOM 0 H ASN A 14 5.510 5.984 8.235 1.00 0.00 H new ATOM 0 HA ASN A 14 7.366 8.157 8.727 1.00 0.00 H new ATOM 0 HB2 ASN A 14 8.009 5.264 8.069 1.00 0.00 H new ATOM 0 HB3 ASN A 14 8.989 6.409 8.963 1.00 0.00 H new ATOM 0 HD21 ASN A 14 6.525 3.954 10.948 1.00 0.00 H new ATOM 0 HD22 ASN A 14 7.058 3.750 9.276 1.00 0.00 H new ATOM 237 N PHE A 15 6.716 7.344 5.778 1.00 0.00 N ATOM 238 CA PHE A 15 7.033 7.535 4.369 1.00 0.00 C ATOM 239 C PHE A 15 7.359 8.994 4.078 1.00 0.00 C ATOM 240 O PHE A 15 8.229 9.295 3.261 1.00 0.00 O ATOM 241 CB PHE A 15 5.870 7.065 3.494 1.00 0.00 C ATOM 242 CG PHE A 15 6.205 5.878 2.637 1.00 0.00 C ATOM 243 CD1 PHE A 15 7.245 5.029 2.980 1.00 0.00 C ATOM 244 CD2 PHE A 15 5.478 5.610 1.487 1.00 0.00 C ATOM 245 CE1 PHE A 15 7.555 3.936 2.194 1.00 0.00 C ATOM 246 CE2 PHE A 15 5.783 4.518 0.697 1.00 0.00 C ATOM 247 CZ PHE A 15 6.823 3.681 1.050 1.00 0.00 C ATOM 0 H PHE A 15 5.742 7.105 5.963 1.00 0.00 H new ATOM 0 HA PHE A 15 7.913 6.936 4.134 1.00 0.00 H new ATOM 0 HB2 PHE A 15 5.023 6.814 4.133 1.00 0.00 H new ATOM 0 HB3 PHE A 15 5.553 7.888 2.853 1.00 0.00 H new ATOM 0 HD1 PHE A 15 7.820 5.224 3.873 1.00 0.00 H new ATOM 0 HD2 PHE A 15 4.664 6.262 1.206 1.00 0.00 H new ATOM 0 HE1 PHE A 15 8.368 3.282 2.473 1.00 0.00 H new ATOM 0 HE2 PHE A 15 5.208 4.319 -0.196 1.00 0.00 H new ATOM 0 HZ PHE A 15 7.064 2.828 0.433 1.00 0.00 H new ATOM 257 N GLU A 16 6.660 9.891 4.761 1.00 0.00 N ATOM 258 CA GLU A 16 6.869 11.329 4.597 1.00 0.00 C ATOM 259 C GLU A 16 5.591 12.032 4.147 1.00 0.00 C ATOM 260 O GLU A 16 5.525 13.261 4.125 1.00 0.00 O ATOM 261 CB GLU A 16 7.996 11.604 3.597 1.00 0.00 C ATOM 262 CG GLU A 16 7.631 11.304 2.150 1.00 0.00 C ATOM 263 CD GLU A 16 6.217 10.783 1.993 1.00 0.00 C ATOM 264 OE1 GLU A 16 6.010 9.566 2.176 1.00 0.00 O ATOM 265 OE2 GLU A 16 5.317 11.591 1.684 1.00 0.00 O ATOM 0 H GLU A 16 5.938 9.649 5.439 1.00 0.00 H new ATOM 0 HA GLU A 16 7.154 11.729 5.570 1.00 0.00 H new ATOM 0 HB2 GLU A 16 8.290 12.651 3.677 1.00 0.00 H new ATOM 0 HB3 GLU A 16 8.865 11.007 3.872 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.746 12.211 1.556 1.00 0.00 H new ATOM 0 HG3 GLU A 16 8.330 10.570 1.749 1.00 0.00 H new ATOM 272 N LYS A 17 4.580 11.250 3.785 1.00 0.00 N ATOM 273 CA LYS A 17 3.312 11.808 3.335 1.00 0.00 C ATOM 274 C LYS A 17 2.616 12.568 4.460 1.00 0.00 C ATOM 275 O LYS A 17 1.979 13.594 4.226 1.00 0.00 O ATOM 276 CB LYS A 17 2.398 10.703 2.804 1.00 0.00 C ATOM 277 CG LYS A 17 2.581 9.370 3.505 1.00 0.00 C ATOM 278 CD LYS A 17 3.289 8.376 2.605 1.00 0.00 C ATOM 279 CE LYS A 17 2.302 7.595 1.753 1.00 0.00 C ATOM 280 NZ LYS A 17 2.664 6.153 1.664 1.00 0.00 N ATOM 0 H LYS A 17 4.614 10.231 3.795 1.00 0.00 H new ATOM 0 HA LYS A 17 3.524 12.509 2.528 1.00 0.00 H new ATOM 0 HB2 LYS A 17 1.360 11.020 2.910 1.00 0.00 H new ATOM 0 HB3 LYS A 17 2.584 10.571 1.738 1.00 0.00 H new ATOM 0 HG2 LYS A 17 3.157 9.512 4.420 1.00 0.00 H new ATOM 0 HG3 LYS A 17 1.609 8.973 3.798 1.00 0.00 H new ATOM 0 HD2 LYS A 17 3.991 8.904 1.959 1.00 0.00 H new ATOM 0 HD3 LYS A 17 3.873 7.685 3.213 1.00 0.00 H new ATOM 0 HE2 LYS A 17 1.302 7.693 2.175 1.00 0.00 H new ATOM 0 HE3 LYS A 17 2.269 8.023 0.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 2.843 5.901 0.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 3.521 5.975 2.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 1.882 5.575 2.033 1.00 0.00 H new ATOM 294 N VAL A 18 2.745 12.059 5.682 1.00 0.00 N ATOM 295 CA VAL A 18 2.129 12.696 6.839 1.00 0.00 C ATOM 296 C VAL A 18 2.341 11.869 8.102 1.00 0.00 C ATOM 297 O VAL A 18 2.312 10.638 8.064 1.00 0.00 O ATOM 298 CB VAL A 18 0.619 12.906 6.626 1.00 0.00 C ATOM 299 CG1 VAL A 18 0.351 14.268 6.003 1.00 0.00 C ATOM 300 CG2 VAL A 18 0.041 11.795 5.764 1.00 0.00 C ATOM 0 H VAL A 18 3.269 11.210 5.895 1.00 0.00 H new ATOM 0 HA VAL A 18 2.611 13.666 6.958 1.00 0.00 H new ATOM 0 HB VAL A 18 0.127 12.874 7.598 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.722 14.398 5.860 1.00 0.00 H new ATOM 0 HG12 VAL A 18 0.727 15.050 6.663 1.00 0.00 H new ATOM 0 HG13 VAL A 18 0.856 14.333 5.039 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -1.027 11.961 5.625 1.00 0.00 H new ATOM 0 HG22 VAL A 18 0.537 11.792 4.794 1.00 0.00 H new ATOM 0 HG23 VAL A 18 0.198 10.835 6.255 1.00 0.00 H new ATOM 310 N ASP A 19 2.552 12.553 9.222 1.00 0.00 N ATOM 311 CA ASP A 19 2.768 11.886 10.497 1.00 0.00 C ATOM 312 C ASP A 19 1.462 11.313 11.038 1.00 0.00 C ATOM 313 O ASP A 19 0.390 11.878 10.827 1.00 0.00 O ATOM 314 CB ASP A 19 3.369 12.861 11.511 1.00 0.00 C ATOM 315 CG ASP A 19 4.756 13.326 11.112 1.00 0.00 C ATOM 316 OD1 ASP A 19 4.974 13.581 9.908 1.00 0.00 O ATOM 317 OD2 ASP A 19 5.624 13.437 12.003 1.00 0.00 O ATOM 0 H ASP A 19 2.578 13.572 9.270 1.00 0.00 H new ATOM 0 HA ASP A 19 3.466 11.064 10.336 1.00 0.00 H new ATOM 0 HB2 ASP A 19 2.714 13.726 11.612 1.00 0.00 H new ATOM 0 HB3 ASP A 19 3.417 12.381 12.489 1.00 0.00 H new ATOM 322 N ALA A 20 1.560 10.187 11.737 1.00 0.00 N ATOM 323 CA ALA A 20 0.387 9.539 12.309 1.00 0.00 C ATOM 324 C ALA A 20 -0.300 10.445 13.325 1.00 0.00 C ATOM 325 O ALA A 20 -1.461 10.235 13.675 1.00 0.00 O ATOM 326 CB ALA A 20 0.774 8.218 12.955 1.00 0.00 C ATOM 0 H ALA A 20 2.440 9.705 11.921 1.00 0.00 H new ATOM 0 HA ALA A 20 -0.317 9.342 11.501 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -0.113 7.746 13.378 1.00 0.00 H new ATOM 0 HB2 ALA A 20 1.212 7.560 12.204 1.00 0.00 H new ATOM 0 HB3 ALA A 20 1.501 8.399 13.747 1.00 0.00 H new ATOM 332 N SER A 21 0.428 11.451 13.797 1.00 0.00 N ATOM 333 CA SER A 21 -0.108 12.389 14.775 1.00 0.00 C ATOM 334 C SER A 21 -1.225 13.231 14.167 1.00 0.00 C ATOM 335 O SER A 21 -2.006 13.855 14.887 1.00 0.00 O ATOM 336 CB SER A 21 1.004 13.299 15.302 1.00 0.00 C ATOM 337 OG SER A 21 0.913 14.595 14.738 1.00 0.00 O ATOM 0 H SER A 21 1.391 11.637 13.518 1.00 0.00 H new ATOM 0 HA SER A 21 -0.522 11.814 15.604 1.00 0.00 H new ATOM 0 HB2 SER A 21 0.939 13.366 16.388 1.00 0.00 H new ATOM 0 HB3 SER A 21 1.976 12.864 15.067 1.00 0.00 H new ATOM 0 HG SER A 21 1.633 15.157 15.092 1.00 0.00 H new ATOM 343 N LYS A 22 -1.294 13.246 12.840 1.00 0.00 N ATOM 344 CA LYS A 22 -2.312 14.011 12.138 1.00 0.00 C ATOM 345 C LYS A 22 -3.405 13.096 11.596 1.00 0.00 C ATOM 346 O LYS A 22 -4.489 13.556 11.233 1.00 0.00 O ATOM 347 CB LYS A 22 -1.684 14.809 10.994 1.00 0.00 C ATOM 348 CG LYS A 22 -1.034 13.939 9.931 1.00 0.00 C ATOM 349 CD LYS A 22 0.450 14.239 9.796 1.00 0.00 C ATOM 350 CE LYS A 22 0.701 15.721 9.572 1.00 0.00 C ATOM 351 NZ LYS A 22 1.511 15.968 8.348 1.00 0.00 N ATOM 0 H LYS A 22 -0.655 12.736 12.230 1.00 0.00 H new ATOM 0 HA LYS A 22 -2.763 14.703 12.849 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -2.452 15.425 10.527 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -0.936 15.488 11.403 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -1.172 12.888 10.185 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -1.528 14.103 8.973 1.00 0.00 H new ATOM 0 HD2 LYS A 22 0.971 13.913 10.696 1.00 0.00 H new ATOM 0 HD3 LYS A 22 0.863 13.669 8.964 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -0.253 16.242 9.487 1.00 0.00 H new ATOM 0 HE3 LYS A 22 1.216 16.137 10.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 2.323 16.573 8.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 1.854 15.062 7.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 0.923 16.442 7.633 1.00 0.00 H new ATOM 365 N VAL A 23 -3.115 11.802 11.542 1.00 0.00 N ATOM 366 CA VAL A 23 -4.070 10.825 11.043 1.00 0.00 C ATOM 367 C VAL A 23 -5.064 10.420 12.124 1.00 0.00 C ATOM 368 O VAL A 23 -4.676 9.980 13.208 1.00 0.00 O ATOM 369 CB VAL A 23 -3.363 9.565 10.511 1.00 0.00 C ATOM 370 CG1 VAL A 23 -2.183 9.945 9.631 1.00 0.00 C ATOM 371 CG2 VAL A 23 -2.915 8.679 11.663 1.00 0.00 C ATOM 0 H VAL A 23 -2.223 11.406 11.839 1.00 0.00 H new ATOM 0 HA VAL A 23 -4.607 11.303 10.224 1.00 0.00 H new ATOM 0 HB VAL A 23 -4.072 9.002 9.904 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -1.696 9.041 9.265 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -2.535 10.536 8.785 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -1.470 10.531 10.211 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -2.417 7.793 11.268 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -2.223 9.231 12.299 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -3.783 8.377 12.249 1.00 0.00 H new ATOM 381 N THR A 24 -6.346 10.571 11.820 1.00 0.00 N ATOM 382 CA THR A 24 -7.400 10.225 12.751 1.00 0.00 C ATOM 383 C THR A 24 -8.224 9.051 12.232 1.00 0.00 C ATOM 384 O THR A 24 -8.213 8.755 11.038 1.00 0.00 O ATOM 385 CB THR A 24 -8.300 11.428 13.000 1.00 0.00 C ATOM 386 OG1 THR A 24 -7.623 12.635 12.702 1.00 0.00 O ATOM 387 CG2 THR A 24 -8.802 11.520 14.424 1.00 0.00 C ATOM 0 H THR A 24 -6.678 10.934 10.927 1.00 0.00 H new ATOM 0 HA THR A 24 -6.937 9.927 13.692 1.00 0.00 H new ATOM 0 HB THR A 24 -9.156 11.285 12.341 1.00 0.00 H new ATOM 0 HG1 THR A 24 -8.220 13.394 12.867 1.00 0.00 H new ATOM 0 HG21 THR A 24 -9.437 12.400 14.530 1.00 0.00 H new ATOM 0 HG22 THR A 24 -9.377 10.626 14.665 1.00 0.00 H new ATOM 0 HG23 THR A 24 -7.954 11.600 15.104 1.00 0.00 H new ATOM 395 N PRO A 25 -8.951 8.370 13.128 1.00 0.00 N ATOM 396 CA PRO A 25 -9.786 7.222 12.759 1.00 0.00 C ATOM 397 C PRO A 25 -10.796 7.575 11.672 1.00 0.00 C ATOM 398 O PRO A 25 -11.107 6.753 10.809 1.00 0.00 O ATOM 399 CB PRO A 25 -10.507 6.867 14.063 1.00 0.00 C ATOM 400 CG PRO A 25 -9.646 7.425 15.143 1.00 0.00 C ATOM 401 CD PRO A 25 -9.016 8.663 14.570 1.00 0.00 C ATOM 0 HA PRO A 25 -9.195 6.402 12.350 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -11.507 7.300 14.092 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -10.624 5.788 14.169 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -10.235 7.661 16.029 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -8.886 6.705 15.448 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -9.614 9.551 14.774 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -8.026 8.842 14.990 1.00 0.00 H new ATOM 409 N GLU A 26 -11.302 8.802 11.720 1.00 0.00 N ATOM 410 CA GLU A 26 -12.272 9.268 10.743 1.00 0.00 C ATOM 411 C GLU A 26 -11.619 10.207 9.734 1.00 0.00 C ATOM 412 O GLU A 26 -12.251 10.634 8.768 1.00 0.00 O ATOM 413 CB GLU A 26 -13.433 9.978 11.441 1.00 0.00 C ATOM 414 CG GLU A 26 -14.266 10.842 10.509 1.00 0.00 C ATOM 415 CD GLU A 26 -15.121 10.024 9.561 1.00 0.00 C ATOM 416 OE1 GLU A 26 -15.571 8.930 9.962 1.00 0.00 O ATOM 417 OE2 GLU A 26 -15.340 10.476 8.418 1.00 0.00 O ATOM 0 H GLU A 26 -11.054 9.492 12.429 1.00 0.00 H new ATOM 0 HA GLU A 26 -12.657 8.399 10.209 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -14.078 9.232 11.905 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -13.038 10.601 12.244 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -14.909 11.493 11.101 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -13.605 11.487 9.931 1.00 0.00 H new ATOM 424 N SER A 27 -10.350 10.526 9.968 1.00 0.00 N ATOM 425 CA SER A 27 -9.608 11.417 9.084 1.00 0.00 C ATOM 426 C SER A 27 -9.537 10.853 7.669 1.00 0.00 C ATOM 427 O SER A 27 -9.215 9.682 7.471 1.00 0.00 O ATOM 428 CB SER A 27 -8.196 11.646 9.624 1.00 0.00 C ATOM 429 OG SER A 27 -7.535 12.675 8.908 1.00 0.00 O ATOM 0 H SER A 27 -9.814 10.180 10.764 1.00 0.00 H new ATOM 0 HA SER A 27 -10.137 12.370 9.048 1.00 0.00 H new ATOM 0 HB2 SER A 27 -8.246 11.909 10.681 1.00 0.00 H new ATOM 0 HB3 SER A 27 -7.622 10.722 9.552 1.00 0.00 H new ATOM 0 HG SER A 27 -6.704 12.913 9.369 1.00 0.00 H new ATOM 435 N HIS A 28 -9.842 11.696 6.689 1.00 0.00 N ATOM 436 CA HIS A 28 -9.816 11.292 5.295 1.00 0.00 C ATOM 437 C HIS A 28 -8.389 11.297 4.753 1.00 0.00 C ATOM 438 O HIS A 28 -7.552 12.085 5.193 1.00 0.00 O ATOM 439 CB HIS A 28 -10.697 12.218 4.457 1.00 0.00 C ATOM 440 CG HIS A 28 -11.848 12.798 5.218 1.00 0.00 C ATOM 441 ND1 HIS A 28 -12.835 12.026 5.794 1.00 0.00 N ATOM 442 CD2 HIS A 28 -12.167 14.084 5.498 1.00 0.00 C ATOM 443 CE1 HIS A 28 -13.711 12.811 6.394 1.00 0.00 C ATOM 444 NE2 HIS A 28 -13.328 14.064 6.230 1.00 0.00 N ATOM 0 H HIS A 28 -10.111 12.668 6.839 1.00 0.00 H new ATOM 0 HA HIS A 28 -10.206 10.276 5.230 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -10.086 13.030 4.064 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -11.081 11.664 3.600 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -11.612 14.961 5.201 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -14.591 12.484 6.928 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -13.816 14.884 6.589 1.00 0.00 H new ATOM 453 N PHE A 29 -8.117 10.410 3.802 1.00 0.00 N ATOM 454 CA PHE A 29 -6.791 10.311 3.208 1.00 0.00 C ATOM 455 C PHE A 29 -6.460 11.547 2.379 1.00 0.00 C ATOM 456 O PHE A 29 -5.771 12.455 2.843 1.00 0.00 O ATOM 457 CB PHE A 29 -6.693 9.055 2.339 1.00 0.00 C ATOM 458 CG PHE A 29 -5.296 8.518 2.214 1.00 0.00 C ATOM 459 CD1 PHE A 29 -4.237 9.365 1.925 1.00 0.00 C ATOM 460 CD2 PHE A 29 -5.041 7.167 2.384 1.00 0.00 C ATOM 461 CE1 PHE A 29 -2.950 8.873 1.810 1.00 0.00 C ATOM 462 CE2 PHE A 29 -3.757 6.670 2.270 1.00 0.00 C ATOM 463 CZ PHE A 29 -2.710 7.524 1.982 1.00 0.00 C ATOM 0 H PHE A 29 -8.798 9.750 3.427 1.00 0.00 H new ATOM 0 HA PHE A 29 -6.066 10.244 4.019 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -7.335 8.281 2.760 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -7.077 9.281 1.344 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -4.419 10.421 1.788 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -5.856 6.494 2.608 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -2.133 9.543 1.586 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -3.572 5.615 2.406 1.00 0.00 H new ATOM 0 HZ PHE A 29 -1.706 7.137 1.892 1.00 0.00 H new ATOM 473 N VAL A 30 -6.949 11.566 1.148 1.00 0.00 N ATOM 474 CA VAL A 30 -6.705 12.681 0.240 1.00 0.00 C ATOM 475 C VAL A 30 -7.198 13.997 0.824 1.00 0.00 C ATOM 476 O VAL A 30 -6.632 15.058 0.561 1.00 0.00 O ATOM 477 CB VAL A 30 -7.381 12.453 -1.125 1.00 0.00 C ATOM 478 CG1 VAL A 30 -6.773 11.250 -1.828 1.00 0.00 C ATOM 479 CG2 VAL A 30 -8.882 12.279 -0.955 1.00 0.00 C ATOM 0 H VAL A 30 -7.520 10.819 0.752 1.00 0.00 H new ATOM 0 HA VAL A 30 -5.625 12.736 0.101 1.00 0.00 H new ATOM 0 HB VAL A 30 -7.209 13.332 -1.746 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -7.263 11.105 -2.791 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -5.708 11.420 -1.985 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -6.911 10.361 -1.213 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -9.342 12.119 -1.930 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -9.078 11.419 -0.315 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -9.303 13.175 -0.498 1.00 0.00 H new ATOM 489 N LYS A 31 -8.256 13.919 1.612 1.00 0.00 N ATOM 490 CA LYS A 31 -8.838 15.098 2.233 1.00 0.00 C ATOM 491 C LYS A 31 -7.996 15.574 3.413 1.00 0.00 C ATOM 492 O LYS A 31 -8.100 16.725 3.837 1.00 0.00 O ATOM 493 CB LYS A 31 -10.268 14.810 2.693 1.00 0.00 C ATOM 494 CG LYS A 31 -10.870 13.564 2.061 1.00 0.00 C ATOM 495 CD LYS A 31 -12.325 13.385 2.462 1.00 0.00 C ATOM 496 CE LYS A 31 -13.267 13.823 1.353 1.00 0.00 C ATOM 497 NZ LYS A 31 -13.705 15.236 1.521 1.00 0.00 N ATOM 0 H LYS A 31 -8.733 13.046 1.839 1.00 0.00 H new ATOM 0 HA LYS A 31 -8.858 15.891 1.486 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -10.277 14.698 3.777 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -10.897 15.668 2.456 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -10.796 13.633 0.976 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -10.297 12.688 2.364 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -12.510 12.339 2.706 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -12.529 13.963 3.363 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -12.771 13.709 0.389 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -14.141 13.171 1.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -14.346 15.495 0.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -14.201 15.340 2.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -12.874 15.861 1.507 1.00 0.00 H new ATOM 511 N ASP A 32 -7.165 14.681 3.943 1.00 0.00 N ATOM 512 CA ASP A 32 -6.314 15.010 5.075 1.00 0.00 C ATOM 513 C ASP A 32 -4.998 15.628 4.613 1.00 0.00 C ATOM 514 O ASP A 32 -4.142 15.968 5.430 1.00 0.00 O ATOM 515 CB ASP A 32 -6.038 13.762 5.913 1.00 0.00 C ATOM 516 CG ASP A 32 -4.942 13.985 6.938 1.00 0.00 C ATOM 517 OD1 ASP A 32 -5.215 14.641 7.965 1.00 0.00 O ATOM 518 OD2 ASP A 32 -3.812 13.504 6.712 1.00 0.00 O ATOM 0 H ASP A 32 -7.065 13.724 3.604 1.00 0.00 H new ATOM 0 HA ASP A 32 -6.840 15.742 5.687 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -6.953 13.460 6.423 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -5.755 12.941 5.255 1.00 0.00 H new ATOM 523 N LEU A 33 -4.842 15.772 3.301 1.00 0.00 N ATOM 524 CA LEU A 33 -3.629 16.351 2.736 1.00 0.00 C ATOM 525 C LEU A 33 -3.250 15.660 1.430 1.00 0.00 C ATOM 526 O LEU A 33 -2.342 16.101 0.725 1.00 0.00 O ATOM 527 CB LEU A 33 -2.475 16.247 3.735 1.00 0.00 C ATOM 528 CG LEU A 33 -2.309 17.453 4.661 1.00 0.00 C ATOM 529 CD1 LEU A 33 -2.075 16.998 6.093 1.00 0.00 C ATOM 530 CD2 LEU A 33 -1.163 18.334 4.186 1.00 0.00 C ATOM 0 H LEU A 33 -5.540 15.496 2.610 1.00 0.00 H new ATOM 0 HA LEU A 33 -3.825 17.402 2.525 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -2.623 15.357 4.346 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.547 16.103 3.181 1.00 0.00 H new ATOM 0 HG LEU A 33 -3.228 18.038 4.633 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.959 17.869 6.737 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -2.927 16.408 6.431 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -1.171 16.390 6.139 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.058 19.188 4.856 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.238 17.758 4.185 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.371 18.688 3.176 1.00 0.00 H new ATOM 542 N GLY A 34 -3.951 14.576 1.113 1.00 0.00 N ATOM 543 CA GLY A 34 -3.674 13.843 -0.108 1.00 0.00 C ATOM 544 C GLY A 34 -2.224 13.948 -0.538 1.00 0.00 C ATOM 545 O GLY A 34 -1.789 14.987 -1.034 1.00 0.00 O ATOM 0 H GLY A 34 -4.707 14.192 1.681 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -3.930 12.794 0.037 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -4.313 14.220 -0.906 1.00 0.00 H new ATOM 549 N LEU A 35 -1.474 12.868 -0.346 1.00 0.00 N ATOM 550 CA LEU A 35 -0.064 12.839 -0.717 1.00 0.00 C ATOM 551 C LEU A 35 0.104 12.946 -2.229 1.00 0.00 C ATOM 552 O LEU A 35 -0.804 12.609 -2.989 1.00 0.00 O ATOM 553 CB LEU A 35 0.591 11.554 -0.208 1.00 0.00 C ATOM 554 CG LEU A 35 -0.343 10.604 0.542 1.00 0.00 C ATOM 555 CD1 LEU A 35 -1.362 9.997 -0.409 1.00 0.00 C ATOM 556 CD2 LEU A 35 0.456 9.512 1.238 1.00 0.00 C ATOM 0 H LEU A 35 -1.819 12.001 0.065 1.00 0.00 H new ATOM 0 HA LEU A 35 0.426 13.696 -0.255 1.00 0.00 H new ATOM 0 HB2 LEU A 35 1.020 11.022 -1.057 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.417 11.822 0.451 1.00 0.00 H new ATOM 0 HG LEU A 35 -0.879 11.175 1.300 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -2.018 9.324 0.142 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -1.955 10.791 -0.862 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.844 9.440 -1.190 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -0.224 8.845 1.767 1.00 0.00 H new ATOM 0 HD22 LEU A 35 1.018 8.944 0.497 1.00 0.00 H new ATOM 0 HD23 LEU A 35 1.147 9.964 1.949 1.00 0.00 H new ATOM 568 N ASN A 36 1.269 13.418 -2.660 1.00 0.00 N ATOM 569 CA ASN A 36 1.553 13.568 -4.083 1.00 0.00 C ATOM 570 C ASN A 36 1.395 12.237 -4.812 1.00 0.00 C ATOM 571 O ASN A 36 1.097 11.214 -4.197 1.00 0.00 O ATOM 572 CB ASN A 36 2.965 14.119 -4.297 1.00 0.00 C ATOM 573 CG ASN A 36 3.841 13.968 -3.072 1.00 0.00 C ATOM 574 OD1 ASN A 36 4.624 14.856 -2.736 1.00 0.00 O ATOM 575 ND2 ASN A 36 3.711 12.836 -2.400 1.00 0.00 N ATOM 0 H ASN A 36 2.031 13.703 -2.045 1.00 0.00 H new ATOM 0 HA ASN A 36 0.834 14.276 -4.495 1.00 0.00 H new ATOM 0 HB2 ASN A 36 3.429 13.602 -5.137 1.00 0.00 H new ATOM 0 HB3 ASN A 36 2.903 15.173 -4.567 1.00 0.00 H new ATOM 0 HD21 ASN A 36 4.273 12.671 -1.565 1.00 0.00 H new ATOM 0 HD22 ASN A 36 3.048 12.128 -2.717 1.00 0.00 H new ATOM 582 N SER A 37 1.591 12.261 -6.125 1.00 0.00 N ATOM 583 CA SER A 37 1.465 11.058 -6.938 1.00 0.00 C ATOM 584 C SER A 37 2.516 10.025 -6.561 1.00 0.00 C ATOM 585 O SER A 37 2.203 8.862 -6.309 1.00 0.00 O ATOM 586 CB SER A 37 1.581 11.405 -8.423 1.00 0.00 C ATOM 587 OG SER A 37 0.437 12.110 -8.874 1.00 0.00 O ATOM 0 H SER A 37 1.838 13.100 -6.649 1.00 0.00 H new ATOM 0 HA SER A 37 0.482 10.628 -6.748 1.00 0.00 H new ATOM 0 HB2 SER A 37 2.473 12.009 -8.590 1.00 0.00 H new ATOM 0 HB3 SER A 37 1.701 10.491 -9.005 1.00 0.00 H new ATOM 0 HG SER A 37 0.537 12.321 -9.826 1.00 0.00 H new ATOM 592 N LEU A 38 3.765 10.463 -6.532 1.00 0.00 N ATOM 593 CA LEU A 38 4.877 9.585 -6.196 1.00 0.00 C ATOM 594 C LEU A 38 4.682 8.953 -4.820 1.00 0.00 C ATOM 595 O LEU A 38 5.390 8.016 -4.451 1.00 0.00 O ATOM 596 CB LEU A 38 6.200 10.355 -6.249 1.00 0.00 C ATOM 597 CG LEU A 38 6.402 11.404 -5.154 1.00 0.00 C ATOM 598 CD1 LEU A 38 6.630 12.776 -5.769 1.00 0.00 C ATOM 599 CD2 LEU A 38 5.215 11.435 -4.208 1.00 0.00 C ATOM 0 H LEU A 38 4.036 11.425 -6.738 1.00 0.00 H new ATOM 0 HA LEU A 38 4.909 8.783 -6.933 1.00 0.00 H new ATOM 0 HB2 LEU A 38 7.019 9.638 -6.195 1.00 0.00 H new ATOM 0 HB3 LEU A 38 6.273 10.849 -7.218 1.00 0.00 H new ATOM 0 HG LEU A 38 7.286 11.130 -4.579 1.00 0.00 H new ATOM 0 HD11 LEU A 38 6.772 13.511 -4.977 1.00 0.00 H new ATOM 0 HD12 LEU A 38 7.517 12.748 -6.401 1.00 0.00 H new ATOM 0 HD13 LEU A 38 5.764 13.054 -6.370 1.00 0.00 H new ATOM 0 HD21 LEU A 38 5.383 12.189 -3.439 1.00 0.00 H new ATOM 0 HD22 LEU A 38 4.311 11.681 -4.766 1.00 0.00 H new ATOM 0 HD23 LEU A 38 5.098 10.458 -3.739 1.00 0.00 H new ATOM 611 N ASP A 39 3.712 9.465 -4.069 1.00 0.00 N ATOM 612 CA ASP A 39 3.422 8.943 -2.740 1.00 0.00 C ATOM 613 C ASP A 39 2.559 7.694 -2.828 1.00 0.00 C ATOM 614 O ASP A 39 3.065 6.588 -3.018 1.00 0.00 O ATOM 615 CB ASP A 39 2.716 10.002 -1.892 1.00 0.00 C ATOM 616 CG ASP A 39 3.672 10.739 -0.975 1.00 0.00 C ATOM 617 OD1 ASP A 39 4.839 10.307 -0.862 1.00 0.00 O ATOM 618 OD2 ASP A 39 3.254 11.749 -0.368 1.00 0.00 O ATOM 0 H ASP A 39 3.115 10.240 -4.358 1.00 0.00 H new ATOM 0 HA ASP A 39 4.368 8.682 -2.266 1.00 0.00 H new ATOM 0 HB2 ASP A 39 2.221 10.718 -2.548 1.00 0.00 H new ATOM 0 HB3 ASP A 39 1.938 9.526 -1.295 1.00 0.00 H new ATOM 623 N VAL A 40 1.254 7.879 -2.690 1.00 0.00 N ATOM 624 CA VAL A 40 0.318 6.765 -2.756 1.00 0.00 C ATOM 625 C VAL A 40 0.801 5.707 -3.741 1.00 0.00 C ATOM 626 O VAL A 40 0.609 4.512 -3.526 1.00 0.00 O ATOM 627 CB VAL A 40 -1.090 7.231 -3.168 1.00 0.00 C ATOM 628 CG1 VAL A 40 -1.298 7.052 -4.664 1.00 0.00 C ATOM 629 CG2 VAL A 40 -2.150 6.476 -2.380 1.00 0.00 C ATOM 0 H VAL A 40 0.819 8.788 -2.532 1.00 0.00 H new ATOM 0 HA VAL A 40 0.266 6.335 -1.756 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.184 8.292 -2.939 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -2.299 7.387 -4.935 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.559 7.641 -5.207 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.185 5.999 -4.924 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -3.140 6.817 -2.683 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -2.058 5.408 -2.577 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -2.012 6.662 -1.315 1.00 0.00 H new ATOM 639 N VAL A 41 1.431 6.157 -4.823 1.00 0.00 N ATOM 640 CA VAL A 41 1.941 5.249 -5.841 1.00 0.00 C ATOM 641 C VAL A 41 3.048 4.359 -5.285 1.00 0.00 C ATOM 642 O VAL A 41 2.953 3.133 -5.333 1.00 0.00 O ATOM 643 CB VAL A 41 2.479 6.016 -7.064 1.00 0.00 C ATOM 644 CG1 VAL A 41 1.401 6.914 -7.649 1.00 0.00 C ATOM 645 CG2 VAL A 41 3.711 6.825 -6.688 1.00 0.00 C ATOM 0 H VAL A 41 1.599 7.144 -5.015 1.00 0.00 H new ATOM 0 HA VAL A 41 1.102 4.627 -6.153 1.00 0.00 H new ATOM 0 HB VAL A 41 2.767 5.291 -7.825 1.00 0.00 H new ATOM 0 HG11 VAL A 41 1.800 7.447 -8.512 1.00 0.00 H new ATOM 0 HG12 VAL A 41 0.551 6.307 -7.959 1.00 0.00 H new ATOM 0 HG13 VAL A 41 1.078 7.633 -6.896 1.00 0.00 H new ATOM 0 HG21 VAL A 41 4.077 7.360 -7.565 1.00 0.00 H new ATOM 0 HG22 VAL A 41 3.452 7.541 -5.908 1.00 0.00 H new ATOM 0 HG23 VAL A 41 4.489 6.155 -6.322 1.00 0.00 H new ATOM 655 N GLU A 42 4.097 4.981 -4.756 1.00 0.00 N ATOM 656 CA GLU A 42 5.217 4.236 -4.193 1.00 0.00 C ATOM 657 C GLU A 42 4.741 3.287 -3.102 1.00 0.00 C ATOM 658 O GLU A 42 5.218 2.158 -2.990 1.00 0.00 O ATOM 659 CB GLU A 42 6.268 5.195 -3.631 1.00 0.00 C ATOM 660 CG GLU A 42 6.288 5.255 -2.112 1.00 0.00 C ATOM 661 CD GLU A 42 7.175 4.189 -1.500 1.00 0.00 C ATOM 662 OE1 GLU A 42 6.816 2.996 -1.586 1.00 0.00 O ATOM 663 OE2 GLU A 42 8.230 4.547 -0.934 1.00 0.00 O ATOM 0 H GLU A 42 4.195 5.995 -4.706 1.00 0.00 H new ATOM 0 HA GLU A 42 5.668 3.647 -4.992 1.00 0.00 H new ATOM 0 HB2 GLU A 42 7.252 4.891 -3.987 1.00 0.00 H new ATOM 0 HB3 GLU A 42 6.082 6.195 -4.023 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.636 6.238 -1.795 1.00 0.00 H new ATOM 0 HG3 GLU A 42 5.272 5.139 -1.734 1.00 0.00 H new ATOM 670 N VAL A 43 3.795 3.757 -2.304 1.00 0.00 N ATOM 671 CA VAL A 43 3.242 2.961 -1.215 1.00 0.00 C ATOM 672 C VAL A 43 2.444 1.779 -1.740 1.00 0.00 C ATOM 673 O VAL A 43 2.539 0.669 -1.217 1.00 0.00 O ATOM 674 CB VAL A 43 2.327 3.793 -0.301 1.00 0.00 C ATOM 675 CG1 VAL A 43 1.668 4.924 -1.072 1.00 0.00 C ATOM 676 CG2 VAL A 43 1.278 2.906 0.332 1.00 0.00 C ATOM 0 H VAL A 43 3.391 4.690 -2.389 1.00 0.00 H new ATOM 0 HA VAL A 43 4.097 2.604 -0.640 1.00 0.00 H new ATOM 0 HB VAL A 43 2.940 4.234 0.485 1.00 0.00 H new ATOM 0 HG11 VAL A 43 1.027 5.496 -0.402 1.00 0.00 H new ATOM 0 HG12 VAL A 43 2.436 5.578 -1.486 1.00 0.00 H new ATOM 0 HG13 VAL A 43 1.068 4.511 -1.883 1.00 0.00 H new ATOM 0 HG21 VAL A 43 0.636 3.506 0.977 1.00 0.00 H new ATOM 0 HG22 VAL A 43 0.676 2.441 -0.448 1.00 0.00 H new ATOM 0 HG23 VAL A 43 1.766 2.132 0.924 1.00 0.00 H new ATOM 686 N VAL A 44 1.656 2.027 -2.774 1.00 0.00 N ATOM 687 CA VAL A 44 0.837 0.981 -3.368 1.00 0.00 C ATOM 688 C VAL A 44 1.711 -0.174 -3.826 1.00 0.00 C ATOM 689 O VAL A 44 1.293 -1.331 -3.820 1.00 0.00 O ATOM 690 CB VAL A 44 0.023 1.508 -4.563 1.00 0.00 C ATOM 691 CG1 VAL A 44 -0.807 2.714 -4.155 1.00 0.00 C ATOM 692 CG2 VAL A 44 0.941 1.849 -5.727 1.00 0.00 C ATOM 0 H VAL A 44 1.566 2.940 -3.219 1.00 0.00 H new ATOM 0 HA VAL A 44 0.141 0.637 -2.603 1.00 0.00 H new ATOM 0 HB VAL A 44 -0.659 0.722 -4.888 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -1.375 3.072 -5.014 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -1.494 2.430 -3.358 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -0.148 3.506 -3.800 1.00 0.00 H new ATOM 0 HG21 VAL A 44 0.347 2.220 -6.562 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.651 2.616 -5.418 1.00 0.00 H new ATOM 0 HG23 VAL A 44 1.484 0.956 -6.036 1.00 0.00 H new ATOM 702 N PHE A 45 2.938 0.152 -4.211 1.00 0.00 N ATOM 703 CA PHE A 45 3.889 -0.847 -4.661 1.00 0.00 C ATOM 704 C PHE A 45 4.472 -1.596 -3.472 1.00 0.00 C ATOM 705 O PHE A 45 4.815 -2.774 -3.566 1.00 0.00 O ATOM 706 CB PHE A 45 5.006 -0.182 -5.460 1.00 0.00 C ATOM 707 CG PHE A 45 5.085 -0.662 -6.876 1.00 0.00 C ATOM 708 CD1 PHE A 45 5.719 -1.854 -7.174 1.00 0.00 C ATOM 709 CD2 PHE A 45 4.527 0.075 -7.905 1.00 0.00 C ATOM 710 CE1 PHE A 45 5.797 -2.306 -8.477 1.00 0.00 C ATOM 711 CE2 PHE A 45 4.601 -0.370 -9.212 1.00 0.00 C ATOM 712 CZ PHE A 45 5.237 -1.563 -9.499 1.00 0.00 C ATOM 0 H PHE A 45 3.296 1.107 -4.219 1.00 0.00 H new ATOM 0 HA PHE A 45 3.370 -1.560 -5.302 1.00 0.00 H new ATOM 0 HB2 PHE A 45 4.853 0.897 -5.457 1.00 0.00 H new ATOM 0 HB3 PHE A 45 5.959 -0.370 -4.966 1.00 0.00 H new ATOM 0 HD1 PHE A 45 6.158 -2.438 -6.379 1.00 0.00 H new ATOM 0 HD2 PHE A 45 4.028 1.008 -7.685 1.00 0.00 H new ATOM 0 HE1 PHE A 45 6.295 -3.239 -8.697 1.00 0.00 H new ATOM 0 HE2 PHE A 45 4.162 0.214 -10.008 1.00 0.00 H new ATOM 0 HZ PHE A 45 5.296 -1.914 -10.519 1.00 0.00 H new ATOM 722 N ALA A 46 4.576 -0.894 -2.353 1.00 0.00 N ATOM 723 CA ALA A 46 5.112 -1.466 -1.129 1.00 0.00 C ATOM 724 C ALA A 46 4.134 -2.456 -0.511 1.00 0.00 C ATOM 725 O ALA A 46 4.296 -3.672 -0.634 1.00 0.00 O ATOM 726 CB ALA A 46 5.446 -0.363 -0.136 1.00 0.00 C ATOM 0 H ALA A 46 4.293 0.082 -2.269 1.00 0.00 H new ATOM 0 HA ALA A 46 6.025 -2.006 -1.379 1.00 0.00 H new ATOM 0 HB1 ALA A 46 5.847 -0.804 0.777 1.00 0.00 H new ATOM 0 HB2 ALA A 46 6.188 0.306 -0.572 1.00 0.00 H new ATOM 0 HB3 ALA A 46 4.543 0.200 0.099 1.00 0.00 H new ATOM 732 N ILE A 47 3.122 -1.922 0.155 1.00 0.00 N ATOM 733 CA ILE A 47 2.111 -2.746 0.801 1.00 0.00 C ATOM 734 C ILE A 47 1.651 -3.871 -0.120 1.00 0.00 C ATOM 735 O ILE A 47 1.566 -5.026 0.294 1.00 0.00 O ATOM 736 CB ILE A 47 0.892 -1.911 1.241 1.00 0.00 C ATOM 737 CG1 ILE A 47 -0.085 -1.725 0.079 1.00 0.00 C ATOM 738 CG2 ILE A 47 1.344 -0.561 1.776 1.00 0.00 C ATOM 739 CD1 ILE A 47 0.294 -0.593 -0.851 1.00 0.00 C ATOM 0 H ILE A 47 2.978 -0.918 0.263 1.00 0.00 H new ATOM 0 HA ILE A 47 2.574 -3.177 1.689 1.00 0.00 H new ATOM 0 HB ILE A 47 0.376 -2.448 2.037 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -0.139 -2.652 -0.492 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -1.082 -1.538 0.479 1.00 0.00 H new ATOM 0 HG21 ILE A 47 0.473 0.019 2.083 1.00 0.00 H new ATOM 0 HG22 ILE A 47 2.001 -0.711 2.633 1.00 0.00 H new ATOM 0 HG23 ILE A 47 1.882 -0.022 0.996 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -0.442 -0.518 -1.652 1.00 0.00 H new ATOM 0 HD12 ILE A 47 0.320 0.343 -0.293 1.00 0.00 H new ATOM 0 HD13 ILE A 47 1.277 -0.788 -1.279 1.00 0.00 H new ATOM 751 N GLU A 48 1.362 -3.533 -1.373 1.00 0.00 N ATOM 752 CA GLU A 48 0.918 -4.529 -2.339 1.00 0.00 C ATOM 753 C GLU A 48 1.934 -5.656 -2.440 1.00 0.00 C ATOM 754 O GLU A 48 1.574 -6.824 -2.603 1.00 0.00 O ATOM 755 CB GLU A 48 0.701 -3.887 -3.710 1.00 0.00 C ATOM 756 CG GLU A 48 -0.557 -3.039 -3.790 1.00 0.00 C ATOM 757 CD GLU A 48 -1.744 -3.689 -3.103 1.00 0.00 C ATOM 758 OE1 GLU A 48 -1.668 -3.917 -1.879 1.00 0.00 O ATOM 759 OE2 GLU A 48 -2.749 -3.965 -3.791 1.00 0.00 O ATOM 0 H GLU A 48 1.427 -2.584 -1.740 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.031 -4.943 -1.997 1.00 0.00 H new ATOM 0 HB2 GLU A 48 1.564 -3.267 -3.952 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.650 -4.671 -4.465 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -0.365 -2.068 -3.334 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -0.802 -2.857 -4.836 1.00 0.00 H new ATOM 766 N GLN A 49 3.204 -5.295 -2.330 1.00 0.00 N ATOM 767 CA GLN A 49 4.284 -6.270 -2.396 1.00 0.00 C ATOM 768 C GLN A 49 4.096 -7.342 -1.330 1.00 0.00 C ATOM 769 O GLN A 49 4.149 -8.537 -1.620 1.00 0.00 O ATOM 770 CB GLN A 49 5.637 -5.580 -2.214 1.00 0.00 C ATOM 771 CG GLN A 49 6.153 -5.616 -0.784 1.00 0.00 C ATOM 772 CD GLN A 49 7.419 -4.802 -0.601 1.00 0.00 C ATOM 773 OE1 GLN A 49 8.300 -5.170 0.177 1.00 0.00 O ATOM 774 NE2 GLN A 49 7.515 -3.689 -1.319 1.00 0.00 N ATOM 0 H GLN A 49 3.513 -4.332 -2.194 1.00 0.00 H new ATOM 0 HA GLN A 49 4.262 -6.744 -3.378 1.00 0.00 H new ATOM 0 HB2 GLN A 49 6.369 -6.056 -2.867 1.00 0.00 H new ATOM 0 HB3 GLN A 49 5.552 -4.542 -2.534 1.00 0.00 H new ATOM 0 HG2 GLN A 49 5.382 -5.237 -0.114 1.00 0.00 H new ATOM 0 HG3 GLN A 49 6.345 -6.650 -0.497 1.00 0.00 H new ATOM 0 HE21 GLN A 49 6.760 -3.423 -1.951 1.00 0.00 H new ATOM 0 HE22 GLN A 49 8.344 -3.100 -1.238 1.00 0.00 H new ATOM 783 N GLU A 50 3.867 -6.906 -0.094 1.00 0.00 N ATOM 784 CA GLU A 50 3.662 -7.826 1.008 1.00 0.00 C ATOM 785 C GLU A 50 2.194 -7.857 1.422 1.00 0.00 C ATOM 786 O GLU A 50 1.875 -8.002 2.602 1.00 0.00 O ATOM 787 CB GLU A 50 4.534 -7.434 2.201 1.00 0.00 C ATOM 788 CG GLU A 50 3.812 -6.575 3.226 1.00 0.00 C ATOM 789 CD GLU A 50 4.767 -5.825 4.134 1.00 0.00 C ATOM 790 OE1 GLU A 50 5.780 -5.299 3.626 1.00 0.00 O ATOM 791 OE2 GLU A 50 4.502 -5.762 5.353 1.00 0.00 O ATOM 0 H GLU A 50 3.820 -5.920 0.164 1.00 0.00 H new ATOM 0 HA GLU A 50 3.949 -8.823 0.674 1.00 0.00 H new ATOM 0 HB2 GLU A 50 4.896 -8.339 2.688 1.00 0.00 H new ATOM 0 HB3 GLU A 50 5.409 -6.895 1.839 1.00 0.00 H new ATOM 0 HG2 GLU A 50 3.171 -5.861 2.709 1.00 0.00 H new ATOM 0 HG3 GLU A 50 3.162 -7.207 3.831 1.00 0.00 H new ATOM 798 N PHE A 51 1.308 -7.719 0.441 1.00 0.00 N ATOM 799 CA PHE A 51 -0.122 -7.727 0.687 1.00 0.00 C ATOM 800 C PHE A 51 -0.835 -8.712 -0.235 1.00 0.00 C ATOM 801 O PHE A 51 -1.983 -9.082 0.008 1.00 0.00 O ATOM 802 CB PHE A 51 -0.705 -6.325 0.497 1.00 0.00 C ATOM 803 CG PHE A 51 -0.713 -5.496 1.751 1.00 0.00 C ATOM 804 CD1 PHE A 51 -0.129 -5.967 2.916 1.00 0.00 C ATOM 805 CD2 PHE A 51 -1.306 -4.243 1.763 1.00 0.00 C ATOM 806 CE1 PHE A 51 -0.137 -5.204 4.069 1.00 0.00 C ATOM 807 CE2 PHE A 51 -1.317 -3.476 2.912 1.00 0.00 C ATOM 808 CZ PHE A 51 -0.731 -3.958 4.066 1.00 0.00 C ATOM 0 H PHE A 51 1.563 -7.599 -0.539 1.00 0.00 H new ATOM 0 HA PHE A 51 -0.280 -8.044 1.718 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -0.130 -5.803 -0.268 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -1.726 -6.413 0.125 1.00 0.00 H new ATOM 0 HD1 PHE A 51 0.338 -6.941 2.923 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -1.765 -3.862 0.863 1.00 0.00 H new ATOM 0 HE1 PHE A 51 0.321 -5.582 4.971 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -1.783 -2.502 2.908 1.00 0.00 H new ATOM 0 HZ PHE A 51 -0.738 -3.360 4.966 1.00 0.00 H new ATOM 818 N ILE A 52 -0.152 -9.132 -1.298 1.00 0.00 N ATOM 819 CA ILE A 52 -0.728 -10.070 -2.253 1.00 0.00 C ATOM 820 C ILE A 52 -1.913 -9.447 -2.983 1.00 0.00 C ATOM 821 O ILE A 52 -2.925 -10.105 -3.223 1.00 0.00 O ATOM 822 CB ILE A 52 -1.190 -11.363 -1.559 1.00 0.00 C ATOM 823 CG1 ILE A 52 -0.217 -11.741 -0.445 1.00 0.00 C ATOM 824 CG2 ILE A 52 -1.319 -12.494 -2.567 1.00 0.00 C ATOM 825 CD1 ILE A 52 -0.781 -11.532 0.943 1.00 0.00 C ATOM 0 H ILE A 52 0.799 -8.837 -1.518 1.00 0.00 H new ATOM 0 HA ILE A 52 0.054 -10.313 -2.973 1.00 0.00 H new ATOM 0 HB ILE A 52 -2.171 -11.189 -1.117 1.00 0.00 H new ATOM 0 HG12 ILE A 52 0.066 -12.787 -0.560 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.693 -11.151 -0.552 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -1.647 -13.400 -2.057 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -2.050 -12.221 -3.328 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -0.353 -12.673 -3.039 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -0.037 -11.821 1.685 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -1.038 -10.481 1.077 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -1.675 -12.143 1.068 1.00 0.00 H new ATOM 837 N LEU A 53 -1.774 -8.174 -3.338 1.00 0.00 N ATOM 838 CA LEU A 53 -2.824 -7.455 -4.043 1.00 0.00 C ATOM 839 C LEU A 53 -2.286 -6.156 -4.636 1.00 0.00 C ATOM 840 O LEU A 53 -1.186 -5.718 -4.298 1.00 0.00 O ATOM 841 CB LEU A 53 -3.994 -7.158 -3.105 1.00 0.00 C ATOM 842 CG LEU A 53 -5.107 -6.299 -3.708 1.00 0.00 C ATOM 843 CD1 LEU A 53 -5.872 -7.083 -4.763 1.00 0.00 C ATOM 844 CD2 LEU A 53 -6.050 -5.808 -2.619 1.00 0.00 C ATOM 0 H LEU A 53 -0.940 -7.619 -3.147 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.178 -8.087 -4.857 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.424 -8.104 -2.775 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -3.609 -6.656 -2.217 1.00 0.00 H new ATOM 0 HG LEU A 53 -4.653 -5.431 -4.186 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -6.660 -6.457 -5.181 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -5.190 -7.386 -5.557 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -6.316 -7.969 -4.308 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -6.836 -5.199 -3.066 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -6.498 -6.663 -2.113 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -5.493 -5.210 -1.898 1.00 0.00 H new ATOM 856 N ASP A 54 -3.066 -5.545 -5.522 1.00 0.00 N ATOM 857 CA ASP A 54 -2.668 -4.304 -6.159 1.00 0.00 C ATOM 858 C ASP A 54 -3.666 -3.189 -5.863 1.00 0.00 C ATOM 859 O ASP A 54 -4.872 -3.421 -5.802 1.00 0.00 O ATOM 860 CB ASP A 54 -2.531 -4.501 -7.669 1.00 0.00 C ATOM 861 CG ASP A 54 -1.465 -5.518 -8.026 1.00 0.00 C ATOM 862 OD1 ASP A 54 -1.018 -6.252 -7.119 1.00 0.00 O ATOM 863 OD2 ASP A 54 -1.078 -5.581 -9.211 1.00 0.00 O ATOM 0 H ASP A 54 -3.979 -5.894 -5.813 1.00 0.00 H new ATOM 0 HA ASP A 54 -1.701 -4.012 -5.750 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -3.488 -4.823 -8.079 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -2.289 -3.546 -8.137 1.00 0.00 H new ATOM 868 N ILE A 55 -3.152 -1.976 -5.683 1.00 0.00 N ATOM 869 CA ILE A 55 -3.991 -0.825 -5.399 1.00 0.00 C ATOM 870 C ILE A 55 -3.821 0.262 -6.456 1.00 0.00 C ATOM 871 O ILE A 55 -4.070 1.439 -6.194 1.00 0.00 O ATOM 872 CB ILE A 55 -3.677 -0.227 -4.013 1.00 0.00 C ATOM 873 CG1 ILE A 55 -3.904 -1.270 -2.917 1.00 0.00 C ATOM 874 CG2 ILE A 55 -4.530 1.008 -3.762 1.00 0.00 C ATOM 875 CD1 ILE A 55 -3.806 -0.705 -1.517 1.00 0.00 C ATOM 0 H ILE A 55 -2.154 -1.768 -5.730 1.00 0.00 H new ATOM 0 HA ILE A 55 -5.021 -1.180 -5.411 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.628 0.070 -3.993 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -4.888 -1.718 -3.051 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -3.172 -2.069 -3.030 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -4.296 1.418 -2.779 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -4.321 1.756 -4.527 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -5.585 0.736 -3.800 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -3.978 -1.500 -0.791 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -2.813 -0.282 -1.364 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -4.557 0.074 -1.386 1.00 0.00 H new ATOM 887 N PRO A 56 -3.390 -0.120 -7.669 1.00 0.00 N ATOM 888 CA PRO A 56 -3.183 0.826 -8.768 1.00 0.00 C ATOM 889 C PRO A 56 -4.492 1.254 -9.423 1.00 0.00 C ATOM 890 O PRO A 56 -5.576 0.957 -8.921 1.00 0.00 O ATOM 891 CB PRO A 56 -2.331 0.026 -9.751 1.00 0.00 C ATOM 892 CG PRO A 56 -2.730 -1.391 -9.525 1.00 0.00 C ATOM 893 CD PRO A 56 -3.067 -1.504 -8.061 1.00 0.00 C ATOM 0 HA PRO A 56 -2.722 1.754 -8.431 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -2.520 0.332 -10.780 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -1.267 0.173 -9.565 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -3.587 -1.658 -10.143 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -1.921 -2.071 -9.792 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -3.910 -2.174 -7.895 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -2.229 -1.898 -7.486 1.00 0.00 H new ATOM 901 N ASP A 57 -4.381 1.953 -10.548 1.00 0.00 N ATOM 902 CA ASP A 57 -5.553 2.423 -11.277 1.00 0.00 C ATOM 903 C ASP A 57 -6.629 2.926 -10.319 1.00 0.00 C ATOM 904 O ASP A 57 -6.328 3.396 -9.221 1.00 0.00 O ATOM 905 CB ASP A 57 -6.118 1.302 -12.153 1.00 0.00 C ATOM 906 CG ASP A 57 -5.072 0.268 -12.514 1.00 0.00 C ATOM 907 OD1 ASP A 57 -3.882 0.635 -12.610 1.00 0.00 O ATOM 908 OD2 ASP A 57 -5.442 -0.911 -12.702 1.00 0.00 O ATOM 0 H ASP A 57 -3.490 2.207 -10.975 1.00 0.00 H new ATOM 0 HA ASP A 57 -5.244 3.253 -11.913 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -6.941 0.815 -11.629 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -6.531 1.731 -13.066 1.00 0.00 H new ATOM 913 N HIS A 58 -7.885 2.824 -10.744 1.00 0.00 N ATOM 914 CA HIS A 58 -9.008 3.270 -9.928 1.00 0.00 C ATOM 915 C HIS A 58 -8.991 2.592 -8.562 1.00 0.00 C ATOM 916 O HIS A 58 -9.737 2.973 -7.661 1.00 0.00 O ATOM 917 CB HIS A 58 -10.330 2.976 -10.640 1.00 0.00 C ATOM 918 CG HIS A 58 -10.244 3.089 -12.130 1.00 0.00 C ATOM 919 ND1 HIS A 58 -10.507 4.257 -12.813 1.00 0.00 N ATOM 920 CD2 HIS A 58 -9.924 2.169 -13.071 1.00 0.00 C ATOM 921 CE1 HIS A 58 -10.352 4.051 -14.109 1.00 0.00 C ATOM 922 NE2 HIS A 58 -9.997 2.793 -14.293 1.00 0.00 N ATOM 0 H HIS A 58 -8.150 2.436 -11.649 1.00 0.00 H new ATOM 0 HA HIS A 58 -8.914 4.346 -9.780 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -10.659 1.970 -10.378 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -11.091 3.665 -10.275 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -9.660 1.137 -12.894 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -10.492 4.787 -14.886 1.00 0.00 H new ATOM 0 HE2 HIS A 58 -9.808 2.356 -15.195 1.00 0.00 H new ATOM 931 N ASP A 59 -8.137 1.585 -8.415 1.00 0.00 N ATOM 932 CA ASP A 59 -8.026 0.856 -7.157 1.00 0.00 C ATOM 933 C ASP A 59 -7.555 1.776 -6.036 1.00 0.00 C ATOM 934 O ASP A 59 -8.099 1.755 -4.933 1.00 0.00 O ATOM 935 CB ASP A 59 -7.061 -0.320 -7.309 1.00 0.00 C ATOM 936 CG ASP A 59 -7.227 -1.039 -8.634 1.00 0.00 C ATOM 937 OD1 ASP A 59 -8.346 -1.011 -9.187 1.00 0.00 O ATOM 938 OD2 ASP A 59 -6.238 -1.627 -9.118 1.00 0.00 O ATOM 0 H ASP A 59 -7.512 1.255 -9.151 1.00 0.00 H new ATOM 0 HA ASP A 59 -9.013 0.474 -6.898 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -6.036 0.041 -7.221 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -7.222 -1.025 -6.494 1.00 0.00 H new ATOM 943 N ALA A 60 -6.539 2.582 -6.327 1.00 0.00 N ATOM 944 CA ALA A 60 -5.994 3.507 -5.346 1.00 0.00 C ATOM 945 C ALA A 60 -6.734 4.839 -5.377 1.00 0.00 C ATOM 946 O ALA A 60 -6.806 5.546 -4.371 1.00 0.00 O ATOM 947 CB ALA A 60 -4.508 3.720 -5.587 1.00 0.00 C ATOM 0 H ALA A 60 -6.078 2.611 -7.236 1.00 0.00 H new ATOM 0 HA ALA A 60 -6.130 3.069 -4.357 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -4.115 4.415 -4.845 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -3.986 2.767 -5.504 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -4.357 4.131 -6.585 1.00 0.00 H new ATOM 953 N GLU A 61 -7.280 5.173 -6.537 1.00 0.00 N ATOM 954 CA GLU A 61 -8.015 6.418 -6.709 1.00 0.00 C ATOM 955 C GLU A 61 -9.378 6.348 -6.028 1.00 0.00 C ATOM 956 O GLU A 61 -9.938 7.369 -5.630 1.00 0.00 O ATOM 957 CB GLU A 61 -8.191 6.732 -8.197 1.00 0.00 C ATOM 958 CG GLU A 61 -6.879 6.954 -8.930 1.00 0.00 C ATOM 959 CD GLU A 61 -6.948 8.107 -9.911 1.00 0.00 C ATOM 960 OE1 GLU A 61 -7.816 8.987 -9.733 1.00 0.00 O ATOM 961 OE2 GLU A 61 -6.135 8.130 -10.859 1.00 0.00 O ATOM 0 H GLU A 61 -7.228 4.596 -7.377 1.00 0.00 H new ATOM 0 HA GLU A 61 -7.437 7.216 -6.242 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -8.729 5.911 -8.672 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -8.811 7.622 -8.301 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -6.089 7.146 -8.204 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -6.606 6.043 -9.464 1.00 0.00 H new ATOM 968 N LYS A 62 -9.909 5.135 -5.901 1.00 0.00 N ATOM 969 CA LYS A 62 -11.206 4.930 -5.272 1.00 0.00 C ATOM 970 C LYS A 62 -11.120 5.125 -3.763 1.00 0.00 C ATOM 971 O LYS A 62 -12.070 4.836 -3.034 1.00 0.00 O ATOM 972 CB LYS A 62 -11.732 3.529 -5.588 1.00 0.00 C ATOM 973 CG LYS A 62 -12.557 3.462 -6.863 1.00 0.00 C ATOM 974 CD LYS A 62 -13.416 4.704 -7.036 1.00 0.00 C ATOM 975 CE LYS A 62 -12.764 5.706 -7.973 1.00 0.00 C ATOM 976 NZ LYS A 62 -13.579 6.945 -8.117 1.00 0.00 N ATOM 0 H LYS A 62 -9.459 4.280 -6.226 1.00 0.00 H new ATOM 0 HA LYS A 62 -11.897 5.671 -5.674 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -10.888 2.844 -5.675 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -12.340 3.181 -4.753 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -11.894 3.354 -7.721 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -13.194 2.578 -6.839 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -14.393 4.420 -7.428 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -13.585 5.169 -6.065 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -11.774 5.964 -7.596 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -12.623 5.249 -8.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -13.099 7.603 -8.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -14.515 6.702 -8.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -13.692 7.396 -7.187 1.00 0.00 H new ATOM 990 N ILE A 63 -9.976 5.615 -3.297 1.00 0.00 N ATOM 991 CA ILE A 63 -9.767 5.847 -1.878 1.00 0.00 C ATOM 992 C ILE A 63 -9.792 7.336 -1.552 1.00 0.00 C ATOM 993 O ILE A 63 -9.008 8.114 -2.095 1.00 0.00 O ATOM 994 CB ILE A 63 -8.430 5.251 -1.401 1.00 0.00 C ATOM 995 CG1 ILE A 63 -8.634 3.824 -0.888 1.00 0.00 C ATOM 996 CG2 ILE A 63 -7.816 6.126 -0.319 1.00 0.00 C ATOM 997 CD1 ILE A 63 -7.585 2.850 -1.376 1.00 0.00 C ATOM 0 H ILE A 63 -9.179 5.859 -3.885 1.00 0.00 H new ATOM 0 HA ILE A 63 -10.585 5.351 -1.355 1.00 0.00 H new ATOM 0 HB ILE A 63 -7.743 5.217 -2.247 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -8.629 3.834 0.202 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -9.618 3.472 -1.199 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -6.871 5.691 0.008 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -7.637 7.125 -0.717 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -8.499 6.190 0.528 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -7.793 1.859 -0.973 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -7.604 2.810 -2.465 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -6.601 3.178 -1.042 1.00 0.00 H new ATOM 1009 N GLN A 64 -10.701 7.727 -0.663 1.00 0.00 N ATOM 1010 CA GLN A 64 -10.831 9.114 -0.264 1.00 0.00 C ATOM 1011 C GLN A 64 -10.554 9.281 1.226 1.00 0.00 C ATOM 1012 O GLN A 64 -9.886 10.229 1.640 1.00 0.00 O ATOM 1013 CB GLN A 64 -12.229 9.637 -0.601 1.00 0.00 C ATOM 1014 CG GLN A 64 -12.660 9.344 -2.028 1.00 0.00 C ATOM 1015 CD GLN A 64 -11.492 8.998 -2.931 1.00 0.00 C ATOM 1016 OE1 GLN A 64 -10.647 9.845 -3.224 1.00 0.00 O ATOM 1017 NE2 GLN A 64 -11.439 7.749 -3.379 1.00 0.00 N ATOM 0 H GLN A 64 -11.359 7.095 -0.207 1.00 0.00 H new ATOM 0 HA GLN A 64 -10.093 9.695 -0.817 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -12.949 9.193 0.086 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -12.254 10.714 -0.437 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -13.370 8.517 -2.026 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -13.182 10.212 -2.431 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -12.161 7.080 -3.111 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -10.677 7.459 -3.991 1.00 0.00 H new ATOM 1026 N SER A 65 -11.072 8.356 2.026 1.00 0.00 N ATOM 1027 CA SER A 65 -10.881 8.401 3.471 1.00 0.00 C ATOM 1028 C SER A 65 -9.877 7.344 3.921 1.00 0.00 C ATOM 1029 O SER A 65 -9.703 6.319 3.262 1.00 0.00 O ATOM 1030 CB SER A 65 -12.215 8.192 4.190 1.00 0.00 C ATOM 1031 OG SER A 65 -13.231 9.002 3.625 1.00 0.00 O ATOM 0 H SER A 65 -11.628 7.566 1.698 1.00 0.00 H new ATOM 0 HA SER A 65 -10.487 9.384 3.729 1.00 0.00 H new ATOM 0 HB2 SER A 65 -12.505 7.143 4.128 1.00 0.00 H new ATOM 0 HB3 SER A 65 -12.103 8.429 5.248 1.00 0.00 H new ATOM 0 HG SER A 65 -14.074 8.849 4.101 1.00 0.00 H new ATOM 1037 N ILE A 66 -9.220 7.602 5.046 1.00 0.00 N ATOM 1038 CA ILE A 66 -8.233 6.674 5.584 1.00 0.00 C ATOM 1039 C ILE A 66 -8.874 5.337 5.939 1.00 0.00 C ATOM 1040 O ILE A 66 -8.277 4.278 5.744 1.00 0.00 O ATOM 1041 CB ILE A 66 -7.545 7.251 6.836 1.00 0.00 C ATOM 1042 CG1 ILE A 66 -7.197 8.725 6.624 1.00 0.00 C ATOM 1043 CG2 ILE A 66 -6.295 6.448 7.170 1.00 0.00 C ATOM 1044 CD1 ILE A 66 -5.799 8.946 6.088 1.00 0.00 C ATOM 0 H ILE A 66 -9.353 8.446 5.603 1.00 0.00 H new ATOM 0 HA ILE A 66 -7.485 6.520 4.807 1.00 0.00 H new ATOM 0 HB ILE A 66 -8.236 7.180 7.676 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -7.916 9.164 5.932 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -7.302 9.254 7.571 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -5.819 6.867 8.057 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -6.569 5.411 7.361 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -5.600 6.491 6.331 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -5.622 10.014 5.963 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -5.072 8.538 6.790 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -5.695 8.446 5.125 1.00 0.00 H new ATOM 1056 N PRO A 67 -10.106 5.375 6.468 1.00 0.00 N ATOM 1057 CA PRO A 67 -10.839 4.166 6.855 1.00 0.00 C ATOM 1058 C PRO A 67 -10.900 3.142 5.728 1.00 0.00 C ATOM 1059 O PRO A 67 -10.258 2.094 5.793 1.00 0.00 O ATOM 1060 CB PRO A 67 -12.240 4.689 7.182 1.00 0.00 C ATOM 1061 CG PRO A 67 -12.034 6.115 7.560 1.00 0.00 C ATOM 1062 CD PRO A 67 -10.879 6.601 6.728 1.00 0.00 C ATOM 0 HA PRO A 67 -10.361 3.646 7.685 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -12.906 4.599 6.324 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -12.693 4.125 7.997 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -12.930 6.704 7.365 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -11.816 6.209 8.624 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -11.218 7.066 5.802 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -10.286 7.345 7.260 1.00 0.00 H new ATOM 1070 N ASP A 68 -11.675 3.451 4.693 1.00 0.00 N ATOM 1071 CA ASP A 68 -11.815 2.555 3.551 1.00 0.00 C ATOM 1072 C ASP A 68 -10.451 2.195 2.975 1.00 0.00 C ATOM 1073 O ASP A 68 -10.307 1.205 2.259 1.00 0.00 O ATOM 1074 CB ASP A 68 -12.684 3.203 2.471 1.00 0.00 C ATOM 1075 CG ASP A 68 -14.106 2.677 2.480 1.00 0.00 C ATOM 1076 OD1 ASP A 68 -14.337 1.578 1.934 1.00 0.00 O ATOM 1077 OD2 ASP A 68 -14.990 3.366 3.032 1.00 0.00 O ATOM 0 H ASP A 68 -12.215 4.314 4.622 1.00 0.00 H new ATOM 0 HA ASP A 68 -12.298 1.640 3.894 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -12.698 4.283 2.619 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -12.239 3.021 1.493 1.00 0.00 H new ATOM 1082 N ALA A 69 -9.451 3.008 3.297 1.00 0.00 N ATOM 1083 CA ALA A 69 -8.095 2.782 2.816 1.00 0.00 C ATOM 1084 C ALA A 69 -7.525 1.482 3.367 1.00 0.00 C ATOM 1085 O ALA A 69 -7.612 0.431 2.731 1.00 0.00 O ATOM 1086 CB ALA A 69 -7.200 3.953 3.193 1.00 0.00 C ATOM 0 H ALA A 69 -9.555 3.831 3.890 1.00 0.00 H new ATOM 0 HA ALA A 69 -8.132 2.700 1.730 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -6.189 3.771 2.827 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -7.589 4.867 2.745 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -7.180 4.061 4.277 1.00 0.00 H new ATOM 1092 N VAL A 70 -6.939 1.566 4.552 1.00 0.00 N ATOM 1093 CA VAL A 70 -6.347 0.402 5.199 1.00 0.00 C ATOM 1094 C VAL A 70 -7.413 -0.624 5.569 1.00 0.00 C ATOM 1095 O VAL A 70 -7.102 -1.780 5.854 1.00 0.00 O ATOM 1096 CB VAL A 70 -5.572 0.800 6.468 1.00 0.00 C ATOM 1097 CG1 VAL A 70 -6.500 1.451 7.482 1.00 0.00 C ATOM 1098 CG2 VAL A 70 -4.880 -0.413 7.072 1.00 0.00 C ATOM 0 H VAL A 70 -6.860 2.431 5.087 1.00 0.00 H new ATOM 0 HA VAL A 70 -5.655 -0.040 4.482 1.00 0.00 H new ATOM 0 HB VAL A 70 -4.809 1.527 6.191 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -5.932 1.725 8.371 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -6.945 2.345 7.046 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -7.288 0.750 7.756 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -4.337 -0.113 7.968 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -5.625 -1.164 7.333 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -4.181 -0.832 6.348 1.00 0.00 H new ATOM 1108 N GLU A 71 -8.669 -0.193 5.567 1.00 0.00 N ATOM 1109 CA GLU A 71 -9.779 -1.073 5.905 1.00 0.00 C ATOM 1110 C GLU A 71 -9.988 -2.132 4.826 1.00 0.00 C ATOM 1111 O GLU A 71 -10.031 -3.327 5.117 1.00 0.00 O ATOM 1112 CB GLU A 71 -11.063 -0.261 6.092 1.00 0.00 C ATOM 1113 CG GLU A 71 -11.102 0.522 7.394 1.00 0.00 C ATOM 1114 CD GLU A 71 -11.235 -0.374 8.610 1.00 0.00 C ATOM 1115 OE1 GLU A 71 -12.314 -0.977 8.787 1.00 0.00 O ATOM 1116 OE2 GLU A 71 -10.260 -0.473 9.384 1.00 0.00 O ATOM 0 H GLU A 71 -8.943 0.762 5.335 1.00 0.00 H new ATOM 0 HA GLU A 71 -9.535 -1.578 6.840 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -11.170 0.432 5.257 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -11.918 -0.936 6.058 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -10.193 1.117 7.483 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -11.939 1.220 7.369 1.00 0.00 H new ATOM 1123 N TYR A 72 -10.120 -1.684 3.582 1.00 0.00 N ATOM 1124 CA TYR A 72 -10.328 -2.592 2.461 1.00 0.00 C ATOM 1125 C TYR A 72 -9.121 -3.497 2.261 1.00 0.00 C ATOM 1126 O TYR A 72 -9.252 -4.715 2.134 1.00 0.00 O ATOM 1127 CB TYR A 72 -10.601 -1.804 1.180 1.00 0.00 C ATOM 1128 CG TYR A 72 -9.545 -2.001 0.115 1.00 0.00 C ATOM 1129 CD1 TYR A 72 -8.298 -1.399 0.228 1.00 0.00 C ATOM 1130 CD2 TYR A 72 -9.792 -2.794 -0.999 1.00 0.00 C ATOM 1131 CE1 TYR A 72 -7.329 -1.580 -0.739 1.00 0.00 C ATOM 1132 CE2 TYR A 72 -8.827 -2.979 -1.970 1.00 0.00 C ATOM 1133 CZ TYR A 72 -7.597 -2.370 -1.836 1.00 0.00 C ATOM 1134 OH TYR A 72 -6.634 -2.553 -2.800 1.00 0.00 O ATOM 0 H TYR A 72 -10.087 -0.697 3.325 1.00 0.00 H new ATOM 0 HA TYR A 72 -11.194 -3.214 2.690 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -11.570 -2.101 0.779 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -10.668 -0.743 1.422 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -8.083 -0.779 1.086 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -10.754 -3.273 -1.107 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -6.365 -1.104 -0.636 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -9.035 -3.598 -2.830 1.00 0.00 H new ATOM 0 HH TYR A 72 -6.817 -1.963 -3.561 1.00 0.00 H new ATOM 1144 N ILE A 73 -7.947 -2.887 2.231 1.00 0.00 N ATOM 1145 CA ILE A 73 -6.704 -3.623 2.042 1.00 0.00 C ATOM 1146 C ILE A 73 -6.441 -4.564 3.210 1.00 0.00 C ATOM 1147 O ILE A 73 -5.869 -5.642 3.040 1.00 0.00 O ATOM 1148 CB ILE A 73 -5.500 -2.672 1.872 1.00 0.00 C ATOM 1149 CG1 ILE A 73 -4.341 -3.111 2.766 1.00 0.00 C ATOM 1150 CG2 ILE A 73 -5.900 -1.239 2.188 1.00 0.00 C ATOM 1151 CD1 ILE A 73 -4.432 -2.575 4.179 1.00 0.00 C ATOM 0 H ILE A 73 -7.827 -1.879 2.335 1.00 0.00 H new ATOM 0 HA ILE A 73 -6.819 -4.207 1.129 1.00 0.00 H new ATOM 0 HB ILE A 73 -5.173 -2.717 0.833 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -4.311 -4.200 2.800 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -3.403 -2.780 2.320 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -5.038 -0.584 2.062 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -6.695 -0.926 1.512 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -6.254 -1.179 3.217 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -3.577 -2.926 4.757 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -4.431 -1.485 4.156 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -5.353 -2.927 4.643 1.00 0.00 H new ATOM 1163 N ALA A 74 -6.863 -4.151 4.395 1.00 0.00 N ATOM 1164 CA ALA A 74 -6.677 -4.959 5.590 1.00 0.00 C ATOM 1165 C ALA A 74 -7.475 -6.249 5.500 1.00 0.00 C ATOM 1166 O ALA A 74 -6.952 -7.340 5.731 1.00 0.00 O ATOM 1167 CB ALA A 74 -7.077 -4.172 6.829 1.00 0.00 C ATOM 0 H ALA A 74 -7.336 -3.262 4.555 1.00 0.00 H new ATOM 0 HA ALA A 74 -5.621 -5.217 5.667 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -6.932 -4.790 7.715 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -6.460 -3.277 6.906 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -8.126 -3.885 6.755 1.00 0.00 H new ATOM 1173 N GLN A 75 -8.744 -6.114 5.151 1.00 0.00 N ATOM 1174 CA GLN A 75 -9.630 -7.259 5.022 1.00 0.00 C ATOM 1175 C GLN A 75 -9.402 -7.967 3.697 1.00 0.00 C ATOM 1176 O GLN A 75 -8.693 -8.974 3.630 1.00 0.00 O ATOM 1177 CB GLN A 75 -11.090 -6.816 5.133 1.00 0.00 C ATOM 1178 CG GLN A 75 -11.381 -5.989 6.375 1.00 0.00 C ATOM 1179 CD GLN A 75 -12.498 -4.987 6.157 1.00 0.00 C ATOM 1180 OE1 GLN A 75 -13.660 -5.360 5.997 1.00 0.00 O ATOM 1181 NE2 GLN A 75 -12.150 -3.705 6.150 1.00 0.00 N ATOM 0 H GLN A 75 -9.186 -5.217 4.951 1.00 0.00 H new ATOM 0 HA GLN A 75 -9.408 -7.955 5.831 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -11.353 -6.234 4.249 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -11.730 -7.698 5.136 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -11.649 -6.654 7.196 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -10.476 -5.460 6.676 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -11.174 -3.441 6.287 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -12.858 -2.985 6.008 1.00 0.00 H new ATOM 1190 N ASN A 76 -9.998 -7.435 2.645 1.00 0.00 N ATOM 1191 CA ASN A 76 -9.851 -8.017 1.321 1.00 0.00 C ATOM 1192 C ASN A 76 -8.543 -8.799 1.241 1.00 0.00 C ATOM 1193 O ASN A 76 -8.548 -10.029 1.222 1.00 0.00 O ATOM 1194 CB ASN A 76 -9.891 -6.929 0.247 1.00 0.00 C ATOM 1195 CG ASN A 76 -11.260 -6.787 -0.384 1.00 0.00 C ATOM 1196 OD1 ASN A 76 -11.833 -7.758 -0.881 1.00 0.00 O ATOM 1197 ND2 ASN A 76 -11.796 -5.572 -0.369 1.00 0.00 N ATOM 0 H ASN A 76 -10.587 -6.603 2.680 1.00 0.00 H new ATOM 0 HA ASN A 76 -10.682 -8.699 1.143 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -9.597 -5.977 0.688 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -9.160 -7.160 -0.527 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -12.717 -5.416 -0.779 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -11.287 -4.795 0.053 1.00 0.00 H new ATOM 1204 N PRO A 77 -7.400 -8.093 1.202 1.00 0.00 N ATOM 1205 CA PRO A 77 -6.082 -8.733 1.134 1.00 0.00 C ATOM 1206 C PRO A 77 -5.850 -9.708 2.286 1.00 0.00 C ATOM 1207 O PRO A 77 -5.210 -10.744 2.112 1.00 0.00 O ATOM 1208 CB PRO A 77 -5.105 -7.557 1.224 1.00 0.00 C ATOM 1209 CG PRO A 77 -5.888 -6.376 0.769 1.00 0.00 C ATOM 1210 CD PRO A 77 -7.299 -6.623 1.222 1.00 0.00 C ATOM 0 HA PRO A 77 -5.967 -9.329 0.229 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -4.742 -7.422 2.243 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -4.231 -7.719 0.593 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -5.494 -5.456 1.200 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -5.838 -6.267 -0.314 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -7.480 -6.219 2.218 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -8.025 -6.159 0.554 1.00 0.00 H new ATOM 1218 N MET A 78 -6.376 -9.375 3.466 1.00 0.00 N ATOM 1219 CA MET A 78 -6.219 -10.234 4.635 1.00 0.00 C ATOM 1220 C MET A 78 -6.674 -11.657 4.330 1.00 0.00 C ATOM 1221 O MET A 78 -6.314 -12.599 5.035 1.00 0.00 O ATOM 1222 CB MET A 78 -7.014 -9.678 5.817 1.00 0.00 C ATOM 1223 CG MET A 78 -7.614 -10.755 6.706 1.00 0.00 C ATOM 1224 SD MET A 78 -7.978 -10.160 8.369 1.00 0.00 S ATOM 1225 CE MET A 78 -8.751 -11.608 9.086 1.00 0.00 C ATOM 0 H MET A 78 -6.910 -8.523 3.634 1.00 0.00 H new ATOM 0 HA MET A 78 -5.161 -10.256 4.896 1.00 0.00 H new ATOM 0 HB2 MET A 78 -6.361 -9.045 6.418 1.00 0.00 H new ATOM 0 HB3 MET A 78 -7.815 -9.043 5.439 1.00 0.00 H new ATOM 0 HG2 MET A 78 -8.530 -11.129 6.249 1.00 0.00 H new ATOM 0 HG3 MET A 78 -6.923 -11.596 6.768 1.00 0.00 H new ATOM 0 HE1 MET A 78 -9.034 -11.397 10.117 1.00 0.00 H new ATOM 0 HE2 MET A 78 -9.640 -11.868 8.512 1.00 0.00 H new ATOM 0 HE3 MET A 78 -8.050 -12.442 9.066 1.00 0.00 H new ATOM 1235 N ALA A 79 -7.468 -11.803 3.275 1.00 0.00 N ATOM 1236 CA ALA A 79 -7.972 -13.103 2.876 1.00 0.00 C ATOM 1237 C ALA A 79 -7.889 -13.291 1.365 1.00 0.00 C ATOM 1238 O ALA A 79 -8.452 -14.239 0.817 1.00 0.00 O ATOM 1239 CB ALA A 79 -9.403 -13.289 3.359 1.00 0.00 C ATOM 0 H ALA A 79 -7.775 -11.032 2.682 1.00 0.00 H new ATOM 0 HA ALA A 79 -7.344 -13.863 3.341 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -9.766 -14.270 3.051 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -9.432 -13.216 4.446 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -10.037 -12.515 2.926 1.00 0.00 H new ATOM 1245 N LYS A 80 -7.185 -12.384 0.698 1.00 0.00 N ATOM 1246 CA LYS A 80 -7.029 -12.451 -0.751 1.00 0.00 C ATOM 1247 C LYS A 80 -8.120 -13.314 -1.376 1.00 0.00 C ATOM 1248 O LYS A 80 -9.075 -12.741 -1.941 1.00 0.00 O ATOM 1249 CB LYS A 80 -5.652 -13.011 -1.111 1.00 0.00 C ATOM 1250 CG LYS A 80 -4.503 -12.090 -0.733 1.00 0.00 C ATOM 1251 CD LYS A 80 -3.884 -12.489 0.596 1.00 0.00 C ATOM 1252 CE LYS A 80 -3.067 -13.765 0.468 1.00 0.00 C ATOM 1253 NZ LYS A 80 -2.866 -14.430 1.786 1.00 0.00 N ATOM 1254 OXT LYS A 80 -8.011 -14.556 -1.296 1.00 0.00 O ATOM 0 H LYS A 80 -6.713 -11.593 1.137 1.00 0.00 H new ATOM 0 HA LYS A 80 -7.118 -11.440 -1.148 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -5.517 -13.970 -0.611 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -5.616 -13.202 -2.183 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -3.742 -12.117 -1.513 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -4.863 -11.063 -0.674 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -3.247 -11.682 0.959 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -4.671 -12.632 1.337 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -3.571 -14.452 -0.212 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -2.098 -13.533 0.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -2.305 -15.296 1.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -2.363 -13.784 2.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -3.790 -14.675 2.196 1.00 0.00 H new