USER MOD reduce.3.24.130724 H: found=0, std=0, add=615, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 614 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 35 THR OG1 : rot -64:sc= 0.269 USER MOD Set 1.2: A 37 ASN : amide:sc= 1.07 K(o=1.3,f=0.23) USER MOD Set 1.3: A 59 ASN :FLIP amide:sc= -0.0458 F(o=0.29,f=1.3) USER MOD Single : A 1 SER N :NH3+ 152:sc= 0.00779 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0.00717 USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= 0.625 K(o=0.62,f=0) USER MOD Single : A 23 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 29 GLN : amide:sc= 0.853 K(o=0.85,f=-0.00078) USER MOD Single : A 33 TYR OH : rot -166:sc= 0.499 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 CYS SG : rot 180:sc= -1.43 USER MOD Single : A 61 MET CE :methyl 174:sc= 0 (180deg=-0.0357) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 154:sc= 0.813 (180deg=0.502) USER MOD Single : A 75 LYS NZ :NH3+ -162:sc= 1.3 (180deg=1.07) USER MOD Single : A 77 LYS NZ :NH3+ -162:sc= 1.22 (180deg=1.18) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 12.676 -4.588 -19.912 1.00 0.00 N ATOM 2 CA SER A 1 11.787 -3.534 -20.456 1.00 0.00 C ATOM 3 C SER A 1 10.620 -3.257 -19.506 1.00 0.00 C ATOM 4 O SER A 1 9.960 -4.195 -19.060 1.00 0.00 O ATOM 5 CB SER A 1 11.258 -3.925 -21.839 1.00 0.00 C ATOM 6 OG SER A 1 12.356 -4.155 -22.709 1.00 0.00 O ATOM 0 H1 SER A 1 13.142 -5.088 -20.696 1.00 0.00 H new ATOM 0 H2 SER A 1 13.397 -4.153 -19.302 1.00 0.00 H new ATOM 0 H3 SER A 1 12.114 -5.264 -19.356 1.00 0.00 H new ATOM 0 HA SER A 1 12.377 -2.623 -20.554 1.00 0.00 H new ATOM 0 HB2 SER A 1 10.642 -4.821 -21.766 1.00 0.00 H new ATOM 0 HB3 SER A 1 10.623 -3.133 -22.236 1.00 0.00 H new ATOM 0 HG SER A 1 12.024 -4.407 -23.596 1.00 0.00 H new ATOM 14 N MET A 2 10.305 -2.004 -19.156 1.00 0.00 N ATOM 15 CA MET A 2 10.990 -0.739 -19.488 1.00 0.00 C ATOM 16 C MET A 2 10.827 0.303 -18.361 1.00 0.00 C ATOM 17 O MET A 2 9.923 0.191 -17.527 1.00 0.00 O ATOM 18 CB MET A 2 10.471 -0.178 -20.828 1.00 0.00 C ATOM 19 CG MET A 2 8.968 0.133 -20.837 1.00 0.00 C ATOM 20 SD MET A 2 8.368 0.781 -22.422 1.00 0.00 S ATOM 21 CE MET A 2 6.617 1.009 -22.008 1.00 0.00 C ATOM 0 H MET A 2 9.484 -1.828 -18.576 1.00 0.00 H new ATOM 0 HA MET A 2 12.054 -0.953 -19.589 1.00 0.00 H new ATOM 0 HB2 MET A 2 11.021 0.733 -21.066 1.00 0.00 H new ATOM 0 HB3 MET A 2 10.687 -0.897 -21.619 1.00 0.00 H new ATOM 0 HG2 MET A 2 8.416 -0.775 -20.593 1.00 0.00 H new ATOM 0 HG3 MET A 2 8.751 0.858 -20.052 1.00 0.00 H new ATOM 0 HE1 MET A 2 6.087 1.405 -22.874 1.00 0.00 H new ATOM 0 HE2 MET A 2 6.183 0.051 -21.724 1.00 0.00 H new ATOM 0 HE3 MET A 2 6.528 1.708 -21.177 1.00 0.00 H new ATOM 31 N ALA A 3 11.693 1.320 -18.346 1.00 0.00 N ATOM 32 CA ALA A 3 11.691 2.422 -17.376 1.00 0.00 C ATOM 33 C ALA A 3 12.120 3.761 -18.017 1.00 0.00 C ATOM 34 O ALA A 3 12.739 3.787 -19.084 1.00 0.00 O ATOM 35 CB ALA A 3 12.609 2.042 -16.205 1.00 0.00 C ATOM 0 H ALA A 3 12.442 1.403 -19.033 1.00 0.00 H new ATOM 0 HA ALA A 3 10.675 2.575 -17.013 1.00 0.00 H new ATOM 0 HB1 ALA A 3 12.620 2.850 -15.474 1.00 0.00 H new ATOM 0 HB2 ALA A 3 12.240 1.131 -15.734 1.00 0.00 H new ATOM 0 HB3 ALA A 3 13.620 1.874 -16.575 1.00 0.00 H new ATOM 41 N ASP A 4 11.804 4.876 -17.352 1.00 0.00 N ATOM 42 CA ASP A 4 12.170 6.244 -17.755 1.00 0.00 C ATOM 43 C ASP A 4 12.447 7.135 -16.519 1.00 0.00 C ATOM 44 O ASP A 4 12.198 6.734 -15.379 1.00 0.00 O ATOM 45 CB ASP A 4 11.053 6.815 -18.654 1.00 0.00 C ATOM 46 CG ASP A 4 11.463 8.056 -19.470 1.00 0.00 C ATOM 47 OD1 ASP A 4 12.677 8.370 -19.550 1.00 0.00 O ATOM 48 OD2 ASP A 4 10.569 8.726 -20.035 1.00 0.00 O ATOM 0 H ASP A 4 11.266 4.854 -16.486 1.00 0.00 H new ATOM 0 HA ASP A 4 13.098 6.225 -18.327 1.00 0.00 H new ATOM 0 HB2 ASP A 4 10.723 6.036 -19.342 1.00 0.00 H new ATOM 0 HB3 ASP A 4 10.197 7.072 -18.030 1.00 0.00 H new ATOM 53 N ARG A 5 12.963 8.353 -16.731 1.00 0.00 N ATOM 54 CA ARG A 5 13.481 9.282 -15.696 1.00 0.00 C ATOM 55 C ARG A 5 12.430 10.057 -14.883 1.00 0.00 C ATOM 56 O ARG A 5 12.717 11.085 -14.267 1.00 0.00 O ATOM 57 CB ARG A 5 14.481 10.219 -16.379 1.00 0.00 C ATOM 58 CG ARG A 5 13.835 11.318 -17.254 1.00 0.00 C ATOM 59 CD ARG A 5 14.644 11.607 -18.524 1.00 0.00 C ATOM 60 NE ARG A 5 14.464 10.517 -19.499 1.00 0.00 N ATOM 61 CZ ARG A 5 15.200 10.199 -20.541 1.00 0.00 C ATOM 62 NH1 ARG A 5 16.246 10.883 -20.912 1.00 0.00 N ATOM 63 NH2 ARG A 5 14.857 9.148 -21.222 1.00 0.00 N ATOM 0 H ARG A 5 13.038 8.744 -17.670 1.00 0.00 H new ATOM 0 HA ARG A 5 13.955 8.670 -14.928 1.00 0.00 H new ATOM 0 HB2 ARG A 5 15.094 10.695 -15.614 1.00 0.00 H new ATOM 0 HB3 ARG A 5 15.151 9.625 -17.000 1.00 0.00 H new ATOM 0 HG2 ARG A 5 12.826 11.011 -17.531 1.00 0.00 H new ATOM 0 HG3 ARG A 5 13.741 12.234 -16.671 1.00 0.00 H new ATOM 0 HD2 ARG A 5 14.324 12.553 -18.961 1.00 0.00 H new ATOM 0 HD3 ARG A 5 15.700 11.712 -18.276 1.00 0.00 H new ATOM 0 HE ARG A 5 13.650 9.923 -19.343 1.00 0.00 H new ATOM 0 HH11 ARG A 5 16.528 11.709 -20.385 1.00 0.00 H new ATOM 0 HH12 ARG A 5 16.782 10.592 -21.729 1.00 0.00 H new ATOM 0 HH21 ARG A 5 14.042 8.602 -20.942 1.00 0.00 H new ATOM 0 HH22 ARG A 5 15.402 8.868 -22.037 1.00 0.00 H new ATOM 77 N VAL A 6 11.213 9.538 -14.890 1.00 0.00 N ATOM 78 CA VAL A 6 9.985 10.083 -14.298 1.00 0.00 C ATOM 79 C VAL A 6 9.144 8.986 -13.634 1.00 0.00 C ATOM 80 O VAL A 6 9.170 7.824 -14.048 1.00 0.00 O ATOM 81 CB VAL A 6 9.139 10.818 -15.358 1.00 0.00 C ATOM 82 CG1 VAL A 6 9.771 12.157 -15.756 1.00 0.00 C ATOM 83 CG2 VAL A 6 8.884 10.001 -16.634 1.00 0.00 C ATOM 0 H VAL A 6 11.035 8.645 -15.349 1.00 0.00 H new ATOM 0 HA VAL A 6 10.289 10.795 -13.531 1.00 0.00 H new ATOM 0 HB VAL A 6 8.178 10.981 -14.871 1.00 0.00 H new ATOM 0 HG11 VAL A 6 9.147 12.646 -16.504 1.00 0.00 H new ATOM 0 HG12 VAL A 6 9.852 12.797 -14.877 1.00 0.00 H new ATOM 0 HG13 VAL A 6 10.764 11.982 -16.170 1.00 0.00 H new ATOM 0 HG21 VAL A 6 8.283 10.588 -17.328 1.00 0.00 H new ATOM 0 HG22 VAL A 6 9.836 9.750 -17.102 1.00 0.00 H new ATOM 0 HG23 VAL A 6 8.352 9.084 -16.379 1.00 0.00 H new ATOM 93 N LEU A 7 8.364 9.360 -12.616 1.00 0.00 N ATOM 94 CA LEU A 7 7.405 8.473 -11.944 1.00 0.00 C ATOM 95 C LEU A 7 6.147 8.246 -12.804 1.00 0.00 C ATOM 96 O LEU A 7 5.774 9.098 -13.619 1.00 0.00 O ATOM 97 CB LEU A 7 7.038 9.043 -10.559 1.00 0.00 C ATOM 98 CG LEU A 7 8.217 9.204 -9.577 1.00 0.00 C ATOM 99 CD1 LEU A 7 7.711 9.803 -8.264 1.00 0.00 C ATOM 100 CD2 LEU A 7 8.907 7.875 -9.258 1.00 0.00 C ATOM 0 H LEU A 7 8.380 10.303 -12.228 1.00 0.00 H new ATOM 0 HA LEU A 7 7.878 7.501 -11.806 1.00 0.00 H new ATOM 0 HB2 LEU A 7 6.568 10.016 -10.698 1.00 0.00 H new ATOM 0 HB3 LEU A 7 6.293 8.391 -10.102 1.00 0.00 H new ATOM 0 HG LEU A 7 8.942 9.858 -10.061 1.00 0.00 H new ATOM 0 HD11 LEU A 7 8.544 9.916 -7.571 1.00 0.00 H new ATOM 0 HD12 LEU A 7 7.264 10.778 -8.457 1.00 0.00 H new ATOM 0 HD13 LEU A 7 6.963 9.142 -7.827 1.00 0.00 H new ATOM 0 HD21 LEU A 7 9.728 8.049 -8.563 1.00 0.00 H new ATOM 0 HD22 LEU A 7 8.188 7.191 -8.807 1.00 0.00 H new ATOM 0 HD23 LEU A 7 9.296 7.437 -10.177 1.00 0.00 H new ATOM 112 N ARG A 8 5.469 7.107 -12.611 1.00 0.00 N ATOM 113 CA ARG A 8 4.222 6.751 -13.316 1.00 0.00 C ATOM 114 C ARG A 8 3.041 7.608 -12.835 1.00 0.00 C ATOM 115 O ARG A 8 2.858 7.803 -11.633 1.00 0.00 O ATOM 116 CB ARG A 8 3.964 5.241 -13.151 1.00 0.00 C ATOM 117 CG ARG A 8 2.783 4.738 -14.003 1.00 0.00 C ATOM 118 CD ARG A 8 2.621 3.213 -13.930 1.00 0.00 C ATOM 119 NE ARG A 8 2.216 2.756 -12.583 1.00 0.00 N ATOM 120 CZ ARG A 8 2.103 1.503 -12.177 1.00 0.00 C ATOM 121 NH1 ARG A 8 2.348 0.493 -12.965 1.00 0.00 N ATOM 122 NH2 ARG A 8 1.737 1.237 -10.957 1.00 0.00 N ATOM 0 H ARG A 8 5.774 6.392 -11.950 1.00 0.00 H new ATOM 0 HA ARG A 8 4.330 6.965 -14.379 1.00 0.00 H new ATOM 0 HB2 ARG A 8 4.864 4.692 -13.426 1.00 0.00 H new ATOM 0 HB3 ARG A 8 3.767 5.024 -12.101 1.00 0.00 H new ATOM 0 HG2 ARG A 8 1.864 5.216 -13.664 1.00 0.00 H new ATOM 0 HG3 ARG A 8 2.933 5.036 -15.041 1.00 0.00 H new ATOM 0 HD2 ARG A 8 1.876 2.894 -14.659 1.00 0.00 H new ATOM 0 HD3 ARG A 8 3.562 2.736 -14.206 1.00 0.00 H new ATOM 0 HE ARG A 8 2.002 3.481 -11.898 1.00 0.00 H new ATOM 0 HH11 ARG A 8 2.637 0.657 -13.929 1.00 0.00 H new ATOM 0 HH12 ARG A 8 2.250 -0.461 -12.617 1.00 0.00 H new ATOM 0 HH21 ARG A 8 1.535 1.997 -10.308 1.00 0.00 H new ATOM 0 HH22 ARG A 8 1.652 0.268 -10.650 1.00 0.00 H new ATOM 136 N GLY A 9 2.239 8.107 -13.777 1.00 0.00 N ATOM 137 CA GLY A 9 1.081 8.973 -13.526 1.00 0.00 C ATOM 138 C GLY A 9 0.668 9.778 -14.765 1.00 0.00 C ATOM 139 O GLY A 9 1.088 9.473 -15.884 1.00 0.00 O ATOM 0 H GLY A 9 2.380 7.914 -14.769 1.00 0.00 H new ATOM 0 HA2 GLY A 9 0.240 8.363 -13.197 1.00 0.00 H new ATOM 0 HA3 GLY A 9 1.315 9.660 -12.712 1.00 0.00 H new ATOM 143 N SER A 10 -0.131 10.832 -14.566 1.00 0.00 N ATOM 144 CA SER A 10 -0.511 11.774 -15.633 1.00 0.00 C ATOM 145 C SER A 10 0.682 12.627 -16.102 1.00 0.00 C ATOM 146 O SER A 10 1.677 12.784 -15.383 1.00 0.00 O ATOM 147 CB SER A 10 -1.686 12.648 -15.182 1.00 0.00 C ATOM 148 OG SER A 10 -2.235 13.324 -16.301 1.00 0.00 O ATOM 0 H SER A 10 -0.536 11.060 -13.658 1.00 0.00 H new ATOM 0 HA SER A 10 -0.832 11.189 -16.495 1.00 0.00 H new ATOM 0 HB2 SER A 10 -2.449 12.032 -14.707 1.00 0.00 H new ATOM 0 HB3 SER A 10 -1.350 13.370 -14.437 1.00 0.00 H new ATOM 0 HG SER A 10 -2.987 13.881 -16.010 1.00 0.00 H new ATOM 154 N ARG A 11 0.624 13.146 -17.334 1.00 0.00 N ATOM 155 CA ARG A 11 1.729 13.834 -18.037 1.00 0.00 C ATOM 156 C ARG A 11 1.400 15.316 -18.269 1.00 0.00 C ATOM 157 O ARG A 11 1.149 15.751 -19.395 1.00 0.00 O ATOM 158 CB ARG A 11 2.090 13.075 -19.335 1.00 0.00 C ATOM 159 CG ARG A 11 2.419 11.574 -19.189 1.00 0.00 C ATOM 160 CD ARG A 11 3.744 11.254 -18.478 1.00 0.00 C ATOM 161 NE ARG A 11 3.641 11.429 -17.016 1.00 0.00 N ATOM 162 CZ ARG A 11 4.310 10.807 -16.068 1.00 0.00 C ATOM 163 NH1 ARG A 11 5.237 9.925 -16.303 1.00 0.00 N ATOM 164 NH2 ARG A 11 4.049 11.066 -14.823 1.00 0.00 N ATOM 0 H ARG A 11 -0.225 13.100 -17.897 1.00 0.00 H new ATOM 0 HA ARG A 11 2.619 13.823 -17.407 1.00 0.00 H new ATOM 0 HB2 ARG A 11 1.257 13.175 -20.031 1.00 0.00 H new ATOM 0 HB3 ARG A 11 2.948 13.569 -19.791 1.00 0.00 H new ATOM 0 HG2 ARG A 11 1.608 11.093 -18.642 1.00 0.00 H new ATOM 0 HG3 ARG A 11 2.442 11.127 -20.183 1.00 0.00 H new ATOM 0 HD2 ARG A 11 4.037 10.228 -18.701 1.00 0.00 H new ATOM 0 HD3 ARG A 11 4.530 11.902 -18.867 1.00 0.00 H new ATOM 0 HE ARG A 11 2.963 12.122 -16.699 1.00 0.00 H new ATOM 0 HH11 ARG A 11 5.479 9.683 -17.264 1.00 0.00 H new ATOM 0 HH12 ARG A 11 5.722 9.475 -15.526 1.00 0.00 H new ATOM 0 HH21 ARG A 11 3.329 11.748 -14.584 1.00 0.00 H new ATOM 0 HH22 ARG A 11 4.564 10.587 -14.084 1.00 0.00 H new ATOM 178 N LEU A 12 1.367 16.084 -17.177 1.00 0.00 N ATOM 179 CA LEU A 12 1.072 17.525 -17.181 1.00 0.00 C ATOM 180 C LEU A 12 2.184 18.330 -17.900 1.00 0.00 C ATOM 181 O LEU A 12 3.361 17.969 -17.835 1.00 0.00 O ATOM 182 CB LEU A 12 0.878 18.035 -15.737 1.00 0.00 C ATOM 183 CG LEU A 12 -0.507 17.760 -15.114 1.00 0.00 C ATOM 184 CD1 LEU A 12 -0.800 16.275 -14.893 1.00 0.00 C ATOM 185 CD2 LEU A 12 -0.599 18.458 -13.756 1.00 0.00 C ATOM 0 H LEU A 12 1.548 15.716 -16.243 1.00 0.00 H new ATOM 0 HA LEU A 12 0.146 17.677 -17.735 1.00 0.00 H new ATOM 0 HB2 LEU A 12 1.639 17.578 -15.104 1.00 0.00 H new ATOM 0 HB3 LEU A 12 1.056 19.110 -15.723 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.239 18.141 -15.826 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -1.791 16.161 -14.453 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -0.765 15.751 -15.848 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.053 15.853 -14.220 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.576 18.266 -13.313 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.180 18.075 -13.097 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.466 19.532 -13.889 1.00 0.00 H new ATOM 197 N GLY A 13 1.874 19.445 -18.566 1.00 0.00 N ATOM 198 CA GLY A 13 0.537 20.021 -18.764 1.00 0.00 C ATOM 199 C GLY A 13 0.542 21.274 -19.661 1.00 0.00 C ATOM 200 O GLY A 13 1.598 21.706 -20.127 1.00 0.00 O ATOM 0 H GLY A 13 2.597 20.009 -19.012 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -0.114 19.267 -19.207 1.00 0.00 H new ATOM 0 HA3 GLY A 13 0.112 20.278 -17.794 1.00 0.00 H new ATOM 204 N ALA A 14 -0.609 21.889 -19.944 1.00 0.00 N ATOM 205 CA ALA A 14 -1.960 21.545 -19.480 1.00 0.00 C ATOM 206 C ALA A 14 -3.012 21.686 -20.605 1.00 0.00 C ATOM 207 O ALA A 14 -2.749 22.282 -21.655 1.00 0.00 O ATOM 208 CB ALA A 14 -2.294 22.434 -18.273 1.00 0.00 C ATOM 0 H ALA A 14 -0.624 22.707 -20.553 1.00 0.00 H new ATOM 0 HA ALA A 14 -1.985 20.497 -19.182 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -3.294 22.196 -17.911 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -1.569 22.257 -17.479 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -2.256 23.482 -18.571 1.00 0.00 H new ATOM 214 N VAL A 15 -4.209 21.128 -20.389 1.00 0.00 N ATOM 215 CA VAL A 15 -5.309 21.107 -21.375 1.00 0.00 C ATOM 216 C VAL A 15 -5.912 22.491 -21.634 1.00 0.00 C ATOM 217 O VAL A 15 -5.955 23.352 -20.751 1.00 0.00 O ATOM 218 CB VAL A 15 -6.413 20.093 -20.997 1.00 0.00 C ATOM 219 CG1 VAL A 15 -5.850 18.676 -20.836 1.00 0.00 C ATOM 220 CG2 VAL A 15 -7.171 20.456 -19.712 1.00 0.00 C ATOM 0 H VAL A 15 -4.450 20.669 -19.511 1.00 0.00 H new ATOM 0 HA VAL A 15 -4.853 20.778 -22.309 1.00 0.00 H new ATOM 0 HB VAL A 15 -7.115 20.131 -21.830 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -6.656 17.992 -20.570 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -5.397 18.356 -21.774 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -5.096 18.671 -20.049 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -7.929 19.699 -19.511 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -6.472 20.500 -18.877 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -7.651 21.427 -19.835 1.00 0.00 H new ATOM 230 N SER A 16 -6.425 22.678 -22.851 1.00 0.00 N ATOM 231 CA SER A 16 -7.100 23.901 -23.322 1.00 0.00 C ATOM 232 C SER A 16 -8.543 23.648 -23.801 1.00 0.00 C ATOM 233 O SER A 16 -9.133 24.455 -24.524 1.00 0.00 O ATOM 234 CB SER A 16 -6.224 24.575 -24.383 1.00 0.00 C ATOM 235 OG SER A 16 -6.103 23.760 -25.540 1.00 0.00 O ATOM 0 H SER A 16 -6.383 21.955 -23.569 1.00 0.00 H new ATOM 0 HA SER A 16 -7.215 24.583 -22.480 1.00 0.00 H new ATOM 0 HB2 SER A 16 -6.655 25.538 -24.656 1.00 0.00 H new ATOM 0 HB3 SER A 16 -5.235 24.774 -23.970 1.00 0.00 H new ATOM 0 HG SER A 16 -5.541 24.213 -26.202 1.00 0.00 H new ATOM 241 N TYR A 17 -9.101 22.497 -23.417 1.00 0.00 N ATOM 242 CA TYR A 17 -10.340 21.888 -23.933 1.00 0.00 C ATOM 243 C TYR A 17 -11.099 21.070 -22.869 1.00 0.00 C ATOM 244 O TYR A 17 -11.938 20.220 -23.168 1.00 0.00 O ATOM 245 CB TYR A 17 -9.962 21.032 -25.144 1.00 0.00 C ATOM 246 CG TYR A 17 -8.752 20.133 -24.938 1.00 0.00 C ATOM 247 CD1 TYR A 17 -8.877 18.902 -24.266 1.00 0.00 C ATOM 248 CD2 TYR A 17 -7.487 20.564 -25.381 1.00 0.00 C ATOM 249 CE1 TYR A 17 -7.741 18.090 -24.069 1.00 0.00 C ATOM 250 CE2 TYR A 17 -6.346 19.771 -25.160 1.00 0.00 C ATOM 251 CZ TYR A 17 -6.474 18.520 -24.520 1.00 0.00 C ATOM 252 OH TYR A 17 -5.384 17.725 -24.338 1.00 0.00 O ATOM 0 H TYR A 17 -8.674 21.924 -22.689 1.00 0.00 H new ATOM 0 HA TYR A 17 -11.034 22.677 -24.223 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -10.817 20.411 -25.413 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -9.768 21.691 -25.990 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -9.842 18.580 -23.902 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -7.392 21.510 -25.894 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -7.840 17.136 -23.572 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -5.375 20.119 -25.479 1.00 0.00 H new ATOM 0 HH TYR A 17 -4.591 18.168 -24.706 1.00 0.00 H new ATOM 262 N GLU A 18 -10.765 21.318 -21.606 1.00 0.00 N ATOM 263 CA GLU A 18 -11.364 20.717 -20.398 1.00 0.00 C ATOM 264 C GLU A 18 -11.387 19.168 -20.408 1.00 0.00 C ATOM 265 O GLU A 18 -12.333 18.526 -19.946 1.00 0.00 O ATOM 266 CB GLU A 18 -12.723 21.389 -20.112 1.00 0.00 C ATOM 267 CG GLU A 18 -13.124 21.351 -18.631 1.00 0.00 C ATOM 268 CD GLU A 18 -14.467 22.071 -18.412 1.00 0.00 C ATOM 269 OE1 GLU A 18 -14.474 23.324 -18.337 1.00 0.00 O ATOM 270 OE2 GLU A 18 -15.519 21.395 -18.297 1.00 0.00 O ATOM 0 H GLU A 18 -10.026 21.982 -21.375 1.00 0.00 H new ATOM 0 HA GLU A 18 -10.713 20.926 -19.549 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -12.683 22.427 -20.443 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -13.495 20.895 -20.702 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -13.202 20.316 -18.297 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -12.349 21.824 -18.027 1.00 0.00 H new ATOM 277 N THR A 19 -10.331 18.564 -20.969 1.00 0.00 N ATOM 278 CA THR A 19 -10.141 17.103 -21.109 1.00 0.00 C ATOM 279 C THR A 19 -11.253 16.400 -21.921 1.00 0.00 C ATOM 280 O THR A 19 -11.436 15.184 -21.833 1.00 0.00 O ATOM 281 CB THR A 19 -9.847 16.418 -19.750 1.00 0.00 C ATOM 282 OG1 THR A 19 -9.133 17.277 -18.878 1.00 0.00 O ATOM 283 CG2 THR A 19 -8.961 15.174 -19.886 1.00 0.00 C ATOM 0 H THR A 19 -9.551 19.096 -21.355 1.00 0.00 H new ATOM 0 HA THR A 19 -9.245 16.980 -21.717 1.00 0.00 H new ATOM 0 HB THR A 19 -10.832 16.157 -19.363 1.00 0.00 H new ATOM 0 HG1 THR A 19 -8.965 16.816 -18.030 1.00 0.00 H new ATOM 0 HG21 THR A 19 -8.791 14.739 -18.901 1.00 0.00 H new ATOM 0 HG22 THR A 19 -9.456 14.443 -20.525 1.00 0.00 H new ATOM 0 HG23 THR A 19 -8.005 15.455 -20.329 1.00 0.00 H new ATOM 291 N ASP A 20 -12.001 17.142 -22.744 1.00 0.00 N ATOM 292 CA ASP A 20 -12.980 16.591 -23.690 1.00 0.00 C ATOM 293 C ASP A 20 -12.298 15.861 -24.870 1.00 0.00 C ATOM 294 O ASP A 20 -11.165 16.184 -25.247 1.00 0.00 O ATOM 295 CB ASP A 20 -13.902 17.720 -24.177 1.00 0.00 C ATOM 296 CG ASP A 20 -15.079 17.174 -24.997 1.00 0.00 C ATOM 297 OD1 ASP A 20 -16.073 16.706 -24.394 1.00 0.00 O ATOM 298 OD2 ASP A 20 -14.988 17.169 -26.246 1.00 0.00 O ATOM 0 H ASP A 20 -11.943 18.160 -22.773 1.00 0.00 H new ATOM 0 HA ASP A 20 -13.579 15.839 -23.176 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -14.282 18.276 -23.320 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -13.330 18.422 -24.784 1.00 0.00 H new ATOM 303 N ARG A 21 -12.991 14.888 -25.482 1.00 0.00 N ATOM 304 CA ARG A 21 -12.491 14.110 -26.636 1.00 0.00 C ATOM 305 C ARG A 21 -12.301 14.950 -27.912 1.00 0.00 C ATOM 306 O ARG A 21 -11.508 14.561 -28.771 1.00 0.00 O ATOM 307 CB ARG A 21 -13.420 12.912 -26.902 1.00 0.00 C ATOM 308 CG ARG A 21 -13.426 11.906 -25.738 1.00 0.00 C ATOM 309 CD ARG A 21 -14.300 10.688 -26.067 1.00 0.00 C ATOM 310 NE ARG A 21 -14.342 9.729 -24.944 1.00 0.00 N ATOM 311 CZ ARG A 21 -13.483 8.757 -24.681 1.00 0.00 C ATOM 312 NH1 ARG A 21 -12.435 8.529 -25.423 1.00 0.00 N ATOM 313 NH2 ARG A 21 -13.663 7.984 -23.648 1.00 0.00 N ATOM 0 H ARG A 21 -13.928 14.613 -25.188 1.00 0.00 H new ATOM 0 HA ARG A 21 -11.497 13.753 -26.367 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -14.434 13.273 -27.072 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -13.104 12.406 -27.814 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -12.407 11.581 -25.529 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -13.797 12.391 -24.835 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -15.312 11.018 -26.302 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -13.912 10.191 -26.956 1.00 0.00 H new ATOM 0 HE ARG A 21 -15.124 9.827 -24.296 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -12.253 9.111 -26.241 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -11.797 7.769 -25.185 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -14.468 8.127 -23.038 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -12.999 7.236 -23.449 1.00 0.00 H new ATOM 327 N ASN A 22 -12.977 16.098 -28.015 1.00 0.00 N ATOM 328 CA ASN A 22 -12.797 17.135 -29.038 1.00 0.00 C ATOM 329 C ASN A 22 -12.819 16.590 -30.487 1.00 0.00 C ATOM 330 O ASN A 22 -11.883 16.799 -31.267 1.00 0.00 O ATOM 331 CB ASN A 22 -11.565 17.994 -28.667 1.00 0.00 C ATOM 332 CG ASN A 22 -11.595 19.386 -29.284 1.00 0.00 C ATOM 333 OD1 ASN A 22 -11.763 20.389 -28.605 1.00 0.00 O ATOM 334 ND2 ASN A 22 -11.441 19.505 -30.582 1.00 0.00 N ATOM 0 H ASN A 22 -13.708 16.344 -27.347 1.00 0.00 H new ATOM 0 HA ASN A 22 -13.664 17.796 -29.039 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -11.508 18.086 -27.582 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -10.661 17.479 -28.992 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -11.462 20.428 -31.016 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -11.300 18.674 -31.157 1.00 0.00 H new ATOM 341 N HIS A 23 -13.886 15.870 -30.848 1.00 0.00 N ATOM 342 CA HIS A 23 -14.110 15.379 -32.218 1.00 0.00 C ATOM 343 C HIS A 23 -14.355 16.540 -33.200 1.00 0.00 C ATOM 344 O HIS A 23 -15.094 17.476 -32.883 1.00 0.00 O ATOM 345 CB HIS A 23 -15.289 14.397 -32.241 1.00 0.00 C ATOM 346 CG HIS A 23 -15.101 13.186 -31.358 1.00 0.00 C ATOM 347 ND1 HIS A 23 -15.770 12.948 -30.154 1.00 0.00 N ATOM 348 CD2 HIS A 23 -14.273 12.133 -31.619 1.00 0.00 C ATOM 349 CE1 HIS A 23 -15.335 11.750 -29.722 1.00 0.00 C ATOM 350 NE2 HIS A 23 -14.432 11.243 -30.579 1.00 0.00 N ATOM 0 H HIS A 23 -14.625 15.608 -30.196 1.00 0.00 H new ATOM 0 HA HIS A 23 -13.208 14.859 -32.541 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -16.192 14.923 -31.931 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -15.451 14.064 -33.266 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -13.621 12.020 -32.473 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -15.665 11.265 -28.815 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -13.947 10.351 -30.477 1.00 0.00 H new ATOM 358 N ASP A 24 -13.758 16.453 -34.397 1.00 0.00 N ATOM 359 CA ASP A 24 -13.699 17.517 -35.421 1.00 0.00 C ATOM 360 C ASP A 24 -13.066 18.847 -34.937 1.00 0.00 C ATOM 361 O ASP A 24 -12.686 19.002 -33.772 1.00 0.00 O ATOM 362 CB ASP A 24 -15.077 17.712 -36.090 1.00 0.00 C ATOM 363 CG ASP A 24 -15.597 16.423 -36.749 1.00 0.00 C ATOM 364 OD1 ASP A 24 -14.991 15.971 -37.752 1.00 0.00 O ATOM 365 OD2 ASP A 24 -16.623 15.866 -36.288 1.00 0.00 O ATOM 0 H ASP A 24 -13.280 15.603 -34.696 1.00 0.00 H new ATOM 0 HA ASP A 24 -13.002 17.166 -36.182 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -15.796 18.050 -35.344 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -15.005 18.498 -36.842 1.00 0.00 H new ATOM 370 N LEU A 25 -12.899 19.807 -35.857 1.00 0.00 N ATOM 371 CA LEU A 25 -12.309 21.129 -35.604 1.00 0.00 C ATOM 372 C LEU A 25 -13.191 22.260 -36.162 1.00 0.00 C ATOM 373 O LEU A 25 -13.733 22.157 -37.266 1.00 0.00 O ATOM 374 CB LEU A 25 -10.889 21.199 -36.206 1.00 0.00 C ATOM 375 CG LEU A 25 -9.844 20.272 -35.551 1.00 0.00 C ATOM 376 CD1 LEU A 25 -8.536 20.341 -36.342 1.00 0.00 C ATOM 377 CD2 LEU A 25 -9.534 20.666 -34.105 1.00 0.00 C ATOM 0 H LEU A 25 -13.180 19.681 -36.829 1.00 0.00 H new ATOM 0 HA LEU A 25 -12.245 21.268 -34.525 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -10.951 20.956 -37.267 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -10.533 22.227 -36.134 1.00 0.00 H new ATOM 0 HG LEU A 25 -10.267 19.267 -35.555 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -7.797 19.687 -35.880 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -8.714 20.020 -37.368 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -8.164 21.366 -36.342 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -8.793 19.981 -33.692 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -9.142 21.683 -34.081 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -10.446 20.615 -33.510 1.00 0.00 H new ATOM 389 N ALA A 26 -13.302 23.351 -35.400 1.00 0.00 N ATOM 390 CA ALA A 26 -14.004 24.589 -35.756 1.00 0.00 C ATOM 391 C ALA A 26 -13.404 25.796 -34.992 1.00 0.00 C ATOM 392 O ALA A 26 -12.757 25.592 -33.955 1.00 0.00 O ATOM 393 CB ALA A 26 -15.495 24.419 -35.427 1.00 0.00 C ATOM 0 H ALA A 26 -12.884 23.398 -34.471 1.00 0.00 H new ATOM 0 HA ALA A 26 -13.887 24.786 -36.822 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -16.031 25.332 -35.686 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -15.901 23.585 -35.999 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -15.612 24.219 -34.362 1.00 0.00 H new ATOM 399 N PRO A 27 -13.620 27.051 -35.440 1.00 0.00 N ATOM 400 CA PRO A 27 -13.198 28.243 -34.712 1.00 0.00 C ATOM 401 C PRO A 27 -13.980 28.412 -33.403 1.00 0.00 C ATOM 402 O PRO A 27 -15.134 27.986 -33.276 1.00 0.00 O ATOM 403 CB PRO A 27 -13.406 29.436 -35.660 1.00 0.00 C ATOM 404 CG PRO A 27 -13.602 28.791 -37.031 1.00 0.00 C ATOM 405 CD PRO A 27 -14.263 27.465 -36.672 1.00 0.00 C ATOM 0 HA PRO A 27 -12.151 28.166 -34.418 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -14.274 30.029 -35.370 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -12.546 30.105 -35.653 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -14.233 29.398 -37.680 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -12.655 28.646 -37.552 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -15.338 27.583 -36.537 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -14.120 26.726 -37.460 1.00 0.00 H new ATOM 413 N ARG A 28 -13.336 29.045 -32.422 1.00 0.00 N ATOM 414 CA ARG A 28 -13.889 29.325 -31.088 1.00 0.00 C ATOM 415 C ARG A 28 -13.517 30.698 -30.507 1.00 0.00 C ATOM 416 O ARG A 28 -12.587 31.359 -30.972 1.00 0.00 O ATOM 417 CB ARG A 28 -13.562 28.147 -30.158 1.00 0.00 C ATOM 418 CG ARG A 28 -12.075 27.977 -29.819 1.00 0.00 C ATOM 419 CD ARG A 28 -11.912 26.813 -28.836 1.00 0.00 C ATOM 420 NE ARG A 28 -10.509 26.637 -28.412 1.00 0.00 N ATOM 421 CZ ARG A 28 -10.094 25.994 -27.335 1.00 0.00 C ATOM 422 NH1 ARG A 28 -10.908 25.401 -26.511 1.00 0.00 N ATOM 423 NH2 ARG A 28 -8.831 25.918 -27.041 1.00 0.00 N ATOM 0 H ARG A 28 -12.383 29.390 -32.534 1.00 0.00 H new ATOM 0 HA ARG A 28 -14.971 29.408 -31.188 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -14.118 28.273 -29.229 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -13.920 27.228 -30.622 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -11.503 27.785 -30.726 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -11.682 28.895 -29.382 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -12.536 26.989 -27.960 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -12.268 25.894 -29.301 1.00 0.00 H new ATOM 0 HE ARG A 28 -9.792 27.051 -29.007 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -11.913 25.421 -26.684 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -10.541 24.916 -25.692 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -8.139 26.360 -27.646 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -8.531 25.417 -26.205 1.00 0.00 H new ATOM 437 N GLN A 29 -14.271 31.112 -29.489 1.00 0.00 N ATOM 438 CA GLN A 29 -14.263 32.423 -28.828 1.00 0.00 C ATOM 439 C GLN A 29 -14.237 32.229 -27.304 1.00 0.00 C ATOM 440 O GLN A 29 -15.247 31.914 -26.677 1.00 0.00 O ATOM 441 CB GLN A 29 -15.529 33.222 -29.200 1.00 0.00 C ATOM 442 CG GLN A 29 -15.797 33.389 -30.707 1.00 0.00 C ATOM 443 CD GLN A 29 -17.186 32.892 -31.088 1.00 0.00 C ATOM 444 OE1 GLN A 29 -18.001 33.597 -31.666 1.00 0.00 O ATOM 445 NE2 GLN A 29 -17.484 31.653 -30.767 1.00 0.00 N ATOM 0 H GLN A 29 -14.961 30.490 -29.068 1.00 0.00 H new ATOM 0 HA GLN A 29 -13.379 32.970 -29.156 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -16.391 32.731 -28.749 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -15.456 34.213 -28.751 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -15.698 34.439 -30.981 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -15.045 32.840 -31.274 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -16.798 31.072 -30.285 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -18.401 31.272 -31.000 1.00 0.00 H new ATOM 454 N ILE A 30 -13.072 32.400 -26.694 1.00 0.00 N ATOM 455 CA ILE A 30 -12.889 32.340 -25.245 1.00 0.00 C ATOM 456 C ILE A 30 -13.233 33.712 -24.653 1.00 0.00 C ATOM 457 O ILE A 30 -12.483 34.679 -24.808 1.00 0.00 O ATOM 458 CB ILE A 30 -11.462 31.874 -24.883 1.00 0.00 C ATOM 459 CG1 ILE A 30 -11.159 30.426 -25.327 1.00 0.00 C ATOM 460 CG2 ILE A 30 -11.260 31.916 -23.355 1.00 0.00 C ATOM 461 CD1 ILE A 30 -11.205 30.095 -26.822 1.00 0.00 C ATOM 0 H ILE A 30 -12.207 32.589 -27.201 1.00 0.00 H new ATOM 0 HA ILE A 30 -13.561 31.599 -24.812 1.00 0.00 H new ATOM 0 HB ILE A 30 -10.793 32.556 -25.409 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -10.165 30.168 -24.961 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -11.866 29.769 -24.820 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -10.250 31.585 -23.112 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -11.404 32.935 -22.997 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -11.983 31.257 -22.874 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -10.970 29.041 -26.969 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -12.202 30.302 -27.210 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -10.475 30.707 -27.353 1.00 0.00 H new ATOM 473 N ALA A 31 -14.361 33.777 -23.952 1.00 0.00 N ATOM 474 CA ALA A 31 -14.740 34.893 -23.092 1.00 0.00 C ATOM 475 C ALA A 31 -14.382 34.607 -21.622 1.00 0.00 C ATOM 476 O ALA A 31 -14.185 33.458 -21.221 1.00 0.00 O ATOM 477 CB ALA A 31 -16.235 35.168 -23.281 1.00 0.00 C ATOM 0 H ALA A 31 -15.057 33.032 -23.967 1.00 0.00 H new ATOM 0 HA ALA A 31 -14.180 35.785 -23.372 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -16.535 36.000 -22.645 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -16.430 35.420 -24.324 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -16.805 34.280 -23.010 1.00 0.00 H new ATOM 483 N ARG A 32 -14.326 35.657 -20.799 1.00 0.00 N ATOM 484 CA ARG A 32 -14.203 35.575 -19.333 1.00 0.00 C ATOM 485 C ARG A 32 -15.468 36.087 -18.659 1.00 0.00 C ATOM 486 O ARG A 32 -16.119 36.998 -19.166 1.00 0.00 O ATOM 487 CB ARG A 32 -12.958 36.337 -18.848 1.00 0.00 C ATOM 488 CG ARG A 32 -11.733 35.414 -18.802 1.00 0.00 C ATOM 489 CD ARG A 32 -10.420 36.200 -18.740 1.00 0.00 C ATOM 490 NE ARG A 32 -10.199 36.878 -17.444 1.00 0.00 N ATOM 491 CZ ARG A 32 -9.044 37.319 -16.981 1.00 0.00 C ATOM 492 NH1 ARG A 32 -7.914 37.150 -17.608 1.00 0.00 N ATOM 493 NH2 ARG A 32 -9.021 37.970 -15.862 1.00 0.00 N ATOM 0 H ARG A 32 -14.366 36.618 -21.139 1.00 0.00 H new ATOM 0 HA ARG A 32 -14.079 34.529 -19.054 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -12.760 37.178 -19.513 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -13.144 36.751 -17.857 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -11.805 34.760 -17.933 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -11.730 34.773 -19.683 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -9.590 35.521 -18.932 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -10.413 36.944 -19.536 1.00 0.00 H new ATOM 0 HE ARG A 32 -11.017 37.018 -16.851 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -7.895 36.657 -18.501 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -7.049 37.511 -17.206 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -9.888 38.136 -15.351 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -8.136 38.317 -15.492 1.00 0.00 H new ATOM 507 N TYR A 33 -15.776 35.544 -17.486 1.00 0.00 N ATOM 508 CA TYR A 33 -16.901 35.970 -16.659 1.00 0.00 C ATOM 509 C TYR A 33 -16.510 36.011 -15.179 1.00 0.00 C ATOM 510 O TYR A 33 -15.796 35.131 -14.696 1.00 0.00 O ATOM 511 CB TYR A 33 -18.101 35.040 -16.855 1.00 0.00 C ATOM 512 CG TYR A 33 -18.682 34.974 -18.249 1.00 0.00 C ATOM 513 CD1 TYR A 33 -18.065 34.199 -19.248 1.00 0.00 C ATOM 514 CD2 TYR A 33 -19.875 35.658 -18.528 1.00 0.00 C ATOM 515 CE1 TYR A 33 -18.658 34.095 -20.519 1.00 0.00 C ATOM 516 CE2 TYR A 33 -20.462 35.570 -19.800 1.00 0.00 C ATOM 517 CZ TYR A 33 -19.877 34.757 -20.784 1.00 0.00 C ATOM 518 OH TYR A 33 -20.513 34.592 -21.969 1.00 0.00 O ATOM 0 H TYR A 33 -15.240 34.780 -17.075 1.00 0.00 H new ATOM 0 HA TYR A 33 -17.180 36.976 -16.972 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -17.804 34.033 -16.561 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -18.890 35.352 -16.171 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -17.138 33.685 -19.039 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -20.344 36.255 -17.760 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -18.182 33.510 -21.292 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -21.361 36.126 -20.021 1.00 0.00 H new ATOM 0 HH TYR A 33 -21.205 35.279 -22.068 1.00 0.00 H new ATOM 528 N ARG A 34 -16.998 37.026 -14.458 1.00 0.00 N ATOM 529 CA ARG A 34 -16.737 37.285 -13.036 1.00 0.00 C ATOM 530 C ARG A 34 -17.970 36.988 -12.185 1.00 0.00 C ATOM 531 O ARG A 34 -19.041 37.536 -12.439 1.00 0.00 O ATOM 532 CB ARG A 34 -16.250 38.737 -12.879 1.00 0.00 C ATOM 533 CG ARG A 34 -15.788 39.035 -11.444 1.00 0.00 C ATOM 534 CD ARG A 34 -14.707 40.120 -11.391 1.00 0.00 C ATOM 535 NE ARG A 34 -15.168 41.432 -11.886 1.00 0.00 N ATOM 536 CZ ARG A 34 -14.492 42.273 -12.653 1.00 0.00 C ATOM 537 NH1 ARG A 34 -13.346 41.987 -13.204 1.00 0.00 N ATOM 538 NH2 ARG A 34 -14.978 43.457 -12.894 1.00 0.00 N ATOM 0 H ARG A 34 -17.617 37.725 -14.870 1.00 0.00 H new ATOM 0 HA ARG A 34 -15.956 36.616 -12.675 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -15.428 38.921 -13.571 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -17.054 39.421 -13.151 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -16.644 39.350 -10.848 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -15.404 38.121 -10.992 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -14.362 40.229 -10.363 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -13.850 39.798 -11.982 1.00 0.00 H new ATOM 0 HE ARG A 34 -16.106 41.721 -11.608 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -12.922 41.072 -13.053 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -12.873 42.679 -13.786 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -15.875 43.732 -12.493 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -14.462 44.110 -13.484 1.00 0.00 H new ATOM 552 N THR A 35 -17.816 36.120 -11.189 1.00 0.00 N ATOM 553 CA THR A 35 -18.874 35.719 -10.245 1.00 0.00 C ATOM 554 C THR A 35 -19.112 36.795 -9.186 1.00 0.00 C ATOM 555 O THR A 35 -18.399 37.800 -9.112 1.00 0.00 O ATOM 556 CB THR A 35 -18.563 34.399 -9.534 1.00 0.00 C ATOM 557 OG1 THR A 35 -17.419 34.538 -8.745 1.00 0.00 O ATOM 558 CG2 THR A 35 -18.362 33.241 -10.491 1.00 0.00 C ATOM 0 H THR A 35 -16.926 35.657 -11.004 1.00 0.00 H new ATOM 0 HA THR A 35 -19.771 35.585 -10.850 1.00 0.00 H new ATOM 0 HB THR A 35 -19.432 34.170 -8.918 1.00 0.00 H new ATOM 0 HG1 THR A 35 -16.645 34.716 -9.319 1.00 0.00 H new ATOM 0 HG21 THR A 35 -18.145 32.335 -9.925 1.00 0.00 H new ATOM 0 HG22 THR A 35 -19.268 33.093 -11.079 1.00 0.00 H new ATOM 0 HG23 THR A 35 -17.528 33.461 -11.158 1.00 0.00 H new ATOM 566 N ASP A 36 -20.083 36.564 -8.303 1.00 0.00 N ATOM 567 CA ASP A 36 -20.445 37.526 -7.265 1.00 0.00 C ATOM 568 C ASP A 36 -19.418 37.621 -6.119 1.00 0.00 C ATOM 569 O ASP A 36 -19.413 38.621 -5.398 1.00 0.00 O ATOM 570 CB ASP A 36 -21.858 37.205 -6.759 1.00 0.00 C ATOM 571 CG ASP A 36 -22.427 38.302 -5.842 1.00 0.00 C ATOM 572 OD1 ASP A 36 -22.660 39.437 -6.326 1.00 0.00 O ATOM 573 OD2 ASP A 36 -22.686 38.023 -4.646 1.00 0.00 O ATOM 0 H ASP A 36 -20.638 35.708 -8.288 1.00 0.00 H new ATOM 0 HA ASP A 36 -20.437 38.520 -7.712 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -22.523 37.070 -7.612 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -21.839 36.259 -6.218 1.00 0.00 H new ATOM 578 N ASN A 37 -18.495 36.653 -5.985 1.00 0.00 N ATOM 579 CA ASN A 37 -17.370 36.791 -5.042 1.00 0.00 C ATOM 580 C ASN A 37 -16.140 37.490 -5.675 1.00 0.00 C ATOM 581 O ASN A 37 -15.099 37.617 -5.028 1.00 0.00 O ATOM 582 CB ASN A 37 -16.980 35.445 -4.418 1.00 0.00 C ATOM 583 CG ASN A 37 -18.107 34.498 -4.052 1.00 0.00 C ATOM 584 OD1 ASN A 37 -19.184 34.869 -3.608 1.00 0.00 O ATOM 585 ND2 ASN A 37 -17.853 33.220 -4.205 1.00 0.00 N ATOM 0 H ASN A 37 -18.504 35.778 -6.509 1.00 0.00 H new ATOM 0 HA ASN A 37 -17.725 37.440 -4.242 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -16.318 34.929 -5.114 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -16.401 35.646 -3.516 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -18.557 32.526 -3.953 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -16.952 32.920 -4.576 1.00 0.00 H new ATOM 592 N GLY A 38 -16.227 37.891 -6.951 1.00 0.00 N ATOM 593 CA GLY A 38 -15.099 38.341 -7.776 1.00 0.00 C ATOM 594 C GLY A 38 -14.308 37.217 -8.444 1.00 0.00 C ATOM 595 O GLY A 38 -13.285 37.489 -9.073 1.00 0.00 O ATOM 0 H GLY A 38 -17.115 37.911 -7.453 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -15.476 39.010 -8.549 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -14.421 38.924 -7.153 1.00 0.00 H new ATOM 599 N GLU A 39 -14.744 35.962 -8.315 1.00 0.00 N ATOM 600 CA GLU A 39 -14.034 34.811 -8.891 1.00 0.00 C ATOM 601 C GLU A 39 -14.221 34.818 -10.412 1.00 0.00 C ATOM 602 O GLU A 39 -15.354 34.750 -10.890 1.00 0.00 O ATOM 603 CB GLU A 39 -14.501 33.465 -8.294 1.00 0.00 C ATOM 604 CG GLU A 39 -14.856 33.540 -6.804 1.00 0.00 C ATOM 605 CD GLU A 39 -14.642 32.258 -5.978 1.00 0.00 C ATOM 606 OE1 GLU A 39 -13.764 31.420 -6.298 1.00 0.00 O ATOM 607 OE2 GLU A 39 -15.345 32.125 -4.947 1.00 0.00 O ATOM 0 H GLU A 39 -15.595 35.712 -7.811 1.00 0.00 H new ATOM 0 HA GLU A 39 -12.977 34.909 -8.642 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -15.372 33.115 -8.848 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -13.714 32.723 -8.434 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -14.266 34.338 -6.353 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -15.903 33.830 -6.718 1.00 0.00 H new ATOM 614 N GLU A 40 -13.137 34.900 -11.177 1.00 0.00 N ATOM 615 CA GLU A 40 -13.194 34.929 -12.646 1.00 0.00 C ATOM 616 C GLU A 40 -12.831 33.578 -13.269 1.00 0.00 C ATOM 617 O GLU A 40 -11.829 32.948 -12.913 1.00 0.00 O ATOM 618 CB GLU A 40 -12.270 36.007 -13.229 1.00 0.00 C ATOM 619 CG GLU A 40 -12.973 37.362 -13.276 1.00 0.00 C ATOM 620 CD GLU A 40 -12.135 38.424 -14.003 1.00 0.00 C ATOM 621 OE1 GLU A 40 -11.625 38.138 -15.113 1.00 0.00 O ATOM 622 OE2 GLU A 40 -12.005 39.555 -13.480 1.00 0.00 O ATOM 0 H GLU A 40 -12.190 34.949 -10.801 1.00 0.00 H new ATOM 0 HA GLU A 40 -14.228 35.164 -12.896 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -11.366 36.083 -12.624 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -11.958 35.720 -14.233 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -13.934 37.254 -13.778 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -13.180 37.698 -12.260 1.00 0.00 H new ATOM 629 N PHE A 41 -13.648 33.173 -14.242 1.00 0.00 N ATOM 630 CA PHE A 41 -13.508 31.944 -15.021 1.00 0.00 C ATOM 631 C PHE A 41 -13.603 32.213 -16.526 1.00 0.00 C ATOM 632 O PHE A 41 -14.142 33.227 -16.971 1.00 0.00 O ATOM 633 CB PHE A 41 -14.581 30.939 -14.594 1.00 0.00 C ATOM 634 CG PHE A 41 -14.464 30.479 -13.152 1.00 0.00 C ATOM 635 CD1 PHE A 41 -15.025 31.226 -12.094 1.00 0.00 C ATOM 636 CD2 PHE A 41 -13.741 29.305 -12.861 1.00 0.00 C ATOM 637 CE1 PHE A 41 -14.837 30.803 -10.773 1.00 0.00 C ATOM 638 CE2 PHE A 41 -13.548 28.894 -11.531 1.00 0.00 C ATOM 639 CZ PHE A 41 -14.093 29.648 -10.482 1.00 0.00 C ATOM 0 H PHE A 41 -14.463 33.719 -14.521 1.00 0.00 H new ATOM 0 HA PHE A 41 -12.519 31.530 -14.824 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -15.563 31.388 -14.742 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -14.527 30.068 -15.247 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -15.596 32.119 -12.302 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -13.331 28.715 -13.668 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -15.271 31.374 -9.965 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -12.981 28.000 -11.317 1.00 0.00 H new ATOM 0 HZ PHE A 41 -13.942 29.343 -9.457 1.00 0.00 H new ATOM 649 N GLU A 42 -13.088 31.272 -17.312 1.00 0.00 N ATOM 650 CA GLU A 42 -12.961 31.358 -18.770 1.00 0.00 C ATOM 651 C GLU A 42 -13.887 30.350 -19.464 1.00 0.00 C ATOM 652 O GLU A 42 -13.869 29.158 -19.142 1.00 0.00 O ATOM 653 CB GLU A 42 -11.504 31.144 -19.228 1.00 0.00 C ATOM 654 CG GLU A 42 -10.418 31.798 -18.356 1.00 0.00 C ATOM 655 CD GLU A 42 -9.816 30.814 -17.326 1.00 0.00 C ATOM 656 OE1 GLU A 42 -10.563 30.252 -16.487 1.00 0.00 O ATOM 657 OE2 GLU A 42 -8.580 30.596 -17.350 1.00 0.00 O ATOM 0 H GLU A 42 -12.732 30.392 -16.939 1.00 0.00 H new ATOM 0 HA GLU A 42 -13.261 32.365 -19.059 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -11.311 30.072 -19.270 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -11.404 31.525 -20.244 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -9.623 32.180 -18.997 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -10.844 32.653 -17.831 1.00 0.00 H new ATOM 664 N VAL A 43 -14.685 30.815 -20.426 1.00 0.00 N ATOM 665 CA VAL A 43 -15.676 30.004 -21.154 1.00 0.00 C ATOM 666 C VAL A 43 -15.410 30.044 -22.670 1.00 0.00 C ATOM 667 O VAL A 43 -15.635 31.081 -23.303 1.00 0.00 O ATOM 668 CB VAL A 43 -17.114 30.461 -20.838 1.00 0.00 C ATOM 669 CG1 VAL A 43 -18.139 29.510 -21.466 1.00 0.00 C ATOM 670 CG2 VAL A 43 -17.388 30.542 -19.329 1.00 0.00 C ATOM 0 H VAL A 43 -14.664 31.788 -20.732 1.00 0.00 H new ATOM 0 HA VAL A 43 -15.573 28.973 -20.817 1.00 0.00 H new ATOM 0 HB VAL A 43 -17.213 31.460 -21.263 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -19.146 29.853 -21.229 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -18.006 29.494 -22.548 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -17.995 28.506 -21.068 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -18.415 30.869 -19.163 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -17.242 29.560 -18.880 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -16.702 31.255 -18.872 1.00 0.00 H new ATOM 680 N PRO A 44 -14.956 28.931 -23.280 1.00 0.00 N ATOM 681 CA PRO A 44 -14.866 28.772 -24.728 1.00 0.00 C ATOM 682 C PRO A 44 -16.247 28.549 -25.367 1.00 0.00 C ATOM 683 O PRO A 44 -16.960 27.596 -25.044 1.00 0.00 O ATOM 684 CB PRO A 44 -13.920 27.587 -24.979 1.00 0.00 C ATOM 685 CG PRO A 44 -13.242 27.331 -23.633 1.00 0.00 C ATOM 686 CD PRO A 44 -14.271 27.832 -22.625 1.00 0.00 C ATOM 0 HA PRO A 44 -14.479 29.679 -25.193 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -14.469 26.708 -25.318 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -13.188 27.823 -25.751 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -13.019 26.274 -23.489 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -12.299 27.871 -23.548 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -14.970 27.041 -22.352 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -13.789 28.163 -21.705 1.00 0.00 H new ATOM 694 N PHE A 45 -16.589 29.412 -26.319 1.00 0.00 N ATOM 695 CA PHE A 45 -17.762 29.319 -27.202 1.00 0.00 C ATOM 696 C PHE A 45 -17.362 28.911 -28.619 1.00 0.00 C ATOM 697 O PHE A 45 -16.388 29.426 -29.157 1.00 0.00 O ATOM 698 CB PHE A 45 -18.482 30.669 -27.245 1.00 0.00 C ATOM 699 CG PHE A 45 -19.267 30.971 -25.988 1.00 0.00 C ATOM 700 CD1 PHE A 45 -18.621 31.546 -24.876 1.00 0.00 C ATOM 701 CD2 PHE A 45 -20.639 30.664 -25.924 1.00 0.00 C ATOM 702 CE1 PHE A 45 -19.352 31.817 -23.711 1.00 0.00 C ATOM 703 CE2 PHE A 45 -21.365 30.930 -24.748 1.00 0.00 C ATOM 704 CZ PHE A 45 -20.718 31.503 -23.640 1.00 0.00 C ATOM 0 H PHE A 45 -16.029 30.243 -26.511 1.00 0.00 H new ATOM 0 HA PHE A 45 -18.426 28.554 -26.801 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -17.748 31.459 -27.405 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -19.158 30.685 -28.100 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -17.567 31.777 -24.921 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -21.135 30.224 -26.777 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -18.861 32.270 -22.863 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -22.418 30.694 -24.697 1.00 0.00 H new ATOM 0 HZ PHE A 45 -21.272 31.702 -22.734 1.00 0.00 H new ATOM 714 N ALA A 46 -18.143 28.058 -29.272 1.00 0.00 N ATOM 715 CA ALA A 46 -17.920 27.657 -30.664 1.00 0.00 C ATOM 716 C ALA A 46 -18.460 28.716 -31.641 1.00 0.00 C ATOM 717 O ALA A 46 -19.327 29.509 -31.281 1.00 0.00 O ATOM 718 CB ALA A 46 -18.562 26.282 -30.889 1.00 0.00 C ATOM 0 H ALA A 46 -18.960 27.618 -28.848 1.00 0.00 H new ATOM 0 HA ALA A 46 -16.850 27.581 -30.859 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -18.404 25.971 -31.922 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -18.108 25.554 -30.217 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -19.632 26.343 -30.688 1.00 0.00 H new ATOM 724 N ASP A 47 -17.996 28.715 -32.891 1.00 0.00 N ATOM 725 CA ASP A 47 -18.441 29.643 -33.947 1.00 0.00 C ATOM 726 C ASP A 47 -19.953 29.540 -34.265 1.00 0.00 C ATOM 727 O ASP A 47 -20.555 30.478 -34.790 1.00 0.00 O ATOM 728 CB ASP A 47 -17.601 29.376 -35.205 1.00 0.00 C ATOM 729 CG ASP A 47 -17.901 30.362 -36.348 1.00 0.00 C ATOM 730 OD1 ASP A 47 -17.547 31.559 -36.224 1.00 0.00 O ATOM 731 OD2 ASP A 47 -18.451 29.933 -37.392 1.00 0.00 O ATOM 0 H ASP A 47 -17.285 28.057 -33.211 1.00 0.00 H new ATOM 0 HA ASP A 47 -18.291 30.661 -33.586 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -16.543 29.436 -34.949 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -17.788 28.359 -35.551 1.00 0.00 H new ATOM 736 N ASP A 48 -20.588 28.419 -33.903 1.00 0.00 N ATOM 737 CA ASP A 48 -22.045 28.212 -33.971 1.00 0.00 C ATOM 738 C ASP A 48 -22.832 29.010 -32.902 1.00 0.00 C ATOM 739 O ASP A 48 -24.053 29.152 -32.999 1.00 0.00 O ATOM 740 CB ASP A 48 -22.308 26.704 -33.844 1.00 0.00 C ATOM 741 CG ASP A 48 -23.772 26.323 -34.128 1.00 0.00 C ATOM 742 OD1 ASP A 48 -24.238 26.515 -35.277 1.00 0.00 O ATOM 743 OD2 ASP A 48 -24.449 25.784 -33.217 1.00 0.00 O ATOM 0 H ASP A 48 -20.090 27.605 -33.543 1.00 0.00 H new ATOM 0 HA ASP A 48 -22.406 28.592 -34.926 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -21.658 26.168 -34.536 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -22.042 26.378 -32.839 1.00 0.00 H new ATOM 748 N ALA A 49 -22.136 29.545 -31.892 1.00 0.00 N ATOM 749 CA ALA A 49 -22.675 30.313 -30.767 1.00 0.00 C ATOM 750 C ALA A 49 -22.091 31.741 -30.692 1.00 0.00 C ATOM 751 O ALA A 49 -21.020 32.030 -31.230 1.00 0.00 O ATOM 752 CB ALA A 49 -22.404 29.526 -29.476 1.00 0.00 C ATOM 0 H ALA A 49 -21.122 29.447 -31.836 1.00 0.00 H new ATOM 0 HA ALA A 49 -23.748 30.443 -30.908 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -22.797 30.079 -28.623 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -22.892 28.553 -29.534 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -21.330 29.386 -29.354 1.00 0.00 H new ATOM 758 N GLU A 50 -22.783 32.635 -29.979 1.00 0.00 N ATOM 759 CA GLU A 50 -22.326 33.998 -29.663 1.00 0.00 C ATOM 760 C GLU A 50 -22.487 34.304 -28.168 1.00 0.00 C ATOM 761 O GLU A 50 -23.486 33.931 -27.552 1.00 0.00 O ATOM 762 CB GLU A 50 -23.079 35.046 -30.500 1.00 0.00 C ATOM 763 CG GLU A 50 -22.599 35.070 -31.955 1.00 0.00 C ATOM 764 CD GLU A 50 -23.408 36.083 -32.787 1.00 0.00 C ATOM 765 OE1 GLU A 50 -23.013 37.274 -32.857 1.00 0.00 O ATOM 766 OE2 GLU A 50 -24.446 35.700 -33.383 1.00 0.00 O ATOM 0 H GLU A 50 -23.704 32.427 -29.593 1.00 0.00 H new ATOM 0 HA GLU A 50 -21.267 34.051 -29.915 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -24.147 34.831 -30.474 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -22.941 36.032 -30.056 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -21.541 35.329 -31.988 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -22.697 34.076 -32.390 1.00 0.00 H new ATOM 773 N ILE A 51 -21.493 34.999 -27.610 1.00 0.00 N ATOM 774 CA ILE A 51 -21.308 35.332 -26.191 1.00 0.00 C ATOM 775 C ILE A 51 -22.532 36.063 -25.609 1.00 0.00 C ATOM 776 O ILE A 51 -22.786 37.224 -25.956 1.00 0.00 O ATOM 777 CB ILE A 51 -20.044 36.195 -25.963 1.00 0.00 C ATOM 778 CG1 ILE A 51 -18.812 35.768 -26.797 1.00 0.00 C ATOM 779 CG2 ILE A 51 -19.682 36.224 -24.468 1.00 0.00 C ATOM 780 CD1 ILE A 51 -18.274 34.362 -26.527 1.00 0.00 C ATOM 0 H ILE A 51 -20.736 35.374 -28.182 1.00 0.00 H new ATOM 0 HA ILE A 51 -21.185 34.382 -25.671 1.00 0.00 H new ATOM 0 HB ILE A 51 -20.307 37.193 -26.313 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -19.071 35.840 -27.853 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -18.010 36.483 -26.616 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -18.791 36.834 -24.321 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -20.510 36.649 -23.901 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -19.488 35.209 -24.121 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -17.412 34.173 -27.167 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -17.974 34.282 -25.482 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -19.051 33.628 -26.739 1.00 0.00 H new ATOM 792 N PRO A 52 -23.298 35.414 -24.723 1.00 0.00 N ATOM 793 CA PRO A 52 -24.325 36.065 -23.926 1.00 0.00 C ATOM 794 C PRO A 52 -23.691 36.947 -22.837 1.00 0.00 C ATOM 795 O PRO A 52 -22.614 36.643 -22.316 1.00 0.00 O ATOM 796 CB PRO A 52 -25.154 34.918 -23.350 1.00 0.00 C ATOM 797 CG PRO A 52 -24.154 33.770 -23.227 1.00 0.00 C ATOM 798 CD PRO A 52 -23.143 34.023 -24.338 1.00 0.00 C ATOM 0 HA PRO A 52 -24.950 36.743 -24.508 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -25.582 35.181 -22.383 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -25.984 34.656 -24.006 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -23.675 33.765 -22.248 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -24.643 32.803 -23.348 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -22.128 33.826 -23.992 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -23.324 33.363 -25.186 1.00 0.00 H new ATOM 806 N GLY A 53 -24.383 38.028 -22.467 1.00 0.00 N ATOM 807 CA GLY A 53 -23.974 38.999 -21.436 1.00 0.00 C ATOM 808 C GLY A 53 -23.550 38.385 -20.093 1.00 0.00 C ATOM 809 O GLY A 53 -22.701 38.946 -19.396 1.00 0.00 O ATOM 0 H GLY A 53 -25.280 38.264 -22.891 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -23.145 39.591 -21.825 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -24.801 39.687 -21.258 1.00 0.00 H new ATOM 813 N THR A 54 -24.113 37.230 -19.724 1.00 0.00 N ATOM 814 CA THR A 54 -23.684 36.446 -18.560 1.00 0.00 C ATOM 815 C THR A 54 -23.681 34.932 -18.828 1.00 0.00 C ATOM 816 O THR A 54 -24.337 34.457 -19.760 1.00 0.00 O ATOM 817 CB THR A 54 -24.610 36.699 -17.350 1.00 0.00 C ATOM 818 OG1 THR A 54 -25.944 36.332 -17.646 1.00 0.00 O ATOM 819 CG2 THR A 54 -24.707 38.158 -16.915 1.00 0.00 C ATOM 0 H THR A 54 -24.890 36.807 -20.232 1.00 0.00 H new ATOM 0 HA THR A 54 -22.666 36.774 -18.349 1.00 0.00 H new ATOM 0 HB THR A 54 -24.155 36.103 -16.559 1.00 0.00 H new ATOM 0 HG1 THR A 54 -26.511 36.500 -16.864 1.00 0.00 H new ATOM 0 HG21 THR A 54 -25.378 38.239 -16.060 1.00 0.00 H new ATOM 0 HG22 THR A 54 -23.718 38.521 -16.635 1.00 0.00 H new ATOM 0 HG23 THR A 54 -25.094 38.758 -17.738 1.00 0.00 H new ATOM 827 N TRP A 55 -22.946 34.164 -18.013 1.00 0.00 N ATOM 828 CA TRP A 55 -22.807 32.704 -18.125 1.00 0.00 C ATOM 829 C TRP A 55 -22.422 32.049 -16.782 1.00 0.00 C ATOM 830 O TRP A 55 -21.693 32.634 -15.980 1.00 0.00 O ATOM 831 CB TRP A 55 -21.748 32.388 -19.188 1.00 0.00 C ATOM 832 CG TRP A 55 -21.693 30.956 -19.620 1.00 0.00 C ATOM 833 CD1 TRP A 55 -20.884 30.015 -19.091 1.00 0.00 C ATOM 834 CD2 TRP A 55 -22.465 30.272 -20.654 1.00 0.00 C ATOM 835 NE1 TRP A 55 -21.059 28.817 -19.752 1.00 0.00 N ATOM 836 CE2 TRP A 55 -22.038 28.911 -20.717 1.00 0.00 C ATOM 837 CE3 TRP A 55 -23.476 30.668 -21.555 1.00 0.00 C ATOM 838 CZ2 TRP A 55 -22.583 27.992 -21.626 1.00 0.00 C ATOM 839 CZ3 TRP A 55 -24.040 29.753 -22.466 1.00 0.00 C ATOM 840 CH2 TRP A 55 -23.596 28.418 -22.505 1.00 0.00 C ATOM 0 H TRP A 55 -22.415 34.552 -17.233 1.00 0.00 H new ATOM 0 HA TRP A 55 -23.773 32.290 -18.414 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -21.937 33.009 -20.064 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -20.770 32.673 -18.801 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -20.200 30.176 -18.271 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -20.530 27.968 -19.552 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -23.824 31.690 -21.546 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -22.230 26.972 -21.651 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -24.819 30.079 -23.140 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -24.031 27.723 -23.207 1.00 0.00 H new ATOM 851 N LEU A 56 -22.887 30.824 -16.516 1.00 0.00 N ATOM 852 CA LEU A 56 -22.606 30.099 -15.270 1.00 0.00 C ATOM 853 C LEU A 56 -21.134 29.643 -15.198 1.00 0.00 C ATOM 854 O LEU A 56 -20.633 28.957 -16.091 1.00 0.00 O ATOM 855 CB LEU A 56 -23.588 28.918 -15.129 1.00 0.00 C ATOM 856 CG LEU A 56 -24.242 28.809 -13.741 1.00 0.00 C ATOM 857 CD1 LEU A 56 -25.361 27.769 -13.769 1.00 0.00 C ATOM 858 CD2 LEU A 56 -23.243 28.389 -12.666 1.00 0.00 C ATOM 0 H LEU A 56 -23.475 30.302 -17.165 1.00 0.00 H new ATOM 0 HA LEU A 56 -22.756 30.773 -14.427 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -24.371 29.018 -15.881 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -23.057 27.990 -15.343 1.00 0.00 H new ATOM 0 HG LEU A 56 -24.630 29.798 -13.499 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -25.818 27.699 -12.782 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -26.115 28.066 -14.498 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -24.949 26.799 -14.048 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -23.750 28.325 -11.703 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -22.823 27.416 -12.920 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -22.442 29.126 -12.606 1.00 0.00 H new ATOM 870 N CYS A 57 -20.448 30.015 -14.119 1.00 0.00 N ATOM 871 CA CYS A 57 -19.027 29.736 -13.894 1.00 0.00 C ATOM 872 C CYS A 57 -18.788 28.490 -13.028 1.00 0.00 C ATOM 873 O CYS A 57 -19.673 28.038 -12.297 1.00 0.00 O ATOM 874 CB CYS A 57 -18.388 30.980 -13.272 1.00 0.00 C ATOM 875 SG CYS A 57 -18.316 32.291 -14.516 1.00 0.00 S ATOM 0 H CYS A 57 -20.877 30.535 -13.353 1.00 0.00 H new ATOM 0 HA CYS A 57 -18.561 29.510 -14.853 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -18.968 31.310 -12.410 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -17.386 30.748 -12.911 1.00 0.00 H new ATOM 0 HG CYS A 57 -17.776 33.353 -13.996 1.00 0.00 H new ATOM 881 N ARG A 58 -17.554 27.960 -13.054 1.00 0.00 N ATOM 882 CA ARG A 58 -17.179 26.696 -12.380 1.00 0.00 C ATOM 883 C ARG A 58 -17.192 26.768 -10.844 1.00 0.00 C ATOM 884 O ARG A 58 -17.211 25.729 -10.187 1.00 0.00 O ATOM 885 CB ARG A 58 -15.818 26.179 -12.892 1.00 0.00 C ATOM 886 CG ARG A 58 -15.740 26.060 -14.422 1.00 0.00 C ATOM 887 CD ARG A 58 -14.404 25.448 -14.868 1.00 0.00 C ATOM 888 NE ARG A 58 -14.314 25.361 -16.339 1.00 0.00 N ATOM 889 CZ ARG A 58 -14.105 26.337 -17.200 1.00 0.00 C ATOM 890 NH1 ARG A 58 -13.874 27.566 -16.846 1.00 0.00 N ATOM 891 NH2 ARG A 58 -14.131 26.080 -18.470 1.00 0.00 N ATOM 0 H ARG A 58 -16.777 28.399 -13.548 1.00 0.00 H new ATOM 0 HA ARG A 58 -17.960 25.984 -12.647 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -15.031 26.850 -12.548 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -15.620 25.203 -12.450 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -16.563 25.443 -14.783 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -15.859 27.046 -14.872 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -13.581 26.052 -14.487 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -14.296 24.453 -14.436 1.00 0.00 H new ATOM 0 HE ARG A 58 -14.428 24.430 -16.739 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -13.848 27.816 -15.857 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -13.719 28.281 -17.557 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -14.312 25.130 -18.795 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -13.971 26.828 -19.145 1.00 0.00 H new ATOM 905 N ASN A 59 -17.257 27.976 -10.270 1.00 0.00 N ATOM 906 CA ASN A 59 -17.526 28.194 -8.840 1.00 0.00 C ATOM 907 C ASN A 59 -18.966 27.782 -8.431 1.00 0.00 C ATOM 908 O ASN A 59 -19.264 27.583 -7.252 1.00 0.00 O ATOM 909 CB ASN A 59 -17.265 29.681 -8.552 1.00 0.00 C ATOM 910 CG ASN A 59 -17.482 30.146 -7.119 1.00 0.00 C ATOM 911 OD1 ASN A 59 -17.828 31.402 -6.946 1.00 0.00 O flip ATOM 912 ND2 ASN A 59 -17.299 29.424 -6.149 1.00 0.00 N flip ATOM 0 H ASN A 59 -17.123 28.842 -10.792 1.00 0.00 H new ATOM 0 HA ASN A 59 -16.869 27.561 -8.244 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -16.236 29.907 -8.831 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -17.909 30.272 -9.203 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -17.030 28.449 -6.282 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -17.415 29.797 -5.207 1.00 0.00 H new ATOM 919 N GLY A 60 -19.865 27.632 -9.408 1.00 0.00 N ATOM 920 CA GLY A 60 -21.294 27.357 -9.218 1.00 0.00 C ATOM 921 C GLY A 60 -22.159 28.621 -9.125 1.00 0.00 C ATOM 922 O GLY A 60 -23.318 28.535 -8.715 1.00 0.00 O ATOM 0 H GLY A 60 -19.608 27.701 -10.393 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -21.650 26.744 -10.046 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -21.424 26.771 -8.308 1.00 0.00 H new ATOM 926 N MET A 61 -21.609 29.787 -9.493 1.00 0.00 N ATOM 927 CA MET A 61 -22.298 31.081 -9.502 1.00 0.00 C ATOM 928 C MET A 61 -22.423 31.642 -10.924 1.00 0.00 C ATOM 929 O MET A 61 -21.556 31.425 -11.773 1.00 0.00 O ATOM 930 CB MET A 61 -21.567 32.050 -8.552 1.00 0.00 C ATOM 931 CG MET A 61 -22.353 33.338 -8.262 1.00 0.00 C ATOM 932 SD MET A 61 -24.049 33.090 -7.658 1.00 0.00 S ATOM 933 CE MET A 61 -24.615 34.810 -7.570 1.00 0.00 C ATOM 0 H MET A 61 -20.640 29.855 -9.803 1.00 0.00 H new ATOM 0 HA MET A 61 -23.318 30.949 -9.142 1.00 0.00 H new ATOM 0 HB2 MET A 61 -21.364 31.539 -7.611 1.00 0.00 H new ATOM 0 HB3 MET A 61 -20.603 32.313 -8.987 1.00 0.00 H new ATOM 0 HG2 MET A 61 -21.803 33.922 -7.524 1.00 0.00 H new ATOM 0 HG3 MET A 61 -22.393 33.934 -9.174 1.00 0.00 H new ATOM 0 HE1 MET A 61 -25.675 34.832 -7.317 1.00 0.00 H new ATOM 0 HE2 MET A 61 -24.049 35.341 -6.805 1.00 0.00 H new ATOM 0 HE3 MET A 61 -24.462 35.293 -8.535 1.00 0.00 H new ATOM 943 N GLU A 62 -23.490 32.396 -11.186 1.00 0.00 N ATOM 944 CA GLU A 62 -23.681 33.133 -12.440 1.00 0.00 C ATOM 945 C GLU A 62 -22.619 34.237 -12.572 1.00 0.00 C ATOM 946 O GLU A 62 -22.620 35.218 -11.825 1.00 0.00 O ATOM 947 CB GLU A 62 -25.105 33.708 -12.515 1.00 0.00 C ATOM 948 CG GLU A 62 -26.166 32.605 -12.632 1.00 0.00 C ATOM 949 CD GLU A 62 -27.581 33.205 -12.742 1.00 0.00 C ATOM 950 OE1 GLU A 62 -28.216 33.476 -11.693 1.00 0.00 O ATOM 951 OE2 GLU A 62 -28.075 33.404 -13.879 1.00 0.00 O ATOM 0 H GLU A 62 -24.258 32.515 -10.526 1.00 0.00 H new ATOM 0 HA GLU A 62 -23.559 32.447 -13.278 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -25.301 34.307 -11.626 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -25.181 34.377 -13.373 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -25.960 31.989 -13.507 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -26.112 31.950 -11.762 1.00 0.00 H new ATOM 958 N GLY A 63 -21.689 34.054 -13.509 1.00 0.00 N ATOM 959 CA GLY A 63 -20.661 35.030 -13.854 1.00 0.00 C ATOM 960 C GLY A 63 -21.158 36.055 -14.875 1.00 0.00 C ATOM 961 O GLY A 63 -21.925 35.716 -15.777 1.00 0.00 O ATOM 0 H GLY A 63 -21.630 33.199 -14.063 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -20.336 35.547 -12.951 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -19.790 34.512 -14.256 1.00 0.00 H new ATOM 965 N THR A 64 -20.683 37.295 -14.786 1.00 0.00 N ATOM 966 CA THR A 64 -20.959 38.347 -15.781 1.00 0.00 C ATOM 967 C THR A 64 -19.747 38.620 -16.657 1.00 0.00 C ATOM 968 O THR A 64 -18.623 38.629 -16.165 1.00 0.00 O ATOM 969 CB THR A 64 -21.422 39.651 -15.115 1.00 0.00 C ATOM 970 OG1 THR A 64 -22.556 39.412 -14.304 1.00 0.00 O ATOM 971 CG2 THR A 64 -21.815 40.739 -16.121 1.00 0.00 C ATOM 0 H THR A 64 -20.090 37.608 -14.017 1.00 0.00 H new ATOM 0 HA THR A 64 -21.767 37.974 -16.411 1.00 0.00 H new ATOM 0 HB THR A 64 -20.569 39.999 -14.533 1.00 0.00 H new ATOM 0 HG1 THR A 64 -22.840 40.250 -13.884 1.00 0.00 H new ATOM 0 HG21 THR A 64 -22.132 41.633 -15.584 1.00 0.00 H new ATOM 0 HG22 THR A 64 -20.958 40.979 -16.751 1.00 0.00 H new ATOM 0 HG23 THR A 64 -22.634 40.380 -16.744 1.00 0.00 H new ATOM 979 N LEU A 65 -19.976 38.832 -17.953 1.00 0.00 N ATOM 980 CA LEU A 65 -18.948 39.060 -18.966 1.00 0.00 C ATOM 981 C LEU A 65 -18.076 40.293 -18.660 1.00 0.00 C ATOM 982 O LEU A 65 -18.591 41.407 -18.529 1.00 0.00 O ATOM 983 CB LEU A 65 -19.682 39.178 -20.316 1.00 0.00 C ATOM 984 CG LEU A 65 -18.780 39.188 -21.561 1.00 0.00 C ATOM 985 CD1 LEU A 65 -18.181 37.827 -21.839 1.00 0.00 C ATOM 986 CD2 LEU A 65 -19.594 39.614 -22.783 1.00 0.00 C ATOM 0 H LEU A 65 -20.920 38.850 -18.340 1.00 0.00 H new ATOM 0 HA LEU A 65 -18.241 38.230 -18.984 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -20.382 38.347 -20.403 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -20.273 40.094 -20.310 1.00 0.00 H new ATOM 0 HG LEU A 65 -17.970 39.891 -21.367 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -17.551 37.881 -22.727 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -17.579 37.513 -20.986 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -18.980 37.105 -22.004 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -18.952 39.620 -23.664 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -20.414 38.912 -22.937 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -19.997 40.614 -22.621 1.00 0.00 H new ATOM 998 N ILE A 66 -16.756 40.092 -18.574 1.00 0.00 N ATOM 999 CA ILE A 66 -15.740 41.141 -18.349 1.00 0.00 C ATOM 1000 C ILE A 66 -14.587 41.029 -19.355 1.00 0.00 C ATOM 1001 O ILE A 66 -14.322 39.958 -19.906 1.00 0.00 O ATOM 1002 CB ILE A 66 -15.212 41.172 -16.889 1.00 0.00 C ATOM 1003 CG1 ILE A 66 -14.283 40.009 -16.473 1.00 0.00 C ATOM 1004 CG2 ILE A 66 -16.356 41.312 -15.877 1.00 0.00 C ATOM 1005 CD1 ILE A 66 -14.793 38.613 -16.741 1.00 0.00 C ATOM 0 H ILE A 66 -16.345 39.162 -18.662 1.00 0.00 H new ATOM 0 HA ILE A 66 -16.244 42.093 -18.514 1.00 0.00 H new ATOM 0 HB ILE A 66 -14.580 42.060 -16.874 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -13.331 40.130 -16.990 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -14.079 40.099 -15.406 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -15.948 41.330 -14.867 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -16.898 42.239 -16.066 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -17.037 40.467 -15.978 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -14.054 37.885 -16.406 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -15.727 38.457 -16.201 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -14.967 38.488 -17.810 1.00 0.00 H new ATOM 1017 N GLU A 67 -13.888 42.139 -19.596 1.00 0.00 N ATOM 1018 CA GLU A 67 -12.767 42.223 -20.536 1.00 0.00 C ATOM 1019 C GLU A 67 -11.600 43.049 -19.966 1.00 0.00 C ATOM 1020 O GLU A 67 -11.801 44.120 -19.386 1.00 0.00 O ATOM 1021 CB GLU A 67 -13.233 42.845 -21.864 1.00 0.00 C ATOM 1022 CG GLU A 67 -14.216 41.967 -22.649 1.00 0.00 C ATOM 1023 CD GLU A 67 -14.548 42.604 -24.013 1.00 0.00 C ATOM 1024 OE1 GLU A 67 -15.510 43.406 -24.098 1.00 0.00 O ATOM 1025 OE2 GLU A 67 -13.848 42.309 -25.013 1.00 0.00 O ATOM 0 H GLU A 67 -14.089 43.025 -19.133 1.00 0.00 H new ATOM 0 HA GLU A 67 -12.411 41.207 -20.707 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -13.704 43.806 -21.658 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -12.361 43.044 -22.487 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -13.786 40.977 -22.800 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -15.131 41.833 -22.073 1.00 0.00 H new ATOM 1032 N GLY A 68 -10.373 42.571 -20.196 1.00 0.00 N ATOM 1033 CA GLY A 68 -9.133 43.364 -20.100 1.00 0.00 C ATOM 1034 C GLY A 68 -8.176 42.999 -18.955 1.00 0.00 C ATOM 1035 O GLY A 68 -7.029 43.449 -18.969 1.00 0.00 O ATOM 0 H GLY A 68 -10.205 41.600 -20.460 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -8.592 43.268 -21.041 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -9.406 44.414 -19.995 1.00 0.00 H new ATOM 1039 N ASP A 69 -8.605 42.144 -18.018 1.00 0.00 N ATOM 1040 CA ASP A 69 -7.869 41.683 -16.838 1.00 0.00 C ATOM 1041 C ASP A 69 -7.558 42.771 -15.789 1.00 0.00 C ATOM 1042 O ASP A 69 -7.513 43.977 -16.052 1.00 0.00 O ATOM 1043 CB ASP A 69 -6.627 40.860 -17.248 1.00 0.00 C ATOM 1044 CG ASP A 69 -6.339 39.661 -16.328 1.00 0.00 C ATOM 1045 OD1 ASP A 69 -6.858 39.599 -15.189 1.00 0.00 O ATOM 1046 OD2 ASP A 69 -5.700 38.691 -16.796 1.00 0.00 O ATOM 0 H ASP A 69 -9.536 41.730 -18.069 1.00 0.00 H new ATOM 0 HA ASP A 69 -8.553 41.021 -16.307 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -6.764 40.498 -18.267 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -5.756 41.516 -17.257 1.00 0.00 H new ATOM 1051 N LEU A 70 -7.350 42.305 -14.563 1.00 0.00 N ATOM 1052 CA LEU A 70 -6.871 43.089 -13.418 1.00 0.00 C ATOM 1053 C LEU A 70 -5.374 43.464 -13.579 1.00 0.00 C ATOM 1054 O LEU A 70 -4.639 42.736 -14.258 1.00 0.00 O ATOM 1055 CB LEU A 70 -7.110 42.299 -12.113 1.00 0.00 C ATOM 1056 CG LEU A 70 -8.520 42.444 -11.507 1.00 0.00 C ATOM 1057 CD1 LEU A 70 -9.645 41.940 -12.413 1.00 0.00 C ATOM 1058 CD2 LEU A 70 -8.589 41.662 -10.194 1.00 0.00 C ATOM 0 H LEU A 70 -7.516 41.328 -14.324 1.00 0.00 H new ATOM 0 HA LEU A 70 -7.432 44.022 -13.373 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -6.922 41.243 -12.307 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -6.379 42.622 -11.372 1.00 0.00 H new ATOM 0 HG LEU A 70 -8.674 43.513 -11.362 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -10.604 42.078 -11.913 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -9.639 42.501 -13.347 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -9.495 40.881 -12.625 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -9.585 41.762 -9.763 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -8.381 40.609 -10.386 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -7.850 42.056 -9.496 1.00 0.00 H new ATOM 1070 N PRO A 71 -4.873 44.530 -12.914 1.00 0.00 N ATOM 1071 CA PRO A 71 -3.450 44.930 -12.912 1.00 0.00 C ATOM 1072 C PRO A 71 -2.488 43.978 -12.156 1.00 0.00 C ATOM 1073 O PRO A 71 -1.486 44.420 -11.592 1.00 0.00 O ATOM 1074 CB PRO A 71 -3.421 46.353 -12.325 1.00 0.00 C ATOM 1075 CG PRO A 71 -4.846 46.862 -12.504 1.00 0.00 C ATOM 1076 CD PRO A 71 -5.660 45.591 -12.296 1.00 0.00 C ATOM 0 HA PRO A 71 -3.070 44.883 -13.932 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -3.131 46.344 -11.274 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -2.704 46.985 -12.849 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -5.099 47.633 -11.776 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -5.005 47.292 -13.493 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -5.822 45.395 -11.236 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -6.644 45.673 -12.759 1.00 0.00 H new ATOM 1084 N GLU A 72 -2.814 42.683 -12.086 1.00 0.00 N ATOM 1085 CA GLU A 72 -2.222 41.653 -11.220 1.00 0.00 C ATOM 1086 C GLU A 72 -1.931 42.149 -9.778 1.00 0.00 C ATOM 1087 O GLU A 72 -0.773 42.140 -9.336 1.00 0.00 O ATOM 1088 CB GLU A 72 -1.011 41.045 -11.944 1.00 0.00 C ATOM 1089 CG GLU A 72 -1.417 40.199 -13.159 1.00 0.00 C ATOM 1090 CD GLU A 72 -0.178 39.580 -13.834 1.00 0.00 C ATOM 1091 OE1 GLU A 72 0.252 38.472 -13.427 1.00 0.00 O ATOM 1092 OE2 GLU A 72 0.378 40.193 -14.779 1.00 0.00 O ATOM 0 H GLU A 72 -3.552 42.297 -12.675 1.00 0.00 H new ATOM 0 HA GLU A 72 -2.950 40.859 -11.053 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -0.346 41.845 -12.268 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -0.448 40.426 -11.246 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -2.099 39.408 -12.846 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -1.955 40.819 -13.876 1.00 0.00 H new ATOM 1099 N PRO A 73 -2.966 42.597 -9.030 1.00 0.00 N ATOM 1100 CA PRO A 73 -2.817 43.116 -7.670 1.00 0.00 C ATOM 1101 C PRO A 73 -2.425 42.016 -6.670 1.00 0.00 C ATOM 1102 O PRO A 73 -2.924 40.887 -6.721 1.00 0.00 O ATOM 1103 CB PRO A 73 -4.160 43.768 -7.325 1.00 0.00 C ATOM 1104 CG PRO A 73 -5.161 42.977 -8.165 1.00 0.00 C ATOM 1105 CD PRO A 73 -4.368 42.657 -9.430 1.00 0.00 C ATOM 0 HA PRO A 73 -2.005 43.840 -7.610 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -4.381 43.694 -6.260 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -4.170 44.828 -7.580 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -5.490 42.072 -7.655 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -6.054 43.561 -8.385 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -4.690 41.709 -9.862 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -4.523 43.423 -10.190 1.00 0.00 H new ATOM 1113 N LYS A 74 -1.506 42.361 -5.762 1.00 0.00 N ATOM 1114 CA LYS A 74 -0.827 41.451 -4.817 1.00 0.00 C ATOM 1115 C LYS A 74 -0.178 42.214 -3.650 1.00 0.00 C ATOM 1116 O LYS A 74 -0.012 43.436 -3.718 1.00 0.00 O ATOM 1117 CB LYS A 74 0.222 40.608 -5.581 1.00 0.00 C ATOM 1118 CG LYS A 74 1.242 41.447 -6.374 1.00 0.00 C ATOM 1119 CD LYS A 74 2.193 40.559 -7.190 1.00 0.00 C ATOM 1120 CE LYS A 74 2.932 41.383 -8.254 1.00 0.00 C ATOM 1121 NZ LYS A 74 2.073 41.656 -9.439 1.00 0.00 N ATOM 0 H LYS A 74 -1.197 43.327 -5.656 1.00 0.00 H new ATOM 0 HA LYS A 74 -1.574 40.789 -4.380 1.00 0.00 H new ATOM 0 HB2 LYS A 74 0.758 39.981 -4.869 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -0.295 39.939 -6.268 1.00 0.00 H new ATOM 0 HG2 LYS A 74 0.713 42.126 -7.043 1.00 0.00 H new ATOM 0 HG3 LYS A 74 1.820 42.064 -5.686 1.00 0.00 H new ATOM 0 HD2 LYS A 74 2.915 40.085 -6.525 1.00 0.00 H new ATOM 0 HD3 LYS A 74 1.629 39.760 -7.670 1.00 0.00 H new ATOM 0 HE2 LYS A 74 3.261 42.327 -7.819 1.00 0.00 H new ATOM 0 HE3 LYS A 74 3.828 40.848 -8.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 2.395 42.527 -9.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 2.138 40.860 -10.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 1.086 41.772 -9.133 1.00 0.00 H new ATOM 1135 N LYS A 75 0.218 41.485 -2.601 1.00 0.00 N ATOM 1136 CA LYS A 75 0.956 41.990 -1.427 1.00 0.00 C ATOM 1137 C LYS A 75 2.079 41.021 -1.032 1.00 0.00 C ATOM 1138 O LYS A 75 1.868 39.806 -1.015 1.00 0.00 O ATOM 1139 CB LYS A 75 -0.035 42.210 -0.266 1.00 0.00 C ATOM 1140 CG LYS A 75 0.591 42.988 0.903 1.00 0.00 C ATOM 1141 CD LYS A 75 -0.329 43.005 2.128 1.00 0.00 C ATOM 1142 CE LYS A 75 0.343 43.785 3.263 1.00 0.00 C ATOM 1143 NZ LYS A 75 -0.395 43.624 4.540 1.00 0.00 N ATOM 0 H LYS A 75 0.028 40.485 -2.540 1.00 0.00 H new ATOM 0 HA LYS A 75 1.427 42.942 -1.673 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -0.906 42.752 -0.634 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -0.389 41.244 0.093 1.00 0.00 H new ATOM 0 HG2 LYS A 75 1.546 42.536 1.171 1.00 0.00 H new ATOM 0 HG3 LYS A 75 0.799 44.011 0.590 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -1.284 43.465 1.872 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -0.542 41.986 2.450 1.00 0.00 H new ATOM 0 HE2 LYS A 75 1.369 43.438 3.387 1.00 0.00 H new ATOM 0 HE3 LYS A 75 0.393 44.842 3.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -0.116 44.378 5.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -1.418 43.682 4.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -0.169 42.698 4.957 1.00 0.00 H new ATOM 1157 N VAL A 76 3.254 41.551 -0.682 1.00 0.00 N ATOM 1158 CA VAL A 76 4.381 40.772 -0.128 1.00 0.00 C ATOM 1159 C VAL A 76 4.196 40.489 1.370 1.00 0.00 C ATOM 1160 O VAL A 76 3.699 41.336 2.117 1.00 0.00 O ATOM 1161 CB VAL A 76 5.748 41.429 -0.412 1.00 0.00 C ATOM 1162 CG1 VAL A 76 6.044 41.429 -1.917 1.00 0.00 C ATOM 1163 CG2 VAL A 76 5.871 42.868 0.109 1.00 0.00 C ATOM 0 H VAL A 76 3.459 42.546 -0.774 1.00 0.00 H new ATOM 0 HA VAL A 76 4.377 39.814 -0.647 1.00 0.00 H new ATOM 0 HB VAL A 76 6.474 40.823 0.130 1.00 0.00 H new ATOM 0 HG11 VAL A 76 7.012 41.896 -2.097 1.00 0.00 H new ATOM 0 HG12 VAL A 76 6.062 40.403 -2.284 1.00 0.00 H new ATOM 0 HG13 VAL A 76 5.268 41.988 -2.440 1.00 0.00 H new ATOM 0 HG21 VAL A 76 6.860 43.258 -0.130 1.00 0.00 H new ATOM 0 HG22 VAL A 76 5.111 43.492 -0.362 1.00 0.00 H new ATOM 0 HG23 VAL A 76 5.729 42.877 1.190 1.00 0.00 H new ATOM 1173 N LYS A 77 4.593 39.288 1.811 1.00 0.00 N ATOM 1174 CA LYS A 77 4.478 38.792 3.200 1.00 0.00 C ATOM 1175 C LYS A 77 5.765 38.047 3.609 1.00 0.00 C ATOM 1176 O LYS A 77 6.390 37.458 2.717 1.00 0.00 O ATOM 1177 CB LYS A 77 3.242 37.880 3.341 1.00 0.00 C ATOM 1178 CG LYS A 77 1.943 38.560 2.875 1.00 0.00 C ATOM 1179 CD LYS A 77 0.706 37.723 3.210 1.00 0.00 C ATOM 1180 CE LYS A 77 -0.532 38.393 2.600 1.00 0.00 C ATOM 1181 NZ LYS A 77 -1.778 37.910 3.243 1.00 0.00 N ATOM 0 H LYS A 77 5.021 38.603 1.189 1.00 0.00 H new ATOM 0 HA LYS A 77 4.350 39.642 3.870 1.00 0.00 H new ATOM 0 HB2 LYS A 77 3.399 36.971 2.761 1.00 0.00 H new ATOM 0 HB3 LYS A 77 3.135 37.579 4.383 1.00 0.00 H new ATOM 0 HG2 LYS A 77 1.857 39.539 3.346 1.00 0.00 H new ATOM 0 HG3 LYS A 77 1.987 38.727 1.799 1.00 0.00 H new ATOM 0 HD2 LYS A 77 0.818 36.712 2.818 1.00 0.00 H new ATOM 0 HD3 LYS A 77 0.592 37.635 4.291 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -0.457 39.474 2.715 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -0.569 38.188 1.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -2.591 38.130 2.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -1.719 36.881 3.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -1.898 38.380 4.163 1.00 0.00 H new ATOM 1195 N PRO A 78 6.182 38.012 4.897 1.00 0.00 N ATOM 1196 CA PRO A 78 5.574 38.617 6.102 1.00 0.00 C ATOM 1197 C PRO A 78 5.479 40.164 6.067 1.00 0.00 C ATOM 1198 O PRO A 78 6.149 40.778 5.227 1.00 0.00 O ATOM 1199 CB PRO A 78 6.468 38.132 7.262 1.00 0.00 C ATOM 1200 CG PRO A 78 7.818 37.845 6.618 1.00 0.00 C ATOM 1201 CD PRO A 78 7.407 37.307 5.259 1.00 0.00 C ATOM 0 HA PRO A 78 4.533 38.309 6.198 1.00 0.00 H new ATOM 0 HB2 PRO A 78 6.554 38.891 8.039 1.00 0.00 H new ATOM 0 HB3 PRO A 78 6.056 37.239 7.732 1.00 0.00 H new ATOM 0 HG2 PRO A 78 8.430 38.743 6.534 1.00 0.00 H new ATOM 0 HG3 PRO A 78 8.396 37.118 7.188 1.00 0.00 H new ATOM 0 HD2 PRO A 78 8.189 37.479 4.519 1.00 0.00 H new ATOM 0 HD3 PRO A 78 7.239 36.231 5.301 1.00 0.00 H new ATOM 1209 N PRO A 79 4.671 40.814 6.943 1.00 0.00 N ATOM 1210 CA PRO A 79 4.059 40.253 8.162 1.00 0.00 C ATOM 1211 C PRO A 79 2.724 39.506 7.989 1.00 0.00 C ATOM 1212 O PRO A 79 2.587 38.395 8.507 1.00 0.00 O ATOM 1213 CB PRO A 79 3.888 41.439 9.130 1.00 0.00 C ATOM 1214 CG PRO A 79 4.770 42.542 8.551 1.00 0.00 C ATOM 1215 CD PRO A 79 4.662 42.268 7.057 1.00 0.00 C ATOM 0 HA PRO A 79 4.723 39.469 8.528 1.00 0.00 H new ATOM 0 HB2 PRO A 79 2.846 41.755 9.189 1.00 0.00 H new ATOM 0 HB3 PRO A 79 4.198 41.173 10.141 1.00 0.00 H new ATOM 0 HG2 PRO A 79 4.407 43.536 8.812 1.00 0.00 H new ATOM 0 HG3 PRO A 79 5.798 42.474 8.907 1.00 0.00 H new ATOM 0 HD2 PRO A 79 3.747 42.692 6.642 1.00 0.00 H new ATOM 0 HD3 PRO A 79 5.495 42.713 6.512 1.00 0.00 H new ATOM 1223 N ARG A 80 1.738 40.105 7.305 1.00 0.00 N ATOM 1224 CA ARG A 80 0.316 39.688 7.325 1.00 0.00 C ATOM 1225 C ARG A 80 -0.412 39.968 6.012 1.00 0.00 C ATOM 1226 O ARG A 80 -1.297 39.161 5.653 1.00 0.00 O ATOM 1227 CB ARG A 80 -0.435 40.394 8.475 1.00 0.00 C ATOM 1228 CG ARG A 80 -0.004 39.936 9.881 1.00 0.00 C ATOM 1229 CD ARG A 80 -0.900 40.518 10.984 1.00 0.00 C ATOM 1230 NE ARG A 80 -0.768 41.983 11.107 1.00 0.00 N ATOM 1231 CZ ARG A 80 -1.460 42.768 11.911 1.00 0.00 C ATOM 1232 NH1 ARG A 80 -2.374 42.307 12.717 1.00 0.00 N ATOM 1233 NH2 ARG A 80 -1.244 44.051 11.924 1.00 0.00 N ATOM 1234 OXT ARG A 80 -0.119 41.002 5.370 1.00 0.00 O ATOM 0 H ARG A 80 1.905 40.913 6.706 1.00 0.00 H new ATOM 0 HA ARG A 80 0.320 38.608 7.476 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -0.278 41.469 8.391 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -1.504 40.218 8.359 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -0.032 38.847 9.930 1.00 0.00 H new ATOM 0 HG3 ARG A 80 1.028 40.237 10.058 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -1.939 40.267 10.773 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -0.647 40.053 11.936 1.00 0.00 H new ATOM 0 HE ARG A 80 -0.073 42.433 10.512 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -2.575 41.307 12.741 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -2.888 42.946 13.324 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -0.537 44.455 11.310 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -1.782 44.652 12.548 1.00 0.00 H new TER 1248 ARG A 80