USER MOD reduce.3.24.130724 H: found=0, std=0, add=535, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 535 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 1 TYR N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 TYR OH : rot 180:sc= 0 USER MOD Single : A 2 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 87:sc= 0.988 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 CYS SG : rot 120:sc= -1.34 USER MOD Single : A 18 ASN : amide:sc= -1.08 K(o=-1.1,f=-0.16!) USER MOD Single : A 19 CYS SG : rot -89:sc= -0.928 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 92:sc= 1.24 USER MOD Single : A 26 GLN : amide:sc= -1.63 K(o=-1.6,f=-8.8!) USER MOD Single : A 29 GLN : amide:sc= -0.038 K(o=-0.038,f=-1.3) USER MOD Single : A 30 SER OG : rot 180:sc= -0.387 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 HIS : no HD1:sc= -0.125 X(o=-0.12,f=-0.045) USER MOD Single : A 35 GLN : amide:sc= -0.131 K(o=-0.13,f=-1.6) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc=-0.00729 K(o=-0.0073,f=-0.64) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -4.46! K(o=-4.5!,f=-2.4) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= -0.616 K(o=-0.62,f=-1.9!) USER MOD Single : A 66 HIS : no HD1:sc= -0.864 X(o=-0.86,f=-0.54) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 1 11.367 13.515 -11.457 1.00 0.00 N ATOM 2 CA TYR A 1 11.683 14.824 -10.831 1.00 0.00 C ATOM 3 C TYR A 1 10.901 15.023 -9.539 1.00 0.00 C ATOM 4 O TYR A 1 11.479 15.096 -8.455 1.00 0.00 O ATOM 5 CB TYR A 1 11.342 15.936 -11.827 1.00 0.00 C ATOM 6 CG TYR A 1 12.522 16.809 -12.189 1.00 0.00 C ATOM 7 CD1 TYR A 1 13.702 16.252 -12.665 1.00 0.00 C ATOM 8 CD2 TYR A 1 12.457 18.190 -12.052 1.00 0.00 C ATOM 9 CE1 TYR A 1 14.784 17.048 -12.996 1.00 0.00 C ATOM 10 CE2 TYR A 1 13.534 18.991 -12.380 1.00 0.00 C ATOM 11 CZ TYR A 1 14.694 18.415 -12.853 1.00 0.00 C ATOM 12 OH TYR A 1 15.769 19.210 -13.180 1.00 0.00 O ATOM 0 H1 TYR A 1 11.915 13.409 -12.335 1.00 0.00 H new ATOM 0 H2 TYR A 1 11.613 12.747 -10.800 1.00 0.00 H new ATOM 0 H3 TYR A 1 10.351 13.471 -11.675 1.00 0.00 H new ATOM 0 HA TYR A 1 12.744 14.852 -10.581 1.00 0.00 H new ATOM 0 HB2 TYR A 1 10.941 15.487 -12.736 1.00 0.00 H new ATOM 0 HB3 TYR A 1 10.555 16.561 -11.405 1.00 0.00 H new ATOM 0 HD1 TYR A 1 13.776 15.181 -12.779 1.00 0.00 H new ATOM 0 HD2 TYR A 1 11.550 18.645 -11.683 1.00 0.00 H new ATOM 0 HE1 TYR A 1 15.695 16.600 -13.365 1.00 0.00 H new ATOM 0 HE2 TYR A 1 13.468 20.063 -12.266 1.00 0.00 H new ATOM 0 HH TYR A 1 15.541 20.150 -13.022 1.00 0.00 H new ATOM 24 N HIS A 2 9.585 15.114 -9.666 1.00 0.00 N ATOM 25 CA HIS A 2 8.717 15.312 -8.512 1.00 0.00 C ATOM 26 C HIS A 2 8.268 13.976 -7.930 1.00 0.00 C ATOM 27 O HIS A 2 7.120 13.565 -8.103 1.00 0.00 O ATOM 28 CB HIS A 2 7.497 16.146 -8.907 1.00 0.00 C ATOM 29 CG HIS A 2 7.850 17.468 -9.515 1.00 0.00 C ATOM 30 ND1 HIS A 2 8.922 18.226 -9.097 1.00 0.00 N ATOM 31 CD2 HIS A 2 7.267 18.165 -10.520 1.00 0.00 C ATOM 32 CE1 HIS A 2 8.984 19.333 -9.815 1.00 0.00 C ATOM 33 NE2 HIS A 2 7.991 19.320 -10.685 1.00 0.00 N ATOM 0 H HIS A 2 9.093 15.054 -10.558 1.00 0.00 H new ATOM 0 HA HIS A 2 9.284 15.845 -7.749 1.00 0.00 H new ATOM 0 HB2 HIS A 2 6.893 15.579 -9.615 1.00 0.00 H new ATOM 0 HB3 HIS A 2 6.880 16.314 -8.024 1.00 0.00 H new ATOM 0 HD2 HIS A 2 6.396 17.868 -11.085 1.00 0.00 H new ATOM 0 HE1 HIS A 2 9.721 20.115 -9.709 1.00 0.00 H new ATOM 0 HE2 HIS A 2 7.794 20.050 -11.369 1.00 0.00 H new ATOM 42 N ALA A 3 9.180 13.303 -7.236 1.00 0.00 N ATOM 43 CA ALA A 3 8.880 12.014 -6.625 1.00 0.00 C ATOM 44 C ALA A 3 7.669 12.112 -5.704 1.00 0.00 C ATOM 45 O ALA A 3 7.170 13.204 -5.432 1.00 0.00 O ATOM 46 CB ALA A 3 10.088 11.500 -5.857 1.00 0.00 C ATOM 0 H ALA A 3 10.134 13.630 -7.083 1.00 0.00 H new ATOM 0 HA ALA A 3 8.642 11.309 -7.422 1.00 0.00 H new ATOM 0 HB1 ALA A 3 9.850 10.537 -5.406 1.00 0.00 H new ATOM 0 HB2 ALA A 3 10.930 11.383 -6.539 1.00 0.00 H new ATOM 0 HB3 ALA A 3 10.351 12.212 -5.075 1.00 0.00 H new ATOM 52 N ASP A 4 7.202 10.964 -5.225 1.00 0.00 N ATOM 53 CA ASP A 4 6.051 10.920 -4.330 1.00 0.00 C ATOM 54 C ASP A 4 6.307 9.967 -3.165 1.00 0.00 C ATOM 55 O ASP A 4 5.686 8.909 -3.069 1.00 0.00 O ATOM 56 CB ASP A 4 4.799 10.486 -5.097 1.00 0.00 C ATOM 57 CG ASP A 4 3.829 11.631 -5.325 1.00 0.00 C ATOM 58 OD1 ASP A 4 4.076 12.735 -4.795 1.00 0.00 O ATOM 59 OD2 ASP A 4 2.821 11.422 -6.033 1.00 0.00 O ATOM 0 H ASP A 4 7.603 10.051 -5.441 1.00 0.00 H new ATOM 0 HA ASP A 4 5.892 11.921 -3.929 1.00 0.00 H new ATOM 0 HB2 ASP A 4 5.094 10.067 -6.059 1.00 0.00 H new ATOM 0 HB3 ASP A 4 4.296 9.693 -4.545 1.00 0.00 H new ATOM 64 N PRO A 5 7.234 10.331 -2.261 1.00 0.00 N ATOM 65 CA PRO A 5 7.569 9.504 -1.099 1.00 0.00 C ATOM 66 C PRO A 5 6.333 9.090 -0.308 1.00 0.00 C ATOM 67 O PRO A 5 6.316 8.040 0.334 1.00 0.00 O ATOM 68 CB PRO A 5 8.459 10.417 -0.256 1.00 0.00 C ATOM 69 CG PRO A 5 9.063 11.363 -1.235 1.00 0.00 C ATOM 70 CD PRO A 5 8.022 11.577 -2.299 1.00 0.00 C ATOM 0 HA PRO A 5 8.049 8.569 -1.390 1.00 0.00 H new ATOM 0 HB2 PRO A 5 7.880 10.946 0.501 1.00 0.00 H new ATOM 0 HB3 PRO A 5 9.226 9.848 0.270 1.00 0.00 H new ATOM 0 HG2 PRO A 5 9.330 12.304 -0.755 1.00 0.00 H new ATOM 0 HG3 PRO A 5 9.978 10.952 -1.661 1.00 0.00 H new ATOM 0 HD2 PRO A 5 7.404 12.450 -2.087 1.00 0.00 H new ATOM 0 HD3 PRO A 5 8.475 11.737 -3.278 1.00 0.00 H new ATOM 78 N SER A 6 5.300 9.926 -0.355 1.00 0.00 N ATOM 79 CA SER A 6 4.059 9.648 0.357 1.00 0.00 C ATOM 80 C SER A 6 3.275 8.536 -0.331 1.00 0.00 C ATOM 81 O SER A 6 2.153 8.747 -0.792 1.00 0.00 O ATOM 82 CB SER A 6 3.203 10.912 0.444 1.00 0.00 C ATOM 83 OG SER A 6 2.496 10.966 1.671 1.00 0.00 O ATOM 0 H SER A 6 5.299 10.801 -0.879 1.00 0.00 H new ATOM 0 HA SER A 6 4.313 9.319 1.365 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.838 11.792 0.348 1.00 0.00 H new ATOM 0 HB3 SER A 6 2.498 10.935 -0.387 1.00 0.00 H new ATOM 0 HG SER A 6 1.958 11.784 1.703 1.00 0.00 H new ATOM 89 N LEU A 7 3.874 7.352 -0.397 1.00 0.00 N ATOM 90 CA LEU A 7 3.232 6.205 -1.025 1.00 0.00 C ATOM 91 C LEU A 7 4.128 4.974 -0.944 1.00 0.00 C ATOM 92 O LEU A 7 3.694 3.905 -0.516 1.00 0.00 O ATOM 93 CB LEU A 7 2.892 6.522 -2.487 1.00 0.00 C ATOM 94 CG LEU A 7 2.515 5.320 -3.365 1.00 0.00 C ATOM 95 CD1 LEU A 7 3.757 4.556 -3.795 1.00 0.00 C ATOM 96 CD2 LEU A 7 1.539 4.396 -2.650 1.00 0.00 C ATOM 0 H LEU A 7 4.804 7.162 -0.023 1.00 0.00 H new ATOM 0 HA LEU A 7 2.308 5.991 -0.488 1.00 0.00 H new ATOM 0 HB2 LEU A 7 2.065 7.231 -2.502 1.00 0.00 H new ATOM 0 HB3 LEU A 7 3.749 7.022 -2.939 1.00 0.00 H new ATOM 0 HG LEU A 7 2.020 5.704 -4.257 1.00 0.00 H new ATOM 0 HD11 LEU A 7 3.466 3.709 -4.416 1.00 0.00 H new ATOM 0 HD12 LEU A 7 4.411 5.216 -4.365 1.00 0.00 H new ATOM 0 HD13 LEU A 7 4.286 4.195 -2.913 1.00 0.00 H new ATOM 0 HD21 LEU A 7 1.292 3.555 -3.298 1.00 0.00 H new ATOM 0 HD22 LEU A 7 1.995 4.025 -1.732 1.00 0.00 H new ATOM 0 HD23 LEU A 7 0.630 4.945 -2.407 1.00 0.00 H new ATOM 108 N VAL A 8 5.382 5.131 -1.358 1.00 0.00 N ATOM 109 CA VAL A 8 6.340 4.033 -1.324 1.00 0.00 C ATOM 110 C VAL A 8 6.644 3.625 0.114 1.00 0.00 C ATOM 111 O VAL A 8 6.871 2.450 0.401 1.00 0.00 O ATOM 112 CB VAL A 8 7.655 4.408 -2.031 1.00 0.00 C ATOM 113 CG1 VAL A 8 8.292 5.621 -1.369 1.00 0.00 C ATOM 114 CG2 VAL A 8 8.616 3.229 -2.039 1.00 0.00 C ATOM 0 H VAL A 8 5.757 6.007 -1.720 1.00 0.00 H new ATOM 0 HA VAL A 8 5.885 3.195 -1.852 1.00 0.00 H new ATOM 0 HB VAL A 8 7.427 4.666 -3.065 1.00 0.00 H new ATOM 0 HG11 VAL A 8 9.220 5.870 -1.883 1.00 0.00 H new ATOM 0 HG12 VAL A 8 7.608 6.467 -1.425 1.00 0.00 H new ATOM 0 HG13 VAL A 8 8.505 5.395 -0.324 1.00 0.00 H new ATOM 0 HG21 VAL A 8 9.539 3.515 -2.543 1.00 0.00 H new ATOM 0 HG22 VAL A 8 8.839 2.935 -1.014 1.00 0.00 H new ATOM 0 HG23 VAL A 8 8.160 2.391 -2.566 1.00 0.00 H new ATOM 124 N SER A 9 6.639 4.603 1.013 1.00 0.00 N ATOM 125 CA SER A 9 6.905 4.347 2.423 1.00 0.00 C ATOM 126 C SER A 9 5.747 3.587 3.061 1.00 0.00 C ATOM 127 O SER A 9 5.937 2.838 4.021 1.00 0.00 O ATOM 128 CB SER A 9 7.139 5.664 3.166 1.00 0.00 C ATOM 129 OG SER A 9 7.464 6.709 2.264 1.00 0.00 O ATOM 0 H SER A 9 6.453 5.581 0.790 1.00 0.00 H new ATOM 0 HA SER A 9 7.804 3.734 2.495 1.00 0.00 H new ATOM 0 HB2 SER A 9 6.245 5.931 3.729 1.00 0.00 H new ATOM 0 HB3 SER A 9 7.946 5.539 3.888 1.00 0.00 H new ATOM 0 HG SER A 9 6.640 7.121 1.930 1.00 0.00 H new ATOM 135 N PHE A 10 4.549 3.780 2.518 1.00 0.00 N ATOM 136 CA PHE A 10 3.361 3.108 3.028 1.00 0.00 C ATOM 137 C PHE A 10 3.209 1.727 2.400 1.00 0.00 C ATOM 138 O PHE A 10 2.980 0.739 3.097 1.00 0.00 O ATOM 139 CB PHE A 10 2.115 3.951 2.749 1.00 0.00 C ATOM 140 CG PHE A 10 1.727 4.844 3.892 1.00 0.00 C ATOM 141 CD1 PHE A 10 2.463 5.982 4.180 1.00 0.00 C ATOM 142 CD2 PHE A 10 0.629 4.543 4.681 1.00 0.00 C ATOM 143 CE1 PHE A 10 2.110 6.803 5.233 1.00 0.00 C ATOM 144 CE2 PHE A 10 0.270 5.362 5.734 1.00 0.00 C ATOM 145 CZ PHE A 10 1.012 6.493 6.011 1.00 0.00 C ATOM 0 H PHE A 10 4.376 4.397 1.724 1.00 0.00 H new ATOM 0 HA PHE A 10 3.474 2.987 4.105 1.00 0.00 H new ATOM 0 HB2 PHE A 10 2.291 4.563 1.864 1.00 0.00 H new ATOM 0 HB3 PHE A 10 1.282 3.288 2.518 1.00 0.00 H new ATOM 0 HD1 PHE A 10 3.322 6.230 3.574 1.00 0.00 H new ATOM 0 HD2 PHE A 10 0.047 3.658 4.471 1.00 0.00 H new ATOM 0 HE1 PHE A 10 2.692 7.687 5.448 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -0.590 5.118 6.340 1.00 0.00 H new ATOM 0 HZ PHE A 10 0.734 7.134 6.835 1.00 0.00 H new ATOM 155 N LEU A 11 3.346 1.665 1.078 1.00 0.00 N ATOM 156 CA LEU A 11 3.238 0.401 0.359 1.00 0.00 C ATOM 157 C LEU A 11 4.175 -0.634 0.964 1.00 0.00 C ATOM 158 O LEU A 11 3.774 -1.762 1.247 1.00 0.00 O ATOM 159 CB LEU A 11 3.566 0.606 -1.125 1.00 0.00 C ATOM 160 CG LEU A 11 2.882 -0.364 -2.095 1.00 0.00 C ATOM 161 CD1 LEU A 11 3.585 -1.713 -2.089 1.00 0.00 C ATOM 162 CD2 LEU A 11 1.410 -0.524 -1.748 1.00 0.00 C ATOM 0 H LEU A 11 3.532 2.474 0.485 1.00 0.00 H new ATOM 0 HA LEU A 11 2.214 0.038 0.446 1.00 0.00 H new ATOM 0 HB2 LEU A 11 3.290 1.623 -1.402 1.00 0.00 H new ATOM 0 HB3 LEU A 11 4.645 0.521 -1.255 1.00 0.00 H new ATOM 0 HG LEU A 11 2.951 0.053 -3.100 1.00 0.00 H new ATOM 0 HD11 LEU A 11 3.084 -2.387 -2.784 1.00 0.00 H new ATOM 0 HD12 LEU A 11 4.623 -1.583 -2.394 1.00 0.00 H new ATOM 0 HD13 LEU A 11 3.552 -2.136 -1.085 1.00 0.00 H new ATOM 0 HD21 LEU A 11 0.944 -1.217 -2.449 1.00 0.00 H new ATOM 0 HD22 LEU A 11 1.315 -0.915 -0.735 1.00 0.00 H new ATOM 0 HD23 LEU A 11 0.914 0.445 -1.811 1.00 0.00 H new ATOM 174 N THR A 12 5.422 -0.233 1.170 1.00 0.00 N ATOM 175 CA THR A 12 6.412 -1.109 1.776 1.00 0.00 C ATOM 176 C THR A 12 6.252 -1.111 3.289 1.00 0.00 C ATOM 177 O THR A 12 6.335 -2.157 3.936 1.00 0.00 O ATOM 178 CB THR A 12 7.824 -0.657 1.403 1.00 0.00 C ATOM 179 OG1 THR A 12 8.037 -0.778 0.007 1.00 0.00 O ATOM 180 CG2 THR A 12 8.910 -1.440 2.106 1.00 0.00 C ATOM 0 H THR A 12 5.771 0.694 0.926 1.00 0.00 H new ATOM 0 HA THR A 12 6.257 -2.120 1.400 1.00 0.00 H new ATOM 0 HB THR A 12 7.888 0.383 1.722 1.00 0.00 H new ATOM 0 HG1 THR A 12 8.945 -0.482 -0.212 1.00 0.00 H new ATOM 0 HG21 THR A 12 9.886 -1.067 1.796 1.00 0.00 H new ATOM 0 HG22 THR A 12 8.803 -1.323 3.184 1.00 0.00 H new ATOM 0 HG23 THR A 12 8.825 -2.495 1.845 1.00 0.00 H new ATOM 188 N GLY A 13 5.998 0.072 3.846 1.00 0.00 N ATOM 189 CA GLY A 13 5.811 0.199 5.279 1.00 0.00 C ATOM 190 C GLY A 13 4.828 -0.818 5.820 1.00 0.00 C ATOM 191 O GLY A 13 4.946 -1.257 6.964 1.00 0.00 O ATOM 0 H GLY A 13 5.919 0.946 3.327 1.00 0.00 H new ATOM 0 HA2 GLY A 13 6.771 0.077 5.781 1.00 0.00 H new ATOM 0 HA3 GLY A 13 5.456 1.203 5.510 1.00 0.00 H new ATOM 195 N LEU A 14 3.859 -1.198 4.993 1.00 0.00 N ATOM 196 CA LEU A 14 2.875 -2.190 5.384 1.00 0.00 C ATOM 197 C LEU A 14 3.552 -3.495 5.796 1.00 0.00 C ATOM 198 O LEU A 14 2.962 -4.319 6.493 1.00 0.00 O ATOM 199 CB LEU A 14 1.917 -2.451 4.218 1.00 0.00 C ATOM 200 CG LEU A 14 0.420 -2.487 4.559 1.00 0.00 C ATOM 201 CD1 LEU A 14 0.178 -2.939 5.995 1.00 0.00 C ATOM 202 CD2 LEU A 14 -0.210 -1.126 4.314 1.00 0.00 C ATOM 0 H LEU A 14 3.738 -0.831 4.049 1.00 0.00 H new ATOM 0 HA LEU A 14 2.318 -1.806 6.239 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.077 -1.680 3.465 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.186 -3.403 3.761 1.00 0.00 H new ATOM 0 HG LEU A 14 -0.052 -3.218 3.903 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.893 -2.951 6.197 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.585 -3.940 6.135 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.669 -2.249 6.681 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.271 -1.167 4.560 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.279 -0.380 4.941 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.091 -0.853 3.265 1.00 0.00 H new ATOM 214 N GLY A 15 4.794 -3.678 5.352 1.00 0.00 N ATOM 215 CA GLY A 15 5.524 -4.890 5.662 1.00 0.00 C ATOM 216 C GLY A 15 5.820 -5.713 4.423 1.00 0.00 C ATOM 217 O GLY A 15 6.106 -6.907 4.516 1.00 0.00 O ATOM 0 H GLY A 15 5.306 -3.005 4.782 1.00 0.00 H new ATOM 0 HA2 GLY A 15 6.460 -4.632 6.157 1.00 0.00 H new ATOM 0 HA3 GLY A 15 4.947 -5.490 6.365 1.00 0.00 H new ATOM 221 N CYS A 16 5.748 -5.074 3.258 1.00 0.00 N ATOM 222 CA CYS A 16 6.004 -5.756 1.994 1.00 0.00 C ATOM 223 C CYS A 16 7.154 -5.094 1.239 1.00 0.00 C ATOM 224 O CYS A 16 6.931 -4.341 0.291 1.00 0.00 O ATOM 225 CB CYS A 16 4.745 -5.755 1.120 1.00 0.00 C ATOM 226 SG CYS A 16 3.195 -5.896 2.044 1.00 0.00 S ATOM 0 H CYS A 16 5.515 -4.086 3.164 1.00 0.00 H new ATOM 0 HA CYS A 16 6.282 -6.785 2.220 1.00 0.00 H new ATOM 0 HB2 CYS A 16 4.723 -4.835 0.536 1.00 0.00 H new ATOM 0 HB3 CYS A 16 4.808 -6.581 0.412 1.00 0.00 H new ATOM 0 HG CYS A 16 2.458 -4.850 1.817 1.00 0.00 H new ATOM 232 N PRO A 17 8.404 -5.381 1.640 1.00 0.00 N ATOM 233 CA PRO A 17 9.588 -4.806 1.004 1.00 0.00 C ATOM 234 C PRO A 17 10.035 -5.582 -0.233 1.00 0.00 C ATOM 235 O PRO A 17 11.146 -5.387 -0.728 1.00 0.00 O ATOM 236 CB PRO A 17 10.639 -4.912 2.105 1.00 0.00 C ATOM 237 CG PRO A 17 10.263 -6.141 2.863 1.00 0.00 C ATOM 238 CD PRO A 17 8.762 -6.266 2.765 1.00 0.00 C ATOM 0 HA PRO A 17 9.409 -3.793 0.642 1.00 0.00 H new ATOM 0 HB2 PRO A 17 11.643 -4.994 1.689 1.00 0.00 H new ATOM 0 HB3 PRO A 17 10.631 -4.031 2.747 1.00 0.00 H new ATOM 0 HG2 PRO A 17 10.753 -7.020 2.444 1.00 0.00 H new ATOM 0 HG3 PRO A 17 10.578 -6.066 3.904 1.00 0.00 H new ATOM 0 HD2 PRO A 17 8.459 -7.296 2.575 1.00 0.00 H new ATOM 0 HD3 PRO A 17 8.274 -5.955 3.689 1.00 0.00 H new ATOM 246 N ASN A 18 9.170 -6.463 -0.729 1.00 0.00 N ATOM 247 CA ASN A 18 9.488 -7.263 -1.906 1.00 0.00 C ATOM 248 C ASN A 18 8.257 -7.455 -2.786 1.00 0.00 C ATOM 249 O ASN A 18 8.167 -8.422 -3.541 1.00 0.00 O ATOM 250 CB ASN A 18 10.043 -8.627 -1.483 1.00 0.00 C ATOM 251 CG ASN A 18 10.755 -9.339 -2.617 1.00 0.00 C ATOM 252 OD1 ASN A 18 10.119 -9.935 -3.486 1.00 0.00 O ATOM 253 ND2 ASN A 18 12.081 -9.280 -2.612 1.00 0.00 N ATOM 0 H ASN A 18 8.246 -6.640 -0.335 1.00 0.00 H new ATOM 0 HA ASN A 18 10.244 -6.730 -2.483 1.00 0.00 H new ATOM 0 HB2 ASN A 18 10.734 -8.493 -0.651 1.00 0.00 H new ATOM 0 HB3 ASN A 18 9.227 -9.252 -1.121 1.00 0.00 H new ATOM 0 HD21 ASN A 18 12.615 -9.740 -3.349 1.00 0.00 H new ATOM 0 HD22 ASN A 18 12.566 -8.774 -1.871 1.00 0.00 H new ATOM 260 N CYS A 19 7.312 -6.525 -2.686 1.00 0.00 N ATOM 261 CA CYS A 19 6.085 -6.599 -3.470 1.00 0.00 C ATOM 262 C CYS A 19 5.928 -5.378 -4.369 1.00 0.00 C ATOM 263 O CYS A 19 5.404 -5.476 -5.480 1.00 0.00 O ATOM 264 CB CYS A 19 4.873 -6.724 -2.546 1.00 0.00 C ATOM 265 SG CYS A 19 3.641 -7.926 -3.099 1.00 0.00 S ATOM 0 H CYS A 19 7.373 -5.713 -2.071 1.00 0.00 H new ATOM 0 HA CYS A 19 6.147 -7.483 -4.104 1.00 0.00 H new ATOM 0 HB2 CYS A 19 5.217 -7.004 -1.550 1.00 0.00 H new ATOM 0 HB3 CYS A 19 4.397 -5.748 -2.456 1.00 0.00 H new ATOM 0 HG CYS A 19 2.787 -7.341 -3.885 1.00 0.00 H new ATOM 271 N ILE A 20 6.384 -4.225 -3.886 1.00 0.00 N ATOM 272 CA ILE A 20 6.293 -2.984 -4.648 1.00 0.00 C ATOM 273 C ILE A 20 6.760 -3.183 -6.087 1.00 0.00 C ATOM 274 O ILE A 20 6.306 -2.494 -6.999 1.00 0.00 O ATOM 275 CB ILE A 20 7.132 -1.869 -3.994 1.00 0.00 C ATOM 276 CG1 ILE A 20 7.038 -0.574 -4.806 1.00 0.00 C ATOM 277 CG2 ILE A 20 8.578 -2.315 -3.860 1.00 0.00 C ATOM 278 CD1 ILE A 20 6.386 0.566 -4.056 1.00 0.00 C ATOM 0 H ILE A 20 6.820 -4.125 -2.970 1.00 0.00 H new ATOM 0 HA ILE A 20 5.244 -2.688 -4.652 1.00 0.00 H new ATOM 0 HB ILE A 20 6.734 -1.672 -2.998 1.00 0.00 H new ATOM 0 HG12 ILE A 20 8.040 -0.272 -5.109 1.00 0.00 H new ATOM 0 HG13 ILE A 20 6.474 -0.767 -5.718 1.00 0.00 H new ATOM 0 HG21 ILE A 20 9.163 -1.520 -3.397 1.00 0.00 H new ATOM 0 HG22 ILE A 20 8.627 -3.210 -3.240 1.00 0.00 H new ATOM 0 HG23 ILE A 20 8.984 -2.535 -4.847 1.00 0.00 H new ATOM 0 HD11 ILE A 20 6.354 1.450 -4.693 1.00 0.00 H new ATOM 0 HD12 ILE A 20 5.371 0.284 -3.776 1.00 0.00 H new ATOM 0 HD13 ILE A 20 6.962 0.787 -3.158 1.00 0.00 H new ATOM 290 N GLU A 21 7.658 -4.138 -6.287 1.00 0.00 N ATOM 291 CA GLU A 21 8.169 -4.435 -7.618 1.00 0.00 C ATOM 292 C GLU A 21 7.036 -4.846 -8.548 1.00 0.00 C ATOM 293 O GLU A 21 6.942 -4.376 -9.682 1.00 0.00 O ATOM 294 CB GLU A 21 9.204 -5.556 -7.546 1.00 0.00 C ATOM 295 CG GLU A 21 10.294 -5.312 -6.517 1.00 0.00 C ATOM 296 CD GLU A 21 11.641 -5.858 -6.948 1.00 0.00 C ATOM 297 OE1 GLU A 21 11.739 -7.082 -7.175 1.00 0.00 O ATOM 298 OE2 GLU A 21 12.597 -5.063 -7.055 1.00 0.00 O ATOM 0 H GLU A 21 8.047 -4.720 -5.545 1.00 0.00 H new ATOM 0 HA GLU A 21 8.639 -3.534 -8.012 1.00 0.00 H new ATOM 0 HB2 GLU A 21 8.698 -6.492 -7.311 1.00 0.00 H new ATOM 0 HB3 GLU A 21 9.663 -5.679 -8.527 1.00 0.00 H new ATOM 0 HG2 GLU A 21 10.382 -4.241 -6.335 1.00 0.00 H new ATOM 0 HG3 GLU A 21 10.005 -5.773 -5.572 1.00 0.00 H new ATOM 305 N TYR A 22 6.183 -5.736 -8.058 1.00 0.00 N ATOM 306 CA TYR A 22 5.051 -6.223 -8.835 1.00 0.00 C ATOM 307 C TYR A 22 3.915 -5.207 -8.834 1.00 0.00 C ATOM 308 O TYR A 22 3.128 -5.139 -9.779 1.00 0.00 O ATOM 309 CB TYR A 22 4.558 -7.558 -8.274 1.00 0.00 C ATOM 310 CG TYR A 22 5.653 -8.590 -8.118 1.00 0.00 C ATOM 311 CD1 TYR A 22 6.477 -8.594 -6.999 1.00 0.00 C ATOM 312 CD2 TYR A 22 5.866 -9.558 -9.092 1.00 0.00 C ATOM 313 CE1 TYR A 22 7.481 -9.533 -6.854 1.00 0.00 C ATOM 314 CE2 TYR A 22 6.867 -10.501 -8.955 1.00 0.00 C ATOM 315 CZ TYR A 22 7.671 -10.484 -7.835 1.00 0.00 C ATOM 316 OH TYR A 22 8.669 -11.421 -7.694 1.00 0.00 O ATOM 0 H TYR A 22 6.254 -6.136 -7.123 1.00 0.00 H new ATOM 0 HA TYR A 22 5.383 -6.369 -9.863 1.00 0.00 H new ATOM 0 HB2 TYR A 22 4.092 -7.385 -7.304 1.00 0.00 H new ATOM 0 HB3 TYR A 22 3.786 -7.956 -8.932 1.00 0.00 H new ATOM 0 HD1 TYR A 22 6.330 -7.851 -6.229 1.00 0.00 H new ATOM 0 HD2 TYR A 22 5.239 -9.574 -9.971 1.00 0.00 H new ATOM 0 HE1 TYR A 22 8.113 -9.522 -5.978 1.00 0.00 H new ATOM 0 HE2 TYR A 22 7.019 -11.247 -9.721 1.00 0.00 H new ATOM 0 HH TYR A 22 8.669 -12.018 -8.471 1.00 0.00 H new ATOM 326 N PHE A 23 3.834 -4.420 -7.767 1.00 0.00 N ATOM 327 CA PHE A 23 2.796 -3.406 -7.643 1.00 0.00 C ATOM 328 C PHE A 23 3.127 -2.184 -8.493 1.00 0.00 C ATOM 329 O PHE A 23 2.265 -1.645 -9.186 1.00 0.00 O ATOM 330 CB PHE A 23 2.629 -2.996 -6.177 1.00 0.00 C ATOM 331 CG PHE A 23 1.630 -3.833 -5.430 1.00 0.00 C ATOM 332 CD1 PHE A 23 0.270 -3.626 -5.594 1.00 0.00 C ATOM 333 CD2 PHE A 23 2.051 -4.829 -4.562 1.00 0.00 C ATOM 334 CE1 PHE A 23 -0.651 -4.394 -4.908 1.00 0.00 C ATOM 335 CE2 PHE A 23 1.135 -5.601 -3.873 1.00 0.00 C ATOM 336 CZ PHE A 23 -0.218 -5.383 -4.046 1.00 0.00 C ATOM 0 H PHE A 23 4.476 -4.466 -6.975 1.00 0.00 H new ATOM 0 HA PHE A 23 1.859 -3.832 -8.002 1.00 0.00 H new ATOM 0 HB2 PHE A 23 3.595 -3.065 -5.677 1.00 0.00 H new ATOM 0 HB3 PHE A 23 2.321 -1.951 -6.133 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -0.075 -2.854 -6.267 1.00 0.00 H new ATOM 0 HD2 PHE A 23 3.108 -5.004 -4.423 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -1.708 -4.221 -5.045 1.00 0.00 H new ATOM 0 HE2 PHE A 23 1.477 -6.374 -3.200 1.00 0.00 H new ATOM 0 HZ PHE A 23 -0.936 -5.985 -3.508 1.00 0.00 H new ATOM 346 N THR A 24 4.386 -1.756 -8.443 1.00 0.00 N ATOM 347 CA THR A 24 4.830 -0.602 -9.216 1.00 0.00 C ATOM 348 C THR A 24 4.800 -0.908 -10.709 1.00 0.00 C ATOM 349 O THR A 24 4.611 -0.013 -11.534 1.00 0.00 O ATOM 350 CB THR A 24 6.242 -0.190 -8.795 1.00 0.00 C ATOM 351 OG1 THR A 24 6.603 1.043 -9.393 1.00 0.00 O ATOM 352 CG2 THR A 24 7.299 -1.208 -9.162 1.00 0.00 C ATOM 0 H THR A 24 5.114 -2.191 -7.876 1.00 0.00 H new ATOM 0 HA THR A 24 4.146 0.223 -9.017 1.00 0.00 H new ATOM 0 HB THR A 24 6.207 -0.107 -7.709 1.00 0.00 H new ATOM 0 HG1 THR A 24 7.508 1.291 -9.111 1.00 0.00 H new ATOM 0 HG21 THR A 24 8.276 -0.852 -8.834 1.00 0.00 H new ATOM 0 HG22 THR A 24 7.076 -2.157 -8.674 1.00 0.00 H new ATOM 0 HG23 THR A 24 7.308 -1.350 -10.243 1.00 0.00 H new ATOM 360 N SER A 25 4.981 -2.180 -11.049 1.00 0.00 N ATOM 361 CA SER A 25 4.964 -2.609 -12.442 1.00 0.00 C ATOM 362 C SER A 25 3.680 -2.163 -13.135 1.00 0.00 C ATOM 363 O SER A 25 3.633 -2.047 -14.360 1.00 0.00 O ATOM 364 CB SER A 25 5.102 -4.130 -12.530 1.00 0.00 C ATOM 365 OG SER A 25 6.417 -4.543 -12.199 1.00 0.00 O ATOM 0 H SER A 25 5.141 -2.932 -10.378 1.00 0.00 H new ATOM 0 HA SER A 25 5.809 -2.143 -12.949 1.00 0.00 H new ATOM 0 HB2 SER A 25 4.388 -4.603 -11.855 1.00 0.00 H new ATOM 0 HB3 SER A 25 4.856 -4.463 -13.538 1.00 0.00 H new ATOM 0 HG SER A 25 6.465 -4.746 -11.241 1.00 0.00 H new ATOM 371 N GLN A 26 2.641 -1.909 -12.344 1.00 0.00 N ATOM 372 CA GLN A 26 1.356 -1.474 -12.883 1.00 0.00 C ATOM 373 C GLN A 26 1.202 0.036 -12.750 1.00 0.00 C ATOM 374 O GLN A 26 0.981 0.740 -13.736 1.00 0.00 O ATOM 375 CB GLN A 26 0.206 -2.173 -12.155 1.00 0.00 C ATOM 376 CG GLN A 26 0.537 -3.585 -11.705 1.00 0.00 C ATOM 377 CD GLN A 26 0.903 -4.492 -12.858 1.00 0.00 C ATOM 378 OE1 GLN A 26 1.625 -4.095 -13.773 1.00 0.00 O ATOM 379 NE2 GLN A 26 0.407 -5.719 -12.818 1.00 0.00 N ATOM 0 H GLN A 26 2.664 -1.997 -11.328 1.00 0.00 H new ATOM 0 HA GLN A 26 1.325 -1.742 -13.939 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -0.075 -1.580 -11.285 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -0.663 -2.205 -12.813 1.00 0.00 H new ATOM 0 HG2 GLN A 26 1.365 -3.552 -10.997 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -0.319 -4.004 -11.176 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -0.187 -6.004 -12.039 1.00 0.00 H new ATOM 0 HE22 GLN A 26 0.619 -6.379 -13.566 1.00 0.00 H new ATOM 388 N GLY A 27 1.317 0.523 -11.520 1.00 0.00 N ATOM 389 CA GLY A 27 1.187 1.943 -11.265 1.00 0.00 C ATOM 390 C GLY A 27 0.948 2.242 -9.800 1.00 0.00 C ATOM 391 O GLY A 27 0.110 3.076 -9.458 1.00 0.00 O ATOM 0 H GLY A 27 1.499 -0.044 -10.692 1.00 0.00 H new ATOM 0 HA2 GLY A 27 2.091 2.454 -11.595 1.00 0.00 H new ATOM 0 HA3 GLY A 27 0.362 2.342 -11.855 1.00 0.00 H new ATOM 395 N LEU A 28 1.693 1.565 -8.931 1.00 0.00 N ATOM 396 CA LEU A 28 1.553 1.764 -7.495 1.00 0.00 C ATOM 397 C LEU A 28 2.637 2.696 -6.969 1.00 0.00 C ATOM 398 O LEU A 28 3.188 2.482 -5.889 1.00 0.00 O ATOM 399 CB LEU A 28 1.606 0.422 -6.760 1.00 0.00 C ATOM 400 CG LEU A 28 0.334 0.058 -5.992 1.00 0.00 C ATOM 401 CD1 LEU A 28 0.169 0.959 -4.779 1.00 0.00 C ATOM 402 CD2 LEU A 28 -0.884 0.154 -6.900 1.00 0.00 C ATOM 0 H LEU A 28 2.397 0.876 -9.196 1.00 0.00 H new ATOM 0 HA LEU A 28 0.583 2.226 -7.310 1.00 0.00 H new ATOM 0 HB2 LEU A 28 1.813 -0.365 -7.485 1.00 0.00 H new ATOM 0 HB3 LEU A 28 2.442 0.440 -6.061 1.00 0.00 H new ATOM 0 HG LEU A 28 0.423 -0.972 -5.646 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.741 0.686 -4.244 1.00 0.00 H new ATOM 0 HD12 LEU A 28 1.028 0.840 -4.118 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.102 1.997 -5.104 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -1.779 -0.108 -6.337 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.978 1.173 -7.277 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.768 -0.533 -7.738 1.00 0.00 H new ATOM 414 N GLN A 29 2.924 3.743 -7.734 1.00 0.00 N ATOM 415 CA GLN A 29 3.913 4.735 -7.336 1.00 0.00 C ATOM 416 C GLN A 29 3.217 5.957 -6.748 1.00 0.00 C ATOM 417 O GLN A 29 3.771 6.658 -5.904 1.00 0.00 O ATOM 418 CB GLN A 29 4.774 5.146 -8.532 1.00 0.00 C ATOM 419 CG GLN A 29 3.969 5.700 -9.697 1.00 0.00 C ATOM 420 CD GLN A 29 4.804 6.566 -10.621 1.00 0.00 C ATOM 421 OE1 GLN A 29 6.022 6.659 -10.471 1.00 0.00 O ATOM 422 NE2 GLN A 29 4.149 7.205 -11.583 1.00 0.00 N ATOM 0 H GLN A 29 2.484 3.926 -8.636 1.00 0.00 H new ATOM 0 HA GLN A 29 4.561 4.295 -6.579 1.00 0.00 H new ATOM 0 HB2 GLN A 29 5.495 5.897 -8.209 1.00 0.00 H new ATOM 0 HB3 GLN A 29 5.344 4.282 -8.873 1.00 0.00 H new ATOM 0 HG2 GLN A 29 3.543 4.873 -10.266 1.00 0.00 H new ATOM 0 HG3 GLN A 29 3.134 6.285 -9.312 1.00 0.00 H new ATOM 0 HE21 GLN A 29 3.138 7.098 -11.670 1.00 0.00 H new ATOM 0 HE22 GLN A 29 4.657 7.803 -12.235 1.00 0.00 H new ATOM 431 N SER A 30 1.984 6.186 -7.190 1.00 0.00 N ATOM 432 CA SER A 30 1.181 7.295 -6.694 1.00 0.00 C ATOM 433 C SER A 30 -0.038 6.767 -5.949 1.00 0.00 C ATOM 434 O SER A 30 -0.947 6.201 -6.554 1.00 0.00 O ATOM 435 CB SER A 30 0.742 8.193 -7.852 1.00 0.00 C ATOM 436 OG SER A 30 1.617 8.062 -8.959 1.00 0.00 O ATOM 0 H SER A 30 1.519 5.614 -7.895 1.00 0.00 H new ATOM 0 HA SER A 30 1.787 7.884 -6.006 1.00 0.00 H new ATOM 0 HB2 SER A 30 -0.273 7.933 -8.154 1.00 0.00 H new ATOM 0 HB3 SER A 30 0.720 9.232 -7.523 1.00 0.00 H new ATOM 0 HG SER A 30 1.314 8.645 -9.686 1.00 0.00 H new ATOM 442 N ILE A 31 -0.048 6.939 -4.628 1.00 0.00 N ATOM 443 CA ILE A 31 -1.152 6.455 -3.803 1.00 0.00 C ATOM 444 C ILE A 31 -2.504 6.829 -4.417 1.00 0.00 C ATOM 445 O ILE A 31 -3.503 6.140 -4.215 1.00 0.00 O ATOM 446 CB ILE A 31 -1.064 6.991 -2.356 1.00 0.00 C ATOM 447 CG1 ILE A 31 -1.942 6.149 -1.427 1.00 0.00 C ATOM 448 CG2 ILE A 31 -1.467 8.457 -2.285 1.00 0.00 C ATOM 449 CD1 ILE A 31 -1.160 5.404 -0.368 1.00 0.00 C ATOM 0 H ILE A 31 0.694 7.408 -4.108 1.00 0.00 H new ATOM 0 HA ILE A 31 -1.069 5.369 -3.768 1.00 0.00 H new ATOM 0 HB ILE A 31 -0.027 6.914 -2.029 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -2.669 6.799 -0.940 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -2.505 5.431 -2.024 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -1.395 8.805 -1.254 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -0.802 9.048 -2.915 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -2.493 8.570 -2.635 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -1.846 4.829 0.254 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -0.451 4.729 -0.847 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -0.618 6.117 0.254 1.00 0.00 H new ATOM 461 N TYR A 32 -2.518 7.921 -5.173 1.00 0.00 N ATOM 462 CA TYR A 32 -3.732 8.368 -5.842 1.00 0.00 C ATOM 463 C TYR A 32 -4.268 7.279 -6.766 1.00 0.00 C ATOM 464 O TYR A 32 -5.453 7.264 -7.099 1.00 0.00 O ATOM 465 CB TYR A 32 -3.456 9.645 -6.639 1.00 0.00 C ATOM 466 CG TYR A 32 -3.781 10.913 -5.881 1.00 0.00 C ATOM 467 CD1 TYR A 32 -3.132 11.220 -4.692 1.00 0.00 C ATOM 468 CD2 TYR A 32 -4.742 11.798 -6.354 1.00 0.00 C ATOM 469 CE1 TYR A 32 -3.430 12.378 -3.997 1.00 0.00 C ATOM 470 CE2 TYR A 32 -5.044 12.957 -5.664 1.00 0.00 C ATOM 471 CZ TYR A 32 -4.387 13.241 -4.486 1.00 0.00 C ATOM 472 OH TYR A 32 -4.685 14.394 -3.797 1.00 0.00 O ATOM 0 H TYR A 32 -1.703 8.512 -5.337 1.00 0.00 H new ATOM 0 HA TYR A 32 -4.485 8.580 -5.083 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -2.405 9.663 -6.928 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -4.039 9.622 -7.560 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -2.384 10.545 -4.305 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -5.261 11.577 -7.275 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -2.915 12.605 -3.075 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -5.791 13.637 -6.046 1.00 0.00 H new ATOM 0 HH TYR A 32 -5.380 14.892 -4.277 1.00 0.00 H new ATOM 482 N HIS A 33 -3.389 6.364 -7.172 1.00 0.00 N ATOM 483 CA HIS A 33 -3.779 5.267 -8.048 1.00 0.00 C ATOM 484 C HIS A 33 -4.368 4.105 -7.248 1.00 0.00 C ATOM 485 O HIS A 33 -5.065 3.253 -7.799 1.00 0.00 O ATOM 486 CB HIS A 33 -2.574 4.786 -8.858 1.00 0.00 C ATOM 487 CG HIS A 33 -2.896 3.685 -9.820 1.00 0.00 C ATOM 488 ND1 HIS A 33 -3.363 3.915 -11.098 1.00 0.00 N ATOM 489 CD2 HIS A 33 -2.810 2.340 -9.689 1.00 0.00 C ATOM 490 CE1 HIS A 33 -3.554 2.758 -11.708 1.00 0.00 C ATOM 491 NE2 HIS A 33 -3.227 1.789 -10.875 1.00 0.00 N ATOM 0 H HIS A 33 -2.404 6.363 -6.907 1.00 0.00 H new ATOM 0 HA HIS A 33 -4.546 5.635 -8.729 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -2.159 5.629 -9.410 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -1.800 4.442 -8.172 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -2.476 1.801 -8.815 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -3.916 2.628 -12.717 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -3.276 0.791 -11.079 1.00 0.00 H new ATOM 500 N LEU A 34 -4.084 4.075 -5.947 1.00 0.00 N ATOM 501 CA LEU A 34 -4.588 3.016 -5.080 1.00 0.00 C ATOM 502 C LEU A 34 -5.576 3.552 -4.043 1.00 0.00 C ATOM 503 O LEU A 34 -6.035 2.810 -3.176 1.00 0.00 O ATOM 504 CB LEU A 34 -3.424 2.327 -4.371 1.00 0.00 C ATOM 505 CG LEU A 34 -2.251 3.242 -4.003 1.00 0.00 C ATOM 506 CD1 LEU A 34 -1.480 2.674 -2.821 1.00 0.00 C ATOM 507 CD2 LEU A 34 -1.330 3.436 -5.198 1.00 0.00 C ATOM 0 H LEU A 34 -3.509 4.771 -5.473 1.00 0.00 H new ATOM 0 HA LEU A 34 -5.117 2.299 -5.708 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.799 1.860 -3.460 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -3.053 1.526 -5.010 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.651 4.214 -3.716 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.651 3.338 -2.575 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -2.144 2.588 -1.961 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.092 1.689 -3.079 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -0.503 4.088 -4.918 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.938 2.470 -5.516 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -1.888 3.889 -6.018 1.00 0.00 H new ATOM 519 N GLN A 35 -5.898 4.839 -4.132 1.00 0.00 N ATOM 520 CA GLN A 35 -6.823 5.458 -3.193 1.00 0.00 C ATOM 521 C GLN A 35 -8.134 4.684 -3.120 1.00 0.00 C ATOM 522 O GLN A 35 -8.739 4.570 -2.053 1.00 0.00 O ATOM 523 CB GLN A 35 -7.098 6.907 -3.600 1.00 0.00 C ATOM 524 CG GLN A 35 -7.493 7.799 -2.436 1.00 0.00 C ATOM 525 CD GLN A 35 -6.329 8.612 -1.904 1.00 0.00 C ATOM 526 OE1 GLN A 35 -5.512 9.121 -2.671 1.00 0.00 O ATOM 527 NE2 GLN A 35 -6.249 8.739 -0.585 1.00 0.00 N ATOM 0 H GLN A 35 -5.532 5.471 -4.844 1.00 0.00 H new ATOM 0 HA GLN A 35 -6.360 5.442 -2.206 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -6.208 7.318 -4.076 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -7.893 6.922 -4.345 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -8.288 8.474 -2.754 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -7.899 7.184 -1.633 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -6.949 8.300 0.013 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -5.488 9.276 -0.170 1.00 0.00 H new ATOM 536 N ASN A 36 -8.572 4.158 -4.258 1.00 0.00 N ATOM 537 CA ASN A 36 -9.827 3.417 -4.320 1.00 0.00 C ATOM 538 C ASN A 36 -9.593 1.936 -4.617 1.00 0.00 C ATOM 539 O ASN A 36 -10.508 1.232 -5.042 1.00 0.00 O ATOM 540 CB ASN A 36 -10.742 4.023 -5.386 1.00 0.00 C ATOM 541 CG ASN A 36 -11.618 5.129 -4.834 1.00 0.00 C ATOM 542 OD1 ASN A 36 -12.540 4.880 -4.058 1.00 0.00 O ATOM 543 ND2 ASN A 36 -11.330 6.361 -5.234 1.00 0.00 N ATOM 0 H ASN A 36 -8.079 4.230 -5.148 1.00 0.00 H new ATOM 0 HA ASN A 36 -10.305 3.492 -3.343 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -10.135 4.417 -6.201 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -11.372 3.240 -5.808 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -11.883 7.149 -4.897 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -10.556 6.520 -5.879 1.00 0.00 H new ATOM 550 N LEU A 37 -8.371 1.464 -4.381 1.00 0.00 N ATOM 551 CA LEU A 37 -8.042 0.061 -4.615 1.00 0.00 C ATOM 552 C LEU A 37 -8.419 -0.792 -3.408 1.00 0.00 C ATOM 553 O LEU A 37 -8.509 -0.293 -2.287 1.00 0.00 O ATOM 554 CB LEU A 37 -6.551 -0.101 -4.921 1.00 0.00 C ATOM 555 CG LEU A 37 -6.178 -1.399 -5.642 1.00 0.00 C ATOM 556 CD1 LEU A 37 -6.659 -1.363 -7.086 1.00 0.00 C ATOM 557 CD2 LEU A 37 -4.677 -1.632 -5.584 1.00 0.00 C ATOM 0 H LEU A 37 -7.597 2.028 -4.030 1.00 0.00 H new ATOM 0 HA LEU A 37 -8.617 -0.278 -5.477 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -6.226 0.742 -5.531 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -5.995 -0.050 -3.985 1.00 0.00 H new ATOM 0 HG LEU A 37 -6.672 -2.228 -5.135 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -6.386 -2.293 -7.584 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -7.742 -1.246 -7.106 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -6.194 -0.524 -7.604 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -4.432 -2.559 -6.102 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.161 -0.801 -6.065 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.360 -1.703 -4.544 1.00 0.00 H new ATOM 569 N THR A 38 -8.641 -2.081 -3.645 1.00 0.00 N ATOM 570 CA THR A 38 -9.019 -3.001 -2.579 1.00 0.00 C ATOM 571 C THR A 38 -8.310 -4.336 -2.725 1.00 0.00 C ATOM 572 O THR A 38 -7.602 -4.572 -3.702 1.00 0.00 O ATOM 573 CB THR A 38 -10.528 -3.242 -2.600 1.00 0.00 C ATOM 574 OG1 THR A 38 -11.172 -2.322 -3.463 1.00 0.00 O ATOM 575 CG2 THR A 38 -11.169 -3.124 -1.236 1.00 0.00 C ATOM 0 H THR A 38 -8.566 -2.512 -4.566 1.00 0.00 H new ATOM 0 HA THR A 38 -8.725 -2.545 -1.634 1.00 0.00 H new ATOM 0 HB THR A 38 -10.654 -4.265 -2.954 1.00 0.00 H new ATOM 0 HG1 THR A 38 -12.137 -2.494 -3.464 1.00 0.00 H new ATOM 0 HG21 THR A 38 -12.240 -3.306 -1.320 1.00 0.00 H new ATOM 0 HG22 THR A 38 -10.728 -3.858 -0.562 1.00 0.00 H new ATOM 0 HG23 THR A 38 -11.001 -2.122 -0.841 1.00 0.00 H new ATOM 583 N ILE A 39 -8.548 -5.225 -1.769 1.00 0.00 N ATOM 584 CA ILE A 39 -7.991 -6.563 -1.832 1.00 0.00 C ATOM 585 C ILE A 39 -8.452 -7.242 -3.109 1.00 0.00 C ATOM 586 O ILE A 39 -7.719 -8.016 -3.725 1.00 0.00 O ATOM 587 CB ILE A 39 -8.424 -7.413 -0.625 1.00 0.00 C ATOM 588 CG1 ILE A 39 -7.710 -8.767 -0.642 1.00 0.00 C ATOM 589 CG2 ILE A 39 -9.933 -7.606 -0.623 1.00 0.00 C ATOM 590 CD1 ILE A 39 -6.217 -8.665 -0.425 1.00 0.00 C ATOM 0 H ILE A 39 -9.121 -5.041 -0.945 1.00 0.00 H new ATOM 0 HA ILE A 39 -6.905 -6.476 -1.817 1.00 0.00 H new ATOM 0 HB ILE A 39 -8.144 -6.886 0.287 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -8.139 -9.404 0.131 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -7.898 -9.256 -1.598 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -10.221 -8.210 0.238 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -10.424 -6.635 -0.566 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -10.236 -8.112 -1.539 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -5.777 -9.662 -0.449 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -5.776 -8.054 -1.213 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -6.021 -8.205 0.544 1.00 0.00 H new ATOM 602 N GLU A 40 -9.676 -6.916 -3.505 1.00 0.00 N ATOM 603 CA GLU A 40 -10.264 -7.462 -4.718 1.00 0.00 C ATOM 604 C GLU A 40 -9.374 -7.181 -5.922 1.00 0.00 C ATOM 605 O GLU A 40 -9.094 -8.074 -6.723 1.00 0.00 O ATOM 606 CB GLU A 40 -11.654 -6.867 -4.946 1.00 0.00 C ATOM 607 CG GLU A 40 -12.601 -7.063 -3.773 1.00 0.00 C ATOM 608 CD GLU A 40 -13.714 -8.045 -4.080 1.00 0.00 C ATOM 609 OE1 GLU A 40 -14.395 -7.866 -5.112 1.00 0.00 O ATOM 610 OE2 GLU A 40 -13.907 -8.990 -3.288 1.00 0.00 O ATOM 0 H GLU A 40 -10.283 -6.271 -2.999 1.00 0.00 H new ATOM 0 HA GLU A 40 -10.354 -8.542 -4.598 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -11.555 -5.800 -5.147 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -12.092 -7.320 -5.835 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -12.037 -7.417 -2.910 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -13.035 -6.102 -3.497 1.00 0.00 H new ATOM 617 N ASP A 41 -8.927 -5.935 -6.040 1.00 0.00 N ATOM 618 CA ASP A 41 -8.057 -5.538 -7.139 1.00 0.00 C ATOM 619 C ASP A 41 -6.614 -5.934 -6.849 1.00 0.00 C ATOM 620 O ASP A 41 -5.844 -6.236 -7.762 1.00 0.00 O ATOM 621 CB ASP A 41 -8.147 -4.028 -7.370 1.00 0.00 C ATOM 622 CG ASP A 41 -9.210 -3.662 -8.388 1.00 0.00 C ATOM 623 OD1 ASP A 41 -9.745 -4.579 -9.045 1.00 0.00 O ATOM 624 OD2 ASP A 41 -9.507 -2.456 -8.528 1.00 0.00 O ATOM 0 H ASP A 41 -9.153 -5.184 -5.388 1.00 0.00 H new ATOM 0 HA ASP A 41 -8.387 -6.054 -8.040 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -8.366 -3.531 -6.425 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -7.180 -3.657 -7.709 1.00 0.00 H new ATOM 629 N LEU A 42 -6.258 -5.939 -5.569 1.00 0.00 N ATOM 630 CA LEU A 42 -4.915 -6.313 -5.144 1.00 0.00 C ATOM 631 C LEU A 42 -4.521 -7.651 -5.756 1.00 0.00 C ATOM 632 O LEU A 42 -3.458 -7.786 -6.362 1.00 0.00 O ATOM 633 CB LEU A 42 -4.847 -6.410 -3.611 1.00 0.00 C ATOM 634 CG LEU A 42 -4.776 -5.086 -2.816 1.00 0.00 C ATOM 635 CD1 LEU A 42 -3.477 -5.017 -2.030 1.00 0.00 C ATOM 636 CD2 LEU A 42 -4.916 -3.855 -3.707 1.00 0.00 C ATOM 0 H LEU A 42 -6.885 -5.687 -4.805 1.00 0.00 H new ATOM 0 HA LEU A 42 -4.221 -5.545 -5.485 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -5.723 -6.961 -3.269 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -3.973 -7.007 -3.350 1.00 0.00 H new ATOM 0 HG LEU A 42 -5.623 -5.081 -2.130 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -3.438 -4.080 -1.474 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -3.428 -5.855 -1.334 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -2.633 -5.067 -2.718 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -4.859 -2.955 -3.095 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -4.112 -3.845 -4.443 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -5.877 -3.885 -4.220 1.00 0.00 H new ATOM 648 N GLY A 43 -5.394 -8.640 -5.589 1.00 0.00 N ATOM 649 CA GLY A 43 -5.141 -9.958 -6.136 1.00 0.00 C ATOM 650 C GLY A 43 -5.256 -9.986 -7.648 1.00 0.00 C ATOM 651 O GLY A 43 -4.730 -10.887 -8.299 1.00 0.00 O ATOM 0 H GLY A 43 -6.275 -8.550 -5.082 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -4.143 -10.285 -5.844 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -5.847 -10.669 -5.707 1.00 0.00 H new ATOM 655 N ALA A 44 -5.949 -8.998 -8.207 1.00 0.00 N ATOM 656 CA ALA A 44 -6.108 -8.906 -9.652 1.00 0.00 C ATOM 657 C ALA A 44 -4.746 -8.833 -10.327 1.00 0.00 C ATOM 658 O ALA A 44 -4.489 -9.517 -11.317 1.00 0.00 O ATOM 659 CB ALA A 44 -6.952 -7.695 -10.019 1.00 0.00 C ATOM 0 H ALA A 44 -6.407 -8.253 -7.682 1.00 0.00 H new ATOM 0 HA ALA A 44 -6.622 -9.800 -10.004 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -7.060 -7.642 -11.102 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -7.936 -7.785 -9.560 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -6.465 -6.789 -9.658 1.00 0.00 H new ATOM 665 N LEU A 45 -3.867 -8.015 -9.758 1.00 0.00 N ATOM 666 CA LEU A 45 -2.515 -7.858 -10.266 1.00 0.00 C ATOM 667 C LEU A 45 -1.856 -9.208 -10.512 1.00 0.00 C ATOM 668 O LEU A 45 -1.002 -9.341 -11.386 1.00 0.00 O ATOM 669 CB LEU A 45 -1.691 -7.066 -9.258 1.00 0.00 C ATOM 670 CG LEU A 45 -1.903 -5.554 -9.305 1.00 0.00 C ATOM 671 CD1 LEU A 45 -3.383 -5.216 -9.206 1.00 0.00 C ATOM 672 CD2 LEU A 45 -1.126 -4.873 -8.190 1.00 0.00 C ATOM 0 H LEU A 45 -4.073 -7.447 -8.937 1.00 0.00 H new ATOM 0 HA LEU A 45 -2.563 -7.326 -11.216 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -1.930 -7.421 -8.256 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.635 -7.276 -9.428 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.531 -5.186 -10.261 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -3.512 -4.134 -9.241 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -3.917 -5.673 -10.039 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -3.782 -5.599 -8.266 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -1.288 -3.796 -8.238 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.469 -5.249 -7.226 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -0.063 -5.085 -8.305 1.00 0.00 H new ATOM 684 N LYS A 46 -2.271 -10.193 -9.724 1.00 0.00 N ATOM 685 CA LYS A 46 -1.730 -11.553 -9.781 1.00 0.00 C ATOM 686 C LYS A 46 -0.489 -11.693 -8.906 1.00 0.00 C ATOM 687 O LYS A 46 0.300 -12.624 -9.069 1.00 0.00 O ATOM 688 CB LYS A 46 -1.398 -11.993 -11.205 1.00 0.00 C ATOM 689 CG LYS A 46 -0.997 -13.448 -11.264 1.00 0.00 C ATOM 690 CD LYS A 46 -1.908 -14.251 -12.177 1.00 0.00 C ATOM 691 CE LYS A 46 -1.875 -13.728 -13.603 1.00 0.00 C ATOM 692 NZ LYS A 46 -2.381 -14.735 -14.575 1.00 0.00 N ATOM 0 H LYS A 46 -2.999 -10.073 -9.020 1.00 0.00 H new ATOM 0 HA LYS A 46 -2.517 -12.205 -9.401 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.263 -11.828 -11.847 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -0.589 -11.377 -11.596 1.00 0.00 H new ATOM 0 HG2 LYS A 46 0.031 -13.527 -11.617 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -1.023 -13.873 -10.260 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -1.604 -15.298 -12.166 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -2.929 -14.212 -11.798 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -2.478 -12.822 -13.672 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -0.854 -13.452 -13.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -2.342 -14.340 -15.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -1.791 -15.590 -14.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -3.364 -14.980 -14.341 1.00 0.00 H new ATOM 706 N ILE A 47 -0.335 -10.772 -7.970 1.00 0.00 N ATOM 707 CA ILE A 47 0.787 -10.797 -7.039 1.00 0.00 C ATOM 708 C ILE A 47 0.478 -11.720 -5.865 1.00 0.00 C ATOM 709 O ILE A 47 -0.643 -11.730 -5.359 1.00 0.00 O ATOM 710 CB ILE A 47 1.103 -9.386 -6.499 1.00 0.00 C ATOM 711 CG1 ILE A 47 0.920 -8.338 -7.597 1.00 0.00 C ATOM 712 CG2 ILE A 47 2.515 -9.326 -5.942 1.00 0.00 C ATOM 713 CD1 ILE A 47 1.267 -6.934 -7.153 1.00 0.00 C ATOM 0 H ILE A 47 -0.976 -9.991 -7.832 1.00 0.00 H new ATOM 0 HA ILE A 47 1.656 -11.166 -7.584 1.00 0.00 H new ATOM 0 HB ILE A 47 0.405 -9.168 -5.690 1.00 0.00 H new ATOM 0 HG12 ILE A 47 1.543 -8.605 -8.451 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -0.115 -8.358 -7.938 1.00 0.00 H new ATOM 0 HG21 ILE A 47 2.716 -8.322 -5.567 1.00 0.00 H new ATOM 0 HG22 ILE A 47 2.616 -10.044 -5.128 1.00 0.00 H new ATOM 0 HG23 ILE A 47 3.228 -9.568 -6.730 1.00 0.00 H new ATOM 0 HD11 ILE A 47 1.114 -6.242 -7.981 1.00 0.00 H new ATOM 0 HD12 ILE A 47 0.627 -6.648 -6.318 1.00 0.00 H new ATOM 0 HD13 ILE A 47 2.310 -6.899 -6.839 1.00 0.00 H new ATOM 725 N PRO A 48 1.465 -12.522 -5.422 1.00 0.00 N ATOM 726 CA PRO A 48 1.290 -13.454 -4.307 1.00 0.00 C ATOM 727 C PRO A 48 0.394 -12.893 -3.205 1.00 0.00 C ATOM 728 O PRO A 48 0.310 -11.679 -3.018 1.00 0.00 O ATOM 729 CB PRO A 48 2.718 -13.635 -3.806 1.00 0.00 C ATOM 730 CG PRO A 48 3.559 -13.520 -5.034 1.00 0.00 C ATOM 731 CD PRO A 48 2.833 -12.583 -5.971 1.00 0.00 C ATOM 0 HA PRO A 48 0.799 -14.379 -4.609 1.00 0.00 H new ATOM 0 HB2 PRO A 48 2.981 -12.874 -3.071 1.00 0.00 H new ATOM 0 HB3 PRO A 48 2.850 -14.603 -3.323 1.00 0.00 H new ATOM 0 HG2 PRO A 48 4.549 -13.134 -4.790 1.00 0.00 H new ATOM 0 HG3 PRO A 48 3.703 -14.496 -5.497 1.00 0.00 H new ATOM 0 HD2 PRO A 48 3.299 -11.598 -5.992 1.00 0.00 H new ATOM 0 HD3 PRO A 48 2.837 -12.959 -6.994 1.00 0.00 H new ATOM 739 N GLU A 49 -0.289 -13.784 -2.493 1.00 0.00 N ATOM 740 CA GLU A 49 -1.204 -13.376 -1.432 1.00 0.00 C ATOM 741 C GLU A 49 -0.501 -13.322 -0.079 1.00 0.00 C ATOM 742 O GLU A 49 -1.147 -13.402 0.967 1.00 0.00 O ATOM 743 CB GLU A 49 -2.392 -14.337 -1.362 1.00 0.00 C ATOM 744 CG GLU A 49 -2.042 -15.698 -0.785 1.00 0.00 C ATOM 745 CD GLU A 49 -2.647 -16.841 -1.578 1.00 0.00 C ATOM 746 OE1 GLU A 49 -3.587 -16.590 -2.360 1.00 0.00 O ATOM 747 OE2 GLU A 49 -2.180 -17.988 -1.416 1.00 0.00 O ATOM 0 H GLU A 49 -0.226 -14.793 -2.631 1.00 0.00 H new ATOM 0 HA GLU A 49 -1.561 -12.374 -1.668 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -3.178 -13.886 -0.756 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -2.800 -14.471 -2.364 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -0.958 -15.811 -0.762 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -2.390 -15.752 0.246 1.00 0.00 H new ATOM 754 N GLN A 50 0.818 -13.181 -0.101 1.00 0.00 N ATOM 755 CA GLN A 50 1.597 -13.115 1.128 1.00 0.00 C ATOM 756 C GLN A 50 1.081 -12.006 2.039 1.00 0.00 C ATOM 757 O GLN A 50 0.901 -12.209 3.240 1.00 0.00 O ATOM 758 CB GLN A 50 3.073 -12.881 0.807 1.00 0.00 C ATOM 759 CG GLN A 50 3.664 -13.926 -0.122 1.00 0.00 C ATOM 760 CD GLN A 50 5.059 -13.574 -0.589 1.00 0.00 C ATOM 761 OE1 GLN A 50 5.365 -12.411 -0.855 1.00 0.00 O ATOM 762 NE2 GLN A 50 5.914 -14.582 -0.694 1.00 0.00 N ATOM 0 H GLN A 50 1.370 -13.110 -0.956 1.00 0.00 H new ATOM 0 HA GLN A 50 1.492 -14.067 1.648 1.00 0.00 H new ATOM 0 HB2 GLN A 50 3.186 -11.897 0.352 1.00 0.00 H new ATOM 0 HB3 GLN A 50 3.642 -12.870 1.737 1.00 0.00 H new ATOM 0 HG2 GLN A 50 3.689 -14.888 0.390 1.00 0.00 H new ATOM 0 HG3 GLN A 50 3.014 -14.043 -0.989 1.00 0.00 H new ATOM 0 HE21 GLN A 50 5.616 -15.530 -0.463 1.00 0.00 H new ATOM 0 HE22 GLN A 50 6.870 -14.410 -1.006 1.00 0.00 H new ATOM 771 N TYR A 51 0.864 -10.826 1.465 1.00 0.00 N ATOM 772 CA TYR A 51 0.380 -9.682 2.231 1.00 0.00 C ATOM 773 C TYR A 51 -0.641 -8.874 1.434 1.00 0.00 C ATOM 774 O TYR A 51 -0.710 -7.651 1.559 1.00 0.00 O ATOM 775 CB TYR A 51 1.548 -8.778 2.642 1.00 0.00 C ATOM 776 CG TYR A 51 2.858 -9.510 2.836 1.00 0.00 C ATOM 777 CD1 TYR A 51 3.116 -10.216 4.007 1.00 0.00 C ATOM 778 CD2 TYR A 51 3.835 -9.499 1.849 1.00 0.00 C ATOM 779 CE1 TYR A 51 4.311 -10.887 4.185 1.00 0.00 C ATOM 780 CE2 TYR A 51 5.032 -10.167 2.021 1.00 0.00 C ATOM 781 CZ TYR A 51 5.265 -10.859 3.191 1.00 0.00 C ATOM 782 OH TYR A 51 6.456 -11.525 3.366 1.00 0.00 O ATOM 0 H TYR A 51 1.015 -10.637 0.474 1.00 0.00 H new ATOM 0 HA TYR A 51 -0.108 -10.067 3.126 1.00 0.00 H new ATOM 0 HB2 TYR A 51 1.683 -8.009 1.881 1.00 0.00 H new ATOM 0 HB3 TYR A 51 1.289 -8.267 3.569 1.00 0.00 H new ATOM 0 HD1 TYR A 51 2.371 -10.240 4.789 1.00 0.00 H new ATOM 0 HD2 TYR A 51 3.656 -8.959 0.931 1.00 0.00 H new ATOM 0 HE1 TYR A 51 4.496 -11.431 5.099 1.00 0.00 H new ATOM 0 HE2 TYR A 51 5.781 -10.147 1.243 1.00 0.00 H new ATOM 0 HH TYR A 51 7.017 -11.406 2.571 1.00 0.00 H new ATOM 792 N ARG A 52 -1.430 -9.561 0.613 1.00 0.00 N ATOM 793 CA ARG A 52 -2.442 -8.897 -0.203 1.00 0.00 C ATOM 794 C ARG A 52 -3.481 -8.203 0.672 1.00 0.00 C ATOM 795 O ARG A 52 -3.784 -7.025 0.480 1.00 0.00 O ATOM 796 CB ARG A 52 -3.130 -9.906 -1.124 1.00 0.00 C ATOM 797 CG ARG A 52 -3.265 -9.427 -2.560 1.00 0.00 C ATOM 798 CD ARG A 52 -2.956 -10.540 -3.549 1.00 0.00 C ATOM 799 NE ARG A 52 -4.105 -11.415 -3.763 1.00 0.00 N ATOM 800 CZ ARG A 52 -4.045 -12.558 -4.439 1.00 0.00 C ATOM 801 NH1 ARG A 52 -2.896 -12.961 -4.962 1.00 0.00 N ATOM 802 NH2 ARG A 52 -5.136 -13.297 -4.591 1.00 0.00 N ATOM 0 H ARG A 52 -1.389 -10.573 0.495 1.00 0.00 H new ATOM 0 HA ARG A 52 -1.941 -8.143 -0.810 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -2.566 -10.839 -1.113 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -4.121 -10.128 -0.729 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -4.277 -9.059 -2.729 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -2.589 -8.589 -2.730 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -2.649 -10.105 -4.500 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -2.115 -11.129 -3.182 1.00 0.00 H new ATOM 0 HE ARG A 52 -5.004 -11.134 -3.372 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -2.056 -12.394 -4.846 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -2.851 -13.838 -5.480 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -6.021 -12.988 -4.189 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -5.090 -14.174 -5.110 1.00 0.00 H new ATOM 816 N MET A 53 -4.033 -8.945 1.627 1.00 0.00 N ATOM 817 CA MET A 53 -5.032 -8.403 2.530 1.00 0.00 C ATOM 818 C MET A 53 -4.407 -7.329 3.423 1.00 0.00 C ATOM 819 O MET A 53 -5.065 -6.359 3.797 1.00 0.00 O ATOM 820 CB MET A 53 -5.647 -9.551 3.355 1.00 0.00 C ATOM 821 CG MET A 53 -6.142 -9.157 4.737 1.00 0.00 C ATOM 822 SD MET A 53 -7.439 -10.248 5.352 1.00 0.00 S ATOM 823 CE MET A 53 -6.469 -11.449 6.261 1.00 0.00 C ATOM 0 H MET A 53 -3.802 -9.925 1.792 1.00 0.00 H new ATOM 0 HA MET A 53 -5.831 -7.927 1.961 1.00 0.00 H new ATOM 0 HB2 MET A 53 -6.480 -9.975 2.795 1.00 0.00 H new ATOM 0 HB3 MET A 53 -4.902 -10.339 3.464 1.00 0.00 H new ATOM 0 HG2 MET A 53 -5.304 -9.167 5.434 1.00 0.00 H new ATOM 0 HG3 MET A 53 -6.518 -8.135 4.705 1.00 0.00 H new ATOM 0 HE1 MET A 53 -7.132 -12.193 6.702 1.00 0.00 H new ATOM 0 HE2 MET A 53 -5.771 -11.941 5.583 1.00 0.00 H new ATOM 0 HE3 MET A 53 -5.913 -10.945 7.051 1.00 0.00 H new ATOM 833 N THR A 54 -3.131 -7.506 3.743 1.00 0.00 N ATOM 834 CA THR A 54 -2.412 -6.548 4.573 1.00 0.00 C ATOM 835 C THR A 54 -2.403 -5.171 3.920 1.00 0.00 C ATOM 836 O THR A 54 -2.748 -4.169 4.549 1.00 0.00 O ATOM 837 CB THR A 54 -0.979 -7.028 4.810 1.00 0.00 C ATOM 838 OG1 THR A 54 -0.972 -8.237 5.550 1.00 0.00 O ATOM 839 CG2 THR A 54 -0.126 -6.026 5.557 1.00 0.00 C ATOM 0 H THR A 54 -2.573 -8.304 3.440 1.00 0.00 H new ATOM 0 HA THR A 54 -2.923 -6.471 5.533 1.00 0.00 H new ATOM 0 HB THR A 54 -0.554 -7.170 3.816 1.00 0.00 H new ATOM 0 HG1 THR A 54 -0.047 -8.529 5.690 1.00 0.00 H new ATOM 0 HG21 THR A 54 0.877 -6.430 5.691 1.00 0.00 H new ATOM 0 HG22 THR A 54 -0.070 -5.099 4.987 1.00 0.00 H new ATOM 0 HG23 THR A 54 -0.570 -5.826 6.532 1.00 0.00 H new ATOM 847 N ILE A 55 -2.017 -5.130 2.649 1.00 0.00 N ATOM 848 CA ILE A 55 -1.975 -3.878 1.906 1.00 0.00 C ATOM 849 C ILE A 55 -3.368 -3.271 1.789 1.00 0.00 C ATOM 850 O ILE A 55 -3.542 -2.062 1.937 1.00 0.00 O ATOM 851 CB ILE A 55 -1.387 -4.075 0.496 1.00 0.00 C ATOM 852 CG1 ILE A 55 0.012 -4.689 0.585 1.00 0.00 C ATOM 853 CG2 ILE A 55 -1.342 -2.750 -0.249 1.00 0.00 C ATOM 854 CD1 ILE A 55 0.473 -5.340 -0.700 1.00 0.00 C ATOM 0 H ILE A 55 -1.729 -5.949 2.113 1.00 0.00 H new ATOM 0 HA ILE A 55 -1.328 -3.199 2.462 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.030 -4.759 -0.057 1.00 0.00 H new ATOM 0 HG12 ILE A 55 0.723 -3.912 0.864 1.00 0.00 H new ATOM 0 HG13 ILE A 55 0.023 -5.432 1.383 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -0.924 -2.906 -1.244 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -2.351 -2.348 -0.338 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -0.718 -2.045 0.300 1.00 0.00 H new ATOM 0 HD11 ILE A 55 1.472 -5.753 -0.561 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -0.216 -6.140 -0.970 1.00 0.00 H new ATOM 0 HD13 ILE A 55 0.495 -4.597 -1.497 1.00 0.00 H new ATOM 866 N TRP A 56 -4.361 -4.118 1.533 1.00 0.00 N ATOM 867 CA TRP A 56 -5.738 -3.661 1.428 1.00 0.00 C ATOM 868 C TRP A 56 -6.154 -2.949 2.713 1.00 0.00 C ATOM 869 O TRP A 56 -6.649 -1.822 2.679 1.00 0.00 O ATOM 870 CB TRP A 56 -6.660 -4.851 1.138 1.00 0.00 C ATOM 871 CG TRP A 56 -8.113 -4.576 1.378 1.00 0.00 C ATOM 872 CD1 TRP A 56 -8.806 -3.449 1.043 1.00 0.00 C ATOM 873 CD2 TRP A 56 -9.046 -5.446 2.020 1.00 0.00 C ATOM 874 NE1 TRP A 56 -10.118 -3.573 1.434 1.00 0.00 N ATOM 875 CE2 TRP A 56 -10.288 -4.789 2.034 1.00 0.00 C ATOM 876 CE3 TRP A 56 -8.950 -6.722 2.578 1.00 0.00 C ATOM 877 CZ2 TRP A 56 -11.426 -5.359 2.586 1.00 0.00 C ATOM 878 CZ3 TRP A 56 -10.084 -7.292 3.128 1.00 0.00 C ATOM 879 CH2 TRP A 56 -11.308 -6.611 3.129 1.00 0.00 C ATOM 0 H TRP A 56 -4.236 -5.121 1.395 1.00 0.00 H new ATOM 0 HA TRP A 56 -5.821 -2.952 0.604 1.00 0.00 H new ATOM 0 HB2 TRP A 56 -6.526 -5.155 0.100 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -6.354 -5.693 1.759 1.00 0.00 H new ATOM 0 HD1 TRP A 56 -8.386 -2.588 0.545 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -10.846 -2.872 1.298 1.00 0.00 H new ATOM 0 HE3 TRP A 56 -8.010 -7.253 2.580 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -12.370 -4.835 2.588 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -10.025 -8.278 3.564 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -12.176 -7.082 3.566 1.00 0.00 H new ATOM 890 N ARG A 57 -5.935 -3.611 3.846 1.00 0.00 N ATOM 891 CA ARG A 57 -6.267 -3.032 5.145 1.00 0.00 C ATOM 892 C ARG A 57 -5.676 -1.635 5.271 1.00 0.00 C ATOM 893 O ARG A 57 -6.359 -0.691 5.669 1.00 0.00 O ATOM 894 CB ARG A 57 -5.751 -3.925 6.276 1.00 0.00 C ATOM 895 CG ARG A 57 -6.109 -5.393 6.109 1.00 0.00 C ATOM 896 CD ARG A 57 -7.020 -5.875 7.228 1.00 0.00 C ATOM 897 NE ARG A 57 -6.285 -6.604 8.257 1.00 0.00 N ATOM 898 CZ ARG A 57 -6.782 -6.885 9.458 1.00 0.00 C ATOM 899 NH1 ARG A 57 -8.010 -6.498 9.775 1.00 0.00 N ATOM 900 NH2 ARG A 57 -6.052 -7.552 10.341 1.00 0.00 N ATOM 0 H ARG A 57 -5.530 -4.546 3.891 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.352 -2.961 5.222 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -4.667 -3.829 6.336 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -6.156 -3.567 7.223 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -6.601 -5.542 5.148 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -5.198 -5.992 6.096 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -7.523 -5.020 7.679 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -7.796 -6.518 6.812 1.00 0.00 H new ATOM 0 HE ARG A 57 -5.338 -6.915 8.043 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -8.574 -5.985 9.098 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -8.391 -6.714 10.696 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -5.107 -7.851 10.100 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -6.435 -7.766 11.262 1.00 0.00 H new ATOM 914 N GLY A 58 -4.406 -1.508 4.906 1.00 0.00 N ATOM 915 CA GLY A 58 -3.750 -0.216 4.947 1.00 0.00 C ATOM 916 C GLY A 58 -4.352 0.746 3.946 1.00 0.00 C ATOM 917 O GLY A 58 -4.507 1.934 4.227 1.00 0.00 O ATOM 0 H GLY A 58 -3.819 -2.277 4.582 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -3.832 0.203 5.950 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -2.687 -0.340 4.740 1.00 0.00 H new ATOM 921 N LEU A 59 -4.711 0.223 2.777 1.00 0.00 N ATOM 922 CA LEU A 59 -5.334 1.029 1.737 1.00 0.00 C ATOM 923 C LEU A 59 -6.658 1.596 2.233 1.00 0.00 C ATOM 924 O LEU A 59 -7.024 2.727 1.912 1.00 0.00 O ATOM 925 CB LEU A 59 -5.559 0.188 0.477 1.00 0.00 C ATOM 926 CG LEU A 59 -4.870 0.707 -0.788 1.00 0.00 C ATOM 927 CD1 LEU A 59 -3.448 1.156 -0.484 1.00 0.00 C ATOM 928 CD2 LEU A 59 -4.869 -0.367 -1.865 1.00 0.00 C ATOM 0 H LEU A 59 -4.580 -0.757 2.528 1.00 0.00 H new ATOM 0 HA LEU A 59 -4.668 1.856 1.491 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.211 -0.827 0.670 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.631 0.126 0.288 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.428 1.569 -1.153 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -2.978 1.521 -1.398 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.469 1.955 0.257 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -2.876 0.314 -0.093 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -4.376 0.015 -2.759 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -4.334 -1.245 -1.503 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -5.896 -0.642 -2.106 1.00 0.00 H new ATOM 940 N GLN A 60 -7.371 0.801 3.026 1.00 0.00 N ATOM 941 CA GLN A 60 -8.643 1.229 3.593 1.00 0.00 C ATOM 942 C GLN A 60 -8.422 2.367 4.582 1.00 0.00 C ATOM 943 O GLN A 60 -9.291 3.216 4.774 1.00 0.00 O ATOM 944 CB GLN A 60 -9.337 0.056 4.290 1.00 0.00 C ATOM 945 CG GLN A 60 -9.719 -1.073 3.346 1.00 0.00 C ATOM 946 CD GLN A 60 -10.517 -2.165 4.033 1.00 0.00 C ATOM 947 OE1 GLN A 60 -11.711 -2.009 4.290 1.00 0.00 O ATOM 948 NE2 GLN A 60 -9.859 -3.279 4.333 1.00 0.00 N ATOM 0 H GLN A 60 -7.088 -0.143 3.290 1.00 0.00 H new ATOM 0 HA GLN A 60 -9.282 1.583 2.784 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -8.678 -0.337 5.065 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -10.235 0.420 4.789 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -10.302 -0.668 2.519 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -8.815 -1.504 2.917 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -8.869 -3.365 4.101 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -10.343 -4.049 4.795 1.00 0.00 H new ATOM 957 N ASP A 61 -7.244 2.378 5.196 1.00 0.00 N ATOM 958 CA ASP A 61 -6.888 3.416 6.153 1.00 0.00 C ATOM 959 C ASP A 61 -6.820 4.776 5.468 1.00 0.00 C ATOM 960 O ASP A 61 -7.120 5.806 6.072 1.00 0.00 O ATOM 961 CB ASP A 61 -5.541 3.092 6.804 1.00 0.00 C ATOM 962 CG ASP A 61 -5.476 3.536 8.251 1.00 0.00 C ATOM 963 OD1 ASP A 61 -6.243 4.446 8.629 1.00 0.00 O ATOM 964 OD2 ASP A 61 -4.656 2.975 9.008 1.00 0.00 O ATOM 0 H ASP A 61 -6.518 1.677 5.047 1.00 0.00 H new ATOM 0 HA ASP A 61 -7.658 3.453 6.924 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -5.363 2.018 6.748 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -4.743 3.577 6.242 1.00 0.00 H new ATOM 969 N LEU A 62 -6.423 4.769 4.199 1.00 0.00 N ATOM 970 CA LEU A 62 -6.318 5.995 3.421 1.00 0.00 C ATOM 971 C LEU A 62 -7.698 6.577 3.137 1.00 0.00 C ATOM 972 O LEU A 62 -7.924 7.776 3.299 1.00 0.00 O ATOM 973 CB LEU A 62 -5.584 5.722 2.105 1.00 0.00 C ATOM 974 CG LEU A 62 -4.260 4.971 2.250 1.00 0.00 C ATOM 975 CD1 LEU A 62 -3.926 4.224 0.969 1.00 0.00 C ATOM 976 CD2 LEU A 62 -3.142 5.935 2.618 1.00 0.00 C ATOM 0 H LEU A 62 -6.168 3.924 3.688 1.00 0.00 H new ATOM 0 HA LEU A 62 -5.751 6.722 4.003 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -6.241 5.148 1.452 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -5.393 6.673 1.608 1.00 0.00 H new ATOM 0 HG LEU A 62 -4.362 4.240 3.052 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.980 3.696 1.092 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -4.717 3.506 0.750 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -3.841 4.933 0.146 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.206 5.386 2.718 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.039 6.688 1.837 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -3.379 6.423 3.564 1.00 0.00 H new ATOM 988 N LYS A 63 -8.618 5.717 2.716 1.00 0.00 N ATOM 989 CA LYS A 63 -9.979 6.139 2.409 1.00 0.00 C ATOM 990 C LYS A 63 -10.669 6.699 3.648 1.00 0.00 C ATOM 991 O LYS A 63 -11.198 7.810 3.628 1.00 0.00 O ATOM 992 CB LYS A 63 -10.784 4.965 1.848 1.00 0.00 C ATOM 993 CG LYS A 63 -11.521 5.291 0.560 1.00 0.00 C ATOM 994 CD LYS A 63 -12.342 6.565 0.692 1.00 0.00 C ATOM 995 CE LYS A 63 -11.845 7.648 -0.251 1.00 0.00 C ATOM 996 NZ LYS A 63 -12.530 7.593 -1.572 1.00 0.00 N ATOM 0 H LYS A 63 -8.445 4.721 2.579 1.00 0.00 H new ATOM 0 HA LYS A 63 -9.928 6.928 1.658 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -10.111 4.127 1.669 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -11.506 4.640 2.597 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -10.803 5.403 -0.252 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -12.176 4.461 0.295 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -13.389 6.348 0.479 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -12.294 6.925 1.720 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -12.008 8.626 0.202 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -10.770 7.539 -0.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -12.162 8.348 -2.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -12.354 6.669 -2.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -13.553 7.723 -1.438 1.00 0.00 H new ATOM 1010 N GLN A 64 -10.663 5.920 4.725 1.00 0.00 N ATOM 1011 CA GLN A 64 -11.293 6.336 5.973 1.00 0.00 C ATOM 1012 C GLN A 64 -10.581 7.546 6.569 1.00 0.00 C ATOM 1013 O GLN A 64 -11.221 8.471 7.068 1.00 0.00 O ATOM 1014 CB GLN A 64 -11.289 5.182 6.979 1.00 0.00 C ATOM 1015 CG GLN A 64 -9.912 4.873 7.544 1.00 0.00 C ATOM 1016 CD GLN A 64 -9.874 3.561 8.303 1.00 0.00 C ATOM 1017 OE1 GLN A 64 -10.655 2.651 8.031 1.00 0.00 O ATOM 1018 NE2 GLN A 64 -8.961 3.459 9.262 1.00 0.00 N ATOM 0 H GLN A 64 -10.229 4.998 4.759 1.00 0.00 H new ATOM 0 HA GLN A 64 -12.323 6.617 5.753 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -11.964 5.424 7.800 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -11.683 4.288 6.496 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -9.189 4.838 6.729 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -9.606 5.682 8.208 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -8.333 4.240 9.454 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -8.888 2.600 9.807 1.00 0.00 H new ATOM 1027 N GLY A 65 -9.253 7.529 6.519 1.00 0.00 N ATOM 1028 CA GLY A 65 -8.477 8.627 7.064 1.00 0.00 C ATOM 1029 C GLY A 65 -7.403 9.110 6.110 1.00 0.00 C ATOM 1030 O GLY A 65 -6.803 8.316 5.386 1.00 0.00 O ATOM 0 H GLY A 65 -8.701 6.775 6.111 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -9.144 9.455 7.304 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -8.013 8.311 7.998 1.00 0.00 H new ATOM 1034 N HIS A 66 -7.157 10.418 6.111 1.00 0.00 N ATOM 1035 CA HIS A 66 -6.146 11.007 5.240 1.00 0.00 C ATOM 1036 C HIS A 66 -5.167 11.858 6.041 1.00 0.00 C ATOM 1037 O HIS A 66 -5.386 12.130 7.221 1.00 0.00 O ATOM 1038 CB HIS A 66 -6.808 11.860 4.157 1.00 0.00 C ATOM 1039 CG HIS A 66 -8.070 11.268 3.614 1.00 0.00 C ATOM 1040 ND1 HIS A 66 -8.189 10.802 2.321 1.00 0.00 N ATOM 1041 CD2 HIS A 66 -9.277 11.068 4.196 1.00 0.00 C ATOM 1042 CE1 HIS A 66 -9.412 10.340 2.132 1.00 0.00 C ATOM 1043 NE2 HIS A 66 -10.091 10.490 3.253 1.00 0.00 N ATOM 0 H HIS A 66 -7.644 11.089 6.705 1.00 0.00 H new ATOM 0 HA HIS A 66 -5.594 10.195 4.767 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -7.026 12.846 4.567 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -6.103 12.004 3.338 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -9.548 11.317 5.211 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -9.791 9.912 1.216 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -11.064 10.220 3.396 1.00 0.00 H new ATOM 1052 N ASP A 67 -4.087 12.282 5.390 1.00 0.00 N ATOM 1053 CA ASP A 67 -3.078 13.106 6.044 1.00 0.00 C ATOM 1054 C ASP A 67 -1.961 13.479 5.075 1.00 0.00 C ATOM 1055 O ASP A 67 -1.389 12.616 4.409 1.00 0.00 O ATOM 1056 CB ASP A 67 -2.495 12.369 7.252 1.00 0.00 C ATOM 1057 CG ASP A 67 -2.292 10.890 6.987 1.00 0.00 C ATOM 1058 OD1 ASP A 67 -2.136 10.515 5.806 1.00 0.00 O ATOM 1059 OD2 ASP A 67 -2.290 10.108 7.961 1.00 0.00 O ATOM 0 H ASP A 67 -3.889 12.068 4.412 1.00 0.00 H new ATOM 0 HA ASP A 67 -3.560 14.024 6.381 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -1.541 12.821 7.523 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -3.161 12.494 8.106 1.00 0.00 H new ATOM 1064 N TYR A 68 -1.656 14.770 5.003 1.00 0.00 N ATOM 1065 CA TYR A 68 -0.607 15.261 4.119 1.00 0.00 C ATOM 1066 C TYR A 68 -0.868 14.841 2.677 1.00 0.00 C ATOM 1067 O TYR A 68 -0.485 13.710 2.312 1.00 0.00 O ATOM 1068 CB TYR A 68 0.757 14.740 4.576 1.00 0.00 C ATOM 1069 CG TYR A 68 1.506 15.703 5.468 1.00 0.00 C ATOM 1070 CD1 TYR A 68 2.067 16.865 4.954 1.00 0.00 C ATOM 1071 CD2 TYR A 68 1.650 15.451 6.828 1.00 0.00 C ATOM 1072 CE1 TYR A 68 2.752 17.747 5.767 1.00 0.00 C ATOM 1073 CE2 TYR A 68 2.333 16.330 7.647 1.00 0.00 C ATOM 1074 CZ TYR A 68 2.882 17.477 7.112 1.00 0.00 C ATOM 1075 OH TYR A 68 3.563 18.354 7.924 1.00 0.00 O ATOM 1076 OXT TYR A 68 -1.454 15.647 1.924 1.00 0.00 O ATOM 0 H TYR A 68 -2.122 15.496 5.548 1.00 0.00 H new ATOM 0 HA TYR A 68 -0.607 16.350 4.165 1.00 0.00 H new ATOM 0 HB2 TYR A 68 0.617 13.799 5.108 1.00 0.00 H new ATOM 0 HB3 TYR A 68 1.366 14.522 3.698 1.00 0.00 H new ATOM 0 HD1 TYR A 68 1.966 17.083 3.901 1.00 0.00 H new ATOM 0 HD2 TYR A 68 1.221 14.554 7.251 1.00 0.00 H new ATOM 0 HE1 TYR A 68 3.184 18.645 5.350 1.00 0.00 H new ATOM 0 HE2 TYR A 68 2.437 16.120 8.701 1.00 0.00 H new ATOM 0 HH TYR A 68 3.562 18.016 8.844 1.00 0.00 H new TER 1086 TYR A 68