USER MOD reduce.3.24.130724 H: found=0, std=0, add=490, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 488 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 46 THR OG1 : rot -95:sc= -0.324 USER MOD Set 1.2: A 51 THR OG1 : rot -93:sc= 1.11 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc=0.000317 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.0534 USER MOD Single : A 20 THR OG1 : rot -103:sc= 0.973 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 MET CE :methyl -166:sc= -1.78 (180deg=-2.26) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc=-0.000484 X(o=-0.00048,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 95:sc= 1.17 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot -137:sc= 1.28 USER MOD Single : A 57 ASN : amide:sc= -0.0322 X(o=-0.032,f=-0.43) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= -1.14 K(o=-1.1,f=-3.6!) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -22.130 -2.105 -15.166 1.00 0.00 N ATOM 2 CA GLY A 1 -21.364 -1.013 -14.596 1.00 0.00 C ATOM 3 C GLY A 1 -20.274 -1.496 -13.660 1.00 0.00 C ATOM 4 O GLY A 1 -19.424 -2.298 -14.047 1.00 0.00 O ATOM 0 H1 GLY A 1 -22.862 -1.723 -15.798 1.00 0.00 H new ATOM 0 H2 GLY A 1 -21.497 -2.728 -15.707 1.00 0.00 H new ATOM 0 H3 GLY A 1 -22.581 -2.648 -14.402 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -20.916 -0.429 -15.400 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -22.035 -0.347 -14.054 1.00 0.00 H new ATOM 8 N SER A 2 -20.296 -1.006 -12.425 1.00 0.00 N ATOM 9 CA SER A 2 -19.298 -1.388 -11.432 1.00 0.00 C ATOM 10 C SER A 2 -19.743 -0.982 -10.030 1.00 0.00 C ATOM 11 O SER A 2 -19.737 0.199 -9.683 1.00 0.00 O ATOM 12 CB SER A 2 -17.950 -0.744 -11.759 1.00 0.00 C ATOM 13 OG SER A 2 -17.028 -0.923 -10.697 1.00 0.00 O ATOM 0 H SER A 2 -20.994 -0.343 -12.088 1.00 0.00 H new ATOM 0 HA SER A 2 -19.190 -2.472 -11.460 1.00 0.00 H new ATOM 0 HB2 SER A 2 -17.547 -1.181 -12.672 1.00 0.00 H new ATOM 0 HB3 SER A 2 -18.088 0.320 -11.949 1.00 0.00 H new ATOM 0 HG SER A 2 -16.174 -0.504 -10.931 1.00 0.00 H new ATOM 19 N SER A 3 -20.129 -1.969 -9.229 1.00 0.00 N ATOM 20 CA SER A 3 -20.580 -1.716 -7.866 1.00 0.00 C ATOM 21 C SER A 3 -19.761 -2.523 -6.863 1.00 0.00 C ATOM 22 O SER A 3 -19.245 -3.592 -7.184 1.00 0.00 O ATOM 23 CB SER A 3 -22.064 -2.061 -7.725 1.00 0.00 C ATOM 24 OG SER A 3 -22.880 -1.033 -8.261 1.00 0.00 O ATOM 0 H SER A 3 -20.139 -2.952 -9.500 1.00 0.00 H new ATOM 0 HA SER A 3 -20.439 -0.656 -7.654 1.00 0.00 H new ATOM 0 HB2 SER A 3 -22.273 -3.000 -8.238 1.00 0.00 H new ATOM 0 HB3 SER A 3 -22.307 -2.212 -6.673 1.00 0.00 H new ATOM 0 HG SER A 3 -23.823 -1.278 -8.160 1.00 0.00 H new ATOM 30 N GLY A 4 -19.647 -2.002 -5.645 1.00 0.00 N ATOM 31 CA GLY A 4 -18.891 -2.686 -4.613 1.00 0.00 C ATOM 32 C GLY A 4 -17.423 -2.306 -4.623 1.00 0.00 C ATOM 33 O GLY A 4 -16.642 -2.841 -5.410 1.00 0.00 O ATOM 0 H GLY A 4 -20.065 -1.118 -5.355 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -19.318 -2.451 -3.638 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -18.986 -3.763 -4.751 1.00 0.00 H new ATOM 37 N SER A 5 -17.047 -1.380 -3.747 1.00 0.00 N ATOM 38 CA SER A 5 -15.664 -0.925 -3.662 1.00 0.00 C ATOM 39 C SER A 5 -14.881 -1.755 -2.649 1.00 0.00 C ATOM 40 O SER A 5 -15.016 -1.568 -1.440 1.00 0.00 O ATOM 41 CB SER A 5 -15.615 0.554 -3.273 1.00 0.00 C ATOM 42 OG SER A 5 -14.466 1.185 -3.813 1.00 0.00 O ATOM 0 H SER A 5 -17.680 -0.930 -3.086 1.00 0.00 H new ATOM 0 HA SER A 5 -15.204 -1.051 -4.642 1.00 0.00 H new ATOM 0 HB2 SER A 5 -16.513 1.058 -3.631 1.00 0.00 H new ATOM 0 HB3 SER A 5 -15.609 0.648 -2.187 1.00 0.00 H new ATOM 0 HG SER A 5 -14.458 2.130 -3.552 1.00 0.00 H new ATOM 48 N SER A 6 -14.062 -2.673 -3.152 1.00 0.00 N ATOM 49 CA SER A 6 -13.260 -3.535 -2.293 1.00 0.00 C ATOM 50 C SER A 6 -11.882 -2.927 -2.049 1.00 0.00 C ATOM 51 O SER A 6 -11.458 -2.015 -2.757 1.00 0.00 O ATOM 52 CB SER A 6 -13.114 -4.923 -2.920 1.00 0.00 C ATOM 53 OG SER A 6 -12.659 -4.832 -4.259 1.00 0.00 O ATOM 0 H SER A 6 -13.937 -2.839 -4.151 1.00 0.00 H new ATOM 0 HA SER A 6 -13.772 -3.629 -1.335 1.00 0.00 H new ATOM 0 HB2 SER A 6 -12.414 -5.518 -2.334 1.00 0.00 H new ATOM 0 HB3 SER A 6 -14.073 -5.441 -2.893 1.00 0.00 H new ATOM 0 HG SER A 6 -12.572 -5.732 -4.637 1.00 0.00 H new ATOM 59 N GLY A 7 -11.185 -3.442 -1.039 1.00 0.00 N ATOM 60 CA GLY A 7 -9.863 -2.938 -0.718 1.00 0.00 C ATOM 61 C GLY A 7 -9.866 -2.035 0.499 1.00 0.00 C ATOM 62 O GLY A 7 -10.755 -1.198 0.659 1.00 0.00 O ATOM 0 H GLY A 7 -11.513 -4.199 -0.439 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -9.191 -3.778 -0.542 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -9.470 -2.388 -1.573 1.00 0.00 H new ATOM 66 N LYS A 8 -8.870 -2.204 1.362 1.00 0.00 N ATOM 67 CA LYS A 8 -8.760 -1.397 2.572 1.00 0.00 C ATOM 68 C LYS A 8 -7.989 -0.110 2.299 1.00 0.00 C ATOM 69 O LYS A 8 -7.205 -0.032 1.353 1.00 0.00 O ATOM 70 CB LYS A 8 -8.067 -2.195 3.679 1.00 0.00 C ATOM 71 CG LYS A 8 -9.018 -3.050 4.499 1.00 0.00 C ATOM 72 CD LYS A 8 -9.818 -2.210 5.480 1.00 0.00 C ATOM 73 CE LYS A 8 -10.602 -3.082 6.450 1.00 0.00 C ATOM 74 NZ LYS A 8 -11.613 -2.296 7.209 1.00 0.00 N ATOM 0 H LYS A 8 -8.127 -2.893 1.246 1.00 0.00 H new ATOM 0 HA LYS A 8 -9.767 -1.134 2.897 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -7.308 -2.837 3.232 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -7.548 -1.504 4.343 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -9.699 -3.580 3.833 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -8.452 -3.806 5.043 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -9.144 -1.559 6.037 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -10.505 -1.565 4.932 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -11.101 -3.880 5.900 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -9.914 -3.558 7.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -12.126 -2.926 7.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -11.135 -1.550 7.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -12.285 -1.862 6.545 1.00 0.00 H new ATOM 88 N VAL A 9 -8.215 0.899 3.135 1.00 0.00 N ATOM 89 CA VAL A 9 -7.540 2.182 2.986 1.00 0.00 C ATOM 90 C VAL A 9 -6.617 2.458 4.168 1.00 0.00 C ATOM 91 O VAL A 9 -7.073 2.811 5.256 1.00 0.00 O ATOM 92 CB VAL A 9 -8.551 3.337 2.858 1.00 0.00 C ATOM 93 CG1 VAL A 9 -7.830 4.674 2.791 1.00 0.00 C ATOM 94 CG2 VAL A 9 -9.436 3.137 1.637 1.00 0.00 C ATOM 0 H VAL A 9 -8.861 0.852 3.923 1.00 0.00 H new ATOM 0 HA VAL A 9 -6.948 2.124 2.072 1.00 0.00 H new ATOM 0 HB VAL A 9 -9.187 3.339 3.743 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -8.561 5.477 2.701 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -7.244 4.817 3.699 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -7.168 4.687 1.925 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -10.144 3.962 1.562 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -8.817 3.107 0.740 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -9.981 2.198 1.733 1.00 0.00 H new ATOM 104 N PHE A 10 -5.317 2.296 3.946 1.00 0.00 N ATOM 105 CA PHE A 10 -4.329 2.527 4.993 1.00 0.00 C ATOM 106 C PHE A 10 -3.608 3.854 4.777 1.00 0.00 C ATOM 107 O PHE A 10 -3.293 4.225 3.646 1.00 0.00 O ATOM 108 CB PHE A 10 -3.314 1.382 5.028 1.00 0.00 C ATOM 109 CG PHE A 10 -3.841 0.133 5.673 1.00 0.00 C ATOM 110 CD1 PHE A 10 -4.758 -0.670 5.012 1.00 0.00 C ATOM 111 CD2 PHE A 10 -3.421 -0.240 6.939 1.00 0.00 C ATOM 112 CE1 PHE A 10 -5.245 -1.820 5.604 1.00 0.00 C ATOM 113 CE2 PHE A 10 -3.905 -1.389 7.536 1.00 0.00 C ATOM 114 CZ PHE A 10 -4.817 -2.181 6.867 1.00 0.00 C ATOM 0 H PHE A 10 -4.923 2.006 3.051 1.00 0.00 H new ATOM 0 HA PHE A 10 -4.852 2.569 5.948 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -3.003 1.152 4.009 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -2.425 1.712 5.566 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -5.095 -0.394 4.024 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -2.706 0.375 7.466 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -5.960 -2.436 5.079 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -3.570 -1.667 8.524 1.00 0.00 H new ATOM 0 HZ PHE A 10 -5.195 -3.081 7.330 1.00 0.00 H new ATOM 124 N ARG A 11 -3.350 4.566 5.870 1.00 0.00 N ATOM 125 CA ARG A 11 -2.669 5.853 5.800 1.00 0.00 C ATOM 126 C ARG A 11 -1.224 5.729 6.276 1.00 0.00 C ATOM 127 O ARG A 11 -0.928 4.972 7.200 1.00 0.00 O ATOM 128 CB ARG A 11 -3.408 6.892 6.645 1.00 0.00 C ATOM 129 CG ARG A 11 -2.811 8.287 6.555 1.00 0.00 C ATOM 130 CD ARG A 11 -3.740 9.330 7.155 1.00 0.00 C ATOM 131 NE ARG A 11 -3.820 9.219 8.609 1.00 0.00 N ATOM 132 CZ ARG A 11 -4.608 9.979 9.362 1.00 0.00 C ATOM 133 NH1 ARG A 11 -5.379 10.900 8.801 1.00 0.00 N ATOM 134 NH2 ARG A 11 -4.626 9.818 10.679 1.00 0.00 N ATOM 0 H ARG A 11 -3.602 4.273 6.814 1.00 0.00 H new ATOM 0 HA ARG A 11 -2.665 6.178 4.760 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -4.450 6.931 6.328 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -3.403 6.571 7.687 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -1.854 8.308 7.076 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -2.612 8.532 5.512 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -3.389 10.326 6.886 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -4.736 9.217 6.727 1.00 0.00 H new ATOM 0 HE ARG A 11 -3.239 8.520 9.072 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -5.368 11.027 7.789 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -5.983 11.482 9.381 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -4.034 9.110 11.114 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -5.231 10.402 11.256 1.00 0.00 H new ATOM 148 N ALA A 12 -0.330 6.477 5.638 1.00 0.00 N ATOM 149 CA ALA A 12 1.082 6.453 5.997 1.00 0.00 C ATOM 150 C ALA A 12 1.366 7.382 7.173 1.00 0.00 C ATOM 151 O ALA A 12 1.404 8.603 7.017 1.00 0.00 O ATOM 152 CB ALA A 12 1.938 6.837 4.800 1.00 0.00 C ATOM 0 H ALA A 12 -0.559 7.107 4.869 1.00 0.00 H new ATOM 0 HA ALA A 12 1.336 5.438 6.301 1.00 0.00 H new ATOM 0 HB1 ALA A 12 2.990 6.815 5.083 1.00 0.00 H new ATOM 0 HB2 ALA A 12 1.766 6.131 3.988 1.00 0.00 H new ATOM 0 HB3 ALA A 12 1.672 7.841 4.470 1.00 0.00 H new ATOM 158 N LEU A 13 1.564 6.797 8.349 1.00 0.00 N ATOM 159 CA LEU A 13 1.844 7.573 9.552 1.00 0.00 C ATOM 160 C LEU A 13 3.084 8.441 9.363 1.00 0.00 C ATOM 161 O LEU A 13 3.207 9.506 9.970 1.00 0.00 O ATOM 162 CB LEU A 13 2.037 6.642 10.750 1.00 0.00 C ATOM 163 CG LEU A 13 0.857 5.731 11.089 1.00 0.00 C ATOM 164 CD1 LEU A 13 1.290 4.629 12.043 1.00 0.00 C ATOM 165 CD2 LEU A 13 -0.285 6.539 11.688 1.00 0.00 C ATOM 0 H LEU A 13 1.536 5.788 8.495 1.00 0.00 H new ATOM 0 HA LEU A 13 0.991 8.225 9.741 1.00 0.00 H new ATOM 0 HB2 LEU A 13 2.910 6.017 10.562 1.00 0.00 H new ATOM 0 HB3 LEU A 13 2.263 7.251 11.625 1.00 0.00 H new ATOM 0 HG LEU A 13 0.504 5.268 10.168 1.00 0.00 H new ATOM 0 HD11 LEU A 13 0.437 3.991 12.273 1.00 0.00 H new ATOM 0 HD12 LEU A 13 2.075 4.032 11.578 1.00 0.00 H new ATOM 0 HD13 LEU A 13 1.669 5.073 12.963 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.116 5.875 11.923 1.00 0.00 H new ATOM 0 HD22 LEU A 13 0.056 7.030 12.599 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -0.613 7.291 10.971 1.00 0.00 H new ATOM 177 N TYR A 14 3.999 7.981 8.518 1.00 0.00 N ATOM 178 CA TYR A 14 5.230 8.716 8.249 1.00 0.00 C ATOM 179 C TYR A 14 5.853 8.271 6.929 1.00 0.00 C ATOM 180 O TYR A 14 5.480 7.240 6.368 1.00 0.00 O ATOM 181 CB TYR A 14 6.228 8.514 9.390 1.00 0.00 C ATOM 182 CG TYR A 14 5.574 8.289 10.735 1.00 0.00 C ATOM 183 CD1 TYR A 14 5.100 7.034 11.097 1.00 0.00 C ATOM 184 CD2 TYR A 14 5.429 9.331 11.642 1.00 0.00 C ATOM 185 CE1 TYR A 14 4.501 6.823 12.324 1.00 0.00 C ATOM 186 CE2 TYR A 14 4.833 9.129 12.872 1.00 0.00 C ATOM 187 CZ TYR A 14 4.370 7.874 13.208 1.00 0.00 C ATOM 188 OH TYR A 14 3.774 7.669 14.431 1.00 0.00 O ATOM 0 H TYR A 14 3.912 7.102 8.007 1.00 0.00 H new ATOM 0 HA TYR A 14 4.982 9.775 8.174 1.00 0.00 H new ATOM 0 HB2 TYR A 14 6.864 7.660 9.158 1.00 0.00 H new ATOM 0 HB3 TYR A 14 6.877 9.388 9.453 1.00 0.00 H new ATOM 0 HD1 TYR A 14 5.202 6.209 10.407 1.00 0.00 H new ATOM 0 HD2 TYR A 14 5.788 10.316 11.381 1.00 0.00 H new ATOM 0 HE1 TYR A 14 4.138 5.841 12.589 1.00 0.00 H new ATOM 0 HE2 TYR A 14 4.730 9.949 13.567 1.00 0.00 H new ATOM 0 HH TYR A 14 3.761 8.510 14.934 1.00 0.00 H new ATOM 198 N THR A 15 6.805 9.058 6.437 1.00 0.00 N ATOM 199 CA THR A 15 7.480 8.747 5.183 1.00 0.00 C ATOM 200 C THR A 15 8.301 7.468 5.302 1.00 0.00 C ATOM 201 O THR A 15 9.073 7.300 6.246 1.00 0.00 O ATOM 202 CB THR A 15 8.405 9.898 4.744 1.00 0.00 C ATOM 203 OG1 THR A 15 7.652 11.108 4.609 1.00 0.00 O ATOM 204 CG2 THR A 15 9.088 9.570 3.425 1.00 0.00 C ATOM 0 H THR A 15 7.126 9.915 6.888 1.00 0.00 H new ATOM 0 HA THR A 15 6.703 8.607 4.432 1.00 0.00 H new ATOM 0 HB THR A 15 9.171 10.031 5.508 1.00 0.00 H new ATOM 0 HG1 THR A 15 8.248 11.835 4.331 1.00 0.00 H new ATOM 0 HG21 THR A 15 9.736 10.397 3.135 1.00 0.00 H new ATOM 0 HG22 THR A 15 9.684 8.665 3.539 1.00 0.00 H new ATOM 0 HG23 THR A 15 8.334 9.413 2.654 1.00 0.00 H new ATOM 212 N PHE A 16 8.129 6.569 4.339 1.00 0.00 N ATOM 213 CA PHE A 16 8.854 5.304 4.336 1.00 0.00 C ATOM 214 C PHE A 16 9.968 5.318 3.293 1.00 0.00 C ATOM 215 O PHE A 16 9.904 6.057 2.312 1.00 0.00 O ATOM 216 CB PHE A 16 7.896 4.143 4.060 1.00 0.00 C ATOM 217 CG PHE A 16 8.595 2.844 3.779 1.00 0.00 C ATOM 218 CD1 PHE A 16 9.478 2.303 4.699 1.00 0.00 C ATOM 219 CD2 PHE A 16 8.368 2.163 2.593 1.00 0.00 C ATOM 220 CE1 PHE A 16 10.121 1.107 4.443 1.00 0.00 C ATOM 221 CE2 PHE A 16 9.009 0.967 2.332 1.00 0.00 C ATOM 222 CZ PHE A 16 9.887 0.438 3.257 1.00 0.00 C ATOM 0 H PHE A 16 7.494 6.693 3.551 1.00 0.00 H new ATOM 0 HA PHE A 16 9.303 5.169 5.320 1.00 0.00 H new ATOM 0 HB2 PHE A 16 7.237 4.014 4.919 1.00 0.00 H new ATOM 0 HB3 PHE A 16 7.264 4.398 3.209 1.00 0.00 H new ATOM 0 HD1 PHE A 16 9.666 2.822 5.627 1.00 0.00 H new ATOM 0 HD2 PHE A 16 7.683 2.572 1.865 1.00 0.00 H new ATOM 0 HE1 PHE A 16 10.806 0.695 5.169 1.00 0.00 H new ATOM 0 HE2 PHE A 16 8.823 0.446 1.404 1.00 0.00 H new ATOM 0 HZ PHE A 16 10.389 -0.496 3.054 1.00 0.00 H new ATOM 232 N GLU A 17 10.989 4.495 3.515 1.00 0.00 N ATOM 233 CA GLU A 17 12.117 4.414 2.596 1.00 0.00 C ATOM 234 C GLU A 17 12.324 2.981 2.114 1.00 0.00 C ATOM 235 O GLU A 17 13.001 2.175 2.753 1.00 0.00 O ATOM 236 CB GLU A 17 13.392 4.925 3.271 1.00 0.00 C ATOM 237 CG GLU A 17 13.559 6.433 3.192 1.00 0.00 C ATOM 238 CD GLU A 17 15.014 6.859 3.182 1.00 0.00 C ATOM 239 OE1 GLU A 17 15.788 6.304 2.374 1.00 0.00 O ATOM 240 OE2 GLU A 17 15.379 7.747 3.981 1.00 0.00 O ATOM 0 H GLU A 17 11.057 3.876 4.323 1.00 0.00 H new ATOM 0 HA GLU A 17 11.895 5.042 1.733 1.00 0.00 H new ATOM 0 HB2 GLU A 17 13.385 4.623 4.318 1.00 0.00 H new ATOM 0 HB3 GLU A 17 14.255 4.447 2.807 1.00 0.00 H new ATOM 0 HG2 GLU A 17 13.070 6.802 2.290 1.00 0.00 H new ATOM 0 HG3 GLU A 17 13.055 6.896 4.040 1.00 0.00 H new ATOM 247 N PRO A 18 11.727 2.654 0.958 1.00 0.00 N ATOM 248 CA PRO A 18 11.831 1.318 0.364 1.00 0.00 C ATOM 249 C PRO A 18 13.231 1.025 -0.164 1.00 0.00 C ATOM 250 O PRO A 18 13.746 1.745 -1.019 1.00 0.00 O ATOM 251 CB PRO A 18 10.824 1.363 -0.789 1.00 0.00 C ATOM 252 CG PRO A 18 10.720 2.806 -1.144 1.00 0.00 C ATOM 253 CD PRO A 18 10.906 3.563 0.142 1.00 0.00 C ATOM 0 HA PRO A 18 11.632 0.532 1.092 1.00 0.00 H new ATOM 0 HB2 PRO A 18 11.166 0.770 -1.637 1.00 0.00 H new ATOM 0 HB3 PRO A 18 9.858 0.959 -0.487 1.00 0.00 H new ATOM 0 HG2 PRO A 18 11.480 3.084 -1.874 1.00 0.00 H new ATOM 0 HG3 PRO A 18 9.751 3.029 -1.592 1.00 0.00 H new ATOM 0 HD2 PRO A 18 11.406 4.517 -0.022 1.00 0.00 H new ATOM 0 HD3 PRO A 18 9.952 3.782 0.621 1.00 0.00 H new ATOM 261 N ARG A 19 13.843 -0.037 0.352 1.00 0.00 N ATOM 262 CA ARG A 19 15.184 -0.424 -0.067 1.00 0.00 C ATOM 263 C ARG A 19 15.135 -1.271 -1.336 1.00 0.00 C ATOM 264 O ARG A 19 16.083 -1.289 -2.121 1.00 0.00 O ATOM 265 CB ARG A 19 15.886 -1.200 1.049 1.00 0.00 C ATOM 266 CG ARG A 19 15.454 -0.783 2.445 1.00 0.00 C ATOM 267 CD ARG A 19 15.671 0.704 2.675 1.00 0.00 C ATOM 268 NE ARG A 19 17.050 1.103 2.409 1.00 0.00 N ATOM 269 CZ ARG A 19 17.513 2.331 2.616 1.00 0.00 C ATOM 270 NH1 ARG A 19 16.710 3.275 3.088 1.00 0.00 N ATOM 271 NH2 ARG A 19 18.781 2.618 2.350 1.00 0.00 N ATOM 0 H ARG A 19 13.431 -0.644 1.061 1.00 0.00 H new ATOM 0 HA ARG A 19 15.747 0.485 -0.279 1.00 0.00 H new ATOM 0 HB2 ARG A 19 15.689 -2.264 0.920 1.00 0.00 H new ATOM 0 HB3 ARG A 19 16.963 -1.061 0.954 1.00 0.00 H new ATOM 0 HG2 ARG A 19 14.401 -1.024 2.588 1.00 0.00 H new ATOM 0 HG3 ARG A 19 16.015 -1.352 3.186 1.00 0.00 H new ATOM 0 HD2 ARG A 19 14.999 1.272 2.032 1.00 0.00 H new ATOM 0 HD3 ARG A 19 15.414 0.953 3.705 1.00 0.00 H new ATOM 0 HE ARG A 19 17.693 0.400 2.044 1.00 0.00 H new ATOM 0 HH11 ARG A 19 15.734 3.059 3.293 1.00 0.00 H new ATOM 0 HH12 ARG A 19 17.068 4.217 3.246 1.00 0.00 H new ATOM 0 HH21 ARG A 19 19.402 1.895 1.986 1.00 0.00 H new ATOM 0 HH22 ARG A 19 19.135 3.561 2.510 1.00 0.00 H new ATOM 285 N THR A 20 14.022 -1.971 -1.531 1.00 0.00 N ATOM 286 CA THR A 20 13.848 -2.821 -2.702 1.00 0.00 C ATOM 287 C THR A 20 12.966 -2.146 -3.745 1.00 0.00 C ATOM 288 O THR A 20 12.045 -1.394 -3.422 1.00 0.00 O ATOM 289 CB THR A 20 13.229 -4.180 -2.324 1.00 0.00 C ATOM 290 OG1 THR A 20 11.821 -4.034 -2.111 1.00 0.00 O ATOM 291 CG2 THR A 20 13.882 -4.742 -1.071 1.00 0.00 C ATOM 0 H THR A 20 13.227 -1.966 -0.892 1.00 0.00 H new ATOM 0 HA THR A 20 14.840 -2.987 -3.122 1.00 0.00 H new ATOM 0 HB THR A 20 13.401 -4.875 -3.146 1.00 0.00 H new ATOM 0 HG1 THR A 20 11.635 -4.028 -1.149 1.00 0.00 H new ATOM 0 HG21 THR A 20 13.429 -5.702 -0.824 1.00 0.00 H new ATOM 0 HG22 THR A 20 14.949 -4.879 -1.247 1.00 0.00 H new ATOM 0 HG23 THR A 20 13.737 -4.048 -0.243 1.00 0.00 H new ATOM 299 N PRO A 21 13.250 -2.418 -5.028 1.00 0.00 N ATOM 300 CA PRO A 21 12.491 -1.847 -6.145 1.00 0.00 C ATOM 301 C PRO A 21 11.078 -2.413 -6.236 1.00 0.00 C ATOM 302 O PRO A 21 10.312 -2.054 -7.130 1.00 0.00 O ATOM 303 CB PRO A 21 13.310 -2.252 -7.373 1.00 0.00 C ATOM 304 CG PRO A 21 14.044 -3.478 -6.951 1.00 0.00 C ATOM 305 CD PRO A 21 14.333 -3.304 -5.486 1.00 0.00 C ATOM 0 HA PRO A 21 12.359 -0.770 -6.040 1.00 0.00 H new ATOM 0 HB2 PRO A 21 12.667 -2.451 -8.230 1.00 0.00 H new ATOM 0 HB3 PRO A 21 13.999 -1.460 -7.668 1.00 0.00 H new ATOM 0 HG2 PRO A 21 13.445 -4.371 -7.127 1.00 0.00 H new ATOM 0 HG3 PRO A 21 14.967 -3.596 -7.519 1.00 0.00 H new ATOM 0 HD2 PRO A 21 14.322 -4.258 -4.958 1.00 0.00 H new ATOM 0 HD3 PRO A 21 15.314 -2.859 -5.320 1.00 0.00 H new ATOM 313 N ASP A 22 10.740 -3.298 -5.305 1.00 0.00 N ATOM 314 CA ASP A 22 9.417 -3.912 -5.279 1.00 0.00 C ATOM 315 C ASP A 22 8.492 -3.170 -4.319 1.00 0.00 C ATOM 316 O ASP A 22 7.273 -3.179 -4.487 1.00 0.00 O ATOM 317 CB ASP A 22 9.523 -5.382 -4.871 1.00 0.00 C ATOM 318 CG ASP A 22 8.419 -6.230 -5.471 1.00 0.00 C ATOM 319 OD1 ASP A 22 7.997 -5.937 -6.610 1.00 0.00 O ATOM 320 OD2 ASP A 22 7.977 -7.188 -4.803 1.00 0.00 O ATOM 0 H ASP A 22 11.363 -3.606 -4.559 1.00 0.00 H new ATOM 0 HA ASP A 22 8.994 -3.850 -6.282 1.00 0.00 H new ATOM 0 HB2 ASP A 22 10.490 -5.774 -5.185 1.00 0.00 H new ATOM 0 HB3 ASP A 22 9.486 -5.458 -3.784 1.00 0.00 H new ATOM 325 N GLU A 23 9.080 -2.530 -3.314 1.00 0.00 N ATOM 326 CA GLU A 23 8.307 -1.785 -2.327 1.00 0.00 C ATOM 327 C GLU A 23 7.770 -0.487 -2.923 1.00 0.00 C ATOM 328 O GLU A 23 8.173 -0.078 -4.013 1.00 0.00 O ATOM 329 CB GLU A 23 9.167 -1.477 -1.099 1.00 0.00 C ATOM 330 CG GLU A 23 9.313 -2.653 -0.148 1.00 0.00 C ATOM 331 CD GLU A 23 10.628 -2.634 0.607 1.00 0.00 C ATOM 332 OE1 GLU A 23 10.938 -1.599 1.232 1.00 0.00 O ATOM 333 OE2 GLU A 23 11.346 -3.655 0.573 1.00 0.00 O ATOM 0 H GLU A 23 10.088 -2.512 -3.161 1.00 0.00 H new ATOM 0 HA GLU A 23 7.462 -2.403 -2.024 1.00 0.00 H new ATOM 0 HB2 GLU A 23 10.157 -1.162 -1.429 1.00 0.00 H new ATOM 0 HB3 GLU A 23 8.729 -0.637 -0.560 1.00 0.00 H new ATOM 0 HG2 GLU A 23 8.489 -2.643 0.565 1.00 0.00 H new ATOM 0 HG3 GLU A 23 9.235 -3.583 -0.712 1.00 0.00 H new ATOM 340 N LEU A 24 6.859 0.156 -2.202 1.00 0.00 N ATOM 341 CA LEU A 24 6.265 1.408 -2.659 1.00 0.00 C ATOM 342 C LEU A 24 6.632 2.557 -1.725 1.00 0.00 C ATOM 343 O LEU A 24 6.433 2.473 -0.513 1.00 0.00 O ATOM 344 CB LEU A 24 4.744 1.272 -2.745 1.00 0.00 C ATOM 345 CG LEU A 24 3.975 2.548 -3.088 1.00 0.00 C ATOM 346 CD1 LEU A 24 4.179 2.919 -4.549 1.00 0.00 C ATOM 347 CD2 LEU A 24 2.494 2.377 -2.781 1.00 0.00 C ATOM 0 H LEU A 24 6.515 -0.169 -1.298 1.00 0.00 H new ATOM 0 HA LEU A 24 6.661 1.629 -3.650 1.00 0.00 H new ATOM 0 HB2 LEU A 24 4.509 0.517 -3.495 1.00 0.00 H new ATOM 0 HB3 LEU A 24 4.378 0.897 -1.789 1.00 0.00 H new ATOM 0 HG LEU A 24 4.362 3.359 -2.471 1.00 0.00 H new ATOM 0 HD11 LEU A 24 3.624 3.830 -4.774 1.00 0.00 H new ATOM 0 HD12 LEU A 24 5.240 3.085 -4.738 1.00 0.00 H new ATOM 0 HD13 LEU A 24 3.820 2.109 -5.184 1.00 0.00 H new ATOM 0 HD21 LEU A 24 1.962 3.295 -3.031 1.00 0.00 H new ATOM 0 HD22 LEU A 24 2.093 1.553 -3.371 1.00 0.00 H new ATOM 0 HD23 LEU A 24 2.365 2.161 -1.721 1.00 0.00 H new ATOM 359 N TYR A 25 7.167 3.630 -2.298 1.00 0.00 N ATOM 360 CA TYR A 25 7.562 4.796 -1.517 1.00 0.00 C ATOM 361 C TYR A 25 6.387 5.753 -1.335 1.00 0.00 C ATOM 362 O TYR A 25 5.724 6.131 -2.301 1.00 0.00 O ATOM 363 CB TYR A 25 8.724 5.522 -2.198 1.00 0.00 C ATOM 364 CG TYR A 25 8.891 6.955 -1.745 1.00 0.00 C ATOM 365 CD1 TYR A 25 9.572 7.258 -0.572 1.00 0.00 C ATOM 366 CD2 TYR A 25 8.368 8.005 -2.489 1.00 0.00 C ATOM 367 CE1 TYR A 25 9.727 8.566 -0.154 1.00 0.00 C ATOM 368 CE2 TYR A 25 8.520 9.315 -2.080 1.00 0.00 C ATOM 369 CZ TYR A 25 9.199 9.591 -0.912 1.00 0.00 C ATOM 370 OH TYR A 25 9.351 10.895 -0.500 1.00 0.00 O ATOM 0 H TYR A 25 7.337 3.716 -3.300 1.00 0.00 H new ATOM 0 HA TYR A 25 7.883 4.452 -0.534 1.00 0.00 H new ATOM 0 HB2 TYR A 25 9.647 4.977 -2.001 1.00 0.00 H new ATOM 0 HB3 TYR A 25 8.569 5.506 -3.277 1.00 0.00 H new ATOM 0 HD1 TYR A 25 9.987 6.458 0.023 1.00 0.00 H new ATOM 0 HD2 TYR A 25 7.833 7.793 -3.403 1.00 0.00 H new ATOM 0 HE1 TYR A 25 10.258 8.785 0.761 1.00 0.00 H new ATOM 0 HE2 TYR A 25 8.109 10.119 -2.672 1.00 0.00 H new ATOM 0 HH TYR A 25 8.922 11.494 -1.146 1.00 0.00 H new ATOM 380 N PHE A 26 6.136 6.141 -0.089 1.00 0.00 N ATOM 381 CA PHE A 26 5.042 7.053 0.222 1.00 0.00 C ATOM 382 C PHE A 26 5.496 8.133 1.199 1.00 0.00 C ATOM 383 O PHE A 26 6.537 8.005 1.842 1.00 0.00 O ATOM 384 CB PHE A 26 3.858 6.282 0.810 1.00 0.00 C ATOM 385 CG PHE A 26 4.268 5.136 1.691 1.00 0.00 C ATOM 386 CD1 PHE A 26 4.676 3.933 1.140 1.00 0.00 C ATOM 387 CD2 PHE A 26 4.243 5.264 3.071 1.00 0.00 C ATOM 388 CE1 PHE A 26 5.054 2.877 1.949 1.00 0.00 C ATOM 389 CE2 PHE A 26 4.620 4.212 3.884 1.00 0.00 C ATOM 390 CZ PHE A 26 5.025 3.016 3.322 1.00 0.00 C ATOM 0 H PHE A 26 6.676 5.838 0.722 1.00 0.00 H new ATOM 0 HA PHE A 26 4.729 7.534 -0.704 1.00 0.00 H new ATOM 0 HB2 PHE A 26 3.237 6.969 1.386 1.00 0.00 H new ATOM 0 HB3 PHE A 26 3.242 5.902 -0.005 1.00 0.00 H new ATOM 0 HD1 PHE A 26 4.699 3.818 0.066 1.00 0.00 H new ATOM 0 HD2 PHE A 26 3.926 6.196 3.516 1.00 0.00 H new ATOM 0 HE1 PHE A 26 5.372 1.944 1.507 1.00 0.00 H new ATOM 0 HE2 PHE A 26 4.598 4.324 4.958 1.00 0.00 H new ATOM 0 HZ PHE A 26 5.318 2.192 3.956 1.00 0.00 H new ATOM 400 N GLU A 27 4.706 9.197 1.304 1.00 0.00 N ATOM 401 CA GLU A 27 5.027 10.301 2.201 1.00 0.00 C ATOM 402 C GLU A 27 3.979 10.429 3.303 1.00 0.00 C ATOM 403 O GLU A 27 2.807 10.116 3.098 1.00 0.00 O ATOM 404 CB GLU A 27 5.123 11.612 1.419 1.00 0.00 C ATOM 405 CG GLU A 27 6.230 11.620 0.378 1.00 0.00 C ATOM 406 CD GLU A 27 5.768 11.098 -0.968 1.00 0.00 C ATOM 407 OE1 GLU A 27 4.836 10.267 -0.994 1.00 0.00 O ATOM 408 OE2 GLU A 27 6.338 11.519 -1.996 1.00 0.00 O ATOM 0 H GLU A 27 3.840 9.318 0.779 1.00 0.00 H new ATOM 0 HA GLU A 27 5.992 10.091 2.663 1.00 0.00 H new ATOM 0 HB2 GLU A 27 4.170 11.801 0.925 1.00 0.00 H new ATOM 0 HB3 GLU A 27 5.288 12.431 2.119 1.00 0.00 H new ATOM 0 HG2 GLU A 27 6.605 12.636 0.260 1.00 0.00 H new ATOM 0 HG3 GLU A 27 7.062 11.012 0.733 1.00 0.00 H new ATOM 415 N GLU A 28 4.412 10.891 4.472 1.00 0.00 N ATOM 416 CA GLU A 28 3.511 11.059 5.607 1.00 0.00 C ATOM 417 C GLU A 28 2.167 11.623 5.156 1.00 0.00 C ATOM 418 O GLU A 28 2.094 12.722 4.608 1.00 0.00 O ATOM 419 CB GLU A 28 4.139 11.983 6.652 1.00 0.00 C ATOM 420 CG GLU A 28 3.193 12.356 7.782 1.00 0.00 C ATOM 421 CD GLU A 28 3.814 13.327 8.766 1.00 0.00 C ATOM 422 OE1 GLU A 28 3.684 14.551 8.555 1.00 0.00 O ATOM 423 OE2 GLU A 28 4.431 12.863 9.748 1.00 0.00 O ATOM 0 H GLU A 28 5.379 11.155 4.658 1.00 0.00 H new ATOM 0 HA GLU A 28 3.343 10.079 6.053 1.00 0.00 H new ATOM 0 HB2 GLU A 28 5.020 11.497 7.072 1.00 0.00 H new ATOM 0 HB3 GLU A 28 4.481 12.894 6.161 1.00 0.00 H new ATOM 0 HG2 GLU A 28 2.289 12.798 7.363 1.00 0.00 H new ATOM 0 HG3 GLU A 28 2.891 11.452 8.311 1.00 0.00 H new ATOM 430 N GLY A 29 1.103 10.860 5.390 1.00 0.00 N ATOM 431 CA GLY A 29 -0.225 11.299 5.001 1.00 0.00 C ATOM 432 C GLY A 29 -0.549 10.958 3.560 1.00 0.00 C ATOM 433 O GLY A 29 -0.944 11.828 2.783 1.00 0.00 O ATOM 0 H GLY A 29 1.137 9.946 5.842 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -0.964 10.836 5.656 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -0.304 12.377 5.143 1.00 0.00 H new ATOM 437 N ASP A 30 -0.381 9.690 3.202 1.00 0.00 N ATOM 438 CA ASP A 30 -0.658 9.236 1.844 1.00 0.00 C ATOM 439 C ASP A 30 -1.592 8.030 1.854 1.00 0.00 C ATOM 440 O ASP A 30 -1.290 7.004 2.465 1.00 0.00 O ATOM 441 CB ASP A 30 0.645 8.882 1.126 1.00 0.00 C ATOM 442 CG ASP A 30 1.246 10.068 0.397 1.00 0.00 C ATOM 443 OD1 ASP A 30 1.660 11.033 1.073 1.00 0.00 O ATOM 444 OD2 ASP A 30 1.301 10.032 -0.850 1.00 0.00 O ATOM 0 H ASP A 30 -0.054 8.958 3.833 1.00 0.00 H new ATOM 0 HA ASP A 30 -1.149 10.049 1.309 1.00 0.00 H new ATOM 0 HB2 ASP A 30 1.365 8.503 1.852 1.00 0.00 H new ATOM 0 HB3 ASP A 30 0.457 8.079 0.414 1.00 0.00 H new ATOM 449 N ILE A 31 -2.726 8.161 1.174 1.00 0.00 N ATOM 450 CA ILE A 31 -3.703 7.082 1.106 1.00 0.00 C ATOM 451 C ILE A 31 -3.136 5.872 0.370 1.00 0.00 C ATOM 452 O ILE A 31 -2.496 6.012 -0.673 1.00 0.00 O ATOM 453 CB ILE A 31 -4.996 7.536 0.402 1.00 0.00 C ATOM 454 CG1 ILE A 31 -5.614 8.724 1.142 1.00 0.00 C ATOM 455 CG2 ILE A 31 -5.986 6.385 0.317 1.00 0.00 C ATOM 456 CD1 ILE A 31 -5.963 8.423 2.583 1.00 0.00 C ATOM 0 H ILE A 31 -2.991 9.003 0.663 1.00 0.00 H new ATOM 0 HA ILE A 31 -3.937 6.803 2.134 1.00 0.00 H new ATOM 0 HB ILE A 31 -4.749 7.851 -0.612 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -4.918 9.562 1.113 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -6.515 9.040 0.617 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -6.894 6.722 -0.183 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -5.543 5.565 -0.249 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -6.231 6.041 1.322 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -6.396 9.310 3.045 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -6.683 7.606 2.620 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -5.061 8.136 3.124 1.00 0.00 H new ATOM 468 N ILE A 32 -3.377 4.686 0.918 1.00 0.00 N ATOM 469 CA ILE A 32 -2.892 3.452 0.312 1.00 0.00 C ATOM 470 C ILE A 32 -3.997 2.403 0.244 1.00 0.00 C ATOM 471 O ILE A 32 -4.847 2.323 1.131 1.00 0.00 O ATOM 472 CB ILE A 32 -1.697 2.874 1.092 1.00 0.00 C ATOM 473 CG1 ILE A 32 -0.686 3.977 1.412 1.00 0.00 C ATOM 474 CG2 ILE A 32 -1.037 1.757 0.298 1.00 0.00 C ATOM 475 CD1 ILE A 32 0.440 3.522 2.314 1.00 0.00 C ATOM 0 H ILE A 32 -3.905 4.553 1.780 1.00 0.00 H new ATOM 0 HA ILE A 32 -2.568 3.702 -0.699 1.00 0.00 H new ATOM 0 HB ILE A 32 -2.062 2.459 2.031 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -0.264 4.354 0.480 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -1.206 4.809 1.886 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -0.194 1.358 0.862 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -1.761 0.962 0.117 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -0.683 2.149 -0.655 1.00 0.00 H new ATOM 0 HD11 ILE A 32 1.118 4.355 2.498 1.00 0.00 H new ATOM 0 HD12 ILE A 32 0.029 3.172 3.261 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.986 2.710 1.834 1.00 0.00 H new ATOM 487 N TYR A 33 -3.977 1.599 -0.813 1.00 0.00 N ATOM 488 CA TYR A 33 -4.977 0.554 -0.998 1.00 0.00 C ATOM 489 C TYR A 33 -4.370 -0.827 -0.771 1.00 0.00 C ATOM 490 O TYR A 33 -3.662 -1.355 -1.629 1.00 0.00 O ATOM 491 CB TYR A 33 -5.576 0.636 -2.403 1.00 0.00 C ATOM 492 CG TYR A 33 -6.797 1.522 -2.490 1.00 0.00 C ATOM 493 CD1 TYR A 33 -6.673 2.893 -2.682 1.00 0.00 C ATOM 494 CD2 TYR A 33 -8.076 0.990 -2.382 1.00 0.00 C ATOM 495 CE1 TYR A 33 -7.786 3.707 -2.762 1.00 0.00 C ATOM 496 CE2 TYR A 33 -9.195 1.796 -2.462 1.00 0.00 C ATOM 497 CZ TYR A 33 -9.045 3.154 -2.651 1.00 0.00 C ATOM 498 OH TYR A 33 -10.156 3.961 -2.731 1.00 0.00 O ATOM 0 H TYR A 33 -3.279 1.651 -1.555 1.00 0.00 H new ATOM 0 HA TYR A 33 -5.768 0.708 -0.264 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -4.817 1.009 -3.091 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -5.842 -0.368 -2.735 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -5.689 3.329 -2.770 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -8.197 -0.073 -2.233 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -7.671 4.771 -2.911 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -10.182 1.365 -2.377 1.00 0.00 H new ATOM 0 HH TYR A 33 -10.964 3.415 -2.635 1.00 0.00 H new ATOM 508 N ILE A 34 -4.653 -1.406 0.391 1.00 0.00 N ATOM 509 CA ILE A 34 -4.137 -2.726 0.732 1.00 0.00 C ATOM 510 C ILE A 34 -5.181 -3.807 0.474 1.00 0.00 C ATOM 511 O ILE A 34 -6.075 -4.031 1.292 1.00 0.00 O ATOM 512 CB ILE A 34 -3.696 -2.795 2.206 1.00 0.00 C ATOM 513 CG1 ILE A 34 -2.696 -1.678 2.514 1.00 0.00 C ATOM 514 CG2 ILE A 34 -3.090 -4.156 2.514 1.00 0.00 C ATOM 515 CD1 ILE A 34 -1.455 -1.723 1.650 1.00 0.00 C ATOM 0 H ILE A 34 -5.237 -0.982 1.112 1.00 0.00 H new ATOM 0 HA ILE A 34 -3.271 -2.901 0.094 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.572 -2.658 2.840 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -3.187 -0.714 2.380 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.402 -1.743 3.562 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -2.783 -4.189 3.559 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -3.830 -4.934 2.328 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.222 -4.321 1.876 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.791 -0.903 1.923 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -0.940 -2.672 1.802 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -1.738 -1.627 0.602 1.00 0.00 H new ATOM 527 N THR A 35 -5.062 -4.478 -0.668 1.00 0.00 N ATOM 528 CA THR A 35 -5.994 -5.536 -1.033 1.00 0.00 C ATOM 529 C THR A 35 -5.434 -6.909 -0.680 1.00 0.00 C ATOM 530 O THR A 35 -6.172 -7.804 -0.266 1.00 0.00 O ATOM 531 CB THR A 35 -6.323 -5.501 -2.538 1.00 0.00 C ATOM 532 OG1 THR A 35 -5.127 -5.680 -3.305 1.00 0.00 O ATOM 533 CG2 THR A 35 -6.981 -4.183 -2.917 1.00 0.00 C ATOM 0 H THR A 35 -4.328 -4.307 -1.356 1.00 0.00 H new ATOM 0 HA THR A 35 -6.907 -5.362 -0.464 1.00 0.00 H new ATOM 0 HB THR A 35 -7.018 -6.312 -2.755 1.00 0.00 H new ATOM 0 HG1 THR A 35 -5.345 -5.658 -4.260 1.00 0.00 H new ATOM 0 HG21 THR A 35 -7.204 -4.181 -3.984 1.00 0.00 H new ATOM 0 HG22 THR A 35 -7.906 -4.063 -2.353 1.00 0.00 H new ATOM 0 HG23 THR A 35 -6.305 -3.359 -2.686 1.00 0.00 H new ATOM 541 N ASP A 36 -4.125 -7.069 -0.844 1.00 0.00 N ATOM 542 CA ASP A 36 -3.465 -8.333 -0.540 1.00 0.00 C ATOM 543 C ASP A 36 -2.764 -8.268 0.814 1.00 0.00 C ATOM 544 O ASP A 36 -1.812 -7.510 0.995 1.00 0.00 O ATOM 545 CB ASP A 36 -2.456 -8.682 -1.634 1.00 0.00 C ATOM 546 CG ASP A 36 -3.086 -8.718 -3.013 1.00 0.00 C ATOM 547 OD1 ASP A 36 -4.288 -9.042 -3.107 1.00 0.00 O ATOM 548 OD2 ASP A 36 -2.377 -8.421 -3.998 1.00 0.00 O ATOM 0 H ASP A 36 -3.500 -6.339 -1.186 1.00 0.00 H new ATOM 0 HA ASP A 36 -4.227 -9.111 -0.498 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -1.648 -7.950 -1.626 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -2.010 -9.652 -1.416 1.00 0.00 H new ATOM 553 N MET A 37 -3.243 -9.068 1.761 1.00 0.00 N ATOM 554 CA MET A 37 -2.661 -9.101 3.098 1.00 0.00 C ATOM 555 C MET A 37 -2.209 -10.513 3.459 1.00 0.00 C ATOM 556 O MET A 37 -2.419 -10.974 4.581 1.00 0.00 O ATOM 557 CB MET A 37 -3.672 -8.598 4.130 1.00 0.00 C ATOM 558 CG MET A 37 -3.991 -7.118 3.997 1.00 0.00 C ATOM 559 SD MET A 37 -5.515 -6.656 4.842 1.00 0.00 S ATOM 560 CE MET A 37 -5.180 -4.940 5.230 1.00 0.00 C ATOM 0 H MET A 37 -4.031 -9.701 1.628 1.00 0.00 H new ATOM 0 HA MET A 37 -1.790 -8.446 3.104 1.00 0.00 H new ATOM 0 HB2 MET A 37 -4.594 -9.170 4.032 1.00 0.00 H new ATOM 0 HB3 MET A 37 -3.283 -8.789 5.130 1.00 0.00 H new ATOM 0 HG2 MET A 37 -3.164 -6.535 4.402 1.00 0.00 H new ATOM 0 HG3 MET A 37 -4.074 -6.862 2.941 1.00 0.00 H new ATOM 0 HE1 MET A 37 -5.906 -4.584 5.960 1.00 0.00 H new ATOM 0 HE2 MET A 37 -4.176 -4.850 5.643 1.00 0.00 H new ATOM 0 HE3 MET A 37 -5.254 -4.341 4.323 1.00 0.00 H new ATOM 570 N SER A 38 -1.586 -11.193 2.502 1.00 0.00 N ATOM 571 CA SER A 38 -1.108 -12.553 2.718 1.00 0.00 C ATOM 572 C SER A 38 0.107 -12.562 3.642 1.00 0.00 C ATOM 573 O SER A 38 0.315 -13.507 4.402 1.00 0.00 O ATOM 574 CB SER A 38 -0.751 -13.210 1.383 1.00 0.00 C ATOM 575 OG SER A 38 -0.290 -14.536 1.574 1.00 0.00 O ATOM 0 H SER A 38 -1.401 -10.824 1.569 1.00 0.00 H new ATOM 0 HA SER A 38 -1.908 -13.121 3.192 1.00 0.00 H new ATOM 0 HB2 SER A 38 -1.625 -13.216 0.732 1.00 0.00 H new ATOM 0 HB3 SER A 38 0.018 -12.623 0.880 1.00 0.00 H new ATOM 0 HG SER A 38 -0.070 -14.934 0.706 1.00 0.00 H new ATOM 581 N ASP A 39 0.904 -11.502 3.570 1.00 0.00 N ATOM 582 CA ASP A 39 2.097 -11.385 4.400 1.00 0.00 C ATOM 583 C ASP A 39 1.940 -10.265 5.424 1.00 0.00 C ATOM 584 O ASP A 39 2.025 -9.083 5.087 1.00 0.00 O ATOM 585 CB ASP A 39 3.327 -11.126 3.528 1.00 0.00 C ATOM 586 CG ASP A 39 3.977 -12.409 3.048 1.00 0.00 C ATOM 587 OD1 ASP A 39 3.266 -13.247 2.455 1.00 0.00 O ATOM 588 OD2 ASP A 39 5.195 -12.575 3.265 1.00 0.00 O ATOM 0 H ASP A 39 0.746 -10.711 2.945 1.00 0.00 H new ATOM 0 HA ASP A 39 2.231 -12.325 4.935 1.00 0.00 H new ATOM 0 HB2 ASP A 39 3.038 -10.524 2.666 1.00 0.00 H new ATOM 0 HB3 ASP A 39 4.054 -10.544 4.094 1.00 0.00 H new ATOM 593 N THR A 40 1.708 -10.644 6.677 1.00 0.00 N ATOM 594 CA THR A 40 1.536 -9.672 7.749 1.00 0.00 C ATOM 595 C THR A 40 2.725 -8.721 7.826 1.00 0.00 C ATOM 596 O THR A 40 2.587 -7.574 8.249 1.00 0.00 O ATOM 597 CB THR A 40 1.360 -10.367 9.113 1.00 0.00 C ATOM 598 OG1 THR A 40 0.381 -11.407 9.010 1.00 0.00 O ATOM 599 CG2 THR A 40 0.935 -9.367 10.178 1.00 0.00 C ATOM 0 H THR A 40 1.635 -11.617 6.974 1.00 0.00 H new ATOM 0 HA THR A 40 0.635 -9.104 7.519 1.00 0.00 H new ATOM 0 HB THR A 40 2.318 -10.798 9.403 1.00 0.00 H new ATOM 0 HG1 THR A 40 0.276 -11.845 9.880 1.00 0.00 H new ATOM 0 HG21 THR A 40 0.817 -9.880 11.132 1.00 0.00 H new ATOM 0 HG22 THR A 40 1.696 -8.592 10.274 1.00 0.00 H new ATOM 0 HG23 THR A 40 -0.013 -8.911 9.891 1.00 0.00 H new ATOM 607 N ASN A 41 3.891 -9.206 7.413 1.00 0.00 N ATOM 608 CA ASN A 41 5.105 -8.398 7.435 1.00 0.00 C ATOM 609 C ASN A 41 5.149 -7.449 6.241 1.00 0.00 C ATOM 610 O ASN A 41 5.390 -6.252 6.396 1.00 0.00 O ATOM 611 CB ASN A 41 6.342 -9.298 7.431 1.00 0.00 C ATOM 612 CG ASN A 41 6.401 -10.206 8.645 1.00 0.00 C ATOM 613 OD1 ASN A 41 7.005 -9.863 9.661 1.00 0.00 O ATOM 614 ND2 ASN A 41 5.772 -11.371 8.543 1.00 0.00 N ATOM 0 H ASN A 41 4.021 -10.154 7.059 1.00 0.00 H new ATOM 0 HA ASN A 41 5.099 -7.804 8.349 1.00 0.00 H new ATOM 0 HB2 ASN A 41 6.343 -9.906 6.526 1.00 0.00 H new ATOM 0 HB3 ASN A 41 7.238 -8.679 7.400 1.00 0.00 H new ATOM 0 HD21 ASN A 41 5.777 -12.024 9.327 1.00 0.00 H new ATOM 0 HD22 ASN A 41 5.284 -11.613 7.681 1.00 0.00 H new ATOM 621 N TRP A 42 4.913 -7.992 5.053 1.00 0.00 N ATOM 622 CA TRP A 42 4.925 -7.194 3.832 1.00 0.00 C ATOM 623 C TRP A 42 3.575 -7.259 3.126 1.00 0.00 C ATOM 624 O TRP A 42 3.095 -8.339 2.783 1.00 0.00 O ATOM 625 CB TRP A 42 6.029 -7.679 2.892 1.00 0.00 C ATOM 626 CG TRP A 42 7.387 -7.157 3.251 1.00 0.00 C ATOM 627 CD1 TRP A 42 8.434 -7.874 3.756 1.00 0.00 C ATOM 628 CD2 TRP A 42 7.844 -5.805 3.134 1.00 0.00 C ATOM 629 NE1 TRP A 42 9.514 -7.049 3.960 1.00 0.00 N ATOM 630 CE2 TRP A 42 9.178 -5.775 3.585 1.00 0.00 C ATOM 631 CE3 TRP A 42 7.256 -4.617 2.689 1.00 0.00 C ATOM 632 CZ2 TRP A 42 9.930 -4.604 3.606 1.00 0.00 C ATOM 633 CZ3 TRP A 42 8.005 -3.455 2.710 1.00 0.00 C ATOM 634 CH2 TRP A 42 9.330 -3.455 3.165 1.00 0.00 C ATOM 0 H TRP A 42 4.711 -8.981 4.908 1.00 0.00 H new ATOM 0 HA TRP A 42 5.121 -6.158 4.107 1.00 0.00 H new ATOM 0 HB2 TRP A 42 6.052 -8.769 2.902 1.00 0.00 H new ATOM 0 HB3 TRP A 42 5.788 -7.375 1.873 1.00 0.00 H new ATOM 0 HD1 TRP A 42 8.416 -8.934 3.964 1.00 0.00 H new ATOM 0 HE1 TRP A 42 10.419 -7.338 4.331 1.00 0.00 H new ATOM 0 HE3 TRP A 42 6.236 -4.607 2.335 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 10.951 -4.602 3.958 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 7.561 -2.531 2.370 1.00 0.00 H new ATOM 0 HH2 TRP A 42 9.889 -2.531 3.168 1.00 0.00 H new ATOM 645 N TRP A 43 2.968 -6.097 2.914 1.00 0.00 N ATOM 646 CA TRP A 43 1.672 -6.023 2.248 1.00 0.00 C ATOM 647 C TRP A 43 1.827 -5.553 0.806 1.00 0.00 C ATOM 648 O TRP A 43 2.879 -5.048 0.416 1.00 0.00 O ATOM 649 CB TRP A 43 0.739 -5.078 3.008 1.00 0.00 C ATOM 650 CG TRP A 43 0.171 -5.681 4.257 1.00 0.00 C ATOM 651 CD1 TRP A 43 0.182 -7.001 4.608 1.00 0.00 C ATOM 652 CD2 TRP A 43 -0.494 -4.987 5.318 1.00 0.00 C ATOM 653 NE1 TRP A 43 -0.436 -7.169 5.824 1.00 0.00 N ATOM 654 CE2 TRP A 43 -0.858 -5.949 6.281 1.00 0.00 C ATOM 655 CE3 TRP A 43 -0.815 -3.647 5.550 1.00 0.00 C ATOM 656 CZ2 TRP A 43 -1.528 -5.611 7.454 1.00 0.00 C ATOM 657 CZ3 TRP A 43 -1.480 -3.313 6.714 1.00 0.00 C ATOM 658 CH2 TRP A 43 -1.830 -4.291 7.655 1.00 0.00 C ATOM 0 H TRP A 43 3.351 -5.194 3.193 1.00 0.00 H new ATOM 0 HA TRP A 43 1.238 -7.023 2.240 1.00 0.00 H new ATOM 0 HB2 TRP A 43 1.285 -4.171 3.267 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -0.079 -4.781 2.352 1.00 0.00 H new ATOM 0 HD1 TRP A 43 0.613 -7.796 4.017 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -0.560 -8.058 6.308 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -0.548 -2.886 4.832 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -1.800 -6.364 8.179 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -1.735 -2.280 6.902 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -2.348 -3.998 8.556 1.00 0.00 H new ATOM 669 N LYS A 44 0.771 -5.723 0.017 1.00 0.00 N ATOM 670 CA LYS A 44 0.789 -5.315 -1.383 1.00 0.00 C ATOM 671 C LYS A 44 -0.396 -4.408 -1.701 1.00 0.00 C ATOM 672 O LYS A 44 -1.546 -4.845 -1.685 1.00 0.00 O ATOM 673 CB LYS A 44 0.763 -6.545 -2.294 1.00 0.00 C ATOM 674 CG LYS A 44 1.474 -6.335 -3.620 1.00 0.00 C ATOM 675 CD LYS A 44 1.479 -7.603 -4.457 1.00 0.00 C ATOM 676 CE LYS A 44 2.436 -7.490 -5.633 1.00 0.00 C ATOM 677 NZ LYS A 44 2.172 -8.532 -6.665 1.00 0.00 N ATOM 0 H LYS A 44 -0.108 -6.140 0.323 1.00 0.00 H new ATOM 0 HA LYS A 44 1.708 -4.757 -1.561 1.00 0.00 H new ATOM 0 HB2 LYS A 44 1.225 -7.383 -1.772 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -0.273 -6.822 -2.487 1.00 0.00 H new ATOM 0 HG2 LYS A 44 0.984 -5.534 -4.174 1.00 0.00 H new ATOM 0 HG3 LYS A 44 2.500 -6.015 -3.437 1.00 0.00 H new ATOM 0 HD2 LYS A 44 1.765 -8.450 -3.834 1.00 0.00 H new ATOM 0 HD3 LYS A 44 0.472 -7.802 -4.824 1.00 0.00 H new ATOM 0 HE2 LYS A 44 2.343 -6.502 -6.083 1.00 0.00 H new ATOM 0 HE3 LYS A 44 3.462 -7.583 -5.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 2.845 -8.421 -7.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 2.285 -9.476 -6.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 1.201 -8.427 -7.024 1.00 0.00 H new ATOM 691 N GLY A 45 -0.106 -3.143 -1.991 1.00 0.00 N ATOM 692 CA GLY A 45 -1.158 -2.196 -2.309 1.00 0.00 C ATOM 693 C GLY A 45 -0.688 -1.101 -3.247 1.00 0.00 C ATOM 694 O GLY A 45 0.466 -1.092 -3.674 1.00 0.00 O ATOM 0 H GLY A 45 0.838 -2.758 -2.011 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -1.994 -2.726 -2.764 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -1.529 -1.747 -1.388 1.00 0.00 H new ATOM 698 N THR A 46 -1.586 -0.175 -3.569 1.00 0.00 N ATOM 699 CA THR A 46 -1.258 0.928 -4.464 1.00 0.00 C ATOM 700 C THR A 46 -1.682 2.265 -3.867 1.00 0.00 C ATOM 701 O THR A 46 -2.793 2.403 -3.355 1.00 0.00 O ATOM 702 CB THR A 46 -1.931 0.756 -5.838 1.00 0.00 C ATOM 703 OG1 THR A 46 -1.167 -0.144 -6.649 1.00 0.00 O ATOM 704 CG2 THR A 46 -2.066 2.095 -6.547 1.00 0.00 C ATOM 0 H THR A 46 -2.546 -0.167 -3.223 1.00 0.00 H new ATOM 0 HA THR A 46 -0.176 0.918 -4.594 1.00 0.00 H new ATOM 0 HB THR A 46 -2.928 0.345 -5.680 1.00 0.00 H new ATOM 0 HG1 THR A 46 -0.558 0.368 -7.222 1.00 0.00 H new ATOM 0 HG21 THR A 46 -2.544 1.947 -7.515 1.00 0.00 H new ATOM 0 HG22 THR A 46 -2.673 2.768 -5.941 1.00 0.00 H new ATOM 0 HG23 THR A 46 -1.078 2.531 -6.693 1.00 0.00 H new ATOM 712 N SER A 47 -0.791 3.249 -3.937 1.00 0.00 N ATOM 713 CA SER A 47 -1.072 4.575 -3.400 1.00 0.00 C ATOM 714 C SER A 47 -1.040 5.626 -4.505 1.00 0.00 C ATOM 715 O SER A 47 -2.082 6.093 -4.966 1.00 0.00 O ATOM 716 CB SER A 47 -0.059 4.933 -2.310 1.00 0.00 C ATOM 717 OG SER A 47 -0.304 6.229 -1.792 1.00 0.00 O ATOM 0 H SER A 47 0.132 3.153 -4.361 1.00 0.00 H new ATOM 0 HA SER A 47 -2.072 4.560 -2.966 1.00 0.00 H new ATOM 0 HB2 SER A 47 -0.112 4.200 -1.505 1.00 0.00 H new ATOM 0 HB3 SER A 47 0.951 4.886 -2.718 1.00 0.00 H new ATOM 0 HG SER A 47 -0.860 6.160 -0.988 1.00 0.00 H new ATOM 723 N LYS A 48 0.165 5.995 -4.927 1.00 0.00 N ATOM 724 CA LYS A 48 0.336 6.990 -5.979 1.00 0.00 C ATOM 725 C LYS A 48 0.601 6.320 -7.324 1.00 0.00 C ATOM 726 O LYS A 48 1.727 5.923 -7.619 1.00 0.00 O ATOM 727 CB LYS A 48 1.489 7.935 -5.632 1.00 0.00 C ATOM 728 CG LYS A 48 1.851 8.890 -6.756 1.00 0.00 C ATOM 729 CD LYS A 48 0.973 10.130 -6.739 1.00 0.00 C ATOM 730 CE LYS A 48 -0.300 9.923 -7.546 1.00 0.00 C ATOM 731 NZ LYS A 48 -0.862 11.212 -8.036 1.00 0.00 N ATOM 0 H LYS A 48 1.038 5.620 -4.556 1.00 0.00 H new ATOM 0 HA LYS A 48 -0.587 7.565 -6.055 1.00 0.00 H new ATOM 0 HB2 LYS A 48 1.221 8.513 -4.748 1.00 0.00 H new ATOM 0 HB3 LYS A 48 2.367 7.344 -5.372 1.00 0.00 H new ATOM 0 HG2 LYS A 48 2.897 9.182 -6.663 1.00 0.00 H new ATOM 0 HG3 LYS A 48 1.746 8.382 -7.714 1.00 0.00 H new ATOM 0 HD2 LYS A 48 0.716 10.381 -5.710 1.00 0.00 H new ATOM 0 HD3 LYS A 48 1.528 10.976 -7.144 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -0.090 9.272 -8.395 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -1.042 9.414 -6.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -1.728 11.028 -8.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -1.086 11.823 -7.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -0.164 11.686 -8.644 1.00 0.00 H new ATOM 745 N GLY A 49 -0.445 6.200 -8.135 1.00 0.00 N ATOM 746 CA GLY A 49 -0.305 5.579 -9.439 1.00 0.00 C ATOM 747 C GLY A 49 0.812 4.555 -9.476 1.00 0.00 C ATOM 748 O GLY A 49 1.567 4.485 -10.446 1.00 0.00 O ATOM 0 H GLY A 49 -1.387 6.522 -7.912 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -1.244 5.098 -9.712 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -0.113 6.349 -10.186 1.00 0.00 H new ATOM 752 N ARG A 50 0.919 3.760 -8.417 1.00 0.00 N ATOM 753 CA ARG A 50 1.954 2.736 -8.331 1.00 0.00 C ATOM 754 C ARG A 50 1.459 1.528 -7.541 1.00 0.00 C ATOM 755 O ARG A 50 0.516 1.629 -6.756 1.00 0.00 O ATOM 756 CB ARG A 50 3.213 3.307 -7.675 1.00 0.00 C ATOM 757 CG ARG A 50 4.005 4.235 -8.582 1.00 0.00 C ATOM 758 CD ARG A 50 5.061 5.005 -7.806 1.00 0.00 C ATOM 759 NE ARG A 50 6.062 4.119 -7.217 1.00 0.00 N ATOM 760 CZ ARG A 50 7.165 4.552 -6.617 1.00 0.00 C ATOM 761 NH1 ARG A 50 7.408 5.852 -6.527 1.00 0.00 N ATOM 762 NH2 ARG A 50 8.028 3.684 -6.105 1.00 0.00 N ATOM 0 H ARG A 50 0.302 3.805 -7.606 1.00 0.00 H new ATOM 0 HA ARG A 50 2.195 2.412 -9.344 1.00 0.00 H new ATOM 0 HB2 ARG A 50 2.929 3.850 -6.773 1.00 0.00 H new ATOM 0 HB3 ARG A 50 3.855 2.483 -7.362 1.00 0.00 H new ATOM 0 HG2 ARG A 50 4.483 3.654 -9.371 1.00 0.00 H new ATOM 0 HG3 ARG A 50 3.327 4.936 -9.069 1.00 0.00 H new ATOM 0 HD2 ARG A 50 5.552 5.716 -8.470 1.00 0.00 H new ATOM 0 HD3 ARG A 50 4.581 5.584 -7.017 1.00 0.00 H new ATOM 0 HE ARG A 50 5.905 3.112 -7.269 1.00 0.00 H new ATOM 0 HH11 ARG A 50 6.747 6.523 -6.919 1.00 0.00 H new ATOM 0 HH12 ARG A 50 8.256 6.182 -6.066 1.00 0.00 H new ATOM 0 HH21 ARG A 50 7.845 2.683 -6.172 1.00 0.00 H new ATOM 0 HH22 ARG A 50 8.875 4.018 -5.645 1.00 0.00 H new ATOM 776 N THR A 51 2.103 0.384 -7.754 1.00 0.00 N ATOM 777 CA THR A 51 1.728 -0.844 -7.064 1.00 0.00 C ATOM 778 C THR A 51 2.961 -1.612 -6.602 1.00 0.00 C ATOM 779 O THR A 51 3.679 -2.198 -7.411 1.00 0.00 O ATOM 780 CB THR A 51 0.876 -1.757 -7.966 1.00 0.00 C ATOM 781 OG1 THR A 51 -0.050 -0.970 -8.724 1.00 0.00 O ATOM 782 CG2 THR A 51 0.118 -2.782 -7.135 1.00 0.00 C ATOM 0 H THR A 51 2.887 0.283 -8.399 1.00 0.00 H new ATOM 0 HA THR A 51 1.138 -0.552 -6.195 1.00 0.00 H new ATOM 0 HB THR A 51 1.544 -2.286 -8.646 1.00 0.00 H new ATOM 0 HG1 THR A 51 -0.901 -0.911 -8.241 1.00 0.00 H new ATOM 0 HG21 THR A 51 -0.477 -3.416 -7.793 1.00 0.00 H new ATOM 0 HG22 THR A 51 0.827 -3.398 -6.582 1.00 0.00 H new ATOM 0 HG23 THR A 51 -0.540 -2.268 -6.434 1.00 0.00 H new ATOM 790 N GLY A 52 3.200 -1.607 -5.294 1.00 0.00 N ATOM 791 CA GLY A 52 4.346 -2.309 -4.746 1.00 0.00 C ATOM 792 C GLY A 52 4.114 -2.777 -3.323 1.00 0.00 C ATOM 793 O GLY A 52 3.003 -2.677 -2.802 1.00 0.00 O ATOM 0 H GLY A 52 2.620 -1.129 -4.604 1.00 0.00 H new ATOM 0 HA2 GLY A 52 4.576 -3.169 -5.375 1.00 0.00 H new ATOM 0 HA3 GLY A 52 5.216 -1.653 -4.772 1.00 0.00 H new ATOM 797 N LEU A 53 5.165 -3.290 -2.693 1.00 0.00 N ATOM 798 CA LEU A 53 5.070 -3.778 -1.321 1.00 0.00 C ATOM 799 C LEU A 53 5.062 -2.618 -0.330 1.00 0.00 C ATOM 800 O LEU A 53 5.674 -1.577 -0.573 1.00 0.00 O ATOM 801 CB LEU A 53 6.236 -4.719 -1.012 1.00 0.00 C ATOM 802 CG LEU A 53 6.136 -6.127 -1.601 1.00 0.00 C ATOM 803 CD1 LEU A 53 7.395 -6.923 -1.296 1.00 0.00 C ATOM 804 CD2 LEU A 53 4.906 -6.844 -1.062 1.00 0.00 C ATOM 0 H LEU A 53 6.092 -3.379 -3.109 1.00 0.00 H new ATOM 0 HA LEU A 53 4.133 -4.325 -1.220 1.00 0.00 H new ATOM 0 HB2 LEU A 53 7.155 -4.259 -1.376 1.00 0.00 H new ATOM 0 HB3 LEU A 53 6.330 -4.805 0.070 1.00 0.00 H new ATOM 0 HG LEU A 53 6.038 -6.042 -2.683 1.00 0.00 H new ATOM 0 HD11 LEU A 53 7.306 -7.922 -1.723 1.00 0.00 H new ATOM 0 HD12 LEU A 53 8.258 -6.419 -1.730 1.00 0.00 H new ATOM 0 HD13 LEU A 53 7.524 -7.000 -0.216 1.00 0.00 H new ATOM 0 HD21 LEU A 53 4.851 -7.844 -1.492 1.00 0.00 H new ATOM 0 HD22 LEU A 53 4.975 -6.918 0.023 1.00 0.00 H new ATOM 0 HD23 LEU A 53 4.011 -6.283 -1.331 1.00 0.00 H new ATOM 816 N ILE A 54 4.368 -2.806 0.786 1.00 0.00 N ATOM 817 CA ILE A 54 4.283 -1.776 1.815 1.00 0.00 C ATOM 818 C ILE A 54 4.427 -2.379 3.209 1.00 0.00 C ATOM 819 O ILE A 54 3.841 -3.413 3.529 1.00 0.00 O ATOM 820 CB ILE A 54 2.950 -1.009 1.735 1.00 0.00 C ATOM 821 CG1 ILE A 54 2.614 -0.677 0.280 1.00 0.00 C ATOM 822 CG2 ILE A 54 3.020 0.261 2.571 1.00 0.00 C ATOM 823 CD1 ILE A 54 1.166 -0.298 0.066 1.00 0.00 C ATOM 0 H ILE A 54 3.856 -3.661 1.002 1.00 0.00 H new ATOM 0 HA ILE A 54 5.104 -1.081 1.635 1.00 0.00 H new ATOM 0 HB ILE A 54 2.158 -1.642 2.135 1.00 0.00 H new ATOM 0 HG12 ILE A 54 3.249 0.144 -0.053 1.00 0.00 H new ATOM 0 HG13 ILE A 54 2.852 -1.538 -0.345 1.00 0.00 H new ATOM 0 HG21 ILE A 54 2.071 0.793 2.505 1.00 0.00 H new ATOM 0 HG22 ILE A 54 3.219 0.002 3.611 1.00 0.00 H new ATOM 0 HG23 ILE A 54 3.820 0.899 2.197 1.00 0.00 H new ATOM 0 HD11 ILE A 54 1.000 -0.076 -0.988 1.00 0.00 H new ATOM 0 HD12 ILE A 54 0.525 -1.126 0.368 1.00 0.00 H new ATOM 0 HD13 ILE A 54 0.928 0.582 0.664 1.00 0.00 H new ATOM 835 N PRO A 55 5.225 -1.716 4.060 1.00 0.00 N ATOM 836 CA PRO A 55 5.463 -2.167 5.434 1.00 0.00 C ATOM 837 C PRO A 55 4.229 -2.012 6.317 1.00 0.00 C ATOM 838 O PRO A 55 3.574 -0.970 6.307 1.00 0.00 O ATOM 839 CB PRO A 55 6.586 -1.247 5.919 1.00 0.00 C ATOM 840 CG PRO A 55 6.454 -0.017 5.088 1.00 0.00 C ATOM 841 CD PRO A 55 5.955 -0.477 3.746 1.00 0.00 C ATOM 0 HA PRO A 55 5.712 -3.227 5.478 1.00 0.00 H new ATOM 0 HB2 PRO A 55 6.482 -1.021 6.980 1.00 0.00 H new ATOM 0 HB3 PRO A 55 7.563 -1.711 5.786 1.00 0.00 H new ATOM 0 HG2 PRO A 55 5.758 0.688 5.542 1.00 0.00 H new ATOM 0 HG3 PRO A 55 7.411 0.495 4.994 1.00 0.00 H new ATOM 0 HD2 PRO A 55 5.305 0.266 3.283 1.00 0.00 H new ATOM 0 HD3 PRO A 55 6.776 -0.659 3.053 1.00 0.00 H new ATOM 849 N SER A 56 3.918 -3.056 7.079 1.00 0.00 N ATOM 850 CA SER A 56 2.760 -3.037 7.965 1.00 0.00 C ATOM 851 C SER A 56 3.106 -2.378 9.297 1.00 0.00 C ATOM 852 O SER A 56 2.488 -2.663 10.322 1.00 0.00 O ATOM 853 CB SER A 56 2.251 -4.459 8.204 1.00 0.00 C ATOM 854 OG SER A 56 3.088 -5.155 9.111 1.00 0.00 O ATOM 0 H SER A 56 4.452 -3.925 7.101 1.00 0.00 H new ATOM 0 HA SER A 56 1.975 -2.454 7.484 1.00 0.00 H new ATOM 0 HB2 SER A 56 1.235 -4.424 8.596 1.00 0.00 H new ATOM 0 HB3 SER A 56 2.209 -4.997 7.257 1.00 0.00 H new ATOM 0 HG SER A 56 3.233 -6.068 8.787 1.00 0.00 H new ATOM 860 N ASN A 57 4.100 -1.496 9.274 1.00 0.00 N ATOM 861 CA ASN A 57 4.531 -0.797 10.479 1.00 0.00 C ATOM 862 C ASN A 57 4.389 0.713 10.311 1.00 0.00 C ATOM 863 O ASN A 57 4.103 1.431 11.270 1.00 0.00 O ATOM 864 CB ASN A 57 5.982 -1.151 10.808 1.00 0.00 C ATOM 865 CG ASN A 57 6.100 -2.459 11.566 1.00 0.00 C ATOM 866 OD1 ASN A 57 5.381 -2.695 12.536 1.00 0.00 O ATOM 867 ND2 ASN A 57 7.012 -3.318 11.124 1.00 0.00 N ATOM 0 H ASN A 57 4.622 -1.248 8.434 1.00 0.00 H new ATOM 0 HA ASN A 57 3.892 -1.115 11.302 1.00 0.00 H new ATOM 0 HB2 ASN A 57 6.556 -1.217 9.884 1.00 0.00 H new ATOM 0 HB3 ASN A 57 6.423 -0.350 11.401 1.00 0.00 H new ATOM 0 HD21 ASN A 57 7.137 -4.215 11.593 1.00 0.00 H new ATOM 0 HD22 ASN A 57 7.587 -3.081 10.315 1.00 0.00 H new ATOM 874 N TYR A 58 4.591 1.189 9.087 1.00 0.00 N ATOM 875 CA TYR A 58 4.488 2.613 8.794 1.00 0.00 C ATOM 876 C TYR A 58 3.030 3.034 8.641 1.00 0.00 C ATOM 877 O TYR A 58 2.644 4.134 9.036 1.00 0.00 O ATOM 878 CB TYR A 58 5.264 2.950 7.520 1.00 0.00 C ATOM 879 CG TYR A 58 6.711 3.310 7.769 1.00 0.00 C ATOM 880 CD1 TYR A 58 7.683 2.323 7.883 1.00 0.00 C ATOM 881 CD2 TYR A 58 7.107 4.636 7.890 1.00 0.00 C ATOM 882 CE1 TYR A 58 9.006 2.648 8.111 1.00 0.00 C ATOM 883 CE2 TYR A 58 8.428 4.970 8.117 1.00 0.00 C ATOM 884 CZ TYR A 58 9.374 3.972 8.228 1.00 0.00 C ATOM 885 OH TYR A 58 10.691 4.299 8.454 1.00 0.00 O ATOM 0 H TYR A 58 4.827 0.609 8.282 1.00 0.00 H new ATOM 0 HA TYR A 58 4.920 3.162 9.631 1.00 0.00 H new ATOM 0 HB2 TYR A 58 5.222 2.097 6.843 1.00 0.00 H new ATOM 0 HB3 TYR A 58 4.773 3.782 7.015 1.00 0.00 H new ATOM 0 HD1 TYR A 58 7.399 1.285 7.792 1.00 0.00 H new ATOM 0 HD2 TYR A 58 6.369 5.420 7.805 1.00 0.00 H new ATOM 0 HE1 TYR A 58 9.749 1.869 8.197 1.00 0.00 H new ATOM 0 HE2 TYR A 58 8.719 6.006 8.207 1.00 0.00 H new ATOM 0 HH TYR A 58 10.781 5.273 8.510 1.00 0.00 H new ATOM 895 N VAL A 59 2.222 2.148 8.065 1.00 0.00 N ATOM 896 CA VAL A 59 0.806 2.425 7.861 1.00 0.00 C ATOM 897 C VAL A 59 -0.043 1.777 8.949 1.00 0.00 C ATOM 898 O VAL A 59 0.442 0.948 9.718 1.00 0.00 O ATOM 899 CB VAL A 59 0.328 1.922 6.485 1.00 0.00 C ATOM 900 CG1 VAL A 59 1.208 2.482 5.378 1.00 0.00 C ATOM 901 CG2 VAL A 59 0.315 0.402 6.450 1.00 0.00 C ATOM 0 H VAL A 59 2.525 1.233 7.732 1.00 0.00 H new ATOM 0 HA VAL A 59 0.686 3.507 7.906 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.690 2.275 6.321 1.00 0.00 H new ATOM 0 HG11 VAL A 59 0.856 2.116 4.413 1.00 0.00 H new ATOM 0 HG12 VAL A 59 1.162 3.571 5.392 1.00 0.00 H new ATOM 0 HG13 VAL A 59 2.238 2.160 5.534 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -0.025 0.063 5.471 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.321 0.025 6.635 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -0.360 0.026 7.219 1.00 0.00 H new ATOM 911 N ALA A 60 -1.314 2.161 9.007 1.00 0.00 N ATOM 912 CA ALA A 60 -2.233 1.616 9.999 1.00 0.00 C ATOM 913 C ALA A 60 -3.680 1.745 9.538 1.00 0.00 C ATOM 914 O ALA A 60 -4.048 2.722 8.886 1.00 0.00 O ATOM 915 CB ALA A 60 -2.039 2.314 11.337 1.00 0.00 C ATOM 0 H ALA A 60 -1.731 2.848 8.378 1.00 0.00 H new ATOM 0 HA ALA A 60 -2.012 0.555 10.119 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.731 1.897 12.068 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.015 2.165 11.680 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -2.231 3.381 11.222 1.00 0.00 H new ATOM 921 N GLU A 61 -4.496 0.753 9.879 1.00 0.00 N ATOM 922 CA GLU A 61 -5.904 0.757 9.497 1.00 0.00 C ATOM 923 C GLU A 61 -6.558 2.091 9.846 1.00 0.00 C ATOM 924 O GLU A 61 -6.830 2.374 11.012 1.00 0.00 O ATOM 925 CB GLU A 61 -6.647 -0.385 10.193 1.00 0.00 C ATOM 926 CG GLU A 61 -7.999 -0.698 9.574 1.00 0.00 C ATOM 927 CD GLU A 61 -8.686 -1.875 10.238 1.00 0.00 C ATOM 928 OE1 GLU A 61 -8.978 -1.784 11.449 1.00 0.00 O ATOM 929 OE2 GLU A 61 -8.933 -2.886 9.548 1.00 0.00 O ATOM 0 H GLU A 61 -4.207 -0.063 10.418 1.00 0.00 H new ATOM 0 HA GLU A 61 -5.962 0.614 8.418 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -6.027 -1.281 10.164 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -6.788 -0.129 11.243 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -8.640 0.181 9.647 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -7.868 -0.910 8.513 1.00 0.00 H new ATOM 936 N GLN A 62 -6.807 2.906 8.825 1.00 0.00 N ATOM 937 CA GLN A 62 -7.428 4.210 9.024 1.00 0.00 C ATOM 938 C GLN A 62 -8.589 4.116 10.008 1.00 0.00 C ATOM 939 O GLN A 62 -9.532 3.352 9.800 1.00 0.00 O ATOM 940 CB GLN A 62 -7.919 4.772 7.689 1.00 0.00 C ATOM 941 CG GLN A 62 -6.868 5.578 6.944 1.00 0.00 C ATOM 942 CD GLN A 62 -6.717 6.985 7.487 1.00 0.00 C ATOM 943 OE1 GLN A 62 -6.286 7.181 8.624 1.00 0.00 O ATOM 944 NE2 GLN A 62 -7.071 7.975 6.676 1.00 0.00 N ATOM 0 H GLN A 62 -6.588 2.686 7.853 1.00 0.00 H new ATOM 0 HA GLN A 62 -6.678 4.883 9.440 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -8.248 3.948 7.056 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -8.789 5.403 7.868 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -5.909 5.064 7.007 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -7.134 5.627 5.888 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -7.423 7.768 5.742 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -6.991 8.943 6.987 1.00 0.00 H new ATOM 953 N SER A 63 -8.513 4.897 11.081 1.00 0.00 N ATOM 954 CA SER A 63 -9.556 4.899 12.100 1.00 0.00 C ATOM 955 C SER A 63 -9.741 6.296 12.685 1.00 0.00 C ATOM 956 O SER A 63 -8.841 6.837 13.326 1.00 0.00 O ATOM 957 CB SER A 63 -9.212 3.908 13.214 1.00 0.00 C ATOM 958 OG SER A 63 -10.058 4.090 14.336 1.00 0.00 O ATOM 0 H SER A 63 -7.740 5.536 11.267 1.00 0.00 H new ATOM 0 HA SER A 63 -10.491 4.595 11.629 1.00 0.00 H new ATOM 0 HB2 SER A 63 -9.311 2.888 12.842 1.00 0.00 H new ATOM 0 HB3 SER A 63 -8.172 4.039 13.513 1.00 0.00 H new ATOM 0 HG SER A 63 -9.820 3.444 15.034 1.00 0.00 H new ATOM 964 N GLY A 64 -10.917 6.875 12.460 1.00 0.00 N ATOM 965 CA GLY A 64 -11.200 8.203 12.971 1.00 0.00 C ATOM 966 C GLY A 64 -12.649 8.603 12.776 1.00 0.00 C ATOM 967 O GLY A 64 -13.003 9.285 11.814 1.00 0.00 O ATOM 0 H GLY A 64 -11.678 6.448 11.933 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -10.956 8.240 14.033 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -10.556 8.926 12.471 1.00 0.00 H new ATOM 971 N PRO A 65 -13.516 8.171 13.704 1.00 0.00 N ATOM 972 CA PRO A 65 -14.949 8.475 13.651 1.00 0.00 C ATOM 973 C PRO A 65 -15.240 9.947 13.923 1.00 0.00 C ATOM 974 O PRO A 65 -15.401 10.355 15.073 1.00 0.00 O ATOM 975 CB PRO A 65 -15.539 7.599 14.759 1.00 0.00 C ATOM 976 CG PRO A 65 -14.414 7.386 15.712 1.00 0.00 C ATOM 977 CD PRO A 65 -13.164 7.353 14.877 1.00 0.00 C ATOM 0 HA PRO A 65 -15.371 8.280 12.665 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -16.382 8.090 15.245 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -15.906 6.653 14.362 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -14.370 8.188 16.449 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -14.540 6.454 16.263 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -12.311 7.767 15.414 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -12.898 6.335 14.592 1.00 0.00 H new ATOM 985 N SER A 66 -15.307 10.739 12.857 1.00 0.00 N ATOM 986 CA SER A 66 -15.576 12.166 12.982 1.00 0.00 C ATOM 987 C SER A 66 -17.077 12.441 12.966 1.00 0.00 C ATOM 988 O SER A 66 -17.853 11.672 12.399 1.00 0.00 O ATOM 989 CB SER A 66 -14.893 12.936 11.850 1.00 0.00 C ATOM 990 OG SER A 66 -13.485 12.780 11.904 1.00 0.00 O ATOM 0 H SER A 66 -15.179 10.416 11.898 1.00 0.00 H new ATOM 0 HA SER A 66 -15.173 12.504 13.937 1.00 0.00 H new ATOM 0 HB2 SER A 66 -15.265 12.581 10.889 1.00 0.00 H new ATOM 0 HB3 SER A 66 -15.148 13.993 11.920 1.00 0.00 H new ATOM 0 HG SER A 66 -13.072 13.280 11.169 1.00 0.00 H new ATOM 996 N SER A 67 -17.477 13.542 13.592 1.00 0.00 N ATOM 997 CA SER A 67 -18.885 13.917 13.653 1.00 0.00 C ATOM 998 C SER A 67 -19.101 15.314 13.079 1.00 0.00 C ATOM 999 O SER A 67 -19.952 15.517 12.214 1.00 0.00 O ATOM 1000 CB SER A 67 -19.386 13.864 15.098 1.00 0.00 C ATOM 1001 OG SER A 67 -20.674 14.444 15.212 1.00 0.00 O ATOM 0 H SER A 67 -16.847 14.190 14.064 1.00 0.00 H new ATOM 0 HA SER A 67 -19.452 13.205 13.053 1.00 0.00 H new ATOM 0 HB2 SER A 67 -19.418 12.829 15.437 1.00 0.00 H new ATOM 0 HB3 SER A 67 -18.687 14.391 15.748 1.00 0.00 H new ATOM 0 HG SER A 67 -20.973 14.397 16.144 1.00 0.00 H new ATOM 1007 N GLY A 68 -18.323 16.275 13.568 1.00 0.00 N ATOM 1008 CA GLY A 68 -18.443 17.641 13.093 1.00 0.00 C ATOM 1009 C GLY A 68 -18.175 17.764 11.607 1.00 0.00 C ATOM 1010 O GLY A 68 -17.112 17.370 11.127 1.00 0.00 O ATOM 0 H GLY A 68 -17.612 16.132 14.285 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -19.445 18.011 13.310 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -17.744 18.275 13.639 1.00 0.00 H new TER 1014 GLY A 68