USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 666 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 3 SER OG : rot 19:sc= 0.652 USER MOD Single : A 6 TYR OH : rot 165:sc= -0.452 USER MOD Single : A 10 GLN :FLIP amide:sc= -1.24 F(o=-5.3,f=-1.2) USER MOD Single : A 12 ASN : amide:sc= -1.27 K(o=-1.3,f=-3!) USER MOD Single : A 14 ASN : amide:sc= -0.362 K(o=-0.36,f=-2.7!) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= -0.721 K(o=-0.72,f=-1.4!) USER MOD Single : A 26 ASN : amide:sc= -0.581 K(o=-0.58,f=-2.7!) USER MOD Single : A 28 HIS : no HD1:sc= -0.255 X(o=-0.25,f=0.016) USER MOD Single : A 32 GLN : amide:sc= -0.469 K(o=-0.47,f=-1.6) USER MOD Single : A 33 HIS : no HD1:sc= -0.806 K(o=-0.81,f=-1.8) USER MOD Single : A 34 HIS : no HD1:sc= -0.23 X(o=-0.23,f=-0.031) USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 160:sc= -0.13 (180deg=-0.904) USER MOD Single : A 52 THR OG1 : rot -130:sc= -2.48 USER MOD Single : A 56 ASN : amide:sc= 0.205 X(o=0.2,f=0) USER MOD Single : A 64 GLN :FLIP amide:sc= -0.439 F(o=-2.2,f=-0.44) USER MOD Single : A 66 MET CE :methyl -170:sc= 0 (180deg=-0.058) USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.365 USER MOD Single : A 76 ASN : amide:sc= -0.463 K(o=-0.46,f=-3.9!) USER MOD ----------------------------------------------------------------- ATOM 31 N SER A 3 2.247 16.335 -2.303 1.00 0.00 N ATOM 32 CA SER A 3 3.095 15.139 -2.035 1.00 0.00 C ATOM 33 C SER A 3 2.195 13.940 -1.730 1.00 0.00 C ATOM 34 O SER A 3 1.673 13.815 -0.640 1.00 0.00 O ATOM 35 CB SER A 3 4.000 15.418 -0.834 1.00 0.00 C ATOM 36 OG SER A 3 4.349 16.797 -0.820 1.00 0.00 O ATOM 0 HA SER A 3 3.709 14.921 -2.909 1.00 0.00 H new ATOM 0 HB2 SER A 3 3.489 15.151 0.091 1.00 0.00 H new ATOM 0 HB3 SER A 3 4.899 14.804 -0.891 1.00 0.00 H new ATOM 0 HG SER A 3 3.711 17.301 -1.367 1.00 0.00 H new ATOM 42 N LEU A 4 1.983 13.061 -2.680 1.00 0.00 N ATOM 43 CA LEU A 4 1.090 11.907 -2.403 1.00 0.00 C ATOM 44 C LEU A 4 1.588 10.617 -3.063 1.00 0.00 C ATOM 45 O LEU A 4 2.372 10.618 -3.989 1.00 0.00 O ATOM 46 CB LEU A 4 -0.317 12.220 -2.913 1.00 0.00 C ATOM 47 CG LEU A 4 -0.243 13.061 -4.191 1.00 0.00 C ATOM 48 CD1 LEU A 4 0.019 12.146 -5.388 1.00 0.00 C ATOM 49 CD2 LEU A 4 -1.572 13.793 -4.393 1.00 0.00 C ATOM 0 H LEU A 4 2.384 13.096 -3.617 1.00 0.00 H new ATOM 0 HA LEU A 4 1.083 11.748 -1.325 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -0.855 11.293 -3.110 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -0.878 12.757 -2.148 1.00 0.00 H new ATOM 0 HG LEU A 4 0.565 13.787 -4.104 1.00 0.00 H new ATOM 0 HD11 LEU A 4 0.072 12.744 -6.298 1.00 0.00 H new ATOM 0 HD12 LEU A 4 0.963 11.620 -5.244 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -0.791 11.421 -5.476 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -1.523 14.393 -5.302 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -2.378 13.065 -4.482 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -1.763 14.443 -3.539 1.00 0.00 H new ATOM 61 N VAL A 5 1.099 9.517 -2.563 1.00 0.00 N ATOM 62 CA VAL A 5 1.466 8.166 -3.081 1.00 0.00 C ATOM 63 C VAL A 5 0.218 7.565 -3.711 1.00 0.00 C ATOM 64 O VAL A 5 -0.821 8.190 -3.778 1.00 0.00 O ATOM 65 CB VAL A 5 1.946 7.329 -1.871 1.00 0.00 C ATOM 66 CG1 VAL A 5 1.279 5.947 -1.778 1.00 0.00 C ATOM 67 CG2 VAL A 5 3.455 7.142 -1.961 1.00 0.00 C ATOM 0 H VAL A 5 0.436 9.498 -1.788 1.00 0.00 H new ATOM 0 HA VAL A 5 2.258 8.198 -3.830 1.00 0.00 H new ATOM 0 HB VAL A 5 1.663 7.881 -0.975 1.00 0.00 H new ATOM 0 HG11 VAL A 5 1.663 5.416 -0.907 1.00 0.00 H new ATOM 0 HG12 VAL A 5 0.200 6.069 -1.682 1.00 0.00 H new ATOM 0 HG13 VAL A 5 1.501 5.375 -2.679 1.00 0.00 H new ATOM 0 HG21 VAL A 5 3.800 6.553 -1.111 1.00 0.00 H new ATOM 0 HG22 VAL A 5 3.703 6.623 -2.887 1.00 0.00 H new ATOM 0 HG23 VAL A 5 3.944 8.116 -1.949 1.00 0.00 H new ATOM 77 N TYR A 6 0.309 6.364 -4.162 1.00 0.00 N ATOM 78 CA TYR A 6 -0.866 5.718 -4.774 1.00 0.00 C ATOM 79 C TYR A 6 -0.652 4.211 -4.735 1.00 0.00 C ATOM 80 O TYR A 6 0.439 3.745 -4.875 1.00 0.00 O ATOM 81 CB TYR A 6 -1.010 6.216 -6.222 1.00 0.00 C ATOM 82 CG TYR A 6 -1.589 5.134 -7.101 1.00 0.00 C ATOM 83 CD1 TYR A 6 -2.781 4.503 -6.737 1.00 0.00 C ATOM 84 CD2 TYR A 6 -0.932 4.762 -8.276 1.00 0.00 C ATOM 85 CE1 TYR A 6 -3.319 3.500 -7.546 1.00 0.00 C ATOM 86 CE2 TYR A 6 -1.468 3.762 -9.089 1.00 0.00 C ATOM 87 CZ TYR A 6 -2.664 3.129 -8.724 1.00 0.00 C ATOM 88 OH TYR A 6 -3.194 2.140 -9.527 1.00 0.00 O ATOM 0 H TYR A 6 1.154 5.793 -4.134 1.00 0.00 H new ATOM 0 HA TYR A 6 -1.779 5.964 -4.232 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -1.653 7.096 -6.247 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -0.037 6.522 -6.606 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -3.288 4.792 -5.828 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -0.009 5.248 -8.556 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -4.240 3.012 -7.262 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -0.961 3.476 -9.999 1.00 0.00 H new ATOM 0 HH TYR A 6 -2.763 2.167 -10.407 1.00 0.00 H new ATOM 98 N ILE A 7 -1.675 3.443 -4.546 1.00 0.00 N ATOM 99 CA ILE A 7 -1.482 1.969 -4.528 1.00 0.00 C ATOM 100 C ILE A 7 -2.824 1.321 -4.783 1.00 0.00 C ATOM 101 O ILE A 7 -3.821 1.735 -4.232 1.00 0.00 O ATOM 102 CB ILE A 7 -0.973 1.532 -3.158 1.00 0.00 C ATOM 103 CG1 ILE A 7 -1.916 2.069 -2.083 1.00 0.00 C ATOM 104 CG2 ILE A 7 0.434 2.086 -2.928 1.00 0.00 C ATOM 105 CD1 ILE A 7 -1.263 1.911 -0.715 1.00 0.00 C ATOM 0 H ILE A 7 -2.633 3.764 -4.404 1.00 0.00 H new ATOM 0 HA ILE A 7 -0.758 1.676 -5.288 1.00 0.00 H new ATOM 0 HB ILE A 7 -0.939 0.444 -3.110 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -2.141 3.119 -2.272 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -2.863 1.530 -2.111 1.00 0.00 H new ATOM 0 HG21 ILE A 7 0.793 1.771 -1.948 1.00 0.00 H new ATOM 0 HG22 ILE A 7 1.105 1.707 -3.699 1.00 0.00 H new ATOM 0 HG23 ILE A 7 0.408 3.175 -2.972 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -1.934 2.293 0.055 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -1.060 0.856 -0.528 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -0.328 2.470 -0.692 1.00 0.00 H new ATOM 117 N ALA A 8 -2.890 0.309 -5.593 1.00 0.00 N ATOM 118 CA ALA A 8 -4.226 -0.297 -5.813 1.00 0.00 C ATOM 119 C ALA A 8 -4.129 -1.801 -5.682 1.00 0.00 C ATOM 120 O ALA A 8 -3.124 -2.391 -6.004 1.00 0.00 O ATOM 121 CB ALA A 8 -4.749 0.084 -7.194 1.00 0.00 C ATOM 0 H ALA A 8 -2.109 -0.113 -6.096 1.00 0.00 H new ATOM 0 HA ALA A 8 -4.922 0.079 -5.063 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -5.730 -0.365 -7.348 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -4.831 1.169 -7.266 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -4.060 -0.279 -7.957 1.00 0.00 H new ATOM 127 N PHE A 9 -5.158 -2.422 -5.186 1.00 0.00 N ATOM 128 CA PHE A 9 -5.123 -3.881 -5.011 1.00 0.00 C ATOM 129 C PHE A 9 -6.478 -4.467 -5.369 1.00 0.00 C ATOM 130 O PHE A 9 -7.434 -3.750 -5.546 1.00 0.00 O ATOM 131 CB PHE A 9 -4.826 -4.184 -3.551 1.00 0.00 C ATOM 132 CG PHE A 9 -6.029 -3.917 -2.683 1.00 0.00 C ATOM 133 CD1 PHE A 9 -7.062 -4.859 -2.633 1.00 0.00 C ATOM 134 CD2 PHE A 9 -6.102 -2.752 -1.915 1.00 0.00 C ATOM 135 CE1 PHE A 9 -8.172 -4.636 -1.816 1.00 0.00 C ATOM 136 CE2 PHE A 9 -7.212 -2.529 -1.094 1.00 0.00 C ATOM 137 CZ PHE A 9 -8.248 -3.470 -1.044 1.00 0.00 C ATOM 0 H PHE A 9 -6.025 -1.971 -4.894 1.00 0.00 H new ATOM 0 HA PHE A 9 -4.357 -4.314 -5.655 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -4.524 -5.226 -3.447 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -3.988 -3.574 -3.213 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -7.001 -5.759 -3.227 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -5.304 -2.026 -1.955 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -8.971 -5.362 -1.779 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -7.270 -1.630 -0.498 1.00 0.00 H new ATOM 0 HZ PHE A 9 -9.105 -3.297 -0.410 1.00 0.00 H new ATOM 147 N GLN A 10 -6.582 -5.761 -5.459 1.00 0.00 N ATOM 148 CA GLN A 10 -7.907 -6.349 -5.783 1.00 0.00 C ATOM 149 C GLN A 10 -8.345 -7.275 -4.625 1.00 0.00 C ATOM 150 O GLN A 10 -7.540 -7.943 -3.996 1.00 0.00 O ATOM 151 CB GLN A 10 -7.811 -7.089 -7.139 1.00 0.00 C ATOM 152 CG GLN A 10 -8.281 -8.541 -7.027 1.00 0.00 C ATOM 153 CD GLN A 10 -9.797 -8.601 -7.132 1.00 0.00 C ATOM 154 OE1 GLN A 10 -10.492 -7.535 -6.880 1.00 0.00 O flip ATOM 155 NE2 GLN A 10 -10.357 -9.632 -7.448 1.00 0.00 N flip ATOM 0 H GLN A 10 -5.821 -6.427 -5.325 1.00 0.00 H new ATOM 0 HA GLN A 10 -8.668 -5.576 -5.886 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -8.415 -6.567 -7.882 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -6.780 -7.067 -7.493 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -7.829 -9.141 -7.816 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -7.956 -8.966 -6.077 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -9.810 -10.470 -7.646 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -11.374 -9.660 -7.515 1.00 0.00 H new ATOM 164 N ASP A 11 -9.615 -7.298 -4.320 1.00 0.00 N ATOM 165 CA ASP A 11 -10.097 -8.157 -3.202 1.00 0.00 C ATOM 166 C ASP A 11 -10.889 -9.342 -3.758 1.00 0.00 C ATOM 167 O ASP A 11 -11.455 -9.276 -4.832 1.00 0.00 O ATOM 168 CB ASP A 11 -10.997 -7.331 -2.279 1.00 0.00 C ATOM 169 CG ASP A 11 -12.336 -7.065 -2.970 1.00 0.00 C ATOM 170 OD1 ASP A 11 -13.206 -7.916 -2.879 1.00 0.00 O ATOM 171 OD2 ASP A 11 -12.469 -6.015 -3.577 1.00 0.00 O ATOM 0 H ASP A 11 -10.338 -6.759 -4.797 1.00 0.00 H new ATOM 0 HA ASP A 11 -9.240 -8.531 -2.642 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -11.160 -7.863 -1.342 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -10.511 -6.388 -2.030 1.00 0.00 H new ATOM 176 N ASN A 12 -10.935 -10.425 -3.031 1.00 0.00 N ATOM 177 CA ASN A 12 -11.679 -11.611 -3.489 1.00 0.00 C ATOM 178 C ASN A 12 -13.124 -11.525 -2.999 1.00 0.00 C ATOM 179 O ASN A 12 -14.051 -11.898 -3.690 1.00 0.00 O ATOM 180 CB ASN A 12 -11.019 -12.864 -2.913 1.00 0.00 C ATOM 181 CG ASN A 12 -10.245 -12.553 -1.627 1.00 0.00 C ATOM 182 OD1 ASN A 12 -9.083 -12.200 -1.674 1.00 0.00 O ATOM 183 ND2 ASN A 12 -10.843 -12.670 -0.473 1.00 0.00 N ATOM 0 H ASN A 12 -10.478 -10.530 -2.125 1.00 0.00 H new ATOM 0 HA ASN A 12 -11.670 -11.656 -4.578 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -11.781 -13.616 -2.707 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -10.341 -13.292 -3.652 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -10.335 -12.465 0.388 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -11.818 -12.966 -0.432 1.00 0.00 H new ATOM 190 N ASP A 13 -13.313 -11.038 -1.808 1.00 0.00 N ATOM 191 CA ASP A 13 -14.686 -10.921 -1.242 1.00 0.00 C ATOM 192 C ASP A 13 -14.557 -10.588 0.241 1.00 0.00 C ATOM 193 O ASP A 13 -15.343 -9.850 0.800 1.00 0.00 O ATOM 194 CB ASP A 13 -15.429 -12.251 -1.411 1.00 0.00 C ATOM 195 CG ASP A 13 -16.733 -12.219 -0.613 1.00 0.00 C ATOM 196 OD1 ASP A 13 -17.200 -11.131 -0.320 1.00 0.00 O ATOM 197 OD2 ASP A 13 -17.244 -13.285 -0.310 1.00 0.00 O ATOM 0 H ASP A 13 -12.567 -10.712 -1.194 1.00 0.00 H new ATOM 0 HA ASP A 13 -15.245 -10.141 -1.759 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -15.641 -12.429 -2.465 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -14.802 -13.075 -1.069 1.00 0.00 H new ATOM 202 N ASN A 14 -13.550 -11.122 0.875 1.00 0.00 N ATOM 203 CA ASN A 14 -13.337 -10.838 2.324 1.00 0.00 C ATOM 204 C ASN A 14 -12.202 -9.822 2.468 1.00 0.00 C ATOM 205 O ASN A 14 -12.170 -9.027 3.391 1.00 0.00 O ATOM 206 CB ASN A 14 -12.963 -12.131 3.050 1.00 0.00 C ATOM 207 CG ASN A 14 -14.198 -12.692 3.758 1.00 0.00 C ATOM 208 OD1 ASN A 14 -15.093 -11.953 4.118 1.00 0.00 O ATOM 209 ND2 ASN A 14 -14.283 -13.975 3.976 1.00 0.00 N ATOM 0 H ASN A 14 -12.863 -11.745 0.451 1.00 0.00 H new ATOM 0 HA ASN A 14 -14.251 -10.435 2.760 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -12.575 -12.861 2.339 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -12.171 -11.939 3.774 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -15.101 -14.359 4.449 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -13.531 -14.595 3.673 1.00 0.00 H new ATOM 216 N ALA A 15 -11.271 -9.841 1.555 1.00 0.00 N ATOM 217 CA ALA A 15 -10.136 -8.880 1.623 1.00 0.00 C ATOM 218 C ALA A 15 -10.688 -7.461 1.752 1.00 0.00 C ATOM 219 O ALA A 15 -10.006 -6.555 2.190 1.00 0.00 O ATOM 220 CB ALA A 15 -9.296 -8.997 0.349 1.00 0.00 C ATOM 0 H ALA A 15 -11.248 -10.483 0.763 1.00 0.00 H new ATOM 0 HA ALA A 15 -9.510 -9.105 2.487 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -8.464 -8.294 0.396 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -8.909 -10.012 0.260 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -9.916 -8.768 -0.518 1.00 0.00 H new ATOM 226 N ARG A 16 -11.922 -7.263 1.380 1.00 0.00 N ATOM 227 CA ARG A 16 -12.526 -5.908 1.489 1.00 0.00 C ATOM 228 C ARG A 16 -12.615 -5.516 2.965 1.00 0.00 C ATOM 229 O ARG A 16 -12.101 -4.495 3.379 1.00 0.00 O ATOM 230 CB ARG A 16 -13.930 -5.930 0.885 1.00 0.00 C ATOM 231 CG ARG A 16 -13.835 -6.113 -0.630 1.00 0.00 C ATOM 232 CD ARG A 16 -14.861 -5.211 -1.318 1.00 0.00 C ATOM 233 NE ARG A 16 -16.199 -5.866 -1.296 1.00 0.00 N ATOM 234 CZ ARG A 16 -17.275 -5.167 -1.545 1.00 0.00 C ATOM 235 NH1 ARG A 16 -17.181 -3.892 -1.817 1.00 0.00 N ATOM 236 NH2 ARG A 16 -18.446 -5.743 -1.520 1.00 0.00 N ATOM 0 H ARG A 16 -12.539 -7.983 1.005 1.00 0.00 H new ATOM 0 HA ARG A 16 -11.910 -5.186 0.953 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -14.512 -6.740 1.323 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -14.451 -5.001 1.117 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -12.830 -5.868 -0.974 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -14.017 -7.155 -0.893 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -14.909 -4.247 -0.812 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -14.557 -5.017 -2.347 1.00 0.00 H new ATOM 0 HE ARG A 16 -16.275 -6.861 -1.086 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -16.267 -3.440 -1.835 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -18.022 -3.349 -2.011 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -18.521 -6.738 -1.306 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -19.286 -5.199 -1.714 1.00 0.00 H new ATOM 250 N TYR A 17 -13.262 -6.322 3.764 1.00 0.00 N ATOM 251 CA TYR A 17 -13.382 -5.997 5.213 1.00 0.00 C ATOM 252 C TYR A 17 -11.985 -5.826 5.808 1.00 0.00 C ATOM 253 O TYR A 17 -11.751 -4.954 6.621 1.00 0.00 O ATOM 254 CB TYR A 17 -14.113 -7.129 5.936 1.00 0.00 C ATOM 255 CG TYR A 17 -15.542 -6.717 6.198 1.00 0.00 C ATOM 256 CD1 TYR A 17 -16.211 -5.887 5.290 1.00 0.00 C ATOM 257 CD2 TYR A 17 -16.199 -7.169 7.347 1.00 0.00 C ATOM 258 CE1 TYR A 17 -17.537 -5.509 5.534 1.00 0.00 C ATOM 259 CE2 TYR A 17 -17.525 -6.793 7.591 1.00 0.00 C ATOM 260 CZ TYR A 17 -18.194 -5.963 6.683 1.00 0.00 C ATOM 261 OH TYR A 17 -19.502 -5.593 6.923 1.00 0.00 O ATOM 0 H TYR A 17 -13.712 -7.191 3.475 1.00 0.00 H new ATOM 0 HA TYR A 17 -13.946 -5.072 5.334 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -14.089 -8.036 5.332 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -13.611 -7.359 6.876 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -15.705 -5.539 4.402 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -15.682 -7.809 8.047 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -18.053 -4.867 4.835 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -18.032 -7.143 8.478 1.00 0.00 H new ATOM 0 HH TYR A 17 -19.807 -5.996 7.763 1.00 0.00 H new ATOM 271 N VAL A 18 -11.051 -6.644 5.406 1.00 0.00 N ATOM 272 CA VAL A 18 -9.671 -6.508 5.949 1.00 0.00 C ATOM 273 C VAL A 18 -9.178 -5.086 5.678 1.00 0.00 C ATOM 274 O VAL A 18 -8.689 -4.404 6.559 1.00 0.00 O ATOM 275 CB VAL A 18 -8.749 -7.517 5.260 1.00 0.00 C ATOM 276 CG1 VAL A 18 -7.308 -7.294 5.721 1.00 0.00 C ATOM 277 CG2 VAL A 18 -9.185 -8.936 5.629 1.00 0.00 C ATOM 0 H VAL A 18 -11.183 -7.396 4.729 1.00 0.00 H new ATOM 0 HA VAL A 18 -9.669 -6.702 7.022 1.00 0.00 H new ATOM 0 HB VAL A 18 -8.809 -7.384 4.180 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -6.653 -8.013 5.229 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -6.995 -6.282 5.462 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -7.247 -7.427 6.801 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -8.530 -9.657 5.140 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -9.124 -9.066 6.710 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -10.212 -9.098 5.301 1.00 0.00 H new ATOM 287 N VAL A 19 -9.320 -4.630 4.463 1.00 0.00 N ATOM 288 CA VAL A 19 -8.878 -3.250 4.124 1.00 0.00 C ATOM 289 C VAL A 19 -9.772 -2.246 4.848 1.00 0.00 C ATOM 290 O VAL A 19 -9.429 -1.093 5.004 1.00 0.00 O ATOM 291 CB VAL A 19 -9.007 -3.031 2.618 1.00 0.00 C ATOM 292 CG1 VAL A 19 -8.524 -1.624 2.264 1.00 0.00 C ATOM 293 CG2 VAL A 19 -8.158 -4.064 1.874 1.00 0.00 C ATOM 0 H VAL A 19 -9.725 -5.157 3.689 1.00 0.00 H new ATOM 0 HA VAL A 19 -7.840 -3.114 4.429 1.00 0.00 H new ATOM 0 HB VAL A 19 -10.051 -3.142 2.325 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -8.616 -1.467 1.189 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -9.131 -0.888 2.791 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -7.481 -1.513 2.559 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -8.251 -3.906 0.800 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -7.114 -3.956 2.167 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -8.503 -5.067 2.125 1.00 0.00 H new ATOM 303 N GLU A 20 -10.924 -2.675 5.278 1.00 0.00 N ATOM 304 CA GLU A 20 -11.850 -1.747 5.984 1.00 0.00 C ATOM 305 C GLU A 20 -11.361 -1.517 7.415 1.00 0.00 C ATOM 306 O GLU A 20 -11.467 -0.430 7.949 1.00 0.00 O ATOM 307 CB GLU A 20 -13.257 -2.351 6.009 1.00 0.00 C ATOM 308 CG GLU A 20 -14.236 -1.344 6.617 1.00 0.00 C ATOM 309 CD GLU A 20 -15.559 -2.043 6.938 1.00 0.00 C ATOM 310 OE1 GLU A 20 -15.904 -2.972 6.226 1.00 0.00 O ATOM 311 OE2 GLU A 20 -16.205 -1.637 7.890 1.00 0.00 O ATOM 0 H GLU A 20 -11.266 -3.630 5.171 1.00 0.00 H new ATOM 0 HA GLU A 20 -11.875 -0.792 5.458 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -13.570 -2.613 4.998 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -13.258 -3.272 6.592 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -13.812 -0.912 7.523 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -14.407 -0.522 5.922 1.00 0.00 H new ATOM 318 N ALA A 21 -10.824 -2.527 8.042 1.00 0.00 N ATOM 319 CA ALA A 21 -10.329 -2.352 9.436 1.00 0.00 C ATOM 320 C ALA A 21 -9.032 -1.543 9.414 1.00 0.00 C ATOM 321 O ALA A 21 -8.777 -0.737 10.287 1.00 0.00 O ATOM 322 CB ALA A 21 -10.069 -3.721 10.067 1.00 0.00 C ATOM 0 H ALA A 21 -10.707 -3.462 7.651 1.00 0.00 H new ATOM 0 HA ALA A 21 -11.079 -1.823 10.024 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -9.707 -3.589 11.087 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -10.995 -4.296 10.082 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -9.320 -4.255 9.482 1.00 0.00 H new ATOM 328 N ILE A 22 -8.212 -1.746 8.420 1.00 0.00 N ATOM 329 CA ILE A 22 -6.935 -0.982 8.345 1.00 0.00 C ATOM 330 C ILE A 22 -7.240 0.474 7.985 1.00 0.00 C ATOM 331 O ILE A 22 -6.766 1.397 8.621 1.00 0.00 O ATOM 332 CB ILE A 22 -6.032 -1.595 7.272 1.00 0.00 C ATOM 333 CG1 ILE A 22 -5.699 -3.041 7.649 1.00 0.00 C ATOM 334 CG2 ILE A 22 -4.737 -0.785 7.174 1.00 0.00 C ATOM 335 CD1 ILE A 22 -4.619 -3.577 6.708 1.00 0.00 C ATOM 0 H ILE A 22 -8.370 -2.406 7.658 1.00 0.00 H new ATOM 0 HA ILE A 22 -6.428 -1.023 9.309 1.00 0.00 H new ATOM 0 HB ILE A 22 -6.547 -1.579 6.311 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -5.353 -3.088 8.682 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -6.594 -3.660 7.584 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -4.093 -1.220 6.410 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -4.972 0.245 6.907 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -4.223 -0.803 8.135 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -4.381 -4.607 6.976 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -4.982 -3.544 5.681 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -3.723 -2.963 6.796 1.00 0.00 H new ATOM 347 N ILE A 23 -8.036 0.688 6.974 1.00 0.00 N ATOM 348 CA ILE A 23 -8.376 2.082 6.582 1.00 0.00 C ATOM 349 C ILE A 23 -9.011 2.791 7.775 1.00 0.00 C ATOM 350 O ILE A 23 -8.760 3.953 8.028 1.00 0.00 O ATOM 351 CB ILE A 23 -9.362 2.058 5.413 1.00 0.00 C ATOM 352 CG1 ILE A 23 -10.524 1.117 5.742 1.00 0.00 C ATOM 353 CG2 ILE A 23 -8.649 1.561 4.154 1.00 0.00 C ATOM 354 CD1 ILE A 23 -11.699 1.927 6.295 1.00 0.00 C ATOM 0 H ILE A 23 -8.464 -0.041 6.404 1.00 0.00 H new ATOM 0 HA ILE A 23 -7.473 2.612 6.277 1.00 0.00 H new ATOM 0 HB ILE A 23 -9.745 3.064 5.243 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -10.831 0.576 4.847 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -10.207 0.372 6.472 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -9.352 1.544 3.321 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -7.821 2.229 3.917 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -8.266 0.555 4.326 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -12.526 1.256 6.529 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -11.388 2.448 7.200 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -12.022 2.655 5.550 1.00 0.00 H new ATOM 366 N GLN A 24 -9.829 2.097 8.516 1.00 0.00 N ATOM 367 CA GLN A 24 -10.475 2.726 9.698 1.00 0.00 C ATOM 368 C GLN A 24 -9.395 3.128 10.701 1.00 0.00 C ATOM 369 O GLN A 24 -9.431 4.205 11.260 1.00 0.00 O ATOM 370 CB GLN A 24 -11.433 1.727 10.351 1.00 0.00 C ATOM 371 CG GLN A 24 -12.837 2.331 10.425 1.00 0.00 C ATOM 372 CD GLN A 24 -13.876 1.215 10.313 1.00 0.00 C ATOM 373 OE1 GLN A 24 -13.776 0.361 9.454 1.00 0.00 O ATOM 374 NE2 GLN A 24 -14.875 1.183 11.151 1.00 0.00 N ATOM 0 H GLN A 24 -10.077 1.121 8.353 1.00 0.00 H new ATOM 0 HA GLN A 24 -11.034 3.608 9.385 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -11.455 0.801 9.777 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -11.083 1.473 11.351 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -12.965 2.869 11.364 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -12.976 3.055 9.622 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -14.959 1.900 11.872 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -15.572 0.441 11.085 1.00 0.00 H new ATOM 383 N ASP A 25 -8.425 2.275 10.926 1.00 0.00 N ATOM 384 CA ASP A 25 -7.337 2.627 11.884 1.00 0.00 C ATOM 385 C ASP A 25 -6.908 4.064 11.603 1.00 0.00 C ATOM 386 O ASP A 25 -6.606 4.827 12.499 1.00 0.00 O ATOM 387 CB ASP A 25 -6.146 1.686 11.683 1.00 0.00 C ATOM 388 CG ASP A 25 -5.540 1.331 13.042 1.00 0.00 C ATOM 389 OD1 ASP A 25 -6.230 1.489 14.035 1.00 0.00 O ATOM 390 OD2 ASP A 25 -4.396 0.908 13.066 1.00 0.00 O ATOM 0 H ASP A 25 -8.342 1.357 10.490 1.00 0.00 H new ATOM 0 HA ASP A 25 -7.690 2.529 12.910 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -6.467 0.780 11.169 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -5.396 2.162 11.052 1.00 0.00 H new ATOM 395 N ASN A 26 -6.909 4.437 10.355 1.00 0.00 N ATOM 396 CA ASN A 26 -6.535 5.825 9.987 1.00 0.00 C ATOM 397 C ASN A 26 -7.752 6.495 9.352 1.00 0.00 C ATOM 398 O ASN A 26 -7.920 6.445 8.153 1.00 0.00 O ATOM 399 CB ASN A 26 -5.379 5.799 8.987 1.00 0.00 C ATOM 400 CG ASN A 26 -5.535 4.594 8.057 1.00 0.00 C ATOM 401 OD1 ASN A 26 -6.268 4.650 7.090 1.00 0.00 O ATOM 402 ND2 ASN A 26 -4.869 3.500 8.309 1.00 0.00 N ATOM 0 H ASN A 26 -7.155 3.834 9.570 1.00 0.00 H new ATOM 0 HA ASN A 26 -6.220 6.378 10.872 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -5.366 6.721 8.406 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -4.428 5.743 9.516 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -4.964 2.692 7.694 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -4.254 3.453 9.121 1.00 0.00 H new ATOM 409 N PRO A 27 -8.569 7.086 10.188 1.00 0.00 N ATOM 410 CA PRO A 27 -9.789 7.753 9.673 1.00 0.00 C ATOM 411 C PRO A 27 -9.411 8.955 8.806 1.00 0.00 C ATOM 412 O PRO A 27 -9.406 10.084 9.255 1.00 0.00 O ATOM 413 CB PRO A 27 -10.564 8.211 10.913 1.00 0.00 C ATOM 414 CG PRO A 27 -9.742 7.803 12.155 1.00 0.00 C ATOM 415 CD PRO A 27 -8.477 7.086 11.662 1.00 0.00 C ATOM 0 HA PRO A 27 -10.384 7.084 9.051 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -10.716 9.290 10.892 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -11.551 7.750 10.939 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -9.479 8.681 12.745 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -10.326 7.148 12.802 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -7.578 7.602 11.999 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -8.426 6.069 12.051 1.00 0.00 H new ATOM 423 N HIS A 28 -9.073 8.712 7.572 1.00 0.00 N ATOM 424 CA HIS A 28 -8.668 9.809 6.671 1.00 0.00 C ATOM 425 C HIS A 28 -8.315 9.224 5.304 1.00 0.00 C ATOM 426 O HIS A 28 -8.677 9.753 4.271 1.00 0.00 O ATOM 427 CB HIS A 28 -7.437 10.444 7.272 1.00 0.00 C ATOM 428 CG HIS A 28 -7.235 11.823 6.707 1.00 0.00 C ATOM 429 ND1 HIS A 28 -6.019 12.234 6.182 1.00 0.00 N ATOM 430 CD2 HIS A 28 -8.081 12.896 6.577 1.00 0.00 C ATOM 431 CE1 HIS A 28 -6.167 13.505 5.765 1.00 0.00 C ATOM 432 NE2 HIS A 28 -7.405 13.957 5.982 1.00 0.00 N ATOM 0 H HIS A 28 -9.062 7.784 7.149 1.00 0.00 H new ATOM 0 HA HIS A 28 -9.468 10.540 6.553 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -7.539 10.499 8.356 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -6.563 9.827 7.065 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -9.115 12.914 6.889 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -5.380 14.089 5.310 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -7.775 14.881 5.759 1.00 0.00 H new ATOM 440 N ALA A 29 -7.601 8.131 5.302 1.00 0.00 N ATOM 441 CA ALA A 29 -7.199 7.487 4.020 1.00 0.00 C ATOM 442 C ALA A 29 -8.363 7.526 3.027 1.00 0.00 C ATOM 443 O ALA A 29 -9.508 7.336 3.389 1.00 0.00 O ATOM 444 CB ALA A 29 -6.805 6.035 4.294 1.00 0.00 C ATOM 0 H ALA A 29 -7.276 7.653 6.142 1.00 0.00 H new ATOM 0 HA ALA A 29 -6.353 8.025 3.592 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -6.509 5.556 3.361 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -5.970 6.010 4.995 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -7.654 5.502 4.722 1.00 0.00 H new ATOM 450 N VAL A 30 -8.077 7.769 1.777 1.00 0.00 N ATOM 451 CA VAL A 30 -9.163 7.820 0.756 1.00 0.00 C ATOM 452 C VAL A 30 -9.251 6.471 0.038 1.00 0.00 C ATOM 453 O VAL A 30 -8.360 5.651 0.127 1.00 0.00 O ATOM 454 CB VAL A 30 -8.850 8.917 -0.262 1.00 0.00 C ATOM 455 CG1 VAL A 30 -7.438 8.711 -0.812 1.00 0.00 C ATOM 456 CG2 VAL A 30 -9.858 8.850 -1.413 1.00 0.00 C ATOM 0 H VAL A 30 -7.137 7.935 1.418 1.00 0.00 H new ATOM 0 HA VAL A 30 -10.113 8.035 1.245 1.00 0.00 H new ATOM 0 HB VAL A 30 -8.916 9.891 0.222 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -7.213 9.492 -1.538 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -6.719 8.757 0.006 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -7.375 7.736 -1.296 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -9.634 9.632 -2.138 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -9.792 7.876 -1.898 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -10.866 8.994 -1.023 1.00 0.00 H new ATOM 466 N VAL A 31 -10.317 6.238 -0.680 1.00 0.00 N ATOM 467 CA VAL A 31 -10.460 4.945 -1.408 1.00 0.00 C ATOM 468 C VAL A 31 -11.405 5.133 -2.597 1.00 0.00 C ATOM 469 O VAL A 31 -12.143 6.095 -2.673 1.00 0.00 O ATOM 470 CB VAL A 31 -11.025 3.881 -0.460 1.00 0.00 C ATOM 471 CG1 VAL A 31 -12.138 4.496 0.390 1.00 0.00 C ATOM 472 CG2 VAL A 31 -11.589 2.706 -1.267 1.00 0.00 C ATOM 0 H VAL A 31 -11.095 6.888 -0.794 1.00 0.00 H new ATOM 0 HA VAL A 31 -9.484 4.620 -1.770 1.00 0.00 H new ATOM 0 HB VAL A 31 -10.226 3.519 0.187 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -12.541 3.740 1.064 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -11.735 5.325 0.972 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -12.932 4.862 -0.260 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -11.988 1.955 -0.585 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -12.385 3.062 -1.921 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -10.795 2.264 -1.869 1.00 0.00 H new ATOM 482 N GLN A 32 -11.388 4.216 -3.524 1.00 0.00 N ATOM 483 CA GLN A 32 -12.285 4.336 -4.708 1.00 0.00 C ATOM 484 C GLN A 32 -12.175 3.078 -5.573 1.00 0.00 C ATOM 485 O GLN A 32 -11.110 2.516 -5.738 1.00 0.00 O ATOM 486 CB GLN A 32 -11.879 5.558 -5.532 1.00 0.00 C ATOM 487 CG GLN A 32 -12.843 5.720 -6.708 1.00 0.00 C ATOM 488 CD GLN A 32 -12.198 5.157 -7.975 1.00 0.00 C ATOM 489 OE1 GLN A 32 -12.708 4.228 -8.570 1.00 0.00 O ATOM 490 NE2 GLN A 32 -11.089 5.684 -8.417 1.00 0.00 N ATOM 0 H GLN A 32 -10.792 3.388 -3.513 1.00 0.00 H new ATOM 0 HA GLN A 32 -13.315 4.449 -4.369 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -11.894 6.452 -4.909 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -10.859 5.442 -5.897 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -13.778 5.199 -6.500 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -13.089 6.773 -6.849 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -10.661 6.464 -7.918 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -10.651 5.316 -9.261 1.00 0.00 H new ATOM 499 N HIS A 33 -13.271 2.630 -6.123 1.00 0.00 N ATOM 500 CA HIS A 33 -13.241 1.409 -6.975 1.00 0.00 C ATOM 501 C HIS A 33 -14.229 1.576 -8.132 1.00 0.00 C ATOM 502 O HIS A 33 -15.130 2.389 -8.076 1.00 0.00 O ATOM 503 CB HIS A 33 -13.646 0.195 -6.137 1.00 0.00 C ATOM 504 CG HIS A 33 -14.556 0.625 -5.017 1.00 0.00 C ATOM 505 ND1 HIS A 33 -14.068 1.042 -3.789 1.00 0.00 N ATOM 506 CD2 HIS A 33 -15.923 0.713 -4.927 1.00 0.00 C ATOM 507 CE1 HIS A 33 -15.125 1.359 -3.019 1.00 0.00 C ATOM 508 NE2 HIS A 33 -16.280 1.177 -3.664 1.00 0.00 N ATOM 0 H HIS A 33 -14.190 3.060 -6.018 1.00 0.00 H new ATOM 0 HA HIS A 33 -12.235 1.263 -7.369 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -14.150 -0.539 -6.765 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -12.758 -0.289 -5.730 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -16.616 0.461 -5.716 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -15.049 1.717 -2.003 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -17.221 1.342 -3.308 1.00 0.00 H new ATOM 516 N HIS A 34 -14.072 0.814 -9.181 1.00 0.00 N ATOM 517 CA HIS A 34 -15.011 0.939 -10.327 1.00 0.00 C ATOM 518 C HIS A 34 -15.004 -0.354 -11.150 1.00 0.00 C ATOM 519 O HIS A 34 -16.018 -1.011 -11.268 1.00 0.00 O ATOM 520 CB HIS A 34 -14.584 2.115 -11.202 1.00 0.00 C ATOM 521 CG HIS A 34 -15.527 3.267 -10.987 1.00 0.00 C ATOM 522 ND1 HIS A 34 -15.077 4.539 -10.671 1.00 0.00 N ATOM 523 CD2 HIS A 34 -16.897 3.354 -11.030 1.00 0.00 C ATOM 524 CE1 HIS A 34 -16.157 5.329 -10.536 1.00 0.00 C ATOM 525 NE2 HIS A 34 -17.292 4.657 -10.745 1.00 0.00 N ATOM 0 H HIS A 34 -13.338 0.115 -9.292 1.00 0.00 H new ATOM 0 HA HIS A 34 -16.020 1.112 -9.953 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -13.565 2.414 -10.956 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -14.585 1.821 -12.252 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -17.566 2.535 -11.251 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -16.112 6.379 -10.289 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -18.244 5.021 -10.704 1.00 0.00 H new ATOM 533 N PRO A 35 -13.859 -0.681 -11.693 1.00 0.00 N ATOM 534 CA PRO A 35 -13.791 -1.923 -12.498 1.00 0.00 C ATOM 535 C PRO A 35 -13.995 -3.145 -11.595 1.00 0.00 C ATOM 536 O PRO A 35 -14.849 -3.975 -11.837 1.00 0.00 O ATOM 537 CB PRO A 35 -12.387 -1.946 -13.112 1.00 0.00 C ATOM 538 CG PRO A 35 -11.625 -0.713 -12.583 1.00 0.00 C ATOM 539 CD PRO A 35 -12.592 0.085 -11.698 1.00 0.00 C ATOM 0 HA PRO A 35 -14.564 -1.950 -13.266 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -11.865 -2.864 -12.840 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -12.445 -1.922 -14.200 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -10.749 -1.020 -12.012 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -11.268 -0.100 -13.410 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -12.197 0.195 -10.688 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -12.744 1.090 -12.092 1.00 0.00 H new ATOM 547 N ALA A 36 -13.212 -3.260 -10.557 1.00 0.00 N ATOM 548 CA ALA A 36 -13.352 -4.424 -9.634 1.00 0.00 C ATOM 549 C ALA A 36 -12.355 -4.270 -8.485 1.00 0.00 C ATOM 550 O ALA A 36 -12.723 -4.258 -7.327 1.00 0.00 O ATOM 551 CB ALA A 36 -13.062 -5.718 -10.396 1.00 0.00 C ATOM 0 H ALA A 36 -12.479 -2.596 -10.307 1.00 0.00 H new ATOM 0 HA ALA A 36 -14.367 -4.462 -9.238 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -13.164 -6.568 -9.722 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -13.768 -5.821 -11.220 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -12.046 -5.688 -10.791 1.00 0.00 H new ATOM 557 N MET A 37 -11.095 -4.139 -8.798 1.00 0.00 N ATOM 558 CA MET A 37 -10.076 -3.970 -7.726 1.00 0.00 C ATOM 559 C MET A 37 -10.271 -2.599 -7.080 1.00 0.00 C ATOM 560 O MET A 37 -10.859 -1.711 -7.666 1.00 0.00 O ATOM 561 CB MET A 37 -8.675 -4.053 -8.338 1.00 0.00 C ATOM 562 CG MET A 37 -8.430 -2.826 -9.218 1.00 0.00 C ATOM 563 SD MET A 37 -7.691 -3.348 -10.785 1.00 0.00 S ATOM 564 CE MET A 37 -5.983 -3.462 -10.199 1.00 0.00 C ATOM 0 H MET A 37 -10.728 -4.142 -9.750 1.00 0.00 H new ATOM 0 HA MET A 37 -10.187 -4.754 -6.977 1.00 0.00 H new ATOM 0 HB2 MET A 37 -7.924 -4.104 -7.549 1.00 0.00 H new ATOM 0 HB3 MET A 37 -8.578 -4.963 -8.930 1.00 0.00 H new ATOM 0 HG2 MET A 37 -9.369 -2.304 -9.402 1.00 0.00 H new ATOM 0 HG3 MET A 37 -7.770 -2.125 -8.708 1.00 0.00 H new ATOM 0 HE1 MET A 37 -5.337 -3.776 -11.019 1.00 0.00 H new ATOM 0 HE2 MET A 37 -5.658 -2.488 -9.833 1.00 0.00 H new ATOM 0 HE3 MET A 37 -5.923 -4.191 -9.391 1.00 0.00 H new ATOM 574 N ILE A 38 -9.795 -2.409 -5.880 1.00 0.00 N ATOM 575 CA ILE A 38 -9.978 -1.084 -5.227 1.00 0.00 C ATOM 576 C ILE A 38 -8.629 -0.363 -5.125 1.00 0.00 C ATOM 577 O ILE A 38 -7.694 -0.855 -4.527 1.00 0.00 O ATOM 578 CB ILE A 38 -10.580 -1.281 -3.836 1.00 0.00 C ATOM 579 CG1 ILE A 38 -9.832 -2.399 -3.093 1.00 0.00 C ATOM 580 CG2 ILE A 38 -12.061 -1.648 -3.973 1.00 0.00 C ATOM 581 CD1 ILE A 38 -10.395 -3.777 -3.475 1.00 0.00 C ATOM 0 H ILE A 38 -9.293 -3.106 -5.329 1.00 0.00 H new ATOM 0 HA ILE A 38 -10.655 -0.474 -5.825 1.00 0.00 H new ATOM 0 HB ILE A 38 -10.485 -0.356 -3.267 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -8.770 -2.355 -3.334 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -9.921 -2.250 -2.017 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -12.494 -1.789 -2.983 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -12.589 -0.845 -4.488 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -12.156 -2.571 -4.545 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -9.851 -4.554 -2.938 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -11.451 -3.824 -3.211 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -10.282 -3.931 -4.548 1.00 0.00 H new ATOM 593 N ARG A 39 -8.522 0.800 -5.719 1.00 0.00 N ATOM 594 CA ARG A 39 -7.232 1.553 -5.673 1.00 0.00 C ATOM 595 C ARG A 39 -7.113 2.319 -4.352 1.00 0.00 C ATOM 596 O ARG A 39 -8.003 2.295 -3.526 1.00 0.00 O ATOM 597 CB ARG A 39 -7.175 2.540 -6.842 1.00 0.00 C ATOM 598 CG ARG A 39 -7.684 1.857 -8.113 1.00 0.00 C ATOM 599 CD ARG A 39 -6.806 2.263 -9.295 1.00 0.00 C ATOM 600 NE ARG A 39 -7.608 3.083 -10.256 1.00 0.00 N ATOM 601 CZ ARG A 39 -8.785 2.686 -10.671 1.00 0.00 C ATOM 602 NH1 ARG A 39 -9.217 1.480 -10.406 1.00 0.00 N ATOM 603 NH2 ARG A 39 -9.512 3.484 -11.405 1.00 0.00 N ATOM 0 H ARG A 39 -9.273 1.260 -6.234 1.00 0.00 H new ATOM 0 HA ARG A 39 -6.406 0.846 -5.748 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -7.782 3.418 -6.620 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -6.152 2.888 -6.988 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -7.667 0.774 -7.989 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -8.720 2.140 -8.301 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -5.946 2.833 -8.944 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -6.417 1.376 -9.794 1.00 0.00 H new ATOM 0 HE ARG A 39 -7.231 3.968 -10.594 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -8.635 0.836 -9.870 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -10.136 1.184 -10.735 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -9.162 4.410 -11.652 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -10.430 3.182 -11.732 1.00 0.00 H new ATOM 617 N ILE A 40 -6.010 2.995 -4.144 1.00 0.00 N ATOM 618 CA ILE A 40 -5.826 3.756 -2.878 1.00 0.00 C ATOM 619 C ILE A 40 -4.878 4.938 -3.119 1.00 0.00 C ATOM 620 O ILE A 40 -4.475 5.194 -4.232 1.00 0.00 O ATOM 621 CB ILE A 40 -5.219 2.836 -1.822 1.00 0.00 C ATOM 622 CG1 ILE A 40 -5.743 1.412 -2.014 1.00 0.00 C ATOM 623 CG2 ILE A 40 -5.599 3.336 -0.426 1.00 0.00 C ATOM 624 CD1 ILE A 40 -4.955 0.456 -1.117 1.00 0.00 C ATOM 0 H ILE A 40 -5.230 3.050 -4.799 1.00 0.00 H new ATOM 0 HA ILE A 40 -6.792 4.128 -2.536 1.00 0.00 H new ATOM 0 HB ILE A 40 -4.134 2.838 -1.926 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -6.804 1.367 -1.769 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -5.644 1.114 -3.058 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -5.165 2.678 0.327 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -5.219 4.348 -0.286 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -6.684 3.338 -0.323 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -5.327 -0.560 -1.252 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -3.899 0.494 -1.384 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -5.077 0.751 -0.075 1.00 0.00 H new ATOM 636 N GLU A 41 -4.513 5.664 -2.089 1.00 0.00 N ATOM 637 CA GLU A 41 -3.591 6.822 -2.297 1.00 0.00 C ATOM 638 C GLU A 41 -3.118 7.395 -0.959 1.00 0.00 C ATOM 639 O GLU A 41 -3.740 7.215 0.070 1.00 0.00 O ATOM 640 CB GLU A 41 -4.327 7.910 -3.082 1.00 0.00 C ATOM 641 CG GLU A 41 -3.603 8.172 -4.406 1.00 0.00 C ATOM 642 CD GLU A 41 -3.249 9.657 -4.510 1.00 0.00 C ATOM 643 OE1 GLU A 41 -2.708 10.186 -3.553 1.00 0.00 O ATOM 644 OE2 GLU A 41 -3.525 10.240 -5.546 1.00 0.00 O ATOM 0 H GLU A 41 -4.810 5.507 -1.126 1.00 0.00 H new ATOM 0 HA GLU A 41 -2.718 6.478 -2.851 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -5.355 7.601 -3.273 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -4.374 8.827 -2.495 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -2.698 7.567 -4.464 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -4.237 7.879 -5.243 1.00 0.00 H new ATOM 651 N ALA A 42 -2.012 8.094 -0.983 1.00 0.00 N ATOM 652 CA ALA A 42 -1.465 8.703 0.261 1.00 0.00 C ATOM 653 C ALA A 42 -1.161 10.182 -0.004 1.00 0.00 C ATOM 654 O ALA A 42 -1.451 10.701 -1.063 1.00 0.00 O ATOM 655 CB ALA A 42 -0.177 7.982 0.662 1.00 0.00 C ATOM 0 H ALA A 42 -1.460 8.269 -1.823 1.00 0.00 H new ATOM 0 HA ALA A 42 -2.193 8.612 1.067 1.00 0.00 H new ATOM 0 HB1 ALA A 42 0.222 8.429 1.573 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -0.390 6.928 0.839 1.00 0.00 H new ATOM 0 HB3 ALA A 42 0.556 8.075 -0.139 1.00 0.00 H new ATOM 661 N GLU A 43 -0.584 10.865 0.947 1.00 0.00 N ATOM 662 CA GLU A 43 -0.273 12.311 0.746 1.00 0.00 C ATOM 663 C GLU A 43 0.950 12.706 1.581 1.00 0.00 C ATOM 664 O GLU A 43 0.829 13.420 2.557 1.00 0.00 O ATOM 665 CB GLU A 43 -1.476 13.144 1.191 1.00 0.00 C ATOM 666 CG GLU A 43 -2.045 12.566 2.489 1.00 0.00 C ATOM 667 CD GLU A 43 -3.210 13.436 2.967 1.00 0.00 C ATOM 668 OE1 GLU A 43 -3.549 14.375 2.266 1.00 0.00 O ATOM 669 OE2 GLU A 43 -3.742 13.148 4.027 1.00 0.00 O ATOM 0 H GLU A 43 -0.314 10.485 1.854 1.00 0.00 H new ATOM 0 HA GLU A 43 -0.059 12.492 -0.307 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -1.177 14.181 1.342 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -2.240 13.142 0.414 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -2.384 11.543 2.326 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -1.269 12.527 3.253 1.00 0.00 H new ATOM 676 N LYS A 44 2.130 12.253 1.219 1.00 0.00 N ATOM 677 CA LYS A 44 3.333 12.618 2.019 1.00 0.00 C ATOM 678 C LYS A 44 4.542 11.842 1.497 1.00 0.00 C ATOM 679 O LYS A 44 4.678 11.618 0.311 1.00 0.00 O ATOM 680 CB LYS A 44 3.077 12.267 3.489 1.00 0.00 C ATOM 681 CG LYS A 44 3.582 13.401 4.381 1.00 0.00 C ATOM 682 CD LYS A 44 2.397 14.254 4.838 1.00 0.00 C ATOM 683 CE LYS A 44 2.814 15.112 6.034 1.00 0.00 C ATOM 684 NZ LYS A 44 4.236 15.531 5.871 1.00 0.00 N ATOM 0 H LYS A 44 2.305 11.653 0.413 1.00 0.00 H new ATOM 0 HA LYS A 44 3.532 13.686 1.931 1.00 0.00 H new ATOM 0 HB2 LYS A 44 2.012 12.107 3.655 1.00 0.00 H new ATOM 0 HB3 LYS A 44 3.583 11.336 3.745 1.00 0.00 H new ATOM 0 HG2 LYS A 44 4.105 12.993 5.246 1.00 0.00 H new ATOM 0 HG3 LYS A 44 4.298 14.016 3.836 1.00 0.00 H new ATOM 0 HD2 LYS A 44 2.058 14.891 4.021 1.00 0.00 H new ATOM 0 HD3 LYS A 44 1.559 13.613 5.112 1.00 0.00 H new ATOM 0 HE2 LYS A 44 2.171 15.989 6.108 1.00 0.00 H new ATOM 0 HE3 LYS A 44 2.693 14.549 6.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 4.424 16.361 6.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 4.862 14.751 6.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 4.414 15.774 4.876 1.00 0.00 H new ATOM 698 N ARG A 45 5.424 11.431 2.364 1.00 0.00 N ATOM 699 CA ARG A 45 6.615 10.676 1.896 1.00 0.00 C ATOM 700 C ARG A 45 6.709 9.358 2.656 1.00 0.00 C ATOM 701 O ARG A 45 6.204 9.227 3.753 1.00 0.00 O ATOM 702 CB ARG A 45 7.876 11.503 2.148 1.00 0.00 C ATOM 703 CG ARG A 45 7.785 12.819 1.374 1.00 0.00 C ATOM 704 CD ARG A 45 7.308 13.932 2.310 1.00 0.00 C ATOM 705 NE ARG A 45 7.598 15.257 1.691 1.00 0.00 N ATOM 706 CZ ARG A 45 7.029 16.338 2.155 1.00 0.00 C ATOM 707 NH1 ARG A 45 6.219 16.265 3.176 1.00 0.00 N ATOM 708 NH2 ARG A 45 7.273 17.494 1.599 1.00 0.00 N ATOM 0 H ARG A 45 5.371 11.585 3.371 1.00 0.00 H new ATOM 0 HA ARG A 45 6.522 10.475 0.829 1.00 0.00 H new ATOM 0 HB2 ARG A 45 7.986 11.702 3.214 1.00 0.00 H new ATOM 0 HB3 ARG A 45 8.759 10.945 1.835 1.00 0.00 H new ATOM 0 HG2 ARG A 45 8.758 13.074 0.955 1.00 0.00 H new ATOM 0 HG3 ARG A 45 7.095 12.713 0.537 1.00 0.00 H new ATOM 0 HD2 ARG A 45 6.239 13.832 2.497 1.00 0.00 H new ATOM 0 HD3 ARG A 45 7.809 13.851 3.274 1.00 0.00 H new ATOM 0 HE ARG A 45 8.243 15.320 0.903 1.00 0.00 H new ATOM 0 HH11 ARG A 45 6.029 15.363 3.613 1.00 0.00 H new ATOM 0 HH12 ARG A 45 5.776 17.110 3.537 1.00 0.00 H new ATOM 0 HH21 ARG A 45 7.908 17.553 0.803 1.00 0.00 H new ATOM 0 HH22 ARG A 45 6.829 18.338 1.961 1.00 0.00 H new ATOM 722 N LEU A 46 7.342 8.371 2.081 1.00 0.00 N ATOM 723 CA LEU A 46 7.445 7.069 2.779 1.00 0.00 C ATOM 724 C LEU A 46 8.798 6.419 2.470 1.00 0.00 C ATOM 725 O LEU A 46 9.239 6.378 1.331 1.00 0.00 O ATOM 726 CB LEU A 46 6.293 6.147 2.332 1.00 0.00 C ATOM 727 CG LEU A 46 5.209 6.963 1.600 1.00 0.00 C ATOM 728 CD1 LEU A 46 4.313 6.032 0.785 1.00 0.00 C ATOM 729 CD2 LEU A 46 4.366 7.719 2.618 1.00 0.00 C ATOM 0 H LEU A 46 7.788 8.414 1.164 1.00 0.00 H new ATOM 0 HA LEU A 46 7.371 7.229 3.855 1.00 0.00 H new ATOM 0 HB2 LEU A 46 6.677 5.367 1.675 1.00 0.00 H new ATOM 0 HB3 LEU A 46 5.859 5.649 3.199 1.00 0.00 H new ATOM 0 HG LEU A 46 5.691 7.672 0.927 1.00 0.00 H new ATOM 0 HD11 LEU A 46 3.551 6.618 0.272 1.00 0.00 H new ATOM 0 HD12 LEU A 46 4.916 5.498 0.050 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.832 5.315 1.451 1.00 0.00 H new ATOM 0 HD21 LEU A 46 3.600 8.296 2.100 1.00 0.00 H new ATOM 0 HD22 LEU A 46 3.890 7.010 3.295 1.00 0.00 H new ATOM 0 HD23 LEU A 46 5.004 8.394 3.189 1.00 0.00 H new ATOM 741 N GLU A 47 9.440 5.886 3.487 1.00 0.00 N ATOM 742 CA GLU A 47 10.765 5.207 3.314 1.00 0.00 C ATOM 743 C GLU A 47 10.899 4.126 4.392 1.00 0.00 C ATOM 744 O GLU A 47 10.591 4.351 5.546 1.00 0.00 O ATOM 745 CB GLU A 47 11.883 6.229 3.504 1.00 0.00 C ATOM 746 CG GLU A 47 11.464 7.259 4.557 1.00 0.00 C ATOM 747 CD GLU A 47 10.718 8.409 3.879 1.00 0.00 C ATOM 748 OE1 GLU A 47 11.367 9.200 3.214 1.00 0.00 O ATOM 749 OE2 GLU A 47 9.510 8.479 4.035 1.00 0.00 O ATOM 0 H GLU A 47 9.093 5.894 4.446 1.00 0.00 H new ATOM 0 HA GLU A 47 10.833 4.767 2.319 1.00 0.00 H new ATOM 0 HB2 GLU A 47 12.799 5.727 3.816 1.00 0.00 H new ATOM 0 HB3 GLU A 47 12.098 6.727 2.559 1.00 0.00 H new ATOM 0 HG2 GLU A 47 10.826 6.790 5.306 1.00 0.00 H new ATOM 0 HG3 GLU A 47 12.342 7.639 5.079 1.00 0.00 H new ATOM 756 N ILE A 48 11.356 2.954 4.032 1.00 0.00 N ATOM 757 CA ILE A 48 11.504 1.872 5.050 1.00 0.00 C ATOM 758 C ILE A 48 12.829 1.145 4.819 1.00 0.00 C ATOM 759 O ILE A 48 13.331 1.084 3.715 1.00 0.00 O ATOM 760 CB ILE A 48 10.358 0.863 4.927 1.00 0.00 C ATOM 761 CG1 ILE A 48 9.012 1.594 4.869 1.00 0.00 C ATOM 762 CG2 ILE A 48 10.371 -0.068 6.140 1.00 0.00 C ATOM 763 CD1 ILE A 48 8.227 1.119 3.645 1.00 0.00 C ATOM 0 H ILE A 48 11.631 2.701 3.083 1.00 0.00 H new ATOM 0 HA ILE A 48 11.483 2.318 6.044 1.00 0.00 H new ATOM 0 HB ILE A 48 10.491 0.286 4.012 1.00 0.00 H new ATOM 0 HG12 ILE A 48 8.442 1.401 5.778 1.00 0.00 H new ATOM 0 HG13 ILE A 48 9.173 2.671 4.816 1.00 0.00 H new ATOM 0 HG21 ILE A 48 9.556 -0.787 6.055 1.00 0.00 H new ATOM 0 HG22 ILE A 48 11.322 -0.600 6.181 1.00 0.00 H new ATOM 0 HG23 ILE A 48 10.244 0.518 7.050 1.00 0.00 H new ATOM 0 HD11 ILE A 48 7.270 1.638 3.603 1.00 0.00 H new ATOM 0 HD12 ILE A 48 8.797 1.335 2.741 1.00 0.00 H new ATOM 0 HD13 ILE A 48 8.054 0.045 3.718 1.00 0.00 H new ATOM 775 N ARG A 49 13.396 0.586 5.848 1.00 0.00 N ATOM 776 CA ARG A 49 14.685 -0.137 5.674 1.00 0.00 C ATOM 777 C ARG A 49 14.549 -1.122 4.512 1.00 0.00 C ATOM 778 O ARG A 49 13.487 -1.658 4.265 1.00 0.00 O ATOM 779 CB ARG A 49 15.027 -0.899 6.956 1.00 0.00 C ATOM 780 CG ARG A 49 16.547 -0.939 7.133 1.00 0.00 C ATOM 781 CD ARG A 49 16.908 -0.493 8.551 1.00 0.00 C ATOM 782 NE ARG A 49 18.136 0.351 8.510 1.00 0.00 N ATOM 783 CZ ARG A 49 18.464 1.082 9.542 1.00 0.00 C ATOM 784 NH1 ARG A 49 17.716 1.083 10.612 1.00 0.00 N ATOM 785 NH2 ARG A 49 19.544 1.813 9.503 1.00 0.00 N ATOM 0 H ARG A 49 13.026 0.597 6.798 1.00 0.00 H new ATOM 0 HA ARG A 49 15.481 0.577 5.462 1.00 0.00 H new ATOM 0 HB2 ARG A 49 14.562 -0.415 7.815 1.00 0.00 H new ATOM 0 HB3 ARG A 49 14.629 -1.912 6.907 1.00 0.00 H new ATOM 0 HG2 ARG A 49 16.918 -1.948 6.952 1.00 0.00 H new ATOM 0 HG3 ARG A 49 17.026 -0.287 6.402 1.00 0.00 H new ATOM 0 HD2 ARG A 49 16.082 0.069 8.988 1.00 0.00 H new ATOM 0 HD3 ARG A 49 17.073 -1.363 9.186 1.00 0.00 H new ATOM 0 HE ARG A 49 18.721 0.358 7.675 1.00 0.00 H new ATOM 0 HH11 ARG A 49 16.872 0.512 10.645 1.00 0.00 H new ATOM 0 HH12 ARG A 49 17.976 1.655 11.415 1.00 0.00 H new ATOM 0 HH21 ARG A 49 20.130 1.813 8.668 1.00 0.00 H new ATOM 0 HH22 ARG A 49 19.802 2.385 10.307 1.00 0.00 H new ATOM 799 N ARG A 50 15.608 -1.362 3.790 1.00 0.00 N ATOM 800 CA ARG A 50 15.521 -2.308 2.642 1.00 0.00 C ATOM 801 C ARG A 50 15.821 -3.730 3.121 1.00 0.00 C ATOM 802 O ARG A 50 15.001 -4.617 3.009 1.00 0.00 O ATOM 803 CB ARG A 50 16.537 -1.908 1.570 1.00 0.00 C ATOM 804 CG ARG A 50 16.645 -3.025 0.528 1.00 0.00 C ATOM 805 CD ARG A 50 17.916 -3.837 0.778 1.00 0.00 C ATOM 806 NE ARG A 50 18.679 -3.983 -0.501 1.00 0.00 N ATOM 807 CZ ARG A 50 18.086 -4.360 -1.605 1.00 0.00 C ATOM 808 NH1 ARG A 50 16.861 -4.817 -1.583 1.00 0.00 N ATOM 809 NH2 ARG A 50 18.746 -4.338 -2.731 1.00 0.00 N ATOM 0 H ARG A 50 16.527 -0.946 3.944 1.00 0.00 H new ATOM 0 HA ARG A 50 14.515 -2.272 2.223 1.00 0.00 H new ATOM 0 HB2 ARG A 50 16.230 -0.978 1.092 1.00 0.00 H new ATOM 0 HB3 ARG A 50 17.510 -1.726 2.026 1.00 0.00 H new ATOM 0 HG2 ARG A 50 15.770 -3.673 0.583 1.00 0.00 H new ATOM 0 HG3 ARG A 50 16.664 -2.600 -0.475 1.00 0.00 H new ATOM 0 HD2 ARG A 50 18.534 -3.342 1.527 1.00 0.00 H new ATOM 0 HD3 ARG A 50 17.660 -4.820 1.174 1.00 0.00 H new ATOM 0 HE ARG A 50 19.680 -3.785 -0.513 1.00 0.00 H new ATOM 0 HH11 ARG A 50 16.357 -4.883 -0.699 1.00 0.00 H new ATOM 0 HH12 ARG A 50 16.409 -5.108 -2.450 1.00 0.00 H new ATOM 0 HH21 ARG A 50 19.718 -4.028 -2.747 1.00 0.00 H new ATOM 0 HH22 ARG A 50 18.290 -4.631 -3.595 1.00 0.00 H new ATOM 823 N GLU A 51 16.992 -3.953 3.647 1.00 0.00 N ATOM 824 CA GLU A 51 17.349 -5.318 4.126 1.00 0.00 C ATOM 825 C GLU A 51 16.291 -5.812 5.116 1.00 0.00 C ATOM 826 O GLU A 51 15.847 -6.943 5.054 1.00 0.00 O ATOM 827 CB GLU A 51 18.711 -5.268 4.818 1.00 0.00 C ATOM 828 CG GLU A 51 19.060 -6.651 5.369 1.00 0.00 C ATOM 829 CD GLU A 51 20.069 -6.504 6.510 1.00 0.00 C ATOM 830 OE1 GLU A 51 19.773 -5.779 7.446 1.00 0.00 O ATOM 831 OE2 GLU A 51 21.119 -7.119 6.429 1.00 0.00 O ATOM 0 H GLU A 51 17.719 -3.248 3.766 1.00 0.00 H new ATOM 0 HA GLU A 51 17.392 -6.001 3.278 1.00 0.00 H new ATOM 0 HB2 GLU A 51 19.476 -4.943 4.113 1.00 0.00 H new ATOM 0 HB3 GLU A 51 18.692 -4.538 5.627 1.00 0.00 H new ATOM 0 HG2 GLU A 51 18.159 -7.150 5.727 1.00 0.00 H new ATOM 0 HG3 GLU A 51 19.477 -7.275 4.578 1.00 0.00 H new ATOM 838 N THR A 52 15.881 -4.979 6.030 1.00 0.00 N ATOM 839 CA THR A 52 14.855 -5.411 7.014 1.00 0.00 C ATOM 840 C THR A 52 13.519 -5.611 6.301 1.00 0.00 C ATOM 841 O THR A 52 12.886 -6.638 6.433 1.00 0.00 O ATOM 842 CB THR A 52 14.704 -4.341 8.092 1.00 0.00 C ATOM 843 OG1 THR A 52 15.837 -3.484 8.068 1.00 0.00 O ATOM 844 CG2 THR A 52 14.590 -5.003 9.465 1.00 0.00 C ATOM 0 H THR A 52 16.212 -4.020 6.137 1.00 0.00 H new ATOM 0 HA THR A 52 15.164 -6.349 7.475 1.00 0.00 H new ATOM 0 HB THR A 52 13.803 -3.759 7.900 1.00 0.00 H new ATOM 0 HG1 THR A 52 16.196 -3.391 8.975 1.00 0.00 H new ATOM 0 HG21 THR A 52 14.482 -4.235 10.231 1.00 0.00 H new ATOM 0 HG22 THR A 52 13.719 -5.657 9.482 1.00 0.00 H new ATOM 0 HG23 THR A 52 15.488 -5.589 9.662 1.00 0.00 H new ATOM 852 N VAL A 53 13.085 -4.644 5.540 1.00 0.00 N ATOM 853 CA VAL A 53 11.794 -4.804 4.818 1.00 0.00 C ATOM 854 C VAL A 53 11.868 -6.080 3.982 1.00 0.00 C ATOM 855 O VAL A 53 10.864 -6.662 3.620 1.00 0.00 O ATOM 856 CB VAL A 53 11.557 -3.593 3.910 1.00 0.00 C ATOM 857 CG1 VAL A 53 10.491 -3.925 2.862 1.00 0.00 C ATOM 858 CG2 VAL A 53 11.079 -2.411 4.756 1.00 0.00 C ATOM 0 H VAL A 53 13.565 -3.757 5.388 1.00 0.00 H new ATOM 0 HA VAL A 53 10.969 -4.872 5.527 1.00 0.00 H new ATOM 0 HB VAL A 53 12.489 -3.337 3.407 1.00 0.00 H new ATOM 0 HG11 VAL A 53 10.329 -3.059 2.221 1.00 0.00 H new ATOM 0 HG12 VAL A 53 10.826 -4.767 2.256 1.00 0.00 H new ATOM 0 HG13 VAL A 53 9.558 -4.186 3.362 1.00 0.00 H new ATOM 0 HG21 VAL A 53 10.910 -1.548 4.112 1.00 0.00 H new ATOM 0 HG22 VAL A 53 10.149 -2.676 5.259 1.00 0.00 H new ATOM 0 HG23 VAL A 53 11.837 -2.166 5.500 1.00 0.00 H new ATOM 868 N GLU A 54 13.059 -6.527 3.688 1.00 0.00 N ATOM 869 CA GLU A 54 13.213 -7.772 2.892 1.00 0.00 C ATOM 870 C GLU A 54 12.897 -8.964 3.799 1.00 0.00 C ATOM 871 O GLU A 54 12.257 -9.913 3.393 1.00 0.00 O ATOM 872 CB GLU A 54 14.656 -7.863 2.368 1.00 0.00 C ATOM 873 CG GLU A 54 15.045 -9.325 2.129 1.00 0.00 C ATOM 874 CD GLU A 54 15.826 -9.441 0.819 1.00 0.00 C ATOM 875 OE1 GLU A 54 15.428 -8.808 -0.144 1.00 0.00 O ATOM 876 OE2 GLU A 54 16.811 -10.162 0.801 1.00 0.00 O ATOM 0 H GLU A 54 13.933 -6.080 3.967 1.00 0.00 H new ATOM 0 HA GLU A 54 12.533 -7.772 2.040 1.00 0.00 H new ATOM 0 HB2 GLU A 54 14.749 -7.299 1.440 1.00 0.00 H new ATOM 0 HB3 GLU A 54 15.340 -7.411 3.086 1.00 0.00 H new ATOM 0 HG2 GLU A 54 15.650 -9.691 2.958 1.00 0.00 H new ATOM 0 HG3 GLU A 54 14.151 -9.947 2.088 1.00 0.00 H new ATOM 883 N GLU A 55 13.335 -8.914 5.029 1.00 0.00 N ATOM 884 CA GLU A 55 13.051 -10.040 5.963 1.00 0.00 C ATOM 885 C GLU A 55 11.553 -10.074 6.272 1.00 0.00 C ATOM 886 O GLU A 55 10.889 -11.071 6.067 1.00 0.00 O ATOM 887 CB GLU A 55 13.831 -9.841 7.264 1.00 0.00 C ATOM 888 CG GLU A 55 13.451 -10.941 8.258 1.00 0.00 C ATOM 889 CD GLU A 55 13.035 -10.309 9.587 1.00 0.00 C ATOM 890 OE1 GLU A 55 13.499 -9.217 9.871 1.00 0.00 O ATOM 891 OE2 GLU A 55 12.259 -10.927 10.297 1.00 0.00 O ATOM 0 H GLU A 55 13.875 -8.145 5.425 1.00 0.00 H new ATOM 0 HA GLU A 55 13.354 -10.979 5.500 1.00 0.00 H new ATOM 0 HB2 GLU A 55 14.903 -9.869 7.066 1.00 0.00 H new ATOM 0 HB3 GLU A 55 13.610 -8.861 7.687 1.00 0.00 H new ATOM 0 HG2 GLU A 55 12.634 -11.541 7.857 1.00 0.00 H new ATOM 0 HG3 GLU A 55 14.295 -11.614 8.412 1.00 0.00 H new ATOM 898 N ASN A 56 11.014 -8.990 6.763 1.00 0.00 N ATOM 899 CA ASN A 56 9.559 -8.962 7.081 1.00 0.00 C ATOM 900 C ASN A 56 8.762 -9.348 5.835 1.00 0.00 C ATOM 901 O ASN A 56 7.681 -9.899 5.922 1.00 0.00 O ATOM 902 CB ASN A 56 9.161 -7.552 7.525 1.00 0.00 C ATOM 903 CG ASN A 56 8.150 -7.641 8.670 1.00 0.00 C ATOM 904 OD1 ASN A 56 8.309 -6.994 9.687 1.00 0.00 O ATOM 905 ND2 ASN A 56 7.109 -8.418 8.548 1.00 0.00 N ATOM 0 H ASN A 56 11.518 -8.125 6.957 1.00 0.00 H new ATOM 0 HA ASN A 56 9.347 -9.668 7.884 1.00 0.00 H new ATOM 0 HB2 ASN A 56 10.043 -6.999 7.847 1.00 0.00 H new ATOM 0 HB3 ASN A 56 8.730 -7.004 6.687 1.00 0.00 H new ATOM 0 HD21 ASN A 56 6.429 -8.482 9.306 1.00 0.00 H new ATOM 0 HD22 ASN A 56 6.975 -8.961 7.695 1.00 0.00 H new ATOM 912 N LEU A 57 9.287 -9.061 4.674 1.00 0.00 N ATOM 913 CA LEU A 57 8.562 -9.407 3.420 1.00 0.00 C ATOM 914 C LEU A 57 8.432 -10.927 3.301 1.00 0.00 C ATOM 915 O LEU A 57 7.348 -11.459 3.169 1.00 0.00 O ATOM 916 CB LEU A 57 9.336 -8.871 2.215 1.00 0.00 C ATOM 917 CG LEU A 57 8.605 -9.260 0.930 1.00 0.00 C ATOM 918 CD1 LEU A 57 7.552 -8.201 0.599 1.00 0.00 C ATOM 919 CD2 LEU A 57 9.610 -9.356 -0.219 1.00 0.00 C ATOM 0 H LEU A 57 10.188 -8.601 4.541 1.00 0.00 H new ATOM 0 HA LEU A 57 7.569 -8.958 3.446 1.00 0.00 H new ATOM 0 HB2 LEU A 57 9.428 -7.787 2.281 1.00 0.00 H new ATOM 0 HB3 LEU A 57 10.348 -9.277 2.208 1.00 0.00 H new ATOM 0 HG LEU A 57 8.117 -10.225 1.069 1.00 0.00 H new ATOM 0 HD11 LEU A 57 7.032 -8.479 -0.317 1.00 0.00 H new ATOM 0 HD12 LEU A 57 6.835 -8.133 1.417 1.00 0.00 H new ATOM 0 HD13 LEU A 57 8.038 -7.235 0.461 1.00 0.00 H new ATOM 0 HD21 LEU A 57 9.089 -9.633 -1.136 1.00 0.00 H new ATOM 0 HD22 LEU A 57 10.098 -8.391 -0.357 1.00 0.00 H new ATOM 0 HD23 LEU A 57 10.360 -10.112 0.015 1.00 0.00 H new ATOM 931 N GLY A 58 9.530 -11.630 3.340 1.00 0.00 N ATOM 932 CA GLY A 58 9.469 -13.115 3.222 1.00 0.00 C ATOM 933 C GLY A 58 9.191 -13.731 4.594 1.00 0.00 C ATOM 934 O GLY A 58 9.247 -14.932 4.768 1.00 0.00 O ATOM 0 H GLY A 58 10.467 -11.241 3.448 1.00 0.00 H new ATOM 0 HA2 GLY A 58 8.687 -13.402 2.519 1.00 0.00 H new ATOM 0 HA3 GLY A 58 10.410 -13.497 2.825 1.00 0.00 H new ATOM 938 N ARG A 59 8.895 -12.919 5.572 1.00 0.00 N ATOM 939 CA ARG A 59 8.620 -13.465 6.933 1.00 0.00 C ATOM 940 C ARG A 59 7.109 -13.565 7.161 1.00 0.00 C ATOM 941 O ARG A 59 6.511 -14.605 6.969 1.00 0.00 O ATOM 942 CB ARG A 59 9.233 -12.538 7.985 1.00 0.00 C ATOM 943 CG ARG A 59 8.717 -12.929 9.372 1.00 0.00 C ATOM 944 CD ARG A 59 9.500 -12.169 10.445 1.00 0.00 C ATOM 945 NE ARG A 59 8.608 -11.906 11.609 1.00 0.00 N ATOM 946 CZ ARG A 59 9.112 -11.528 12.753 1.00 0.00 C ATOM 947 NH1 ARG A 59 10.402 -11.370 12.883 1.00 0.00 N ATOM 948 NH2 ARG A 59 8.322 -11.304 13.768 1.00 0.00 N ATOM 0 H ARG A 59 8.832 -11.904 5.489 1.00 0.00 H new ATOM 0 HA ARG A 59 9.060 -14.459 7.016 1.00 0.00 H new ATOM 0 HB2 ARG A 59 10.320 -12.607 7.957 1.00 0.00 H new ATOM 0 HB3 ARG A 59 8.974 -11.502 7.768 1.00 0.00 H new ATOM 0 HG2 ARG A 59 7.654 -12.701 9.453 1.00 0.00 H new ATOM 0 HG3 ARG A 59 8.825 -14.003 9.521 1.00 0.00 H new ATOM 0 HD2 ARG A 59 10.367 -12.750 10.760 1.00 0.00 H new ATOM 0 HD3 ARG A 59 9.876 -11.229 10.040 1.00 0.00 H new ATOM 0 HE ARG A 59 7.599 -12.022 11.512 1.00 0.00 H new ATOM 0 HH11 ARG A 59 11.019 -11.542 12.089 1.00 0.00 H new ATOM 0 HH12 ARG A 59 10.792 -11.075 13.778 1.00 0.00 H new ATOM 0 HH21 ARG A 59 7.314 -11.424 13.666 1.00 0.00 H new ATOM 0 HH22 ARG A 59 8.713 -11.009 14.663 1.00 0.00 H new ATOM 962 N ALA A 60 6.490 -12.494 7.579 1.00 0.00 N ATOM 963 CA ALA A 60 5.021 -12.532 7.829 1.00 0.00 C ATOM 964 C ALA A 60 4.278 -12.009 6.599 1.00 0.00 C ATOM 965 O ALA A 60 3.120 -12.307 6.388 1.00 0.00 O ATOM 966 CB ALA A 60 4.687 -11.656 9.037 1.00 0.00 C ATOM 0 H ALA A 60 6.938 -11.595 7.758 1.00 0.00 H new ATOM 0 HA ALA A 60 4.714 -13.559 8.028 1.00 0.00 H new ATOM 0 HB1 ALA A 60 3.613 -11.683 9.220 1.00 0.00 H new ATOM 0 HB2 ALA A 60 5.215 -12.030 9.915 1.00 0.00 H new ATOM 0 HB3 ALA A 60 4.995 -10.630 8.838 1.00 0.00 H new ATOM 972 N TRP A 61 4.937 -11.232 5.785 1.00 0.00 N ATOM 973 CA TRP A 61 4.269 -10.694 4.568 1.00 0.00 C ATOM 974 C TRP A 61 4.483 -11.665 3.407 1.00 0.00 C ATOM 975 O TRP A 61 4.459 -11.286 2.253 1.00 0.00 O ATOM 976 CB TRP A 61 4.872 -9.334 4.216 1.00 0.00 C ATOM 977 CG TRP A 61 4.019 -8.652 3.193 1.00 0.00 C ATOM 978 CD1 TRP A 61 2.786 -9.057 2.812 1.00 0.00 C ATOM 979 CD2 TRP A 61 4.315 -7.455 2.415 1.00 0.00 C ATOM 980 NE1 TRP A 61 2.307 -8.186 1.850 1.00 0.00 N ATOM 981 CE2 TRP A 61 3.213 -7.182 1.572 1.00 0.00 C ATOM 982 CE3 TRP A 61 5.422 -6.588 2.360 1.00 0.00 C ATOM 983 CZ2 TRP A 61 3.208 -6.089 0.704 1.00 0.00 C ATOM 984 CZ3 TRP A 61 5.421 -5.487 1.488 1.00 0.00 C ATOM 985 CH2 TRP A 61 4.315 -5.239 0.662 1.00 0.00 C ATOM 0 H TRP A 61 5.908 -10.947 5.910 1.00 0.00 H new ATOM 0 HA TRP A 61 3.201 -10.578 4.755 1.00 0.00 H new ATOM 0 HB2 TRP A 61 4.947 -8.716 5.111 1.00 0.00 H new ATOM 0 HB3 TRP A 61 5.884 -9.463 3.832 1.00 0.00 H new ATOM 0 HD1 TRP A 61 2.261 -9.919 3.196 1.00 0.00 H new ATOM 0 HE1 TRP A 61 1.396 -8.275 1.401 1.00 0.00 H new ATOM 0 HE3 TRP A 61 6.278 -6.770 2.993 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 2.354 -5.902 0.070 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 6.276 -4.828 1.453 1.00 0.00 H new ATOM 0 HH2 TRP A 61 4.320 -4.391 -0.006 1.00 0.00 H new ATOM 996 N ASP A 62 4.690 -12.919 3.705 1.00 0.00 N ATOM 997 CA ASP A 62 4.904 -13.917 2.621 1.00 0.00 C ATOM 998 C ASP A 62 3.548 -14.433 2.135 1.00 0.00 C ATOM 999 O ASP A 62 3.355 -15.617 1.939 1.00 0.00 O ATOM 1000 CB ASP A 62 5.736 -15.083 3.156 1.00 0.00 C ATOM 1001 CG ASP A 62 5.905 -16.132 2.056 1.00 0.00 C ATOM 1002 OD1 ASP A 62 6.592 -15.843 1.090 1.00 0.00 O ATOM 1003 OD2 ASP A 62 5.347 -17.207 2.199 1.00 0.00 O ATOM 0 H ASP A 62 4.720 -13.295 4.653 1.00 0.00 H new ATOM 0 HA ASP A 62 5.434 -13.449 1.792 1.00 0.00 H new ATOM 0 HB2 ASP A 62 6.711 -14.727 3.487 1.00 0.00 H new ATOM 0 HB3 ASP A 62 5.247 -15.525 4.024 1.00 0.00 H new ATOM 1008 N VAL A 63 2.608 -13.550 1.942 1.00 0.00 N ATOM 1009 CA VAL A 63 1.260 -13.975 1.471 1.00 0.00 C ATOM 1010 C VAL A 63 1.149 -13.754 -0.038 1.00 0.00 C ATOM 1011 O VAL A 63 0.084 -13.859 -0.611 1.00 0.00 O ATOM 1012 CB VAL A 63 0.199 -13.136 2.174 1.00 0.00 C ATOM 1013 CG1 VAL A 63 -1.168 -13.804 2.017 1.00 0.00 C ATOM 1014 CG2 VAL A 63 0.543 -13.020 3.660 1.00 0.00 C ATOM 0 H VAL A 63 2.716 -12.547 2.091 1.00 0.00 H new ATOM 0 HA VAL A 63 1.113 -15.031 1.697 1.00 0.00 H new ATOM 0 HB VAL A 63 0.169 -12.141 1.729 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -1.926 -13.204 2.520 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -1.413 -13.886 0.958 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -1.140 -14.799 2.461 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -0.215 -12.420 4.163 1.00 0.00 H new ATOM 0 HG22 VAL A 63 0.573 -14.014 4.105 1.00 0.00 H new ATOM 0 HG23 VAL A 63 1.516 -12.543 3.772 1.00 0.00 H new ATOM 1024 N GLN A 64 2.240 -13.437 -0.679 1.00 0.00 N ATOM 1025 CA GLN A 64 2.207 -13.199 -2.152 1.00 0.00 C ATOM 1026 C GLN A 64 1.284 -14.218 -2.825 1.00 0.00 C ATOM 1027 O GLN A 64 0.695 -13.950 -3.853 1.00 0.00 O ATOM 1028 CB GLN A 64 3.620 -13.338 -2.720 1.00 0.00 C ATOM 1029 CG GLN A 64 4.576 -12.425 -1.947 1.00 0.00 C ATOM 1030 CD GLN A 64 3.946 -11.039 -1.785 1.00 0.00 C ATOM 1031 OE1 GLN A 64 3.210 -10.788 -0.736 1.00 0.00 O flip ATOM 1032 NE2 GLN A 64 4.124 -10.176 -2.622 1.00 0.00 N flip ATOM 0 H GLN A 64 3.157 -13.332 -0.245 1.00 0.00 H new ATOM 0 HA GLN A 64 1.831 -12.194 -2.345 1.00 0.00 H new ATOM 0 HB2 GLN A 64 3.952 -14.374 -2.647 1.00 0.00 H new ATOM 0 HB3 GLN A 64 3.625 -13.075 -3.778 1.00 0.00 H new ATOM 0 HG2 GLN A 64 4.792 -12.854 -0.968 1.00 0.00 H new ATOM 0 HG3 GLN A 64 5.525 -12.344 -2.477 1.00 0.00 H new ATOM 0 HE21 GLN A 64 4.699 -10.371 -3.442 1.00 0.00 H new ATOM 0 HE22 GLN A 64 3.699 -9.256 -2.505 1.00 0.00 H new ATOM 1041 N GLU A 65 1.150 -15.384 -2.255 1.00 0.00 N ATOM 1042 CA GLU A 65 0.261 -16.413 -2.865 1.00 0.00 C ATOM 1043 C GLU A 65 -1.159 -15.852 -2.985 1.00 0.00 C ATOM 1044 O GLU A 65 -1.740 -15.827 -4.052 1.00 0.00 O ATOM 1045 CB GLU A 65 0.244 -17.663 -1.983 1.00 0.00 C ATOM 1046 CG GLU A 65 -0.384 -18.826 -2.755 1.00 0.00 C ATOM 1047 CD GLU A 65 0.128 -20.152 -2.190 1.00 0.00 C ATOM 1048 OE1 GLU A 65 -0.258 -20.492 -1.084 1.00 0.00 O ATOM 1049 OE2 GLU A 65 0.897 -20.807 -2.875 1.00 0.00 O ATOM 0 H GLU A 65 1.617 -15.669 -1.394 1.00 0.00 H new ATOM 0 HA GLU A 65 0.634 -16.675 -3.855 1.00 0.00 H new ATOM 0 HB2 GLU A 65 1.259 -17.920 -1.679 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -0.322 -17.470 -1.072 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -1.470 -18.782 -2.679 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -0.135 -18.750 -3.813 1.00 0.00 H new ATOM 1056 N MET A 66 -1.721 -15.399 -1.897 1.00 0.00 N ATOM 1057 CA MET A 66 -3.102 -14.835 -1.949 1.00 0.00 C ATOM 1058 C MET A 66 -3.070 -13.474 -2.649 1.00 0.00 C ATOM 1059 O MET A 66 -4.094 -12.896 -2.956 1.00 0.00 O ATOM 1060 CB MET A 66 -3.630 -14.656 -0.525 1.00 0.00 C ATOM 1061 CG MET A 66 -4.808 -15.604 -0.290 1.00 0.00 C ATOM 1062 SD MET A 66 -6.260 -14.650 0.220 1.00 0.00 S ATOM 1063 CE MET A 66 -5.680 -14.221 1.879 1.00 0.00 C ATOM 0 H MET A 66 -1.285 -15.395 -0.975 1.00 0.00 H new ATOM 0 HA MET A 66 -3.752 -15.515 -2.500 1.00 0.00 H new ATOM 0 HB2 MET A 66 -2.838 -14.859 0.195 1.00 0.00 H new ATOM 0 HB3 MET A 66 -3.945 -13.624 -0.370 1.00 0.00 H new ATOM 0 HG2 MET A 66 -5.027 -16.161 -1.201 1.00 0.00 H new ATOM 0 HG3 MET A 66 -4.553 -16.335 0.477 1.00 0.00 H new ATOM 0 HE1 MET A 66 -6.497 -13.776 2.447 1.00 0.00 H new ATOM 0 HE2 MET A 66 -5.333 -15.121 2.387 1.00 0.00 H new ATOM 0 HE3 MET A 66 -4.860 -13.507 1.804 1.00 0.00 H new ATOM 1073 N LEU A 67 -1.899 -12.955 -2.895 1.00 0.00 N ATOM 1074 CA LEU A 67 -1.788 -11.628 -3.566 1.00 0.00 C ATOM 1075 C LEU A 67 -2.580 -11.624 -4.878 1.00 0.00 C ATOM 1076 O LEU A 67 -2.862 -10.580 -5.431 1.00 0.00 O ATOM 1077 CB LEU A 67 -0.318 -11.330 -3.861 1.00 0.00 C ATOM 1078 CG LEU A 67 -0.182 -9.895 -4.372 1.00 0.00 C ATOM 1079 CD1 LEU A 67 -0.145 -8.932 -3.185 1.00 0.00 C ATOM 1080 CD2 LEU A 67 1.113 -9.762 -5.177 1.00 0.00 C ATOM 0 H LEU A 67 -1.009 -13.395 -2.659 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.197 -10.864 -2.905 1.00 0.00 H new ATOM 0 HB2 LEU A 67 0.280 -11.465 -2.959 1.00 0.00 H new ATOM 0 HB3 LEU A 67 0.064 -12.030 -4.604 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.033 -9.654 -5.009 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.048 -7.909 -3.549 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -1.067 -9.027 -2.611 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.706 -9.172 -2.548 1.00 0.00 H new ATOM 0 HD21 LEU A 67 1.211 -8.740 -5.542 1.00 0.00 H new ATOM 0 HD22 LEU A 67 1.964 -10.003 -4.540 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.087 -10.448 -6.023 1.00 0.00 H new ATOM 1092 N VAL A 68 -2.935 -12.776 -5.385 1.00 0.00 N ATOM 1093 CA VAL A 68 -3.705 -12.828 -6.664 1.00 0.00 C ATOM 1094 C VAL A 68 -4.752 -11.712 -6.682 1.00 0.00 C ATOM 1095 O VAL A 68 -4.941 -11.041 -7.678 1.00 0.00 O ATOM 1096 CB VAL A 68 -4.401 -14.183 -6.782 1.00 0.00 C ATOM 1097 CG1 VAL A 68 -4.989 -14.337 -8.187 1.00 0.00 C ATOM 1098 CG2 VAL A 68 -3.384 -15.298 -6.532 1.00 0.00 C ATOM 0 H VAL A 68 -2.725 -13.683 -4.969 1.00 0.00 H new ATOM 0 HA VAL A 68 -3.022 -12.694 -7.503 1.00 0.00 H new ATOM 0 HB VAL A 68 -5.202 -14.245 -6.045 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -5.485 -15.304 -8.270 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -5.712 -13.542 -8.368 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -4.189 -14.275 -8.925 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -3.878 -16.266 -6.615 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -2.585 -15.233 -7.270 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -2.964 -15.190 -5.532 1.00 0.00 H new ATOM 1108 N ASP A 69 -5.431 -11.503 -5.588 1.00 0.00 N ATOM 1109 CA ASP A 69 -6.457 -10.428 -5.543 1.00 0.00 C ATOM 1110 C ASP A 69 -5.780 -9.072 -5.291 1.00 0.00 C ATOM 1111 O ASP A 69 -5.696 -8.246 -6.172 1.00 0.00 O ATOM 1112 CB ASP A 69 -7.451 -10.718 -4.415 1.00 0.00 C ATOM 1113 CG ASP A 69 -7.862 -12.191 -4.466 1.00 0.00 C ATOM 1114 OD1 ASP A 69 -8.540 -12.564 -5.408 1.00 0.00 O ATOM 1115 OD2 ASP A 69 -7.490 -12.920 -3.561 1.00 0.00 O ATOM 0 H ASP A 69 -5.318 -12.032 -4.723 1.00 0.00 H new ATOM 0 HA ASP A 69 -6.984 -10.395 -6.496 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -7.000 -10.488 -3.450 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -8.329 -10.080 -4.516 1.00 0.00 H new ATOM 1120 N VAL A 70 -5.353 -8.838 -4.069 1.00 0.00 N ATOM 1121 CA VAL A 70 -4.709 -7.534 -3.676 1.00 0.00 C ATOM 1122 C VAL A 70 -3.702 -7.071 -4.747 1.00 0.00 C ATOM 1123 O VAL A 70 -3.663 -7.602 -5.818 1.00 0.00 O ATOM 1124 CB VAL A 70 -4.002 -7.696 -2.318 1.00 0.00 C ATOM 1125 CG1 VAL A 70 -3.983 -6.360 -1.564 1.00 0.00 C ATOM 1126 CG2 VAL A 70 -4.760 -8.711 -1.465 1.00 0.00 C ATOM 0 H VAL A 70 -5.425 -9.513 -3.307 1.00 0.00 H new ATOM 0 HA VAL A 70 -5.486 -6.774 -3.592 1.00 0.00 H new ATOM 0 HB VAL A 70 -2.981 -8.033 -2.500 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -3.480 -6.490 -0.606 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -3.450 -5.616 -2.156 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -5.006 -6.023 -1.394 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -4.259 -8.825 -0.504 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -5.780 -8.361 -1.303 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -4.783 -9.672 -1.978 1.00 0.00 H new ATOM 1136 N ILE A 71 -2.928 -6.050 -4.453 1.00 0.00 N ATOM 1137 CA ILE A 71 -1.920 -5.484 -5.405 1.00 0.00 C ATOM 1138 C ILE A 71 -1.617 -4.065 -4.844 1.00 0.00 C ATOM 1139 O ILE A 71 -1.997 -3.771 -3.729 1.00 0.00 O ATOM 1140 CB ILE A 71 -2.492 -5.531 -6.860 1.00 0.00 C ATOM 1141 CG1 ILE A 71 -2.038 -6.855 -7.525 1.00 0.00 C ATOM 1142 CG2 ILE A 71 -2.031 -4.362 -7.740 1.00 0.00 C ATOM 1143 CD1 ILE A 71 -0.747 -6.664 -8.336 1.00 0.00 C ATOM 0 H ILE A 71 -2.958 -5.569 -3.554 1.00 0.00 H new ATOM 0 HA ILE A 71 -0.986 -6.042 -5.478 1.00 0.00 H new ATOM 0 HB ILE A 71 -3.577 -5.460 -6.778 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -1.878 -7.613 -6.758 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -2.828 -7.225 -8.179 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -2.467 -4.461 -8.734 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -2.354 -3.421 -7.294 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -0.944 -4.372 -7.818 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -0.458 -7.613 -8.788 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -0.915 -5.925 -9.119 1.00 0.00 H new ATOM 0 HD13 ILE A 71 0.049 -6.319 -7.677 1.00 0.00 H new ATOM 1155 N THR A 72 -0.968 -3.183 -5.551 1.00 0.00 N ATOM 1156 CA THR A 72 -0.702 -1.823 -4.995 1.00 0.00 C ATOM 1157 C THR A 72 -0.033 -0.984 -6.087 1.00 0.00 C ATOM 1158 O THR A 72 -0.146 -1.313 -7.228 1.00 0.00 O ATOM 1159 CB THR A 72 0.239 -1.950 -3.803 1.00 0.00 C ATOM 1160 OG1 THR A 72 0.852 -3.232 -3.819 1.00 0.00 O ATOM 1161 CG2 THR A 72 -0.547 -1.771 -2.503 1.00 0.00 C ATOM 0 H THR A 72 -0.609 -3.344 -6.492 1.00 0.00 H new ATOM 0 HA THR A 72 -1.630 -1.350 -4.674 1.00 0.00 H new ATOM 0 HB THR A 72 1.008 -1.180 -3.865 1.00 0.00 H new ATOM 0 HG1 THR A 72 1.459 -3.314 -3.054 1.00 0.00 H new ATOM 0 HG21 THR A 72 0.129 -1.863 -1.653 1.00 0.00 H new ATOM 0 HG22 THR A 72 -1.012 -0.785 -2.492 1.00 0.00 H new ATOM 0 HG23 THR A 72 -1.319 -2.537 -2.436 1.00 0.00 H new ATOM 1169 N ILE A 73 0.664 0.074 -5.726 1.00 0.00 N ATOM 1170 CA ILE A 73 1.400 0.945 -6.715 1.00 0.00 C ATOM 1171 C ILE A 73 2.302 1.861 -5.879 1.00 0.00 C ATOM 1172 O ILE A 73 3.022 1.397 -5.017 1.00 0.00 O ATOM 1173 CB ILE A 73 0.452 1.783 -7.610 1.00 0.00 C ATOM 1174 CG1 ILE A 73 -0.474 0.879 -8.417 1.00 0.00 C ATOM 1175 CG2 ILE A 73 1.287 2.574 -8.625 1.00 0.00 C ATOM 1176 CD1 ILE A 73 0.382 -0.025 -9.308 1.00 0.00 C ATOM 0 H ILE A 73 0.757 0.380 -4.758 1.00 0.00 H new ATOM 0 HA ILE A 73 1.967 0.322 -7.407 1.00 0.00 H new ATOM 0 HB ILE A 73 -0.129 2.437 -6.960 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -1.092 0.278 -7.750 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -1.152 1.478 -9.025 1.00 0.00 H new ATOM 0 HG21 ILE A 73 0.626 3.166 -9.258 1.00 0.00 H new ATOM 0 HG22 ILE A 73 1.971 3.237 -8.095 1.00 0.00 H new ATOM 0 HG23 ILE A 73 1.858 1.882 -9.244 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -0.266 -0.679 -9.892 1.00 0.00 H new ATOM 0 HD12 ILE A 73 0.981 0.589 -9.981 1.00 0.00 H new ATOM 0 HD13 ILE A 73 1.042 -0.630 -8.686 1.00 0.00 H new ATOM 1188 N GLY A 74 2.250 3.144 -6.072 1.00 0.00 N ATOM 1189 CA GLY A 74 3.079 4.045 -5.230 1.00 0.00 C ATOM 1190 C GLY A 74 3.220 5.416 -5.888 1.00 0.00 C ATOM 1191 O GLY A 74 2.673 6.404 -5.439 1.00 0.00 O ATOM 0 H GLY A 74 1.672 3.608 -6.773 1.00 0.00 H new ATOM 0 HA2 GLY A 74 2.623 4.153 -4.246 1.00 0.00 H new ATOM 0 HA3 GLY A 74 4.065 3.605 -5.078 1.00 0.00 H new ATOM 1195 N GLY A 75 3.975 5.471 -6.934 1.00 0.00 N ATOM 1196 CA GLY A 75 4.218 6.750 -7.652 1.00 0.00 C ATOM 1197 C GLY A 75 5.686 6.779 -8.093 1.00 0.00 C ATOM 1198 O GLY A 75 6.017 7.239 -9.167 1.00 0.00 O ATOM 0 H GLY A 75 4.450 4.664 -7.337 1.00 0.00 H new ATOM 0 HA2 GLY A 75 3.559 6.832 -8.517 1.00 0.00 H new ATOM 0 HA3 GLY A 75 3.999 7.598 -7.003 1.00 0.00 H new ATOM 1202 N ASN A 76 6.565 6.276 -7.263 1.00 0.00 N ATOM 1203 CA ASN A 76 8.015 6.251 -7.615 1.00 0.00 C ATOM 1204 C ASN A 76 8.792 5.531 -6.504 1.00 0.00 C ATOM 1205 O ASN A 76 8.272 4.653 -5.844 1.00 0.00 O ATOM 1206 CB ASN A 76 8.535 7.682 -7.764 1.00 0.00 C ATOM 1207 CG ASN A 76 9.394 7.777 -9.027 1.00 0.00 C ATOM 1208 OD1 ASN A 76 9.430 6.858 -9.821 1.00 0.00 O ATOM 1209 ND2 ASN A 76 10.091 8.857 -9.248 1.00 0.00 N ATOM 0 H ASN A 76 6.337 5.879 -6.351 1.00 0.00 H new ATOM 0 HA ASN A 76 8.152 5.722 -8.558 1.00 0.00 H new ATOM 0 HB2 ASN A 76 7.700 8.380 -7.824 1.00 0.00 H new ATOM 0 HB3 ASN A 76 9.122 7.961 -6.889 1.00 0.00 H new ATOM 0 HD21 ASN A 76 10.666 8.930 -10.087 1.00 0.00 H new ATOM 0 HD22 ASN A 76 10.061 9.629 -8.582 1.00 0.00 H new ATOM 1216 N VAL A 77 10.027 5.900 -6.283 1.00 0.00 N ATOM 1217 CA VAL A 77 10.820 5.240 -5.205 1.00 0.00 C ATOM 1218 C VAL A 77 11.864 6.227 -4.662 1.00 0.00 C ATOM 1219 O VAL A 77 12.892 6.463 -5.265 1.00 0.00 O ATOM 1220 CB VAL A 77 11.507 3.988 -5.764 1.00 0.00 C ATOM 1221 CG1 VAL A 77 12.669 4.388 -6.677 1.00 0.00 C ATOM 1222 CG2 VAL A 77 12.037 3.140 -4.606 1.00 0.00 C ATOM 0 H VAL A 77 10.519 6.628 -6.801 1.00 0.00 H new ATOM 0 HA VAL A 77 10.159 4.942 -4.391 1.00 0.00 H new ATOM 0 HB VAL A 77 10.784 3.412 -6.342 1.00 0.00 H new ATOM 0 HG11 VAL A 77 13.150 3.491 -7.068 1.00 0.00 H new ATOM 0 HG12 VAL A 77 12.291 4.988 -7.505 1.00 0.00 H new ATOM 0 HG13 VAL A 77 13.395 4.970 -6.109 1.00 0.00 H new ATOM 0 HG21 VAL A 77 12.526 2.249 -5.001 1.00 0.00 H new ATOM 0 HG22 VAL A 77 12.755 3.722 -4.028 1.00 0.00 H new ATOM 0 HG23 VAL A 77 11.208 2.844 -3.963 1.00 0.00 H new ATOM 1232 N ASP A 78 11.595 6.826 -3.534 1.00 0.00 N ATOM 1233 CA ASP A 78 12.552 7.810 -2.963 1.00 0.00 C ATOM 1234 C ASP A 78 13.129 7.287 -1.642 1.00 0.00 C ATOM 1235 O ASP A 78 12.488 6.548 -0.914 1.00 0.00 O ATOM 1236 CB ASP A 78 11.816 9.124 -2.704 1.00 0.00 C ATOM 1237 CG ASP A 78 10.655 9.279 -3.692 1.00 0.00 C ATOM 1238 OD1 ASP A 78 10.861 9.013 -4.865 1.00 0.00 O ATOM 1239 OD2 ASP A 78 9.581 9.661 -3.257 1.00 0.00 O ATOM 0 H ASP A 78 10.750 6.674 -2.983 1.00 0.00 H new ATOM 0 HA ASP A 78 13.368 7.966 -3.668 1.00 0.00 H new ATOM 0 HB2 ASP A 78 11.439 9.144 -1.681 1.00 0.00 H new ATOM 0 HB3 ASP A 78 12.505 9.962 -2.806 1.00 0.00 H new ATOM 1244 N GLU A 79 14.337 7.681 -1.327 1.00 0.00 N ATOM 1245 CA GLU A 79 14.975 7.232 -0.054 1.00 0.00 C ATOM 1246 C GLU A 79 15.262 8.455 0.826 1.00 0.00 C ATOM 1247 O GLU A 79 15.241 9.579 0.364 1.00 0.00 O ATOM 1248 CB GLU A 79 16.291 6.516 -0.371 1.00 0.00 C ATOM 1249 CG GLU A 79 17.260 7.499 -1.031 1.00 0.00 C ATOM 1250 CD GLU A 79 18.667 7.284 -0.472 1.00 0.00 C ATOM 1251 OE1 GLU A 79 18.996 6.148 -0.170 1.00 0.00 O ATOM 1252 OE2 GLU A 79 19.392 8.258 -0.354 1.00 0.00 O ATOM 0 H GLU A 79 14.911 8.298 -1.901 1.00 0.00 H new ATOM 0 HA GLU A 79 14.306 6.550 0.471 1.00 0.00 H new ATOM 0 HB2 GLU A 79 16.729 6.116 0.543 1.00 0.00 H new ATOM 0 HB3 GLU A 79 16.107 5.670 -1.033 1.00 0.00 H new ATOM 0 HG2 GLU A 79 17.261 7.355 -2.111 1.00 0.00 H new ATOM 0 HG3 GLU A 79 16.937 8.523 -0.846 1.00 0.00 H new ATOM 1259 N ASP A 80 15.532 8.250 2.090 1.00 0.00 N ATOM 1260 CA ASP A 80 15.820 9.405 2.985 1.00 0.00 C ATOM 1261 C ASP A 80 17.278 9.335 3.466 1.00 0.00 C ATOM 1262 O ASP A 80 18.199 9.443 2.681 1.00 0.00 O ATOM 1263 CB ASP A 80 14.864 9.376 4.182 1.00 0.00 C ATOM 1264 CG ASP A 80 14.789 7.959 4.755 1.00 0.00 C ATOM 1265 OD1 ASP A 80 14.294 7.088 4.064 1.00 0.00 O ATOM 1266 OD2 ASP A 80 15.222 7.769 5.880 1.00 0.00 O ATOM 0 H ASP A 80 15.565 7.334 2.538 1.00 0.00 H new ATOM 0 HA ASP A 80 15.674 10.337 2.438 1.00 0.00 H new ATOM 0 HB2 ASP A 80 15.207 10.070 4.949 1.00 0.00 H new ATOM 0 HB3 ASP A 80 13.872 9.706 3.874 1.00 0.00 H new ATOM 1271 N ASP A 81 17.503 9.160 4.746 1.00 0.00 N ATOM 1272 CA ASP A 81 18.901 9.092 5.254 1.00 0.00 C ATOM 1273 C ASP A 81 19.316 7.630 5.432 1.00 0.00 C ATOM 1274 O ASP A 81 20.424 7.249 5.110 1.00 0.00 O ATOM 1275 CB ASP A 81 18.987 9.813 6.600 1.00 0.00 C ATOM 1276 CG ASP A 81 20.456 10.016 6.977 1.00 0.00 C ATOM 1277 OD1 ASP A 81 21.290 9.948 6.090 1.00 0.00 O ATOM 1278 OD2 ASP A 81 20.720 10.236 8.148 1.00 0.00 O ATOM 0 H ASP A 81 16.778 9.062 5.456 1.00 0.00 H new ATOM 0 HA ASP A 81 19.569 9.571 4.538 1.00 0.00 H new ATOM 0 HB2 ASP A 81 18.479 10.776 6.542 1.00 0.00 H new ATOM 0 HB3 ASP A 81 18.480 9.231 7.370 1.00 0.00 H new ATOM 1283 N ASP A 82 18.440 6.803 5.938 1.00 0.00 N ATOM 1284 CA ASP A 82 18.797 5.371 6.126 1.00 0.00 C ATOM 1285 C ASP A 82 17.684 4.511 5.538 1.00 0.00 C ATOM 1286 O ASP A 82 17.897 3.721 4.639 1.00 0.00 O ATOM 1287 CB ASP A 82 18.948 5.074 7.619 1.00 0.00 C ATOM 1288 CG ASP A 82 20.424 5.163 8.009 1.00 0.00 C ATOM 1289 OD1 ASP A 82 21.225 4.495 7.375 1.00 0.00 O ATOM 1290 OD2 ASP A 82 20.730 5.897 8.934 1.00 0.00 O ATOM 0 H ASP A 82 17.496 7.058 6.228 1.00 0.00 H new ATOM 0 HA ASP A 82 19.739 5.150 5.624 1.00 0.00 H new ATOM 0 HB2 ASP A 82 18.363 5.784 8.203 1.00 0.00 H new ATOM 0 HB3 ASP A 82 18.560 4.080 7.844 1.00 0.00 H new ATOM 1295 N ARG A 83 16.491 4.677 6.032 1.00 0.00 N ATOM 1296 CA ARG A 83 15.349 3.892 5.501 1.00 0.00 C ATOM 1297 C ARG A 83 15.235 4.149 3.999 1.00 0.00 C ATOM 1298 O ARG A 83 16.077 4.801 3.416 1.00 0.00 O ATOM 1299 CB ARG A 83 14.071 4.349 6.195 1.00 0.00 C ATOM 1300 CG ARG A 83 13.688 3.337 7.273 1.00 0.00 C ATOM 1301 CD ARG A 83 14.058 3.892 8.647 1.00 0.00 C ATOM 1302 NE ARG A 83 13.139 5.013 8.991 1.00 0.00 N ATOM 1303 CZ ARG A 83 13.057 5.439 10.223 1.00 0.00 C ATOM 1304 NH1 ARG A 83 13.781 4.887 11.160 1.00 0.00 N ATOM 1305 NH2 ARG A 83 12.251 6.422 10.518 1.00 0.00 N ATOM 0 H ARG A 83 16.258 5.326 6.784 1.00 0.00 H new ATOM 0 HA ARG A 83 15.502 2.828 5.682 1.00 0.00 H new ATOM 0 HB2 ARG A 83 14.218 5.333 6.640 1.00 0.00 H new ATOM 0 HB3 ARG A 83 13.264 4.445 5.468 1.00 0.00 H new ATOM 0 HG2 ARG A 83 12.619 3.130 7.229 1.00 0.00 H new ATOM 0 HG3 ARG A 83 14.203 2.392 7.100 1.00 0.00 H new ATOM 0 HD2 ARG A 83 13.989 3.106 9.399 1.00 0.00 H new ATOM 0 HD3 ARG A 83 15.091 4.241 8.645 1.00 0.00 H new ATOM 0 HE ARG A 83 12.573 5.449 8.263 1.00 0.00 H new ATOM 0 HH11 ARG A 83 14.413 4.120 10.931 1.00 0.00 H new ATOM 0 HH12 ARG A 83 13.714 5.223 12.121 1.00 0.00 H new ATOM 0 HH21 ARG A 83 11.687 6.856 9.787 1.00 0.00 H new ATOM 0 HH22 ARG A 83 12.185 6.757 11.479 1.00 0.00 H new ATOM 1319 N PHE A 84 14.207 3.655 3.364 1.00 0.00 N ATOM 1320 CA PHE A 84 14.074 3.896 1.902 1.00 0.00 C ATOM 1321 C PHE A 84 12.904 3.112 1.300 1.00 0.00 C ATOM 1322 O PHE A 84 12.883 1.899 1.296 1.00 0.00 O ATOM 1323 CB PHE A 84 15.363 3.463 1.202 1.00 0.00 C ATOM 1324 CG PHE A 84 15.155 3.460 -0.298 1.00 0.00 C ATOM 1325 CD1 PHE A 84 14.208 4.311 -0.877 1.00 0.00 C ATOM 1326 CD2 PHE A 84 15.910 2.604 -1.108 1.00 0.00 C ATOM 1327 CE1 PHE A 84 14.016 4.307 -2.263 1.00 0.00 C ATOM 1328 CE2 PHE A 84 15.719 2.599 -2.495 1.00 0.00 C ATOM 1329 CZ PHE A 84 14.771 3.451 -3.072 1.00 0.00 C ATOM 0 H PHE A 84 13.463 3.102 3.789 1.00 0.00 H new ATOM 0 HA PHE A 84 13.887 4.960 1.755 1.00 0.00 H new ATOM 0 HB2 PHE A 84 16.176 4.140 1.464 1.00 0.00 H new ATOM 0 HB3 PHE A 84 15.655 2.469 1.540 1.00 0.00 H new ATOM 0 HD1 PHE A 84 13.624 4.972 -0.254 1.00 0.00 H new ATOM 0 HD2 PHE A 84 16.641 1.946 -0.662 1.00 0.00 H new ATOM 0 HE1 PHE A 84 13.285 4.965 -2.708 1.00 0.00 H new ATOM 0 HE2 PHE A 84 16.303 1.938 -3.119 1.00 0.00 H new ATOM 0 HZ PHE A 84 14.622 3.448 -4.142 1.00 0.00 H new ATOM 1339 N VAL A 85 11.970 3.814 0.728 1.00 0.00 N ATOM 1340 CA VAL A 85 10.834 3.163 0.029 1.00 0.00 C ATOM 1341 C VAL A 85 10.229 4.191 -0.911 1.00 0.00 C ATOM 1342 O VAL A 85 10.869 4.605 -1.858 1.00 0.00 O ATOM 1343 CB VAL A 85 9.783 2.475 0.943 1.00 0.00 C ATOM 1344 CG1 VAL A 85 9.118 3.420 1.924 1.00 0.00 C ATOM 1345 CG2 VAL A 85 8.697 1.878 0.050 1.00 0.00 C ATOM 0 H VAL A 85 11.947 4.834 0.716 1.00 0.00 H new ATOM 0 HA VAL A 85 11.226 2.312 -0.528 1.00 0.00 H new ATOM 0 HB VAL A 85 10.310 1.722 1.529 1.00 0.00 H new ATOM 0 HG11 VAL A 85 8.397 2.869 2.528 1.00 0.00 H new ATOM 0 HG12 VAL A 85 9.874 3.861 2.574 1.00 0.00 H new ATOM 0 HG13 VAL A 85 8.604 4.210 1.377 1.00 0.00 H new ATOM 0 HG21 VAL A 85 7.945 1.388 0.669 1.00 0.00 H new ATOM 0 HG22 VAL A 85 8.227 2.671 -0.531 1.00 0.00 H new ATOM 0 HG23 VAL A 85 9.142 1.148 -0.626 1.00 0.00 H new ATOM 1355 N LEU A 86 9.030 4.600 -0.715 1.00 0.00 N ATOM 1356 CA LEU A 86 8.459 5.579 -1.664 1.00 0.00 C ATOM 1357 C LEU A 86 7.795 6.758 -0.954 1.00 0.00 C ATOM 1358 O LEU A 86 7.150 6.611 0.042 1.00 0.00 O ATOM 1359 CB LEU A 86 7.406 4.881 -2.519 1.00 0.00 C ATOM 1360 CG LEU A 86 6.580 5.943 -3.232 1.00 0.00 C ATOM 1361 CD1 LEU A 86 7.512 6.781 -4.104 1.00 0.00 C ATOM 1362 CD2 LEU A 86 5.511 5.273 -4.079 1.00 0.00 C ATOM 0 H LEU A 86 8.420 4.309 0.049 1.00 0.00 H new ATOM 0 HA LEU A 86 9.278 5.965 -2.270 1.00 0.00 H new ATOM 0 HB2 LEU A 86 7.883 4.222 -3.245 1.00 0.00 H new ATOM 0 HB3 LEU A 86 6.765 4.258 -1.896 1.00 0.00 H new ATOM 0 HG LEU A 86 6.087 6.590 -2.507 1.00 0.00 H new ATOM 0 HD11 LEU A 86 6.935 7.547 -4.622 1.00 0.00 H new ATOM 0 HD12 LEU A 86 8.266 7.257 -3.477 1.00 0.00 H new ATOM 0 HD13 LEU A 86 8.001 6.138 -4.836 1.00 0.00 H new ATOM 0 HD21 LEU A 86 4.921 6.034 -4.589 1.00 0.00 H new ATOM 0 HD22 LEU A 86 5.984 4.626 -4.818 1.00 0.00 H new ATOM 0 HD23 LEU A 86 4.860 4.677 -3.439 1.00 0.00 H new ATOM 1374 N GLU A 87 7.909 7.912 -1.543 1.00 0.00 N ATOM 1375 CA GLU A 87 7.250 9.136 -1.034 1.00 0.00 C ATOM 1376 C GLU A 87 6.331 9.634 -2.148 1.00 0.00 C ATOM 1377 O GLU A 87 5.852 8.863 -2.955 1.00 0.00 O ATOM 1378 CB GLU A 87 8.294 10.214 -0.765 1.00 0.00 C ATOM 1379 CG GLU A 87 9.547 9.605 -0.128 1.00 0.00 C ATOM 1380 CD GLU A 87 10.663 10.650 -0.108 1.00 0.00 C ATOM 1381 OE1 GLU A 87 10.355 11.820 -0.269 1.00 0.00 O ATOM 1382 OE2 GLU A 87 11.807 10.264 0.067 1.00 0.00 O ATOM 0 H GLU A 87 8.456 8.059 -2.392 1.00 0.00 H new ATOM 0 HA GLU A 87 6.707 8.924 -0.113 1.00 0.00 H new ATOM 0 HB2 GLU A 87 8.559 10.712 -1.698 1.00 0.00 H new ATOM 0 HB3 GLU A 87 7.877 10.975 -0.105 1.00 0.00 H new ATOM 0 HG2 GLU A 87 9.328 9.271 0.886 1.00 0.00 H new ATOM 0 HG3 GLU A 87 9.865 8.727 -0.691 1.00 0.00 H new