USER MOD reduce.3.24.130724 H: found=0, std=0, add=577, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 577 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: X 24 LYS NZ :NH3+ 144:sc= 1.71 (180deg=0.812) USER MOD Set 1.2: X 54 TYR OH : rot 166:sc= 0.523 USER MOD Set 2.1: X 48 THR OG1 : rot -20:sc= 0.111 USER MOD Set 2.2: X 51 LYS NZ :NH3+ 177:sc= 1.25 (180deg=1.24) USER MOD Set 3.1: X 33 LYS NZ :NH3+ 161:sc= 0.818 (180deg=-0.511) USER MOD Set 3.2: X 34 THR OG1 : rot 77:sc= 1.28 USER MOD Single : X 6 CYS SG : rot 180:sc= 0.00292 USER MOD Single : X 8 THR OG1 : rot 180:sc= 0 USER MOD Single : X 10 TYR OH : rot 180:sc= 0 USER MOD Single : X 12 ASN :FLIP amide:sc= -0.0281 F(o=-1.5,f=-0.028) USER MOD Single : X 14 LYS NZ :NH3+ 171:sc= 0.483 (180deg=0.00529!) USER MOD Single : X 15 TYR OH : rot 180:sc= 0 USER MOD Single : X 16 THR OG1 : rot 180:sc= 0 USER MOD Single : X 20 LYS NZ :NH3+ 166:sc= 1.29 (180deg=1.09) USER MOD Single : X 21 SER OG : rot 180:sc= 0 USER MOD Single : X 23 LYS NZ :NH3+ -170:sc= -0.156 (180deg=-0.295) USER MOD Single : X 25 SER OG : rot -1:sc= 0.387 USER MOD Single : X 26 SER OG : rot 46:sc= 0.0596 USER MOD Single : X 32 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00576) USER MOD Single : X 37 LYS NZ :NH3+ -166:sc= -0.0186 (180deg=-0.204) USER MOD Single : X 38 THR OG1 : rot 180:sc= -0.0614 USER MOD Single : X 40 TYR OH : rot 180:sc= 0 USER MOD Single : X 42 TYR OH : rot -170:sc= 0.297 USER MOD Single : X 50 ASN : amide:sc= 0.643 K(o=0.64,f=0) USER MOD Single : X 55 TYR OH : rot 150:sc= -0.236 USER MOD Single : X 56 ASN : amide:sc= -3.13 K(o=-3.1,f=-3.7!) USER MOD Single : X 65 GLN : amide:sc= -1.59 X(o=-1.6,f=-1.8) USER MOD Single : X 67 LYS NZ :NH3+ 179:sc= 1.28 (180deg=1.22) USER MOD Single : X 73 ASN : amide:sc= -0.38 X(o=-0.38,f=-0.86) USER MOD Single : X 75 THR OG1 : rot -56:sc= 0.632 USER MOD Single : X 77 ASN : amide:sc= -2.82! C(o=-2.8!,f=-3!) USER MOD Single : X 78 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 72 N ASP X 5 -8.522 5.222 -1.334 1.00 0.00 N ATOM 73 CA ASP X 5 -8.085 6.147 -2.398 1.00 0.00 C ATOM 74 C ASP X 5 -7.743 5.307 -3.637 1.00 0.00 C ATOM 75 O ASP X 5 -7.894 4.064 -3.608 1.00 0.00 O ATOM 76 CB ASP X 5 -6.865 6.972 -1.938 1.00 0.00 C ATOM 77 CG ASP X 5 -6.725 8.320 -2.640 1.00 0.00 C ATOM 78 OD1 ASP X 5 -6.596 8.369 -3.873 1.00 0.00 O ATOM 79 OD2 ASP X 5 -6.749 9.352 -1.944 1.00 0.00 O ATOM 0 HA ASP X 5 -8.880 6.855 -2.633 1.00 0.00 H new ATOM 0 HB2 ASP X 5 -6.937 7.140 -0.863 1.00 0.00 H new ATOM 0 HB3 ASP X 5 -5.960 6.389 -2.109 1.00 0.00 H new ATOM 84 N CYS X 6 -7.259 5.923 -4.683 1.00 0.00 N ATOM 85 CA CYS X 6 -6.985 5.179 -5.916 1.00 0.00 C ATOM 86 C CYS X 6 -5.547 4.763 -5.960 1.00 0.00 C ATOM 87 O CYS X 6 -4.676 5.570 -6.288 1.00 0.00 O ATOM 88 CB CYS X 6 -7.211 5.998 -7.163 1.00 0.00 C ATOM 89 SG CYS X 6 -8.497 7.316 -7.016 1.00 0.00 S ATOM 0 H CYS X 6 -7.045 6.919 -4.722 1.00 0.00 H new ATOM 0 HA CYS X 6 -7.670 4.331 -5.900 1.00 0.00 H new ATOM 0 HB2 CYS X 6 -6.268 6.463 -7.449 1.00 0.00 H new ATOM 0 HB3 CYS X 6 -7.493 5.326 -7.974 1.00 0.00 H new ATOM 0 HG CYS X 6 -8.599 7.951 -8.146 1.00 0.00 H new ATOM 94 N TRP X 7 -5.267 3.544 -5.650 1.00 0.00 N ATOM 95 CA TRP X 7 -3.898 3.151 -5.646 1.00 0.00 C ATOM 96 C TRP X 7 -3.628 2.403 -6.902 1.00 0.00 C ATOM 97 O TRP X 7 -4.493 1.685 -7.417 1.00 0.00 O ATOM 98 CB TRP X 7 -3.497 2.333 -4.383 1.00 0.00 C ATOM 99 CG TRP X 7 -4.167 2.799 -3.134 1.00 0.00 C ATOM 100 CD1 TRP X 7 -4.708 4.011 -2.893 1.00 0.00 C ATOM 101 CD2 TRP X 7 -4.339 2.059 -1.955 1.00 0.00 C ATOM 102 NE1 TRP X 7 -5.312 4.032 -1.706 1.00 0.00 N ATOM 103 CE2 TRP X 7 -5.063 2.857 -1.071 1.00 0.00 C ATOM 104 CE3 TRP X 7 -3.968 0.794 -1.566 1.00 0.00 C ATOM 105 CZ2 TRP X 7 -5.429 2.419 0.173 1.00 0.00 C ATOM 106 CZ3 TRP X 7 -4.310 0.359 -0.324 1.00 0.00 C ATOM 107 CH2 TRP X 7 -5.032 1.166 0.531 1.00 0.00 C ATOM 0 H TRP X 7 -5.943 2.821 -5.403 1.00 0.00 H new ATOM 0 HA TRP X 7 -3.277 4.046 -5.602 1.00 0.00 H new ATOM 0 HB2 TRP X 7 -3.741 1.284 -4.547 1.00 0.00 H new ATOM 0 HB3 TRP X 7 -2.417 2.392 -4.250 1.00 0.00 H new ATOM 0 HD1 TRP X 7 -4.658 4.850 -3.571 1.00 0.00 H new ATOM 0 HE1 TRP X 7 -5.869 4.802 -1.335 1.00 0.00 H new ATOM 0 HE3 TRP X 7 -3.413 0.155 -2.237 1.00 0.00 H new ATOM 0 HZ2 TRP X 7 -6.007 3.040 0.842 1.00 0.00 H new ATOM 0 HZ3 TRP X 7 -4.013 -0.629 -0.003 1.00 0.00 H new ATOM 0 HH2 TRP X 7 -5.290 0.794 1.512 1.00 0.00 H new ATOM 118 N THR X 8 -2.471 2.560 -7.380 1.00 0.00 N ATOM 119 CA THR X 8 -2.068 1.960 -8.606 1.00 0.00 C ATOM 120 C THR X 8 -1.219 0.727 -8.280 1.00 0.00 C ATOM 121 O THR X 8 -0.317 0.773 -7.423 1.00 0.00 O ATOM 122 CB THR X 8 -1.258 2.995 -9.423 1.00 0.00 C ATOM 123 OG1 THR X 8 -2.024 4.228 -9.495 1.00 0.00 O ATOM 124 CG2 THR X 8 -0.993 2.488 -10.836 1.00 0.00 C ATOM 0 H THR X 8 -1.746 3.120 -6.932 1.00 0.00 H new ATOM 0 HA THR X 8 -2.929 1.650 -9.198 1.00 0.00 H new ATOM 0 HB THR X 8 -0.299 3.162 -8.932 1.00 0.00 H new ATOM 0 HG1 THR X 8 -1.523 4.895 -10.009 1.00 0.00 H new ATOM 0 HG21 THR X 8 -0.422 3.234 -11.389 1.00 0.00 H new ATOM 0 HG22 THR X 8 -0.425 1.559 -10.789 1.00 0.00 H new ATOM 0 HG23 THR X 8 -1.942 2.308 -11.342 1.00 0.00 H new ATOM 132 N PHE X 9 -1.559 -0.378 -8.905 1.00 0.00 N ATOM 133 CA PHE X 9 -0.949 -1.641 -8.602 1.00 0.00 C ATOM 134 C PHE X 9 0.138 -1.973 -9.605 1.00 0.00 C ATOM 135 O PHE X 9 0.024 -1.633 -10.785 1.00 0.00 O ATOM 136 CB PHE X 9 -1.997 -2.761 -8.575 1.00 0.00 C ATOM 137 CG PHE X 9 -1.510 -3.923 -7.790 1.00 0.00 C ATOM 138 CD1 PHE X 9 -1.661 -3.910 -6.445 1.00 0.00 C ATOM 139 CD2 PHE X 9 -0.847 -4.975 -8.376 1.00 0.00 C ATOM 140 CE1 PHE X 9 -1.173 -4.921 -5.663 1.00 0.00 C ATOM 141 CE2 PHE X 9 -0.341 -5.989 -7.603 1.00 0.00 C ATOM 142 CZ PHE X 9 -0.505 -5.963 -6.240 1.00 0.00 C ATOM 0 H PHE X 9 -2.268 -0.420 -9.637 1.00 0.00 H new ATOM 0 HA PHE X 9 -0.497 -1.561 -7.613 1.00 0.00 H new ATOM 0 HB2 PHE X 9 -2.924 -2.387 -8.141 1.00 0.00 H new ATOM 0 HB3 PHE X 9 -2.226 -3.075 -9.593 1.00 0.00 H new ATOM 0 HD1 PHE X 9 -2.178 -3.084 -5.979 1.00 0.00 H new ATOM 0 HD2 PHE X 9 -0.724 -5.003 -9.449 1.00 0.00 H new ATOM 0 HE1 PHE X 9 -1.316 -4.895 -4.593 1.00 0.00 H new ATOM 0 HE2 PHE X 9 0.187 -6.809 -8.067 1.00 0.00 H new ATOM 0 HZ PHE X 9 -0.109 -6.760 -5.629 1.00 0.00 H new ATOM 152 N TYR X 10 1.214 -2.575 -9.138 1.00 0.00 N ATOM 153 CA TYR X 10 2.264 -2.997 -10.039 1.00 0.00 C ATOM 154 C TYR X 10 2.338 -4.527 -10.126 1.00 0.00 C ATOM 155 O TYR X 10 2.155 -5.094 -11.202 1.00 0.00 O ATOM 156 CB TYR X 10 3.618 -2.403 -9.633 1.00 0.00 C ATOM 157 CG TYR X 10 4.759 -2.690 -10.609 1.00 0.00 C ATOM 158 CD1 TYR X 10 4.865 -1.994 -11.806 1.00 0.00 C ATOM 159 CD2 TYR X 10 5.739 -3.631 -10.318 1.00 0.00 C ATOM 160 CE1 TYR X 10 5.906 -2.225 -12.683 1.00 0.00 C ATOM 161 CE2 TYR X 10 6.780 -3.868 -11.194 1.00 0.00 C ATOM 162 CZ TYR X 10 6.860 -3.161 -12.374 1.00 0.00 C ATOM 163 OH TYR X 10 7.906 -3.395 -13.251 1.00 0.00 O ATOM 0 H TYR X 10 1.382 -2.780 -8.153 1.00 0.00 H new ATOM 0 HA TYR X 10 2.019 -2.617 -11.031 1.00 0.00 H new ATOM 0 HB2 TYR X 10 3.510 -1.323 -9.529 1.00 0.00 H new ATOM 0 HB3 TYR X 10 3.891 -2.792 -8.652 1.00 0.00 H new ATOM 0 HD1 TYR X 10 4.117 -1.256 -12.056 1.00 0.00 H new ATOM 0 HD2 TYR X 10 5.686 -4.185 -9.393 1.00 0.00 H new ATOM 0 HE1 TYR X 10 5.969 -1.671 -13.608 1.00 0.00 H new ATOM 0 HE2 TYR X 10 7.531 -4.607 -10.954 1.00 0.00 H new ATOM 0 HH TYR X 10 8.494 -4.087 -12.882 1.00 0.00 H new ATOM 173 N ALA X 11 2.565 -5.191 -8.981 1.00 0.00 N ATOM 174 CA ALA X 11 2.791 -6.635 -8.938 1.00 0.00 C ATOM 175 C ALA X 11 2.957 -7.049 -7.515 1.00 0.00 C ATOM 176 O ALA X 11 3.097 -6.180 -6.635 1.00 0.00 O ATOM 177 CB ALA X 11 4.047 -7.018 -9.700 1.00 0.00 C ATOM 0 H ALA X 11 2.596 -4.740 -8.067 1.00 0.00 H new ATOM 0 HA ALA X 11 1.938 -7.133 -9.398 1.00 0.00 H new ATOM 0 HB1 ALA X 11 4.188 -8.098 -9.650 1.00 0.00 H new ATOM 0 HB2 ALA X 11 3.948 -6.713 -10.742 1.00 0.00 H new ATOM 0 HB3 ALA X 11 4.908 -6.519 -9.256 1.00 0.00 H new ATOM 183 N ASN X 12 2.870 -8.333 -7.239 1.00 0.00 N ATOM 184 CA ASN X 12 3.207 -8.767 -5.905 1.00 0.00 C ATOM 185 C ASN X 12 4.697 -8.871 -5.921 1.00 0.00 C ATOM 186 O ASN X 12 5.266 -9.619 -6.711 1.00 0.00 O ATOM 187 CB ASN X 12 2.631 -10.183 -5.598 1.00 0.00 C ATOM 188 CG ASN X 12 1.117 -10.260 -5.404 1.00 0.00 C ATOM 189 OD1 ASN X 12 0.392 -9.382 -6.021 1.00 0.00 O flip ATOM 190 ND2 ASN X 12 0.612 -11.129 -4.698 1.00 0.00 N flip ATOM 0 H ASN X 12 2.582 -9.064 -7.889 1.00 0.00 H new ATOM 0 HA ASN X 12 2.808 -8.082 -5.157 1.00 0.00 H new ATOM 0 HB2 ASN X 12 2.908 -10.851 -6.413 1.00 0.00 H new ATOM 0 HB3 ASN X 12 3.113 -10.563 -4.697 1.00 0.00 H new ATOM 0 HD21 ASN X 12 1.206 -11.809 -4.223 1.00 0.00 H new ATOM 0 HD22 ASN X 12 -0.401 -11.171 -4.587 1.00 0.00 H new ATOM 197 N ARG X 13 5.319 -8.104 -5.095 1.00 0.00 N ATOM 198 CA ARG X 13 6.751 -8.061 -4.988 1.00 0.00 C ATOM 199 C ARG X 13 7.100 -7.624 -3.609 1.00 0.00 C ATOM 200 O ARG X 13 6.253 -7.086 -2.958 1.00 0.00 O ATOM 201 CB ARG X 13 7.403 -7.056 -5.982 1.00 0.00 C ATOM 202 CG ARG X 13 7.338 -7.405 -7.465 1.00 0.00 C ATOM 203 CD ARG X 13 8.171 -6.422 -8.279 1.00 0.00 C ATOM 204 NE ARG X 13 8.151 -6.703 -9.727 1.00 0.00 N ATOM 205 CZ ARG X 13 9.131 -6.367 -10.590 1.00 0.00 C ATOM 206 NH1 ARG X 13 10.314 -5.921 -10.149 1.00 0.00 N ATOM 207 NH2 ARG X 13 8.936 -6.521 -11.889 1.00 0.00 N ATOM 0 H ARG X 13 4.841 -7.470 -4.455 1.00 0.00 H new ATOM 0 HA ARG X 13 7.127 -9.057 -5.222 1.00 0.00 H new ATOM 0 HB2 ARG X 13 6.928 -6.085 -5.842 1.00 0.00 H new ATOM 0 HB3 ARG X 13 8.451 -6.940 -5.707 1.00 0.00 H new ATOM 0 HG2 ARG X 13 7.704 -8.420 -7.623 1.00 0.00 H new ATOM 0 HG3 ARG X 13 6.303 -7.383 -7.805 1.00 0.00 H new ATOM 0 HD2 ARG X 13 7.800 -5.412 -8.106 1.00 0.00 H new ATOM 0 HD3 ARG X 13 9.201 -6.448 -7.925 1.00 0.00 H new ATOM 0 HE ARG X 13 7.336 -7.187 -10.103 1.00 0.00 H new ATOM 0 HH11 ARG X 13 10.484 -5.831 -9.147 1.00 0.00 H new ATOM 0 HH12 ARG X 13 11.045 -5.671 -10.815 1.00 0.00 H new ATOM 0 HH21 ARG X 13 8.049 -6.891 -12.231 1.00 0.00 H new ATOM 0 HH22 ARG X 13 9.672 -6.269 -12.549 1.00 0.00 H new ATOM 221 N LYS X 14 8.336 -7.855 -3.174 1.00 0.00 N ATOM 222 CA LYS X 14 8.920 -7.202 -1.970 1.00 0.00 C ATOM 223 C LYS X 14 10.434 -7.220 -2.007 1.00 0.00 C ATOM 224 O LYS X 14 11.035 -8.134 -2.523 1.00 0.00 O ATOM 225 CB LYS X 14 8.476 -7.720 -0.613 1.00 0.00 C ATOM 226 CG LYS X 14 7.804 -6.644 0.241 1.00 0.00 C ATOM 227 CD LYS X 14 6.337 -6.580 -0.081 1.00 0.00 C ATOM 228 CE LYS X 14 5.930 -5.211 -0.547 1.00 0.00 C ATOM 229 NZ LYS X 14 6.627 -4.796 -1.767 1.00 0.00 N ATOM 0 H LYS X 14 8.976 -8.500 -3.637 1.00 0.00 H new ATOM 0 HA LYS X 14 8.518 -6.192 -2.047 1.00 0.00 H new ATOM 0 HB2 LYS X 14 7.784 -8.550 -0.755 1.00 0.00 H new ATOM 0 HB3 LYS X 14 9.341 -8.114 -0.079 1.00 0.00 H new ATOM 0 HG2 LYS X 14 7.944 -6.867 1.299 1.00 0.00 H new ATOM 0 HG3 LYS X 14 8.269 -5.676 0.055 1.00 0.00 H new ATOM 0 HD2 LYS X 14 6.102 -7.312 -0.853 1.00 0.00 H new ATOM 0 HD3 LYS X 14 5.758 -6.851 0.802 1.00 0.00 H new ATOM 0 HE2 LYS X 14 4.855 -5.198 -0.726 1.00 0.00 H new ATOM 0 HE3 LYS X 14 6.130 -4.488 0.244 1.00 0.00 H new ATOM 0 HZ1 LYS X 14 6.202 -3.918 -2.128 1.00 0.00 H new ATOM 0 HZ2 LYS X 14 7.632 -4.633 -1.554 1.00 0.00 H new ATOM 0 HZ3 LYS X 14 6.542 -5.542 -2.486 1.00 0.00 H new ATOM 243 N TYR X 15 11.048 -6.227 -1.414 1.00 0.00 N ATOM 244 CA TYR X 15 12.494 -6.107 -1.418 1.00 0.00 C ATOM 245 C TYR X 15 13.037 -6.719 -0.122 1.00 0.00 C ATOM 246 O TYR X 15 13.942 -6.194 0.524 1.00 0.00 O ATOM 247 CB TYR X 15 12.883 -4.630 -1.589 1.00 0.00 C ATOM 248 CG TYR X 15 14.333 -4.412 -1.936 1.00 0.00 C ATOM 249 CD1 TYR X 15 14.878 -5.001 -3.063 1.00 0.00 C ATOM 250 CD2 TYR X 15 15.148 -3.620 -1.152 1.00 0.00 C ATOM 251 CE1 TYR X 15 16.201 -4.816 -3.399 1.00 0.00 C ATOM 252 CE2 TYR X 15 16.471 -3.426 -1.478 1.00 0.00 C ATOM 253 CZ TYR X 15 16.996 -4.027 -2.604 1.00 0.00 C ATOM 254 OH TYR X 15 18.332 -3.842 -2.927 1.00 0.00 O ATOM 0 H TYR X 15 10.566 -5.479 -0.915 1.00 0.00 H new ATOM 0 HA TYR X 15 12.935 -6.650 -2.254 1.00 0.00 H new ATOM 0 HB2 TYR X 15 12.263 -4.190 -2.371 1.00 0.00 H new ATOM 0 HB3 TYR X 15 12.657 -4.097 -0.666 1.00 0.00 H new ATOM 0 HD1 TYR X 15 14.254 -5.618 -3.692 1.00 0.00 H new ATOM 0 HD2 TYR X 15 14.742 -3.146 -0.271 1.00 0.00 H new ATOM 0 HE1 TYR X 15 16.610 -5.288 -4.280 1.00 0.00 H new ATOM 0 HE2 TYR X 15 17.097 -2.805 -0.854 1.00 0.00 H new ATOM 0 HH TYR X 15 18.751 -3.256 -2.263 1.00 0.00 H new ATOM 264 N THR X 16 12.416 -7.838 0.219 1.00 0.00 N ATOM 265 CA THR X 16 12.716 -8.716 1.356 1.00 0.00 C ATOM 266 C THR X 16 12.739 -8.053 2.752 1.00 0.00 C ATOM 267 O THR X 16 13.084 -8.710 3.740 1.00 0.00 O ATOM 268 CB THR X 16 13.978 -9.602 1.108 1.00 0.00 C ATOM 269 OG1 THR X 16 15.134 -8.793 0.833 1.00 0.00 O ATOM 270 CG2 THR X 16 13.739 -10.545 -0.066 1.00 0.00 C ATOM 0 H THR X 16 11.630 -8.188 -0.328 1.00 0.00 H new ATOM 0 HA THR X 16 11.842 -9.366 1.399 1.00 0.00 H new ATOM 0 HB THR X 16 14.159 -10.180 2.014 1.00 0.00 H new ATOM 0 HG1 THR X 16 15.910 -9.372 0.683 1.00 0.00 H new ATOM 0 HG21 THR X 16 14.627 -11.157 -0.228 1.00 0.00 H new ATOM 0 HG22 THR X 16 12.888 -11.190 0.153 1.00 0.00 H new ATOM 0 HG23 THR X 16 13.531 -9.963 -0.964 1.00 0.00 H new ATOM 278 N ASP X 17 12.339 -6.796 2.860 1.00 0.00 N ATOM 279 CA ASP X 17 12.313 -6.141 4.141 1.00 0.00 C ATOM 280 C ASP X 17 11.157 -5.149 4.161 1.00 0.00 C ATOM 281 O ASP X 17 10.531 -4.903 3.120 1.00 0.00 O ATOM 282 CB ASP X 17 13.645 -5.438 4.438 1.00 0.00 C ATOM 283 CG ASP X 17 13.893 -5.289 5.923 1.00 0.00 C ATOM 284 OD1 ASP X 17 13.349 -4.368 6.555 1.00 0.00 O ATOM 285 OD2 ASP X 17 14.615 -6.125 6.500 1.00 0.00 O ATOM 0 H ASP X 17 12.031 -6.219 2.077 1.00 0.00 H new ATOM 0 HA ASP X 17 12.168 -6.888 4.922 1.00 0.00 H new ATOM 0 HB2 ASP X 17 14.461 -6.005 3.990 1.00 0.00 H new ATOM 0 HB3 ASP X 17 13.647 -4.453 3.970 1.00 0.00 H new ATOM 290 N PHE X 18 10.895 -4.587 5.316 1.00 0.00 N ATOM 291 CA PHE X 18 9.750 -3.707 5.569 1.00 0.00 C ATOM 292 C PHE X 18 10.165 -2.556 6.502 1.00 0.00 C ATOM 293 O PHE X 18 9.334 -1.970 7.202 1.00 0.00 O ATOM 294 CB PHE X 18 8.603 -4.517 6.227 1.00 0.00 C ATOM 295 CG PHE X 18 7.888 -5.480 5.302 1.00 0.00 C ATOM 296 CD1 PHE X 18 8.361 -6.764 5.086 1.00 0.00 C ATOM 297 CD2 PHE X 18 6.736 -5.089 4.656 1.00 0.00 C ATOM 298 CE1 PHE X 18 7.692 -7.626 4.241 1.00 0.00 C ATOM 299 CE2 PHE X 18 6.067 -5.938 3.816 1.00 0.00 C ATOM 300 CZ PHE X 18 6.541 -7.205 3.605 1.00 0.00 C ATOM 0 H PHE X 18 11.482 -4.725 6.138 1.00 0.00 H new ATOM 0 HA PHE X 18 9.406 -3.293 4.621 1.00 0.00 H new ATOM 0 HB2 PHE X 18 9.011 -5.079 7.067 1.00 0.00 H new ATOM 0 HB3 PHE X 18 7.873 -3.818 6.635 1.00 0.00 H new ATOM 0 HD1 PHE X 18 9.261 -7.093 5.583 1.00 0.00 H new ATOM 0 HD2 PHE X 18 6.353 -4.092 4.815 1.00 0.00 H new ATOM 0 HE1 PHE X 18 8.067 -8.626 4.078 1.00 0.00 H new ATOM 0 HE2 PHE X 18 5.166 -5.609 3.320 1.00 0.00 H new ATOM 0 HZ PHE X 18 6.015 -7.875 2.941 1.00 0.00 H new ATOM 310 N ASP X 19 11.435 -2.194 6.432 1.00 0.00 N ATOM 311 CA ASP X 19 12.092 -1.186 7.314 1.00 0.00 C ATOM 312 C ASP X 19 11.446 0.198 7.288 1.00 0.00 C ATOM 313 O ASP X 19 11.577 0.968 8.242 1.00 0.00 O ATOM 314 CB ASP X 19 13.585 -1.059 6.945 1.00 0.00 C ATOM 315 CG ASP X 19 14.313 0.033 7.716 1.00 0.00 C ATOM 316 OD1 ASP X 19 14.680 -0.186 8.889 1.00 0.00 O ATOM 317 OD2 ASP X 19 14.532 1.127 7.162 1.00 0.00 O ATOM 0 H ASP X 19 12.075 -2.593 5.746 1.00 0.00 H new ATOM 0 HA ASP X 19 11.967 -1.561 8.330 1.00 0.00 H new ATOM 0 HB2 ASP X 19 14.079 -2.013 7.130 1.00 0.00 H new ATOM 0 HB3 ASP X 19 13.671 -0.857 5.877 1.00 0.00 H new ATOM 322 N LYS X 20 10.710 0.480 6.245 1.00 0.00 N ATOM 323 CA LYS X 20 10.146 1.809 6.002 1.00 0.00 C ATOM 324 C LYS X 20 9.106 2.296 7.039 1.00 0.00 C ATOM 325 O LYS X 20 8.661 3.426 6.939 1.00 0.00 O ATOM 326 CB LYS X 20 9.611 1.918 4.578 1.00 0.00 C ATOM 327 CG LYS X 20 10.664 1.665 3.497 1.00 0.00 C ATOM 328 CD LYS X 20 11.835 2.650 3.572 1.00 0.00 C ATOM 329 CE LYS X 20 11.379 4.083 3.365 1.00 0.00 C ATOM 330 NZ LYS X 20 12.482 5.047 3.459 1.00 0.00 N ATOM 0 H LYS X 20 10.475 -0.204 5.525 1.00 0.00 H new ATOM 0 HA LYS X 20 10.984 2.494 6.130 1.00 0.00 H new ATOM 0 HB2 LYS X 20 8.796 1.205 4.451 1.00 0.00 H new ATOM 0 HB3 LYS X 20 9.189 2.913 4.434 1.00 0.00 H new ATOM 0 HG2 LYS X 20 11.043 0.648 3.595 1.00 0.00 H new ATOM 0 HG3 LYS X 20 10.196 1.737 2.515 1.00 0.00 H new ATOM 0 HD2 LYS X 20 12.324 2.560 4.542 1.00 0.00 H new ATOM 0 HD3 LYS X 20 12.577 2.392 2.816 1.00 0.00 H new ATOM 0 HE2 LYS X 20 10.906 4.172 2.387 1.00 0.00 H new ATOM 0 HE3 LYS X 20 10.621 4.330 4.109 1.00 0.00 H new ATOM 0 HZ1 LYS X 20 12.173 5.966 3.082 1.00 0.00 H new ATOM 0 HZ2 LYS X 20 12.763 5.158 4.454 1.00 0.00 H new ATOM 0 HZ3 LYS X 20 13.293 4.702 2.907 1.00 0.00 H new ATOM 344 N SER X 21 8.774 1.451 8.022 1.00 0.00 N ATOM 345 CA SER X 21 7.860 1.776 9.132 1.00 0.00 C ATOM 346 C SER X 21 6.393 1.714 8.688 1.00 0.00 C ATOM 347 O SER X 21 5.819 2.658 8.055 1.00 0.00 O ATOM 348 CB SER X 21 8.241 3.110 9.827 1.00 0.00 C ATOM 349 OG SER X 21 7.488 3.353 11.016 1.00 0.00 O ATOM 0 H SER X 21 9.140 0.500 8.072 1.00 0.00 H new ATOM 0 HA SER X 21 7.977 1.007 9.896 1.00 0.00 H new ATOM 0 HB2 SER X 21 9.303 3.095 10.072 1.00 0.00 H new ATOM 0 HB3 SER X 21 8.086 3.934 9.130 1.00 0.00 H new ATOM 0 HG SER X 21 7.769 4.204 11.413 1.00 0.00 H new ATOM 355 N PHE X 22 5.796 0.574 8.979 1.00 0.00 N ATOM 356 CA PHE X 22 4.463 0.264 8.547 1.00 0.00 C ATOM 357 C PHE X 22 3.631 -0.118 9.742 1.00 0.00 C ATOM 358 O PHE X 22 4.155 -0.623 10.745 1.00 0.00 O ATOM 359 CB PHE X 22 4.491 -0.939 7.586 1.00 0.00 C ATOM 360 CG PHE X 22 5.386 -0.755 6.397 1.00 0.00 C ATOM 361 CD1 PHE X 22 5.596 0.486 5.886 1.00 0.00 C ATOM 362 CD2 PHE X 22 5.988 -1.821 5.790 1.00 0.00 C ATOM 363 CE1 PHE X 22 6.373 0.698 4.815 1.00 0.00 C ATOM 364 CE2 PHE X 22 6.797 -1.627 4.690 1.00 0.00 C ATOM 365 CZ PHE X 22 6.989 -0.362 4.198 1.00 0.00 C ATOM 0 H PHE X 22 6.235 -0.165 9.528 1.00 0.00 H new ATOM 0 HA PHE X 22 4.043 1.136 8.046 1.00 0.00 H new ATOM 0 HB2 PHE X 22 4.814 -1.822 8.137 1.00 0.00 H new ATOM 0 HB3 PHE X 22 3.477 -1.134 7.237 1.00 0.00 H new ATOM 0 HD1 PHE X 22 5.120 1.332 6.360 1.00 0.00 H new ATOM 0 HD2 PHE X 22 5.830 -2.818 6.173 1.00 0.00 H new ATOM 0 HE1 PHE X 22 6.514 1.700 4.438 1.00 0.00 H new ATOM 0 HE2 PHE X 22 7.278 -2.470 4.217 1.00 0.00 H new ATOM 0 HZ PHE X 22 7.618 -0.201 3.335 1.00 0.00 H new ATOM 375 N LYS X 23 2.367 0.107 9.654 1.00 0.00 N ATOM 376 CA LYS X 23 1.450 -0.291 10.697 1.00 0.00 C ATOM 377 C LYS X 23 0.475 -1.288 10.114 1.00 0.00 C ATOM 378 O LYS X 23 0.063 -1.121 8.956 1.00 0.00 O ATOM 379 CB LYS X 23 0.712 0.926 11.254 1.00 0.00 C ATOM 380 CG LYS X 23 1.592 1.906 12.006 1.00 0.00 C ATOM 381 CD LYS X 23 0.805 3.131 12.449 1.00 0.00 C ATOM 382 CE LYS X 23 1.575 3.967 13.469 1.00 0.00 C ATOM 383 NZ LYS X 23 2.896 4.423 12.980 1.00 0.00 N ATOM 0 H LYS X 23 1.926 0.572 8.861 1.00 0.00 H new ATOM 0 HA LYS X 23 1.997 -0.748 11.521 1.00 0.00 H new ATOM 0 HB2 LYS X 23 0.228 1.450 10.430 1.00 0.00 H new ATOM 0 HB3 LYS X 23 -0.079 0.582 11.921 1.00 0.00 H new ATOM 0 HG2 LYS X 23 2.024 1.415 12.878 1.00 0.00 H new ATOM 0 HG3 LYS X 23 2.422 2.215 11.370 1.00 0.00 H new ATOM 0 HD2 LYS X 23 0.571 3.745 11.580 1.00 0.00 H new ATOM 0 HD3 LYS X 23 -0.144 2.815 12.882 1.00 0.00 H new ATOM 0 HE2 LYS X 23 0.977 4.837 13.741 1.00 0.00 H new ATOM 0 HE3 LYS X 23 1.715 3.380 14.377 1.00 0.00 H new ATOM 0 HZ1 LYS X 23 3.435 4.835 13.768 1.00 0.00 H new ATOM 0 HZ2 LYS X 23 3.420 3.614 12.589 1.00 0.00 H new ATOM 0 HZ3 LYS X 23 2.763 5.140 12.239 1.00 0.00 H new ATOM 397 N LYS X 24 0.118 -2.323 10.866 1.00 0.00 N ATOM 398 CA LYS X 24 -0.798 -3.312 10.343 1.00 0.00 C ATOM 399 C LYS X 24 -1.812 -3.757 11.372 1.00 0.00 C ATOM 400 O LYS X 24 -1.553 -3.778 12.577 1.00 0.00 O ATOM 401 CB LYS X 24 -0.071 -4.552 9.750 1.00 0.00 C ATOM 402 CG LYS X 24 -0.027 -5.833 10.605 1.00 0.00 C ATOM 403 CD LYS X 24 0.984 -5.781 11.731 1.00 0.00 C ATOM 404 CE LYS X 24 0.973 -7.082 12.531 1.00 0.00 C ATOM 405 NZ LYS X 24 1.193 -8.280 11.672 1.00 0.00 N ATOM 0 H LYS X 24 0.444 -2.492 11.818 1.00 0.00 H new ATOM 0 HA LYS X 24 -1.326 -2.811 9.532 1.00 0.00 H new ATOM 0 HB2 LYS X 24 -0.548 -4.798 8.801 1.00 0.00 H new ATOM 0 HB3 LYS X 24 0.956 -4.263 9.525 1.00 0.00 H new ATOM 0 HG2 LYS X 24 -1.017 -6.012 11.026 1.00 0.00 H new ATOM 0 HG3 LYS X 24 0.204 -6.681 9.961 1.00 0.00 H new ATOM 0 HD2 LYS X 24 1.980 -5.608 11.324 1.00 0.00 H new ATOM 0 HD3 LYS X 24 0.759 -4.942 12.389 1.00 0.00 H new ATOM 0 HE2 LYS X 24 1.747 -7.041 13.297 1.00 0.00 H new ATOM 0 HE3 LYS X 24 0.018 -7.179 13.048 1.00 0.00 H new ATOM 0 HZ1 LYS X 24 1.758 -8.981 12.192 1.00 0.00 H new ATOM 0 HZ2 LYS X 24 0.275 -8.697 11.416 1.00 0.00 H new ATOM 0 HZ3 LYS X 24 1.699 -7.999 10.808 1.00 0.00 H new ATOM 419 N SER X 25 -2.967 -3.997 10.897 1.00 0.00 N ATOM 420 CA SER X 25 -4.063 -4.607 11.599 1.00 0.00 C ATOM 421 C SER X 25 -4.850 -5.234 10.491 1.00 0.00 C ATOM 422 O SER X 25 -4.487 -4.994 9.344 1.00 0.00 O ATOM 423 CB SER X 25 -4.902 -3.540 12.308 1.00 0.00 C ATOM 424 OG SER X 25 -4.113 -2.781 13.229 1.00 0.00 O ATOM 0 H SER X 25 -3.209 -3.761 9.935 1.00 0.00 H new ATOM 0 HA SER X 25 -3.750 -5.313 12.369 1.00 0.00 H new ATOM 0 HB2 SER X 25 -5.344 -2.872 11.569 1.00 0.00 H new ATOM 0 HB3 SER X 25 -5.726 -4.017 12.839 1.00 0.00 H new ATOM 0 HG SER X 25 -3.193 -3.120 13.229 1.00 0.00 H new ATOM 430 N SER X 26 -5.818 -6.076 10.722 1.00 0.00 N ATOM 431 CA SER X 26 -6.632 -6.340 9.588 1.00 0.00 C ATOM 432 C SER X 26 -7.955 -5.602 9.767 1.00 0.00 C ATOM 433 O SER X 26 -8.875 -6.050 10.458 1.00 0.00 O ATOM 434 CB SER X 26 -6.817 -7.858 9.422 1.00 0.00 C ATOM 435 OG SER X 26 -7.138 -8.474 10.675 1.00 0.00 O ATOM 0 H SER X 26 -6.045 -6.548 11.598 1.00 0.00 H new ATOM 0 HA SER X 26 -6.162 -5.980 8.673 1.00 0.00 H new ATOM 0 HB2 SER X 26 -7.611 -8.055 8.701 1.00 0.00 H new ATOM 0 HB3 SER X 26 -5.905 -8.298 9.019 1.00 0.00 H new ATOM 0 HG SER X 26 -7.830 -7.950 11.129 1.00 0.00 H new ATOM 441 N ASP X 27 -7.991 -4.429 9.188 1.00 0.00 N ATOM 442 CA ASP X 27 -9.159 -3.588 9.065 1.00 0.00 C ATOM 443 C ASP X 27 -9.178 -3.104 7.688 1.00 0.00 C ATOM 444 O ASP X 27 -8.390 -2.231 7.363 1.00 0.00 O ATOM 445 CB ASP X 27 -9.150 -2.417 10.035 1.00 0.00 C ATOM 446 CG ASP X 27 -9.144 -2.826 11.503 1.00 0.00 C ATOM 447 OD1 ASP X 27 -10.154 -3.373 11.980 1.00 0.00 O ATOM 448 OD2 ASP X 27 -8.144 -2.569 12.225 1.00 0.00 O ATOM 0 H ASP X 27 -7.162 -4.010 8.766 1.00 0.00 H new ATOM 0 HA ASP X 27 -10.050 -4.166 9.310 1.00 0.00 H new ATOM 0 HB2 ASP X 27 -8.273 -1.801 9.837 1.00 0.00 H new ATOM 0 HB3 ASP X 27 -10.025 -1.795 9.846 1.00 0.00 H new ATOM 453 N LEU X 28 -10.005 -3.620 6.855 1.00 0.00 N ATOM 454 CA LEU X 28 -9.943 -3.200 5.470 1.00 0.00 C ATOM 455 C LEU X 28 -10.325 -1.733 5.340 1.00 0.00 C ATOM 456 O LEU X 28 -9.641 -0.973 4.679 1.00 0.00 O ATOM 457 CB LEU X 28 -10.780 -4.094 4.523 1.00 0.00 C ATOM 458 CG LEU X 28 -10.406 -5.599 4.430 1.00 0.00 C ATOM 459 CD1 LEU X 28 -8.913 -5.795 4.219 1.00 0.00 C ATOM 460 CD2 LEU X 28 -10.902 -6.400 5.631 1.00 0.00 C ATOM 0 H LEU X 28 -10.719 -4.314 7.079 1.00 0.00 H new ATOM 0 HA LEU X 28 -8.908 -3.320 5.149 1.00 0.00 H new ATOM 0 HB2 LEU X 28 -11.823 -4.026 4.833 1.00 0.00 H new ATOM 0 HB3 LEU X 28 -10.718 -3.671 3.520 1.00 0.00 H new ATOM 0 HG LEU X 28 -10.922 -5.989 3.553 1.00 0.00 H new ATOM 0 HD11 LEU X 28 -8.691 -6.860 4.159 1.00 0.00 H new ATOM 0 HD12 LEU X 28 -8.610 -5.308 3.292 1.00 0.00 H new ATOM 0 HD13 LEU X 28 -8.367 -5.357 5.054 1.00 0.00 H new ATOM 0 HD21 LEU X 28 -10.614 -7.445 5.515 1.00 0.00 H new ATOM 0 HD22 LEU X 28 -10.459 -6.000 6.543 1.00 0.00 H new ATOM 0 HD23 LEU X 28 -11.988 -6.328 5.693 1.00 0.00 H new ATOM 472 N ASP X 29 -11.405 -1.353 5.969 1.00 0.00 N ATOM 473 CA ASP X 29 -11.840 0.038 5.968 1.00 0.00 C ATOM 474 C ASP X 29 -10.815 0.896 6.681 1.00 0.00 C ATOM 475 O ASP X 29 -10.310 1.906 6.148 1.00 0.00 O ATOM 476 CB ASP X 29 -13.146 0.194 6.745 1.00 0.00 C ATOM 477 CG ASP X 29 -14.258 -0.721 6.291 1.00 0.00 C ATOM 478 OD1 ASP X 29 -14.193 -1.944 6.573 1.00 0.00 O ATOM 479 OD2 ASP X 29 -15.218 -0.248 5.647 1.00 0.00 O ATOM 0 H ASP X 29 -12.010 -1.984 6.495 1.00 0.00 H new ATOM 0 HA ASP X 29 -11.967 0.341 4.929 1.00 0.00 H new ATOM 0 HB2 ASP X 29 -12.950 0.010 7.801 1.00 0.00 H new ATOM 0 HB3 ASP X 29 -13.484 1.227 6.659 1.00 0.00 H new ATOM 484 N GLU X 30 -10.478 0.448 7.895 1.00 0.00 N ATOM 485 CA GLU X 30 -9.615 1.195 8.774 1.00 0.00 C ATOM 486 C GLU X 30 -8.227 1.390 8.290 1.00 0.00 C ATOM 487 O GLU X 30 -7.704 2.449 8.403 1.00 0.00 O ATOM 488 CB GLU X 30 -9.702 0.862 10.257 1.00 0.00 C ATOM 489 CG GLU X 30 -11.077 1.094 10.856 1.00 0.00 C ATOM 490 CD GLU X 30 -11.034 1.187 12.356 1.00 0.00 C ATOM 491 OE1 GLU X 30 -10.797 2.300 12.874 1.00 0.00 O ATOM 492 OE2 GLU X 30 -11.222 0.181 13.038 1.00 0.00 O ATOM 0 H GLU X 30 -10.801 -0.439 8.281 1.00 0.00 H new ATOM 0 HA GLU X 30 -10.071 2.183 8.713 1.00 0.00 H new ATOM 0 HB2 GLU X 30 -9.424 -0.182 10.403 1.00 0.00 H new ATOM 0 HB3 GLU X 30 -8.973 1.465 10.799 1.00 0.00 H new ATOM 0 HG2 GLU X 30 -11.499 2.013 10.449 1.00 0.00 H new ATOM 0 HG3 GLU X 30 -11.741 0.281 10.563 1.00 0.00 H new ATOM 499 N CYS X 31 -7.637 0.381 7.740 1.00 0.00 N ATOM 500 CA CYS X 31 -6.238 0.480 7.293 1.00 0.00 C ATOM 501 C CYS X 31 -6.047 1.611 6.305 1.00 0.00 C ATOM 502 O CYS X 31 -5.074 2.373 6.387 1.00 0.00 O ATOM 503 CB CYS X 31 -5.707 -0.855 6.710 1.00 0.00 C ATOM 504 SG CYS X 31 -5.355 -2.168 7.930 1.00 0.00 S ATOM 0 H CYS X 31 -8.075 -0.526 7.579 1.00 0.00 H new ATOM 0 HA CYS X 31 -5.647 0.702 8.182 1.00 0.00 H new ATOM 0 HB2 CYS X 31 -6.438 -1.235 5.996 1.00 0.00 H new ATOM 0 HB3 CYS X 31 -4.794 -0.649 6.152 1.00 0.00 H new ATOM 509 N LYS X 32 -6.969 1.717 5.397 1.00 0.00 N ATOM 510 CA LYS X 32 -6.914 2.704 4.362 1.00 0.00 C ATOM 511 C LYS X 32 -7.029 4.054 4.981 1.00 0.00 C ATOM 512 O LYS X 32 -6.245 4.951 4.698 1.00 0.00 O ATOM 513 CB LYS X 32 -7.940 2.439 3.224 1.00 0.00 C ATOM 514 CG LYS X 32 -7.663 1.164 2.376 1.00 0.00 C ATOM 515 CD LYS X 32 -7.241 -0.072 3.184 1.00 0.00 C ATOM 516 CE LYS X 32 -6.688 -1.226 2.321 1.00 0.00 C ATOM 517 NZ LYS X 32 -7.565 -1.603 1.201 1.00 0.00 N ATOM 0 H LYS X 32 -7.790 1.114 5.353 1.00 0.00 H new ATOM 0 HA LYS X 32 -5.950 2.647 3.856 1.00 0.00 H new ATOM 0 HB2 LYS X 32 -8.934 2.357 3.663 1.00 0.00 H new ATOM 0 HB3 LYS X 32 -7.955 3.303 2.560 1.00 0.00 H new ATOM 0 HG2 LYS X 32 -8.562 0.920 1.810 1.00 0.00 H new ATOM 0 HG3 LYS X 32 -6.881 1.390 1.651 1.00 0.00 H new ATOM 0 HD2 LYS X 32 -6.482 0.222 3.909 1.00 0.00 H new ATOM 0 HD3 LYS X 32 -8.099 -0.434 3.750 1.00 0.00 H new ATOM 0 HE2 LYS X 32 -5.714 -0.937 1.926 1.00 0.00 H new ATOM 0 HE3 LYS X 32 -6.529 -2.098 2.955 1.00 0.00 H new ATOM 0 HZ1 LYS X 32 -7.147 -2.405 0.687 1.00 0.00 H new ATOM 0 HZ2 LYS X 32 -8.499 -1.876 1.568 1.00 0.00 H new ATOM 0 HZ3 LYS X 32 -7.670 -0.795 0.555 1.00 0.00 H new ATOM 531 N LYS X 33 -7.973 4.144 5.913 1.00 0.00 N ATOM 532 CA LYS X 33 -8.244 5.355 6.627 1.00 0.00 C ATOM 533 C LYS X 33 -6.975 5.785 7.422 1.00 0.00 C ATOM 534 O LYS X 33 -6.592 6.957 7.415 1.00 0.00 O ATOM 535 CB LYS X 33 -9.478 5.194 7.579 1.00 0.00 C ATOM 536 CG LYS X 33 -9.095 4.928 9.010 1.00 0.00 C ATOM 537 CD LYS X 33 -10.247 4.904 9.968 1.00 0.00 C ATOM 538 CE LYS X 33 -9.733 5.017 11.405 1.00 0.00 C ATOM 539 NZ LYS X 33 -8.829 3.911 11.803 1.00 0.00 N ATOM 0 H LYS X 33 -8.569 3.362 6.185 1.00 0.00 H new ATOM 0 HA LYS X 33 -8.495 6.135 5.909 1.00 0.00 H new ATOM 0 HB2 LYS X 33 -10.083 6.099 7.534 1.00 0.00 H new ATOM 0 HB3 LYS X 33 -10.102 4.376 7.219 1.00 0.00 H new ATOM 0 HG2 LYS X 33 -8.576 3.971 9.062 1.00 0.00 H new ATOM 0 HG3 LYS X 33 -8.387 5.692 9.331 1.00 0.00 H new ATOM 0 HD2 LYS X 33 -10.929 5.726 9.751 1.00 0.00 H new ATOM 0 HD3 LYS X 33 -10.813 3.980 9.847 1.00 0.00 H new ATOM 0 HE2 LYS X 33 -9.206 5.964 11.520 1.00 0.00 H new ATOM 0 HE3 LYS X 33 -10.584 5.041 12.085 1.00 0.00 H new ATOM 0 HZ1 LYS X 33 -8.274 4.198 12.635 1.00 0.00 H new ATOM 0 HZ2 LYS X 33 -9.393 3.069 12.037 1.00 0.00 H new ATOM 0 HZ3 LYS X 33 -8.185 3.689 11.017 1.00 0.00 H new ATOM 553 N THR X 34 -6.345 4.804 8.108 1.00 0.00 N ATOM 554 CA THR X 34 -5.203 5.023 8.918 1.00 0.00 C ATOM 555 C THR X 34 -4.045 5.532 8.089 1.00 0.00 C ATOM 556 O THR X 34 -3.280 6.366 8.530 1.00 0.00 O ATOM 557 CB THR X 34 -4.871 3.809 9.784 1.00 0.00 C ATOM 558 OG1 THR X 34 -6.096 3.370 10.404 1.00 0.00 O ATOM 559 CG2 THR X 34 -3.911 4.207 10.890 1.00 0.00 C ATOM 0 H THR X 34 -6.650 3.831 8.090 1.00 0.00 H new ATOM 0 HA THR X 34 -5.432 5.814 9.632 1.00 0.00 H new ATOM 0 HB THR X 34 -4.420 3.029 9.170 1.00 0.00 H new ATOM 0 HG1 THR X 34 -6.640 2.887 9.747 1.00 0.00 H new ATOM 0 HG21 THR X 34 -3.680 3.335 11.502 1.00 0.00 H new ATOM 0 HG22 THR X 34 -2.992 4.596 10.452 1.00 0.00 H new ATOM 0 HG23 THR X 34 -4.371 4.976 11.512 1.00 0.00 H new ATOM 567 N CYS X 35 -3.883 4.976 6.906 1.00 0.00 N ATOM 568 CA CYS X 35 -2.872 5.507 5.992 1.00 0.00 C ATOM 569 C CYS X 35 -3.135 6.959 5.716 1.00 0.00 C ATOM 570 O CYS X 35 -2.235 7.782 5.917 1.00 0.00 O ATOM 571 CB CYS X 35 -2.824 4.726 4.671 1.00 0.00 C ATOM 572 SG CYS X 35 -1.686 5.407 3.388 1.00 0.00 S ATOM 0 H CYS X 35 -4.416 4.181 6.555 1.00 0.00 H new ATOM 0 HA CYS X 35 -1.903 5.396 6.479 1.00 0.00 H new ATOM 0 HB2 CYS X 35 -2.528 3.699 4.886 1.00 0.00 H new ATOM 0 HB3 CYS X 35 -3.831 4.687 4.255 1.00 0.00 H new ATOM 577 N PHE X 36 -4.402 7.302 5.432 1.00 0.00 N ATOM 578 CA PHE X 36 -4.763 8.642 4.947 1.00 0.00 C ATOM 579 C PHE X 36 -4.435 9.638 5.982 1.00 0.00 C ATOM 580 O PHE X 36 -4.087 10.787 5.666 1.00 0.00 O ATOM 581 CB PHE X 36 -6.259 8.793 4.616 1.00 0.00 C ATOM 582 CG PHE X 36 -6.812 7.865 3.587 1.00 0.00 C ATOM 583 CD1 PHE X 36 -6.048 7.434 2.520 1.00 0.00 C ATOM 584 CD2 PHE X 36 -8.122 7.431 3.687 1.00 0.00 C ATOM 585 CE1 PHE X 36 -6.576 6.585 1.582 1.00 0.00 C ATOM 586 CE2 PHE X 36 -8.653 6.583 2.752 1.00 0.00 C ATOM 587 CZ PHE X 36 -7.881 6.158 1.701 1.00 0.00 C ATOM 0 H PHE X 36 -5.194 6.667 5.531 1.00 0.00 H new ATOM 0 HA PHE X 36 -4.197 8.796 4.028 1.00 0.00 H new ATOM 0 HB2 PHE X 36 -6.827 8.659 5.537 1.00 0.00 H new ATOM 0 HB3 PHE X 36 -6.432 9.816 4.281 1.00 0.00 H new ATOM 0 HD1 PHE X 36 -5.026 7.769 2.424 1.00 0.00 H new ATOM 0 HD2 PHE X 36 -8.733 7.765 4.512 1.00 0.00 H new ATOM 0 HE1 PHE X 36 -5.971 6.252 0.752 1.00 0.00 H new ATOM 0 HE2 PHE X 36 -9.676 6.250 2.842 1.00 0.00 H new ATOM 0 HZ PHE X 36 -8.297 5.487 0.964 1.00 0.00 H new ATOM 597 N LYS X 37 -4.606 9.240 7.208 1.00 0.00 N ATOM 598 CA LYS X 37 -4.322 10.090 8.273 1.00 0.00 C ATOM 599 C LYS X 37 -2.891 10.624 8.363 1.00 0.00 C ATOM 600 O LYS X 37 -2.762 11.793 8.762 1.00 0.00 O ATOM 601 CB LYS X 37 -4.911 9.672 9.649 1.00 0.00 C ATOM 602 CG LYS X 37 -4.387 8.417 10.352 1.00 0.00 C ATOM 603 CD LYS X 37 -2.940 8.570 10.808 1.00 0.00 C ATOM 604 CE LYS X 37 -2.497 7.452 11.723 1.00 0.00 C ATOM 605 NZ LYS X 37 -3.193 7.487 13.025 1.00 0.00 N ATOM 0 H LYS X 37 -4.946 8.316 7.474 1.00 0.00 H new ATOM 0 HA LYS X 37 -4.902 10.964 7.978 1.00 0.00 H new ATOM 0 HB2 LYS X 37 -4.769 10.510 10.331 1.00 0.00 H new ATOM 0 HB3 LYS X 37 -5.986 9.546 9.518 1.00 0.00 H new ATOM 0 HG2 LYS X 37 -5.016 8.197 11.215 1.00 0.00 H new ATOM 0 HG3 LYS X 37 -4.464 7.566 9.676 1.00 0.00 H new ATOM 0 HD2 LYS X 37 -2.289 8.599 9.934 1.00 0.00 H new ATOM 0 HD3 LYS X 37 -2.824 9.524 11.323 1.00 0.00 H new ATOM 0 HE2 LYS X 37 -2.684 6.493 11.239 1.00 0.00 H new ATOM 0 HE3 LYS X 37 -1.422 7.523 11.886 1.00 0.00 H new ATOM 0 HZ1 LYS X 37 -2.701 6.865 13.698 1.00 0.00 H new ATOM 0 HZ2 LYS X 37 -3.196 8.460 13.391 1.00 0.00 H new ATOM 0 HZ3 LYS X 37 -4.173 7.160 12.904 1.00 0.00 H new ATOM 619 N THR X 38 -1.780 9.807 8.117 1.00 0.00 N ATOM 620 CA THR X 38 -0.507 10.447 8.492 1.00 0.00 C ATOM 621 C THR X 38 -0.060 11.637 7.530 1.00 0.00 C ATOM 622 O THR X 38 -0.914 12.281 6.909 1.00 0.00 O ATOM 623 CB THR X 38 0.532 9.288 8.472 1.00 0.00 C ATOM 624 OG1 THR X 38 -0.145 8.066 8.853 1.00 0.00 O ATOM 625 CG2 THR X 38 1.634 9.511 9.486 1.00 0.00 C ATOM 0 H THR X 38 -1.758 8.865 7.726 1.00 0.00 H new ATOM 0 HA THR X 38 -0.601 10.930 9.465 1.00 0.00 H new ATOM 0 HB THR X 38 0.963 9.237 7.472 1.00 0.00 H new ATOM 0 HG1 THR X 38 0.493 7.322 8.845 1.00 0.00 H new ATOM 0 HG21 THR X 38 2.341 8.682 9.444 1.00 0.00 H new ATOM 0 HG22 THR X 38 2.153 10.442 9.260 1.00 0.00 H new ATOM 0 HG23 THR X 38 1.203 9.569 10.485 1.00 0.00 H new ATOM 633 N GLU X 39 1.236 11.902 7.322 1.00 0.00 N ATOM 634 CA GLU X 39 1.654 12.761 6.239 1.00 0.00 C ATOM 635 C GLU X 39 1.690 12.175 4.899 1.00 0.00 C ATOM 636 O GLU X 39 1.024 12.605 3.960 1.00 0.00 O ATOM 637 CB GLU X 39 2.796 13.762 6.531 1.00 0.00 C ATOM 638 CG GLU X 39 3.961 13.240 7.342 1.00 0.00 C ATOM 639 CD GLU X 39 3.658 13.196 8.813 1.00 0.00 C ATOM 640 OE1 GLU X 39 3.881 14.205 9.498 1.00 0.00 O ATOM 641 OE2 GLU X 39 3.186 12.157 9.304 1.00 0.00 O ATOM 0 H GLU X 39 1.997 11.531 7.891 1.00 0.00 H new ATOM 0 HA GLU X 39 0.776 13.406 6.197 1.00 0.00 H new ATOM 0 HB2 GLU X 39 3.180 14.128 5.579 1.00 0.00 H new ATOM 0 HB3 GLU X 39 2.373 14.619 7.055 1.00 0.00 H new ATOM 0 HG2 GLU X 39 4.222 12.239 6.997 1.00 0.00 H new ATOM 0 HG3 GLU X 39 4.832 13.873 7.172 1.00 0.00 H new ATOM 648 N TYR X 40 2.487 11.135 4.870 1.00 0.00 N ATOM 649 CA TYR X 40 2.912 10.479 3.679 1.00 0.00 C ATOM 650 C TYR X 40 1.854 9.788 2.916 1.00 0.00 C ATOM 651 O TYR X 40 1.896 9.856 1.704 1.00 0.00 O ATOM 652 CB TYR X 40 4.179 9.611 3.906 1.00 0.00 C ATOM 653 CG TYR X 40 5.365 10.427 4.388 1.00 0.00 C ATOM 654 CD1 TYR X 40 6.184 11.085 3.483 1.00 0.00 C ATOM 655 CD2 TYR X 40 5.657 10.548 5.738 1.00 0.00 C ATOM 656 CE1 TYR X 40 7.257 11.837 3.908 1.00 0.00 C ATOM 657 CE2 TYR X 40 6.729 11.302 6.169 1.00 0.00 C ATOM 658 CZ TYR X 40 7.524 11.942 5.249 1.00 0.00 C ATOM 659 OH TYR X 40 8.590 12.705 5.679 1.00 0.00 O ATOM 0 H TYR X 40 2.868 10.712 5.717 1.00 0.00 H new ATOM 0 HA TYR X 40 3.197 11.292 3.011 1.00 0.00 H new ATOM 0 HB2 TYR X 40 3.956 8.833 4.637 1.00 0.00 H new ATOM 0 HB3 TYR X 40 4.442 9.108 2.975 1.00 0.00 H new ATOM 0 HD1 TYR X 40 5.977 11.006 2.426 1.00 0.00 H new ATOM 0 HD2 TYR X 40 5.036 10.044 6.464 1.00 0.00 H new ATOM 0 HE1 TYR X 40 7.885 12.341 3.189 1.00 0.00 H new ATOM 0 HE2 TYR X 40 6.942 11.389 7.224 1.00 0.00 H new ATOM 0 HH TYR X 40 8.640 12.675 6.657 1.00 0.00 H new ATOM 669 N CYS X 41 0.836 9.219 3.648 1.00 0.00 N ATOM 670 CA CYS X 41 -0.119 8.183 3.044 1.00 0.00 C ATOM 671 C CYS X 41 0.060 7.897 1.554 1.00 0.00 C ATOM 672 O CYS X 41 -0.448 8.658 0.713 1.00 0.00 O ATOM 673 CB CYS X 41 -1.571 8.492 3.223 1.00 0.00 C ATOM 674 SG CYS X 41 -2.627 7.087 2.635 1.00 0.00 S ATOM 0 H CYS X 41 0.648 9.442 4.625 1.00 0.00 H new ATOM 0 HA CYS X 41 0.172 7.308 3.625 1.00 0.00 H new ATOM 0 HB2 CYS X 41 -1.777 8.691 4.275 1.00 0.00 H new ATOM 0 HB3 CYS X 41 -1.824 9.397 2.672 1.00 0.00 H new ATOM 679 N TYR X 42 0.769 6.825 1.216 1.00 0.00 N ATOM 680 CA TYR X 42 0.908 6.468 -0.188 1.00 0.00 C ATOM 681 C TYR X 42 1.323 5.047 -0.478 1.00 0.00 C ATOM 682 O TYR X 42 0.884 4.485 -1.467 1.00 0.00 O ATOM 683 CB TYR X 42 1.686 7.488 -1.065 1.00 0.00 C ATOM 684 CG TYR X 42 3.065 7.937 -0.600 1.00 0.00 C ATOM 685 CD1 TYR X 42 3.729 7.362 0.481 1.00 0.00 C ATOM 686 CD2 TYR X 42 3.696 8.967 -1.268 1.00 0.00 C ATOM 687 CE1 TYR X 42 4.964 7.810 0.858 1.00 0.00 C ATOM 688 CE2 TYR X 42 4.929 9.415 -0.891 1.00 0.00 C ATOM 689 CZ TYR X 42 5.558 8.840 0.167 1.00 0.00 C ATOM 690 OH TYR X 42 6.818 9.271 0.528 1.00 0.00 O ATOM 0 H TYR X 42 1.243 6.206 1.874 1.00 0.00 H new ATOM 0 HA TYR X 42 -0.133 6.530 -0.506 1.00 0.00 H new ATOM 0 HB2 TYR X 42 1.795 7.056 -2.060 1.00 0.00 H new ATOM 0 HB3 TYR X 42 1.065 8.377 -1.170 1.00 0.00 H new ATOM 0 HD1 TYR X 42 3.264 6.554 1.026 1.00 0.00 H new ATOM 0 HD2 TYR X 42 3.202 9.430 -2.110 1.00 0.00 H new ATOM 0 HE1 TYR X 42 5.472 7.356 1.696 1.00 0.00 H new ATOM 0 HE2 TYR X 42 5.402 10.222 -1.431 1.00 0.00 H new ATOM 0 HH TYR X 42 7.027 10.103 0.054 1.00 0.00 H new ATOM 700 N ILE X 43 2.131 4.425 0.339 1.00 0.00 N ATOM 701 CA ILE X 43 2.545 3.095 -0.048 1.00 0.00 C ATOM 702 C ILE X 43 1.847 2.134 0.841 1.00 0.00 C ATOM 703 O ILE X 43 1.709 2.392 2.014 1.00 0.00 O ATOM 704 CB ILE X 43 4.081 2.872 0.024 1.00 0.00 C ATOM 705 CG1 ILE X 43 4.851 4.015 -0.646 1.00 0.00 C ATOM 706 CG2 ILE X 43 4.454 1.549 -0.629 1.00 0.00 C ATOM 707 CD1 ILE X 43 4.502 4.272 -2.090 1.00 0.00 C ATOM 0 H ILE X 43 2.498 4.783 1.221 1.00 0.00 H new ATOM 0 HA ILE X 43 2.279 2.947 -1.095 1.00 0.00 H new ATOM 0 HB ILE X 43 4.359 2.849 1.078 1.00 0.00 H new ATOM 0 HG12 ILE X 43 4.676 4.929 -0.079 1.00 0.00 H new ATOM 0 HG13 ILE X 43 5.917 3.799 -0.581 1.00 0.00 H new ATOM 0 HG21 ILE X 43 5.533 1.406 -0.571 1.00 0.00 H new ATOM 0 HG22 ILE X 43 3.952 0.733 -0.110 1.00 0.00 H new ATOM 0 HG23 ILE X 43 4.145 1.559 -1.674 1.00 0.00 H new ATOM 0 HD11 ILE X 43 5.103 5.099 -2.468 1.00 0.00 H new ATOM 0 HD12 ILE X 43 4.706 3.377 -2.678 1.00 0.00 H new ATOM 0 HD13 ILE X 43 3.445 4.525 -2.169 1.00 0.00 H new ATOM 719 N VAL X 44 1.331 1.085 0.306 1.00 0.00 N ATOM 720 CA VAL X 44 0.647 0.135 1.122 1.00 0.00 C ATOM 721 C VAL X 44 1.083 -1.257 0.690 1.00 0.00 C ATOM 722 O VAL X 44 1.228 -1.531 -0.526 1.00 0.00 O ATOM 723 CB VAL X 44 -0.884 0.257 0.957 1.00 0.00 C ATOM 724 CG1 VAL X 44 -1.654 -0.520 2.016 1.00 0.00 C ATOM 725 CG2 VAL X 44 -1.383 1.703 0.819 1.00 0.00 C ATOM 0 H VAL X 44 1.367 0.860 -0.688 1.00 0.00 H new ATOM 0 HA VAL X 44 0.892 0.320 2.168 1.00 0.00 H new ATOM 0 HB VAL X 44 -1.100 -0.216 -0.001 1.00 0.00 H new ATOM 0 HG11 VAL X 44 -2.724 -0.398 1.850 1.00 0.00 H new ATOM 0 HG12 VAL X 44 -1.395 -1.577 1.952 1.00 0.00 H new ATOM 0 HG13 VAL X 44 -1.394 -0.142 3.005 1.00 0.00 H new ATOM 0 HG21 VAL X 44 -2.467 1.705 0.707 1.00 0.00 H new ATOM 0 HG22 VAL X 44 -1.109 2.269 1.709 1.00 0.00 H new ATOM 0 HG23 VAL X 44 -0.927 2.163 -0.058 1.00 0.00 H new ATOM 735 N PHE X 45 1.336 -2.109 1.647 1.00 0.00 N ATOM 736 CA PHE X 45 1.710 -3.470 1.379 1.00 0.00 C ATOM 737 C PHE X 45 0.756 -4.334 2.134 1.00 0.00 C ATOM 738 O PHE X 45 0.565 -4.147 3.310 1.00 0.00 O ATOM 739 CB PHE X 45 3.133 -3.767 1.890 1.00 0.00 C ATOM 740 CG PHE X 45 4.259 -3.006 1.236 1.00 0.00 C ATOM 741 CD1 PHE X 45 4.112 -2.426 -0.012 1.00 0.00 C ATOM 742 CD2 PHE X 45 5.486 -2.909 1.864 1.00 0.00 C ATOM 743 CE1 PHE X 45 5.155 -1.767 -0.609 1.00 0.00 C ATOM 744 CE2 PHE X 45 6.540 -2.256 1.259 1.00 0.00 C ATOM 745 CZ PHE X 45 6.367 -1.684 0.022 1.00 0.00 C ATOM 0 H PHE X 45 1.288 -1.877 2.639 1.00 0.00 H new ATOM 0 HA PHE X 45 1.685 -3.654 0.305 1.00 0.00 H new ATOM 0 HB2 PHE X 45 3.160 -3.562 2.960 1.00 0.00 H new ATOM 0 HB3 PHE X 45 3.324 -4.833 1.765 1.00 0.00 H new ATOM 0 HD1 PHE X 45 3.163 -2.494 -0.522 1.00 0.00 H new ATOM 0 HD2 PHE X 45 5.622 -3.350 2.841 1.00 0.00 H new ATOM 0 HE1 PHE X 45 5.020 -1.312 -1.579 1.00 0.00 H new ATOM 0 HE2 PHE X 45 7.497 -2.195 1.756 1.00 0.00 H new ATOM 0 HZ PHE X 45 7.188 -1.168 -0.453 1.00 0.00 H new ATOM 755 N GLU X 46 0.191 -5.279 1.509 1.00 0.00 N ATOM 756 CA GLU X 46 -0.769 -6.104 2.184 1.00 0.00 C ATOM 757 C GLU X 46 -0.478 -7.506 1.809 1.00 0.00 C ATOM 758 O GLU X 46 0.125 -7.730 0.782 1.00 0.00 O ATOM 759 CB GLU X 46 -2.182 -5.704 1.762 1.00 0.00 C ATOM 760 CG GLU X 46 -2.451 -4.207 1.905 1.00 0.00 C ATOM 761 CD GLU X 46 -3.842 -3.833 1.580 1.00 0.00 C ATOM 762 OE1 GLU X 46 -4.188 -3.825 0.407 1.00 0.00 O ATOM 763 OE2 GLU X 46 -4.628 -3.563 2.506 1.00 0.00 O ATOM 0 H GLU X 46 0.361 -5.518 0.532 1.00 0.00 H new ATOM 0 HA GLU X 46 -0.705 -5.985 3.266 1.00 0.00 H new ATOM 0 HB2 GLU X 46 -2.341 -5.998 0.725 1.00 0.00 H new ATOM 0 HB3 GLU X 46 -2.904 -6.256 2.364 1.00 0.00 H new ATOM 0 HG2 GLU X 46 -2.228 -3.900 2.927 1.00 0.00 H new ATOM 0 HG3 GLU X 46 -1.772 -3.658 1.252 1.00 0.00 H new ATOM 770 N ASP X 47 -0.817 -8.445 2.619 1.00 0.00 N ATOM 771 CA ASP X 47 -0.532 -9.804 2.244 1.00 0.00 C ATOM 772 C ASP X 47 -1.814 -10.533 2.067 1.00 0.00 C ATOM 773 O ASP X 47 -2.766 -10.292 2.806 1.00 0.00 O ATOM 774 CB ASP X 47 0.402 -10.525 3.226 1.00 0.00 C ATOM 775 CG ASP X 47 -0.302 -11.309 4.280 1.00 0.00 C ATOM 776 OD1 ASP X 47 -0.775 -10.731 5.247 1.00 0.00 O ATOM 777 OD2 ASP X 47 -0.381 -12.553 4.142 1.00 0.00 O ATOM 0 H ASP X 47 -1.278 -8.316 3.520 1.00 0.00 H new ATOM 0 HA ASP X 47 0.015 -9.785 1.301 1.00 0.00 H new ATOM 0 HB2 ASP X 47 1.052 -11.196 2.664 1.00 0.00 H new ATOM 0 HB3 ASP X 47 1.044 -9.787 3.707 1.00 0.00 H new ATOM 782 N THR X 48 -1.844 -11.420 1.106 1.00 0.00 N ATOM 783 CA THR X 48 -3.055 -12.103 0.732 1.00 0.00 C ATOM 784 C THR X 48 -3.230 -13.412 1.512 1.00 0.00 C ATOM 785 O THR X 48 -4.320 -13.986 1.540 1.00 0.00 O ATOM 786 CB THR X 48 -3.109 -12.358 -0.818 1.00 0.00 C ATOM 787 OG1 THR X 48 -4.368 -12.937 -1.205 1.00 0.00 O ATOM 788 CG2 THR X 48 -1.967 -13.268 -1.279 1.00 0.00 C ATOM 0 H THR X 48 -1.026 -11.690 0.559 1.00 0.00 H new ATOM 0 HA THR X 48 -3.889 -11.452 0.994 1.00 0.00 H new ATOM 0 HB THR X 48 -2.999 -11.388 -1.302 1.00 0.00 H new ATOM 0 HG1 THR X 48 -4.798 -13.339 -0.421 1.00 0.00 H new ATOM 0 HG21 THR X 48 -2.037 -13.422 -2.356 1.00 0.00 H new ATOM 0 HG22 THR X 48 -1.011 -12.802 -1.040 1.00 0.00 H new ATOM 0 HG23 THR X 48 -2.039 -14.229 -0.770 1.00 0.00 H new ATOM 796 N VAL X 49 -2.184 -13.850 2.186 1.00 0.00 N ATOM 797 CA VAL X 49 -2.242 -15.107 2.913 1.00 0.00 C ATOM 798 C VAL X 49 -2.964 -14.900 4.233 1.00 0.00 C ATOM 799 O VAL X 49 -3.843 -15.669 4.615 1.00 0.00 O ATOM 800 CB VAL X 49 -0.826 -15.696 3.150 1.00 0.00 C ATOM 801 CG1 VAL X 49 -0.899 -17.047 3.857 1.00 0.00 C ATOM 802 CG2 VAL X 49 -0.074 -15.820 1.832 1.00 0.00 C ATOM 0 H VAL X 49 -1.291 -13.361 2.246 1.00 0.00 H new ATOM 0 HA VAL X 49 -2.794 -15.827 2.309 1.00 0.00 H new ATOM 0 HB VAL X 49 -0.281 -15.010 3.799 1.00 0.00 H new ATOM 0 HG11 VAL X 49 0.109 -17.433 4.009 1.00 0.00 H new ATOM 0 HG12 VAL X 49 -1.390 -16.926 4.822 1.00 0.00 H new ATOM 0 HG13 VAL X 49 -1.468 -17.747 3.245 1.00 0.00 H new ATOM 0 HG21 VAL X 49 0.917 -16.235 2.016 1.00 0.00 H new ATOM 0 HG22 VAL X 49 -0.624 -16.479 1.160 1.00 0.00 H new ATOM 0 HG23 VAL X 49 0.024 -14.835 1.375 1.00 0.00 H new ATOM 812 N ASN X 50 -2.609 -13.853 4.898 1.00 0.00 N ATOM 813 CA ASN X 50 -3.229 -13.483 6.168 1.00 0.00 C ATOM 814 C ASN X 50 -4.315 -12.480 5.924 1.00 0.00 C ATOM 815 O ASN X 50 -5.271 -12.374 6.699 1.00 0.00 O ATOM 816 CB ASN X 50 -2.191 -12.848 7.100 1.00 0.00 C ATOM 817 CG ASN X 50 -1.076 -13.782 7.469 1.00 0.00 C ATOM 818 OD1 ASN X 50 -1.159 -14.522 8.451 1.00 0.00 O ATOM 819 ND2 ASN X 50 -0.026 -13.759 6.694 1.00 0.00 N ATOM 0 H ASN X 50 -1.877 -13.212 4.591 1.00 0.00 H new ATOM 0 HA ASN X 50 -3.637 -14.383 6.628 1.00 0.00 H new ATOM 0 HB2 ASN X 50 -1.772 -11.965 6.618 1.00 0.00 H new ATOM 0 HB3 ASN X 50 -2.688 -12.509 8.009 1.00 0.00 H new ATOM 0 HD21 ASN X 50 0.767 -14.369 6.891 1.00 0.00 H new ATOM 0 HD22 ASN X 50 0.001 -13.131 5.891 1.00 0.00 H new ATOM 826 N LYS X 51 -4.188 -11.795 4.806 1.00 0.00 N ATOM 827 CA LYS X 51 -5.026 -10.682 4.448 1.00 0.00 C ATOM 828 C LYS X 51 -4.901 -9.575 5.452 1.00 0.00 C ATOM 829 O LYS X 51 -5.880 -9.030 5.968 1.00 0.00 O ATOM 830 CB LYS X 51 -6.442 -11.094 4.087 1.00 0.00 C ATOM 831 CG LYS X 51 -6.462 -11.866 2.781 1.00 0.00 C ATOM 832 CD LYS X 51 -7.833 -12.345 2.425 1.00 0.00 C ATOM 833 CE LYS X 51 -7.853 -13.002 1.041 1.00 0.00 C ATOM 834 NZ LYS X 51 -7.029 -14.233 0.960 1.00 0.00 N ATOM 0 H LYS X 51 -3.478 -12.008 4.106 1.00 0.00 H new ATOM 0 HA LYS X 51 -4.659 -10.260 3.512 1.00 0.00 H new ATOM 0 HB2 LYS X 51 -6.861 -11.708 4.884 1.00 0.00 H new ATOM 0 HB3 LYS X 51 -7.072 -10.209 4.001 1.00 0.00 H new ATOM 0 HG2 LYS X 51 -6.082 -11.231 1.981 1.00 0.00 H new ATOM 0 HG3 LYS X 51 -5.789 -12.720 2.856 1.00 0.00 H new ATOM 0 HD2 LYS X 51 -8.176 -13.059 3.174 1.00 0.00 H new ATOM 0 HD3 LYS X 51 -8.529 -11.506 2.442 1.00 0.00 H new ATOM 0 HE2 LYS X 51 -8.882 -13.245 0.777 1.00 0.00 H new ATOM 0 HE3 LYS X 51 -7.495 -12.285 0.302 1.00 0.00 H new ATOM 0 HZ1 LYS X 51 -7.127 -14.654 0.014 1.00 0.00 H new ATOM 0 HZ2 LYS X 51 -6.031 -13.995 1.132 1.00 0.00 H new ATOM 0 HZ3 LYS X 51 -7.351 -14.914 1.677 1.00 0.00 H new ATOM 848 N GLU X 52 -3.650 -9.253 5.708 1.00 0.00 N ATOM 849 CA GLU X 52 -3.287 -8.207 6.637 1.00 0.00 C ATOM 850 C GLU X 52 -2.922 -6.981 5.862 1.00 0.00 C ATOM 851 O GLU X 52 -2.338 -7.087 4.779 1.00 0.00 O ATOM 852 CB GLU X 52 -2.114 -8.615 7.542 1.00 0.00 C ATOM 853 CG GLU X 52 -2.444 -9.626 8.605 1.00 0.00 C ATOM 854 CD GLU X 52 -1.268 -9.867 9.524 1.00 0.00 C ATOM 855 OE1 GLU X 52 -1.055 -9.058 10.461 1.00 0.00 O ATOM 856 OE2 GLU X 52 -0.540 -10.870 9.342 1.00 0.00 O ATOM 0 H GLU X 52 -2.851 -9.715 5.273 1.00 0.00 H new ATOM 0 HA GLU X 52 -4.143 -8.015 7.284 1.00 0.00 H new ATOM 0 HB2 GLU X 52 -1.317 -9.017 6.917 1.00 0.00 H new ATOM 0 HB3 GLU X 52 -1.720 -7.720 8.024 1.00 0.00 H new ATOM 0 HG2 GLU X 52 -3.297 -9.278 9.187 1.00 0.00 H new ATOM 0 HG3 GLU X 52 -2.740 -10.565 8.137 1.00 0.00 H new ATOM 863 N CYS X 53 -3.230 -5.834 6.397 1.00 0.00 N ATOM 864 CA CYS X 53 -2.966 -4.618 5.715 1.00 0.00 C ATOM 865 C CYS X 53 -1.894 -3.840 6.418 1.00 0.00 C ATOM 866 O CYS X 53 -2.032 -3.507 7.594 1.00 0.00 O ATOM 867 CB CYS X 53 -4.268 -3.796 5.502 1.00 0.00 C ATOM 868 SG CYS X 53 -5.521 -3.900 6.856 1.00 0.00 S ATOM 0 H CYS X 53 -3.668 -5.725 7.312 1.00 0.00 H new ATOM 0 HA CYS X 53 -2.588 -4.852 4.720 1.00 0.00 H new ATOM 0 HB2 CYS X 53 -3.995 -2.749 5.366 1.00 0.00 H new ATOM 0 HB3 CYS X 53 -4.736 -4.127 4.575 1.00 0.00 H new ATOM 873 N TYR X 54 -0.830 -3.542 5.703 1.00 0.00 N ATOM 874 CA TYR X 54 0.258 -2.789 6.245 1.00 0.00 C ATOM 875 C TYR X 54 0.330 -1.557 5.420 1.00 0.00 C ATOM 876 O TYR X 54 0.419 -1.601 4.206 1.00 0.00 O ATOM 877 CB TYR X 54 1.623 -3.534 6.078 1.00 0.00 C ATOM 878 CG TYR X 54 1.814 -4.834 6.841 1.00 0.00 C ATOM 879 CD1 TYR X 54 1.012 -5.945 6.605 1.00 0.00 C ATOM 880 CD2 TYR X 54 2.814 -4.942 7.803 1.00 0.00 C ATOM 881 CE1 TYR X 54 1.200 -7.120 7.307 1.00 0.00 C ATOM 882 CE2 TYR X 54 3.005 -6.115 8.509 1.00 0.00 C ATOM 883 CZ TYR X 54 2.197 -7.200 8.257 1.00 0.00 C ATOM 884 OH TYR X 54 2.368 -8.365 8.978 1.00 0.00 O ATOM 0 H TYR X 54 -0.704 -3.820 4.730 1.00 0.00 H new ATOM 0 HA TYR X 54 0.094 -2.612 7.308 1.00 0.00 H new ATOM 0 HB2 TYR X 54 1.764 -3.743 5.018 1.00 0.00 H new ATOM 0 HB3 TYR X 54 2.418 -2.850 6.376 1.00 0.00 H new ATOM 0 HD1 TYR X 54 0.230 -5.889 5.862 1.00 0.00 H new ATOM 0 HD2 TYR X 54 3.452 -4.094 8.002 1.00 0.00 H new ATOM 0 HE1 TYR X 54 0.568 -7.974 7.112 1.00 0.00 H new ATOM 0 HE2 TYR X 54 3.784 -6.180 9.254 1.00 0.00 H new ATOM 0 HH TYR X 54 3.232 -8.340 9.440 1.00 0.00 H new ATOM 894 N TYR X 55 0.315 -0.484 6.046 1.00 0.00 N ATOM 895 CA TYR X 55 0.336 0.751 5.345 1.00 0.00 C ATOM 896 C TYR X 55 1.562 1.511 5.660 1.00 0.00 C ATOM 897 O TYR X 55 1.983 1.569 6.830 1.00 0.00 O ATOM 898 CB TYR X 55 -0.960 1.550 5.571 1.00 0.00 C ATOM 899 CG TYR X 55 -1.500 1.463 6.978 1.00 0.00 C ATOM 900 CD1 TYR X 55 -2.357 0.426 7.338 1.00 0.00 C ATOM 901 CD2 TYR X 55 -1.153 2.386 7.941 1.00 0.00 C ATOM 902 CE1 TYR X 55 -2.847 0.318 8.611 1.00 0.00 C ATOM 903 CE2 TYR X 55 -1.642 2.279 9.220 1.00 0.00 C ATOM 904 CZ TYR X 55 -2.492 1.238 9.548 1.00 0.00 C ATOM 905 OH TYR X 55 -2.982 1.130 10.825 1.00 0.00 O ATOM 0 H TYR X 55 0.288 -0.405 7.063 1.00 0.00 H new ATOM 0 HA TYR X 55 0.369 0.545 4.275 1.00 0.00 H new ATOM 0 HB2 TYR X 55 -0.776 2.597 5.328 1.00 0.00 H new ATOM 0 HB3 TYR X 55 -1.721 1.191 4.878 1.00 0.00 H new ATOM 0 HD1 TYR X 55 -2.640 -0.308 6.598 1.00 0.00 H new ATOM 0 HD2 TYR X 55 -0.491 3.201 7.688 1.00 0.00 H new ATOM 0 HE1 TYR X 55 -3.512 -0.493 8.870 1.00 0.00 H new ATOM 0 HE2 TYR X 55 -1.363 3.006 9.968 1.00 0.00 H new ATOM 0 HH TYR X 55 -2.332 1.502 11.457 1.00 0.00 H new ATOM 915 N ASN X 56 2.179 2.032 4.627 1.00 0.00 N ATOM 916 CA ASN X 56 3.399 2.804 4.799 1.00 0.00 C ATOM 917 C ASN X 56 3.065 4.158 5.258 1.00 0.00 C ATOM 918 O ASN X 56 2.355 4.918 4.555 1.00 0.00 O ATOM 919 CB ASN X 56 4.234 2.874 3.533 1.00 0.00 C ATOM 920 CG ASN X 56 5.464 3.758 3.675 1.00 0.00 C ATOM 921 OD1 ASN X 56 6.046 3.881 4.744 1.00 0.00 O ATOM 922 ND2 ASN X 56 5.857 4.370 2.604 1.00 0.00 N ATOM 0 H ASN X 56 1.864 1.940 3.661 1.00 0.00 H new ATOM 0 HA ASN X 56 4.004 2.292 5.548 1.00 0.00 H new ATOM 0 HB2 ASN X 56 4.548 1.868 3.256 1.00 0.00 H new ATOM 0 HB3 ASN X 56 3.616 3.251 2.718 1.00 0.00 H new ATOM 0 HD21 ASN X 56 6.676 4.978 2.635 1.00 0.00 H new ATOM 0 HD22 ASN X 56 5.348 4.245 1.729 1.00 0.00 H new ATOM 929 N VAL X 57 3.609 4.486 6.395 1.00 0.00 N ATOM 930 CA VAL X 57 3.272 5.742 7.028 1.00 0.00 C ATOM 931 C VAL X 57 4.383 6.758 6.886 1.00 0.00 C ATOM 932 O VAL X 57 4.207 7.942 7.208 1.00 0.00 O ATOM 933 CB VAL X 57 2.856 5.574 8.519 1.00 0.00 C ATOM 934 CG1 VAL X 57 1.562 4.787 8.628 1.00 0.00 C ATOM 935 CG2 VAL X 57 3.952 4.889 9.324 1.00 0.00 C ATOM 0 H VAL X 57 4.282 3.912 6.903 1.00 0.00 H new ATOM 0 HA VAL X 57 2.399 6.121 6.497 1.00 0.00 H new ATOM 0 HB VAL X 57 2.700 6.570 8.933 1.00 0.00 H new ATOM 0 HG11 VAL X 57 1.288 4.680 9.678 1.00 0.00 H new ATOM 0 HG12 VAL X 57 0.769 5.315 8.098 1.00 0.00 H new ATOM 0 HG13 VAL X 57 1.698 3.800 8.187 1.00 0.00 H new ATOM 0 HG21 VAL X 57 3.632 4.786 10.361 1.00 0.00 H new ATOM 0 HG22 VAL X 57 4.148 3.902 8.905 1.00 0.00 H new ATOM 0 HG23 VAL X 57 4.862 5.488 9.283 1.00 0.00 H new ATOM 945 N VAL X 58 5.512 6.308 6.402 1.00 0.00 N ATOM 946 CA VAL X 58 6.658 7.179 6.212 1.00 0.00 C ATOM 947 C VAL X 58 6.904 7.286 4.705 1.00 0.00 C ATOM 948 O VAL X 58 6.040 6.904 3.913 1.00 0.00 O ATOM 949 CB VAL X 58 7.920 6.644 7.008 1.00 0.00 C ATOM 950 CG1 VAL X 58 9.054 7.671 7.116 1.00 0.00 C ATOM 951 CG2 VAL X 58 7.521 6.204 8.396 1.00 0.00 C ATOM 0 H VAL X 58 5.669 5.338 6.129 1.00 0.00 H new ATOM 0 HA VAL X 58 6.466 8.173 6.615 1.00 0.00 H new ATOM 0 HB VAL X 58 8.299 5.799 6.433 1.00 0.00 H new ATOM 0 HG11 VAL X 58 9.885 7.238 7.673 1.00 0.00 H new ATOM 0 HG12 VAL X 58 9.391 7.947 6.117 1.00 0.00 H new ATOM 0 HG13 VAL X 58 8.693 8.559 7.635 1.00 0.00 H new ATOM 0 HG21 VAL X 58 8.399 5.840 8.929 1.00 0.00 H new ATOM 0 HG22 VAL X 58 7.093 7.048 8.936 1.00 0.00 H new ATOM 0 HG23 VAL X 58 6.782 5.406 8.326 1.00 0.00 H new ATOM 961 N ASP X 59 8.001 7.863 4.315 1.00 0.00 N ATOM 962 CA ASP X 59 8.342 8.038 2.942 1.00 0.00 C ATOM 963 C ASP X 59 8.430 6.719 2.244 1.00 0.00 C ATOM 964 O ASP X 59 8.955 5.737 2.750 1.00 0.00 O ATOM 965 CB ASP X 59 9.651 8.839 2.726 1.00 0.00 C ATOM 966 CG ASP X 59 10.914 8.146 3.246 1.00 0.00 C ATOM 967 OD1 ASP X 59 11.574 7.393 2.494 1.00 0.00 O ATOM 968 OD2 ASP X 59 11.287 8.374 4.413 1.00 0.00 O ATOM 0 H ASP X 59 8.698 8.233 4.961 1.00 0.00 H new ATOM 0 HA ASP X 59 7.536 8.630 2.509 1.00 0.00 H new ATOM 0 HB2 ASP X 59 9.771 9.033 1.660 1.00 0.00 H new ATOM 0 HB3 ASP X 59 9.555 9.807 3.218 1.00 0.00 H new ATOM 973 N GLY X 60 7.841 6.702 1.143 1.00 0.00 N ATOM 974 CA GLY X 60 7.821 5.574 0.304 1.00 0.00 C ATOM 975 C GLY X 60 7.806 5.982 -1.132 1.00 0.00 C ATOM 976 O GLY X 60 7.636 5.161 -2.007 1.00 0.00 O ATOM 0 H GLY X 60 7.331 7.502 0.769 1.00 0.00 H new ATOM 0 HA2 GLY X 60 8.695 4.953 0.501 1.00 0.00 H new ATOM 0 HA3 GLY X 60 6.943 4.967 0.524 1.00 0.00 H new ATOM 980 N GLU X 61 8.004 7.266 -1.381 1.00 0.00 N ATOM 981 CA GLU X 61 8.115 7.780 -2.736 1.00 0.00 C ATOM 982 C GLU X 61 9.404 7.288 -3.339 1.00 0.00 C ATOM 983 O GLU X 61 9.574 7.231 -4.549 1.00 0.00 O ATOM 984 CB GLU X 61 8.028 9.301 -2.729 1.00 0.00 C ATOM 985 CG GLU X 61 8.997 9.985 -1.776 1.00 0.00 C ATOM 986 CD GLU X 61 8.649 11.424 -1.589 1.00 0.00 C ATOM 987 OE1 GLU X 61 7.700 11.713 -0.842 1.00 0.00 O ATOM 988 OE2 GLU X 61 9.285 12.290 -2.215 1.00 0.00 O ATOM 0 H GLU X 61 8.092 7.977 -0.655 1.00 0.00 H new ATOM 0 HA GLU X 61 7.290 7.417 -3.349 1.00 0.00 H new ATOM 0 HB2 GLU X 61 8.212 9.667 -3.739 1.00 0.00 H new ATOM 0 HB3 GLU X 61 7.012 9.593 -2.465 1.00 0.00 H new ATOM 0 HG2 GLU X 61 8.982 9.477 -0.812 1.00 0.00 H new ATOM 0 HG3 GLU X 61 10.012 9.902 -2.164 1.00 0.00 H new ATOM 995 N GLU X 62 10.305 6.909 -2.458 1.00 0.00 N ATOM 996 CA GLU X 62 11.538 6.323 -2.830 1.00 0.00 C ATOM 997 C GLU X 62 11.348 4.849 -3.130 1.00 0.00 C ATOM 998 O GLU X 62 12.263 4.200 -3.638 1.00 0.00 O ATOM 999 CB GLU X 62 12.569 6.489 -1.722 1.00 0.00 C ATOM 1000 CG GLU X 62 12.884 7.926 -1.365 1.00 0.00 C ATOM 1001 CD GLU X 62 13.386 8.716 -2.541 1.00 0.00 C ATOM 1002 OE1 GLU X 62 14.536 8.514 -2.971 1.00 0.00 O ATOM 1003 OE2 GLU X 62 12.645 9.572 -3.042 1.00 0.00 O ATOM 0 H GLU X 62 10.182 7.009 -1.450 1.00 0.00 H new ATOM 0 HA GLU X 62 11.899 6.830 -3.725 1.00 0.00 H new ATOM 0 HB2 GLU X 62 12.210 5.977 -0.829 1.00 0.00 H new ATOM 0 HB3 GLU X 62 13.491 5.993 -2.024 1.00 0.00 H new ATOM 0 HG2 GLU X 62 11.988 8.403 -0.967 1.00 0.00 H new ATOM 0 HG3 GLU X 62 13.633 7.944 -0.573 1.00 0.00 H new ATOM 1010 N LEU X 63 10.179 4.284 -2.789 1.00 0.00 N ATOM 1011 CA LEU X 63 9.998 2.881 -3.074 1.00 0.00 C ATOM 1012 C LEU X 63 9.555 2.710 -4.511 1.00 0.00 C ATOM 1013 O LEU X 63 8.429 3.037 -4.861 1.00 0.00 O ATOM 1014 CB LEU X 63 9.017 2.213 -2.087 1.00 0.00 C ATOM 1015 CG LEU X 63 9.427 2.253 -0.611 1.00 0.00 C ATOM 1016 CD1 LEU X 63 8.342 1.645 0.258 1.00 0.00 C ATOM 1017 CD2 LEU X 63 10.751 1.522 -0.402 1.00 0.00 C ATOM 0 H LEU X 63 9.394 4.757 -2.341 1.00 0.00 H new ATOM 0 HA LEU X 63 10.953 2.373 -2.940 1.00 0.00 H new ATOM 0 HB2 LEU X 63 8.045 2.695 -2.188 1.00 0.00 H new ATOM 0 HB3 LEU X 63 8.888 1.171 -2.381 1.00 0.00 H new ATOM 0 HG LEU X 63 9.560 3.295 -0.319 1.00 0.00 H new ATOM 0 HD11 LEU X 63 8.650 1.682 1.303 1.00 0.00 H new ATOM 0 HD12 LEU X 63 7.417 2.208 0.132 1.00 0.00 H new ATOM 0 HD13 LEU X 63 8.179 0.608 -0.036 1.00 0.00 H new ATOM 0 HD21 LEU X 63 11.026 1.561 0.652 1.00 0.00 H new ATOM 0 HD22 LEU X 63 10.645 0.482 -0.711 1.00 0.00 H new ATOM 0 HD23 LEU X 63 11.529 2.000 -0.998 1.00 0.00 H new ATOM 1029 N ASP X 64 10.480 2.311 -5.345 1.00 0.00 N ATOM 1030 CA ASP X 64 10.191 2.010 -6.731 1.00 0.00 C ATOM 1031 C ASP X 64 9.992 0.534 -6.898 1.00 0.00 C ATOM 1032 O ASP X 64 10.922 -0.252 -6.661 1.00 0.00 O ATOM 1033 CB ASP X 64 11.274 2.507 -7.674 1.00 0.00 C ATOM 1034 CG ASP X 64 11.301 4.001 -7.864 1.00 0.00 C ATOM 1035 OD1 ASP X 64 10.553 4.523 -8.724 1.00 0.00 O ATOM 1036 OD2 ASP X 64 12.122 4.676 -7.216 1.00 0.00 O ATOM 0 H ASP X 64 11.458 2.184 -5.086 1.00 0.00 H new ATOM 0 HA ASP X 64 9.275 2.538 -6.996 1.00 0.00 H new ATOM 0 HB2 ASP X 64 12.244 2.184 -7.295 1.00 0.00 H new ATOM 0 HB3 ASP X 64 11.137 2.032 -8.646 1.00 0.00 H new ATOM 1041 N GLN X 65 8.839 0.176 -7.390 1.00 0.00 N ATOM 1042 CA GLN X 65 8.354 -1.217 -7.499 1.00 0.00 C ATOM 1043 C GLN X 65 9.274 -2.043 -8.388 1.00 0.00 C ATOM 1044 O GLN X 65 9.415 -3.252 -8.240 1.00 0.00 O ATOM 1045 CB GLN X 65 6.974 -1.250 -8.165 1.00 0.00 C ATOM 1046 CG GLN X 65 6.088 -0.027 -7.976 1.00 0.00 C ATOM 1047 CD GLN X 65 5.810 0.338 -6.533 1.00 0.00 C ATOM 1048 OE1 GLN X 65 6.514 1.123 -5.939 1.00 0.00 O ATOM 1049 NE2 GLN X 65 4.786 -0.223 -5.975 1.00 0.00 N ATOM 0 H GLN X 65 8.167 0.856 -7.747 1.00 0.00 H new ATOM 0 HA GLN X 65 8.320 -1.622 -6.487 1.00 0.00 H new ATOM 0 HB2 GLN X 65 7.117 -1.403 -9.235 1.00 0.00 H new ATOM 0 HB3 GLN X 65 6.436 -2.120 -7.788 1.00 0.00 H new ATOM 0 HG2 GLN X 65 6.558 0.825 -8.467 1.00 0.00 H new ATOM 0 HG3 GLN X 65 5.138 -0.202 -8.481 1.00 0.00 H new ATOM 0 HE21 GLN X 65 4.213 -0.880 -6.504 1.00 0.00 H new ATOM 0 HE22 GLN X 65 4.552 -0.008 -5.006 1.00 0.00 H new ATOM 1058 N GLU X 66 9.889 -1.374 -9.313 1.00 0.00 N ATOM 1059 CA GLU X 66 10.731 -2.004 -10.303 1.00 0.00 C ATOM 1060 C GLU X 66 12.041 -2.473 -9.682 1.00 0.00 C ATOM 1061 O GLU X 66 12.677 -3.388 -10.182 1.00 0.00 O ATOM 1062 CB GLU X 66 11.022 -1.057 -11.473 1.00 0.00 C ATOM 1063 CG GLU X 66 9.880 -0.113 -11.840 1.00 0.00 C ATOM 1064 CD GLU X 66 9.833 1.080 -10.934 1.00 0.00 C ATOM 1065 OE1 GLU X 66 10.758 1.905 -10.987 1.00 0.00 O ATOM 1066 OE2 GLU X 66 8.904 1.181 -10.120 1.00 0.00 O ATOM 0 H GLU X 66 9.825 -0.361 -9.410 1.00 0.00 H new ATOM 0 HA GLU X 66 10.190 -2.869 -10.686 1.00 0.00 H new ATOM 0 HB2 GLU X 66 11.901 -0.461 -11.228 1.00 0.00 H new ATOM 0 HB3 GLU X 66 11.275 -1.654 -12.349 1.00 0.00 H new ATOM 0 HG2 GLU X 66 9.999 0.218 -12.872 1.00 0.00 H new ATOM 0 HG3 GLU X 66 8.933 -0.649 -11.785 1.00 0.00 H new ATOM 1073 N LYS X 67 12.433 -1.855 -8.580 1.00 0.00 N ATOM 1074 CA LYS X 67 13.662 -2.237 -7.897 1.00 0.00 C ATOM 1075 C LYS X 67 13.356 -3.266 -6.815 1.00 0.00 C ATOM 1076 O LYS X 67 14.236 -3.767 -6.123 1.00 0.00 O ATOM 1077 CB LYS X 67 14.437 -1.015 -7.347 1.00 0.00 C ATOM 1078 CG LYS X 67 14.963 -0.062 -8.437 1.00 0.00 C ATOM 1079 CD LYS X 67 13.875 0.853 -9.010 1.00 0.00 C ATOM 1080 CE LYS X 67 14.333 1.520 -10.296 1.00 0.00 C ATOM 1081 NZ LYS X 67 13.346 2.497 -10.832 1.00 0.00 N ATOM 0 H LYS X 67 11.922 -1.090 -8.139 1.00 0.00 H new ATOM 0 HA LYS X 67 14.327 -2.698 -8.627 1.00 0.00 H new ATOM 0 HB2 LYS X 67 13.785 -0.457 -6.675 1.00 0.00 H new ATOM 0 HB3 LYS X 67 15.279 -1.370 -6.752 1.00 0.00 H new ATOM 0 HG2 LYS X 67 15.763 0.551 -8.021 1.00 0.00 H new ATOM 0 HG3 LYS X 67 15.399 -0.649 -9.245 1.00 0.00 H new ATOM 0 HD2 LYS X 67 12.972 0.272 -9.201 1.00 0.00 H new ATOM 0 HD3 LYS X 67 13.614 1.615 -8.276 1.00 0.00 H new ATOM 0 HE2 LYS X 67 15.279 2.030 -10.116 1.00 0.00 H new ATOM 0 HE3 LYS X 67 14.522 0.754 -11.048 1.00 0.00 H new ATOM 0 HZ1 LYS X 67 13.722 2.930 -11.699 1.00 0.00 H new ATOM 0 HZ2 LYS X 67 12.455 2.007 -11.048 1.00 0.00 H new ATOM 0 HZ3 LYS X 67 13.170 3.237 -10.123 1.00 0.00 H new ATOM 1095 N PHE X 68 12.103 -3.576 -6.721 1.00 0.00 N ATOM 1096 CA PHE X 68 11.571 -4.594 -5.866 1.00 0.00 C ATOM 1097 C PHE X 68 11.756 -5.967 -6.481 1.00 0.00 C ATOM 1098 O PHE X 68 11.771 -6.115 -7.703 1.00 0.00 O ATOM 1099 CB PHE X 68 10.111 -4.348 -5.492 1.00 0.00 C ATOM 1100 CG PHE X 68 9.911 -3.454 -4.301 1.00 0.00 C ATOM 1101 CD1 PHE X 68 9.912 -2.085 -4.403 1.00 0.00 C ATOM 1102 CD2 PHE X 68 9.698 -4.013 -3.080 1.00 0.00 C ATOM 1103 CE1 PHE X 68 9.696 -1.301 -3.284 1.00 0.00 C ATOM 1104 CE2 PHE X 68 9.490 -3.257 -1.960 1.00 0.00 C ATOM 1105 CZ PHE X 68 9.483 -1.906 -2.051 1.00 0.00 C ATOM 0 H PHE X 68 11.383 -3.102 -7.267 1.00 0.00 H new ATOM 0 HA PHE X 68 12.138 -4.553 -4.936 1.00 0.00 H new ATOM 0 HB2 PHE X 68 9.599 -3.909 -6.349 1.00 0.00 H new ATOM 0 HB3 PHE X 68 9.634 -5.308 -5.293 1.00 0.00 H new ATOM 0 HD1 PHE X 68 10.082 -1.618 -5.362 1.00 0.00 H new ATOM 0 HD2 PHE X 68 9.693 -5.089 -2.992 1.00 0.00 H new ATOM 0 HE1 PHE X 68 9.693 -0.224 -3.368 1.00 0.00 H new ATOM 0 HE2 PHE X 68 9.332 -3.736 -1.005 1.00 0.00 H new ATOM 0 HZ PHE X 68 9.313 -1.303 -1.171 1.00 0.00 H new ATOM 1115 N VAL X 69 11.847 -6.954 -5.637 1.00 0.00 N ATOM 1116 CA VAL X 69 12.100 -8.336 -6.016 1.00 0.00 C ATOM 1117 C VAL X 69 10.811 -9.025 -5.636 1.00 0.00 C ATOM 1118 O VAL X 69 10.022 -8.426 -4.992 1.00 0.00 O ATOM 1119 CB VAL X 69 13.275 -8.919 -5.151 1.00 0.00 C ATOM 1120 CG1 VAL X 69 13.563 -10.377 -5.477 1.00 0.00 C ATOM 1121 CG2 VAL X 69 14.534 -8.085 -5.311 1.00 0.00 C ATOM 0 H VAL X 69 11.745 -6.827 -4.630 1.00 0.00 H new ATOM 0 HA VAL X 69 12.376 -8.457 -7.064 1.00 0.00 H new ATOM 0 HB VAL X 69 12.952 -8.874 -4.111 1.00 0.00 H new ATOM 0 HG11 VAL X 69 14.383 -10.734 -4.853 1.00 0.00 H new ATOM 0 HG12 VAL X 69 12.673 -10.976 -5.284 1.00 0.00 H new ATOM 0 HG13 VAL X 69 13.840 -10.467 -6.527 1.00 0.00 H new ATOM 0 HG21 VAL X 69 15.332 -8.510 -4.702 1.00 0.00 H new ATOM 0 HG22 VAL X 69 14.838 -8.083 -6.358 1.00 0.00 H new ATOM 0 HG23 VAL X 69 14.337 -7.063 -4.988 1.00 0.00 H new ATOM 1131 N VAL X 70 10.544 -10.191 -6.080 1.00 0.00 N ATOM 1132 CA VAL X 70 9.206 -10.714 -5.913 1.00 0.00 C ATOM 1133 C VAL X 70 8.980 -11.482 -4.604 1.00 0.00 C ATOM 1134 O VAL X 70 9.631 -12.489 -4.347 1.00 0.00 O ATOM 1135 CB VAL X 70 8.846 -11.632 -7.065 1.00 0.00 C ATOM 1136 CG1 VAL X 70 7.402 -12.137 -6.982 1.00 0.00 C ATOM 1137 CG2 VAL X 70 9.165 -11.026 -8.428 1.00 0.00 C ATOM 0 H VAL X 70 11.204 -10.807 -6.555 1.00 0.00 H new ATOM 0 HA VAL X 70 8.566 -9.832 -5.887 1.00 0.00 H new ATOM 0 HB VAL X 70 9.490 -12.505 -6.962 1.00 0.00 H new ATOM 0 HG11 VAL X 70 7.196 -12.790 -7.830 1.00 0.00 H new ATOM 0 HG12 VAL X 70 7.263 -12.692 -6.054 1.00 0.00 H new ATOM 0 HG13 VAL X 70 6.718 -11.289 -7.003 1.00 0.00 H new ATOM 0 HG21 VAL X 70 8.886 -11.729 -9.213 1.00 0.00 H new ATOM 0 HG22 VAL X 70 8.605 -10.099 -8.554 1.00 0.00 H new ATOM 0 HG23 VAL X 70 10.233 -10.816 -8.492 1.00 0.00 H new ATOM 1147 N ASP X 71 8.096 -10.970 -3.785 1.00 0.00 N ATOM 1148 CA ASP X 71 7.528 -11.704 -2.675 1.00 0.00 C ATOM 1149 C ASP X 71 6.164 -12.122 -3.159 1.00 0.00 C ATOM 1150 O ASP X 71 5.432 -11.297 -3.702 1.00 0.00 O ATOM 1151 CB ASP X 71 7.390 -10.819 -1.454 1.00 0.00 C ATOM 1152 CG ASP X 71 6.791 -11.526 -0.283 1.00 0.00 C ATOM 1153 OD1 ASP X 71 5.563 -11.627 -0.228 1.00 0.00 O ATOM 1154 OD2 ASP X 71 7.554 -11.984 0.612 1.00 0.00 O ATOM 0 H ASP X 71 7.743 -10.017 -3.869 1.00 0.00 H new ATOM 0 HA ASP X 71 8.154 -12.547 -2.383 1.00 0.00 H new ATOM 0 HB2 ASP X 71 8.372 -10.437 -1.177 1.00 0.00 H new ATOM 0 HB3 ASP X 71 6.772 -9.957 -1.705 1.00 0.00 H new ATOM 1159 N GLU X 72 5.840 -13.366 -3.006 1.00 0.00 N ATOM 1160 CA GLU X 72 4.641 -13.918 -3.611 1.00 0.00 C ATOM 1161 C GLU X 72 3.471 -13.985 -2.604 1.00 0.00 C ATOM 1162 O GLU X 72 2.406 -14.550 -2.894 1.00 0.00 O ATOM 1163 CB GLU X 72 5.008 -15.303 -4.141 1.00 0.00 C ATOM 1164 CG GLU X 72 4.056 -15.932 -5.129 1.00 0.00 C ATOM 1165 CD GLU X 72 4.573 -17.268 -5.581 1.00 0.00 C ATOM 1166 OE1 GLU X 72 5.525 -17.305 -6.390 1.00 0.00 O ATOM 1167 OE2 GLU X 72 4.064 -18.306 -5.115 1.00 0.00 O ATOM 0 H GLU X 72 6.386 -14.035 -2.464 1.00 0.00 H new ATOM 0 HA GLU X 72 4.294 -13.278 -4.422 1.00 0.00 H new ATOM 0 HB2 GLU X 72 5.989 -15.237 -4.611 1.00 0.00 H new ATOM 0 HB3 GLU X 72 5.107 -15.976 -3.290 1.00 0.00 H new ATOM 0 HG2 GLU X 72 3.074 -16.051 -4.671 1.00 0.00 H new ATOM 0 HG3 GLU X 72 3.929 -15.275 -5.989 1.00 0.00 H new ATOM 1174 N ASN X 73 3.653 -13.410 -1.435 1.00 0.00 N ATOM 1175 CA ASN X 73 2.590 -13.440 -0.446 1.00 0.00 C ATOM 1176 C ASN X 73 2.058 -12.041 -0.141 1.00 0.00 C ATOM 1177 O ASN X 73 0.922 -11.891 0.333 1.00 0.00 O ATOM 1178 CB ASN X 73 2.996 -14.227 0.831 1.00 0.00 C ATOM 1179 CG ASN X 73 4.146 -13.623 1.597 1.00 0.00 C ATOM 1180 OD1 ASN X 73 3.948 -12.838 2.538 1.00 0.00 O ATOM 1181 ND2 ASN X 73 5.345 -14.003 1.237 1.00 0.00 N ATOM 0 H ASN X 73 4.504 -12.926 -1.147 1.00 0.00 H new ATOM 0 HA ASN X 73 1.760 -13.994 -0.884 1.00 0.00 H new ATOM 0 HB2 ASN X 73 2.131 -14.295 1.491 1.00 0.00 H new ATOM 0 HB3 ASN X 73 3.260 -15.246 0.546 1.00 0.00 H new ATOM 0 HD21 ASN X 73 6.162 -13.652 1.736 1.00 0.00 H new ATOM 0 HD22 ASN X 73 5.462 -14.650 0.457 1.00 0.00 H new ATOM 1188 N PHE X 74 2.856 -11.029 -0.443 1.00 0.00 N ATOM 1189 CA PHE X 74 2.453 -9.637 -0.296 1.00 0.00 C ATOM 1190 C PHE X 74 2.096 -9.006 -1.635 1.00 0.00 C ATOM 1191 O PHE X 74 2.617 -9.382 -2.661 1.00 0.00 O ATOM 1192 CB PHE X 74 3.546 -8.796 0.392 1.00 0.00 C ATOM 1193 CG PHE X 74 3.438 -8.738 1.887 1.00 0.00 C ATOM 1194 CD1 PHE X 74 3.917 -9.753 2.681 1.00 0.00 C ATOM 1195 CD2 PHE X 74 2.835 -7.653 2.492 1.00 0.00 C ATOM 1196 CE1 PHE X 74 3.789 -9.694 4.058 1.00 0.00 C ATOM 1197 CE2 PHE X 74 2.706 -7.579 3.860 1.00 0.00 C ATOM 1198 CZ PHE X 74 3.180 -8.601 4.649 1.00 0.00 C ATOM 0 H PHE X 74 3.805 -11.149 -0.798 1.00 0.00 H new ATOM 0 HA PHE X 74 1.564 -9.642 0.335 1.00 0.00 H new ATOM 0 HB2 PHE X 74 4.521 -9.204 0.126 1.00 0.00 H new ATOM 0 HB3 PHE X 74 3.507 -7.780 -0.002 1.00 0.00 H new ATOM 0 HD1 PHE X 74 4.398 -10.606 2.225 1.00 0.00 H new ATOM 0 HD2 PHE X 74 2.457 -6.847 1.880 1.00 0.00 H new ATOM 0 HE1 PHE X 74 4.164 -10.500 4.671 1.00 0.00 H new ATOM 0 HE2 PHE X 74 2.233 -6.720 4.313 1.00 0.00 H new ATOM 0 HZ PHE X 74 3.078 -8.551 5.723 1.00 0.00 H new ATOM 1208 N THR X 75 1.279 -7.989 -1.581 1.00 0.00 N ATOM 1209 CA THR X 75 0.799 -7.279 -2.722 1.00 0.00 C ATOM 1210 C THR X 75 1.302 -5.857 -2.591 1.00 0.00 C ATOM 1211 O THR X 75 1.304 -5.279 -1.485 1.00 0.00 O ATOM 1212 CB THR X 75 -0.766 -7.294 -2.716 1.00 0.00 C ATOM 1213 OG1 THR X 75 -1.265 -6.695 -1.518 1.00 0.00 O ATOM 1214 CG2 THR X 75 -1.284 -8.723 -2.801 1.00 0.00 C ATOM 0 H THR X 75 0.918 -7.622 -0.700 1.00 0.00 H new ATOM 0 HA THR X 75 1.145 -7.730 -3.652 1.00 0.00 H new ATOM 0 HB THR X 75 -1.111 -6.727 -3.581 1.00 0.00 H new ATOM 0 HG1 THR X 75 -0.889 -7.157 -0.740 1.00 0.00 H new ATOM 0 HG21 THR X 75 -2.374 -8.716 -2.796 1.00 0.00 H new ATOM 0 HG22 THR X 75 -0.929 -9.185 -3.722 1.00 0.00 H new ATOM 0 HG23 THR X 75 -0.921 -9.293 -1.946 1.00 0.00 H new ATOM 1222 N GLU X 76 1.821 -5.305 -3.662 1.00 0.00 N ATOM 1223 CA GLU X 76 2.366 -4.001 -3.575 1.00 0.00 C ATOM 1224 C GLU X 76 1.564 -3.037 -4.396 1.00 0.00 C ATOM 1225 O GLU X 76 1.424 -3.191 -5.627 1.00 0.00 O ATOM 1226 CB GLU X 76 3.830 -4.042 -3.963 1.00 0.00 C ATOM 1227 CG GLU X 76 4.488 -2.713 -4.116 1.00 0.00 C ATOM 1228 CD GLU X 76 5.956 -2.873 -4.249 1.00 0.00 C ATOM 1229 OE1 GLU X 76 6.424 -3.210 -5.327 1.00 0.00 O ATOM 1230 OE2 GLU X 76 6.636 -2.738 -3.227 1.00 0.00 O ATOM 0 H GLU X 76 1.871 -5.742 -4.583 1.00 0.00 H new ATOM 0 HA GLU X 76 2.311 -3.639 -2.548 1.00 0.00 H new ATOM 0 HB2 GLU X 76 4.372 -4.612 -3.209 1.00 0.00 H new ATOM 0 HB3 GLU X 76 3.924 -4.586 -4.903 1.00 0.00 H new ATOM 0 HG2 GLU X 76 4.091 -2.203 -4.994 1.00 0.00 H new ATOM 0 HG3 GLU X 76 4.261 -2.087 -3.253 1.00 0.00 H new ATOM 1237 N ASN X 77 1.062 -2.030 -3.727 1.00 0.00 N ATOM 1238 CA ASN X 77 0.188 -1.089 -4.344 1.00 0.00 C ATOM 1239 C ASN X 77 0.454 0.286 -3.780 1.00 0.00 C ATOM 1240 O ASN X 77 0.663 0.433 -2.573 1.00 0.00 O ATOM 1241 CB ASN X 77 -1.281 -1.613 -4.251 1.00 0.00 C ATOM 1242 CG ASN X 77 -1.972 -1.731 -2.890 1.00 0.00 C ATOM 1243 OD1 ASN X 77 -3.183 -1.690 -2.844 1.00 0.00 O ATOM 1244 ND2 ASN X 77 -1.254 -1.900 -1.810 1.00 0.00 N ATOM 0 H ASN X 77 1.253 -1.847 -2.742 1.00 0.00 H new ATOM 0 HA ASN X 77 0.374 -0.984 -5.413 1.00 0.00 H new ATOM 0 HB2 ASN X 77 -1.897 -0.961 -4.870 1.00 0.00 H new ATOM 0 HB3 ASN X 77 -1.301 -2.601 -4.710 1.00 0.00 H new ATOM 0 HD21 ASN X 77 -1.712 -2.001 -0.904 1.00 0.00 H new ATOM 0 HD22 ASN X 77 -0.236 -1.931 -1.874 1.00 0.00 H new ATOM 1251 N TYR X 78 0.536 1.286 -4.639 1.00 0.00 N ATOM 1252 CA TYR X 78 0.972 2.580 -4.179 1.00 0.00 C ATOM 1253 C TYR X 78 0.135 3.703 -4.748 1.00 0.00 C ATOM 1254 O TYR X 78 -0.299 3.670 -5.914 1.00 0.00 O ATOM 1255 CB TYR X 78 2.508 2.773 -4.404 1.00 0.00 C ATOM 1256 CG TYR X 78 3.025 2.911 -5.831 1.00 0.00 C ATOM 1257 CD1 TYR X 78 2.595 2.087 -6.869 1.00 0.00 C ATOM 1258 CD2 TYR X 78 4.006 3.847 -6.111 1.00 0.00 C ATOM 1259 CE1 TYR X 78 3.128 2.206 -8.137 1.00 0.00 C ATOM 1260 CE2 TYR X 78 4.537 3.977 -7.370 1.00 0.00 C ATOM 1261 CZ TYR X 78 4.101 3.158 -8.378 1.00 0.00 C ATOM 1262 OH TYR X 78 4.642 3.283 -9.632 1.00 0.00 O ATOM 0 H TYR X 78 0.312 1.226 -5.632 1.00 0.00 H new ATOM 0 HA TYR X 78 0.811 2.621 -3.102 1.00 0.00 H new ATOM 0 HB2 TYR X 78 2.814 3.663 -3.854 1.00 0.00 H new ATOM 0 HB3 TYR X 78 3.018 1.925 -3.948 1.00 0.00 H new ATOM 0 HD1 TYR X 78 1.834 1.345 -6.679 1.00 0.00 H new ATOM 0 HD2 TYR X 78 4.362 4.490 -5.320 1.00 0.00 H new ATOM 0 HE1 TYR X 78 2.788 1.561 -8.934 1.00 0.00 H new ATOM 0 HE2 TYR X 78 5.295 4.721 -7.565 1.00 0.00 H new ATOM 0 HH TYR X 78 5.311 3.999 -9.630 1.00 0.00 H new ATOM 1272 N LEU X 79 -0.116 4.669 -3.920 1.00 0.00 N ATOM 1273 CA LEU X 79 -0.944 5.782 -4.248 1.00 0.00 C ATOM 1274 C LEU X 79 -0.207 6.879 -4.981 1.00 0.00 C ATOM 1275 O LEU X 79 0.391 7.785 -4.391 1.00 0.00 O ATOM 1276 CB LEU X 79 -1.626 6.353 -3.036 1.00 0.00 C ATOM 1277 CG LEU X 79 -2.374 7.639 -3.312 1.00 0.00 C ATOM 1278 CD1 LEU X 79 -3.597 7.410 -4.150 1.00 0.00 C ATOM 1279 CD2 LEU X 79 -2.674 8.379 -2.052 1.00 0.00 C ATOM 0 H LEU X 79 0.261 4.704 -2.973 1.00 0.00 H new ATOM 0 HA LEU X 79 -1.699 5.383 -4.925 1.00 0.00 H new ATOM 0 HB2 LEU X 79 -2.323 5.615 -2.640 1.00 0.00 H new ATOM 0 HB3 LEU X 79 -0.881 6.535 -2.262 1.00 0.00 H new ATOM 0 HG LEU X 79 -1.716 8.277 -3.902 1.00 0.00 H new ATOM 0 HD11 LEU X 79 -4.103 8.360 -4.323 1.00 0.00 H new ATOM 0 HD12 LEU X 79 -3.307 6.974 -5.106 1.00 0.00 H new ATOM 0 HD13 LEU X 79 -4.272 6.729 -3.631 1.00 0.00 H new ATOM 0 HD21 LEU X 79 -3.212 9.297 -2.289 1.00 0.00 H new ATOM 0 HD22 LEU X 79 -3.288 7.756 -1.402 1.00 0.00 H new ATOM 0 HD23 LEU X 79 -1.742 8.625 -1.544 1.00 0.00 H new