USER MOD reduce.3.24.130724 H: found=0, std=0, add=412, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 411 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 37 TYR OH : rot -15:sc= -0.648 USER MOD Set 1.2: A 50 LYS NZ :NH3+ 162:sc= 0.364 (180deg=0) USER MOD Set 2.1: A 18 SER OG : rot -170:sc= 0.517 USER MOD Set 2.2: A 44 LYS NZ :NH3+ 169:sc= 0.635 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 170:sc= 0.96 (180deg=0.758) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= -1.4 USER MOD Single : A 20 LYS NZ :NH3+ 171:sc= -1.14 (180deg=-1.37) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= -0.584 K(o=-0.58,f=-4!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=-0.082) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 163:sc= -0.0623 (180deg=-0.452) USER MOD ----------------------------------------------------------------- ATOM 124 N MET A 1 -3.777 -4.120 -30.992 1.00 0.00 N ATOM 125 CA MET A 1 -4.821 -5.113 -30.623 1.00 0.00 C ATOM 126 C MET A 1 -5.459 -4.706 -29.320 1.00 0.00 C ATOM 127 O MET A 1 -5.211 -3.625 -28.811 1.00 0.00 O ATOM 128 CB MET A 1 -4.188 -6.499 -30.474 1.00 0.00 C ATOM 129 CG MET A 1 -4.232 -7.214 -31.813 1.00 0.00 C ATOM 130 SD MET A 1 -3.074 -6.435 -32.966 1.00 0.00 S ATOM 131 CE MET A 1 -1.797 -7.715 -32.908 1.00 0.00 C ATOM 0 H1 MET A 1 -3.222 -4.482 -31.794 1.00 0.00 H new ATOM 0 H2 MET A 1 -4.230 -3.223 -31.261 1.00 0.00 H new ATOM 0 H3 MET A 1 -3.148 -3.960 -30.180 1.00 0.00 H new ATOM 0 HA MET A 1 -5.579 -5.149 -31.405 1.00 0.00 H new ATOM 0 HB2 MET A 1 -3.157 -6.406 -30.131 1.00 0.00 H new ATOM 0 HB3 MET A 1 -4.724 -7.078 -29.721 1.00 0.00 H new ATOM 0 HG2 MET A 1 -3.976 -8.265 -31.682 1.00 0.00 H new ATOM 0 HG3 MET A 1 -5.242 -7.180 -32.220 1.00 0.00 H new ATOM 0 HE1 MET A 1 -0.970 -7.434 -33.560 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.433 -7.820 -31.886 1.00 0.00 H new ATOM 0 HE3 MET A 1 -2.217 -8.663 -33.243 1.00 0.00 H new ATOM 141 N GLU A 2 -6.278 -5.558 -28.763 1.00 0.00 N ATOM 142 CA GLU A 2 -6.922 -5.235 -27.503 1.00 0.00 C ATOM 143 C GLU A 2 -6.520 -6.300 -26.517 1.00 0.00 C ATOM 144 O GLU A 2 -5.816 -7.232 -26.856 1.00 0.00 O ATOM 145 CB GLU A 2 -8.440 -5.249 -27.710 1.00 0.00 C ATOM 146 CG GLU A 2 -9.050 -3.931 -27.229 1.00 0.00 C ATOM 147 CD GLU A 2 -10.359 -3.672 -27.977 1.00 0.00 C ATOM 148 OE1 GLU A 2 -10.347 -3.740 -29.196 1.00 0.00 O ATOM 149 OE2 GLU A 2 -11.354 -3.412 -27.320 1.00 0.00 O ATOM 0 H GLU A 2 -6.517 -6.471 -29.150 1.00 0.00 H new ATOM 0 HA GLU A 2 -6.628 -4.251 -27.138 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -8.669 -5.401 -28.765 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -8.881 -6.083 -27.164 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -9.234 -3.974 -26.156 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -8.352 -3.111 -27.400 1.00 0.00 H new ATOM 156 N ALA A 3 -6.955 -6.175 -25.319 1.00 0.00 N ATOM 157 CA ALA A 3 -6.616 -7.192 -24.295 1.00 0.00 C ATOM 158 C ALA A 3 -7.672 -7.198 -23.205 1.00 0.00 C ATOM 159 O ALA A 3 -7.886 -6.225 -22.514 1.00 0.00 O ATOM 160 CB ALA A 3 -5.271 -6.893 -23.714 1.00 0.00 C ATOM 0 H ALA A 3 -7.539 -5.406 -24.990 1.00 0.00 H new ATOM 0 HA ALA A 3 -6.588 -8.178 -24.760 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -5.025 -7.642 -22.962 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -4.521 -6.912 -24.504 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -5.286 -5.906 -23.252 1.00 0.00 H new ATOM 166 N ILE A 4 -8.351 -8.290 -23.081 1.00 0.00 N ATOM 167 CA ILE A 4 -9.446 -8.417 -22.085 1.00 0.00 C ATOM 168 C ILE A 4 -8.949 -8.249 -20.669 1.00 0.00 C ATOM 169 O ILE A 4 -8.129 -8.999 -20.185 1.00 0.00 O ATOM 170 CB ILE A 4 -10.093 -9.790 -22.243 1.00 0.00 C ATOM 171 CG1 ILE A 4 -11.101 -10.041 -21.101 1.00 0.00 C ATOM 172 CG2 ILE A 4 -9.032 -10.882 -22.243 1.00 0.00 C ATOM 173 CD1 ILE A 4 -12.358 -10.603 -21.682 1.00 0.00 C ATOM 0 H ILE A 4 -8.192 -9.127 -23.642 1.00 0.00 H new ATOM 0 HA ILE A 4 -10.171 -7.624 -22.270 1.00 0.00 H new ATOM 0 HB ILE A 4 -10.622 -9.813 -23.196 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -10.680 -10.733 -20.372 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -11.312 -9.111 -20.573 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -9.511 -11.855 -22.357 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -8.342 -10.719 -23.071 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -8.483 -10.856 -21.302 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -13.078 -10.785 -20.884 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -12.778 -9.894 -22.395 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -12.136 -11.541 -22.191 1.00 0.00 H new ATOM 185 N ALA A 5 -9.517 -7.310 -19.986 1.00 0.00 N ATOM 186 CA ALA A 5 -9.157 -7.114 -18.546 1.00 0.00 C ATOM 187 C ALA A 5 -9.712 -8.312 -17.774 1.00 0.00 C ATOM 188 O ALA A 5 -10.897 -8.394 -17.509 1.00 0.00 O ATOM 189 CB ALA A 5 -9.782 -5.836 -17.994 1.00 0.00 C ATOM 0 H ALA A 5 -10.216 -6.664 -20.352 1.00 0.00 H new ATOM 0 HA ALA A 5 -8.075 -7.032 -18.444 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -9.504 -5.718 -16.947 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -9.422 -4.979 -18.563 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -10.867 -5.896 -18.077 1.00 0.00 H new ATOM 195 N LYS A 6 -8.874 -9.255 -17.447 1.00 0.00 N ATOM 196 CA LYS A 6 -9.349 -10.479 -16.729 1.00 0.00 C ATOM 197 C LYS A 6 -10.041 -10.116 -15.403 1.00 0.00 C ATOM 198 O LYS A 6 -10.929 -10.814 -14.952 1.00 0.00 O ATOM 199 CB LYS A 6 -8.153 -11.374 -16.431 1.00 0.00 C ATOM 200 CG LYS A 6 -7.516 -11.811 -17.738 1.00 0.00 C ATOM 201 CD LYS A 6 -6.104 -12.335 -17.470 1.00 0.00 C ATOM 202 CE LYS A 6 -6.176 -13.621 -16.645 1.00 0.00 C ATOM 203 NZ LYS A 6 -6.330 -14.788 -17.557 1.00 0.00 N ATOM 0 H LYS A 6 -7.874 -9.234 -17.646 1.00 0.00 H new ATOM 0 HA LYS A 6 -10.069 -10.993 -17.366 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -7.426 -10.838 -15.820 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -8.470 -12.246 -15.858 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -8.120 -12.588 -18.207 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -7.478 -10.973 -18.434 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -5.592 -12.525 -18.413 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -5.522 -11.583 -16.938 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -5.273 -13.732 -16.045 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -7.016 -13.574 -15.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -6.379 -15.663 -16.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -7.204 -14.683 -18.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -5.515 -14.835 -18.201 1.00 0.00 H new ATOM 217 N TYR A 7 -9.633 -9.042 -14.774 1.00 0.00 N ATOM 218 CA TYR A 7 -10.259 -8.644 -13.463 1.00 0.00 C ATOM 219 C TYR A 7 -10.319 -7.140 -13.376 1.00 0.00 C ATOM 220 O TYR A 7 -10.029 -6.431 -14.324 1.00 0.00 O ATOM 221 CB TYR A 7 -9.422 -9.158 -12.265 1.00 0.00 C ATOM 222 CG TYR A 7 -8.912 -10.557 -12.497 1.00 0.00 C ATOM 223 CD1 TYR A 7 -7.889 -10.784 -13.418 1.00 0.00 C ATOM 224 CD2 TYR A 7 -9.449 -11.623 -11.769 1.00 0.00 C ATOM 225 CE1 TYR A 7 -7.401 -12.075 -13.622 1.00 0.00 C ATOM 226 CE2 TYR A 7 -8.960 -12.921 -11.968 1.00 0.00 C ATOM 227 CZ TYR A 7 -7.935 -13.147 -12.896 1.00 0.00 C ATOM 228 OH TYR A 7 -7.452 -14.424 -13.094 1.00 0.00 O ATOM 0 H TYR A 7 -8.895 -8.421 -15.106 1.00 0.00 H new ATOM 0 HA TYR A 7 -11.257 -9.081 -13.420 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -8.579 -8.487 -12.096 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -10.031 -9.138 -11.361 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -7.473 -9.957 -13.975 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -10.239 -11.446 -11.054 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -6.612 -12.248 -14.339 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -9.373 -13.746 -11.407 1.00 0.00 H new ATOM 0 HH TYR A 7 -7.931 -15.049 -12.510 1.00 0.00 H new ATOM 238 N ASP A 8 -10.694 -6.652 -12.237 1.00 0.00 N ATOM 239 CA ASP A 8 -10.787 -5.202 -12.035 1.00 0.00 C ATOM 240 C ASP A 8 -9.410 -4.655 -11.624 1.00 0.00 C ATOM 241 O ASP A 8 -8.524 -5.401 -11.254 1.00 0.00 O ATOM 242 CB ASP A 8 -11.844 -4.938 -10.968 1.00 0.00 C ATOM 243 CG ASP A 8 -11.364 -5.431 -9.592 1.00 0.00 C ATOM 244 OD1 ASP A 8 -11.433 -6.627 -9.355 1.00 0.00 O ATOM 245 OD2 ASP A 8 -10.941 -4.604 -8.802 1.00 0.00 O ATOM 0 H ASP A 8 -10.944 -7.214 -11.424 1.00 0.00 H new ATOM 0 HA ASP A 8 -11.081 -4.693 -12.953 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -12.062 -3.871 -10.922 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -12.773 -5.442 -11.237 1.00 0.00 H new ATOM 250 N PHE A 9 -9.226 -3.365 -11.711 1.00 0.00 N ATOM 251 CA PHE A 9 -7.918 -2.755 -11.359 1.00 0.00 C ATOM 252 C PHE A 9 -8.047 -1.219 -11.522 1.00 0.00 C ATOM 253 O PHE A 9 -8.993 -0.734 -12.106 1.00 0.00 O ATOM 254 CB PHE A 9 -6.852 -3.331 -12.322 1.00 0.00 C ATOM 255 CG PHE A 9 -5.555 -2.579 -12.206 1.00 0.00 C ATOM 256 CD1 PHE A 9 -5.362 -1.437 -12.970 1.00 0.00 C ATOM 257 CD2 PHE A 9 -4.557 -3.028 -11.343 1.00 0.00 C ATOM 258 CE1 PHE A 9 -4.158 -0.728 -12.877 1.00 0.00 C ATOM 259 CE2 PHE A 9 -3.351 -2.327 -11.245 1.00 0.00 C ATOM 260 CZ PHE A 9 -3.150 -1.175 -12.013 1.00 0.00 C ATOM 0 H PHE A 9 -9.938 -2.702 -12.016 1.00 0.00 H new ATOM 0 HA PHE A 9 -7.625 -2.977 -10.333 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -6.686 -4.385 -12.098 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -7.217 -3.277 -13.348 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -6.140 -1.095 -13.636 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -4.715 -3.917 -10.750 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -4.007 0.162 -13.470 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -2.576 -2.674 -10.578 1.00 0.00 H new ATOM 0 HZ PHE A 9 -2.220 -0.631 -11.940 1.00 0.00 H new ATOM 270 N LYS A 10 -7.108 -0.461 -11.009 1.00 0.00 N ATOM 271 CA LYS A 10 -7.193 1.033 -11.145 1.00 0.00 C ATOM 272 C LYS A 10 -5.821 1.610 -11.386 1.00 0.00 C ATOM 273 O LYS A 10 -4.820 1.081 -10.940 1.00 0.00 O ATOM 274 CB LYS A 10 -7.804 1.629 -9.871 1.00 0.00 C ATOM 275 CG LYS A 10 -9.244 2.068 -10.147 1.00 0.00 C ATOM 276 CD LYS A 10 -9.926 2.437 -8.826 1.00 0.00 C ATOM 277 CE LYS A 10 -9.528 3.860 -8.425 1.00 0.00 C ATOM 278 NZ LYS A 10 -10.374 4.312 -7.282 1.00 0.00 N ATOM 0 H LYS A 10 -6.291 -0.806 -10.505 1.00 0.00 H new ATOM 0 HA LYS A 10 -7.828 1.282 -11.996 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -7.786 0.892 -9.068 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -7.212 2.480 -9.536 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -9.252 2.922 -10.824 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -9.792 1.265 -10.640 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -11.009 2.367 -8.932 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -9.636 1.733 -8.046 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -8.475 3.889 -8.145 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -9.651 4.535 -9.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -10.103 5.279 -7.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -11.375 4.300 -7.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -10.235 3.673 -6.473 1.00 0.00 H new ATOM 292 N ALA A 11 -5.768 2.708 -12.105 1.00 0.00 N ATOM 293 CA ALA A 11 -4.463 3.341 -12.401 1.00 0.00 C ATOM 294 C ALA A 11 -3.793 3.744 -11.084 1.00 0.00 C ATOM 295 O ALA A 11 -4.412 4.344 -10.222 1.00 0.00 O ATOM 296 CB ALA A 11 -4.658 4.579 -13.271 1.00 0.00 C ATOM 0 H ALA A 11 -6.580 3.186 -12.496 1.00 0.00 H new ATOM 0 HA ALA A 11 -3.835 2.631 -12.939 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -3.689 5.033 -13.480 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -5.135 4.293 -14.209 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -5.290 5.296 -12.747 1.00 0.00 H new ATOM 302 N THR A 12 -2.544 3.409 -10.917 1.00 0.00 N ATOM 303 CA THR A 12 -1.835 3.754 -9.648 1.00 0.00 C ATOM 304 C THR A 12 -0.737 4.782 -9.927 1.00 0.00 C ATOM 305 O THR A 12 0.358 4.693 -9.401 1.00 0.00 O ATOM 306 CB THR A 12 -1.218 2.487 -9.060 1.00 0.00 C ATOM 307 OG1 THR A 12 -0.691 1.690 -10.114 1.00 0.00 O ATOM 308 CG2 THR A 12 -2.289 1.698 -8.310 1.00 0.00 C ATOM 0 H THR A 12 -1.980 2.910 -11.605 1.00 0.00 H new ATOM 0 HA THR A 12 -2.545 4.180 -8.939 1.00 0.00 H new ATOM 0 HB THR A 12 -0.419 2.756 -8.369 1.00 0.00 H new ATOM 0 HG1 THR A 12 -0.293 0.876 -9.741 1.00 0.00 H new ATOM 0 HG21 THR A 12 -1.848 0.794 -7.891 1.00 0.00 H new ATOM 0 HG22 THR A 12 -2.695 2.311 -7.505 1.00 0.00 H new ATOM 0 HG23 THR A 12 -3.089 1.426 -8.998 1.00 0.00 H new ATOM 316 N ALA A 13 -1.024 5.756 -10.751 1.00 0.00 N ATOM 317 CA ALA A 13 -0.006 6.805 -11.079 1.00 0.00 C ATOM 318 C ALA A 13 -0.558 7.717 -12.141 1.00 0.00 C ATOM 319 O ALA A 13 -1.567 7.439 -12.763 1.00 0.00 O ATOM 320 CB ALA A 13 1.280 6.158 -11.605 1.00 0.00 C ATOM 0 H ALA A 13 -1.925 5.873 -11.215 1.00 0.00 H new ATOM 0 HA ALA A 13 0.220 7.368 -10.174 1.00 0.00 H new ATOM 0 HB1 ALA A 13 2.009 6.934 -11.838 1.00 0.00 H new ATOM 0 HB2 ALA A 13 1.690 5.492 -10.845 1.00 0.00 H new ATOM 0 HB3 ALA A 13 1.058 5.587 -12.506 1.00 0.00 H new ATOM 326 N ASP A 14 0.104 8.803 -12.350 1.00 0.00 N ATOM 327 CA ASP A 14 -0.334 9.774 -13.367 1.00 0.00 C ATOM 328 C ASP A 14 -0.155 9.182 -14.776 1.00 0.00 C ATOM 329 O ASP A 14 -0.655 9.722 -15.747 1.00 0.00 O ATOM 330 CB ASP A 14 0.518 11.004 -13.208 1.00 0.00 C ATOM 331 CG ASP A 14 -0.223 12.226 -13.758 1.00 0.00 C ATOM 332 OD1 ASP A 14 -0.792 12.114 -14.831 1.00 0.00 O ATOM 333 OD2 ASP A 14 -0.208 13.251 -13.096 1.00 0.00 O ATOM 0 H ASP A 14 0.951 9.065 -11.846 1.00 0.00 H new ATOM 0 HA ASP A 14 -1.389 10.018 -13.238 1.00 0.00 H new ATOM 0 HB2 ASP A 14 0.759 11.157 -12.156 1.00 0.00 H new ATOM 0 HB3 ASP A 14 1.463 10.873 -13.735 1.00 0.00 H new ATOM 338 N ASP A 15 0.558 8.073 -14.896 1.00 0.00 N ATOM 339 CA ASP A 15 0.767 7.457 -16.212 1.00 0.00 C ATOM 340 C ASP A 15 0.300 5.998 -16.187 1.00 0.00 C ATOM 341 O ASP A 15 0.752 5.185 -16.975 1.00 0.00 O ATOM 342 CB ASP A 15 2.254 7.514 -16.572 1.00 0.00 C ATOM 343 CG ASP A 15 2.450 7.080 -18.028 1.00 0.00 C ATOM 344 OD1 ASP A 15 1.663 7.497 -18.861 1.00 0.00 O ATOM 345 OD2 ASP A 15 3.387 6.339 -18.284 1.00 0.00 O ATOM 0 H ASP A 15 0.998 7.582 -14.117 1.00 0.00 H new ATOM 0 HA ASP A 15 0.190 8.003 -16.958 1.00 0.00 H new ATOM 0 HB2 ASP A 15 2.634 8.526 -16.430 1.00 0.00 H new ATOM 0 HB3 ASP A 15 2.824 6.863 -15.909 1.00 0.00 H new ATOM 350 N GLU A 16 -0.612 5.659 -15.300 1.00 0.00 N ATOM 351 CA GLU A 16 -1.111 4.264 -15.243 1.00 0.00 C ATOM 352 C GLU A 16 -2.540 4.245 -15.779 1.00 0.00 C ATOM 353 O GLU A 16 -3.137 5.286 -15.988 1.00 0.00 O ATOM 354 CB GLU A 16 -1.073 3.761 -13.798 1.00 0.00 C ATOM 355 CG GLU A 16 -1.108 2.227 -13.792 1.00 0.00 C ATOM 356 CD GLU A 16 -0.016 1.673 -12.864 1.00 0.00 C ATOM 357 OE1 GLU A 16 1.002 2.332 -12.713 1.00 0.00 O ATOM 358 OE2 GLU A 16 -0.214 0.596 -12.326 1.00 0.00 O ATOM 0 H GLU A 16 -1.025 6.295 -14.618 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.484 3.609 -15.848 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -0.171 4.117 -13.301 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -1.922 4.157 -13.241 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -2.087 1.880 -13.461 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -0.961 1.849 -14.804 1.00 0.00 H new ATOM 365 N LEU A 17 -3.088 3.080 -16.040 1.00 0.00 N ATOM 366 CA LEU A 17 -4.473 3.027 -16.606 1.00 0.00 C ATOM 367 C LEU A 17 -5.454 2.367 -15.639 1.00 0.00 C ATOM 368 O LEU A 17 -5.105 1.500 -14.864 1.00 0.00 O ATOM 369 CB LEU A 17 -4.437 2.246 -17.922 1.00 0.00 C ATOM 370 CG LEU A 17 -5.813 2.277 -18.599 1.00 0.00 C ATOM 371 CD1 LEU A 17 -6.125 3.699 -19.091 1.00 0.00 C ATOM 372 CD2 LEU A 17 -5.812 1.306 -19.790 1.00 0.00 C ATOM 0 H LEU A 17 -2.642 2.175 -15.888 1.00 0.00 H new ATOM 0 HA LEU A 17 -4.818 4.047 -16.776 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -3.688 2.675 -18.587 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -4.141 1.214 -17.732 1.00 0.00 H new ATOM 0 HG LEU A 17 -6.576 1.977 -17.881 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -7.104 3.712 -19.570 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -6.127 4.385 -18.244 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -5.366 4.011 -19.808 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -6.788 1.324 -20.275 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -5.046 1.607 -20.505 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -5.601 0.297 -19.436 1.00 0.00 H new ATOM 384 N SER A 18 -6.695 2.790 -15.696 1.00 0.00 N ATOM 385 CA SER A 18 -7.738 2.231 -14.815 1.00 0.00 C ATOM 386 C SER A 18 -8.731 1.414 -15.653 1.00 0.00 C ATOM 387 O SER A 18 -8.988 1.731 -16.801 1.00 0.00 O ATOM 388 CB SER A 18 -8.468 3.373 -14.164 1.00 0.00 C ATOM 389 OG SER A 18 -7.564 4.441 -13.907 1.00 0.00 O ATOM 0 H SER A 18 -7.023 3.515 -16.334 1.00 0.00 H new ATOM 0 HA SER A 18 -7.286 1.587 -14.061 1.00 0.00 H new ATOM 0 HB2 SER A 18 -9.275 3.716 -14.811 1.00 0.00 H new ATOM 0 HB3 SER A 18 -8.926 3.040 -13.232 1.00 0.00 H new ATOM 0 HG SER A 18 -8.003 5.113 -13.345 1.00 0.00 H new ATOM 395 N PHE A 19 -9.299 0.379 -15.086 1.00 0.00 N ATOM 396 CA PHE A 19 -10.290 -0.448 -15.845 1.00 0.00 C ATOM 397 C PHE A 19 -10.908 -1.483 -14.902 1.00 0.00 C ATOM 398 O PHE A 19 -10.401 -1.727 -13.838 1.00 0.00 O ATOM 399 CB PHE A 19 -9.597 -1.145 -17.028 1.00 0.00 C ATOM 400 CG PHE A 19 -8.523 -2.090 -16.539 1.00 0.00 C ATOM 401 CD1 PHE A 19 -8.875 -3.355 -16.055 1.00 0.00 C ATOM 402 CD2 PHE A 19 -7.178 -1.704 -16.583 1.00 0.00 C ATOM 403 CE1 PHE A 19 -7.879 -4.236 -15.613 1.00 0.00 C ATOM 404 CE2 PHE A 19 -6.184 -2.583 -16.140 1.00 0.00 C ATOM 405 CZ PHE A 19 -6.533 -3.849 -15.656 1.00 0.00 C ATOM 0 H PHE A 19 -9.120 0.070 -14.131 1.00 0.00 H new ATOM 0 HA PHE A 19 -11.078 0.194 -16.239 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -10.333 -1.696 -17.614 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -9.157 -0.398 -17.689 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -9.913 -3.652 -16.022 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -6.908 -0.728 -16.959 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -8.149 -5.213 -15.239 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -5.147 -2.284 -16.171 1.00 0.00 H new ATOM 0 HZ PHE A 19 -5.765 -4.528 -15.316 1.00 0.00 H new ATOM 415 N LYS A 20 -12.009 -2.076 -15.281 1.00 0.00 N ATOM 416 CA LYS A 20 -12.669 -3.078 -14.392 1.00 0.00 C ATOM 417 C LYS A 20 -12.666 -4.445 -15.048 1.00 0.00 C ATOM 418 O LYS A 20 -12.135 -4.633 -16.123 1.00 0.00 O ATOM 419 CB LYS A 20 -14.112 -2.654 -14.148 1.00 0.00 C ATOM 420 CG LYS A 20 -14.132 -1.255 -13.547 1.00 0.00 C ATOM 421 CD LYS A 20 -14.070 -1.350 -12.019 1.00 0.00 C ATOM 422 CE LYS A 20 -15.488 -1.297 -11.443 1.00 0.00 C ATOM 423 NZ LYS A 20 -16.330 -2.344 -12.088 1.00 0.00 N ATOM 0 H LYS A 20 -12.481 -1.910 -16.170 1.00 0.00 H new ATOM 0 HA LYS A 20 -12.123 -3.130 -13.450 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -14.670 -2.668 -15.084 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -14.601 -3.358 -13.475 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -13.287 -0.676 -13.920 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -15.037 -0.730 -13.852 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -13.580 -2.277 -11.722 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -13.473 -0.531 -11.618 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -15.459 -1.453 -10.365 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -15.923 -0.312 -11.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -17.242 -2.409 -11.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -16.494 -2.093 -13.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -15.842 -3.261 -12.038 1.00 0.00 H new ATOM 437 N ARG A 21 -13.268 -5.397 -14.398 1.00 0.00 N ATOM 438 CA ARG A 21 -13.338 -6.767 -14.947 1.00 0.00 C ATOM 439 C ARG A 21 -14.273 -6.777 -16.155 1.00 0.00 C ATOM 440 O ARG A 21 -15.460 -6.534 -16.032 1.00 0.00 O ATOM 441 CB ARG A 21 -13.891 -7.669 -13.870 1.00 0.00 C ATOM 442 CG ARG A 21 -13.751 -9.126 -14.277 1.00 0.00 C ATOM 443 CD ARG A 21 -14.031 -10.001 -13.059 1.00 0.00 C ATOM 444 NE ARG A 21 -15.312 -10.741 -13.265 1.00 0.00 N ATOM 445 CZ ARG A 21 -15.302 -12.035 -13.462 1.00 0.00 C ATOM 446 NH1 ARG A 21 -14.350 -12.586 -14.166 1.00 0.00 N ATOM 447 NH2 ARG A 21 -16.249 -12.776 -12.955 1.00 0.00 N ATOM 0 H ARG A 21 -13.722 -5.277 -13.492 1.00 0.00 H new ATOM 0 HA ARG A 21 -12.351 -7.110 -15.259 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -13.362 -7.494 -12.933 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -14.940 -7.433 -13.693 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -14.448 -9.363 -15.081 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -12.748 -9.318 -14.658 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -13.212 -10.704 -12.906 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -14.094 -9.385 -12.162 1.00 0.00 H new ATOM 0 HE ARG A 21 -16.198 -10.236 -13.252 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -13.610 -12.008 -14.565 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -14.346 -13.595 -14.317 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -16.994 -12.347 -12.407 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -16.244 -13.785 -13.107 1.00 0.00 H new ATOM 461 N GLY A 22 -13.746 -7.042 -17.321 1.00 0.00 N ATOM 462 CA GLY A 22 -14.600 -7.052 -18.550 1.00 0.00 C ATOM 463 C GLY A 22 -14.307 -5.803 -19.403 1.00 0.00 C ATOM 464 O GLY A 22 -14.816 -5.663 -20.501 1.00 0.00 O ATOM 0 H GLY A 22 -12.760 -7.252 -17.478 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -14.406 -7.954 -19.131 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -15.653 -7.074 -18.271 1.00 0.00 H new ATOM 468 N ASP A 23 -13.476 -4.903 -18.910 1.00 0.00 N ATOM 469 CA ASP A 23 -13.135 -3.710 -19.658 1.00 0.00 C ATOM 470 C ASP A 23 -11.880 -4.013 -20.441 1.00 0.00 C ATOM 471 O ASP A 23 -10.803 -4.106 -19.888 1.00 0.00 O ATOM 472 CB ASP A 23 -12.885 -2.548 -18.687 1.00 0.00 C ATOM 473 CG ASP A 23 -13.755 -1.347 -19.073 1.00 0.00 C ATOM 474 OD1 ASP A 23 -14.943 -1.540 -19.274 1.00 0.00 O ATOM 475 OD2 ASP A 23 -13.217 -0.255 -19.161 1.00 0.00 O ATOM 0 H ASP A 23 -13.027 -4.976 -17.997 1.00 0.00 H new ATOM 0 HA ASP A 23 -13.944 -3.425 -20.330 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -13.112 -2.860 -17.668 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -11.832 -2.266 -18.707 1.00 0.00 H new ATOM 480 N ILE A 24 -12.015 -4.201 -21.707 1.00 0.00 N ATOM 481 CA ILE A 24 -10.834 -4.533 -22.549 1.00 0.00 C ATOM 482 C ILE A 24 -10.088 -3.247 -22.907 1.00 0.00 C ATOM 483 O ILE A 24 -10.680 -2.254 -23.284 1.00 0.00 O ATOM 484 CB ILE A 24 -11.292 -5.286 -23.807 1.00 0.00 C ATOM 485 CG1 ILE A 24 -12.371 -6.339 -23.399 1.00 0.00 C ATOM 486 CG2 ILE A 24 -10.072 -5.978 -24.416 1.00 0.00 C ATOM 487 CD1 ILE A 24 -12.587 -7.379 -24.502 1.00 0.00 C ATOM 0 H ILE A 24 -12.900 -4.140 -22.210 1.00 0.00 H new ATOM 0 HA ILE A 24 -10.152 -5.181 -21.999 1.00 0.00 H new ATOM 0 HB ILE A 24 -11.726 -4.604 -24.538 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -12.063 -6.840 -22.481 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -13.312 -5.833 -23.186 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -10.371 -6.521 -25.313 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -9.323 -5.231 -24.677 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -9.651 -6.676 -23.693 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -13.344 -8.095 -24.183 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -12.920 -6.880 -25.412 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -11.651 -7.903 -24.697 1.00 0.00 H new ATOM 499 N LEU A 25 -8.786 -3.261 -22.759 1.00 0.00 N ATOM 500 CA LEU A 25 -7.969 -2.039 -23.051 1.00 0.00 C ATOM 501 C LEU A 25 -7.467 -2.068 -24.491 1.00 0.00 C ATOM 502 O LEU A 25 -7.468 -3.104 -25.142 1.00 0.00 O ATOM 503 CB LEU A 25 -6.741 -1.973 -22.096 1.00 0.00 C ATOM 504 CG LEU A 25 -7.096 -2.351 -20.618 1.00 0.00 C ATOM 505 CD1 LEU A 25 -8.499 -1.859 -20.225 1.00 0.00 C ATOM 506 CD2 LEU A 25 -7.016 -3.874 -20.435 1.00 0.00 C ATOM 0 H LEU A 25 -8.250 -4.071 -22.447 1.00 0.00 H new ATOM 0 HA LEU A 25 -8.602 -1.164 -22.901 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.966 -2.647 -22.462 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -6.324 -0.966 -22.118 1.00 0.00 H new ATOM 0 HG LEU A 25 -6.372 -1.859 -19.968 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -8.708 -2.141 -19.193 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -8.544 -0.774 -20.321 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -9.241 -2.313 -20.882 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -7.264 -4.130 -19.405 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -7.722 -4.359 -21.110 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -6.006 -4.215 -20.660 1.00 0.00 H new ATOM 518 N LYS A 26 -7.009 -0.934 -24.988 1.00 0.00 N ATOM 519 CA LYS A 26 -6.474 -0.893 -26.397 1.00 0.00 C ATOM 520 C LYS A 26 -4.949 -0.850 -26.323 1.00 0.00 C ATOM 521 O LYS A 26 -4.375 0.170 -26.018 1.00 0.00 O ATOM 522 CB LYS A 26 -6.999 0.359 -27.112 1.00 0.00 C ATOM 523 CG LYS A 26 -7.328 0.018 -28.568 1.00 0.00 C ATOM 524 CD LYS A 26 -8.548 0.823 -29.021 1.00 0.00 C ATOM 525 CE LYS A 26 -9.815 0.212 -28.421 1.00 0.00 C ATOM 526 NZ LYS A 26 -10.979 1.096 -28.715 1.00 0.00 N ATOM 0 H LYS A 26 -6.982 -0.046 -24.486 1.00 0.00 H new ATOM 0 HA LYS A 26 -6.798 -1.772 -26.953 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -7.889 0.733 -26.606 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -6.253 1.152 -27.073 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -6.474 0.243 -29.207 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -7.527 -1.049 -28.666 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -8.449 1.862 -28.706 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -8.612 0.824 -30.109 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -9.985 -0.781 -28.836 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -9.699 0.091 -27.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -11.841 0.682 -28.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -10.816 2.035 -28.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -11.093 1.189 -29.745 1.00 0.00 H new ATOM 540 N VAL A 27 -4.282 -1.958 -26.569 1.00 0.00 N ATOM 541 CA VAL A 27 -2.788 -1.965 -26.451 1.00 0.00 C ATOM 542 C VAL A 27 -2.155 -0.877 -27.327 1.00 0.00 C ATOM 543 O VAL A 27 -2.175 -0.931 -28.539 1.00 0.00 O ATOM 544 CB VAL A 27 -2.217 -3.342 -26.824 1.00 0.00 C ATOM 545 CG1 VAL A 27 -0.759 -3.423 -26.351 1.00 0.00 C ATOM 546 CG2 VAL A 27 -3.030 -4.450 -26.133 1.00 0.00 C ATOM 0 H VAL A 27 -4.703 -2.846 -26.843 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.540 -1.753 -25.411 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.271 -3.475 -27.905 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.346 -4.397 -26.612 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.175 -2.640 -26.835 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.719 -3.289 -25.270 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.620 -5.424 -26.402 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.977 -4.320 -25.052 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -4.070 -4.393 -26.455 1.00 0.00 H new ATOM 556 N LEU A 28 -1.575 0.094 -26.688 1.00 0.00 N ATOM 557 CA LEU A 28 -0.895 1.206 -27.394 1.00 0.00 C ATOM 558 C LEU A 28 0.530 0.768 -27.688 1.00 0.00 C ATOM 559 O LEU A 28 1.096 1.092 -28.716 1.00 0.00 O ATOM 560 CB LEU A 28 -0.849 2.432 -26.458 1.00 0.00 C ATOM 561 CG LEU A 28 -2.002 3.412 -26.742 1.00 0.00 C ATOM 562 CD1 LEU A 28 -3.348 2.671 -26.795 1.00 0.00 C ATOM 563 CD2 LEU A 28 -2.037 4.461 -25.613 1.00 0.00 C ATOM 0 H LEU A 28 -1.544 0.164 -25.671 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.422 1.458 -28.314 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.901 2.100 -25.421 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.104 2.947 -26.580 1.00 0.00 H new ATOM 0 HG LEU A 28 -1.839 3.891 -27.707 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.148 3.383 -26.997 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -3.320 1.923 -27.587 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -3.531 2.181 -25.839 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.848 5.166 -25.796 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.198 3.962 -24.658 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.089 4.998 -25.586 1.00 0.00 H new ATOM 575 N ASN A 29 1.116 0.036 -26.771 1.00 0.00 N ATOM 576 CA ASN A 29 2.514 -0.429 -26.967 1.00 0.00 C ATOM 577 C ASN A 29 2.690 -1.825 -26.370 1.00 0.00 C ATOM 578 O ASN A 29 2.490 -2.036 -25.182 1.00 0.00 O ATOM 579 CB ASN A 29 3.472 0.542 -26.276 1.00 0.00 C ATOM 580 CG ASN A 29 4.901 0.262 -26.735 1.00 0.00 C ATOM 581 OD1 ASN A 29 5.301 -0.879 -26.851 1.00 0.00 O ATOM 582 ND2 ASN A 29 5.695 1.262 -27.003 1.00 0.00 N ATOM 0 H ASN A 29 0.681 -0.257 -25.896 1.00 0.00 H new ATOM 0 HA ASN A 29 2.732 -0.467 -28.034 1.00 0.00 H new ATOM 0 HB2 ASN A 29 3.198 1.570 -26.513 1.00 0.00 H new ATOM 0 HB3 ASN A 29 3.399 0.433 -25.194 1.00 0.00 H new ATOM 0 HD21 ASN A 29 6.652 1.086 -27.310 1.00 0.00 H new ATOM 0 HD22 ASN A 29 5.359 2.220 -26.906 1.00 0.00 H new ATOM 673 N TRP A 36 3.748 -5.682 -17.618 1.00 0.00 N ATOM 674 CA TRP A 36 2.760 -4.559 -17.850 1.00 0.00 C ATOM 675 C TRP A 36 2.981 -3.986 -19.266 1.00 0.00 C ATOM 676 O TRP A 36 4.097 -3.742 -19.681 1.00 0.00 O ATOM 677 CB TRP A 36 2.928 -3.391 -16.847 1.00 0.00 C ATOM 678 CG TRP A 36 2.953 -3.847 -15.403 1.00 0.00 C ATOM 679 CD1 TRP A 36 3.856 -4.706 -14.865 1.00 0.00 C ATOM 680 CD2 TRP A 36 2.084 -3.427 -14.285 1.00 0.00 C ATOM 681 NE1 TRP A 36 3.589 -4.852 -13.515 1.00 0.00 N ATOM 682 CE2 TRP A 36 2.524 -4.086 -13.108 1.00 0.00 C ATOM 683 CE3 TRP A 36 0.968 -2.555 -14.169 1.00 0.00 C ATOM 684 CZ2 TRP A 36 1.902 -3.889 -11.873 1.00 0.00 C ATOM 685 CZ3 TRP A 36 0.347 -2.363 -12.913 1.00 0.00 C ATOM 686 CH2 TRP A 36 0.818 -3.024 -11.776 1.00 0.00 C ATOM 0 HA TRP A 36 1.763 -4.982 -17.722 1.00 0.00 H new ATOM 0 HB2 TRP A 36 3.853 -2.859 -17.070 1.00 0.00 H new ATOM 0 HB3 TRP A 36 2.111 -2.682 -16.984 1.00 0.00 H new ATOM 0 HD1 TRP A 36 4.654 -5.196 -15.403 1.00 0.00 H new ATOM 0 HE1 TRP A 36 4.122 -5.459 -12.893 1.00 0.00 H new ATOM 0 HE3 TRP A 36 0.594 -2.039 -15.041 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 2.262 -4.407 -10.996 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -0.500 -1.698 -12.832 1.00 0.00 H new ATOM 0 HH2 TRP A 36 0.340 -2.863 -10.821 1.00 0.00 H new ATOM 697 N TYR A 37 1.917 -3.751 -19.993 1.00 0.00 N ATOM 698 CA TYR A 37 2.031 -3.170 -21.375 1.00 0.00 C ATOM 699 C TYR A 37 1.602 -1.687 -21.323 1.00 0.00 C ATOM 700 O TYR A 37 1.523 -1.103 -20.284 1.00 0.00 O ATOM 701 CB TYR A 37 1.046 -3.881 -22.329 1.00 0.00 C ATOM 702 CG TYR A 37 1.185 -5.377 -22.318 1.00 0.00 C ATOM 703 CD1 TYR A 37 2.437 -5.983 -22.451 1.00 0.00 C ATOM 704 CD2 TYR A 37 0.029 -6.159 -22.229 1.00 0.00 C ATOM 705 CE1 TYR A 37 2.532 -7.380 -22.497 1.00 0.00 C ATOM 706 CE2 TYR A 37 0.115 -7.548 -22.265 1.00 0.00 C ATOM 707 CZ TYR A 37 1.371 -8.166 -22.403 1.00 0.00 C ATOM 708 OH TYR A 37 1.467 -9.543 -22.460 1.00 0.00 O ATOM 0 H TYR A 37 0.962 -3.938 -19.688 1.00 0.00 H new ATOM 0 HA TYR A 37 3.058 -3.287 -21.722 1.00 0.00 H new ATOM 0 HB2 TYR A 37 0.026 -3.616 -22.051 1.00 0.00 H new ATOM 0 HB3 TYR A 37 1.205 -3.515 -23.343 1.00 0.00 H new ATOM 0 HD1 TYR A 37 3.328 -5.377 -22.518 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -0.935 -5.683 -22.132 1.00 0.00 H new ATOM 0 HE1 TYR A 37 3.497 -7.853 -22.605 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -0.779 -8.149 -22.187 1.00 0.00 H new ATOM 0 HH TYR A 37 2.350 -9.795 -22.802 1.00 0.00 H new ATOM 718 N LYS A 38 1.265 -1.117 -22.460 1.00 0.00 N ATOM 719 CA LYS A 38 0.749 0.274 -22.526 1.00 0.00 C ATOM 720 C LYS A 38 -0.617 0.136 -23.205 1.00 0.00 C ATOM 721 O LYS A 38 -0.816 -0.808 -23.947 1.00 0.00 O ATOM 722 CB LYS A 38 1.673 1.130 -23.385 1.00 0.00 C ATOM 723 CG LYS A 38 1.214 2.584 -23.323 1.00 0.00 C ATOM 724 CD LYS A 38 1.682 3.331 -24.581 1.00 0.00 C ATOM 725 CE LYS A 38 2.794 4.321 -24.217 1.00 0.00 C ATOM 726 NZ LYS A 38 3.086 5.197 -25.389 1.00 0.00 N ATOM 0 H LYS A 38 1.332 -1.580 -23.366 1.00 0.00 H new ATOM 0 HA LYS A 38 0.686 0.748 -21.546 1.00 0.00 H new ATOM 0 HB2 LYS A 38 2.700 1.045 -23.031 1.00 0.00 H new ATOM 0 HB3 LYS A 38 1.661 0.776 -24.416 1.00 0.00 H new ATOM 0 HG2 LYS A 38 0.128 2.629 -23.245 1.00 0.00 H new ATOM 0 HG3 LYS A 38 1.618 3.065 -22.432 1.00 0.00 H new ATOM 0 HD2 LYS A 38 2.045 2.620 -25.323 1.00 0.00 H new ATOM 0 HD3 LYS A 38 0.844 3.862 -25.032 1.00 0.00 H new ATOM 0 HE2 LYS A 38 2.490 4.927 -23.364 1.00 0.00 H new ATOM 0 HE3 LYS A 38 3.693 3.781 -23.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 3.841 5.868 -25.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 3.393 4.612 -26.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 2.228 5.722 -25.652 1.00 0.00 H new ATOM 740 N ALA A 39 -1.567 1.015 -22.962 1.00 0.00 N ATOM 741 CA ALA A 39 -2.911 0.845 -23.628 1.00 0.00 C ATOM 742 C ALA A 39 -3.820 1.968 -23.306 1.00 0.00 C ATOM 743 O ALA A 39 -3.436 2.936 -22.685 1.00 0.00 O ATOM 744 CB ALA A 39 -3.547 -0.477 -23.201 1.00 0.00 C ATOM 0 H ALA A 39 -1.478 1.824 -22.348 1.00 0.00 H new ATOM 0 HA ALA A 39 -2.750 0.838 -24.706 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -4.516 -0.589 -23.688 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -2.898 -1.303 -23.491 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -3.681 -0.483 -22.119 1.00 0.00 H new ATOM 750 N GLU A 40 -5.030 1.882 -23.789 1.00 0.00 N ATOM 751 CA GLU A 40 -5.949 2.994 -23.571 1.00 0.00 C ATOM 752 C GLU A 40 -7.429 2.594 -23.691 1.00 0.00 C ATOM 753 O GLU A 40 -7.852 1.891 -24.583 1.00 0.00 O ATOM 754 CB GLU A 40 -5.546 4.096 -24.570 1.00 0.00 C ATOM 755 CG GLU A 40 -6.574 4.286 -25.705 1.00 0.00 C ATOM 756 CD GLU A 40 -6.139 5.446 -26.602 1.00 0.00 C ATOM 757 OE1 GLU A 40 -4.952 5.553 -26.863 1.00 0.00 O ATOM 758 OE2 GLU A 40 -6.999 6.207 -27.011 1.00 0.00 O ATOM 0 H GLU A 40 -5.403 1.093 -24.317 1.00 0.00 H new ATOM 0 HA GLU A 40 -5.866 3.354 -22.545 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -5.426 5.038 -24.035 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -4.576 3.849 -25.003 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -6.657 3.371 -26.291 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -7.560 4.487 -25.286 1.00 0.00 H new ATOM 765 N LEU A 41 -8.187 3.108 -22.792 1.00 0.00 N ATOM 766 CA LEU A 41 -9.660 2.863 -22.770 1.00 0.00 C ATOM 767 C LEU A 41 -10.423 4.049 -23.253 1.00 0.00 C ATOM 768 O LEU A 41 -10.739 4.962 -22.521 1.00 0.00 O ATOM 769 CB LEU A 41 -10.133 2.517 -21.375 1.00 0.00 C ATOM 770 CG LEU A 41 -10.069 1.033 -21.214 1.00 0.00 C ATOM 771 CD1 LEU A 41 -10.002 0.692 -19.725 1.00 0.00 C ATOM 772 CD2 LEU A 41 -11.324 0.432 -21.841 1.00 0.00 C ATOM 0 H LEU A 41 -7.850 3.710 -22.040 1.00 0.00 H new ATOM 0 HA LEU A 41 -9.846 2.023 -23.440 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -9.507 3.007 -20.629 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -11.152 2.872 -21.220 1.00 0.00 H new ATOM 0 HG LEU A 41 -9.184 0.627 -21.704 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -9.955 -0.390 -19.601 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -9.113 1.146 -19.287 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -10.890 1.076 -19.223 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -11.300 -0.653 -21.736 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -12.207 0.826 -21.337 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -11.363 0.693 -22.899 1.00 0.00 H new ATOM 784 N ASN A 42 -10.779 3.981 -24.477 1.00 0.00 N ATOM 785 CA ASN A 42 -11.612 5.039 -25.121 1.00 0.00 C ATOM 786 C ASN A 42 -11.241 6.491 -24.705 1.00 0.00 C ATOM 787 O ASN A 42 -12.070 7.383 -24.793 1.00 0.00 O ATOM 788 CB ASN A 42 -13.049 4.795 -24.719 1.00 0.00 C ATOM 789 CG ASN A 42 -13.727 3.871 -25.733 1.00 0.00 C ATOM 790 OD1 ASN A 42 -13.385 2.711 -25.840 1.00 0.00 O ATOM 791 ND2 ASN A 42 -14.684 4.341 -26.485 1.00 0.00 N ATOM 0 H ASN A 42 -10.526 3.212 -25.098 1.00 0.00 H new ATOM 0 HA ASN A 42 -11.441 4.968 -26.195 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -13.086 4.348 -23.726 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -13.585 5.742 -24.663 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -15.145 3.734 -27.163 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -14.971 5.316 -26.395 1.00 0.00 H new ATOM 798 N GLY A 43 -10.048 6.736 -24.260 1.00 0.00 N ATOM 799 CA GLY A 43 -9.675 8.131 -23.847 1.00 0.00 C ATOM 800 C GLY A 43 -8.571 8.085 -22.796 1.00 0.00 C ATOM 801 O GLY A 43 -7.617 8.843 -22.860 1.00 0.00 O ATOM 0 H GLY A 43 -9.309 6.040 -24.160 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -9.339 8.699 -24.715 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -10.548 8.647 -23.447 1.00 0.00 H new ATOM 805 N LYS A 44 -8.671 7.187 -21.841 1.00 0.00 N ATOM 806 CA LYS A 44 -7.633 7.071 -20.830 1.00 0.00 C ATOM 807 C LYS A 44 -6.562 6.209 -21.386 1.00 0.00 C ATOM 808 O LYS A 44 -6.735 5.580 -22.408 1.00 0.00 O ATOM 809 CB LYS A 44 -8.171 6.447 -19.562 1.00 0.00 C ATOM 810 CG LYS A 44 -8.681 7.549 -18.650 1.00 0.00 C ATOM 811 CD LYS A 44 -9.611 6.958 -17.587 1.00 0.00 C ATOM 812 CE LYS A 44 -8.820 6.000 -16.699 1.00 0.00 C ATOM 813 NZ LYS A 44 -8.140 6.768 -15.619 1.00 0.00 N ATOM 0 H LYS A 44 -9.447 6.533 -21.740 1.00 0.00 H new ATOM 0 HA LYS A 44 -7.256 8.062 -20.579 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -8.975 5.750 -19.797 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -7.389 5.875 -19.062 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -7.842 8.054 -18.171 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -9.213 8.299 -19.235 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -10.046 7.755 -16.984 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -10.438 6.431 -18.063 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -9.487 5.255 -16.265 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -8.084 5.460 -17.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -7.758 6.108 -14.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -7.363 7.326 -16.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -8.823 7.406 -15.164 1.00 0.00 H new ATOM 827 N ASP A 45 -5.455 6.185 -20.746 1.00 0.00 N ATOM 828 CA ASP A 45 -4.347 5.377 -21.241 1.00 0.00 C ATOM 829 C ASP A 45 -3.245 5.194 -20.179 1.00 0.00 C ATOM 830 O ASP A 45 -3.338 5.670 -19.064 1.00 0.00 O ATOM 831 CB ASP A 45 -3.818 6.074 -22.514 1.00 0.00 C ATOM 832 CG ASP A 45 -2.576 6.960 -22.246 1.00 0.00 C ATOM 833 OD1 ASP A 45 -2.752 8.049 -21.724 1.00 0.00 O ATOM 834 OD2 ASP A 45 -1.483 6.527 -22.570 1.00 0.00 O ATOM 0 H ASP A 45 -5.268 6.700 -19.886 1.00 0.00 H new ATOM 0 HA ASP A 45 -4.686 4.367 -21.474 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -3.565 5.318 -23.257 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -4.610 6.688 -22.941 1.00 0.00 H new ATOM 839 N GLY A 46 -2.185 4.530 -20.567 1.00 0.00 N ATOM 840 CA GLY A 46 -1.034 4.321 -19.653 1.00 0.00 C ATOM 841 C GLY A 46 -0.714 2.838 -19.488 1.00 0.00 C ATOM 842 O GLY A 46 -1.255 1.990 -20.166 1.00 0.00 O ATOM 0 H GLY A 46 -2.072 4.120 -21.494 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -0.159 4.842 -20.042 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -1.257 4.757 -18.679 1.00 0.00 H new ATOM 846 N PHE A 47 0.201 2.534 -18.600 1.00 0.00 N ATOM 847 CA PHE A 47 0.619 1.118 -18.391 1.00 0.00 C ATOM 848 C PHE A 47 -0.512 0.287 -17.782 1.00 0.00 C ATOM 849 O PHE A 47 -1.321 0.782 -17.017 1.00 0.00 O ATOM 850 CB PHE A 47 1.830 1.081 -17.458 1.00 0.00 C ATOM 851 CG PHE A 47 3.101 1.162 -18.271 1.00 0.00 C ATOM 852 CD1 PHE A 47 3.378 2.308 -19.026 1.00 0.00 C ATOM 853 CD2 PHE A 47 4.003 0.091 -18.268 1.00 0.00 C ATOM 854 CE1 PHE A 47 4.557 2.382 -19.779 1.00 0.00 C ATOM 855 CE2 PHE A 47 5.181 0.166 -19.018 1.00 0.00 C ATOM 856 CZ PHE A 47 5.459 1.311 -19.774 1.00 0.00 C ATOM 0 H PHE A 47 0.678 3.214 -18.008 1.00 0.00 H new ATOM 0 HA PHE A 47 0.873 0.691 -19.361 1.00 0.00 H new ATOM 0 HB2 PHE A 47 1.784 1.911 -16.753 1.00 0.00 H new ATOM 0 HB3 PHE A 47 1.821 0.163 -16.870 1.00 0.00 H new ATOM 0 HD1 PHE A 47 2.683 3.135 -19.028 1.00 0.00 H new ATOM 0 HD2 PHE A 47 3.789 -0.793 -17.686 1.00 0.00 H new ATOM 0 HE1 PHE A 47 4.770 3.265 -20.363 1.00 0.00 H new ATOM 0 HE2 PHE A 47 5.877 -0.660 -19.014 1.00 0.00 H new ATOM 0 HZ PHE A 47 6.369 1.368 -20.353 1.00 0.00 H new ATOM 866 N ILE A 48 -0.562 -0.989 -18.112 1.00 0.00 N ATOM 867 CA ILE A 48 -1.613 -1.873 -17.560 1.00 0.00 C ATOM 868 C ILE A 48 -0.954 -3.213 -17.166 1.00 0.00 C ATOM 869 O ILE A 48 -0.330 -3.828 -17.993 1.00 0.00 O ATOM 870 CB ILE A 48 -2.692 -2.138 -18.630 1.00 0.00 C ATOM 871 CG1 ILE A 48 -2.025 -2.467 -19.985 1.00 0.00 C ATOM 872 CG2 ILE A 48 -3.570 -0.901 -18.785 1.00 0.00 C ATOM 873 CD1 ILE A 48 -2.740 -3.650 -20.641 1.00 0.00 C ATOM 0 H ILE A 48 0.093 -1.446 -18.747 1.00 0.00 H new ATOM 0 HA ILE A 48 -2.079 -1.402 -16.695 1.00 0.00 H new ATOM 0 HB ILE A 48 -3.303 -2.985 -18.317 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -2.065 -1.597 -20.641 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -0.972 -2.705 -19.834 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -4.332 -1.088 -19.541 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -4.051 -0.674 -17.833 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -2.955 -0.055 -19.092 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -2.266 -3.878 -21.596 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -2.677 -4.521 -19.988 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -3.787 -3.396 -20.807 1.00 0.00 H new ATOM 885 N PRO A 49 -1.115 -3.657 -15.926 1.00 0.00 N ATOM 886 CA PRO A 49 -0.527 -4.926 -15.506 1.00 0.00 C ATOM 887 C PRO A 49 -1.150 -6.071 -16.282 1.00 0.00 C ATOM 888 O PRO A 49 -2.287 -6.400 -16.109 1.00 0.00 O ATOM 889 CB PRO A 49 -0.813 -5.013 -14.003 1.00 0.00 C ATOM 890 CG PRO A 49 -1.978 -4.024 -13.741 1.00 0.00 C ATOM 891 CD PRO A 49 -1.897 -2.978 -14.884 1.00 0.00 C ATOM 0 HA PRO A 49 0.544 -4.988 -15.701 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -1.088 -6.028 -13.715 1.00 0.00 H new ATOM 0 HB3 PRO A 49 0.068 -4.744 -13.420 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -2.939 -4.539 -13.747 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -1.877 -3.548 -12.765 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -2.888 -2.701 -15.244 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -1.411 -2.060 -14.553 1.00 0.00 H new ATOM 899 N LYS A 50 -0.390 -6.638 -17.166 1.00 0.00 N ATOM 900 CA LYS A 50 -0.859 -7.757 -18.020 1.00 0.00 C ATOM 901 C LYS A 50 -1.480 -8.908 -17.175 1.00 0.00 C ATOM 902 O LYS A 50 -2.214 -9.718 -17.699 1.00 0.00 O ATOM 903 CB LYS A 50 0.356 -8.271 -18.808 1.00 0.00 C ATOM 904 CG LYS A 50 0.022 -9.571 -19.553 1.00 0.00 C ATOM 905 CD LYS A 50 0.663 -10.745 -18.810 1.00 0.00 C ATOM 906 CE LYS A 50 0.967 -11.873 -19.800 1.00 0.00 C ATOM 907 NZ LYS A 50 2.314 -11.659 -20.402 1.00 0.00 N ATOM 0 H LYS A 50 0.576 -6.361 -17.339 1.00 0.00 H new ATOM 0 HA LYS A 50 -1.643 -7.403 -18.690 1.00 0.00 H new ATOM 0 HB2 LYS A 50 0.678 -7.512 -19.521 1.00 0.00 H new ATOM 0 HB3 LYS A 50 1.189 -8.443 -18.127 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -1.058 -9.706 -19.611 1.00 0.00 H new ATOM 0 HG3 LYS A 50 0.393 -9.525 -20.577 1.00 0.00 H new ATOM 0 HD2 LYS A 50 1.581 -10.421 -18.319 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -0.007 -11.104 -18.029 1.00 0.00 H new ATOM 0 HE2 LYS A 50 0.934 -12.836 -19.291 1.00 0.00 H new ATOM 0 HE3 LYS A 50 0.208 -11.899 -20.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 2.650 -12.548 -20.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 2.253 -10.927 -21.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 2.980 -11.353 -19.664 1.00 0.00 H new ATOM 921 N ASN A 51 -1.180 -8.996 -15.898 1.00 0.00 N ATOM 922 CA ASN A 51 -1.743 -10.072 -15.066 1.00 0.00 C ATOM 923 C ASN A 51 -3.268 -9.947 -15.008 1.00 0.00 C ATOM 924 O ASN A 51 -3.986 -10.924 -14.912 1.00 0.00 O ATOM 925 CB ASN A 51 -1.151 -9.957 -13.700 1.00 0.00 C ATOM 926 CG ASN A 51 0.132 -10.788 -13.611 1.00 0.00 C ATOM 927 OD1 ASN A 51 0.094 -11.998 -13.720 1.00 0.00 O ATOM 928 ND2 ASN A 51 1.273 -10.186 -13.415 1.00 0.00 N ATOM 0 H ASN A 51 -0.560 -8.353 -15.405 1.00 0.00 H new ATOM 0 HA ASN A 51 -1.505 -11.047 -15.491 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -0.933 -8.913 -13.476 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -1.868 -10.300 -12.954 1.00 0.00 H new ATOM 0 HD21 ASN A 51 2.133 -10.731 -13.353 1.00 0.00 H new ATOM 0 HD22 ASN A 51 1.305 -9.171 -13.324 1.00 0.00 H new ATOM 935 N TYR A 52 -3.754 -8.747 -15.103 1.00 0.00 N ATOM 936 CA TYR A 52 -5.216 -8.493 -15.100 1.00 0.00 C ATOM 937 C TYR A 52 -5.668 -8.333 -16.531 1.00 0.00 C ATOM 938 O TYR A 52 -6.607 -7.606 -16.813 1.00 0.00 O ATOM 939 CB TYR A 52 -5.481 -7.179 -14.355 1.00 0.00 C ATOM 940 CG TYR A 52 -5.452 -7.390 -12.909 1.00 0.00 C ATOM 941 CD1 TYR A 52 -4.295 -7.835 -12.286 1.00 0.00 C ATOM 942 CD2 TYR A 52 -6.588 -7.129 -12.181 1.00 0.00 C ATOM 943 CE1 TYR A 52 -4.289 -8.026 -10.927 1.00 0.00 C ATOM 944 CE2 TYR A 52 -6.593 -7.319 -10.827 1.00 0.00 C ATOM 945 CZ TYR A 52 -5.446 -7.772 -10.184 1.00 0.00 C ATOM 946 OH TYR A 52 -5.455 -7.975 -8.832 1.00 0.00 O ATOM 0 H TYR A 52 -3.182 -7.907 -15.185 1.00 0.00 H new ATOM 0 HA TYR A 52 -5.748 -9.314 -14.619 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -4.731 -6.439 -14.635 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -6.451 -6.777 -14.650 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -3.405 -8.030 -12.866 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -7.478 -6.773 -12.679 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -3.393 -8.372 -10.433 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -7.488 -7.117 -10.257 1.00 0.00 H new ATOM 0 HH TYR A 52 -6.338 -7.748 -8.473 1.00 0.00 H new ATOM 956 N ILE A 53 -4.996 -8.980 -17.447 1.00 0.00 N ATOM 957 CA ILE A 53 -5.363 -8.831 -18.858 1.00 0.00 C ATOM 958 C ILE A 53 -5.084 -10.117 -19.637 1.00 0.00 C ATOM 959 O ILE A 53 -4.309 -10.962 -19.233 1.00 0.00 O ATOM 960 CB ILE A 53 -4.532 -7.709 -19.546 1.00 0.00 C ATOM 961 CG1 ILE A 53 -3.833 -6.772 -18.529 1.00 0.00 C ATOM 962 CG2 ILE A 53 -5.413 -6.895 -20.491 1.00 0.00 C ATOM 963 CD1 ILE A 53 -4.811 -5.843 -17.859 1.00 0.00 C ATOM 0 H ILE A 53 -4.209 -9.603 -17.264 1.00 0.00 H new ATOM 0 HA ILE A 53 -6.425 -8.587 -18.870 1.00 0.00 H new ATOM 0 HB ILE A 53 -3.747 -8.205 -20.117 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -3.325 -7.371 -17.773 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -3.068 -6.187 -19.040 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -4.816 -6.115 -20.964 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -5.826 -7.550 -21.258 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -6.226 -6.438 -19.927 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -4.280 -5.203 -17.154 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -5.300 -5.225 -18.612 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -5.561 -6.427 -17.326 1.00 0.00 H new ATOM 975 N GLU A 54 -5.651 -10.194 -20.802 1.00 0.00 N ATOM 976 CA GLU A 54 -5.402 -11.307 -21.708 1.00 0.00 C ATOM 977 C GLU A 54 -5.310 -10.698 -23.102 1.00 0.00 C ATOM 978 O GLU A 54 -5.786 -9.599 -23.331 1.00 0.00 O ATOM 979 CB GLU A 54 -6.505 -12.343 -21.637 1.00 0.00 C ATOM 980 CG GLU A 54 -5.959 -13.650 -21.047 1.00 0.00 C ATOM 981 CD GLU A 54 -5.447 -14.547 -22.176 1.00 0.00 C ATOM 982 OE1 GLU A 54 -4.406 -14.234 -22.730 1.00 0.00 O ATOM 983 OE2 GLU A 54 -6.102 -15.535 -22.465 1.00 0.00 O ATOM 0 H GLU A 54 -6.300 -9.496 -21.164 1.00 0.00 H new ATOM 0 HA GLU A 54 -4.485 -11.832 -21.439 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -7.325 -11.972 -21.023 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -6.909 -12.525 -22.633 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -5.153 -13.435 -20.345 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -6.741 -14.163 -20.487 1.00 0.00 H new ATOM 990 N MET A 55 -4.670 -11.368 -24.008 1.00 0.00 N ATOM 991 CA MET A 55 -4.473 -10.784 -25.384 1.00 0.00 C ATOM 992 C MET A 55 -5.601 -11.128 -26.354 1.00 0.00 C ATOM 993 O MET A 55 -5.711 -12.246 -26.824 1.00 0.00 O ATOM 994 CB MET A 55 -3.154 -11.307 -25.957 1.00 0.00 C ATOM 995 CG MET A 55 -2.558 -10.261 -26.900 1.00 0.00 C ATOM 996 SD MET A 55 -1.062 -10.924 -27.673 1.00 0.00 S ATOM 997 CE MET A 55 -0.123 -9.378 -27.720 1.00 0.00 C ATOM 0 H MET A 55 -4.269 -12.296 -23.870 1.00 0.00 H new ATOM 0 HA MET A 55 -4.465 -9.700 -25.274 1.00 0.00 H new ATOM 0 HB2 MET A 55 -2.455 -11.524 -25.149 1.00 0.00 H new ATOM 0 HB3 MET A 55 -3.323 -12.241 -26.493 1.00 0.00 H new ATOM 0 HG2 MET A 55 -3.285 -9.990 -27.665 1.00 0.00 H new ATOM 0 HG3 MET A 55 -2.322 -9.351 -26.348 1.00 0.00 H new ATOM 0 HE1 MET A 55 0.854 -9.559 -28.168 1.00 0.00 H new ATOM 0 HE2 MET A 55 -0.664 -8.642 -28.314 1.00 0.00 H new ATOM 0 HE3 MET A 55 0.008 -9.001 -26.706 1.00 0.00 H new ATOM 1007 N LYS A 56 -6.419 -10.149 -26.693 1.00 0.00 N ATOM 1008 CA LYS A 56 -7.494 -10.374 -27.648 1.00 0.00 C ATOM 1009 C LYS A 56 -7.122 -9.812 -29.028 1.00 0.00 C ATOM 1010 O LYS A 56 -6.421 -8.803 -29.127 1.00 0.00 O ATOM 1011 CB LYS A 56 -8.744 -9.716 -27.153 1.00 0.00 C ATOM 1012 CG LYS A 56 -9.524 -10.708 -26.308 1.00 0.00 C ATOM 1013 CD LYS A 56 -10.753 -10.022 -25.697 1.00 0.00 C ATOM 1014 CE LYS A 56 -11.636 -9.457 -26.812 1.00 0.00 C ATOM 1015 NZ LYS A 56 -12.047 -10.558 -27.730 1.00 0.00 N ATOM 0 H LYS A 56 -6.363 -9.199 -26.327 1.00 0.00 H new ATOM 0 HA LYS A 56 -7.657 -11.447 -27.747 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -8.497 -8.833 -26.564 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -9.350 -9.379 -27.994 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -9.836 -11.554 -26.920 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -8.887 -11.105 -25.517 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -11.319 -10.735 -25.098 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -10.439 -9.221 -25.027 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -12.517 -8.978 -26.385 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -11.094 -8.691 -27.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -12.858 -10.248 -28.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -11.254 -10.802 -28.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -12.317 -11.393 -27.172 1.00 0.00 H new