USER MOD reduce.3.24.130724 H: found=0, std=0, add=517, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 519 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 25 ASN : amide:sc= -8.72! C(o=-12!,f=-16!) USER MOD Set 1.2: A 69 GLN : amide:sc= -3.03 X(o=-12,f=-12!) USER MOD Single : A 11 GLN :FLIP amide:sc= -0.644 F(o=-1.2,f=-0.64) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -0.0966 K(o=-0.097,f=-0.86) USER MOD Single : A 22 GLN : amide:sc= -0.0458 X(o=-0.046,f=-0.45) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 GLN : amide:sc= -0.453 K(o=-0.45,f=-1.3) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 36:sc= 1.08 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.14 USER MOD Single : A 51 HIS :FLIP no HD1:sc= -3.56 F(o=-5!,f=-3.6) USER MOD Single : A 58 ASN : amide:sc= -9.76! C(o=-9.8!,f=-9.5!) USER MOD Single : A 60 GLN : amide:sc= -0.328 K(o=-0.33,f=-3.2!) USER MOD Single : A 63 LYS NZ :NH3+ -141:sc= -0.426 (180deg=-3.04!) USER MOD Single : A 68 SER OG : rot -73:sc= 0.973 USER MOD Single : A 73 TYR OH : rot -98:sc= -0.737 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 144 N ASP A 10 6.551 -6.615 4.772 1.00 0.00 N ATOM 145 CA ASP A 10 5.516 -5.841 4.107 1.00 0.00 C ATOM 146 C ASP A 10 5.303 -4.528 4.863 1.00 0.00 C ATOM 147 O ASP A 10 6.012 -4.240 5.825 1.00 0.00 O ATOM 148 CB ASP A 10 4.187 -6.599 4.093 1.00 0.00 C ATOM 149 CG ASP A 10 3.946 -7.506 5.301 1.00 0.00 C ATOM 150 OD1 ASP A 10 4.404 -8.668 5.238 1.00 0.00 O ATOM 151 OD2 ASP A 10 3.310 -7.017 6.259 1.00 0.00 O ATOM 0 HA ASP A 10 5.838 -5.656 3.082 1.00 0.00 H new ATOM 0 HB2 ASP A 10 3.374 -5.875 4.033 1.00 0.00 H new ATOM 0 HB3 ASP A 10 4.141 -7.205 3.188 1.00 0.00 H new ATOM 156 N GLN A 11 4.323 -3.767 4.397 1.00 0.00 N ATOM 157 CA GLN A 11 4.008 -2.491 5.016 1.00 0.00 C ATOM 158 C GLN A 11 2.662 -1.972 4.506 1.00 0.00 C ATOM 159 O GLN A 11 2.369 -2.062 3.314 1.00 0.00 O ATOM 160 CB GLN A 11 5.120 -1.470 4.765 1.00 0.00 C ATOM 161 CG GLN A 11 5.006 -0.288 5.730 1.00 0.00 C ATOM 162 CD GLN A 11 5.715 0.947 5.170 1.00 0.00 C ATOM 163 OE1 GLN A 11 4.890 1.856 4.656 1.00 0.00 O flip ATOM 164 NE2 GLN A 11 6.928 1.066 5.201 1.00 0.00 N flip ATOM 0 H GLN A 11 3.737 -4.010 3.598 1.00 0.00 H new ATOM 0 HA GLN A 11 3.934 -2.640 6.093 1.00 0.00 H new ATOM 0 HB2 GLN A 11 6.092 -1.949 4.884 1.00 0.00 H new ATOM 0 HB3 GLN A 11 5.065 -1.112 3.737 1.00 0.00 H new ATOM 0 HG2 GLN A 11 3.955 -0.059 5.908 1.00 0.00 H new ATOM 0 HG3 GLN A 11 5.441 -0.556 6.693 1.00 0.00 H new ATOM 0 HE21 GLN A 11 7.502 0.329 5.611 1.00 0.00 H new ATOM 0 HE22 GLN A 11 7.368 1.902 4.817 1.00 0.00 H new ATOM 173 N VAL A 12 1.880 -1.440 5.433 1.00 0.00 N ATOM 174 CA VAL A 12 0.571 -0.905 5.091 1.00 0.00 C ATOM 175 C VAL A 12 0.694 0.595 4.818 1.00 0.00 C ATOM 176 O VAL A 12 1.716 1.205 5.128 1.00 0.00 O ATOM 177 CB VAL A 12 -0.432 -1.232 6.200 1.00 0.00 C ATOM 178 CG1 VAL A 12 -1.839 -1.414 5.628 1.00 0.00 C ATOM 179 CG2 VAL A 12 0.005 -2.468 6.988 1.00 0.00 C ATOM 0 H VAL A 12 2.126 -1.367 6.420 1.00 0.00 H new ATOM 0 HA VAL A 12 0.192 -1.370 4.181 1.00 0.00 H new ATOM 0 HB VAL A 12 -0.457 -0.388 6.890 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -2.533 -1.646 6.436 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.152 -0.495 5.133 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -1.836 -2.231 4.907 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.725 -2.678 7.770 1.00 0.00 H new ATOM 0 HG22 VAL A 12 0.073 -3.323 6.315 1.00 0.00 H new ATOM 0 HG23 VAL A 12 0.979 -2.285 7.441 1.00 0.00 H new ATOM 189 N LEU A 13 -0.364 1.147 4.241 1.00 0.00 N ATOM 190 CA LEU A 13 -0.387 2.564 3.923 1.00 0.00 C ATOM 191 C LEU A 13 -1.838 3.016 3.735 1.00 0.00 C ATOM 192 O LEU A 13 -2.702 2.212 3.393 1.00 0.00 O ATOM 193 CB LEU A 13 0.508 2.859 2.718 1.00 0.00 C ATOM 194 CG LEU A 13 -0.131 2.659 1.342 1.00 0.00 C ATOM 195 CD1 LEU A 13 -0.470 4.004 0.695 1.00 0.00 C ATOM 196 CD2 LEU A 13 0.759 1.799 0.443 1.00 0.00 C ATOM 0 H LEU A 13 -1.211 0.638 3.986 1.00 0.00 H new ATOM 0 HA LEU A 13 0.026 3.145 4.747 1.00 0.00 H new ATOM 0 HB2 LEU A 13 0.852 3.891 2.790 1.00 0.00 H new ATOM 0 HB3 LEU A 13 1.391 2.223 2.782 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.069 2.120 1.476 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.923 3.834 -0.282 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -1.170 4.547 1.330 1.00 0.00 H new ATOM 0 HD13 LEU A 13 0.441 4.590 0.575 1.00 0.00 H new ATOM 0 HD21 LEU A 13 0.281 1.673 -0.528 1.00 0.00 H new ATOM 0 HD22 LEU A 13 1.724 2.288 0.312 1.00 0.00 H new ATOM 0 HD23 LEU A 13 0.907 0.823 0.904 1.00 0.00 H new ATOM 208 N GLU A 14 -2.059 4.302 3.968 1.00 0.00 N ATOM 209 CA GLU A 14 -3.388 4.870 3.830 1.00 0.00 C ATOM 210 C GLU A 14 -3.540 5.538 2.463 1.00 0.00 C ATOM 211 O GLU A 14 -2.577 6.082 1.923 1.00 0.00 O ATOM 212 CB GLU A 14 -3.683 5.859 4.959 1.00 0.00 C ATOM 213 CG GLU A 14 -4.862 6.765 4.601 1.00 0.00 C ATOM 214 CD GLU A 14 -5.217 7.690 5.767 1.00 0.00 C ATOM 215 OE1 GLU A 14 -5.126 7.211 6.919 1.00 0.00 O ATOM 216 OE2 GLU A 14 -5.572 8.854 5.482 1.00 0.00 O ATOM 0 H GLU A 14 -1.339 4.966 4.252 1.00 0.00 H new ATOM 0 HA GLU A 14 -4.116 4.062 3.901 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -3.905 5.313 5.876 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -2.799 6.467 5.155 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -4.614 7.360 3.722 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -5.727 6.156 4.339 1.00 0.00 H new ATOM 223 N ILE A 15 -4.757 5.477 1.940 1.00 0.00 N ATOM 224 CA ILE A 15 -5.046 6.070 0.646 1.00 0.00 C ATOM 225 C ILE A 15 -6.384 6.809 0.717 1.00 0.00 C ATOM 226 O ILE A 15 -7.338 6.317 1.315 1.00 0.00 O ATOM 227 CB ILE A 15 -4.988 5.009 -0.455 1.00 0.00 C ATOM 228 CG1 ILE A 15 -3.756 4.116 -0.290 1.00 0.00 C ATOM 229 CG2 ILE A 15 -5.047 5.654 -1.841 1.00 0.00 C ATOM 230 CD1 ILE A 15 -3.893 2.835 -1.116 1.00 0.00 C ATOM 0 H ILE A 15 -5.554 5.026 2.390 1.00 0.00 H new ATOM 0 HA ILE A 15 -4.286 6.807 0.387 1.00 0.00 H new ATOM 0 HB ILE A 15 -5.865 4.369 -0.360 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -2.864 4.660 -0.601 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -3.624 3.862 0.762 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -5.004 4.878 -2.605 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -5.977 6.213 -1.943 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -4.202 6.331 -1.963 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -3.004 2.218 -0.981 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -4.772 2.282 -0.786 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -4.000 3.091 -2.170 1.00 0.00 H new ATOM 242 N VAL A 16 -6.410 7.980 0.097 1.00 0.00 N ATOM 243 CA VAL A 16 -7.615 8.793 0.082 1.00 0.00 C ATOM 244 C VAL A 16 -7.906 9.239 -1.352 1.00 0.00 C ATOM 245 O VAL A 16 -7.402 10.268 -1.800 1.00 0.00 O ATOM 246 CB VAL A 16 -7.468 9.964 1.055 1.00 0.00 C ATOM 247 CG1 VAL A 16 -8.615 10.963 0.887 1.00 0.00 C ATOM 248 CG2 VAL A 16 -7.379 9.470 2.500 1.00 0.00 C ATOM 0 H VAL A 16 -5.616 8.385 -0.399 1.00 0.00 H new ATOM 0 HA VAL A 16 -8.472 8.212 0.422 1.00 0.00 H new ATOM 0 HB VAL A 16 -6.537 10.479 0.820 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -8.487 11.786 1.590 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -8.612 11.352 -0.131 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -9.564 10.464 1.082 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -7.275 10.323 3.170 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -8.285 8.918 2.752 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -6.514 8.816 2.608 1.00 0.00 H new ATOM 258 N PRO A 17 -8.740 8.423 -2.051 1.00 0.00 N ATOM 259 CA PRO A 17 -9.103 8.723 -3.425 1.00 0.00 C ATOM 260 C PRO A 17 -10.117 9.867 -3.485 1.00 0.00 C ATOM 261 O PRO A 17 -10.494 10.423 -2.455 1.00 0.00 O ATOM 262 CB PRO A 17 -9.647 7.418 -3.982 1.00 0.00 C ATOM 263 CG PRO A 17 -10.000 6.563 -2.775 1.00 0.00 C ATOM 264 CD PRO A 17 -9.355 7.196 -1.552 1.00 0.00 C ATOM 0 HA PRO A 17 -8.257 9.071 -4.018 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -10.524 7.595 -4.605 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -8.906 6.922 -4.608 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -11.081 6.506 -2.650 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -9.641 5.543 -2.911 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -10.094 7.409 -0.780 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -8.612 6.533 -1.108 1.00 0.00 H new ATOM 272 N SER A 18 -10.531 10.185 -4.703 1.00 0.00 N ATOM 273 CA SER A 18 -11.493 11.253 -4.912 1.00 0.00 C ATOM 274 C SER A 18 -12.316 10.978 -6.172 1.00 0.00 C ATOM 275 O SER A 18 -13.538 11.115 -6.161 1.00 0.00 O ATOM 276 CB SER A 18 -10.795 12.610 -5.021 1.00 0.00 C ATOM 277 OG SER A 18 -11.723 13.692 -4.989 1.00 0.00 O ATOM 0 H SER A 18 -10.217 9.721 -5.556 1.00 0.00 H new ATOM 0 HA SER A 18 -12.159 11.285 -4.050 1.00 0.00 H new ATOM 0 HB2 SER A 18 -10.083 12.718 -4.203 1.00 0.00 H new ATOM 0 HB3 SER A 18 -10.223 12.650 -5.948 1.00 0.00 H new ATOM 0 HG SER A 18 -11.238 14.541 -5.059 1.00 0.00 H new ATOM 283 N ASN A 19 -11.614 10.593 -7.227 1.00 0.00 N ATOM 284 CA ASN A 19 -12.263 10.297 -8.492 1.00 0.00 C ATOM 285 C ASN A 19 -12.255 8.784 -8.722 1.00 0.00 C ATOM 286 O ASN A 19 -11.835 8.022 -7.853 1.00 0.00 O ATOM 287 CB ASN A 19 -11.527 10.957 -9.659 1.00 0.00 C ATOM 288 CG ASN A 19 -12.077 12.359 -9.931 1.00 0.00 C ATOM 289 OD1 ASN A 19 -13.270 12.608 -9.873 1.00 0.00 O ATOM 290 ND2 ASN A 19 -11.143 13.256 -10.232 1.00 0.00 N ATOM 0 H ASN A 19 -10.600 10.479 -7.231 1.00 0.00 H new ATOM 0 HA ASN A 19 -13.282 10.683 -8.446 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -10.462 11.017 -9.435 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -11.630 10.342 -10.553 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -11.408 14.221 -10.432 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -10.162 12.980 -10.263 1.00 0.00 H new ATOM 297 N GLU A 20 -12.723 8.394 -9.899 1.00 0.00 N ATOM 298 CA GLU A 20 -12.773 6.986 -10.256 1.00 0.00 C ATOM 299 C GLU A 20 -11.423 6.531 -10.811 1.00 0.00 C ATOM 300 O GLU A 20 -10.930 5.461 -10.455 1.00 0.00 O ATOM 301 CB GLU A 20 -13.898 6.714 -11.256 1.00 0.00 C ATOM 302 CG GLU A 20 -15.230 6.496 -10.538 1.00 0.00 C ATOM 303 CD GLU A 20 -15.998 7.811 -10.392 1.00 0.00 C ATOM 304 OE1 GLU A 20 -16.349 8.383 -11.447 1.00 0.00 O ATOM 305 OE2 GLU A 20 -16.216 8.216 -9.229 1.00 0.00 O ATOM 0 H GLU A 20 -13.071 9.029 -10.618 1.00 0.00 H new ATOM 0 HA GLU A 20 -12.985 6.410 -9.355 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -13.986 7.553 -11.946 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -13.654 5.835 -11.852 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -15.833 5.779 -11.094 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -15.050 6.065 -9.553 1.00 0.00 H new ATOM 312 N GLU A 21 -10.863 7.363 -11.675 1.00 0.00 N ATOM 313 CA GLU A 21 -9.578 7.060 -12.284 1.00 0.00 C ATOM 314 C GLU A 21 -8.576 6.620 -11.215 1.00 0.00 C ATOM 315 O GLU A 21 -7.966 5.557 -11.330 1.00 0.00 O ATOM 316 CB GLU A 21 -9.049 8.258 -13.073 1.00 0.00 C ATOM 317 CG GLU A 21 -7.541 8.138 -13.305 1.00 0.00 C ATOM 318 CD GLU A 21 -7.214 6.918 -14.169 1.00 0.00 C ATOM 319 OE1 GLU A 21 -7.311 5.796 -13.625 1.00 0.00 O ATOM 320 OE2 GLU A 21 -6.875 7.134 -15.352 1.00 0.00 O ATOM 0 H GLU A 21 -11.275 8.248 -11.969 1.00 0.00 H new ATOM 0 HA GLU A 21 -9.715 6.238 -12.986 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.564 8.323 -14.031 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -9.265 9.179 -12.532 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -7.171 9.041 -13.790 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -7.027 8.058 -12.347 1.00 0.00 H new ATOM 327 N GLN A 22 -8.435 7.460 -10.200 1.00 0.00 N ATOM 328 CA GLN A 22 -7.516 7.171 -9.112 1.00 0.00 C ATOM 329 C GLN A 22 -7.801 5.785 -8.531 1.00 0.00 C ATOM 330 O GLN A 22 -6.877 5.016 -8.267 1.00 0.00 O ATOM 331 CB GLN A 22 -7.595 8.248 -8.028 1.00 0.00 C ATOM 332 CG GLN A 22 -6.601 9.378 -8.303 1.00 0.00 C ATOM 333 CD GLN A 22 -7.295 10.740 -8.264 1.00 0.00 C ATOM 334 OE1 GLN A 22 -7.980 11.145 -9.189 1.00 0.00 O ATOM 335 NE2 GLN A 22 -7.081 11.424 -7.143 1.00 0.00 N ATOM 0 H GLN A 22 -8.942 8.341 -10.108 1.00 0.00 H new ATOM 0 HA GLN A 22 -6.501 7.175 -9.508 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -8.607 8.652 -7.985 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -7.387 7.805 -7.054 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -5.801 9.352 -7.563 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -6.137 9.230 -9.278 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -6.497 11.027 -6.407 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -7.501 12.345 -7.020 1.00 0.00 H new ATOM 344 N ILE A 23 -9.083 5.508 -8.347 1.00 0.00 N ATOM 345 CA ILE A 23 -9.502 4.228 -7.801 1.00 0.00 C ATOM 346 C ILE A 23 -9.222 3.125 -8.824 1.00 0.00 C ATOM 347 O ILE A 23 -8.760 2.043 -8.467 1.00 0.00 O ATOM 348 CB ILE A 23 -10.962 4.290 -7.348 1.00 0.00 C ATOM 349 CG1 ILE A 23 -11.087 4.990 -5.993 1.00 0.00 C ATOM 350 CG2 ILE A 23 -11.591 2.895 -7.333 1.00 0.00 C ATOM 351 CD1 ILE A 23 -12.547 5.322 -5.681 1.00 0.00 C ATOM 0 H ILE A 23 -9.846 6.148 -8.566 1.00 0.00 H new ATOM 0 HA ILE A 23 -8.925 3.989 -6.908 1.00 0.00 H new ATOM 0 HB ILE A 23 -11.519 4.887 -8.071 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -10.680 4.350 -5.210 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -10.495 5.905 -5.996 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -12.629 2.967 -7.007 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -11.554 2.468 -8.335 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -11.039 2.254 -6.645 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -12.608 5.819 -4.713 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -12.943 5.982 -6.453 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -13.132 4.402 -5.655 1.00 0.00 H new ATOM 363 N LYS A 24 -9.512 3.439 -10.078 1.00 0.00 N ATOM 364 CA LYS A 24 -9.298 2.489 -11.156 1.00 0.00 C ATOM 365 C LYS A 24 -7.802 2.190 -11.277 1.00 0.00 C ATOM 366 O LYS A 24 -7.410 1.221 -11.924 1.00 0.00 O ATOM 367 CB LYS A 24 -9.929 2.998 -12.454 1.00 0.00 C ATOM 368 CG LYS A 24 -9.215 2.418 -13.676 1.00 0.00 C ATOM 369 CD LYS A 24 -10.067 2.578 -14.937 1.00 0.00 C ATOM 370 CE LYS A 24 -11.190 1.539 -14.975 1.00 0.00 C ATOM 371 NZ LYS A 24 -11.429 1.086 -16.364 1.00 0.00 N ATOM 0 H LYS A 24 -9.893 4.338 -10.372 1.00 0.00 H new ATOM 0 HA LYS A 24 -9.797 1.545 -10.935 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -10.984 2.725 -12.481 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -9.881 4.087 -12.483 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -8.257 2.920 -13.814 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -9.001 1.362 -13.509 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -10.493 3.581 -14.968 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -9.438 2.472 -15.821 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -10.927 0.687 -14.348 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -12.104 1.967 -14.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -12.194 0.381 -16.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -11.701 1.899 -16.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -10.560 0.659 -16.744 1.00 0.00 H new ATOM 385 N ASN A 25 -7.009 3.040 -10.642 1.00 0.00 N ATOM 386 CA ASN A 25 -5.564 2.880 -10.670 1.00 0.00 C ATOM 387 C ASN A 25 -5.173 1.677 -9.808 1.00 0.00 C ATOM 388 O ASN A 25 -4.551 0.735 -10.296 1.00 0.00 O ATOM 389 CB ASN A 25 -4.862 4.115 -10.104 1.00 0.00 C ATOM 390 CG ASN A 25 -3.492 4.313 -10.757 1.00 0.00 C ATOM 391 OD1 ASN A 25 -2.457 4.270 -10.113 1.00 0.00 O ATOM 392 ND2 ASN A 25 -3.544 4.534 -12.067 1.00 0.00 N ATOM 0 H ASN A 25 -7.339 3.842 -10.105 1.00 0.00 H new ATOM 0 HA ASN A 25 -5.260 2.737 -11.707 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -5.480 4.998 -10.271 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -4.743 4.008 -9.026 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -2.683 4.680 -12.594 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -4.445 4.557 -12.545 1.00 0.00 H new ATOM 399 N LEU A 26 -5.555 1.748 -8.541 1.00 0.00 N ATOM 400 CA LEU A 26 -5.251 0.678 -7.607 1.00 0.00 C ATOM 401 C LEU A 26 -5.610 -0.667 -8.245 1.00 0.00 C ATOM 402 O LEU A 26 -4.744 -1.518 -8.438 1.00 0.00 O ATOM 403 CB LEU A 26 -5.942 0.926 -6.265 1.00 0.00 C ATOM 404 CG LEU A 26 -5.215 0.394 -5.028 1.00 0.00 C ATOM 405 CD1 LEU A 26 -3.993 1.252 -4.700 1.00 0.00 C ATOM 406 CD2 LEU A 26 -6.171 0.278 -3.838 1.00 0.00 C ATOM 0 H LEU A 26 -6.072 2.530 -8.140 1.00 0.00 H new ATOM 0 HA LEU A 26 -4.183 0.654 -7.390 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -6.084 2.000 -6.145 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -6.934 0.476 -6.301 1.00 0.00 H new ATOM 0 HG LEU A 26 -4.853 -0.610 -5.249 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.494 0.852 -3.817 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -3.303 1.239 -5.543 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -4.310 2.277 -4.505 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -5.629 -0.102 -2.972 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -6.583 1.260 -3.606 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -6.982 -0.406 -4.088 1.00 0.00 H new ATOM 418 N LEU A 27 -6.890 -0.814 -8.554 1.00 0.00 N ATOM 419 CA LEU A 27 -7.375 -2.040 -9.165 1.00 0.00 C ATOM 420 C LEU A 27 -6.376 -2.505 -10.227 1.00 0.00 C ATOM 421 O LEU A 27 -5.919 -3.647 -10.197 1.00 0.00 O ATOM 422 CB LEU A 27 -8.796 -1.847 -9.700 1.00 0.00 C ATOM 423 CG LEU A 27 -9.930 -2.167 -8.725 1.00 0.00 C ATOM 424 CD1 LEU A 27 -11.163 -1.310 -9.016 1.00 0.00 C ATOM 425 CD2 LEU A 27 -10.256 -3.662 -8.733 1.00 0.00 C ATOM 0 H LEU A 27 -7.606 -0.105 -8.393 1.00 0.00 H new ATOM 0 HA LEU A 27 -7.444 -2.834 -8.422 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -8.903 -0.812 -10.024 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -8.917 -2.472 -10.585 1.00 0.00 H new ATOM 0 HG LEU A 27 -9.595 -1.916 -7.719 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -11.954 -1.558 -8.308 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -10.905 -0.256 -8.917 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -11.510 -1.505 -10.031 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -11.066 -3.862 -8.031 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -10.562 -3.962 -9.735 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -9.373 -4.229 -8.439 1.00 0.00 H new ATOM 437 N GLN A 28 -6.066 -1.597 -11.140 1.00 0.00 N ATOM 438 CA GLN A 28 -5.129 -1.900 -12.209 1.00 0.00 C ATOM 439 C GLN A 28 -3.813 -2.420 -11.629 1.00 0.00 C ATOM 440 O GLN A 28 -3.204 -3.333 -12.185 1.00 0.00 O ATOM 441 CB GLN A 28 -4.892 -0.674 -13.094 1.00 0.00 C ATOM 442 CG GLN A 28 -4.611 -1.088 -14.540 1.00 0.00 C ATOM 443 CD GLN A 28 -3.228 -0.609 -14.987 1.00 0.00 C ATOM 444 OE1 GLN A 28 -2.269 -1.360 -15.037 1.00 0.00 O ATOM 445 NE2 GLN A 28 -3.182 0.680 -15.311 1.00 0.00 N ATOM 0 H GLN A 28 -6.447 -0.651 -11.162 1.00 0.00 H new ATOM 0 HA GLN A 28 -5.561 -2.681 -12.835 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -5.766 -0.023 -13.062 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -4.051 -0.098 -12.707 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -4.671 -2.173 -14.630 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -5.374 -0.671 -15.197 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -4.024 1.253 -15.246 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -2.305 1.096 -15.624 1.00 0.00 H new ATOM 454 N LEU A 29 -3.412 -1.817 -10.520 1.00 0.00 N ATOM 455 CA LEU A 29 -2.179 -2.209 -9.858 1.00 0.00 C ATOM 456 C LEU A 29 -2.337 -3.619 -9.286 1.00 0.00 C ATOM 457 O LEU A 29 -1.640 -4.543 -9.702 1.00 0.00 O ATOM 458 CB LEU A 29 -1.774 -1.164 -8.817 1.00 0.00 C ATOM 459 CG LEU A 29 -0.719 -1.603 -7.799 1.00 0.00 C ATOM 460 CD1 LEU A 29 0.676 -1.609 -8.426 1.00 0.00 C ATOM 461 CD2 LEU A 29 -0.779 -0.739 -6.539 1.00 0.00 C ATOM 0 H LEU A 29 -3.919 -1.059 -10.063 1.00 0.00 H new ATOM 0 HA LEU A 29 -1.358 -2.246 -10.574 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.400 -0.284 -9.341 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -2.668 -0.856 -8.274 1.00 0.00 H new ATOM 0 HG LEU A 29 -0.940 -2.626 -7.496 1.00 0.00 H new ATOM 0 HD11 LEU A 29 1.408 -1.924 -7.682 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.693 -2.301 -9.268 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.922 -0.606 -8.775 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -0.019 -1.073 -5.833 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -0.597 0.303 -6.803 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -1.764 -0.830 -6.082 1.00 0.00 H new ATOM 473 N GLU A 30 -3.258 -3.739 -8.341 1.00 0.00 N ATOM 474 CA GLU A 30 -3.517 -5.020 -7.707 1.00 0.00 C ATOM 475 C GLU A 30 -3.826 -6.082 -8.764 1.00 0.00 C ATOM 476 O GLU A 30 -3.693 -7.277 -8.506 1.00 0.00 O ATOM 477 CB GLU A 30 -4.655 -4.909 -6.691 1.00 0.00 C ATOM 478 CG GLU A 30 -4.479 -5.922 -5.557 1.00 0.00 C ATOM 479 CD GLU A 30 -5.675 -6.873 -5.481 1.00 0.00 C ATOM 480 OE1 GLU A 30 -5.726 -7.790 -6.329 1.00 0.00 O ATOM 481 OE2 GLU A 30 -6.511 -6.662 -4.575 1.00 0.00 O ATOM 0 H GLU A 30 -3.834 -2.970 -7.999 1.00 0.00 H new ATOM 0 HA GLU A 30 -2.621 -5.324 -7.166 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -4.684 -3.900 -6.281 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -5.610 -5.078 -7.189 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -3.564 -6.494 -5.714 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -4.367 -5.396 -4.609 1.00 0.00 H new ATOM 488 N ALA A 31 -4.235 -5.608 -9.932 1.00 0.00 N ATOM 489 CA ALA A 31 -4.564 -6.502 -11.029 1.00 0.00 C ATOM 490 C ALA A 31 -3.289 -7.184 -11.526 1.00 0.00 C ATOM 491 O ALA A 31 -3.304 -8.368 -11.859 1.00 0.00 O ATOM 492 CB ALA A 31 -5.273 -5.715 -12.134 1.00 0.00 C ATOM 0 H ALA A 31 -4.346 -4.616 -10.142 1.00 0.00 H new ATOM 0 HA ALA A 31 -5.247 -7.283 -10.695 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -5.520 -6.386 -12.957 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -6.188 -5.275 -11.737 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -4.617 -4.923 -12.495 1.00 0.00 H new ATOM 498 N GLN A 32 -2.216 -6.408 -11.560 1.00 0.00 N ATOM 499 CA GLN A 32 -0.934 -6.923 -12.011 1.00 0.00 C ATOM 500 C GLN A 32 -0.547 -8.165 -11.205 1.00 0.00 C ATOM 501 O GLN A 32 0.026 -8.053 -10.123 1.00 0.00 O ATOM 502 CB GLN A 32 0.151 -5.850 -11.918 1.00 0.00 C ATOM 503 CG GLN A 32 0.242 -5.047 -13.217 1.00 0.00 C ATOM 504 CD GLN A 32 0.813 -5.901 -14.352 1.00 0.00 C ATOM 505 OE1 GLN A 32 0.105 -6.621 -15.037 1.00 0.00 O ATOM 506 NE2 GLN A 32 2.127 -5.781 -14.509 1.00 0.00 N ATOM 0 H GLN A 32 -2.208 -5.426 -11.283 1.00 0.00 H new ATOM 0 HA GLN A 32 -1.028 -7.208 -13.059 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -0.066 -5.180 -11.086 1.00 0.00 H new ATOM 0 HB3 GLN A 32 1.113 -6.318 -11.707 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -0.747 -4.683 -13.494 1.00 0.00 H new ATOM 0 HG3 GLN A 32 0.872 -4.171 -13.064 1.00 0.00 H new ATOM 0 HE21 GLN A 32 2.659 -5.159 -13.900 1.00 0.00 H new ATOM 0 HE22 GLN A 32 2.604 -6.310 -15.239 1.00 0.00 H new ATOM 584 N LEU A 37 -1.925 -7.428 -3.767 1.00 0.00 N ATOM 585 CA LEU A 37 -2.249 -6.621 -2.603 1.00 0.00 C ATOM 586 C LEU A 37 -3.728 -6.805 -2.257 1.00 0.00 C ATOM 587 O LEU A 37 -4.554 -7.024 -3.142 1.00 0.00 O ATOM 588 CB LEU A 37 -1.849 -5.162 -2.834 1.00 0.00 C ATOM 589 CG LEU A 37 -0.655 -4.933 -3.763 1.00 0.00 C ATOM 590 CD1 LEU A 37 -1.121 -4.615 -5.185 1.00 0.00 C ATOM 591 CD2 LEU A 37 0.272 -3.851 -3.208 1.00 0.00 C ATOM 0 HA LEU A 37 -1.674 -6.952 -1.738 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -2.709 -4.631 -3.242 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -1.624 -4.710 -1.868 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.078 -5.856 -3.812 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -0.253 -4.456 -5.825 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -1.709 -5.448 -5.570 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.733 -3.713 -5.174 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.112 -3.708 -3.887 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -0.279 -2.915 -3.110 1.00 0.00 H new ATOM 0 HD23 LEU A 37 0.644 -4.157 -2.230 1.00 0.00 H new ATOM 603 N ASP A 38 -4.017 -6.710 -0.967 1.00 0.00 N ATOM 604 CA ASP A 38 -5.382 -6.863 -0.493 1.00 0.00 C ATOM 605 C ASP A 38 -5.856 -5.543 0.118 1.00 0.00 C ATOM 606 O ASP A 38 -5.215 -5.007 1.020 1.00 0.00 O ATOM 607 CB ASP A 38 -5.472 -7.944 0.587 1.00 0.00 C ATOM 608 CG ASP A 38 -5.753 -9.355 0.068 1.00 0.00 C ATOM 609 OD1 ASP A 38 -5.387 -9.614 -1.099 1.00 0.00 O ATOM 610 OD2 ASP A 38 -6.326 -10.144 0.850 1.00 0.00 O ATOM 0 H ASP A 38 -3.329 -6.529 -0.236 1.00 0.00 H new ATOM 0 HA ASP A 38 -6.004 -7.148 -1.341 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -4.535 -7.958 1.145 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -6.258 -7.669 1.291 1.00 0.00 H new ATOM 615 N PHE A 39 -6.976 -5.058 -0.397 1.00 0.00 N ATOM 616 CA PHE A 39 -7.543 -3.811 0.086 1.00 0.00 C ATOM 617 C PHE A 39 -8.412 -4.047 1.323 1.00 0.00 C ATOM 618 O PHE A 39 -9.355 -4.836 1.283 1.00 0.00 O ATOM 619 CB PHE A 39 -8.418 -3.253 -1.037 1.00 0.00 C ATOM 620 CG PHE A 39 -7.665 -2.995 -2.344 1.00 0.00 C ATOM 621 CD1 PHE A 39 -6.346 -2.665 -2.314 1.00 0.00 C ATOM 622 CD2 PHE A 39 -8.314 -3.097 -3.535 1.00 0.00 C ATOM 623 CE1 PHE A 39 -5.647 -2.425 -3.527 1.00 0.00 C ATOM 624 CE2 PHE A 39 -7.615 -2.859 -4.748 1.00 0.00 C ATOM 625 CZ PHE A 39 -6.296 -2.528 -4.718 1.00 0.00 C ATOM 0 H PHE A 39 -7.506 -5.506 -1.144 1.00 0.00 H new ATOM 0 HA PHE A 39 -6.745 -3.121 0.361 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -9.232 -3.952 -1.231 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -8.872 -2.321 -0.701 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -5.830 -2.585 -1.368 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -9.361 -3.359 -3.558 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -4.600 -2.161 -3.504 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -8.130 -2.941 -5.694 1.00 0.00 H new ATOM 0 HZ PHE A 39 -5.764 -2.347 -5.640 1.00 0.00 H new ATOM 635 N TRP A 40 -8.063 -3.350 2.394 1.00 0.00 N ATOM 636 CA TRP A 40 -8.799 -3.473 3.641 1.00 0.00 C ATOM 637 C TRP A 40 -10.142 -2.761 3.470 1.00 0.00 C ATOM 638 O TRP A 40 -11.184 -3.292 3.853 1.00 0.00 O ATOM 639 CB TRP A 40 -7.981 -2.934 4.816 1.00 0.00 C ATOM 640 CG TRP A 40 -6.811 -3.830 5.225 1.00 0.00 C ATOM 641 CD1 TRP A 40 -6.413 -4.977 4.657 1.00 0.00 C ATOM 642 CD2 TRP A 40 -5.897 -3.607 6.319 1.00 0.00 C ATOM 643 NE1 TRP A 40 -5.314 -5.506 5.303 1.00 0.00 N ATOM 644 CE2 TRP A 40 -4.991 -4.646 6.345 1.00 0.00 C ATOM 645 CE3 TRP A 40 -5.839 -2.559 7.255 1.00 0.00 C ATOM 646 CZ2 TRP A 40 -3.960 -4.741 7.288 1.00 0.00 C ATOM 647 CZ3 TRP A 40 -4.803 -2.669 8.191 1.00 0.00 C ATOM 648 CH2 TRP A 40 -3.882 -3.709 8.232 1.00 0.00 C ATOM 0 H TRP A 40 -7.280 -2.698 2.424 1.00 0.00 H new ATOM 0 HA TRP A 40 -8.988 -4.521 3.875 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -7.596 -1.948 4.555 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -8.641 -2.802 5.674 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -6.892 -5.430 3.802 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -4.828 -6.369 5.060 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -6.537 -1.735 7.252 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -3.263 -5.566 7.287 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -4.713 -1.890 8.934 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -3.110 -3.721 8.988 1.00 0.00 H new ATOM 659 N LYS A 41 -10.075 -1.569 2.894 1.00 0.00 N ATOM 660 CA LYS A 41 -11.273 -0.780 2.667 1.00 0.00 C ATOM 661 C LYS A 41 -11.484 -0.600 1.163 1.00 0.00 C ATOM 662 O LYS A 41 -10.850 0.251 0.540 1.00 0.00 O ATOM 663 CB LYS A 41 -11.199 0.539 3.440 1.00 0.00 C ATOM 664 CG LYS A 41 -11.732 0.372 4.864 1.00 0.00 C ATOM 665 CD LYS A 41 -11.839 1.724 5.572 1.00 0.00 C ATOM 666 CE LYS A 41 -13.201 2.372 5.316 1.00 0.00 C ATOM 667 NZ LYS A 41 -13.831 2.776 6.594 1.00 0.00 N ATOM 0 H LYS A 41 -9.210 -1.131 2.578 1.00 0.00 H new ATOM 0 HA LYS A 41 -12.150 -1.300 3.051 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -10.167 0.888 3.473 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -11.777 1.303 2.919 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -12.711 -0.106 4.836 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -11.072 -0.287 5.428 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -11.692 1.590 6.644 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -11.046 2.385 5.222 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -13.081 3.243 4.672 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -13.850 1.673 4.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -14.755 3.214 6.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -13.963 1.938 7.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -13.218 3.460 7.082 1.00 0.00 H new ATOM 681 N SER A 42 -12.376 -1.417 0.621 1.00 0.00 N ATOM 682 CA SER A 42 -12.678 -1.359 -0.799 1.00 0.00 C ATOM 683 C SER A 42 -12.696 0.096 -1.271 1.00 0.00 C ATOM 684 O SER A 42 -13.687 0.800 -1.086 1.00 0.00 O ATOM 685 CB SER A 42 -14.018 -2.032 -1.105 1.00 0.00 C ATOM 686 OG SER A 42 -15.111 -1.346 -0.502 1.00 0.00 O ATOM 0 H SER A 42 -12.899 -2.122 1.140 1.00 0.00 H new ATOM 0 HA SER A 42 -11.899 -1.900 -1.337 1.00 0.00 H new ATOM 0 HB2 SER A 42 -14.166 -2.071 -2.184 1.00 0.00 H new ATOM 0 HB3 SER A 42 -13.996 -3.062 -0.749 1.00 0.00 H new ATOM 0 HG SER A 42 -14.943 -0.381 -0.522 1.00 0.00 H new ATOM 692 N PRO A 43 -11.559 0.514 -1.889 1.00 0.00 N ATOM 693 CA PRO A 43 -11.434 1.873 -2.389 1.00 0.00 C ATOM 694 C PRO A 43 -12.243 2.059 -3.676 1.00 0.00 C ATOM 695 O PRO A 43 -12.251 3.143 -4.256 1.00 0.00 O ATOM 696 CB PRO A 43 -9.943 2.083 -2.589 1.00 0.00 C ATOM 697 CG PRO A 43 -9.328 0.693 -2.638 1.00 0.00 C ATOM 698 CD PRO A 43 -10.365 -0.292 -2.126 1.00 0.00 C ATOM 0 HA PRO A 43 -11.837 2.615 -1.699 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -9.746 2.630 -3.511 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -9.519 2.669 -1.774 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -9.033 0.442 -3.657 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -8.427 0.652 -2.026 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -10.557 -1.079 -2.855 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -10.029 -0.780 -1.211 1.00 0.00 H new ATOM 706 N THR A 44 -12.902 0.984 -4.083 1.00 0.00 N ATOM 707 CA THR A 44 -13.710 1.016 -5.290 1.00 0.00 C ATOM 708 C THR A 44 -14.437 2.357 -5.410 1.00 0.00 C ATOM 709 O THR A 44 -14.701 2.827 -6.516 1.00 0.00 O ATOM 710 CB THR A 44 -14.656 -0.187 -5.257 1.00 0.00 C ATOM 711 OG1 THR A 44 -13.926 -1.220 -5.911 1.00 0.00 O ATOM 712 CG2 THR A 44 -15.890 0.014 -6.139 1.00 0.00 C ATOM 0 H THR A 44 -12.893 0.086 -3.599 1.00 0.00 H new ATOM 0 HA THR A 44 -13.090 0.937 -6.183 1.00 0.00 H new ATOM 0 HB THR A 44 -14.971 -0.373 -4.230 1.00 0.00 H new ATOM 0 HG1 THR A 44 -14.465 -2.038 -5.933 1.00 0.00 H new ATOM 0 HG21 THR A 44 -16.527 -0.868 -6.079 1.00 0.00 H new ATOM 0 HG22 THR A 44 -16.445 0.887 -5.795 1.00 0.00 H new ATOM 0 HG23 THR A 44 -15.578 0.167 -7.172 1.00 0.00 H new ATOM 720 N THR A 45 -14.739 2.935 -4.257 1.00 0.00 N ATOM 721 CA THR A 45 -15.429 4.213 -4.219 1.00 0.00 C ATOM 722 C THR A 45 -14.625 5.230 -3.408 1.00 0.00 C ATOM 723 O THR A 45 -13.833 4.854 -2.545 1.00 0.00 O ATOM 724 CB THR A 45 -16.837 3.973 -3.669 1.00 0.00 C ATOM 725 OG1 THR A 45 -16.640 3.822 -2.266 1.00 0.00 O ATOM 726 CG2 THR A 45 -17.418 2.629 -4.112 1.00 0.00 C ATOM 0 H THR A 45 -14.519 2.542 -3.342 1.00 0.00 H new ATOM 0 HA THR A 45 -15.522 4.642 -5.217 1.00 0.00 H new ATOM 0 HB THR A 45 -17.496 4.777 -3.995 1.00 0.00 H new ATOM 0 HG1 THR A 45 -17.503 3.664 -1.830 1.00 0.00 H new ATOM 0 HG21 THR A 45 -18.418 2.509 -3.694 1.00 0.00 H new ATOM 0 HG22 THR A 45 -17.473 2.597 -5.200 1.00 0.00 H new ATOM 0 HG23 THR A 45 -16.778 1.821 -3.758 1.00 0.00 H new ATOM 734 N PRO A 46 -14.862 6.532 -3.721 1.00 0.00 N ATOM 735 CA PRO A 46 -14.168 7.606 -3.030 1.00 0.00 C ATOM 736 C PRO A 46 -14.732 7.806 -1.622 1.00 0.00 C ATOM 737 O PRO A 46 -15.511 6.986 -1.139 1.00 0.00 O ATOM 738 CB PRO A 46 -14.347 8.826 -3.920 1.00 0.00 C ATOM 739 CG PRO A 46 -15.518 8.506 -4.835 1.00 0.00 C ATOM 740 CD PRO A 46 -15.793 7.014 -4.737 1.00 0.00 C ATOM 0 HA PRO A 46 -13.110 7.393 -2.876 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -14.548 9.717 -3.325 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -13.444 9.025 -4.497 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -16.399 9.077 -4.541 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -15.286 8.785 -5.863 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -16.827 6.820 -4.451 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -15.628 6.517 -5.693 1.00 0.00 H new ATOM 748 N GLY A 47 -14.316 8.902 -1.003 1.00 0.00 N ATOM 749 CA GLY A 47 -14.769 9.220 0.341 1.00 0.00 C ATOM 750 C GLY A 47 -14.546 8.040 1.288 1.00 0.00 C ATOM 751 O GLY A 47 -15.171 7.962 2.345 1.00 0.00 O ATOM 0 H GLY A 47 -13.671 9.580 -1.407 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -14.234 10.094 0.712 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -15.828 9.479 0.320 1.00 0.00 H new ATOM 755 N GLU A 48 -13.654 7.151 0.876 1.00 0.00 N ATOM 756 CA GLU A 48 -13.342 5.978 1.675 1.00 0.00 C ATOM 757 C GLU A 48 -11.834 5.714 1.661 1.00 0.00 C ATOM 758 O GLU A 48 -11.246 5.509 0.602 1.00 0.00 O ATOM 759 CB GLU A 48 -14.118 4.756 1.182 1.00 0.00 C ATOM 760 CG GLU A 48 -15.599 4.863 1.547 1.00 0.00 C ATOM 761 CD GLU A 48 -15.916 4.046 2.800 1.00 0.00 C ATOM 762 OE1 GLU A 48 -16.021 2.808 2.660 1.00 0.00 O ATOM 763 OE2 GLU A 48 -16.046 4.676 3.872 1.00 0.00 O ATOM 0 H GLU A 48 -13.137 7.219 -0.001 1.00 0.00 H new ATOM 0 HA GLU A 48 -13.649 6.170 2.703 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -14.012 4.665 0.101 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -13.696 3.852 1.621 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -15.861 5.908 1.714 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -16.208 4.510 0.715 1.00 0.00 H new ATOM 770 N THR A 49 -11.253 5.727 2.852 1.00 0.00 N ATOM 771 CA THR A 49 -9.826 5.491 2.991 1.00 0.00 C ATOM 772 C THR A 49 -9.513 4.003 2.823 1.00 0.00 C ATOM 773 O THR A 49 -10.295 3.150 3.239 1.00 0.00 O ATOM 774 CB THR A 49 -9.383 6.057 4.341 1.00 0.00 C ATOM 775 OG1 THR A 49 -10.408 5.650 5.243 1.00 0.00 O ATOM 776 CG2 THR A 49 -9.436 7.585 4.381 1.00 0.00 C ATOM 0 H THR A 49 -11.745 5.897 3.729 1.00 0.00 H new ATOM 0 HA THR A 49 -9.262 5.999 2.209 1.00 0.00 H new ATOM 0 HB THR A 49 -8.368 5.723 4.558 1.00 0.00 H new ATOM 0 HG1 THR A 49 -10.199 5.974 6.144 1.00 0.00 H new ATOM 0 HG21 THR A 49 -9.112 7.935 5.361 1.00 0.00 H new ATOM 0 HG22 THR A 49 -8.777 7.992 3.614 1.00 0.00 H new ATOM 0 HG23 THR A 49 -10.457 7.919 4.196 1.00 0.00 H new ATOM 784 N ALA A 50 -8.368 3.737 2.212 1.00 0.00 N ATOM 785 CA ALA A 50 -7.942 2.367 1.983 1.00 0.00 C ATOM 786 C ALA A 50 -6.658 2.099 2.771 1.00 0.00 C ATOM 787 O ALA A 50 -5.895 3.021 3.055 1.00 0.00 O ATOM 788 CB ALA A 50 -7.765 2.131 0.482 1.00 0.00 C ATOM 0 H ALA A 50 -7.722 4.447 1.868 1.00 0.00 H new ATOM 0 HA ALA A 50 -8.698 1.666 2.336 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -7.445 1.103 0.310 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -8.712 2.306 -0.028 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -7.011 2.815 0.093 1.00 0.00 H new ATOM 794 N HIS A 51 -6.459 0.831 3.102 1.00 0.00 N ATOM 795 CA HIS A 51 -5.280 0.429 3.851 1.00 0.00 C ATOM 796 C HIS A 51 -4.906 -1.009 3.488 1.00 0.00 C ATOM 797 O HIS A 51 -5.467 -1.956 4.034 1.00 0.00 O ATOM 798 CB HIS A 51 -5.500 0.624 5.354 1.00 0.00 C ATOM 799 CG HIS A 51 -6.482 1.718 5.694 1.00 0.00 C ATOM 800 ND1 HIS A 51 -6.396 3.072 5.547 1.00 0.00 N flip ATOM 801 CD2 HIS A 51 -7.721 1.465 6.257 1.00 0.00 C flip ATOM 802 CE1 HIS A 51 -7.521 3.616 5.994 1.00 0.00 C flip ATOM 803 NE2 HIS A 51 -8.344 2.621 6.435 1.00 0.00 N flip ATOM 0 H HIS A 51 -7.094 0.069 2.865 1.00 0.00 H new ATOM 0 HA HIS A 51 -4.437 1.065 3.580 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -5.853 -0.313 5.784 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -4.543 0.850 5.825 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -8.113 0.491 6.509 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -7.748 4.672 6.007 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -9.275 2.745 6.832 1.00 0.00 H new ATOM 812 N VAL A 52 -3.960 -1.125 2.567 1.00 0.00 N ATOM 813 CA VAL A 52 -3.503 -2.431 2.125 1.00 0.00 C ATOM 814 C VAL A 52 -2.045 -2.626 2.541 1.00 0.00 C ATOM 815 O VAL A 52 -1.274 -1.668 2.580 1.00 0.00 O ATOM 816 CB VAL A 52 -3.721 -2.578 0.616 1.00 0.00 C ATOM 817 CG1 VAL A 52 -3.585 -1.227 -0.090 1.00 0.00 C ATOM 818 CG2 VAL A 52 -2.757 -3.606 0.022 1.00 0.00 C ATOM 0 H VAL A 52 -3.498 -0.336 2.115 1.00 0.00 H new ATOM 0 HA VAL A 52 -4.083 -3.220 2.603 1.00 0.00 H new ATOM 0 HB VAL A 52 -4.737 -2.939 0.456 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -3.744 -1.358 -1.160 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -4.328 -0.534 0.305 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -2.586 -0.826 0.082 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.932 -3.692 -1.050 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -1.730 -3.286 0.197 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -2.921 -4.574 0.495 1.00 0.00 H new ATOM 828 N ARG A 53 -1.709 -3.872 2.840 1.00 0.00 N ATOM 829 CA ARG A 53 -0.355 -4.204 3.252 1.00 0.00 C ATOM 830 C ARG A 53 0.540 -4.395 2.027 1.00 0.00 C ATOM 831 O ARG A 53 0.717 -5.515 1.551 1.00 0.00 O ATOM 832 CB ARG A 53 -0.334 -5.480 4.096 1.00 0.00 C ATOM 833 CG ARG A 53 -1.321 -5.385 5.260 1.00 0.00 C ATOM 834 CD ARG A 53 -1.030 -6.455 6.315 1.00 0.00 C ATOM 835 NE ARG A 53 -1.838 -7.666 6.044 1.00 0.00 N ATOM 836 CZ ARG A 53 -2.014 -8.662 6.923 1.00 0.00 C ATOM 837 NH1 ARG A 53 -1.441 -8.598 8.132 1.00 0.00 N ATOM 838 NH2 ARG A 53 -2.764 -9.722 6.591 1.00 0.00 N ATOM 0 H ARG A 53 -2.351 -4.664 2.805 1.00 0.00 H new ATOM 0 HA ARG A 53 0.021 -3.377 3.855 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -0.585 -6.337 3.471 1.00 0.00 H new ATOM 0 HB3 ARG A 53 0.672 -5.649 4.481 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -1.260 -4.396 5.714 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -2.339 -5.503 4.889 1.00 0.00 H new ATOM 0 HD2 ARG A 53 0.031 -6.706 6.307 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -1.259 -6.070 7.309 1.00 0.00 H new ATOM 0 HE ARG A 53 -2.288 -7.747 5.132 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -0.870 -7.791 8.384 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -1.575 -9.356 8.801 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -3.200 -9.770 5.670 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -2.899 -10.481 7.259 1.00 0.00 H new ATOM 852 N VAL A 54 1.082 -3.283 1.550 1.00 0.00 N ATOM 853 CA VAL A 54 1.956 -3.313 0.390 1.00 0.00 C ATOM 854 C VAL A 54 3.367 -3.708 0.830 1.00 0.00 C ATOM 855 O VAL A 54 3.816 -3.325 1.908 1.00 0.00 O ATOM 856 CB VAL A 54 1.910 -1.967 -0.335 1.00 0.00 C ATOM 857 CG1 VAL A 54 2.970 -1.900 -1.436 1.00 0.00 C ATOM 858 CG2 VAL A 54 0.515 -1.697 -0.901 1.00 0.00 C ATOM 0 H VAL A 54 0.932 -2.355 1.947 1.00 0.00 H new ATOM 0 HA VAL A 54 1.617 -4.063 -0.325 1.00 0.00 H new ATOM 0 HB VAL A 54 2.134 -1.187 0.393 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.915 -0.933 -1.935 1.00 0.00 H new ATOM 0 HG12 VAL A 54 3.959 -2.026 -0.997 1.00 0.00 H new ATOM 0 HG13 VAL A 54 2.792 -2.694 -2.162 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.510 -0.734 -1.411 1.00 0.00 H new ATOM 0 HG22 VAL A 54 0.251 -2.484 -1.608 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -0.211 -1.681 -0.088 1.00 0.00 H new ATOM 868 N PRO A 55 4.045 -4.490 -0.053 1.00 0.00 N ATOM 869 CA PRO A 55 5.396 -4.942 0.234 1.00 0.00 C ATOM 870 C PRO A 55 6.404 -3.805 0.054 1.00 0.00 C ATOM 871 O PRO A 55 6.345 -3.067 -0.929 1.00 0.00 O ATOM 872 CB PRO A 55 5.634 -6.102 -0.719 1.00 0.00 C ATOM 873 CG PRO A 55 4.591 -5.961 -1.816 1.00 0.00 C ATOM 874 CD PRO A 55 3.547 -4.964 -1.340 1.00 0.00 C ATOM 0 HA PRO A 55 5.522 -5.262 1.269 1.00 0.00 H new ATOM 0 HB2 PRO A 55 6.642 -6.068 -1.132 1.00 0.00 H new ATOM 0 HB3 PRO A 55 5.533 -7.057 -0.204 1.00 0.00 H new ATOM 0 HG2 PRO A 55 5.054 -5.617 -2.741 1.00 0.00 H new ATOM 0 HG3 PRO A 55 4.129 -6.925 -2.030 1.00 0.00 H new ATOM 0 HD2 PRO A 55 3.433 -4.142 -2.047 1.00 0.00 H new ATOM 0 HD3 PRO A 55 2.569 -5.434 -1.237 1.00 0.00 H new ATOM 882 N PHE A 56 7.307 -3.697 1.018 1.00 0.00 N ATOM 883 CA PHE A 56 8.326 -2.663 0.978 1.00 0.00 C ATOM 884 C PHE A 56 9.010 -2.619 -0.389 1.00 0.00 C ATOM 885 O PHE A 56 9.323 -1.544 -0.897 1.00 0.00 O ATOM 886 CB PHE A 56 9.365 -3.017 2.045 1.00 0.00 C ATOM 887 CG PHE A 56 10.162 -1.816 2.558 1.00 0.00 C ATOM 888 CD1 PHE A 56 9.515 -0.752 3.105 1.00 0.00 C ATOM 889 CD2 PHE A 56 11.519 -1.813 2.466 1.00 0.00 C ATOM 890 CE1 PHE A 56 10.256 0.362 3.582 1.00 0.00 C ATOM 891 CE2 PHE A 56 12.260 -0.699 2.943 1.00 0.00 C ATOM 892 CZ PHE A 56 11.613 0.365 3.490 1.00 0.00 C ATOM 0 H PHE A 56 7.354 -4.310 1.832 1.00 0.00 H new ATOM 0 HA PHE A 56 7.874 -1.688 1.159 1.00 0.00 H new ATOM 0 HB2 PHE A 56 8.860 -3.491 2.886 1.00 0.00 H new ATOM 0 HB3 PHE A 56 10.058 -3.751 1.634 1.00 0.00 H new ATOM 0 HD1 PHE A 56 8.437 -0.754 3.177 1.00 0.00 H new ATOM 0 HD2 PHE A 56 12.033 -2.657 2.030 1.00 0.00 H new ATOM 0 HE1 PHE A 56 9.742 1.206 4.018 1.00 0.00 H new ATOM 0 HE2 PHE A 56 13.338 -0.697 2.871 1.00 0.00 H new ATOM 0 HZ PHE A 56 12.177 1.212 3.851 1.00 0.00 H new ATOM 902 N VAL A 57 9.223 -3.802 -0.947 1.00 0.00 N ATOM 903 CA VAL A 57 9.864 -3.914 -2.246 1.00 0.00 C ATOM 904 C VAL A 57 8.975 -3.262 -3.306 1.00 0.00 C ATOM 905 O VAL A 57 9.451 -2.896 -4.380 1.00 0.00 O ATOM 906 CB VAL A 57 10.180 -5.380 -2.550 1.00 0.00 C ATOM 907 CG1 VAL A 57 8.982 -6.276 -2.232 1.00 0.00 C ATOM 908 CG2 VAL A 57 10.626 -5.554 -4.003 1.00 0.00 C ATOM 0 H VAL A 57 8.963 -4.692 -0.522 1.00 0.00 H new ATOM 0 HA VAL A 57 10.816 -3.383 -2.249 1.00 0.00 H new ATOM 0 HB VAL A 57 11.006 -5.686 -1.908 1.00 0.00 H new ATOM 0 HG11 VAL A 57 9.233 -7.313 -2.457 1.00 0.00 H new ATOM 0 HG12 VAL A 57 8.730 -6.185 -1.176 1.00 0.00 H new ATOM 0 HG13 VAL A 57 8.128 -5.970 -2.837 1.00 0.00 H new ATOM 0 HG21 VAL A 57 10.845 -6.605 -4.193 1.00 0.00 H new ATOM 0 HG22 VAL A 57 9.830 -5.222 -4.670 1.00 0.00 H new ATOM 0 HG23 VAL A 57 11.521 -4.959 -4.182 1.00 0.00 H new ATOM 918 N ASN A 58 7.700 -3.135 -2.968 1.00 0.00 N ATOM 919 CA ASN A 58 6.741 -2.534 -3.878 1.00 0.00 C ATOM 920 C ASN A 58 6.357 -1.145 -3.362 1.00 0.00 C ATOM 921 O ASN A 58 5.848 -0.318 -4.117 1.00 0.00 O ATOM 922 CB ASN A 58 5.465 -3.374 -3.968 1.00 0.00 C ATOM 923 CG ASN A 58 4.531 -2.838 -5.055 1.00 0.00 C ATOM 924 OD1 ASN A 58 4.954 -2.272 -6.050 1.00 0.00 O ATOM 925 ND2 ASN A 58 3.241 -3.046 -4.810 1.00 0.00 N ATOM 0 H ASN A 58 7.309 -3.438 -2.076 1.00 0.00 H new ATOM 0 HA ASN A 58 7.203 -2.474 -4.863 1.00 0.00 H new ATOM 0 HB2 ASN A 58 5.722 -4.411 -4.184 1.00 0.00 H new ATOM 0 HB3 ASN A 58 4.952 -3.366 -3.006 1.00 0.00 H new ATOM 0 HD21 ASN A 58 2.537 -2.725 -5.475 1.00 0.00 H new ATOM 0 HD22 ASN A 58 2.955 -3.527 -3.957 1.00 0.00 H new ATOM 932 N VAL A 59 6.616 -0.932 -2.080 1.00 0.00 N ATOM 933 CA VAL A 59 6.304 0.342 -1.456 1.00 0.00 C ATOM 934 C VAL A 59 6.765 1.480 -2.369 1.00 0.00 C ATOM 935 O VAL A 59 6.002 2.402 -2.650 1.00 0.00 O ATOM 936 CB VAL A 59 6.927 0.406 -0.059 1.00 0.00 C ATOM 937 CG1 VAL A 59 7.283 1.846 0.316 1.00 0.00 C ATOM 938 CG2 VAL A 59 5.998 -0.218 0.984 1.00 0.00 C ATOM 0 H VAL A 59 7.038 -1.620 -1.457 1.00 0.00 H new ATOM 0 HA VAL A 59 5.227 0.449 -1.323 1.00 0.00 H new ATOM 0 HB VAL A 59 7.850 -0.174 -0.076 1.00 0.00 H new ATOM 0 HG11 VAL A 59 7.724 1.864 1.313 1.00 0.00 H new ATOM 0 HG12 VAL A 59 7.998 2.243 -0.404 1.00 0.00 H new ATOM 0 HG13 VAL A 59 6.381 2.458 0.307 1.00 0.00 H new ATOM 0 HG21 VAL A 59 6.464 -0.160 1.968 1.00 0.00 H new ATOM 0 HG22 VAL A 59 5.052 0.323 0.998 1.00 0.00 H new ATOM 0 HG23 VAL A 59 5.815 -1.262 0.730 1.00 0.00 H new ATOM 948 N GLN A 60 8.011 1.377 -2.806 1.00 0.00 N ATOM 949 CA GLN A 60 8.583 2.385 -3.682 1.00 0.00 C ATOM 950 C GLN A 60 7.770 2.489 -4.974 1.00 0.00 C ATOM 951 O GLN A 60 7.093 3.489 -5.206 1.00 0.00 O ATOM 952 CB GLN A 60 10.053 2.082 -3.981 1.00 0.00 C ATOM 953 CG GLN A 60 10.840 3.371 -4.224 1.00 0.00 C ATOM 954 CD GLN A 60 11.842 3.622 -3.095 1.00 0.00 C ATOM 955 OE1 GLN A 60 11.995 2.831 -2.178 1.00 0.00 O ATOM 956 NE2 GLN A 60 12.515 4.763 -3.212 1.00 0.00 N ATOM 0 H GLN A 60 8.641 0.610 -2.570 1.00 0.00 H new ATOM 0 HA GLN A 60 8.542 3.347 -3.172 1.00 0.00 H new ATOM 0 HB2 GLN A 60 10.492 1.535 -3.147 1.00 0.00 H new ATOM 0 HB3 GLN A 60 10.124 1.438 -4.857 1.00 0.00 H new ATOM 0 HG2 GLN A 60 11.368 3.305 -5.176 1.00 0.00 H new ATOM 0 HG3 GLN A 60 10.152 4.213 -4.298 1.00 0.00 H new ATOM 0 HE21 GLN A 60 12.339 5.380 -4.005 1.00 0.00 H new ATOM 0 HE22 GLN A 60 13.208 5.021 -2.509 1.00 0.00 H new ATOM 965 N ALA A 61 7.864 1.442 -5.780 1.00 0.00 N ATOM 966 CA ALA A 61 7.146 1.403 -7.043 1.00 0.00 C ATOM 967 C ALA A 61 5.706 1.867 -6.819 1.00 0.00 C ATOM 968 O ALA A 61 5.094 2.456 -7.710 1.00 0.00 O ATOM 969 CB ALA A 61 7.220 -0.008 -7.628 1.00 0.00 C ATOM 0 H ALA A 61 8.426 0.614 -5.583 1.00 0.00 H new ATOM 0 HA ALA A 61 7.602 2.080 -7.766 1.00 0.00 H new ATOM 0 HB1 ALA A 61 6.682 -0.038 -8.575 1.00 0.00 H new ATOM 0 HB2 ALA A 61 8.263 -0.279 -7.795 1.00 0.00 H new ATOM 0 HB3 ALA A 61 6.769 -0.715 -6.932 1.00 0.00 H new ATOM 975 N VAL A 62 5.204 1.585 -5.625 1.00 0.00 N ATOM 976 CA VAL A 62 3.848 1.967 -5.274 1.00 0.00 C ATOM 977 C VAL A 62 3.805 3.466 -4.972 1.00 0.00 C ATOM 978 O VAL A 62 2.884 4.163 -5.394 1.00 0.00 O ATOM 979 CB VAL A 62 3.348 1.108 -4.110 1.00 0.00 C ATOM 980 CG1 VAL A 62 1.990 1.604 -3.607 1.00 0.00 C ATOM 981 CG2 VAL A 62 3.279 -0.368 -4.508 1.00 0.00 C ATOM 0 H VAL A 62 5.713 1.096 -4.889 1.00 0.00 H new ATOM 0 HA VAL A 62 3.172 1.785 -6.110 1.00 0.00 H new ATOM 0 HB VAL A 62 4.063 1.202 -3.293 1.00 0.00 H new ATOM 0 HG11 VAL A 62 1.657 0.977 -2.780 1.00 0.00 H new ATOM 0 HG12 VAL A 62 2.083 2.635 -3.266 1.00 0.00 H new ATOM 0 HG13 VAL A 62 1.262 1.554 -4.416 1.00 0.00 H new ATOM 0 HG21 VAL A 62 2.921 -0.956 -3.663 1.00 0.00 H new ATOM 0 HG22 VAL A 62 2.595 -0.487 -5.349 1.00 0.00 H new ATOM 0 HG23 VAL A 62 4.272 -0.714 -4.796 1.00 0.00 H new ATOM 991 N LYS A 63 4.815 3.918 -4.241 1.00 0.00 N ATOM 992 CA LYS A 63 4.905 5.322 -3.878 1.00 0.00 C ATOM 993 C LYS A 63 4.955 6.172 -5.149 1.00 0.00 C ATOM 994 O LYS A 63 4.448 7.292 -5.171 1.00 0.00 O ATOM 995 CB LYS A 63 6.087 5.556 -2.936 1.00 0.00 C ATOM 996 CG LYS A 63 5.719 5.198 -1.493 1.00 0.00 C ATOM 997 CD LYS A 63 5.928 6.393 -0.561 1.00 0.00 C ATOM 998 CE LYS A 63 4.998 6.313 0.650 1.00 0.00 C ATOM 999 NZ LYS A 63 5.606 5.488 1.718 1.00 0.00 N ATOM 0 H LYS A 63 5.577 3.337 -3.891 1.00 0.00 H new ATOM 0 HA LYS A 63 4.018 5.629 -3.324 1.00 0.00 H new ATOM 0 HB2 LYS A 63 6.937 4.955 -3.258 1.00 0.00 H new ATOM 0 HB3 LYS A 63 6.397 6.600 -2.988 1.00 0.00 H new ATOM 0 HG2 LYS A 63 4.679 4.875 -1.449 1.00 0.00 H new ATOM 0 HG3 LYS A 63 6.328 4.359 -1.156 1.00 0.00 H new ATOM 0 HD2 LYS A 63 6.965 6.421 -0.226 1.00 0.00 H new ATOM 0 HD3 LYS A 63 5.744 7.319 -1.105 1.00 0.00 H new ATOM 0 HE2 LYS A 63 4.796 7.315 1.027 1.00 0.00 H new ATOM 0 HE3 LYS A 63 4.040 5.885 0.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 4.871 4.907 2.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 6.333 4.868 1.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 6.043 6.108 2.430 1.00 0.00 H new ATOM 1013 N VAL A 64 5.570 5.606 -6.178 1.00 0.00 N ATOM 1014 CA VAL A 64 5.691 6.297 -7.449 1.00 0.00 C ATOM 1015 C VAL A 64 4.363 6.208 -8.204 1.00 0.00 C ATOM 1016 O VAL A 64 3.996 7.127 -8.934 1.00 0.00 O ATOM 1017 CB VAL A 64 6.869 5.729 -8.244 1.00 0.00 C ATOM 1018 CG1 VAL A 64 6.780 6.127 -9.717 1.00 0.00 C ATOM 1019 CG2 VAL A 64 8.202 6.168 -7.637 1.00 0.00 C ATOM 0 H VAL A 64 5.990 4.677 -6.156 1.00 0.00 H new ATOM 0 HA VAL A 64 5.903 7.354 -7.289 1.00 0.00 H new ATOM 0 HB VAL A 64 6.817 4.642 -8.188 1.00 0.00 H new ATOM 0 HG11 VAL A 64 7.629 5.710 -10.258 1.00 0.00 H new ATOM 0 HG12 VAL A 64 5.854 5.741 -10.143 1.00 0.00 H new ATOM 0 HG13 VAL A 64 6.794 7.214 -9.802 1.00 0.00 H new ATOM 0 HG21 VAL A 64 9.023 5.751 -8.221 1.00 0.00 H new ATOM 0 HG22 VAL A 64 8.266 7.256 -7.647 1.00 0.00 H new ATOM 0 HG23 VAL A 64 8.269 5.810 -6.610 1.00 0.00 H new ATOM 1029 N PHE A 65 3.677 5.092 -8.000 1.00 0.00 N ATOM 1030 CA PHE A 65 2.398 4.870 -8.650 1.00 0.00 C ATOM 1031 C PHE A 65 1.348 5.867 -8.152 1.00 0.00 C ATOM 1032 O PHE A 65 0.750 6.592 -8.945 1.00 0.00 O ATOM 1033 CB PHE A 65 1.950 3.453 -8.287 1.00 0.00 C ATOM 1034 CG PHE A 65 0.787 2.932 -9.134 1.00 0.00 C ATOM 1035 CD1 PHE A 65 0.912 2.852 -10.485 1.00 0.00 C ATOM 1036 CD2 PHE A 65 -0.372 2.548 -8.533 1.00 0.00 C ATOM 1037 CE1 PHE A 65 -0.168 2.368 -11.270 1.00 0.00 C ATOM 1038 CE2 PHE A 65 -1.451 2.065 -9.318 1.00 0.00 C ATOM 1039 CZ PHE A 65 -1.327 1.985 -10.671 1.00 0.00 C ATOM 0 H PHE A 65 3.984 4.332 -7.393 1.00 0.00 H new ATOM 0 HA PHE A 65 2.502 5.000 -9.727 1.00 0.00 H new ATOM 0 HB2 PHE A 65 2.797 2.776 -8.396 1.00 0.00 H new ATOM 0 HB3 PHE A 65 1.659 3.433 -7.237 1.00 0.00 H new ATOM 0 HD1 PHE A 65 1.832 3.156 -10.961 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -0.471 2.611 -7.459 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -0.069 2.304 -12.344 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -2.371 1.761 -8.841 1.00 0.00 H new ATOM 0 HZ PHE A 65 -2.148 1.618 -11.268 1.00 0.00 H new ATOM 1049 N LEU A 66 1.159 5.872 -6.841 1.00 0.00 N ATOM 1050 CA LEU A 66 0.193 6.767 -6.227 1.00 0.00 C ATOM 1051 C LEU A 66 0.370 8.174 -6.804 1.00 0.00 C ATOM 1052 O LEU A 66 -0.580 8.760 -7.319 1.00 0.00 O ATOM 1053 CB LEU A 66 0.303 6.711 -4.702 1.00 0.00 C ATOM 1054 CG LEU A 66 -0.327 5.489 -4.030 1.00 0.00 C ATOM 1055 CD1 LEU A 66 0.679 4.784 -3.119 1.00 0.00 C ATOM 1056 CD2 LEU A 66 -1.605 5.875 -3.281 1.00 0.00 C ATOM 0 H LEU A 66 1.659 5.270 -6.186 1.00 0.00 H new ATOM 0 HA LEU A 66 -0.823 6.449 -6.462 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.358 6.746 -4.432 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -0.161 7.607 -4.291 1.00 0.00 H new ATOM 0 HG LEU A 66 -0.609 4.779 -4.807 1.00 0.00 H new ATOM 0 HD11 LEU A 66 0.205 3.919 -2.654 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.535 4.456 -3.708 1.00 0.00 H new ATOM 0 HD13 LEU A 66 1.014 5.474 -2.345 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.034 4.989 -2.812 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -1.369 6.613 -2.514 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.324 6.298 -3.982 1.00 0.00 H new ATOM 1068 N GLU A 67 1.593 8.672 -6.699 1.00 0.00 N ATOM 1069 CA GLU A 67 1.905 9.999 -7.204 1.00 0.00 C ATOM 1070 C GLU A 67 1.559 10.096 -8.691 1.00 0.00 C ATOM 1071 O GLU A 67 0.930 11.060 -9.124 1.00 0.00 O ATOM 1072 CB GLU A 67 3.375 10.346 -6.959 1.00 0.00 C ATOM 1073 CG GLU A 67 3.557 11.044 -5.610 1.00 0.00 C ATOM 1074 CD GLU A 67 3.480 12.564 -5.764 1.00 0.00 C ATOM 1075 OE1 GLU A 67 3.774 13.037 -6.884 1.00 0.00 O ATOM 1076 OE2 GLU A 67 3.127 13.220 -4.761 1.00 0.00 O ATOM 0 H GLU A 67 2.379 8.182 -6.272 1.00 0.00 H new ATOM 0 HA GLU A 67 1.299 10.725 -6.662 1.00 0.00 H new ATOM 0 HB2 GLU A 67 3.976 9.437 -6.986 1.00 0.00 H new ATOM 0 HB3 GLU A 67 3.738 10.992 -7.758 1.00 0.00 H new ATOM 0 HG2 GLU A 67 2.788 10.706 -4.915 1.00 0.00 H new ATOM 0 HG3 GLU A 67 4.520 10.767 -5.180 1.00 0.00 H new ATOM 1083 N SER A 68 1.985 9.084 -9.432 1.00 0.00 N ATOM 1084 CA SER A 68 1.728 9.043 -10.862 1.00 0.00 C ATOM 1085 C SER A 68 0.231 9.210 -11.129 1.00 0.00 C ATOM 1086 O SER A 68 -0.164 9.953 -12.027 1.00 0.00 O ATOM 1087 CB SER A 68 2.233 7.736 -11.475 1.00 0.00 C ATOM 1088 OG SER A 68 1.235 6.719 -11.462 1.00 0.00 O ATOM 0 H SER A 68 2.506 8.286 -9.069 1.00 0.00 H new ATOM 0 HA SER A 68 2.269 9.865 -11.330 1.00 0.00 H new ATOM 0 HB2 SER A 68 2.553 7.917 -12.501 1.00 0.00 H new ATOM 0 HB3 SER A 68 3.108 7.392 -10.924 1.00 0.00 H new ATOM 0 HG SER A 68 1.117 6.388 -10.547 1.00 0.00 H new ATOM 1094 N GLN A 69 -0.562 8.508 -10.332 1.00 0.00 N ATOM 1095 CA GLN A 69 -2.007 8.570 -10.471 1.00 0.00 C ATOM 1096 C GLN A 69 -2.554 9.824 -9.786 1.00 0.00 C ATOM 1097 O GLN A 69 -3.766 9.980 -9.643 1.00 0.00 O ATOM 1098 CB GLN A 69 -2.667 7.307 -9.913 1.00 0.00 C ATOM 1099 CG GLN A 69 -2.348 7.135 -8.427 1.00 0.00 C ATOM 1100 CD GLN A 69 -3.166 5.994 -7.819 1.00 0.00 C ATOM 1101 OE1 GLN A 69 -2.642 5.072 -7.215 1.00 0.00 O ATOM 1102 NE2 GLN A 69 -4.478 6.107 -8.012 1.00 0.00 N ATOM 0 H GLN A 69 -0.231 7.894 -9.588 1.00 0.00 H new ATOM 0 HA GLN A 69 -2.248 8.627 -11.533 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -3.746 7.364 -10.053 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -2.319 6.435 -10.467 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -1.285 6.932 -8.301 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -2.561 8.063 -7.896 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -4.851 6.905 -8.527 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -5.111 5.396 -7.645 1.00 0.00 H new ATOM 1111 N GLY A 70 -1.633 10.685 -9.379 1.00 0.00 N ATOM 1112 CA GLY A 70 -2.008 11.921 -8.712 1.00 0.00 C ATOM 1113 C GLY A 70 -2.993 11.651 -7.573 1.00 0.00 C ATOM 1114 O GLY A 70 -4.060 12.261 -7.513 1.00 0.00 O ATOM 0 H GLY A 70 -0.629 10.552 -9.498 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -1.117 12.411 -8.319 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -2.457 12.605 -9.432 1.00 0.00 H new ATOM 1118 N ILE A 71 -2.601 10.737 -6.698 1.00 0.00 N ATOM 1119 CA ILE A 71 -3.437 10.379 -5.564 1.00 0.00 C ATOM 1120 C ILE A 71 -2.773 10.864 -4.274 1.00 0.00 C ATOM 1121 O ILE A 71 -1.679 11.426 -4.307 1.00 0.00 O ATOM 1122 CB ILE A 71 -3.741 8.880 -5.574 1.00 0.00 C ATOM 1123 CG1 ILE A 71 -4.981 8.567 -4.735 1.00 0.00 C ATOM 1124 CG2 ILE A 71 -2.524 8.071 -5.122 1.00 0.00 C ATOM 1125 CD1 ILE A 71 -5.758 7.386 -5.324 1.00 0.00 C ATOM 0 H ILE A 71 -1.716 10.233 -6.751 1.00 0.00 H new ATOM 0 HA ILE A 71 -4.404 10.876 -5.632 1.00 0.00 H new ATOM 0 HB ILE A 71 -3.962 8.583 -6.599 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -4.684 8.337 -3.712 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -5.625 9.445 -4.690 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -2.767 7.009 -5.138 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -1.689 8.263 -5.796 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -2.248 8.365 -4.109 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -6.635 7.184 -4.709 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -6.075 7.628 -6.338 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -5.118 6.504 -5.345 1.00 0.00 H new ATOM 1137 N ALA A 72 -3.462 10.628 -3.167 1.00 0.00 N ATOM 1138 CA ALA A 72 -2.952 11.033 -1.867 1.00 0.00 C ATOM 1139 C ALA A 72 -3.010 9.842 -0.908 1.00 0.00 C ATOM 1140 O ALA A 72 -4.077 9.276 -0.679 1.00 0.00 O ATOM 1141 CB ALA A 72 -3.754 12.233 -1.356 1.00 0.00 C ATOM 0 H ALA A 72 -4.369 10.162 -3.143 1.00 0.00 H new ATOM 0 HA ALA A 72 -1.910 11.345 -1.943 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -3.372 12.537 -0.381 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -3.657 13.061 -2.058 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -4.804 11.956 -1.264 1.00 0.00 H new ATOM 1147 N TYR A 73 -1.847 9.499 -0.374 1.00 0.00 N ATOM 1148 CA TYR A 73 -1.751 8.386 0.556 1.00 0.00 C ATOM 1149 C TYR A 73 -1.005 8.796 1.827 1.00 0.00 C ATOM 1150 O TYR A 73 -0.747 9.979 2.046 1.00 0.00 O ATOM 1151 CB TYR A 73 -0.947 7.303 -0.166 1.00 0.00 C ATOM 1152 CG TYR A 73 0.208 7.843 -1.011 1.00 0.00 C ATOM 1153 CD1 TYR A 73 -0.054 8.592 -2.140 1.00 0.00 C ATOM 1154 CD2 TYR A 73 1.513 7.583 -0.643 1.00 0.00 C ATOM 1155 CE1 TYR A 73 1.033 9.101 -2.935 1.00 0.00 C ATOM 1156 CE2 TYR A 73 2.600 8.092 -1.438 1.00 0.00 C ATOM 1157 CZ TYR A 73 2.307 8.826 -2.545 1.00 0.00 C ATOM 1158 OH TYR A 73 3.334 9.306 -3.296 1.00 0.00 O ATOM 0 H TYR A 73 -0.964 9.971 -0.567 1.00 0.00 H new ATOM 0 HA TYR A 73 -2.743 8.045 0.850 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -0.549 6.608 0.573 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -1.619 6.734 -0.809 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -1.075 8.796 -2.427 1.00 0.00 H new ATOM 0 HD2 TYR A 73 1.718 6.998 0.241 1.00 0.00 H new ATOM 0 HE1 TYR A 73 0.841 9.688 -3.821 1.00 0.00 H new ATOM 0 HE2 TYR A 73 3.625 7.895 -1.162 1.00 0.00 H new ATOM 0 HH TYR A 73 3.650 8.605 -3.904 1.00 0.00 H new ATOM 1168 N SER A 74 -0.678 7.795 2.632 1.00 0.00 N ATOM 1169 CA SER A 74 0.034 8.037 3.875 1.00 0.00 C ATOM 1170 C SER A 74 0.670 6.739 4.375 1.00 0.00 C ATOM 1171 O SER A 74 0.279 5.650 3.956 1.00 0.00 O ATOM 1172 CB SER A 74 -0.900 8.615 4.941 1.00 0.00 C ATOM 1173 OG SER A 74 -0.211 9.468 5.850 1.00 0.00 O ATOM 0 H SER A 74 -0.893 6.815 2.447 1.00 0.00 H new ATOM 0 HA SER A 74 0.819 8.768 3.683 1.00 0.00 H new ATOM 0 HB2 SER A 74 -1.701 9.173 4.457 1.00 0.00 H new ATOM 0 HB3 SER A 74 -1.368 7.800 5.493 1.00 0.00 H new ATOM 0 HG SER A 74 -0.842 9.818 6.513 1.00 0.00 H new ATOM 1179 N ILE A 75 1.639 6.897 5.264 1.00 0.00 N ATOM 1180 CA ILE A 75 2.335 5.750 5.825 1.00 0.00 C ATOM 1181 C ILE A 75 1.749 5.429 7.202 1.00 0.00 C ATOM 1182 O ILE A 75 1.799 6.258 8.110 1.00 0.00 O ATOM 1183 CB ILE A 75 3.845 5.992 5.840 1.00 0.00 C ATOM 1184 CG1 ILE A 75 4.347 6.403 4.454 1.00 0.00 C ATOM 1185 CG2 ILE A 75 4.591 4.772 6.382 1.00 0.00 C ATOM 1186 CD1 ILE A 75 4.057 7.880 4.180 1.00 0.00 C ATOM 0 H ILE A 75 1.959 7.801 5.610 1.00 0.00 H new ATOM 0 HA ILE A 75 2.185 4.870 5.200 1.00 0.00 H new ATOM 0 HB ILE A 75 4.052 6.821 6.517 1.00 0.00 H new ATOM 0 HG12 ILE A 75 5.419 6.220 4.383 1.00 0.00 H new ATOM 0 HG13 ILE A 75 3.868 5.788 3.693 1.00 0.00 H new ATOM 0 HG21 ILE A 75 5.663 4.971 6.382 1.00 0.00 H new ATOM 0 HG22 ILE A 75 4.260 4.566 7.400 1.00 0.00 H new ATOM 0 HG23 ILE A 75 4.382 3.908 5.751 1.00 0.00 H new ATOM 0 HD11 ILE A 75 4.424 8.145 3.189 1.00 0.00 H new ATOM 0 HD12 ILE A 75 2.982 8.055 4.228 1.00 0.00 H new ATOM 0 HD13 ILE A 75 4.558 8.494 4.928 1.00 0.00 H new ATOM 1198 N MET A 76 1.209 4.224 7.314 1.00 0.00 N ATOM 1199 CA MET A 76 0.616 3.784 8.565 1.00 0.00 C ATOM 1200 C MET A 76 1.669 3.156 9.480 1.00 0.00 C ATOM 1201 O MET A 76 2.008 3.719 10.520 1.00 0.00 O ATOM 1202 CB MET A 76 -0.485 2.761 8.276 1.00 0.00 C ATOM 1203 CG MET A 76 -1.579 2.818 9.344 1.00 0.00 C ATOM 1204 SD MET A 76 -1.076 1.891 10.783 1.00 0.00 S ATOM 1205 CE MET A 76 -1.994 2.758 12.045 1.00 0.00 C ATOM 0 H MET A 76 1.170 3.539 6.559 1.00 0.00 H new ATOM 0 HA MET A 76 0.194 4.652 9.071 1.00 0.00 H new ATOM 0 HB2 MET A 76 -0.919 2.955 7.295 1.00 0.00 H new ATOM 0 HB3 MET A 76 -0.056 1.759 8.242 1.00 0.00 H new ATOM 0 HG2 MET A 76 -1.776 3.854 9.619 1.00 0.00 H new ATOM 0 HG3 MET A 76 -2.509 2.411 8.946 1.00 0.00 H new ATOM 0 HE1 MET A 76 -1.794 2.305 13.016 1.00 0.00 H new ATOM 0 HE2 MET A 76 -1.689 3.804 12.063 1.00 0.00 H new ATOM 0 HE3 MET A 76 -3.060 2.695 11.828 1.00 0.00 H new ATOM 1215 N ILE A 77 2.157 1.997 9.060 1.00 0.00 N ATOM 1216 CA ILE A 77 3.165 1.287 9.829 1.00 0.00 C ATOM 1217 C ILE A 77 4.430 1.133 8.983 1.00 0.00 C ATOM 1218 O ILE A 77 4.375 1.208 7.757 1.00 0.00 O ATOM 1219 CB ILE A 77 2.606 -0.040 10.347 1.00 0.00 C ATOM 1220 CG1 ILE A 77 3.638 -0.771 11.207 1.00 0.00 C ATOM 1221 CG2 ILE A 77 2.101 -0.910 9.194 1.00 0.00 C ATOM 1222 CD1 ILE A 77 3.983 0.041 12.458 1.00 0.00 C ATOM 0 H ILE A 77 1.873 1.533 8.197 1.00 0.00 H new ATOM 0 HA ILE A 77 3.441 1.858 10.715 1.00 0.00 H new ATOM 0 HB ILE A 77 1.750 0.176 10.986 1.00 0.00 H new ATOM 0 HG12 ILE A 77 3.249 -1.747 11.498 1.00 0.00 H new ATOM 0 HG13 ILE A 77 4.542 -0.949 10.624 1.00 0.00 H new ATOM 0 HG21 ILE A 77 1.709 -1.847 9.590 1.00 0.00 H new ATOM 0 HG22 ILE A 77 1.311 -0.383 8.660 1.00 0.00 H new ATOM 0 HG23 ILE A 77 2.923 -1.121 8.510 1.00 0.00 H new ATOM 0 HD11 ILE A 77 4.719 -0.501 13.052 1.00 0.00 H new ATOM 0 HD12 ILE A 77 4.395 1.006 12.163 1.00 0.00 H new ATOM 0 HD13 ILE A 77 3.082 0.197 13.051 1.00 0.00 H new ATOM 1234 N GLU A 78 5.542 0.921 9.672 1.00 0.00 N ATOM 1235 CA GLU A 78 6.819 0.756 9.001 1.00 0.00 C ATOM 1236 C GLU A 78 7.630 -0.357 9.668 1.00 0.00 C ATOM 1237 O GLU A 78 7.068 -1.356 10.114 1.00 0.00 O ATOM 1238 CB GLU A 78 7.603 2.070 8.982 1.00 0.00 C ATOM 1239 CG GLU A 78 8.506 2.152 7.751 1.00 0.00 C ATOM 1240 CD GLU A 78 9.827 2.851 8.085 1.00 0.00 C ATOM 1241 OE1 GLU A 78 9.753 3.947 8.681 1.00 0.00 O ATOM 1242 OE2 GLU A 78 10.878 2.273 7.736 1.00 0.00 O ATOM 0 H GLU A 78 5.584 0.860 10.689 1.00 0.00 H new ATOM 0 HA GLU A 78 6.629 0.470 7.967 1.00 0.00 H new ATOM 0 HB2 GLU A 78 6.910 2.911 8.986 1.00 0.00 H new ATOM 0 HB3 GLU A 78 8.207 2.151 9.886 1.00 0.00 H new ATOM 0 HG2 GLU A 78 8.706 1.149 7.375 1.00 0.00 H new ATOM 0 HG3 GLU A 78 7.994 2.694 6.956 1.00 0.00 H new