USER MOD reduce.3.24.130724 H: found=0, std=0, add=405, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 407 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 57 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 58 ASN : amide:sc= -0.272 K(o=-0.27,f=-2.9!) USER MOD Set 2.1: A 20 THR OG1 : rot 81:sc= 0.0865 USER MOD Set 2.2: A 21 ASN : amide:sc= -0.789 X(o=-0.7,f=-1.1) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 ASN : amide:sc= -0.586 X(o=-0.59,f=-0.1) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 GLN :FLIP amide:sc=-0.00327 F(o=-0.98,f=-0.0033) USER MOD Single : A 26 SER OG : rot 47:sc= 1.01 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ -166:sc= -0.0326 (180deg=-0.24) USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=-0.0026) USER MOD Single : A 36 THR OG1 : rot -39:sc= 0.326 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -0.302 X(o=-0.3,f=-0.011) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 116 N LEU A 9 -11.692 -4.741 -0.940 1.00 0.00 N ATOM 117 CA LEU A 9 -11.411 -3.399 -0.440 1.00 0.00 C ATOM 118 C LEU A 9 -10.493 -2.650 -1.400 1.00 0.00 C ATOM 119 O LEU A 9 -9.426 -3.144 -1.767 1.00 0.00 O ATOM 120 CB LEU A 9 -10.768 -3.483 0.951 1.00 0.00 C ATOM 121 CG LEU A 9 -10.660 -2.159 1.717 1.00 0.00 C ATOM 122 CD1 LEU A 9 -10.503 -2.420 3.207 1.00 0.00 C ATOM 123 CD2 LEU A 9 -9.491 -1.331 1.203 1.00 0.00 C ATOM 0 HA LEU A 9 -12.350 -2.851 -0.365 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -11.344 -4.185 1.555 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -9.767 -3.901 0.843 1.00 0.00 H new ATOM 0 HG LEU A 9 -11.579 -1.596 1.554 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -10.428 -1.470 3.737 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -11.369 -2.972 3.573 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -9.600 -3.005 3.381 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -9.434 -0.396 1.761 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -8.564 -1.889 1.334 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -9.637 -1.114 0.145 1.00 0.00 H new ATOM 135 N VAL A 10 -10.916 -1.457 -1.806 1.00 0.00 N ATOM 136 CA VAL A 10 -10.128 -0.639 -2.719 1.00 0.00 C ATOM 137 C VAL A 10 -9.462 0.513 -1.974 1.00 0.00 C ATOM 138 O VAL A 10 -10.050 1.096 -1.061 1.00 0.00 O ATOM 139 CB VAL A 10 -10.993 -0.068 -3.860 1.00 0.00 C ATOM 140 CG1 VAL A 10 -10.127 0.678 -4.863 1.00 0.00 C ATOM 141 CG2 VAL A 10 -11.780 -1.177 -4.542 1.00 0.00 C ATOM 0 H VAL A 10 -11.799 -1.036 -1.517 1.00 0.00 H new ATOM 0 HA VAL A 10 -9.364 -1.287 -3.149 1.00 0.00 H new ATOM 0 HB VAL A 10 -11.705 0.639 -3.433 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -10.754 1.074 -5.661 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -9.615 1.500 -4.362 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -9.390 -0.005 -5.286 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -12.384 -0.754 -5.344 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -11.089 -1.911 -4.957 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -12.431 -1.662 -3.814 1.00 0.00 H new ATOM 151 N VAL A 11 -8.234 0.834 -2.364 1.00 0.00 N ATOM 152 CA VAL A 11 -7.489 1.915 -1.729 1.00 0.00 C ATOM 153 C VAL A 11 -6.910 2.869 -2.773 1.00 0.00 C ATOM 154 O VAL A 11 -6.684 2.483 -3.921 1.00 0.00 O ATOM 155 CB VAL A 11 -6.345 1.363 -0.852 1.00 0.00 C ATOM 156 CG1 VAL A 11 -5.214 0.816 -1.712 1.00 0.00 C ATOM 157 CG2 VAL A 11 -5.833 2.434 0.098 1.00 0.00 C ATOM 0 H VAL A 11 -7.733 0.362 -3.117 1.00 0.00 H new ATOM 0 HA VAL A 11 -8.189 2.460 -1.096 1.00 0.00 H new ATOM 0 HB VAL A 11 -6.741 0.540 -0.257 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -4.421 0.433 -1.070 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -5.592 0.010 -2.341 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -4.818 1.612 -2.342 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -5.027 2.025 0.707 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -5.459 3.281 -0.477 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -6.645 2.765 0.745 1.00 0.00 H new ATOM 167 N ARG A 12 -6.676 4.113 -2.368 1.00 0.00 N ATOM 168 CA ARG A 12 -6.120 5.117 -3.267 1.00 0.00 C ATOM 169 C ARG A 12 -4.961 5.852 -2.605 1.00 0.00 C ATOM 170 O ARG A 12 -5.131 6.503 -1.573 1.00 0.00 O ATOM 171 CB ARG A 12 -7.197 6.117 -3.689 1.00 0.00 C ATOM 172 CG ARG A 12 -6.708 7.140 -4.700 1.00 0.00 C ATOM 173 CD ARG A 12 -7.763 8.195 -4.990 1.00 0.00 C ATOM 174 NE ARG A 12 -7.239 9.273 -5.825 1.00 0.00 N ATOM 175 CZ ARG A 12 -7.941 10.348 -6.172 1.00 0.00 C ATOM 176 NH1 ARG A 12 -9.196 10.483 -5.765 1.00 0.00 N ATOM 177 NH2 ARG A 12 -7.388 11.287 -6.926 1.00 0.00 N ATOM 0 H ARG A 12 -6.863 4.450 -1.423 1.00 0.00 H new ATOM 0 HA ARG A 12 -5.748 4.605 -4.154 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -8.041 5.573 -4.113 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -7.565 6.638 -2.805 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -5.806 7.622 -4.323 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -6.435 6.634 -5.626 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -8.614 7.730 -5.488 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -8.131 8.609 -4.051 1.00 0.00 H new ATOM 0 HE ARG A 12 -6.279 9.197 -6.161 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -9.624 9.762 -5.185 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -9.733 11.308 -6.032 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -6.423 11.186 -7.241 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -7.927 12.111 -7.192 1.00 0.00 H new ATOM 191 N ALA A 13 -3.783 5.741 -3.206 1.00 0.00 N ATOM 192 CA ALA A 13 -2.587 6.388 -2.683 1.00 0.00 C ATOM 193 C ALA A 13 -2.745 7.904 -2.640 1.00 0.00 C ATOM 194 O ALA A 13 -3.345 8.501 -3.533 1.00 0.00 O ATOM 195 CB ALA A 13 -1.382 6.009 -3.526 1.00 0.00 C ATOM 0 H ALA A 13 -3.630 5.206 -4.061 1.00 0.00 H new ATOM 0 HA ALA A 13 -2.436 6.041 -1.661 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.492 6.497 -3.129 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -1.245 4.928 -3.500 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -1.543 6.330 -4.555 1.00 0.00 H new ATOM 201 N LYS A 14 -2.203 8.520 -1.594 1.00 0.00 N ATOM 202 CA LYS A 14 -2.277 9.967 -1.436 1.00 0.00 C ATOM 203 C LYS A 14 -0.984 10.631 -1.903 1.00 0.00 C ATOM 204 O LYS A 14 -1.007 11.551 -2.719 1.00 0.00 O ATOM 205 CB LYS A 14 -2.556 10.330 0.024 1.00 0.00 C ATOM 206 CG LYS A 14 -3.822 9.694 0.575 1.00 0.00 C ATOM 207 CD LYS A 14 -4.171 10.232 1.955 1.00 0.00 C ATOM 208 CE LYS A 14 -3.103 9.885 2.983 1.00 0.00 C ATOM 209 NZ LYS A 14 -3.495 10.308 4.355 1.00 0.00 N ATOM 0 H LYS A 14 -1.708 8.039 -0.843 1.00 0.00 H new ATOM 0 HA LYS A 14 -3.096 10.334 -2.054 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -1.708 10.021 0.635 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -2.635 11.414 0.112 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -4.650 9.882 -0.108 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -3.692 8.613 0.629 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -4.289 11.314 1.904 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -5.129 9.822 2.274 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -2.924 8.810 2.972 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -2.165 10.367 2.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -2.741 10.054 5.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -3.641 11.338 4.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -4.377 9.829 4.627 1.00 0.00 H new ATOM 223 N PHE A 15 0.141 10.156 -1.376 1.00 0.00 N ATOM 224 CA PHE A 15 1.446 10.704 -1.734 1.00 0.00 C ATOM 225 C PHE A 15 2.152 9.810 -2.749 1.00 0.00 C ATOM 226 O PHE A 15 1.760 8.662 -2.959 1.00 0.00 O ATOM 227 CB PHE A 15 2.322 10.857 -0.490 1.00 0.00 C ATOM 228 CG PHE A 15 1.642 11.563 0.648 1.00 0.00 C ATOM 229 CD1 PHE A 15 1.140 12.845 0.487 1.00 0.00 C ATOM 230 CD2 PHE A 15 1.504 10.944 1.881 1.00 0.00 C ATOM 231 CE1 PHE A 15 0.514 13.494 1.533 1.00 0.00 C ATOM 232 CE2 PHE A 15 0.880 11.589 2.930 1.00 0.00 C ATOM 233 CZ PHE A 15 0.383 12.867 2.756 1.00 0.00 C ATOM 0 H PHE A 15 0.175 9.393 -0.700 1.00 0.00 H new ATOM 0 HA PHE A 15 1.285 11.685 -2.182 1.00 0.00 H new ATOM 0 HB2 PHE A 15 2.637 9.869 -0.155 1.00 0.00 H new ATOM 0 HB3 PHE A 15 3.225 11.406 -0.758 1.00 0.00 H new ATOM 0 HD1 PHE A 15 1.240 13.342 -0.467 1.00 0.00 H new ATOM 0 HD2 PHE A 15 1.889 9.945 2.022 1.00 0.00 H new ATOM 0 HE1 PHE A 15 0.127 14.493 1.394 1.00 0.00 H new ATOM 0 HE2 PHE A 15 0.780 11.096 3.886 1.00 0.00 H new ATOM 0 HZ PHE A 15 -0.106 13.374 3.575 1.00 0.00 H new ATOM 243 N ASN A 16 3.197 10.345 -3.372 1.00 0.00 N ATOM 244 CA ASN A 16 3.966 9.597 -4.359 1.00 0.00 C ATOM 245 C ASN A 16 4.879 8.583 -3.676 1.00 0.00 C ATOM 246 O ASN A 16 5.228 8.740 -2.506 1.00 0.00 O ATOM 247 CB ASN A 16 4.796 10.551 -5.219 1.00 0.00 C ATOM 248 CG ASN A 16 5.704 11.437 -4.389 1.00 0.00 C ATOM 249 OD1 ASN A 16 6.844 11.076 -4.097 1.00 0.00 O ATOM 250 ND2 ASN A 16 5.201 12.605 -4.006 1.00 0.00 N ATOM 0 H ASN A 16 3.531 11.295 -3.210 1.00 0.00 H new ATOM 0 HA ASN A 16 3.267 9.059 -4.999 1.00 0.00 H new ATOM 0 HB2 ASN A 16 5.399 9.973 -5.920 1.00 0.00 H new ATOM 0 HB3 ASN A 16 4.128 11.175 -5.813 1.00 0.00 H new ATOM 0 HD21 ASN A 16 5.765 13.244 -3.446 1.00 0.00 H new ATOM 0 HD22 ASN A 16 4.250 12.863 -4.272 1.00 0.00 H new ATOM 257 N PHE A 17 5.260 7.543 -4.412 1.00 0.00 N ATOM 258 CA PHE A 17 6.130 6.504 -3.871 1.00 0.00 C ATOM 259 C PHE A 17 7.047 5.943 -4.953 1.00 0.00 C ATOM 260 O PHE A 17 6.619 5.707 -6.083 1.00 0.00 O ATOM 261 CB PHE A 17 5.288 5.379 -3.266 1.00 0.00 C ATOM 262 CG PHE A 17 6.068 4.432 -2.397 1.00 0.00 C ATOM 263 CD1 PHE A 17 6.795 3.393 -2.958 1.00 0.00 C ATOM 264 CD2 PHE A 17 6.071 4.580 -1.019 1.00 0.00 C ATOM 265 CE1 PHE A 17 7.509 2.519 -2.159 1.00 0.00 C ATOM 266 CE2 PHE A 17 6.782 3.709 -0.217 1.00 0.00 C ATOM 267 CZ PHE A 17 7.502 2.678 -0.787 1.00 0.00 C ATOM 0 H PHE A 17 4.981 7.398 -5.382 1.00 0.00 H new ATOM 0 HA PHE A 17 6.750 6.949 -3.093 1.00 0.00 H new ATOM 0 HB2 PHE A 17 4.483 5.818 -2.676 1.00 0.00 H new ATOM 0 HB3 PHE A 17 4.821 4.814 -4.073 1.00 0.00 H new ATOM 0 HD1 PHE A 17 6.804 3.265 -4.030 1.00 0.00 H new ATOM 0 HD2 PHE A 17 5.511 5.385 -0.567 1.00 0.00 H new ATOM 0 HE1 PHE A 17 8.071 1.713 -2.607 1.00 0.00 H new ATOM 0 HE2 PHE A 17 6.775 3.834 0.856 1.00 0.00 H new ATOM 0 HZ PHE A 17 8.059 1.997 -0.161 1.00 0.00 H new ATOM 277 N GLN A 18 8.310 5.732 -4.599 1.00 0.00 N ATOM 278 CA GLN A 18 9.290 5.191 -5.535 1.00 0.00 C ATOM 279 C GLN A 18 9.728 3.794 -5.107 1.00 0.00 C ATOM 280 O GLN A 18 9.964 3.544 -3.925 1.00 0.00 O ATOM 281 CB GLN A 18 10.507 6.112 -5.628 1.00 0.00 C ATOM 282 CG GLN A 18 11.199 6.339 -4.294 1.00 0.00 C ATOM 283 CD GLN A 18 12.420 7.228 -4.416 1.00 0.00 C ATOM 284 OE1 GLN A 18 12.330 8.449 -4.287 1.00 0.00 O ATOM 285 NE2 GLN A 18 13.573 6.619 -4.667 1.00 0.00 N ATOM 0 H GLN A 18 8.680 5.928 -3.669 1.00 0.00 H new ATOM 0 HA GLN A 18 8.821 5.126 -6.517 1.00 0.00 H new ATOM 0 HB2 GLN A 18 11.222 5.686 -6.331 1.00 0.00 H new ATOM 0 HB3 GLN A 18 10.195 7.074 -6.035 1.00 0.00 H new ATOM 0 HG2 GLN A 18 10.494 6.790 -3.595 1.00 0.00 H new ATOM 0 HG3 GLN A 18 11.494 5.378 -3.874 1.00 0.00 H new ATOM 0 HE21 GLN A 18 13.603 5.604 -4.767 1.00 0.00 H new ATOM 0 HE22 GLN A 18 14.429 7.166 -4.760 1.00 0.00 H new ATOM 294 N GLN A 19 9.834 2.889 -6.074 1.00 0.00 N ATOM 295 CA GLN A 19 10.243 1.519 -5.793 1.00 0.00 C ATOM 296 C GLN A 19 11.694 1.288 -6.205 1.00 0.00 C ATOM 297 O GLN A 19 12.320 2.153 -6.818 1.00 0.00 O ATOM 298 CB GLN A 19 9.328 0.532 -6.521 1.00 0.00 C ATOM 299 CG GLN A 19 9.467 0.575 -8.034 1.00 0.00 C ATOM 300 CD GLN A 19 8.435 -0.283 -8.743 1.00 0.00 C ATOM 301 OE1 GLN A 19 8.013 -1.365 -8.097 1.00 0.00 O flip ATOM 302 NE2 GLN A 19 8.023 0.022 -9.862 1.00 0.00 N flip ATOM 0 H GLN A 19 9.643 3.080 -7.058 1.00 0.00 H new ATOM 0 HA GLN A 19 10.160 1.354 -4.719 1.00 0.00 H new ATOM 0 HB2 GLN A 19 9.547 -0.478 -6.173 1.00 0.00 H new ATOM 0 HB3 GLN A 19 8.293 0.744 -6.254 1.00 0.00 H new ATOM 0 HG2 GLN A 19 9.371 1.606 -8.374 1.00 0.00 H new ATOM 0 HG3 GLN A 19 10.466 0.239 -8.312 1.00 0.00 H new ATOM 0 HE21 GLN A 19 8.373 0.862 -10.323 1.00 0.00 H new ATOM 0 HE22 GLN A 19 7.331 -0.565 -10.328 1.00 0.00 H new ATOM 311 N THR A 20 12.220 0.115 -5.865 1.00 0.00 N ATOM 312 CA THR A 20 13.597 -0.233 -6.198 1.00 0.00 C ATOM 313 C THR A 20 13.644 -1.389 -7.190 1.00 0.00 C ATOM 314 O THR A 20 14.584 -1.511 -7.975 1.00 0.00 O ATOM 315 CB THR A 20 14.398 -0.616 -4.939 1.00 0.00 C ATOM 316 OG1 THR A 20 13.842 -1.795 -4.345 1.00 0.00 O ATOM 317 CG2 THR A 20 14.391 0.520 -3.927 1.00 0.00 C ATOM 0 H THR A 20 11.713 -0.611 -5.359 1.00 0.00 H new ATOM 0 HA THR A 20 14.048 0.650 -6.651 1.00 0.00 H new ATOM 0 HB THR A 20 15.429 -0.811 -5.236 1.00 0.00 H new ATOM 0 HG1 THR A 20 14.162 -2.586 -4.827 1.00 0.00 H new ATOM 0 HG21 THR A 20 14.963 0.226 -3.047 1.00 0.00 H new ATOM 0 HG22 THR A 20 14.841 1.407 -4.373 1.00 0.00 H new ATOM 0 HG23 THR A 20 13.364 0.741 -3.636 1.00 0.00 H new ATOM 325 N ASN A 21 12.619 -2.237 -7.147 1.00 0.00 N ATOM 326 CA ASN A 21 12.530 -3.387 -8.041 1.00 0.00 C ATOM 327 C ASN A 21 11.073 -3.764 -8.288 1.00 0.00 C ATOM 328 O ASN A 21 10.160 -3.107 -7.787 1.00 0.00 O ATOM 329 CB ASN A 21 13.282 -4.585 -7.451 1.00 0.00 C ATOM 330 CG ASN A 21 14.774 -4.339 -7.339 1.00 0.00 C ATOM 331 OD1 ASN A 21 15.257 -3.834 -6.326 1.00 0.00 O ATOM 332 ND2 ASN A 21 15.513 -4.699 -8.382 1.00 0.00 N ATOM 0 H ASN A 21 11.836 -2.148 -6.500 1.00 0.00 H new ATOM 0 HA ASN A 21 12.989 -3.113 -8.991 1.00 0.00 H new ATOM 0 HB2 ASN A 21 12.880 -4.811 -6.464 1.00 0.00 H new ATOM 0 HB3 ASN A 21 13.108 -5.462 -8.075 1.00 0.00 H new ATOM 0 HD21 ASN A 21 16.523 -4.560 -8.363 1.00 0.00 H new ATOM 0 HD22 ASN A 21 15.070 -5.114 -9.202 1.00 0.00 H new ATOM 339 N GLU A 22 10.862 -4.824 -9.063 1.00 0.00 N ATOM 340 CA GLU A 22 9.514 -5.288 -9.369 1.00 0.00 C ATOM 341 C GLU A 22 8.880 -5.953 -8.151 1.00 0.00 C ATOM 342 O GLU A 22 7.697 -6.294 -8.163 1.00 0.00 O ATOM 343 CB GLU A 22 9.537 -6.266 -10.547 1.00 0.00 C ATOM 344 CG GLU A 22 9.879 -5.613 -11.877 1.00 0.00 C ATOM 345 CD GLU A 22 11.298 -5.083 -11.922 1.00 0.00 C ATOM 346 OE1 GLU A 22 12.211 -5.861 -12.268 1.00 0.00 O ATOM 347 OE2 GLU A 22 11.497 -3.890 -11.610 1.00 0.00 O ATOM 0 H GLU A 22 11.606 -5.376 -9.489 1.00 0.00 H new ATOM 0 HA GLU A 22 8.913 -4.421 -9.643 1.00 0.00 H new ATOM 0 HB2 GLU A 22 10.263 -7.052 -10.341 1.00 0.00 H new ATOM 0 HB3 GLU A 22 8.562 -6.746 -10.628 1.00 0.00 H new ATOM 0 HG2 GLU A 22 9.741 -6.338 -12.679 1.00 0.00 H new ATOM 0 HG3 GLU A 22 9.184 -4.795 -12.064 1.00 0.00 H new ATOM 354 N ASP A 23 9.677 -6.137 -7.102 1.00 0.00 N ATOM 355 CA ASP A 23 9.195 -6.758 -5.873 1.00 0.00 C ATOM 356 C ASP A 23 8.275 -5.804 -5.118 1.00 0.00 C ATOM 357 O ASP A 23 7.351 -6.232 -4.425 1.00 0.00 O ATOM 358 CB ASP A 23 10.371 -7.164 -4.982 1.00 0.00 C ATOM 359 CG ASP A 23 11.370 -8.045 -5.708 1.00 0.00 C ATOM 360 OD1 ASP A 23 11.144 -9.271 -5.770 1.00 0.00 O ATOM 361 OD2 ASP A 23 12.378 -7.507 -6.212 1.00 0.00 O ATOM 0 H ASP A 23 10.660 -5.865 -7.079 1.00 0.00 H new ATOM 0 HA ASP A 23 8.631 -7.652 -6.140 1.00 0.00 H new ATOM 0 HB2 ASP A 23 10.876 -6.268 -4.621 1.00 0.00 H new ATOM 0 HB3 ASP A 23 9.994 -7.692 -4.106 1.00 0.00 H new ATOM 366 N GLU A 24 8.535 -4.510 -5.262 1.00 0.00 N ATOM 367 CA GLU A 24 7.733 -3.487 -4.605 1.00 0.00 C ATOM 368 C GLU A 24 6.676 -2.956 -5.568 1.00 0.00 C ATOM 369 O GLU A 24 6.353 -3.608 -6.562 1.00 0.00 O ATOM 370 CB GLU A 24 8.630 -2.343 -4.124 1.00 0.00 C ATOM 371 CG GLU A 24 8.118 -1.642 -2.876 1.00 0.00 C ATOM 372 CD GLU A 24 8.157 -2.535 -1.651 1.00 0.00 C ATOM 373 OE1 GLU A 24 9.212 -2.580 -0.985 1.00 0.00 O ATOM 374 OE2 GLU A 24 7.135 -3.189 -1.359 1.00 0.00 O ATOM 0 H GLU A 24 9.299 -4.144 -5.831 1.00 0.00 H new ATOM 0 HA GLU A 24 7.235 -3.928 -3.742 1.00 0.00 H new ATOM 0 HB2 GLU A 24 9.627 -2.735 -3.925 1.00 0.00 H new ATOM 0 HB3 GLU A 24 8.729 -1.611 -4.925 1.00 0.00 H new ATOM 0 HG2 GLU A 24 8.718 -0.751 -2.691 1.00 0.00 H new ATOM 0 HG3 GLU A 24 7.095 -1.307 -3.045 1.00 0.00 H new ATOM 381 N LEU A 25 6.138 -1.777 -5.278 1.00 0.00 N ATOM 382 CA LEU A 25 5.125 -1.180 -6.136 1.00 0.00 C ATOM 383 C LEU A 25 5.206 0.342 -6.093 1.00 0.00 C ATOM 384 O LEU A 25 4.965 0.959 -5.054 1.00 0.00 O ATOM 385 CB LEU A 25 3.729 -1.648 -5.708 1.00 0.00 C ATOM 386 CG LEU A 25 2.677 -1.684 -6.822 1.00 0.00 C ATOM 387 CD1 LEU A 25 1.434 -2.429 -6.357 1.00 0.00 C ATOM 388 CD2 LEU A 25 2.313 -0.276 -7.266 1.00 0.00 C ATOM 0 H LEU A 25 6.385 -1.220 -4.460 1.00 0.00 H new ATOM 0 HA LEU A 25 5.309 -1.503 -7.161 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.815 -2.647 -5.280 1.00 0.00 H new ATOM 0 HB3 LEU A 25 3.371 -0.991 -4.915 1.00 0.00 H new ATOM 0 HG LEU A 25 3.103 -2.214 -7.674 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.698 -2.445 -7.160 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.701 -3.451 -6.089 1.00 0.00 H new ATOM 0 HD13 LEU A 25 1.012 -1.925 -5.488 1.00 0.00 H new ATOM 0 HD21 LEU A 25 1.565 -0.326 -8.057 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.909 0.280 -6.419 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.203 0.229 -7.640 1.00 0.00 H new ATOM 400 N SER A 26 5.554 0.940 -7.229 1.00 0.00 N ATOM 401 CA SER A 26 5.654 2.390 -7.332 1.00 0.00 C ATOM 402 C SER A 26 4.341 2.962 -7.841 1.00 0.00 C ATOM 403 O SER A 26 3.608 2.293 -8.568 1.00 0.00 O ATOM 404 CB SER A 26 6.796 2.790 -8.269 1.00 0.00 C ATOM 405 OG SER A 26 6.841 4.195 -8.446 1.00 0.00 O ATOM 0 H SER A 26 5.771 0.441 -8.091 1.00 0.00 H new ATOM 0 HA SER A 26 5.864 2.794 -6.342 1.00 0.00 H new ATOM 0 HB2 SER A 26 7.745 2.441 -7.861 1.00 0.00 H new ATOM 0 HB3 SER A 26 6.666 2.302 -9.235 1.00 0.00 H new ATOM 0 HG SER A 26 6.771 4.637 -7.574 1.00 0.00 H new ATOM 411 N PHE A 27 4.040 4.197 -7.461 1.00 0.00 N ATOM 412 CA PHE A 27 2.798 4.822 -7.887 1.00 0.00 C ATOM 413 C PHE A 27 2.797 6.326 -7.642 1.00 0.00 C ATOM 414 O PHE A 27 3.696 6.869 -7.000 1.00 0.00 O ATOM 415 CB PHE A 27 1.622 4.176 -7.156 1.00 0.00 C ATOM 416 CG PHE A 27 1.818 4.078 -5.667 1.00 0.00 C ATOM 417 CD1 PHE A 27 1.680 5.194 -4.859 1.00 0.00 C ATOM 418 CD2 PHE A 27 2.139 2.865 -5.076 1.00 0.00 C ATOM 419 CE1 PHE A 27 1.858 5.104 -3.491 1.00 0.00 C ATOM 420 CE2 PHE A 27 2.318 2.769 -3.709 1.00 0.00 C ATOM 421 CZ PHE A 27 2.178 3.891 -2.916 1.00 0.00 C ATOM 0 H PHE A 27 4.631 4.778 -6.866 1.00 0.00 H new ATOM 0 HA PHE A 27 2.701 4.667 -8.962 1.00 0.00 H new ATOM 0 HB2 PHE A 27 0.719 4.752 -7.358 1.00 0.00 H new ATOM 0 HB3 PHE A 27 1.459 3.176 -7.559 1.00 0.00 H new ATOM 0 HD1 PHE A 27 1.430 6.146 -5.303 1.00 0.00 H new ATOM 0 HD2 PHE A 27 2.250 1.985 -5.692 1.00 0.00 H new ATOM 0 HE1 PHE A 27 1.747 5.982 -2.873 1.00 0.00 H new ATOM 0 HE2 PHE A 27 2.567 1.818 -3.262 1.00 0.00 H new ATOM 0 HZ PHE A 27 2.319 3.819 -1.848 1.00 0.00 H new ATOM 431 N SER A 28 1.772 6.989 -8.169 1.00 0.00 N ATOM 432 CA SER A 28 1.618 8.429 -8.012 1.00 0.00 C ATOM 433 C SER A 28 0.197 8.761 -7.569 1.00 0.00 C ATOM 434 O SER A 28 -0.742 8.036 -7.892 1.00 0.00 O ATOM 435 CB SER A 28 1.941 9.147 -9.322 1.00 0.00 C ATOM 436 OG SER A 28 3.266 8.870 -9.742 1.00 0.00 O ATOM 0 H SER A 28 1.031 6.546 -8.712 1.00 0.00 H new ATOM 0 HA SER A 28 2.315 8.771 -7.247 1.00 0.00 H new ATOM 0 HB2 SER A 28 1.238 8.834 -10.095 1.00 0.00 H new ATOM 0 HB3 SER A 28 1.814 10.222 -9.192 1.00 0.00 H new ATOM 0 HG SER A 28 3.447 9.339 -10.583 1.00 0.00 H new ATOM 442 N LYS A 29 0.054 9.858 -6.830 1.00 0.00 N ATOM 443 CA LYS A 29 -1.248 10.294 -6.325 1.00 0.00 C ATOM 444 C LYS A 29 -2.353 10.095 -7.363 1.00 0.00 C ATOM 445 O LYS A 29 -2.349 10.729 -8.418 1.00 0.00 O ATOM 446 CB LYS A 29 -1.183 11.763 -5.903 1.00 0.00 C ATOM 447 CG LYS A 29 -2.498 12.300 -5.362 1.00 0.00 C ATOM 448 CD LYS A 29 -2.380 13.764 -4.969 1.00 0.00 C ATOM 449 CE LYS A 29 -3.697 14.304 -4.436 1.00 0.00 C ATOM 450 NZ LYS A 29 -4.780 14.231 -5.456 1.00 0.00 N ATOM 0 H LYS A 29 0.829 10.466 -6.565 1.00 0.00 H new ATOM 0 HA LYS A 29 -1.491 9.678 -5.459 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -0.412 11.880 -5.142 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -0.879 12.365 -6.759 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -3.277 12.186 -6.116 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -2.804 11.713 -4.496 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -1.605 13.877 -4.211 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -2.068 14.350 -5.833 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -3.991 13.737 -3.553 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -3.564 15.339 -4.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -5.585 14.814 -5.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -4.423 14.584 -6.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -5.089 13.244 -5.565 1.00 0.00 H new ATOM 464 N GLY A 30 -3.297 9.210 -7.050 1.00 0.00 N ATOM 465 CA GLY A 30 -4.398 8.937 -7.957 1.00 0.00 C ATOM 466 C GLY A 30 -4.513 7.466 -8.312 1.00 0.00 C ATOM 467 O GLY A 30 -5.574 7.003 -8.732 1.00 0.00 O ATOM 0 H GLY A 30 -3.318 8.676 -6.181 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -5.330 9.271 -7.501 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -4.264 9.517 -8.870 1.00 0.00 H new ATOM 471 N ASP A 31 -3.418 6.732 -8.141 1.00 0.00 N ATOM 472 CA ASP A 31 -3.387 5.306 -8.452 1.00 0.00 C ATOM 473 C ASP A 31 -4.389 4.520 -7.610 1.00 0.00 C ATOM 474 O ASP A 31 -4.403 4.624 -6.383 1.00 0.00 O ATOM 475 CB ASP A 31 -1.982 4.748 -8.224 1.00 0.00 C ATOM 476 CG ASP A 31 -1.543 4.870 -6.781 1.00 0.00 C ATOM 477 OD1 ASP A 31 -1.854 3.960 -5.985 1.00 0.00 O ATOM 478 OD2 ASP A 31 -0.887 5.878 -6.447 1.00 0.00 O ATOM 0 H ASP A 31 -2.536 7.103 -7.787 1.00 0.00 H new ATOM 0 HA ASP A 31 -3.664 5.195 -9.500 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -1.957 3.700 -8.522 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -1.275 5.278 -8.863 1.00 0.00 H new ATOM 483 N VAL A 32 -5.229 3.738 -8.279 1.00 0.00 N ATOM 484 CA VAL A 32 -6.218 2.914 -7.596 1.00 0.00 C ATOM 485 C VAL A 32 -5.672 1.505 -7.385 1.00 0.00 C ATOM 486 O VAL A 32 -5.535 0.736 -8.337 1.00 0.00 O ATOM 487 CB VAL A 32 -7.538 2.836 -8.388 1.00 0.00 C ATOM 488 CG1 VAL A 32 -8.577 2.033 -7.619 1.00 0.00 C ATOM 489 CG2 VAL A 32 -8.057 4.233 -8.698 1.00 0.00 C ATOM 0 H VAL A 32 -5.244 3.658 -9.296 1.00 0.00 H new ATOM 0 HA VAL A 32 -6.424 3.380 -6.632 1.00 0.00 H new ATOM 0 HB VAL A 32 -7.344 2.326 -9.332 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -9.502 1.989 -8.194 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -8.205 1.022 -7.452 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -8.769 2.512 -6.659 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -8.989 4.159 -9.258 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -8.235 4.770 -7.766 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -7.319 4.772 -9.292 1.00 0.00 H new ATOM 499 N ILE A 33 -5.364 1.170 -6.138 1.00 0.00 N ATOM 500 CA ILE A 33 -4.812 -0.143 -5.817 1.00 0.00 C ATOM 501 C ILE A 33 -5.829 -1.027 -5.102 1.00 0.00 C ATOM 502 O ILE A 33 -6.596 -0.558 -4.263 1.00 0.00 O ATOM 503 CB ILE A 33 -3.552 -0.016 -4.939 1.00 0.00 C ATOM 504 CG1 ILE A 33 -2.515 0.875 -5.628 1.00 0.00 C ATOM 505 CG2 ILE A 33 -2.967 -1.391 -4.645 1.00 0.00 C ATOM 506 CD1 ILE A 33 -1.305 1.177 -4.769 1.00 0.00 C ATOM 0 H ILE A 33 -5.486 1.786 -5.334 1.00 0.00 H new ATOM 0 HA ILE A 33 -4.549 -0.609 -6.766 1.00 0.00 H new ATOM 0 HB ILE A 33 -3.831 0.446 -3.992 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -2.185 0.390 -6.547 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -2.989 1.814 -5.915 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -2.078 -1.283 -4.024 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -3.706 -1.996 -4.119 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -2.698 -1.880 -5.581 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -0.615 1.813 -5.324 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.622 1.691 -3.862 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -0.806 0.245 -4.503 1.00 0.00 H new ATOM 518 N HIS A 34 -5.826 -2.312 -5.444 1.00 0.00 N ATOM 519 CA HIS A 34 -6.738 -3.273 -4.835 1.00 0.00 C ATOM 520 C HIS A 34 -6.074 -3.965 -3.648 1.00 0.00 C ATOM 521 O HIS A 34 -5.123 -4.730 -3.816 1.00 0.00 O ATOM 522 CB HIS A 34 -7.178 -4.310 -5.870 1.00 0.00 C ATOM 523 CG HIS A 34 -7.805 -3.711 -7.091 1.00 0.00 C ATOM 524 ND1 HIS A 34 -7.149 -3.606 -8.300 1.00 0.00 N ATOM 525 CD2 HIS A 34 -9.039 -3.186 -7.290 1.00 0.00 C ATOM 526 CE1 HIS A 34 -7.951 -3.045 -9.188 1.00 0.00 C ATOM 527 NE2 HIS A 34 -9.103 -2.782 -8.600 1.00 0.00 N ATOM 0 H HIS A 34 -5.199 -2.712 -6.142 1.00 0.00 H new ATOM 0 HA HIS A 34 -7.616 -2.736 -4.476 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -6.313 -4.902 -6.169 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -7.888 -4.995 -5.406 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -9.825 -3.101 -6.555 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -7.706 -2.837 -10.219 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -9.911 -2.348 -9.047 1.00 0.00 H new ATOM 536 N VAL A 35 -6.579 -3.693 -2.447 1.00 0.00 N ATOM 537 CA VAL A 35 -6.025 -4.283 -1.232 1.00 0.00 C ATOM 538 C VAL A 35 -6.422 -5.748 -1.082 1.00 0.00 C ATOM 539 O VAL A 35 -7.606 -6.086 -1.086 1.00 0.00 O ATOM 540 CB VAL A 35 -6.479 -3.516 0.024 1.00 0.00 C ATOM 541 CG1 VAL A 35 -5.810 -4.081 1.269 1.00 0.00 C ATOM 542 CG2 VAL A 35 -6.183 -2.033 -0.122 1.00 0.00 C ATOM 0 H VAL A 35 -7.370 -3.068 -2.290 1.00 0.00 H new ATOM 0 HA VAL A 35 -4.941 -4.215 -1.327 1.00 0.00 H new ATOM 0 HB VAL A 35 -7.556 -3.640 0.133 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -6.144 -3.525 2.145 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -6.078 -5.131 1.381 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -4.728 -3.991 1.173 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -6.510 -1.507 0.775 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -5.111 -1.887 -0.257 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -6.715 -1.639 -0.988 1.00 0.00 H new ATOM 552 N THR A 36 -5.419 -6.610 -0.941 1.00 0.00 N ATOM 553 CA THR A 36 -5.649 -8.040 -0.778 1.00 0.00 C ATOM 554 C THR A 36 -5.162 -8.512 0.587 1.00 0.00 C ATOM 555 O THR A 36 -5.889 -9.182 1.321 1.00 0.00 O ATOM 556 CB THR A 36 -4.936 -8.856 -1.874 1.00 0.00 C ATOM 557 OG1 THR A 36 -3.521 -8.647 -1.800 1.00 0.00 O ATOM 558 CG2 THR A 36 -5.439 -8.464 -3.256 1.00 0.00 C ATOM 0 H THR A 36 -4.435 -6.340 -0.937 1.00 0.00 H new ATOM 0 HA THR A 36 -6.724 -8.202 -0.861 1.00 0.00 H new ATOM 0 HB THR A 36 -5.156 -9.911 -1.710 1.00 0.00 H new ATOM 0 HG1 THR A 36 -3.340 -7.707 -1.592 1.00 0.00 H new ATOM 0 HG21 THR A 36 -4.921 -9.053 -4.012 1.00 0.00 H new ATOM 0 HG22 THR A 36 -6.511 -8.653 -3.320 1.00 0.00 H new ATOM 0 HG23 THR A 36 -5.246 -7.405 -3.426 1.00 0.00 H new ATOM 566 N ARG A 37 -3.924 -8.155 0.918 1.00 0.00 N ATOM 567 CA ARG A 37 -3.329 -8.533 2.196 1.00 0.00 C ATOM 568 C ARG A 37 -3.586 -7.461 3.252 1.00 0.00 C ATOM 569 O ARG A 37 -3.009 -6.375 3.196 1.00 0.00 O ATOM 570 CB ARG A 37 -1.822 -8.755 2.033 1.00 0.00 C ATOM 571 CG ARG A 37 -1.122 -9.203 3.307 1.00 0.00 C ATOM 572 CD ARG A 37 -1.436 -10.653 3.646 1.00 0.00 C ATOM 573 NE ARG A 37 -2.820 -10.835 4.076 1.00 0.00 N ATOM 574 CZ ARG A 37 -3.370 -12.024 4.305 1.00 0.00 C ATOM 575 NH1 ARG A 37 -2.656 -13.131 4.148 1.00 0.00 N ATOM 576 NH2 ARG A 37 -4.635 -12.107 4.694 1.00 0.00 N ATOM 0 H ARG A 37 -3.312 -7.603 0.317 1.00 0.00 H new ATOM 0 HA ARG A 37 -3.793 -9.462 2.526 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -1.657 -9.503 1.258 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -1.364 -7.829 1.685 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -0.045 -9.082 3.191 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -1.428 -8.562 4.134 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -1.244 -11.277 2.774 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -0.765 -10.993 4.435 1.00 0.00 H new ATOM 0 HE ARG A 37 -3.397 -10.004 4.208 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -1.682 -13.072 3.851 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -3.081 -14.041 4.325 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -5.187 -11.258 4.818 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -5.056 -13.019 4.869 1.00 0.00 H new ATOM 590 N VAL A 38 -4.452 -7.772 4.213 1.00 0.00 N ATOM 591 CA VAL A 38 -4.779 -6.829 5.276 1.00 0.00 C ATOM 592 C VAL A 38 -4.285 -7.329 6.631 1.00 0.00 C ATOM 593 O VAL A 38 -4.890 -8.215 7.233 1.00 0.00 O ATOM 594 CB VAL A 38 -6.297 -6.576 5.364 1.00 0.00 C ATOM 595 CG1 VAL A 38 -6.592 -5.435 6.326 1.00 0.00 C ATOM 596 CG2 VAL A 38 -6.876 -6.287 3.987 1.00 0.00 C ATOM 0 H VAL A 38 -4.938 -8.667 4.277 1.00 0.00 H new ATOM 0 HA VAL A 38 -4.275 -5.895 5.027 1.00 0.00 H new ATOM 0 HB VAL A 38 -6.774 -7.478 5.747 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -7.668 -5.270 6.376 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -6.218 -5.689 7.318 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -6.102 -4.527 5.975 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -7.948 -6.112 4.073 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -6.396 -5.402 3.569 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -6.699 -7.140 3.332 1.00 0.00 H new ATOM 650 N TRP A 43 2.197 -3.137 6.703 1.00 0.00 N ATOM 651 CA TRP A 43 2.312 -3.077 5.249 1.00 0.00 C ATOM 652 C TRP A 43 1.168 -3.821 4.567 1.00 0.00 C ATOM 653 O TRP A 43 0.781 -4.910 4.990 1.00 0.00 O ATOM 654 CB TRP A 43 3.652 -3.661 4.801 1.00 0.00 C ATOM 655 CG TRP A 43 4.770 -2.669 4.832 1.00 0.00 C ATOM 656 CD1 TRP A 43 5.557 -2.344 5.901 1.00 0.00 C ATOM 657 CD2 TRP A 43 5.225 -1.869 3.739 1.00 0.00 C ATOM 658 NE1 TRP A 43 6.475 -1.389 5.537 1.00 0.00 N ATOM 659 CE2 TRP A 43 6.291 -1.080 4.213 1.00 0.00 C ATOM 660 CE3 TRP A 43 4.832 -1.743 2.404 1.00 0.00 C ATOM 661 CZ2 TRP A 43 6.972 -0.182 3.395 1.00 0.00 C ATOM 662 CZ3 TRP A 43 5.508 -0.851 1.594 1.00 0.00 C ATOM 663 CH2 TRP A 43 6.566 -0.079 2.092 1.00 0.00 C ATOM 0 HA TRP A 43 2.257 -2.029 4.954 1.00 0.00 H new ATOM 0 HB2 TRP A 43 3.906 -4.504 5.443 1.00 0.00 H new ATOM 0 HB3 TRP A 43 3.550 -4.051 3.788 1.00 0.00 H new ATOM 0 HD1 TRP A 43 5.470 -2.775 6.887 1.00 0.00 H new ATOM 0 HE1 TRP A 43 7.178 -0.977 6.151 1.00 0.00 H new ATOM 0 HE3 TRP A 43 4.015 -2.332 2.013 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 7.791 0.411 3.775 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 5.216 -0.747 0.559 1.00 0.00 H new ATOM 0 HH2 TRP A 43 7.072 0.612 1.434 1.00 0.00 H new ATOM 674 N TRP A 44 0.636 -3.222 3.506 1.00 0.00 N ATOM 675 CA TRP A 44 -0.460 -3.825 2.754 1.00 0.00 C ATOM 676 C TRP A 44 -0.019 -4.186 1.340 1.00 0.00 C ATOM 677 O TRP A 44 0.568 -3.366 0.635 1.00 0.00 O ATOM 678 CB TRP A 44 -1.657 -2.870 2.685 1.00 0.00 C ATOM 679 CG TRP A 44 -2.413 -2.739 3.976 1.00 0.00 C ATOM 680 CD1 TRP A 44 -2.130 -3.345 5.168 1.00 0.00 C ATOM 681 CD2 TRP A 44 -3.587 -1.948 4.197 1.00 0.00 C ATOM 682 NE1 TRP A 44 -3.055 -2.976 6.115 1.00 0.00 N ATOM 683 CE2 TRP A 44 -3.960 -2.120 5.543 1.00 0.00 C ATOM 684 CE3 TRP A 44 -4.360 -1.111 3.386 1.00 0.00 C ATOM 685 CZ2 TRP A 44 -5.069 -1.484 6.096 1.00 0.00 C ATOM 686 CZ3 TRP A 44 -5.460 -0.481 3.935 1.00 0.00 C ATOM 687 CH2 TRP A 44 -5.806 -0.671 5.278 1.00 0.00 C ATOM 0 H TRP A 44 0.946 -2.319 3.147 1.00 0.00 H new ATOM 0 HA TRP A 44 -0.755 -4.736 3.275 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -1.304 -1.884 2.381 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -2.340 -3.217 1.910 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -1.301 -4.015 5.340 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -3.066 -3.288 7.086 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -4.101 -0.960 2.348 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -5.337 -1.627 7.132 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -6.063 0.169 3.318 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -6.673 -0.165 5.677 1.00 0.00 H new ATOM 698 N GLU A 45 -0.307 -5.415 0.932 1.00 0.00 N ATOM 699 CA GLU A 45 0.047 -5.881 -0.403 1.00 0.00 C ATOM 700 C GLU A 45 -1.179 -5.896 -1.309 1.00 0.00 C ATOM 701 O GLU A 45 -2.270 -6.280 -0.885 1.00 0.00 O ATOM 702 CB GLU A 45 0.660 -7.283 -0.336 1.00 0.00 C ATOM 703 CG GLU A 45 1.135 -7.803 -1.684 1.00 0.00 C ATOM 704 CD GLU A 45 1.624 -9.237 -1.616 1.00 0.00 C ATOM 705 OE1 GLU A 45 0.798 -10.154 -1.802 1.00 0.00 O ATOM 706 OE2 GLU A 45 2.833 -9.442 -1.376 1.00 0.00 O ATOM 0 H GLU A 45 -0.785 -6.108 1.507 1.00 0.00 H new ATOM 0 HA GLU A 45 0.783 -5.192 -0.818 1.00 0.00 H new ATOM 0 HB2 GLU A 45 1.502 -7.270 0.356 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -0.078 -7.974 0.072 1.00 0.00 H new ATOM 0 HG2 GLU A 45 0.319 -7.735 -2.404 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.939 -7.166 -2.052 1.00 0.00 H new ATOM 713 N GLY A 46 -0.996 -5.473 -2.555 1.00 0.00 N ATOM 714 CA GLY A 46 -2.098 -5.445 -3.499 1.00 0.00 C ATOM 715 C GLY A 46 -1.641 -5.589 -4.936 1.00 0.00 C ATOM 716 O GLY A 46 -0.540 -6.070 -5.200 1.00 0.00 O ATOM 0 H GLY A 46 -0.104 -5.149 -2.928 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -2.795 -6.249 -3.261 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -2.643 -4.507 -3.388 1.00 0.00 H new ATOM 720 N THR A 47 -2.493 -5.172 -5.868 1.00 0.00 N ATOM 721 CA THR A 47 -2.175 -5.258 -7.289 1.00 0.00 C ATOM 722 C THR A 47 -2.474 -3.940 -8.001 1.00 0.00 C ATOM 723 O THR A 47 -3.368 -3.193 -7.601 1.00 0.00 O ATOM 724 CB THR A 47 -2.969 -6.390 -7.968 1.00 0.00 C ATOM 725 OG1 THR A 47 -2.752 -7.625 -7.276 1.00 0.00 O ATOM 726 CG2 THR A 47 -2.562 -6.545 -9.427 1.00 0.00 C ATOM 0 H THR A 47 -3.409 -4.771 -5.664 1.00 0.00 H new ATOM 0 HA THR A 47 -1.109 -5.472 -7.366 1.00 0.00 H new ATOM 0 HB THR A 47 -4.027 -6.130 -7.929 1.00 0.00 H new ATOM 0 HG1 THR A 47 -3.262 -8.339 -7.713 1.00 0.00 H new ATOM 0 HG21 THR A 47 -3.138 -7.351 -9.882 1.00 0.00 H new ATOM 0 HG22 THR A 47 -2.757 -5.614 -9.960 1.00 0.00 H new ATOM 0 HG23 THR A 47 -1.499 -6.781 -9.485 1.00 0.00 H new ATOM 734 N LEU A 48 -1.717 -3.664 -9.060 1.00 0.00 N ATOM 735 CA LEU A 48 -1.895 -2.442 -9.836 1.00 0.00 C ATOM 736 C LEU A 48 -1.520 -2.677 -11.298 1.00 0.00 C ATOM 737 O LEU A 48 -0.850 -3.657 -11.626 1.00 0.00 O ATOM 738 CB LEU A 48 -1.052 -1.305 -9.247 1.00 0.00 C ATOM 739 CG LEU A 48 -1.291 0.077 -9.865 1.00 0.00 C ATOM 740 CD1 LEU A 48 -2.746 0.490 -9.714 1.00 0.00 C ATOM 741 CD2 LEU A 48 -0.377 1.113 -9.228 1.00 0.00 C ATOM 0 H LEU A 48 -0.973 -4.273 -9.400 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.946 -2.156 -9.789 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.250 -1.245 -8.177 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.002 -1.559 -9.363 1.00 0.00 H new ATOM 0 HG LEU A 48 -1.060 0.018 -10.929 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -2.893 1.474 -10.160 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.384 -0.236 -10.218 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.005 0.528 -8.656 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.561 2.088 -9.680 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.577 1.165 -8.158 1.00 0.00 H new ATOM 0 HD23 LEU A 48 0.663 0.829 -9.389 1.00 0.00 H new ATOM 753 N ASN A 49 -1.962 -1.776 -12.171 1.00 0.00 N ATOM 754 CA ASN A 49 -1.688 -1.883 -13.602 1.00 0.00 C ATOM 755 C ASN A 49 -0.190 -1.998 -13.885 1.00 0.00 C ATOM 756 O ASN A 49 0.551 -1.021 -13.774 1.00 0.00 O ATOM 757 CB ASN A 49 -2.263 -0.673 -14.339 1.00 0.00 C ATOM 758 CG ASN A 49 -3.762 -0.542 -14.154 1.00 0.00 C ATOM 759 OD1 ASN A 49 -4.546 -1.098 -14.923 1.00 0.00 O ATOM 760 ND2 ASN A 49 -4.170 0.198 -13.129 1.00 0.00 N ATOM 0 H ASN A 49 -2.515 -0.959 -11.911 1.00 0.00 H new ATOM 0 HA ASN A 49 -2.168 -2.793 -13.962 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -1.775 0.233 -13.980 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -2.037 -0.757 -15.402 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -5.167 0.323 -12.955 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -3.486 0.641 -12.516 1.00 0.00 H new ATOM 767 N GLY A 50 0.244 -3.203 -14.253 1.00 0.00 N ATOM 768 CA GLY A 50 1.646 -3.433 -14.565 1.00 0.00 C ATOM 769 C GLY A 50 2.555 -3.321 -13.356 1.00 0.00 C ATOM 770 O GLY A 50 3.776 -3.420 -13.481 1.00 0.00 O ATOM 0 H GLY A 50 -0.352 -4.026 -14.341 1.00 0.00 H new ATOM 0 HA2 GLY A 50 1.756 -4.425 -15.003 1.00 0.00 H new ATOM 0 HA3 GLY A 50 1.966 -2.714 -15.320 1.00 0.00 H new ATOM 774 N ARG A 51 1.966 -3.115 -12.184 1.00 0.00 N ATOM 775 CA ARG A 51 2.739 -2.991 -10.954 1.00 0.00 C ATOM 776 C ARG A 51 2.110 -3.808 -9.830 1.00 0.00 C ATOM 777 O ARG A 51 0.922 -3.672 -9.541 1.00 0.00 O ATOM 778 CB ARG A 51 2.843 -1.521 -10.543 1.00 0.00 C ATOM 779 CG ARG A 51 3.476 -0.640 -11.609 1.00 0.00 C ATOM 780 CD ARG A 51 3.532 0.815 -11.174 1.00 0.00 C ATOM 781 NE ARG A 51 4.124 1.671 -12.198 1.00 0.00 N ATOM 782 CZ ARG A 51 4.061 2.998 -12.178 1.00 0.00 C ATOM 783 NH1 ARG A 51 3.427 3.620 -11.194 1.00 0.00 N ATOM 784 NH2 ARG A 51 4.632 3.705 -13.145 1.00 0.00 N ATOM 0 H ARG A 51 0.957 -3.030 -12.059 1.00 0.00 H new ATOM 0 HA ARG A 51 3.740 -3.380 -11.139 1.00 0.00 H new ATOM 0 HB2 ARG A 51 1.846 -1.144 -10.315 1.00 0.00 H new ATOM 0 HB3 ARG A 51 3.429 -1.448 -9.627 1.00 0.00 H new ATOM 0 HG2 ARG A 51 4.484 -0.995 -11.823 1.00 0.00 H new ATOM 0 HG3 ARG A 51 2.906 -0.722 -12.534 1.00 0.00 H new ATOM 0 HD2 ARG A 51 2.525 1.164 -10.948 1.00 0.00 H new ATOM 0 HD3 ARG A 51 4.112 0.896 -10.254 1.00 0.00 H new ATOM 0 HE ARG A 51 4.614 1.225 -12.973 1.00 0.00 H new ATOM 0 HH11 ARG A 51 2.986 3.080 -10.450 1.00 0.00 H new ATOM 0 HH12 ARG A 51 3.380 4.639 -11.181 1.00 0.00 H new ATOM 0 HH21 ARG A 51 5.120 3.230 -13.904 1.00 0.00 H new ATOM 0 HH22 ARG A 51 4.583 4.724 -13.129 1.00 0.00 H new ATOM 798 N THR A 52 2.913 -4.659 -9.199 1.00 0.00 N ATOM 799 CA THR A 52 2.430 -5.497 -8.109 1.00 0.00 C ATOM 800 C THR A 52 3.450 -5.572 -6.978 1.00 0.00 C ATOM 801 O THR A 52 4.643 -5.766 -7.217 1.00 0.00 O ATOM 802 CB THR A 52 2.110 -6.924 -8.595 1.00 0.00 C ATOM 803 OG1 THR A 52 1.190 -6.873 -9.691 1.00 0.00 O ATOM 804 CG2 THR A 52 1.515 -7.762 -7.472 1.00 0.00 C ATOM 0 H THR A 52 3.900 -4.786 -9.424 1.00 0.00 H new ATOM 0 HA THR A 52 1.515 -5.035 -7.738 1.00 0.00 H new ATOM 0 HB THR A 52 3.042 -7.388 -8.919 1.00 0.00 H new ATOM 0 HG1 THR A 52 0.993 -7.783 -9.995 1.00 0.00 H new ATOM 0 HG21 THR A 52 1.298 -8.764 -7.842 1.00 0.00 H new ATOM 0 HG22 THR A 52 2.226 -7.825 -6.649 1.00 0.00 H new ATOM 0 HG23 THR A 52 0.593 -7.298 -7.121 1.00 0.00 H new ATOM 812 N GLY A 53 2.972 -5.417 -5.747 1.00 0.00 N ATOM 813 CA GLY A 53 3.854 -5.469 -4.597 1.00 0.00 C ATOM 814 C GLY A 53 3.236 -4.842 -3.362 1.00 0.00 C ATOM 815 O GLY A 53 2.052 -4.505 -3.355 1.00 0.00 O ATOM 0 H GLY A 53 1.989 -5.256 -5.526 1.00 0.00 H new ATOM 0 HA2 GLY A 53 4.108 -6.508 -4.385 1.00 0.00 H new ATOM 0 HA3 GLY A 53 4.785 -4.955 -4.834 1.00 0.00 H new ATOM 819 N TRP A 54 4.040 -4.688 -2.316 1.00 0.00 N ATOM 820 CA TRP A 54 3.571 -4.095 -1.068 1.00 0.00 C ATOM 821 C TRP A 54 3.556 -2.574 -1.162 1.00 0.00 C ATOM 822 O TRP A 54 4.260 -1.984 -1.983 1.00 0.00 O ATOM 823 CB TRP A 54 4.462 -4.532 0.097 1.00 0.00 C ATOM 824 CG TRP A 54 4.457 -6.011 0.338 1.00 0.00 C ATOM 825 CD1 TRP A 54 5.071 -6.967 -0.419 1.00 0.00 C ATOM 826 CD2 TRP A 54 3.810 -6.702 1.411 1.00 0.00 C ATOM 827 NE1 TRP A 54 4.843 -8.211 0.118 1.00 0.00 N ATOM 828 CE2 TRP A 54 4.072 -8.074 1.243 1.00 0.00 C ATOM 829 CE3 TRP A 54 3.035 -6.292 2.500 1.00 0.00 C ATOM 830 CZ2 TRP A 54 3.585 -9.038 2.122 1.00 0.00 C ATOM 831 CZ3 TRP A 54 2.553 -7.250 3.372 1.00 0.00 C ATOM 832 CH2 TRP A 54 2.830 -8.609 3.179 1.00 0.00 C ATOM 0 H TRP A 54 5.021 -4.966 -2.307 1.00 0.00 H new ATOM 0 HA TRP A 54 2.554 -4.443 -0.891 1.00 0.00 H new ATOM 0 HB2 TRP A 54 5.484 -4.208 -0.098 1.00 0.00 H new ATOM 0 HB3 TRP A 54 4.134 -4.024 1.004 1.00 0.00 H new ATOM 0 HD1 TRP A 54 5.651 -6.774 -1.309 1.00 0.00 H new ATOM 0 HE1 TRP A 54 5.191 -9.093 -0.259 1.00 0.00 H new ATOM 0 HE3 TRP A 54 2.817 -5.246 2.657 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 3.796 -10.087 1.974 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 1.953 -6.945 4.216 1.00 0.00 H new ATOM 0 HH2 TRP A 54 2.440 -9.333 3.879 1.00 0.00 H new ATOM 843 N PHE A 55 2.751 -1.944 -0.313 1.00 0.00 N ATOM 844 CA PHE A 55 2.646 -0.491 -0.289 1.00 0.00 C ATOM 845 C PHE A 55 2.295 -0.001 1.116 1.00 0.00 C ATOM 846 O PHE A 55 1.539 -0.657 1.834 1.00 0.00 O ATOM 847 CB PHE A 55 1.601 -0.007 -1.299 1.00 0.00 C ATOM 848 CG PHE A 55 0.253 -0.653 -1.138 1.00 0.00 C ATOM 849 CD1 PHE A 55 -0.684 -0.129 -0.263 1.00 0.00 C ATOM 850 CD2 PHE A 55 -0.077 -1.783 -1.869 1.00 0.00 C ATOM 851 CE1 PHE A 55 -1.925 -0.720 -0.118 1.00 0.00 C ATOM 852 CE2 PHE A 55 -1.317 -2.379 -1.727 1.00 0.00 C ATOM 853 CZ PHE A 55 -2.242 -1.847 -0.851 1.00 0.00 C ATOM 0 H PHE A 55 2.160 -2.419 0.369 1.00 0.00 H new ATOM 0 HA PHE A 55 3.614 -0.075 -0.569 1.00 0.00 H new ATOM 0 HB2 PHE A 55 1.489 1.073 -1.202 1.00 0.00 H new ATOM 0 HB3 PHE A 55 1.968 -0.200 -2.307 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -0.442 0.752 0.313 1.00 0.00 H new ATOM 0 HD2 PHE A 55 0.642 -2.203 -2.557 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -2.646 -0.301 0.568 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -1.562 -3.260 -2.301 1.00 0.00 H new ATOM 0 HZ PHE A 55 -3.211 -2.311 -0.739 1.00 0.00 H new ATOM 863 N PRO A 56 2.838 1.160 1.529 1.00 0.00 N ATOM 864 CA PRO A 56 2.582 1.722 2.860 1.00 0.00 C ATOM 865 C PRO A 56 1.103 2.003 3.098 1.00 0.00 C ATOM 866 O PRO A 56 0.484 2.775 2.366 1.00 0.00 O ATOM 867 CB PRO A 56 3.382 3.030 2.868 1.00 0.00 C ATOM 868 CG PRO A 56 3.627 3.345 1.431 1.00 0.00 C ATOM 869 CD PRO A 56 3.731 2.021 0.734 1.00 0.00 C ATOM 0 HA PRO A 56 2.872 1.029 3.650 1.00 0.00 H new ATOM 0 HB2 PRO A 56 2.826 3.829 3.357 1.00 0.00 H new ATOM 0 HB3 PRO A 56 4.320 2.915 3.412 1.00 0.00 H new ATOM 0 HG2 PRO A 56 2.814 3.942 1.017 1.00 0.00 H new ATOM 0 HG3 PRO A 56 4.542 3.924 1.308 1.00 0.00 H new ATOM 0 HD2 PRO A 56 3.410 2.085 -0.306 1.00 0.00 H new ATOM 0 HD3 PRO A 56 4.755 1.646 0.729 1.00 0.00 H new ATOM 877 N SER A 57 0.543 1.372 4.128 1.00 0.00 N ATOM 878 CA SER A 57 -0.864 1.553 4.466 1.00 0.00 C ATOM 879 C SER A 57 -1.109 2.936 5.061 1.00 0.00 C ATOM 880 O SER A 57 -2.249 3.397 5.136 1.00 0.00 O ATOM 881 CB SER A 57 -1.321 0.475 5.451 1.00 0.00 C ATOM 882 OG SER A 57 -0.647 0.598 6.692 1.00 0.00 O ATOM 0 H SER A 57 1.044 0.730 4.743 1.00 0.00 H new ATOM 0 HA SER A 57 -1.443 1.464 3.547 1.00 0.00 H new ATOM 0 HB2 SER A 57 -2.397 0.555 5.609 1.00 0.00 H new ATOM 0 HB3 SER A 57 -1.133 -0.512 5.028 1.00 0.00 H new ATOM 0 HG SER A 57 -0.958 -0.101 7.304 1.00 0.00 H new ATOM 888 N ASN A 58 -0.032 3.594 5.480 1.00 0.00 N ATOM 889 CA ASN A 58 -0.132 4.925 6.068 1.00 0.00 C ATOM 890 C ASN A 58 -0.123 5.998 4.985 1.00 0.00 C ATOM 891 O ASN A 58 -0.601 7.113 5.196 1.00 0.00 O ATOM 892 CB ASN A 58 1.015 5.163 7.049 1.00 0.00 C ATOM 893 CG ASN A 58 0.947 4.245 8.255 1.00 0.00 C ATOM 894 OD1 ASN A 58 0.458 3.119 8.165 1.00 0.00 O ATOM 895 ND2 ASN A 58 1.435 4.725 9.393 1.00 0.00 N ATOM 0 H ASN A 58 0.918 3.228 5.423 1.00 0.00 H new ATOM 0 HA ASN A 58 -1.077 4.986 6.608 1.00 0.00 H new ATOM 0 HB2 ASN A 58 1.965 5.014 6.536 1.00 0.00 H new ATOM 0 HB3 ASN A 58 0.993 6.200 7.384 1.00 0.00 H new ATOM 0 HD21 ASN A 58 1.414 4.154 10.238 1.00 0.00 H new ATOM 0 HD22 ASN A 58 1.831 5.664 9.422 1.00 0.00 H new ATOM 902 N TYR A 59 0.425 5.653 3.824 1.00 0.00 N ATOM 903 CA TYR A 59 0.495 6.581 2.702 1.00 0.00 C ATOM 904 C TYR A 59 -0.700 6.397 1.775 1.00 0.00 C ATOM 905 O TYR A 59 -0.858 7.127 0.797 1.00 0.00 O ATOM 906 CB TYR A 59 1.802 6.383 1.930 1.00 0.00 C ATOM 907 CG TYR A 59 2.895 7.354 2.322 1.00 0.00 C ATOM 908 CD1 TYR A 59 3.145 7.655 3.656 1.00 0.00 C ATOM 909 CD2 TYR A 59 3.674 7.975 1.353 1.00 0.00 C ATOM 910 CE1 TYR A 59 4.140 8.545 4.013 1.00 0.00 C ATOM 911 CE2 TYR A 59 4.671 8.865 1.703 1.00 0.00 C ATOM 912 CZ TYR A 59 4.899 9.148 3.033 1.00 0.00 C ATOM 913 OH TYR A 59 5.891 10.036 3.383 1.00 0.00 O ATOM 0 H TYR A 59 0.828 4.735 3.636 1.00 0.00 H new ATOM 0 HA TYR A 59 0.470 7.597 3.095 1.00 0.00 H new ATOM 0 HB2 TYR A 59 2.158 5.365 2.091 1.00 0.00 H new ATOM 0 HB3 TYR A 59 1.602 6.486 0.863 1.00 0.00 H new ATOM 0 HD1 TYR A 59 2.552 7.185 4.426 1.00 0.00 H new ATOM 0 HD2 TYR A 59 3.497 7.758 0.310 1.00 0.00 H new ATOM 0 HE1 TYR A 59 4.322 8.767 5.054 1.00 0.00 H new ATOM 0 HE2 TYR A 59 5.269 9.337 0.938 1.00 0.00 H new ATOM 0 HH TYR A 59 6.332 10.370 2.574 1.00 0.00 H new ATOM 923 N VAL A 60 -1.538 5.415 2.092 1.00 0.00 N ATOM 924 CA VAL A 60 -2.726 5.133 1.296 1.00 0.00 C ATOM 925 C VAL A 60 -3.978 5.126 2.170 1.00 0.00 C ATOM 926 O VAL A 60 -3.910 4.816 3.360 1.00 0.00 O ATOM 927 CB VAL A 60 -2.605 3.781 0.560 1.00 0.00 C ATOM 928 CG1 VAL A 60 -1.418 3.796 -0.389 1.00 0.00 C ATOM 929 CG2 VAL A 60 -2.485 2.633 1.549 1.00 0.00 C ATOM 0 H VAL A 60 -1.415 4.800 2.897 1.00 0.00 H new ATOM 0 HA VAL A 60 -2.811 5.927 0.554 1.00 0.00 H new ATOM 0 HB VAL A 60 -3.513 3.630 -0.024 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -1.348 2.835 -0.899 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -1.551 4.589 -1.125 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -0.503 3.975 0.176 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -2.401 1.692 1.006 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -1.598 2.776 2.166 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -3.370 2.607 2.185 1.00 0.00 H new ATOM 939 N ARG A 61 -5.116 5.467 1.575 1.00 0.00 N ATOM 940 CA ARG A 61 -6.379 5.506 2.307 1.00 0.00 C ATOM 941 C ARG A 61 -7.501 4.868 1.494 1.00 0.00 C ATOM 942 O ARG A 61 -7.593 5.063 0.283 1.00 0.00 O ATOM 943 CB ARG A 61 -6.744 6.949 2.659 1.00 0.00 C ATOM 944 CG ARG A 61 -5.789 7.596 3.650 1.00 0.00 C ATOM 945 CD ARG A 61 -5.909 6.974 5.033 1.00 0.00 C ATOM 946 NE ARG A 61 -7.232 7.183 5.617 1.00 0.00 N ATOM 947 CZ ARG A 61 -7.744 6.418 6.578 1.00 0.00 C ATOM 948 NH1 ARG A 61 -7.054 5.391 7.053 1.00 0.00 N ATOM 949 NH2 ARG A 61 -8.950 6.681 7.066 1.00 0.00 N ATOM 0 H ARG A 61 -5.191 5.720 0.590 1.00 0.00 H new ATOM 0 HA ARG A 61 -6.254 4.935 3.227 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -6.763 7.543 1.745 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -7.752 6.969 3.073 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -4.765 7.491 3.291 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -5.997 8.664 3.712 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -5.707 5.905 4.968 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -5.152 7.402 5.690 1.00 0.00 H new ATOM 0 HE ARG A 61 -7.795 7.959 5.268 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -6.127 5.184 6.682 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -7.450 4.807 7.790 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -9.485 7.470 6.704 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -9.341 6.094 7.803 1.00 0.00 H new ATOM 963 N GLU A 62 -8.354 4.108 2.177 1.00 0.00 N ATOM 964 CA GLU A 62 -9.471 3.424 1.531 1.00 0.00 C ATOM 965 C GLU A 62 -10.294 4.387 0.679 1.00 0.00 C ATOM 966 O GLU A 62 -10.413 5.570 0.999 1.00 0.00 O ATOM 967 CB GLU A 62 -10.366 2.768 2.586 1.00 0.00 C ATOM 968 CG GLU A 62 -11.476 1.912 1.995 1.00 0.00 C ATOM 969 CD GLU A 62 -12.379 1.313 3.055 1.00 0.00 C ATOM 970 OE1 GLU A 62 -12.008 0.270 3.630 1.00 0.00 O ATOM 971 OE2 GLU A 62 -13.459 1.888 3.308 1.00 0.00 O ATOM 0 H GLU A 62 -8.292 3.950 3.183 1.00 0.00 H new ATOM 0 HA GLU A 62 -9.060 2.656 0.875 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -9.750 2.150 3.239 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -10.810 3.545 3.208 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -12.074 2.518 1.314 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -11.035 1.110 1.403 1.00 0.00 H new ATOM 978 N VAL A 63 -10.856 3.869 -0.411 1.00 0.00 N ATOM 979 CA VAL A 63 -11.671 4.677 -1.312 1.00 0.00 C ATOM 980 C VAL A 63 -13.155 4.505 -1.005 1.00 0.00 C ATOM 981 O VAL A 63 -13.603 3.411 -0.663 1.00 0.00 O ATOM 982 CB VAL A 63 -11.425 4.302 -2.787 1.00 0.00 C ATOM 983 CG1 VAL A 63 -12.104 5.300 -3.714 1.00 0.00 C ATOM 984 CG2 VAL A 63 -9.934 4.217 -3.081 1.00 0.00 C ATOM 0 H VAL A 63 -10.761 2.893 -0.691 1.00 0.00 H new ATOM 0 HA VAL A 63 -11.380 5.716 -1.155 1.00 0.00 H new ATOM 0 HB VAL A 63 -11.861 3.319 -2.967 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -11.919 5.018 -4.751 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -13.177 5.301 -3.524 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -11.703 6.297 -3.532 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -9.784 3.951 -4.127 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -9.468 5.182 -2.881 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -9.480 3.457 -2.445 1.00 0.00 H new