USER MOD reduce.3.24.130724 H: found=0, std=0, add=636, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 637 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.288 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN : amide:sc= -0.0789 K(o=-0.079,f=-0.97) USER MOD Single : A 18 THR OG1 : rot -3:sc= -1.41 USER MOD Single : A 19 THR OG1 : rot 74:sc= 1.25 USER MOD Single : A 20 SER OG : rot -30:sc= -0.0297 USER MOD Single : A 40 CYS SG : rot -13:sc= -2 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= -0.843 K(o=-0.84,f=-0.13) USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0.2) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -3.45 K(o=-3.4,f=-4.6!) USER MOD Single : A 65 THR OG1 : rot 180:sc=-0.00678 USER MOD Single : A 67 GLN : amide:sc= -0.0454 K(o=-0.045,f=-1.9!) USER MOD Single : A 68 GLN : amide:sc= -0.733 K(o=-0.73,f=-2.8!) USER MOD Single : A 69 THR OG1 : rot 78:sc= -0.169 USER MOD Single : A 71 GLN : amide:sc= -0.0207 K(o=-0.021,f=-0.57) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= -0.201 X(o=-0.2,f=0) USER MOD Single : A 80 HIS : no HD1:sc= -0.542 K(o=-0.54,f=-1.3) USER MOD Single : A 86 LYS NZ :NH3+ -156:sc= -0.045 (180deg=-0.308) USER MOD Single : A 91 SER OG : rot 180:sc= -0.107 USER MOD Single : A 93 ASN : amide:sc= -0.154 K(o=-0.15,f=-2!) USER MOD Single : A 97 ASN : amide:sc= -0.17 K(o=-0.17,f=-2!) USER MOD Single : A 98 ASN : amide:sc= -0.811 K(o=-0.81,f=-0.062) USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD ----------------------------------------------------------------- ATOM 121 N THR A 11 17.822 4.111 -0.241 1.00 0.00 N ATOM 122 CA THR A 11 17.262 2.783 -0.456 1.00 0.00 C ATOM 123 C THR A 11 16.688 2.213 0.836 1.00 0.00 C ATOM 124 O THR A 11 15.517 1.836 0.895 1.00 0.00 O ATOM 125 CB THR A 11 18.320 1.809 -1.008 1.00 0.00 C ATOM 126 OG1 THR A 11 19.375 1.641 -0.055 1.00 0.00 O ATOM 127 CG2 THR A 11 18.892 2.319 -2.322 1.00 0.00 C ATOM 0 HA THR A 11 16.463 2.892 -1.189 1.00 0.00 H new ATOM 0 HB THR A 11 17.838 0.848 -1.189 1.00 0.00 H new ATOM 0 HG1 THR A 11 20.043 1.019 -0.413 1.00 0.00 H new ATOM 0 HG21 THR A 11 19.637 1.615 -2.692 1.00 0.00 H new ATOM 0 HG22 THR A 11 18.090 2.418 -3.054 1.00 0.00 H new ATOM 0 HG23 THR A 11 19.359 3.291 -2.163 1.00 0.00 H new ATOM 135 N LYS A 12 17.519 2.152 1.871 1.00 0.00 N ATOM 136 CA LYS A 12 17.094 1.630 3.164 1.00 0.00 C ATOM 137 C LYS A 12 15.660 2.046 3.475 1.00 0.00 C ATOM 138 O LYS A 12 14.849 1.233 3.920 1.00 0.00 O ATOM 139 CB LYS A 12 18.031 2.124 4.269 1.00 0.00 C ATOM 140 CG LYS A 12 17.970 1.288 5.537 1.00 0.00 C ATOM 141 CD LYS A 12 18.870 0.068 5.444 1.00 0.00 C ATOM 142 CE LYS A 12 18.447 -1.013 6.427 1.00 0.00 C ATOM 143 NZ LYS A 12 19.304 -2.226 6.320 1.00 0.00 N ATOM 0 H LYS A 12 18.492 2.458 1.839 1.00 0.00 H new ATOM 0 HA LYS A 12 17.136 0.542 3.120 1.00 0.00 H new ATOM 0 HB2 LYS A 12 19.054 2.125 3.893 1.00 0.00 H new ATOM 0 HB3 LYS A 12 17.780 3.157 4.512 1.00 0.00 H new ATOM 0 HG2 LYS A 12 18.268 1.897 6.390 1.00 0.00 H new ATOM 0 HG3 LYS A 12 16.943 0.971 5.716 1.00 0.00 H new ATOM 0 HD2 LYS A 12 18.842 -0.330 4.430 1.00 0.00 H new ATOM 0 HD3 LYS A 12 19.901 0.359 5.643 1.00 0.00 H new ATOM 0 HE2 LYS A 12 18.498 -0.621 7.443 1.00 0.00 H new ATOM 0 HE3 LYS A 12 17.408 -1.285 6.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 18.984 -2.939 7.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 19.236 -2.616 5.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 20.292 -1.972 6.521 1.00 0.00 H new ATOM 157 N LEU A 13 15.353 3.317 3.237 1.00 0.00 N ATOM 158 CA LEU A 13 14.016 3.841 3.490 1.00 0.00 C ATOM 159 C LEU A 13 12.980 3.132 2.624 1.00 0.00 C ATOM 160 O LEU A 13 12.065 2.487 3.136 1.00 0.00 O ATOM 161 CB LEU A 13 13.977 5.347 3.222 1.00 0.00 C ATOM 162 CG LEU A 13 12.892 6.133 3.959 1.00 0.00 C ATOM 163 CD1 LEU A 13 13.099 7.628 3.776 1.00 0.00 C ATOM 164 CD2 LEU A 13 11.511 5.720 3.472 1.00 0.00 C ATOM 0 H LEU A 13 16.012 4.003 2.869 1.00 0.00 H new ATOM 0 HA LEU A 13 13.774 3.658 4.537 1.00 0.00 H new ATOM 0 HB2 LEU A 13 14.946 5.768 3.488 1.00 0.00 H new ATOM 0 HB3 LEU A 13 13.845 5.502 2.151 1.00 0.00 H new ATOM 0 HG LEU A 13 12.963 5.905 5.022 1.00 0.00 H new ATOM 0 HD11 LEU A 13 12.318 8.171 4.307 1.00 0.00 H new ATOM 0 HD12 LEU A 13 14.073 7.912 4.174 1.00 0.00 H new ATOM 0 HD13 LEU A 13 13.055 7.874 2.715 1.00 0.00 H new ATOM 0 HD21 LEU A 13 10.751 6.289 4.007 1.00 0.00 H new ATOM 0 HD22 LEU A 13 11.428 5.918 2.403 1.00 0.00 H new ATOM 0 HD23 LEU A 13 11.364 4.656 3.656 1.00 0.00 H new ATOM 176 N TRP A 14 13.132 3.255 1.310 1.00 0.00 N ATOM 177 CA TRP A 14 12.210 2.623 0.372 1.00 0.00 C ATOM 178 C TRP A 14 12.009 1.151 0.714 1.00 0.00 C ATOM 179 O TRP A 14 10.884 0.655 0.722 1.00 0.00 O ATOM 180 CB TRP A 14 12.733 2.761 -1.059 1.00 0.00 C ATOM 181 CG TRP A 14 12.093 1.804 -2.019 1.00 0.00 C ATOM 182 CD1 TRP A 14 12.466 0.513 -2.261 1.00 0.00 C ATOM 183 CD2 TRP A 14 10.969 2.065 -2.867 1.00 0.00 C ATOM 184 NE1 TRP A 14 11.642 -0.045 -3.208 1.00 0.00 N ATOM 185 CE2 TRP A 14 10.715 0.886 -3.596 1.00 0.00 C ATOM 186 CE3 TRP A 14 10.152 3.178 -3.081 1.00 0.00 C ATOM 187 CZ2 TRP A 14 9.680 0.792 -4.521 1.00 0.00 C ATOM 188 CZ3 TRP A 14 9.125 3.083 -4.000 1.00 0.00 C ATOM 189 CH2 TRP A 14 8.895 1.897 -4.711 1.00 0.00 C ATOM 0 H TRP A 14 13.884 3.786 0.870 1.00 0.00 H new ATOM 0 HA TRP A 14 11.248 3.129 0.450 1.00 0.00 H new ATOM 0 HB2 TRP A 14 12.561 3.780 -1.404 1.00 0.00 H new ATOM 0 HB3 TRP A 14 13.811 2.601 -1.061 1.00 0.00 H new ATOM 0 HD1 TRP A 14 13.288 0.005 -1.779 1.00 0.00 H new ATOM 0 HE1 TRP A 14 11.709 -0.998 -3.565 1.00 0.00 H new ATOM 0 HE3 TRP A 14 10.320 4.096 -2.538 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 9.502 -0.121 -5.070 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 8.488 3.938 -4.174 1.00 0.00 H new ATOM 0 HH2 TRP A 14 8.083 1.854 -5.422 1.00 0.00 H new ATOM 200 N ASN A 15 13.108 0.459 0.997 1.00 0.00 N ATOM 201 CA ASN A 15 13.051 -0.958 1.339 1.00 0.00 C ATOM 202 C ASN A 15 12.232 -1.179 2.607 1.00 0.00 C ATOM 203 O ASN A 15 11.464 -2.135 2.703 1.00 0.00 O ATOM 204 CB ASN A 15 14.463 -1.515 1.528 1.00 0.00 C ATOM 205 CG ASN A 15 15.095 -1.944 0.217 1.00 0.00 C ATOM 206 OD1 ASN A 15 14.421 -2.472 -0.667 1.00 0.00 O ATOM 207 ND2 ASN A 15 16.397 -1.717 0.087 1.00 0.00 N ATOM 0 H ASN A 15 14.048 0.856 0.996 1.00 0.00 H new ATOM 0 HA ASN A 15 12.566 -1.485 0.518 1.00 0.00 H new ATOM 0 HB2 ASN A 15 15.089 -0.758 2.000 1.00 0.00 H new ATOM 0 HB3 ASN A 15 14.427 -2.367 2.207 1.00 0.00 H new ATOM 0 HD21 ASN A 15 16.878 -1.983 -0.772 1.00 0.00 H new ATOM 0 HD22 ASN A 15 16.916 -1.276 0.846 1.00 0.00 H new ATOM 214 N GLU A 16 12.402 -0.286 3.578 1.00 0.00 N ATOM 215 CA GLU A 16 11.678 -0.384 4.840 1.00 0.00 C ATOM 216 C GLU A 16 10.181 -0.181 4.626 1.00 0.00 C ATOM 217 O GLU A 16 9.368 -1.023 5.008 1.00 0.00 O ATOM 218 CB GLU A 16 12.207 0.648 5.838 1.00 0.00 C ATOM 219 CG GLU A 16 12.086 0.211 7.288 1.00 0.00 C ATOM 220 CD GLU A 16 12.252 1.362 8.261 1.00 0.00 C ATOM 221 OE1 GLU A 16 13.326 1.998 8.249 1.00 0.00 O ATOM 222 OE2 GLU A 16 11.307 1.627 9.033 1.00 0.00 O ATOM 0 H GLU A 16 13.034 0.512 3.515 1.00 0.00 H new ATOM 0 HA GLU A 16 11.837 -1.384 5.244 1.00 0.00 H new ATOM 0 HB2 GLU A 16 13.254 0.853 5.615 1.00 0.00 H new ATOM 0 HB3 GLU A 16 11.664 1.583 5.703 1.00 0.00 H new ATOM 0 HG2 GLU A 16 11.112 -0.253 7.443 1.00 0.00 H new ATOM 0 HG3 GLU A 16 12.839 -0.549 7.498 1.00 0.00 H new ATOM 229 N VAL A 17 9.824 0.943 4.013 1.00 0.00 N ATOM 230 CA VAL A 17 8.425 1.258 3.747 1.00 0.00 C ATOM 231 C VAL A 17 7.791 0.215 2.834 1.00 0.00 C ATOM 232 O VAL A 17 6.621 -0.135 2.990 1.00 0.00 O ATOM 233 CB VAL A 17 8.276 2.648 3.101 1.00 0.00 C ATOM 234 CG1 VAL A 17 9.112 2.740 1.833 1.00 0.00 C ATOM 235 CG2 VAL A 17 6.813 2.945 2.808 1.00 0.00 C ATOM 0 H VAL A 17 10.484 1.651 3.691 1.00 0.00 H new ATOM 0 HA VAL A 17 7.912 1.255 4.708 1.00 0.00 H new ATOM 0 HB VAL A 17 8.641 3.397 3.803 1.00 0.00 H new ATOM 0 HG11 VAL A 17 8.994 3.729 1.390 1.00 0.00 H new ATOM 0 HG12 VAL A 17 10.161 2.574 2.076 1.00 0.00 H new ATOM 0 HG13 VAL A 17 8.780 1.983 1.123 1.00 0.00 H new ATOM 0 HG21 VAL A 17 6.726 3.931 2.352 1.00 0.00 H new ATOM 0 HG22 VAL A 17 6.419 2.193 2.124 1.00 0.00 H new ATOM 0 HG23 VAL A 17 6.244 2.924 3.738 1.00 0.00 H new ATOM 245 N THR A 18 8.572 -0.282 1.879 1.00 0.00 N ATOM 246 CA THR A 18 8.087 -1.285 0.940 1.00 0.00 C ATOM 247 C THR A 18 7.826 -2.613 1.641 1.00 0.00 C ATOM 248 O THR A 18 6.814 -3.269 1.394 1.00 0.00 O ATOM 249 CB THR A 18 9.090 -1.511 -0.208 1.00 0.00 C ATOM 250 OG1 THR A 18 10.368 -1.876 0.324 1.00 0.00 O ATOM 251 CG2 THR A 18 9.228 -0.259 -1.060 1.00 0.00 C ATOM 0 H THR A 18 9.543 -0.006 1.736 1.00 0.00 H new ATOM 0 HA THR A 18 7.152 -0.906 0.527 1.00 0.00 H new ATOM 0 HB THR A 18 8.714 -2.319 -0.836 1.00 0.00 H new ATOM 0 HG1 THR A 18 10.333 -1.854 1.303 1.00 0.00 H new ATOM 0 HG21 THR A 18 9.941 -0.443 -1.864 1.00 0.00 H new ATOM 0 HG22 THR A 18 8.259 -0.001 -1.487 1.00 0.00 H new ATOM 0 HG23 THR A 18 9.583 0.565 -0.441 1.00 0.00 H new ATOM 259 N THR A 19 8.746 -3.006 2.517 1.00 0.00 N ATOM 260 CA THR A 19 8.616 -4.257 3.253 1.00 0.00 C ATOM 261 C THR A 19 7.437 -4.206 4.219 1.00 0.00 C ATOM 262 O THR A 19 6.713 -5.188 4.381 1.00 0.00 O ATOM 263 CB THR A 19 9.898 -4.580 4.043 1.00 0.00 C ATOM 264 OG1 THR A 19 10.998 -4.753 3.142 1.00 0.00 O ATOM 265 CG2 THR A 19 9.717 -5.839 4.877 1.00 0.00 C ATOM 0 H THR A 19 9.590 -2.475 2.734 1.00 0.00 H new ATOM 0 HA THR A 19 8.445 -5.041 2.516 1.00 0.00 H new ATOM 0 HB THR A 19 10.105 -3.746 4.713 1.00 0.00 H new ATOM 0 HG1 THR A 19 11.273 -3.881 2.791 1.00 0.00 H new ATOM 0 HG21 THR A 19 10.635 -6.047 5.426 1.00 0.00 H new ATOM 0 HG22 THR A 19 8.898 -5.694 5.582 1.00 0.00 H new ATOM 0 HG23 THR A 19 9.488 -6.679 4.222 1.00 0.00 H new ATOM 273 N SER A 20 7.251 -3.055 4.858 1.00 0.00 N ATOM 274 CA SER A 20 6.161 -2.878 5.810 1.00 0.00 C ATOM 275 C SER A 20 4.809 -2.929 5.105 1.00 0.00 C ATOM 276 O SER A 20 3.910 -3.663 5.515 1.00 0.00 O ATOM 277 CB SER A 20 6.313 -1.547 6.549 1.00 0.00 C ATOM 278 OG SER A 20 6.223 -0.453 5.653 1.00 0.00 O ATOM 0 H SER A 20 7.841 -2.232 4.734 1.00 0.00 H new ATOM 0 HA SER A 20 6.206 -3.694 6.531 1.00 0.00 H new ATOM 0 HB2 SER A 20 5.539 -1.461 7.312 1.00 0.00 H new ATOM 0 HB3 SER A 20 7.273 -1.521 7.064 1.00 0.00 H new ATOM 0 HG SER A 20 6.558 -0.723 4.773 1.00 0.00 H new ATOM 284 N PHE A 21 4.673 -2.144 4.041 1.00 0.00 N ATOM 285 CA PHE A 21 3.432 -2.098 3.278 1.00 0.00 C ATOM 286 C PHE A 21 2.897 -3.504 3.025 1.00 0.00 C ATOM 287 O PHE A 21 1.804 -3.854 3.472 1.00 0.00 O ATOM 288 CB PHE A 21 3.653 -1.376 1.947 1.00 0.00 C ATOM 289 CG PHE A 21 2.495 -1.501 0.999 1.00 0.00 C ATOM 290 CD1 PHE A 21 2.376 -2.605 0.170 1.00 0.00 C ATOM 291 CD2 PHE A 21 1.525 -0.513 0.935 1.00 0.00 C ATOM 292 CE1 PHE A 21 1.312 -2.723 -0.704 1.00 0.00 C ATOM 293 CE2 PHE A 21 0.459 -0.625 0.063 1.00 0.00 C ATOM 294 CZ PHE A 21 0.352 -1.731 -0.758 1.00 0.00 C ATOM 0 H PHE A 21 5.408 -1.531 3.688 1.00 0.00 H new ATOM 0 HA PHE A 21 2.695 -1.548 3.863 1.00 0.00 H new ATOM 0 HB2 PHE A 21 3.840 -0.320 2.142 1.00 0.00 H new ATOM 0 HB3 PHE A 21 4.548 -1.776 1.470 1.00 0.00 H new ATOM 0 HD1 PHE A 21 3.124 -3.383 0.207 1.00 0.00 H new ATOM 0 HD2 PHE A 21 1.603 0.354 1.574 1.00 0.00 H new ATOM 0 HE1 PHE A 21 1.231 -3.589 -1.344 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -0.290 0.152 0.023 1.00 0.00 H new ATOM 0 HZ PHE A 21 -0.480 -1.820 -1.440 1.00 0.00 H new ATOM 304 N ARG A 22 3.674 -4.306 2.304 1.00 0.00 N ATOM 305 CA ARG A 22 3.279 -5.673 1.989 1.00 0.00 C ATOM 306 C ARG A 22 2.756 -6.388 3.231 1.00 0.00 C ATOM 307 O ARG A 22 1.588 -6.769 3.294 1.00 0.00 O ATOM 308 CB ARG A 22 4.461 -6.446 1.403 1.00 0.00 C ATOM 309 CG ARG A 22 4.053 -7.526 0.414 1.00 0.00 C ATOM 310 CD ARG A 22 3.481 -8.743 1.124 1.00 0.00 C ATOM 311 NE ARG A 22 4.515 -9.516 1.806 1.00 0.00 N ATOM 312 CZ ARG A 22 4.436 -10.825 2.016 1.00 0.00 C ATOM 313 NH1 ARG A 22 3.376 -11.504 1.599 1.00 0.00 N ATOM 314 NH2 ARG A 22 5.419 -11.458 2.644 1.00 0.00 N ATOM 0 H ARG A 22 4.581 -4.032 1.927 1.00 0.00 H new ATOM 0 HA ARG A 22 2.478 -5.632 1.250 1.00 0.00 H new ATOM 0 HB2 ARG A 22 5.132 -5.745 0.906 1.00 0.00 H new ATOM 0 HB3 ARG A 22 5.024 -6.904 2.216 1.00 0.00 H new ATOM 0 HG2 ARG A 22 3.313 -7.126 -0.279 1.00 0.00 H new ATOM 0 HG3 ARG A 22 4.918 -7.823 -0.180 1.00 0.00 H new ATOM 0 HD2 ARG A 22 2.732 -8.421 1.848 1.00 0.00 H new ATOM 0 HD3 ARG A 22 2.972 -9.379 0.400 1.00 0.00 H new ATOM 0 HE ARG A 22 5.344 -9.024 2.140 1.00 0.00 H new ATOM 0 HH11 ARG A 22 2.619 -11.021 1.116 1.00 0.00 H new ATOM 0 HH12 ARG A 22 3.318 -12.509 1.762 1.00 0.00 H new ATOM 0 HH21 ARG A 22 6.236 -10.939 2.966 1.00 0.00 H new ATOM 0 HH22 ARG A 22 5.357 -12.463 2.805 1.00 0.00 H new ATOM 328 N ALA A 23 3.629 -6.565 4.217 1.00 0.00 N ATOM 329 CA ALA A 23 3.255 -7.232 5.458 1.00 0.00 C ATOM 330 C ALA A 23 2.025 -6.582 6.082 1.00 0.00 C ATOM 331 O ALA A 23 1.252 -7.236 6.781 1.00 0.00 O ATOM 332 CB ALA A 23 4.418 -7.214 6.439 1.00 0.00 C ATOM 0 H ALA A 23 4.600 -6.256 4.181 1.00 0.00 H new ATOM 0 HA ALA A 23 3.007 -8.267 5.224 1.00 0.00 H new ATOM 0 HB1 ALA A 23 4.124 -7.716 7.361 1.00 0.00 H new ATOM 0 HB2 ALA A 23 5.272 -7.731 6.001 1.00 0.00 H new ATOM 0 HB3 ALA A 23 4.693 -6.182 6.659 1.00 0.00 H new ATOM 338 N GLY A 24 1.850 -5.289 5.825 1.00 0.00 N ATOM 339 CA GLY A 24 0.712 -4.572 6.370 1.00 0.00 C ATOM 340 C GLY A 24 -0.523 -5.444 6.481 1.00 0.00 C ATOM 341 O GLY A 24 -1.224 -5.412 7.492 1.00 0.00 O ATOM 0 H GLY A 24 2.476 -4.726 5.249 1.00 0.00 H new ATOM 0 HA2 GLY A 24 0.969 -4.184 7.356 1.00 0.00 H new ATOM 0 HA3 GLY A 24 0.491 -3.713 5.737 1.00 0.00 H new ATOM 622 N CYS A 40 -7.653 -9.143 -3.659 1.00 0.00 N ATOM 623 CA CYS A 40 -7.386 -7.768 -4.068 1.00 0.00 C ATOM 624 C CYS A 40 -8.116 -6.781 -3.163 1.00 0.00 C ATOM 625 O CYS A 40 -9.281 -6.981 -2.820 1.00 0.00 O ATOM 626 CB CYS A 40 -7.810 -7.556 -5.522 1.00 0.00 C ATOM 627 SG CYS A 40 -9.549 -7.931 -5.846 1.00 0.00 S ATOM 0 HA CYS A 40 -6.314 -7.589 -3.980 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -7.615 -6.520 -5.799 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -7.189 -8.180 -6.165 1.00 0.00 H new ATOM 0 HG CYS A 40 -10.049 -8.577 -4.835 1.00 0.00 H new ATOM 633 N PHE A 41 -7.422 -5.715 -2.778 1.00 0.00 N ATOM 634 CA PHE A 41 -8.003 -4.697 -1.911 1.00 0.00 C ATOM 635 C PHE A 41 -8.157 -3.373 -2.653 1.00 0.00 C ATOM 636 O PHE A 41 -7.342 -3.030 -3.511 1.00 0.00 O ATOM 637 CB PHE A 41 -7.133 -4.499 -0.668 1.00 0.00 C ATOM 638 CG PHE A 41 -5.659 -4.512 -0.959 1.00 0.00 C ATOM 639 CD1 PHE A 41 -5.016 -3.366 -1.398 1.00 0.00 C ATOM 640 CD2 PHE A 41 -4.917 -5.671 -0.795 1.00 0.00 C ATOM 641 CE1 PHE A 41 -3.660 -3.374 -1.666 1.00 0.00 C ATOM 642 CE2 PHE A 41 -3.561 -5.685 -1.061 1.00 0.00 C ATOM 643 CZ PHE A 41 -2.932 -4.536 -1.499 1.00 0.00 C ATOM 0 H PHE A 41 -6.457 -5.534 -3.053 1.00 0.00 H new ATOM 0 HA PHE A 41 -8.992 -5.038 -1.604 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -7.394 -3.550 -0.199 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -7.360 -5.284 0.053 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -5.581 -2.455 -1.532 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -5.404 -6.573 -0.456 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -3.170 -2.473 -2.005 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -2.993 -6.594 -0.926 1.00 0.00 H new ATOM 0 HZ PHE A 41 -1.873 -4.546 -1.711 1.00 0.00 H new ATOM 653 N THR A 42 -9.208 -2.632 -2.318 1.00 0.00 N ATOM 654 CA THR A 42 -9.472 -1.347 -2.953 1.00 0.00 C ATOM 655 C THR A 42 -8.333 -0.365 -2.699 1.00 0.00 C ATOM 656 O THR A 42 -7.757 -0.335 -1.612 1.00 0.00 O ATOM 657 CB THR A 42 -10.789 -0.730 -2.446 1.00 0.00 C ATOM 658 OG1 THR A 42 -10.774 -0.648 -1.017 1.00 0.00 O ATOM 659 CG2 THR A 42 -11.983 -1.556 -2.900 1.00 0.00 C ATOM 0 H THR A 42 -9.891 -2.900 -1.610 1.00 0.00 H new ATOM 0 HA THR A 42 -9.556 -1.534 -4.024 1.00 0.00 H new ATOM 0 HB THR A 42 -10.880 0.272 -2.865 1.00 0.00 H new ATOM 0 HG1 THR A 42 -11.614 -0.253 -0.703 1.00 0.00 H new ATOM 0 HG21 THR A 42 -12.902 -1.101 -2.530 1.00 0.00 H new ATOM 0 HG22 THR A 42 -12.008 -1.591 -3.989 1.00 0.00 H new ATOM 0 HG23 THR A 42 -11.896 -2.569 -2.506 1.00 0.00 H new ATOM 667 N ALA A 43 -8.015 0.438 -3.709 1.00 0.00 N ATOM 668 CA ALA A 43 -6.947 1.423 -3.595 1.00 0.00 C ATOM 669 C ALA A 43 -7.192 2.364 -2.420 1.00 0.00 C ATOM 670 O ALA A 43 -6.294 2.621 -1.619 1.00 0.00 O ATOM 671 CB ALA A 43 -6.816 2.213 -4.888 1.00 0.00 C ATOM 0 H ALA A 43 -8.482 0.426 -4.616 1.00 0.00 H new ATOM 0 HA ALA A 43 -6.014 0.891 -3.412 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -6.014 2.945 -4.788 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -6.586 1.533 -5.708 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -7.754 2.728 -5.096 1.00 0.00 H new ATOM 677 N GLY A 44 -8.415 2.877 -2.325 1.00 0.00 N ATOM 678 CA GLY A 44 -8.756 3.785 -1.245 1.00 0.00 C ATOM 679 C GLY A 44 -8.161 3.359 0.082 1.00 0.00 C ATOM 680 O GLY A 44 -7.245 4.002 0.594 1.00 0.00 O ATOM 0 H GLY A 44 -9.175 2.680 -2.976 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -8.404 4.787 -1.492 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -9.840 3.842 -1.152 1.00 0.00 H new ATOM 684 N GLU A 45 -8.682 2.271 0.640 1.00 0.00 N ATOM 685 CA GLU A 45 -8.197 1.761 1.917 1.00 0.00 C ATOM 686 C GLU A 45 -6.677 1.868 2.004 1.00 0.00 C ATOM 687 O GLU A 45 -6.138 2.452 2.943 1.00 0.00 O ATOM 688 CB GLU A 45 -8.629 0.306 2.108 1.00 0.00 C ATOM 689 CG GLU A 45 -8.836 -0.082 3.563 1.00 0.00 C ATOM 690 CD GLU A 45 -9.575 0.981 4.351 1.00 0.00 C ATOM 691 OE1 GLU A 45 -10.802 1.113 4.161 1.00 0.00 O ATOM 692 OE2 GLU A 45 -8.927 1.682 5.156 1.00 0.00 O ATOM 0 H GLU A 45 -9.439 1.726 0.228 1.00 0.00 H new ATOM 0 HA GLU A 45 -8.632 2.368 2.710 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -9.556 0.136 1.560 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -7.875 -0.348 1.670 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -9.394 -1.017 3.610 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -7.867 -0.265 4.028 1.00 0.00 H new ATOM 699 N ALA A 46 -5.993 1.298 1.017 1.00 0.00 N ATOM 700 CA ALA A 46 -4.536 1.330 0.981 1.00 0.00 C ATOM 701 C ALA A 46 -4.007 2.708 1.364 1.00 0.00 C ATOM 702 O ALA A 46 -3.055 2.826 2.134 1.00 0.00 O ATOM 703 CB ALA A 46 -4.035 0.935 -0.401 1.00 0.00 C ATOM 0 H ALA A 46 -6.424 0.809 0.233 1.00 0.00 H new ATOM 0 HA ALA A 46 -4.163 0.612 1.711 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.945 0.963 -0.415 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -4.375 -0.073 -0.637 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -4.425 1.632 -1.142 1.00 0.00 H new ATOM 709 N VAL A 47 -4.631 3.748 0.820 1.00 0.00 N ATOM 710 CA VAL A 47 -4.223 5.118 1.105 1.00 0.00 C ATOM 711 C VAL A 47 -4.016 5.330 2.601 1.00 0.00 C ATOM 712 O VAL A 47 -3.037 5.947 3.021 1.00 0.00 O ATOM 713 CB VAL A 47 -5.265 6.132 0.594 1.00 0.00 C ATOM 714 CG1 VAL A 47 -4.836 7.553 0.928 1.00 0.00 C ATOM 715 CG2 VAL A 47 -5.477 5.968 -0.903 1.00 0.00 C ATOM 0 H VAL A 47 -5.421 3.668 0.180 1.00 0.00 H new ATOM 0 HA VAL A 47 -3.280 5.282 0.583 1.00 0.00 H new ATOM 0 HB VAL A 47 -6.213 5.937 1.096 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -5.584 8.255 0.559 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -4.740 7.660 2.008 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -3.877 7.764 0.456 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -6.216 6.692 -1.247 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -4.535 6.135 -1.424 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -5.833 4.959 -1.112 1.00 0.00 H new ATOM 725 N ASP A 48 -4.942 4.814 3.400 1.00 0.00 N ATOM 726 CA ASP A 48 -4.861 4.944 4.850 1.00 0.00 C ATOM 727 C ASP A 48 -3.727 4.090 5.409 1.00 0.00 C ATOM 728 O ASP A 48 -2.813 4.601 6.056 1.00 0.00 O ATOM 729 CB ASP A 48 -6.187 4.540 5.495 1.00 0.00 C ATOM 730 CG ASP A 48 -6.303 5.019 6.929 1.00 0.00 C ATOM 731 OD1 ASP A 48 -6.490 6.236 7.135 1.00 0.00 O ATOM 732 OD2 ASP A 48 -6.207 4.176 7.845 1.00 0.00 O ATOM 0 H ASP A 48 -5.759 4.301 3.068 1.00 0.00 H new ATOM 0 HA ASP A 48 -4.656 5.988 5.086 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -7.011 4.949 4.911 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -6.285 3.455 5.468 1.00 0.00 H new ATOM 737 N TRP A 49 -3.794 2.788 5.157 1.00 0.00 N ATOM 738 CA TRP A 49 -2.774 1.863 5.636 1.00 0.00 C ATOM 739 C TRP A 49 -1.376 2.416 5.383 1.00 0.00 C ATOM 740 O TRP A 49 -0.514 2.381 6.263 1.00 0.00 O ATOM 741 CB TRP A 49 -2.929 0.502 4.955 1.00 0.00 C ATOM 742 CG TRP A 49 -1.645 -0.264 4.859 1.00 0.00 C ATOM 743 CD1 TRP A 49 -1.162 -0.921 3.763 1.00 0.00 C ATOM 744 CD2 TRP A 49 -0.680 -0.454 5.900 1.00 0.00 C ATOM 745 NE1 TRP A 49 0.044 -1.508 4.060 1.00 0.00 N ATOM 746 CE2 TRP A 49 0.362 -1.235 5.364 1.00 0.00 C ATOM 747 CE3 TRP A 49 -0.594 -0.037 7.231 1.00 0.00 C ATOM 748 CZ2 TRP A 49 1.474 -1.609 6.116 1.00 0.00 C ATOM 749 CZ3 TRP A 49 0.509 -0.409 7.975 1.00 0.00 C ATOM 750 CH2 TRP A 49 1.532 -1.187 7.416 1.00 0.00 C ATOM 0 H TRP A 49 -4.544 2.349 4.623 1.00 0.00 H new ATOM 0 HA TRP A 49 -2.907 1.740 6.711 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -3.657 -0.092 5.507 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -3.332 0.649 3.953 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -1.656 -0.972 2.804 1.00 0.00 H new ATOM 0 HE1 TRP A 49 0.611 -2.058 3.414 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -1.376 0.565 7.670 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 2.262 -2.211 5.688 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 0.584 -0.095 9.006 1.00 0.00 H new ATOM 0 HH2 TRP A 49 2.383 -1.459 8.023 1.00 0.00 H new ATOM 761 N LEU A 50 -1.155 2.925 4.175 1.00 0.00 N ATOM 762 CA LEU A 50 0.140 3.486 3.806 1.00 0.00 C ATOM 763 C LEU A 50 0.373 4.822 4.503 1.00 0.00 C ATOM 764 O LEU A 50 1.444 5.066 5.059 1.00 0.00 O ATOM 765 CB LEU A 50 0.226 3.667 2.290 1.00 0.00 C ATOM 766 CG LEU A 50 1.554 4.198 1.751 1.00 0.00 C ATOM 767 CD1 LEU A 50 2.676 3.210 2.028 1.00 0.00 C ATOM 768 CD2 LEU A 50 1.449 4.485 0.261 1.00 0.00 C ATOM 0 H LEU A 50 -1.856 2.961 3.435 1.00 0.00 H new ATOM 0 HA LEU A 50 0.915 2.790 4.127 1.00 0.00 H new ATOM 0 HB2 LEU A 50 0.024 2.706 1.818 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.567 4.348 1.980 1.00 0.00 H new ATOM 0 HG LEU A 50 1.785 5.131 2.264 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.614 3.605 1.637 1.00 0.00 H new ATOM 0 HD12 LEU A 50 2.768 3.055 3.103 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.452 2.260 1.543 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.404 4.862 -0.105 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.194 3.567 -0.269 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.674 5.231 0.088 1.00 0.00 H new ATOM 780 N TYR A 51 -0.637 5.684 4.471 1.00 0.00 N ATOM 781 CA TYR A 51 -0.543 6.997 5.100 1.00 0.00 C ATOM 782 C TYR A 51 -0.170 6.869 6.574 1.00 0.00 C ATOM 783 O TYR A 51 0.889 7.331 7.000 1.00 0.00 O ATOM 784 CB TYR A 51 -1.867 7.749 4.960 1.00 0.00 C ATOM 785 CG TYR A 51 -1.935 9.014 5.786 1.00 0.00 C ATOM 786 CD1 TYR A 51 -1.517 10.231 5.264 1.00 0.00 C ATOM 787 CD2 TYR A 51 -2.417 8.991 7.089 1.00 0.00 C ATOM 788 CE1 TYR A 51 -1.576 11.389 6.015 1.00 0.00 C ATOM 789 CE2 TYR A 51 -2.481 10.144 7.847 1.00 0.00 C ATOM 790 CZ TYR A 51 -2.060 11.341 7.306 1.00 0.00 C ATOM 791 OH TYR A 51 -2.121 12.491 8.058 1.00 0.00 O ATOM 0 H TYR A 51 -1.531 5.498 4.016 1.00 0.00 H new ATOM 0 HA TYR A 51 0.241 7.560 4.593 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -2.023 8.001 3.911 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -2.683 7.089 5.254 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -1.139 10.273 4.253 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -2.747 8.056 7.516 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -1.245 12.327 5.594 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -2.859 10.108 8.858 1.00 0.00 H new ATOM 0 HH TYR A 51 -2.487 12.284 8.943 1.00 0.00 H new ATOM 801 N ASP A 52 -1.048 6.239 7.347 1.00 0.00 N ATOM 802 CA ASP A 52 -0.812 6.048 8.773 1.00 0.00 C ATOM 803 C ASP A 52 0.611 5.563 9.028 1.00 0.00 C ATOM 804 O ASP A 52 1.254 5.971 9.997 1.00 0.00 O ATOM 805 CB ASP A 52 -1.816 5.049 9.348 1.00 0.00 C ATOM 806 CG ASP A 52 -1.874 5.093 10.863 1.00 0.00 C ATOM 807 OD1 ASP A 52 -0.826 4.870 11.503 1.00 0.00 O ATOM 808 OD2 ASP A 52 -2.968 5.349 11.408 1.00 0.00 O ATOM 0 H ASP A 52 -1.929 5.852 7.010 1.00 0.00 H new ATOM 0 HA ASP A 52 -0.943 7.009 9.270 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -2.806 5.259 8.943 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -1.547 4.043 9.027 1.00 0.00 H new ATOM 813 N LEU A 53 1.098 4.689 8.154 1.00 0.00 N ATOM 814 CA LEU A 53 2.446 4.146 8.285 1.00 0.00 C ATOM 815 C LEU A 53 3.494 5.226 8.039 1.00 0.00 C ATOM 816 O LEU A 53 4.477 5.332 8.775 1.00 0.00 O ATOM 817 CB LEU A 53 2.649 2.989 7.304 1.00 0.00 C ATOM 818 CG LEU A 53 4.097 2.571 7.050 1.00 0.00 C ATOM 819 CD1 LEU A 53 4.523 1.494 8.035 1.00 0.00 C ATOM 820 CD2 LEU A 53 4.269 2.085 5.618 1.00 0.00 C ATOM 0 H LEU A 53 0.580 4.341 7.347 1.00 0.00 H new ATOM 0 HA LEU A 53 2.565 3.776 9.303 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.102 2.123 7.677 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.199 3.264 6.350 1.00 0.00 H new ATOM 0 HG LEU A 53 4.737 3.441 7.196 1.00 0.00 H new ATOM 0 HD11 LEU A 53 5.557 1.209 7.838 1.00 0.00 H new ATOM 0 HD12 LEU A 53 4.439 1.877 9.052 1.00 0.00 H new ATOM 0 HD13 LEU A 53 3.879 0.622 7.922 1.00 0.00 H new ATOM 0 HD21 LEU A 53 5.306 1.792 5.455 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.618 1.228 5.444 1.00 0.00 H new ATOM 0 HD23 LEU A 53 4.006 2.887 4.928 1.00 0.00 H new ATOM 832 N LEU A 54 3.279 6.027 7.002 1.00 0.00 N ATOM 833 CA LEU A 54 4.204 7.102 6.660 1.00 0.00 C ATOM 834 C LEU A 54 4.232 8.165 7.754 1.00 0.00 C ATOM 835 O LEU A 54 5.267 8.400 8.378 1.00 0.00 O ATOM 836 CB LEU A 54 3.808 7.737 5.326 1.00 0.00 C ATOM 837 CG LEU A 54 3.830 6.811 4.109 1.00 0.00 C ATOM 838 CD1 LEU A 54 2.988 7.389 2.983 1.00 0.00 C ATOM 839 CD2 LEU A 54 5.260 6.577 3.642 1.00 0.00 C ATOM 0 H LEU A 54 2.472 5.953 6.383 1.00 0.00 H new ATOM 0 HA LEU A 54 5.202 6.674 6.569 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.804 8.148 5.426 1.00 0.00 H new ATOM 0 HB3 LEU A 54 4.478 8.575 5.132 1.00 0.00 H new ATOM 0 HG LEU A 54 3.402 5.851 4.399 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.016 6.716 2.126 1.00 0.00 H new ATOM 0 HD12 LEU A 54 1.958 7.504 3.321 1.00 0.00 H new ATOM 0 HD13 LEU A 54 3.386 8.362 2.694 1.00 0.00 H new ATOM 0 HD21 LEU A 54 5.256 5.916 2.775 1.00 0.00 H new ATOM 0 HD22 LEU A 54 5.714 7.530 3.370 1.00 0.00 H new ATOM 0 HD23 LEU A 54 5.835 6.118 4.446 1.00 0.00 H new ATOM 851 N ARG A 55 3.089 8.803 7.981 1.00 0.00 N ATOM 852 CA ARG A 55 2.982 9.840 9.000 1.00 0.00 C ATOM 853 C ARG A 55 3.698 9.420 10.280 1.00 0.00 C ATOM 854 O ARG A 55 4.304 10.245 10.963 1.00 0.00 O ATOM 855 CB ARG A 55 1.512 10.140 9.300 1.00 0.00 C ATOM 856 CG ARG A 55 0.701 8.908 9.664 1.00 0.00 C ATOM 857 CD ARG A 55 -0.425 9.246 10.629 1.00 0.00 C ATOM 858 NE ARG A 55 0.081 9.753 11.902 1.00 0.00 N ATOM 859 CZ ARG A 55 -0.677 10.378 12.797 1.00 0.00 C ATOM 860 NH1 ARG A 55 -1.967 10.571 12.560 1.00 0.00 N ATOM 861 NH2 ARG A 55 -0.144 10.810 13.933 1.00 0.00 N ATOM 0 H ARG A 55 2.224 8.620 7.473 1.00 0.00 H new ATOM 0 HA ARG A 55 3.459 10.742 8.617 1.00 0.00 H new ATOM 0 HB2 ARG A 55 1.456 10.856 10.120 1.00 0.00 H new ATOM 0 HB3 ARG A 55 1.062 10.616 8.429 1.00 0.00 H new ATOM 0 HG2 ARG A 55 0.285 8.465 8.759 1.00 0.00 H new ATOM 0 HG3 ARG A 55 1.355 8.161 10.114 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -1.080 9.991 10.176 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -1.029 8.357 10.807 1.00 0.00 H new ATOM 0 HE ARG A 55 1.070 9.620 12.116 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -2.381 10.239 11.689 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -2.546 11.051 13.249 1.00 0.00 H new ATOM 0 HH21 ARG A 55 0.848 10.662 14.120 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -0.726 11.290 14.620 1.00 0.00 H new ATOM 875 N ASN A 56 3.624 8.132 10.599 1.00 0.00 N ATOM 876 CA ASN A 56 4.264 7.603 11.797 1.00 0.00 C ATOM 877 C ASN A 56 5.783 7.615 11.653 1.00 0.00 C ATOM 878 O ASN A 56 6.505 7.883 12.613 1.00 0.00 O ATOM 879 CB ASN A 56 3.778 6.178 12.074 1.00 0.00 C ATOM 880 CG ASN A 56 2.588 6.145 13.013 1.00 0.00 C ATOM 881 OD1 ASN A 56 2.673 5.619 14.122 1.00 0.00 O ATOM 882 ND2 ASN A 56 1.470 6.709 12.570 1.00 0.00 N ATOM 0 H ASN A 56 3.127 7.435 10.044 1.00 0.00 H new ATOM 0 HA ASN A 56 3.991 8.242 12.637 1.00 0.00 H new ATOM 0 HB2 ASN A 56 3.508 5.700 11.133 1.00 0.00 H new ATOM 0 HB3 ASN A 56 4.593 5.596 12.504 1.00 0.00 H new ATOM 0 HD21 ASN A 56 0.636 6.718 13.157 1.00 0.00 H new ATOM 0 HD22 ASN A 56 1.446 7.134 11.643 1.00 0.00 H new ATOM 889 N ASN A 57 6.260 7.324 10.447 1.00 0.00 N ATOM 890 CA ASN A 57 7.693 7.302 10.177 1.00 0.00 C ATOM 891 C ASN A 57 8.304 8.687 10.368 1.00 0.00 C ATOM 892 O ASN A 57 7.615 9.701 10.258 1.00 0.00 O ATOM 893 CB ASN A 57 7.957 6.808 8.753 1.00 0.00 C ATOM 894 CG ASN A 57 8.139 5.304 8.688 1.00 0.00 C ATOM 895 OD1 ASN A 57 7.284 4.543 9.142 1.00 0.00 O ATOM 896 ND2 ASN A 57 9.258 4.868 8.121 1.00 0.00 N ATOM 0 H ASN A 57 5.675 7.100 9.642 1.00 0.00 H new ATOM 0 HA ASN A 57 8.160 6.617 10.885 1.00 0.00 H new ATOM 0 HB2 ASN A 57 7.126 7.099 8.110 1.00 0.00 H new ATOM 0 HB3 ASN A 57 8.849 7.297 8.361 1.00 0.00 H new ATOM 0 HD21 ASN A 57 9.436 3.866 8.048 1.00 0.00 H new ATOM 0 HD22 ASN A 57 9.939 5.535 7.758 1.00 0.00 H new ATOM 903 N SER A 58 9.601 8.720 10.655 1.00 0.00 N ATOM 904 CA SER A 58 10.305 9.980 10.865 1.00 0.00 C ATOM 905 C SER A 58 10.541 10.698 9.540 1.00 0.00 C ATOM 906 O SER A 58 10.093 11.827 9.345 1.00 0.00 O ATOM 907 CB SER A 58 11.642 9.731 11.568 1.00 0.00 C ATOM 908 OG SER A 58 12.403 10.923 11.652 1.00 0.00 O ATOM 0 H SER A 58 10.186 7.889 10.747 1.00 0.00 H new ATOM 0 HA SER A 58 9.683 10.614 11.496 1.00 0.00 H new ATOM 0 HB2 SER A 58 11.463 9.339 12.569 1.00 0.00 H new ATOM 0 HB3 SER A 58 12.206 8.973 11.025 1.00 0.00 H new ATOM 0 HG SER A 58 13.251 10.738 12.106 1.00 0.00 H new ATOM 914 N ASN A 59 11.247 10.033 8.631 1.00 0.00 N ATOM 915 CA ASN A 59 11.543 10.607 7.323 1.00 0.00 C ATOM 916 C ASN A 59 10.373 11.446 6.820 1.00 0.00 C ATOM 917 O ASN A 59 10.510 12.648 6.590 1.00 0.00 O ATOM 918 CB ASN A 59 11.861 9.499 6.317 1.00 0.00 C ATOM 919 CG ASN A 59 13.274 8.970 6.467 1.00 0.00 C ATOM 920 OD1 ASN A 59 14.191 9.411 5.774 1.00 0.00 O ATOM 921 ND2 ASN A 59 13.456 8.019 7.376 1.00 0.00 N ATOM 0 H ASN A 59 11.625 9.097 8.776 1.00 0.00 H new ATOM 0 HA ASN A 59 12.413 11.255 7.427 1.00 0.00 H new ATOM 0 HB2 ASN A 59 11.154 8.680 6.447 1.00 0.00 H new ATOM 0 HB3 ASN A 59 11.724 9.881 5.305 1.00 0.00 H new ATOM 0 HD21 ASN A 59 14.385 7.624 7.522 1.00 0.00 H new ATOM 0 HD22 ASN A 59 12.667 7.683 7.928 1.00 0.00 H new ATOM 928 N PHE A 60 9.221 10.805 6.651 1.00 0.00 N ATOM 929 CA PHE A 60 8.026 11.491 6.175 1.00 0.00 C ATOM 930 C PHE A 60 7.437 12.379 7.267 1.00 0.00 C ATOM 931 O PHE A 60 7.084 13.532 7.022 1.00 0.00 O ATOM 932 CB PHE A 60 6.981 10.476 5.708 1.00 0.00 C ATOM 933 CG PHE A 60 7.496 9.521 4.669 1.00 0.00 C ATOM 934 CD1 PHE A 60 8.188 8.380 5.041 1.00 0.00 C ATOM 935 CD2 PHE A 60 7.286 9.763 3.321 1.00 0.00 C ATOM 936 CE1 PHE A 60 8.664 7.500 4.088 1.00 0.00 C ATOM 937 CE2 PHE A 60 7.758 8.886 2.363 1.00 0.00 C ATOM 938 CZ PHE A 60 8.447 7.752 2.747 1.00 0.00 C ATOM 0 H PHE A 60 9.090 9.811 6.837 1.00 0.00 H new ATOM 0 HA PHE A 60 8.311 12.122 5.333 1.00 0.00 H new ATOM 0 HB2 PHE A 60 6.628 9.908 6.569 1.00 0.00 H new ATOM 0 HB3 PHE A 60 6.121 11.011 5.304 1.00 0.00 H new ATOM 0 HD1 PHE A 60 8.357 8.176 6.088 1.00 0.00 H new ATOM 0 HD2 PHE A 60 6.747 10.648 3.015 1.00 0.00 H new ATOM 0 HE1 PHE A 60 9.205 6.616 4.391 1.00 0.00 H new ATOM 0 HE2 PHE A 60 7.588 9.087 1.315 1.00 0.00 H new ATOM 0 HZ PHE A 60 8.815 7.064 2.001 1.00 0.00 H new ATOM 948 N GLY A 61 7.333 11.832 8.474 1.00 0.00 N ATOM 949 CA GLY A 61 6.786 12.587 9.586 1.00 0.00 C ATOM 950 C GLY A 61 5.281 12.747 9.494 1.00 0.00 C ATOM 951 O GLY A 61 4.677 12.536 8.442 1.00 0.00 O ATOM 0 H GLY A 61 7.618 10.879 8.702 1.00 0.00 H new ATOM 0 HA2 GLY A 61 7.039 12.086 10.520 1.00 0.00 H new ATOM 0 HA3 GLY A 61 7.252 13.572 9.616 1.00 0.00 H new ATOM 955 N PRO A 62 4.653 13.127 10.616 1.00 0.00 N ATOM 956 CA PRO A 62 3.201 13.322 10.682 1.00 0.00 C ATOM 957 C PRO A 62 2.744 14.546 9.895 1.00 0.00 C ATOM 958 O PRO A 62 1.562 14.885 9.890 1.00 0.00 O ATOM 959 CB PRO A 62 2.938 13.520 12.177 1.00 0.00 C ATOM 960 CG PRO A 62 4.224 14.039 12.723 1.00 0.00 C ATOM 961 CD PRO A 62 5.310 13.396 11.906 1.00 0.00 C ATOM 0 HA PRO A 62 2.657 12.484 10.246 1.00 0.00 H new ATOM 0 HB2 PRO A 62 2.123 14.224 12.346 1.00 0.00 H new ATOM 0 HB3 PRO A 62 2.654 12.583 12.656 1.00 0.00 H new ATOM 0 HG2 PRO A 62 4.270 15.125 12.647 1.00 0.00 H new ATOM 0 HG3 PRO A 62 4.329 13.788 13.779 1.00 0.00 H new ATOM 0 HD2 PRO A 62 6.169 14.056 11.789 1.00 0.00 H new ATOM 0 HD3 PRO A 62 5.673 12.479 12.371 1.00 0.00 H new ATOM 969 N GLU A 63 3.690 15.204 9.231 1.00 0.00 N ATOM 970 CA GLU A 63 3.382 16.390 8.441 1.00 0.00 C ATOM 971 C GLU A 63 3.033 16.011 7.004 1.00 0.00 C ATOM 972 O GLU A 63 3.019 16.860 6.112 1.00 0.00 O ATOM 973 CB GLU A 63 4.568 17.357 8.450 1.00 0.00 C ATOM 974 CG GLU A 63 5.804 16.813 7.754 1.00 0.00 C ATOM 975 CD GLU A 63 6.873 17.869 7.553 1.00 0.00 C ATOM 976 OE1 GLU A 63 7.356 18.423 8.562 1.00 0.00 O ATOM 977 OE2 GLU A 63 7.226 18.142 6.387 1.00 0.00 O ATOM 0 H GLU A 63 4.674 14.936 9.225 1.00 0.00 H new ATOM 0 HA GLU A 63 2.518 16.880 8.890 1.00 0.00 H new ATOM 0 HB2 GLU A 63 4.270 18.288 7.968 1.00 0.00 H new ATOM 0 HB3 GLU A 63 4.820 17.599 9.482 1.00 0.00 H new ATOM 0 HG2 GLU A 63 6.215 15.992 8.341 1.00 0.00 H new ATOM 0 HG3 GLU A 63 5.519 16.401 6.786 1.00 0.00 H new ATOM 984 N VAL A 64 2.751 14.730 6.788 1.00 0.00 N ATOM 985 CA VAL A 64 2.400 14.238 5.461 1.00 0.00 C ATOM 986 C VAL A 64 0.894 14.296 5.234 1.00 0.00 C ATOM 987 O VAL A 64 0.106 14.112 6.163 1.00 0.00 O ATOM 988 CB VAL A 64 2.885 12.790 5.254 1.00 0.00 C ATOM 989 CG1 VAL A 64 2.140 11.840 6.179 1.00 0.00 C ATOM 990 CG2 VAL A 64 2.714 12.375 3.800 1.00 0.00 C ATOM 0 H VAL A 64 2.759 14.014 7.515 1.00 0.00 H new ATOM 0 HA VAL A 64 2.898 14.887 4.740 1.00 0.00 H new ATOM 0 HB VAL A 64 3.946 12.741 5.500 1.00 0.00 H new ATOM 0 HG11 VAL A 64 2.496 10.822 6.019 1.00 0.00 H new ATOM 0 HG12 VAL A 64 2.318 12.127 7.215 1.00 0.00 H new ATOM 0 HG13 VAL A 64 1.072 11.889 5.967 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.061 11.350 3.671 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.661 12.439 3.525 1.00 0.00 H new ATOM 0 HG23 VAL A 64 3.297 13.039 3.161 1.00 0.00 H new ATOM 1000 N THR A 65 0.498 14.552 3.991 1.00 0.00 N ATOM 1001 CA THR A 65 -0.914 14.635 3.640 1.00 0.00 C ATOM 1002 C THR A 65 -1.286 13.581 2.603 1.00 0.00 C ATOM 1003 O THR A 65 -0.422 13.057 1.899 1.00 0.00 O ATOM 1004 CB THR A 65 -1.276 16.028 3.093 1.00 0.00 C ATOM 1005 OG1 THR A 65 -2.698 16.159 2.988 1.00 0.00 O ATOM 1006 CG2 THR A 65 -0.639 16.257 1.730 1.00 0.00 C ATOM 0 H THR A 65 1.136 14.706 3.210 1.00 0.00 H new ATOM 0 HA THR A 65 -1.478 14.455 4.555 1.00 0.00 H new ATOM 0 HB THR A 65 -0.893 16.777 3.786 1.00 0.00 H new ATOM 0 HG1 THR A 65 -2.920 17.048 2.641 1.00 0.00 H new ATOM 0 HG21 THR A 65 -0.909 17.248 1.364 1.00 0.00 H new ATOM 0 HG22 THR A 65 0.445 16.186 1.818 1.00 0.00 H new ATOM 0 HG23 THR A 65 -0.996 15.502 1.030 1.00 0.00 H new ATOM 1014 N ARG A 66 -2.576 13.276 2.512 1.00 0.00 N ATOM 1015 CA ARG A 66 -3.062 12.284 1.560 1.00 0.00 C ATOM 1016 C ARG A 66 -2.363 12.437 0.212 1.00 0.00 C ATOM 1017 O ARG A 66 -1.736 11.501 -0.282 1.00 0.00 O ATOM 1018 CB ARG A 66 -4.575 12.417 1.381 1.00 0.00 C ATOM 1019 CG ARG A 66 -5.258 11.116 0.990 1.00 0.00 C ATOM 1020 CD ARG A 66 -6.748 11.316 0.764 1.00 0.00 C ATOM 1021 NE ARG A 66 -7.371 10.145 0.152 1.00 0.00 N ATOM 1022 CZ ARG A 66 -7.802 9.095 0.842 1.00 0.00 C ATOM 1023 NH1 ARG A 66 -7.679 9.071 2.162 1.00 0.00 N ATOM 1024 NH2 ARG A 66 -8.357 8.068 0.213 1.00 0.00 N ATOM 0 H ARG A 66 -3.304 13.702 3.086 1.00 0.00 H new ATOM 0 HA ARG A 66 -2.836 11.294 1.957 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -5.012 12.782 2.311 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -4.778 13.168 0.617 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -4.801 10.722 0.082 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -5.104 10.373 1.773 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -7.234 11.529 1.716 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -6.904 12.185 0.125 1.00 0.00 H new ATOM 0 HE ARG A 66 -7.481 10.133 -0.862 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -7.253 9.860 2.649 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -8.010 8.264 2.690 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -8.453 8.083 -0.802 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -8.687 7.263 0.744 1.00 0.00 H new ATOM 1038 N GLN A 67 -2.479 13.623 -0.377 1.00 0.00 N ATOM 1039 CA GLN A 67 -1.859 13.898 -1.668 1.00 0.00 C ATOM 1040 C GLN A 67 -0.520 13.180 -1.793 1.00 0.00 C ATOM 1041 O GLN A 67 -0.300 12.416 -2.732 1.00 0.00 O ATOM 1042 CB GLN A 67 -1.664 15.403 -1.854 1.00 0.00 C ATOM 1043 CG GLN A 67 -2.968 16.177 -1.969 1.00 0.00 C ATOM 1044 CD GLN A 67 -2.785 17.536 -2.615 1.00 0.00 C ATOM 1045 OE1 GLN A 67 -1.741 17.822 -3.203 1.00 0.00 O ATOM 1046 NE2 GLN A 67 -3.801 18.383 -2.509 1.00 0.00 N ATOM 0 H GLN A 67 -2.996 14.408 0.019 1.00 0.00 H new ATOM 0 HA GLN A 67 -2.524 13.526 -2.448 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -1.093 15.794 -1.012 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -1.069 15.576 -2.751 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -3.681 15.595 -2.552 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -3.398 16.306 -0.976 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -4.648 18.104 -2.013 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -3.735 19.313 -2.924 1.00 0.00 H new ATOM 1055 N GLN A 68 0.372 13.431 -0.840 1.00 0.00 N ATOM 1056 CA GLN A 68 1.691 12.809 -0.845 1.00 0.00 C ATOM 1057 C GLN A 68 1.575 11.289 -0.868 1.00 0.00 C ATOM 1058 O GLN A 68 2.335 10.607 -1.557 1.00 0.00 O ATOM 1059 CB GLN A 68 2.492 13.253 0.380 1.00 0.00 C ATOM 1060 CG GLN A 68 3.099 14.640 0.240 1.00 0.00 C ATOM 1061 CD GLN A 68 4.079 14.735 -0.912 1.00 0.00 C ATOM 1062 OE1 GLN A 68 4.399 13.734 -1.554 1.00 0.00 O ATOM 1063 NE2 GLN A 68 4.560 15.943 -1.182 1.00 0.00 N ATOM 0 H GLN A 68 0.205 14.060 -0.055 1.00 0.00 H new ATOM 0 HA GLN A 68 2.213 13.129 -1.747 1.00 0.00 H new ATOM 0 HB2 GLN A 68 1.842 13.237 1.255 1.00 0.00 H new ATOM 0 HB3 GLN A 68 3.290 12.533 0.563 1.00 0.00 H new ATOM 0 HG2 GLN A 68 2.301 15.368 0.094 1.00 0.00 H new ATOM 0 HG3 GLN A 68 3.607 14.905 1.167 1.00 0.00 H new ATOM 0 HE21 GLN A 68 4.267 16.745 -0.624 1.00 0.00 H new ATOM 0 HE22 GLN A 68 5.222 16.069 -1.948 1.00 0.00 H new ATOM 1072 N THR A 69 0.619 10.761 -0.109 1.00 0.00 N ATOM 1073 CA THR A 69 0.405 9.321 -0.041 1.00 0.00 C ATOM 1074 C THR A 69 0.072 8.749 -1.414 1.00 0.00 C ATOM 1075 O THR A 69 0.758 7.853 -1.907 1.00 0.00 O ATOM 1076 CB THR A 69 -0.730 8.968 0.939 1.00 0.00 C ATOM 1077 OG1 THR A 69 -0.490 9.585 2.209 1.00 0.00 O ATOM 1078 CG2 THR A 69 -0.842 7.461 1.116 1.00 0.00 C ATOM 0 H THR A 69 -0.019 11.310 0.467 1.00 0.00 H new ATOM 0 HA THR A 69 1.335 8.880 0.317 1.00 0.00 H new ATOM 0 HB THR A 69 -1.667 9.341 0.525 1.00 0.00 H new ATOM 0 HG1 THR A 69 -0.737 10.532 2.164 1.00 0.00 H new ATOM 0 HG21 THR A 69 -1.650 7.235 1.812 1.00 0.00 H new ATOM 0 HG22 THR A 69 -1.053 6.996 0.153 1.00 0.00 H new ATOM 0 HG23 THR A 69 0.096 7.070 1.510 1.00 0.00 H new ATOM 1086 N ILE A 70 -0.984 9.273 -2.028 1.00 0.00 N ATOM 1087 CA ILE A 70 -1.407 8.815 -3.345 1.00 0.00 C ATOM 1088 C ILE A 70 -0.247 8.844 -4.335 1.00 0.00 C ATOM 1089 O ILE A 70 -0.039 7.895 -5.090 1.00 0.00 O ATOM 1090 CB ILE A 70 -2.560 9.674 -3.897 1.00 0.00 C ATOM 1091 CG1 ILE A 70 -3.769 9.604 -2.962 1.00 0.00 C ATOM 1092 CG2 ILE A 70 -2.939 9.215 -5.297 1.00 0.00 C ATOM 1093 CD1 ILE A 70 -4.841 10.621 -3.284 1.00 0.00 C ATOM 0 H ILE A 70 -1.562 10.015 -1.634 1.00 0.00 H new ATOM 0 HA ILE A 70 -1.755 7.789 -3.226 1.00 0.00 H new ATOM 0 HB ILE A 70 -2.227 10.710 -3.953 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -4.201 8.604 -3.013 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -3.434 9.754 -1.936 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -3.755 9.832 -5.674 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -2.077 9.311 -5.957 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -3.257 8.173 -5.265 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -5.667 10.514 -2.581 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -4.425 11.625 -3.204 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -5.204 10.458 -4.299 1.00 0.00 H new ATOM 1105 N GLN A 71 0.506 9.940 -4.324 1.00 0.00 N ATOM 1106 CA GLN A 71 1.645 10.092 -5.221 1.00 0.00 C ATOM 1107 C GLN A 71 2.614 8.923 -5.074 1.00 0.00 C ATOM 1108 O GLN A 71 2.911 8.224 -6.043 1.00 0.00 O ATOM 1109 CB GLN A 71 2.371 11.409 -4.939 1.00 0.00 C ATOM 1110 CG GLN A 71 1.559 12.641 -5.304 1.00 0.00 C ATOM 1111 CD GLN A 71 1.438 12.837 -6.803 1.00 0.00 C ATOM 1112 OE1 GLN A 71 2.397 12.631 -7.547 1.00 0.00 O ATOM 1113 NE2 GLN A 71 0.254 13.235 -7.254 1.00 0.00 N ATOM 0 H GLN A 71 0.348 10.735 -3.704 1.00 0.00 H new ATOM 0 HA GLN A 71 1.270 10.103 -6.244 1.00 0.00 H new ATOM 0 HB2 GLN A 71 2.628 11.454 -3.881 1.00 0.00 H new ATOM 0 HB3 GLN A 71 3.308 11.424 -5.495 1.00 0.00 H new ATOM 0 HG2 GLN A 71 0.562 12.556 -4.871 1.00 0.00 H new ATOM 0 HG3 GLN A 71 2.024 13.522 -4.863 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -0.513 13.394 -6.601 1.00 0.00 H new ATOM 0 HE22 GLN A 71 0.112 13.382 -8.253 1.00 0.00 H new ATOM 1122 N LEU A 72 3.103 8.716 -3.856 1.00 0.00 N ATOM 1123 CA LEU A 72 4.038 7.631 -3.581 1.00 0.00 C ATOM 1124 C LEU A 72 3.476 6.294 -4.054 1.00 0.00 C ATOM 1125 O LEU A 72 4.185 5.488 -4.658 1.00 0.00 O ATOM 1126 CB LEU A 72 4.350 7.566 -2.085 1.00 0.00 C ATOM 1127 CG LEU A 72 5.167 6.360 -1.622 1.00 0.00 C ATOM 1128 CD1 LEU A 72 6.584 6.433 -2.169 1.00 0.00 C ATOM 1129 CD2 LEU A 72 5.184 6.279 -0.102 1.00 0.00 C ATOM 0 H LEU A 72 2.867 9.285 -3.043 1.00 0.00 H new ATOM 0 HA LEU A 72 4.959 7.831 -4.129 1.00 0.00 H new ATOM 0 HB2 LEU A 72 4.888 8.472 -1.807 1.00 0.00 H new ATOM 0 HB3 LEU A 72 3.408 7.573 -1.537 1.00 0.00 H new ATOM 0 HG LEU A 72 4.696 5.456 -2.009 1.00 0.00 H new ATOM 0 HD11 LEU A 72 7.150 5.566 -1.829 1.00 0.00 H new ATOM 0 HD12 LEU A 72 6.553 6.442 -3.259 1.00 0.00 H new ATOM 0 HD13 LEU A 72 7.065 7.344 -1.812 1.00 0.00 H new ATOM 0 HD21 LEU A 72 5.770 5.415 0.210 1.00 0.00 H new ATOM 0 HD22 LEU A 72 5.630 7.186 0.306 1.00 0.00 H new ATOM 0 HD23 LEU A 72 4.164 6.178 0.268 1.00 0.00 H new ATOM 1141 N LEU A 73 2.197 6.065 -3.777 1.00 0.00 N ATOM 1142 CA LEU A 73 1.537 4.826 -4.175 1.00 0.00 C ATOM 1143 C LEU A 73 1.796 4.521 -5.647 1.00 0.00 C ATOM 1144 O LEU A 73 2.065 3.378 -6.016 1.00 0.00 O ATOM 1145 CB LEU A 73 0.032 4.922 -3.919 1.00 0.00 C ATOM 1146 CG LEU A 73 -0.740 3.602 -3.957 1.00 0.00 C ATOM 1147 CD1 LEU A 73 -0.723 2.935 -2.590 1.00 0.00 C ATOM 1148 CD2 LEU A 73 -2.171 3.835 -4.421 1.00 0.00 C ATOM 0 H LEU A 73 1.596 6.721 -3.278 1.00 0.00 H new ATOM 0 HA LEU A 73 1.950 4.014 -3.576 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -0.122 5.382 -2.943 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -0.400 5.594 -4.660 1.00 0.00 H new ATOM 0 HG LEU A 73 -0.252 2.937 -4.669 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -1.277 1.997 -2.636 1.00 0.00 H new ATOM 0 HD12 LEU A 73 0.307 2.734 -2.296 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -1.187 3.595 -1.857 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -2.706 2.885 -4.442 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -2.670 4.517 -3.733 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -2.163 4.269 -5.421 1.00 0.00 H new ATOM 1160 N ARG A 74 1.714 5.551 -6.483 1.00 0.00 N ATOM 1161 CA ARG A 74 1.941 5.393 -7.915 1.00 0.00 C ATOM 1162 C ARG A 74 3.266 4.685 -8.181 1.00 0.00 C ATOM 1163 O ARG A 74 3.325 3.720 -8.943 1.00 0.00 O ATOM 1164 CB ARG A 74 1.931 6.757 -8.608 1.00 0.00 C ATOM 1165 CG ARG A 74 0.584 7.459 -8.550 1.00 0.00 C ATOM 1166 CD ARG A 74 0.695 8.912 -8.986 1.00 0.00 C ATOM 1167 NE ARG A 74 -0.553 9.407 -9.562 1.00 0.00 N ATOM 1168 CZ ARG A 74 -0.661 10.573 -10.189 1.00 0.00 C ATOM 1169 NH1 ARG A 74 0.398 11.359 -10.322 1.00 0.00 N ATOM 1170 NH2 ARG A 74 -1.831 10.954 -10.686 1.00 0.00 N ATOM 0 H ARG A 74 1.492 6.504 -6.194 1.00 0.00 H new ATOM 0 HA ARG A 74 1.135 4.781 -8.320 1.00 0.00 H new ATOM 0 HB2 ARG A 74 2.684 7.395 -8.146 1.00 0.00 H new ATOM 0 HB3 ARG A 74 2.219 6.627 -9.651 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -0.127 6.939 -9.192 1.00 0.00 H new ATOM 0 HG3 ARG A 74 0.191 7.411 -7.534 1.00 0.00 H new ATOM 0 HD2 ARG A 74 0.968 9.528 -8.129 1.00 0.00 H new ATOM 0 HD3 ARG A 74 1.497 9.011 -9.718 1.00 0.00 H new ATOM 0 HE ARG A 74 -1.387 8.826 -9.478 1.00 0.00 H new ATOM 0 HH11 ARG A 74 1.299 11.069 -9.942 1.00 0.00 H new ATOM 0 HH12 ARG A 74 0.312 12.254 -10.804 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -2.648 10.351 -10.587 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -1.913 11.849 -11.167 1.00 0.00 H new ATOM 1184 N LYS A 75 4.328 5.171 -7.547 1.00 0.00 N ATOM 1185 CA LYS A 75 5.653 4.585 -7.713 1.00 0.00 C ATOM 1186 C LYS A 75 5.611 3.075 -7.500 1.00 0.00 C ATOM 1187 O LYS A 75 5.985 2.303 -8.383 1.00 0.00 O ATOM 1188 CB LYS A 75 6.641 5.222 -6.734 1.00 0.00 C ATOM 1189 CG LYS A 75 7.344 6.449 -7.290 1.00 0.00 C ATOM 1190 CD LYS A 75 6.573 7.721 -6.982 1.00 0.00 C ATOM 1191 CE LYS A 75 7.029 8.876 -7.861 1.00 0.00 C ATOM 1192 NZ LYS A 75 8.429 9.282 -7.560 1.00 0.00 N ATOM 0 H LYS A 75 4.297 5.970 -6.913 1.00 0.00 H new ATOM 0 HA LYS A 75 5.984 4.781 -8.733 1.00 0.00 H new ATOM 0 HB2 LYS A 75 6.110 5.500 -5.824 1.00 0.00 H new ATOM 0 HB3 LYS A 75 7.389 4.481 -6.453 1.00 0.00 H new ATOM 0 HG2 LYS A 75 8.346 6.518 -6.867 1.00 0.00 H new ATOM 0 HG3 LYS A 75 7.460 6.345 -8.369 1.00 0.00 H new ATOM 0 HD2 LYS A 75 5.507 7.547 -7.132 1.00 0.00 H new ATOM 0 HD3 LYS A 75 6.709 7.985 -5.933 1.00 0.00 H new ATOM 0 HE2 LYS A 75 6.952 8.587 -8.909 1.00 0.00 H new ATOM 0 HE3 LYS A 75 6.365 9.728 -7.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 8.702 10.071 -8.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 8.498 9.582 -6.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 9.067 8.477 -7.723 1.00 0.00 H new ATOM 1206 N PHE A 76 5.154 2.661 -6.323 1.00 0.00 N ATOM 1207 CA PHE A 76 5.063 1.243 -5.994 1.00 0.00 C ATOM 1208 C PHE A 76 4.552 0.440 -7.187 1.00 0.00 C ATOM 1209 O PHE A 76 5.218 -0.481 -7.661 1.00 0.00 O ATOM 1210 CB PHE A 76 4.141 1.035 -4.792 1.00 0.00 C ATOM 1211 CG PHE A 76 4.733 1.503 -3.493 1.00 0.00 C ATOM 1212 CD1 PHE A 76 6.049 1.211 -3.172 1.00 0.00 C ATOM 1213 CD2 PHE A 76 3.975 2.235 -2.594 1.00 0.00 C ATOM 1214 CE1 PHE A 76 6.597 1.641 -1.978 1.00 0.00 C ATOM 1215 CE2 PHE A 76 4.517 2.667 -1.398 1.00 0.00 C ATOM 1216 CZ PHE A 76 5.830 2.370 -1.090 1.00 0.00 C ATOM 0 H PHE A 76 4.841 3.287 -5.581 1.00 0.00 H new ATOM 0 HA PHE A 76 6.063 0.889 -5.741 1.00 0.00 H new ATOM 0 HB2 PHE A 76 3.205 1.565 -4.967 1.00 0.00 H new ATOM 0 HB3 PHE A 76 3.898 -0.024 -4.710 1.00 0.00 H new ATOM 0 HD1 PHE A 76 6.653 0.641 -3.862 1.00 0.00 H new ATOM 0 HD2 PHE A 76 2.948 2.471 -2.830 1.00 0.00 H new ATOM 0 HE1 PHE A 76 7.624 1.407 -1.740 1.00 0.00 H new ATOM 0 HE2 PHE A 76 3.914 3.236 -0.705 1.00 0.00 H new ATOM 0 HZ PHE A 76 6.256 2.707 -0.157 1.00 0.00 H new ATOM 1226 N LEU A 77 3.365 0.795 -7.666 1.00 0.00 N ATOM 1227 CA LEU A 77 2.763 0.108 -8.804 1.00 0.00 C ATOM 1228 C LEU A 77 3.693 0.136 -10.012 1.00 0.00 C ATOM 1229 O LEU A 77 3.689 -0.780 -10.834 1.00 0.00 O ATOM 1230 CB LEU A 77 1.423 0.753 -9.162 1.00 0.00 C ATOM 1231 CG LEU A 77 0.853 0.396 -10.536 1.00 0.00 C ATOM 1232 CD1 LEU A 77 -0.003 -0.858 -10.449 1.00 0.00 C ATOM 1233 CD2 LEU A 77 0.045 1.558 -11.096 1.00 0.00 C ATOM 0 H LEU A 77 2.800 1.554 -7.285 1.00 0.00 H new ATOM 0 HA LEU A 77 2.596 -0.932 -8.523 1.00 0.00 H new ATOM 0 HB2 LEU A 77 0.693 0.472 -8.403 1.00 0.00 H new ATOM 0 HB3 LEU A 77 1.538 1.836 -9.108 1.00 0.00 H new ATOM 0 HG LEU A 77 1.684 0.198 -11.213 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.400 -1.097 -11.436 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.605 -1.689 -10.092 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.828 -0.688 -9.757 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -0.353 1.287 -12.074 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -0.779 1.788 -10.420 1.00 0.00 H new ATOM 0 HD23 LEU A 77 0.687 2.433 -11.196 1.00 0.00 H new ATOM 1245 N LYS A 78 4.493 1.193 -10.112 1.00 0.00 N ATOM 1246 CA LYS A 78 5.432 1.340 -11.218 1.00 0.00 C ATOM 1247 C LYS A 78 6.618 0.395 -11.054 1.00 0.00 C ATOM 1248 O LYS A 78 7.060 -0.233 -12.014 1.00 0.00 O ATOM 1249 CB LYS A 78 5.927 2.785 -11.305 1.00 0.00 C ATOM 1250 CG LYS A 78 6.427 3.175 -12.685 1.00 0.00 C ATOM 1251 CD LYS A 78 7.518 4.229 -12.606 1.00 0.00 C ATOM 1252 CE LYS A 78 7.068 5.438 -11.801 1.00 0.00 C ATOM 1253 NZ LYS A 78 7.720 6.692 -12.271 1.00 0.00 N ATOM 0 H LYS A 78 4.510 1.960 -9.440 1.00 0.00 H new ATOM 0 HA LYS A 78 4.911 1.084 -12.141 1.00 0.00 H new ATOM 0 HB2 LYS A 78 5.117 3.456 -11.019 1.00 0.00 H new ATOM 0 HB3 LYS A 78 6.730 2.929 -10.583 1.00 0.00 H new ATOM 0 HG2 LYS A 78 6.809 2.292 -13.197 1.00 0.00 H new ATOM 0 HG3 LYS A 78 5.596 3.554 -13.280 1.00 0.00 H new ATOM 0 HD2 LYS A 78 8.409 3.798 -12.150 1.00 0.00 H new ATOM 0 HD3 LYS A 78 7.795 4.543 -13.612 1.00 0.00 H new ATOM 0 HE2 LYS A 78 5.986 5.542 -11.876 1.00 0.00 H new ATOM 0 HE3 LYS A 78 7.301 5.280 -10.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 7.387 7.493 -11.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 8.752 6.603 -12.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 7.477 6.857 -13.269 1.00 0.00 H new ATOM 1267 N ASN A 79 7.126 0.298 -9.829 1.00 0.00 N ATOM 1268 CA ASN A 79 8.261 -0.572 -9.540 1.00 0.00 C ATOM 1269 C ASN A 79 7.819 -2.030 -9.450 1.00 0.00 C ATOM 1270 O ASN A 79 8.576 -2.892 -9.003 1.00 0.00 O ATOM 1271 CB ASN A 79 8.933 -0.149 -8.232 1.00 0.00 C ATOM 1272 CG ASN A 79 9.821 1.067 -8.405 1.00 0.00 C ATOM 1273 OD1 ASN A 79 11.038 0.991 -8.231 1.00 0.00 O ATOM 1274 ND2 ASN A 79 9.216 2.198 -8.750 1.00 0.00 N ATOM 0 H ASN A 79 6.770 0.810 -9.022 1.00 0.00 H new ATOM 0 HA ASN A 79 8.977 -0.478 -10.356 1.00 0.00 H new ATOM 0 HB2 ASN A 79 8.167 0.067 -7.487 1.00 0.00 H new ATOM 0 HB3 ASN A 79 9.527 -0.978 -7.848 1.00 0.00 H new ATOM 0 HD21 ASN A 79 9.762 3.049 -8.881 1.00 0.00 H new ATOM 0 HD22 ASN A 79 8.205 2.215 -8.884 1.00 0.00 H new ATOM 1281 N HIS A 80 6.589 -2.297 -9.878 1.00 0.00 N ATOM 1282 CA HIS A 80 6.047 -3.651 -9.847 1.00 0.00 C ATOM 1283 C HIS A 80 5.848 -4.124 -8.410 1.00 0.00 C ATOM 1284 O HIS A 80 5.992 -5.309 -8.110 1.00 0.00 O ATOM 1285 CB HIS A 80 6.976 -4.613 -10.588 1.00 0.00 C ATOM 1286 CG HIS A 80 6.392 -5.977 -10.786 1.00 0.00 C ATOM 1287 ND1 HIS A 80 7.162 -7.105 -10.977 1.00 0.00 N ATOM 1288 CD2 HIS A 80 5.104 -6.392 -10.821 1.00 0.00 C ATOM 1289 CE1 HIS A 80 6.373 -8.155 -11.122 1.00 0.00 C ATOM 1290 NE2 HIS A 80 5.119 -7.749 -11.031 1.00 0.00 N ATOM 0 H HIS A 80 5.950 -1.595 -10.250 1.00 0.00 H new ATOM 0 HA HIS A 80 5.077 -3.638 -10.345 1.00 0.00 H new ATOM 0 HB2 HIS A 80 7.224 -4.188 -11.561 1.00 0.00 H new ATOM 0 HB3 HIS A 80 7.909 -4.704 -10.032 1.00 0.00 H new ATOM 0 HD2 HIS A 80 4.228 -5.771 -10.705 1.00 0.00 H new ATOM 0 HE1 HIS A 80 6.698 -9.172 -11.287 1.00 0.00 H new ATOM 0 HE2 HIS A 80 4.296 -8.347 -11.105 1.00 0.00 H new ATOM 1298 N VAL A 81 5.516 -3.189 -7.525 1.00 0.00 N ATOM 1299 CA VAL A 81 5.297 -3.510 -6.120 1.00 0.00 C ATOM 1300 C VAL A 81 3.859 -3.956 -5.876 1.00 0.00 C ATOM 1301 O VAL A 81 3.586 -4.724 -4.953 1.00 0.00 O ATOM 1302 CB VAL A 81 5.609 -2.304 -5.213 1.00 0.00 C ATOM 1303 CG1 VAL A 81 5.274 -2.625 -3.764 1.00 0.00 C ATOM 1304 CG2 VAL A 81 7.068 -1.896 -5.355 1.00 0.00 C ATOM 0 H VAL A 81 5.393 -2.203 -7.757 1.00 0.00 H new ATOM 0 HA VAL A 81 5.975 -4.327 -5.873 1.00 0.00 H new ATOM 0 HB VAL A 81 4.988 -1.464 -5.526 1.00 0.00 H new ATOM 0 HG11 VAL A 81 5.501 -1.762 -3.138 1.00 0.00 H new ATOM 0 HG12 VAL A 81 4.214 -2.865 -3.680 1.00 0.00 H new ATOM 0 HG13 VAL A 81 5.867 -3.478 -3.434 1.00 0.00 H new ATOM 0 HG21 VAL A 81 7.272 -1.043 -4.708 1.00 0.00 H new ATOM 0 HG22 VAL A 81 7.709 -2.730 -5.069 1.00 0.00 H new ATOM 0 HG23 VAL A 81 7.270 -1.622 -6.391 1.00 0.00 H new ATOM 1314 N ILE A 82 2.946 -3.471 -6.709 1.00 0.00 N ATOM 1315 CA ILE A 82 1.536 -3.821 -6.585 1.00 0.00 C ATOM 1316 C ILE A 82 0.857 -3.860 -7.949 1.00 0.00 C ATOM 1317 O ILE A 82 0.828 -2.862 -8.668 1.00 0.00 O ATOM 1318 CB ILE A 82 0.786 -2.826 -5.679 1.00 0.00 C ATOM 1319 CG1 ILE A 82 1.128 -1.388 -6.072 1.00 0.00 C ATOM 1320 CG2 ILE A 82 1.129 -3.078 -4.218 1.00 0.00 C ATOM 1321 CD1 ILE A 82 0.159 -0.365 -5.522 1.00 0.00 C ATOM 0 H ILE A 82 3.157 -2.834 -7.478 1.00 0.00 H new ATOM 0 HA ILE A 82 1.496 -4.812 -6.133 1.00 0.00 H new ATOM 0 HB ILE A 82 -0.286 -2.973 -5.811 1.00 0.00 H new ATOM 0 HG12 ILE A 82 2.132 -1.152 -5.719 1.00 0.00 H new ATOM 0 HG13 ILE A 82 1.146 -1.312 -7.159 1.00 0.00 H new ATOM 0 HG21 ILE A 82 0.592 -2.367 -3.590 1.00 0.00 H new ATOM 0 HG22 ILE A 82 0.840 -4.093 -3.946 1.00 0.00 H new ATOM 0 HG23 ILE A 82 2.202 -2.954 -4.070 1.00 0.00 H new ATOM 0 HD11 ILE A 82 0.463 0.632 -5.840 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -0.843 -0.575 -5.896 1.00 0.00 H new ATOM 0 HD13 ILE A 82 0.158 -0.414 -4.433 1.00 0.00 H new ATOM 1333 N GLU A 83 0.310 -5.020 -8.299 1.00 0.00 N ATOM 1334 CA GLU A 83 -0.370 -5.189 -9.578 1.00 0.00 C ATOM 1335 C GLU A 83 -1.882 -5.069 -9.410 1.00 0.00 C ATOM 1336 O GLU A 83 -2.445 -5.527 -8.415 1.00 0.00 O ATOM 1337 CB GLU A 83 -0.020 -6.546 -10.192 1.00 0.00 C ATOM 1338 CG GLU A 83 -0.841 -7.696 -9.635 1.00 0.00 C ATOM 1339 CD GLU A 83 -0.328 -9.051 -10.085 1.00 0.00 C ATOM 1340 OE1 GLU A 83 0.840 -9.127 -10.520 1.00 0.00 O ATOM 1341 OE2 GLU A 83 -1.094 -10.033 -10.002 1.00 0.00 O ATOM 0 H GLU A 83 0.324 -5.856 -7.715 1.00 0.00 H new ATOM 0 HA GLU A 83 -0.032 -4.398 -10.247 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -0.166 -6.496 -11.271 1.00 0.00 H new ATOM 0 HB3 GLU A 83 1.037 -6.750 -10.023 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -0.830 -7.651 -8.546 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -1.879 -7.582 -9.949 1.00 0.00 H new ATOM 1348 N ASP A 84 -2.533 -4.451 -10.389 1.00 0.00 N ATOM 1349 CA ASP A 84 -3.980 -4.271 -10.351 1.00 0.00 C ATOM 1350 C ASP A 84 -4.697 -5.537 -10.808 1.00 0.00 C ATOM 1351 O ASP A 84 -4.111 -6.384 -11.484 1.00 0.00 O ATOM 1352 CB ASP A 84 -4.391 -3.090 -11.231 1.00 0.00 C ATOM 1353 CG ASP A 84 -5.879 -2.807 -11.162 1.00 0.00 C ATOM 1354 OD1 ASP A 84 -6.308 -2.112 -10.217 1.00 0.00 O ATOM 1355 OD2 ASP A 84 -6.615 -3.280 -12.053 1.00 0.00 O ATOM 0 H ASP A 84 -2.082 -4.066 -11.219 1.00 0.00 H new ATOM 0 HA ASP A 84 -4.269 -4.064 -9.321 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -3.840 -2.201 -10.922 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -4.111 -3.296 -12.264 1.00 0.00 H new ATOM 1360 N ILE A 85 -5.966 -5.659 -10.436 1.00 0.00 N ATOM 1361 CA ILE A 85 -6.763 -6.822 -10.808 1.00 0.00 C ATOM 1362 C ILE A 85 -6.468 -7.255 -12.240 1.00 0.00 C ATOM 1363 O ILE A 85 -6.488 -8.444 -12.558 1.00 0.00 O ATOM 1364 CB ILE A 85 -8.271 -6.539 -10.670 1.00 0.00 C ATOM 1365 CG1 ILE A 85 -9.083 -7.765 -11.092 1.00 0.00 C ATOM 1366 CG2 ILE A 85 -8.661 -5.326 -11.502 1.00 0.00 C ATOM 1367 CD1 ILE A 85 -9.256 -8.784 -9.988 1.00 0.00 C ATOM 0 H ILE A 85 -6.465 -4.967 -9.877 1.00 0.00 H new ATOM 0 HA ILE A 85 -6.488 -7.625 -10.124 1.00 0.00 H new ATOM 0 HB ILE A 85 -8.491 -6.324 -9.624 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -10.066 -7.440 -11.433 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -8.593 -8.241 -11.941 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -9.729 -5.139 -11.394 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -8.104 -4.455 -11.158 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -8.430 -5.514 -12.550 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -9.841 -9.626 -10.358 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -8.278 -9.138 -9.663 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -9.774 -8.324 -9.146 1.00 0.00 H new ATOM 1379 N LYS A 86 -6.191 -6.281 -13.101 1.00 0.00 N ATOM 1380 CA LYS A 86 -5.888 -6.560 -14.500 1.00 0.00 C ATOM 1381 C LYS A 86 -4.466 -7.092 -14.653 1.00 0.00 C ATOM 1382 O LYS A 86 -4.239 -8.102 -15.317 1.00 0.00 O ATOM 1383 CB LYS A 86 -6.064 -5.296 -15.343 1.00 0.00 C ATOM 1384 CG LYS A 86 -7.463 -5.136 -15.915 1.00 0.00 C ATOM 1385 CD LYS A 86 -8.365 -4.359 -14.971 1.00 0.00 C ATOM 1386 CE LYS A 86 -9.412 -3.561 -15.733 1.00 0.00 C ATOM 1387 NZ LYS A 86 -8.804 -2.436 -16.497 1.00 0.00 N ATOM 0 H LYS A 86 -6.170 -5.291 -12.854 1.00 0.00 H new ATOM 0 HA LYS A 86 -6.583 -7.323 -14.851 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -5.829 -4.425 -14.731 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -5.345 -5.313 -16.162 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -7.408 -4.621 -16.874 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -7.894 -6.119 -16.105 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -8.859 -5.049 -14.287 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -7.762 -3.684 -14.363 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -9.943 -4.221 -16.419 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -10.150 -3.168 -15.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -9.520 -1.699 -16.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -8.012 -2.036 -15.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -8.455 -2.786 -17.412 1.00 0.00 H new ATOM 1401 N GLY A 87 -3.512 -6.404 -14.032 1.00 0.00 N ATOM 1402 CA GLY A 87 -2.125 -6.823 -14.111 1.00 0.00 C ATOM 1403 C GLY A 87 -1.231 -5.758 -14.713 1.00 0.00 C ATOM 1404 O GLY A 87 -0.309 -6.066 -15.469 1.00 0.00 O ATOM 0 H GLY A 87 -3.675 -5.565 -13.476 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -1.766 -7.072 -13.112 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -2.057 -7.731 -14.710 1.00 0.00 H new ATOM 1408 N ARG A 88 -1.503 -4.501 -14.379 1.00 0.00 N ATOM 1409 CA ARG A 88 -0.717 -3.386 -14.894 1.00 0.00 C ATOM 1410 C ARG A 88 0.265 -2.880 -13.841 1.00 0.00 C ATOM 1411 O ARG A 88 -0.124 -2.201 -12.891 1.00 0.00 O ATOM 1412 CB ARG A 88 -1.638 -2.247 -15.336 1.00 0.00 C ATOM 1413 CG ARG A 88 -2.322 -2.500 -16.670 1.00 0.00 C ATOM 1414 CD ARG A 88 -3.149 -1.301 -17.108 1.00 0.00 C ATOM 1415 NE ARG A 88 -4.289 -1.071 -16.225 1.00 0.00 N ATOM 1416 CZ ARG A 88 -4.886 0.108 -16.087 1.00 0.00 C ATOM 1417 NH1 ARG A 88 -4.453 1.157 -16.772 1.00 0.00 N ATOM 1418 NH2 ARG A 88 -5.918 0.238 -15.264 1.00 0.00 N ATOM 0 H ARG A 88 -2.262 -4.229 -13.754 1.00 0.00 H new ATOM 0 HA ARG A 88 -0.150 -3.741 -15.754 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -2.399 -2.089 -14.572 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -1.057 -1.327 -15.404 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -1.572 -2.722 -17.429 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -2.964 -3.377 -16.590 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -2.518 -0.412 -17.125 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -3.505 -1.459 -18.126 1.00 0.00 H new ATOM 0 HE ARG A 88 -4.647 -1.859 -15.684 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -3.660 1.060 -17.406 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -4.913 2.061 -16.665 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -6.254 -0.568 -14.736 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -6.376 1.144 -15.159 1.00 0.00 H new ATOM 1432 N TRP A 89 1.537 -3.217 -14.017 1.00 0.00 N ATOM 1433 CA TRP A 89 2.575 -2.798 -13.082 1.00 0.00 C ATOM 1434 C TRP A 89 3.534 -1.811 -13.739 1.00 0.00 C ATOM 1435 O TRP A 89 4.642 -1.591 -13.253 1.00 0.00 O ATOM 1436 CB TRP A 89 3.347 -4.013 -12.567 1.00 0.00 C ATOM 1437 CG TRP A 89 3.622 -5.036 -13.627 1.00 0.00 C ATOM 1438 CD1 TRP A 89 2.915 -6.180 -13.866 1.00 0.00 C ATOM 1439 CD2 TRP A 89 4.680 -5.007 -14.591 1.00 0.00 C ATOM 1440 NE1 TRP A 89 3.470 -6.864 -14.920 1.00 0.00 N ATOM 1441 CE2 TRP A 89 4.554 -6.165 -15.383 1.00 0.00 C ATOM 1442 CE3 TRP A 89 5.721 -4.115 -14.864 1.00 0.00 C ATOM 1443 CZ2 TRP A 89 5.429 -6.453 -16.427 1.00 0.00 C ATOM 1444 CZ3 TRP A 89 6.590 -4.402 -15.900 1.00 0.00 C ATOM 1445 CH2 TRP A 89 6.439 -5.562 -16.671 1.00 0.00 C ATOM 0 H TRP A 89 1.875 -3.779 -14.798 1.00 0.00 H new ATOM 0 HA TRP A 89 2.092 -2.301 -12.241 1.00 0.00 H new ATOM 0 HB2 TRP A 89 4.293 -3.679 -12.140 1.00 0.00 H new ATOM 0 HB3 TRP A 89 2.781 -4.479 -11.761 1.00 0.00 H new ATOM 0 HD1 TRP A 89 2.047 -6.500 -13.308 1.00 0.00 H new ATOM 0 HE1 TRP A 89 3.130 -7.749 -15.297 1.00 0.00 H new ATOM 0 HE3 TRP A 89 5.844 -3.218 -14.276 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 5.315 -7.347 -17.023 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 7.399 -3.721 -16.119 1.00 0.00 H new ATOM 0 HH2 TRP A 89 7.134 -5.757 -17.474 1.00 0.00 H new ATOM 1456 N GLY A 90 3.100 -1.220 -14.848 1.00 0.00 N ATOM 1457 CA GLY A 90 3.933 -0.264 -15.554 1.00 0.00 C ATOM 1458 C GLY A 90 3.235 1.063 -15.773 1.00 0.00 C ATOM 1459 O GLY A 90 3.072 1.507 -16.910 1.00 0.00 O ATOM 0 H GLY A 90 2.186 -1.386 -15.270 1.00 0.00 H new ATOM 0 HA2 GLY A 90 4.850 -0.099 -14.989 1.00 0.00 H new ATOM 0 HA3 GLY A 90 4.223 -0.682 -16.518 1.00 0.00 H new ATOM 1463 N SER A 91 2.818 1.698 -14.682 1.00 0.00 N ATOM 1464 CA SER A 91 2.128 2.980 -14.761 1.00 0.00 C ATOM 1465 C SER A 91 2.160 3.698 -13.415 1.00 0.00 C ATOM 1466 O SER A 91 2.346 3.073 -12.371 1.00 0.00 O ATOM 1467 CB SER A 91 0.679 2.777 -15.209 1.00 0.00 C ATOM 1468 OG SER A 91 0.053 1.750 -14.459 1.00 0.00 O ATOM 0 H SER A 91 2.946 1.346 -13.733 1.00 0.00 H new ATOM 0 HA SER A 91 2.645 3.598 -15.495 1.00 0.00 H new ATOM 0 HB2 SER A 91 0.124 3.708 -15.091 1.00 0.00 H new ATOM 0 HB3 SER A 91 0.655 2.524 -16.269 1.00 0.00 H new ATOM 0 HG SER A 91 -0.872 1.641 -14.763 1.00 0.00 H new ATOM 1474 N GLU A 92 1.976 5.014 -13.448 1.00 0.00 N ATOM 1475 CA GLU A 92 1.984 5.817 -12.231 1.00 0.00 C ATOM 1476 C GLU A 92 0.630 6.486 -12.011 1.00 0.00 C ATOM 1477 O GLU A 92 0.517 7.446 -11.250 1.00 0.00 O ATOM 1478 CB GLU A 92 3.084 6.878 -12.301 1.00 0.00 C ATOM 1479 CG GLU A 92 2.919 7.852 -13.456 1.00 0.00 C ATOM 1480 CD GLU A 92 4.118 8.763 -13.627 1.00 0.00 C ATOM 1481 OE1 GLU A 92 4.176 9.803 -12.938 1.00 0.00 O ATOM 1482 OE2 GLU A 92 4.999 8.437 -14.450 1.00 0.00 O ATOM 0 H GLU A 92 1.820 5.546 -14.304 1.00 0.00 H new ATOM 0 HA GLU A 92 2.182 5.153 -11.390 1.00 0.00 H new ATOM 0 HB2 GLU A 92 3.098 7.437 -11.365 1.00 0.00 H new ATOM 0 HB3 GLU A 92 4.050 6.382 -12.391 1.00 0.00 H new ATOM 0 HG2 GLU A 92 2.758 7.293 -14.378 1.00 0.00 H new ATOM 0 HG3 GLU A 92 2.028 8.458 -13.291 1.00 0.00 H new ATOM 1489 N ASN A 93 -0.394 5.972 -12.685 1.00 0.00 N ATOM 1490 CA ASN A 93 -1.740 6.520 -12.565 1.00 0.00 C ATOM 1491 C ASN A 93 -2.582 5.688 -11.602 1.00 0.00 C ATOM 1492 O ASN A 93 -3.060 4.609 -11.951 1.00 0.00 O ATOM 1493 CB ASN A 93 -2.416 6.572 -13.936 1.00 0.00 C ATOM 1494 CG ASN A 93 -2.156 7.879 -14.660 1.00 0.00 C ATOM 1495 OD1 ASN A 93 -1.903 8.909 -14.033 1.00 0.00 O ATOM 1496 ND2 ASN A 93 -2.218 7.844 -15.986 1.00 0.00 N ATOM 0 H ASN A 93 -0.317 5.177 -13.320 1.00 0.00 H new ATOM 0 HA ASN A 93 -1.659 7.532 -12.168 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -2.057 5.744 -14.547 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -3.490 6.435 -13.814 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -2.053 8.693 -16.527 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -2.431 6.968 -16.464 1.00 0.00 H new ATOM 1503 N VAL A 94 -2.759 6.198 -10.387 1.00 0.00 N ATOM 1504 CA VAL A 94 -3.545 5.504 -9.374 1.00 0.00 C ATOM 1505 C VAL A 94 -4.395 6.483 -8.572 1.00 0.00 C ATOM 1506 O VAL A 94 -3.892 7.485 -8.062 1.00 0.00 O ATOM 1507 CB VAL A 94 -2.642 4.714 -8.408 1.00 0.00 C ATOM 1508 CG1 VAL A 94 -1.839 3.666 -9.164 1.00 0.00 C ATOM 1509 CG2 VAL A 94 -1.721 5.657 -7.648 1.00 0.00 C ATOM 0 H VAL A 94 -2.369 7.089 -10.081 1.00 0.00 H new ATOM 0 HA VAL A 94 -4.198 4.808 -9.901 1.00 0.00 H new ATOM 0 HB VAL A 94 -3.275 4.200 -7.685 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -1.207 3.118 -8.465 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -2.520 2.973 -9.658 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -1.214 4.155 -9.911 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -1.090 5.082 -6.970 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -1.093 6.200 -8.354 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -2.319 6.365 -7.074 1.00 0.00 H new ATOM 1519 N ASP A 95 -5.685 6.187 -8.463 1.00 0.00 N ATOM 1520 CA ASP A 95 -6.606 7.040 -7.721 1.00 0.00 C ATOM 1521 C ASP A 95 -7.209 6.289 -6.539 1.00 0.00 C ATOM 1522 O ASP A 95 -7.076 5.069 -6.431 1.00 0.00 O ATOM 1523 CB ASP A 95 -7.718 7.547 -8.641 1.00 0.00 C ATOM 1524 CG ASP A 95 -7.185 8.075 -9.958 1.00 0.00 C ATOM 1525 OD1 ASP A 95 -6.518 9.130 -9.947 1.00 0.00 O ATOM 1526 OD2 ASP A 95 -7.436 7.433 -11.000 1.00 0.00 O ATOM 0 H ASP A 95 -6.117 5.362 -8.879 1.00 0.00 H new ATOM 0 HA ASP A 95 -6.045 7.893 -7.338 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -8.422 6.738 -8.836 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -8.273 8.337 -8.134 1.00 0.00 H new ATOM 1531 N ASP A 96 -7.872 7.024 -5.653 1.00 0.00 N ATOM 1532 CA ASP A 96 -8.496 6.428 -4.478 1.00 0.00 C ATOM 1533 C ASP A 96 -9.829 5.780 -4.839 1.00 0.00 C ATOM 1534 O ASP A 96 -10.614 5.422 -3.963 1.00 0.00 O ATOM 1535 CB ASP A 96 -8.707 7.486 -3.394 1.00 0.00 C ATOM 1536 CG ASP A 96 -9.929 8.345 -3.652 1.00 0.00 C ATOM 1537 OD1 ASP A 96 -11.057 7.840 -3.470 1.00 0.00 O ATOM 1538 OD2 ASP A 96 -9.758 9.521 -4.037 1.00 0.00 O ATOM 0 H ASP A 96 -7.991 8.034 -5.727 1.00 0.00 H new ATOM 0 HA ASP A 96 -7.829 5.655 -4.096 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -8.810 6.995 -2.426 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -7.825 8.123 -3.336 1.00 0.00 H new ATOM 1543 N ASN A 97 -10.077 5.635 -6.137 1.00 0.00 N ATOM 1544 CA ASN A 97 -11.316 5.032 -6.615 1.00 0.00 C ATOM 1545 C ASN A 97 -11.532 3.660 -5.984 1.00 0.00 C ATOM 1546 O ASN A 97 -10.705 3.186 -5.207 1.00 0.00 O ATOM 1547 CB ASN A 97 -11.292 4.907 -8.140 1.00 0.00 C ATOM 1548 CG ASN A 97 -11.825 6.147 -8.830 1.00 0.00 C ATOM 1549 OD1 ASN A 97 -12.606 6.905 -8.255 1.00 0.00 O ATOM 1550 ND2 ASN A 97 -11.404 6.360 -10.072 1.00 0.00 N ATOM 0 H ASN A 97 -9.437 5.927 -6.876 1.00 0.00 H new ATOM 0 HA ASN A 97 -12.142 5.680 -6.324 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -10.270 4.722 -8.471 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -11.886 4.044 -8.440 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -11.729 7.178 -10.587 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -10.756 5.705 -10.510 1.00 0.00 H new ATOM 1557 N ASN A 98 -12.650 3.027 -6.326 1.00 0.00 N ATOM 1558 CA ASN A 98 -12.975 1.709 -5.793 1.00 0.00 C ATOM 1559 C ASN A 98 -12.195 0.619 -6.523 1.00 0.00 C ATOM 1560 O ASN A 98 -12.479 -0.568 -6.371 1.00 0.00 O ATOM 1561 CB ASN A 98 -14.477 1.443 -5.914 1.00 0.00 C ATOM 1562 CG ASN A 98 -14.853 0.848 -7.257 1.00 0.00 C ATOM 1563 OD1 ASN A 98 -15.476 -0.212 -7.326 1.00 0.00 O ATOM 1564 ND2 ASN A 98 -14.474 1.528 -8.333 1.00 0.00 N ATOM 0 H ASN A 98 -13.345 3.405 -6.969 1.00 0.00 H new ATOM 0 HA ASN A 98 -12.692 1.691 -4.740 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -14.788 0.765 -5.119 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -15.021 2.376 -5.768 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -14.698 1.176 -9.264 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -13.959 2.402 -8.229 1.00 0.00 H new ATOM 1571 N GLN A 99 -11.210 1.033 -7.314 1.00 0.00 N ATOM 1572 CA GLN A 99 -10.389 0.093 -8.067 1.00 0.00 C ATOM 1573 C GLN A 99 -9.722 -0.914 -7.135 1.00 0.00 C ATOM 1574 O GLN A 99 -9.191 -0.548 -6.086 1.00 0.00 O ATOM 1575 CB GLN A 99 -9.326 0.842 -8.872 1.00 0.00 C ATOM 1576 CG GLN A 99 -9.901 1.884 -9.817 1.00 0.00 C ATOM 1577 CD GLN A 99 -8.849 2.500 -10.718 1.00 0.00 C ATOM 1578 OE1 GLN A 99 -8.507 3.675 -10.580 1.00 0.00 O ATOM 1579 NE2 GLN A 99 -8.328 1.707 -11.648 1.00 0.00 N ATOM 0 H GLN A 99 -10.962 2.013 -7.450 1.00 0.00 H new ATOM 0 HA GLN A 99 -11.039 -0.449 -8.754 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -8.637 1.330 -8.183 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -8.745 0.122 -9.448 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -10.675 1.424 -10.431 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -10.381 2.671 -9.235 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -8.641 0.739 -11.727 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -7.615 2.066 -12.283 1.00 0.00 H new ATOM 1588 N LEU A 100 -9.753 -2.184 -7.526 1.00 0.00 N ATOM 1589 CA LEU A 100 -9.151 -3.245 -6.725 1.00 0.00 C ATOM 1590 C LEU A 100 -7.677 -3.422 -7.075 1.00 0.00 C ATOM 1591 O LEU A 100 -7.286 -3.310 -8.238 1.00 0.00 O ATOM 1592 CB LEU A 100 -9.900 -4.561 -6.942 1.00 0.00 C ATOM 1593 CG LEU A 100 -11.343 -4.603 -6.438 1.00 0.00 C ATOM 1594 CD1 LEU A 100 -12.125 -5.696 -7.150 1.00 0.00 C ATOM 1595 CD2 LEU A 100 -11.376 -4.815 -4.932 1.00 0.00 C ATOM 0 H LEU A 100 -10.188 -2.504 -8.391 1.00 0.00 H new ATOM 0 HA LEU A 100 -9.224 -2.961 -5.675 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -9.902 -4.783 -8.009 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -9.342 -5.359 -6.452 1.00 0.00 H new ATOM 0 HG LEU A 100 -11.813 -3.645 -6.660 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -13.150 -5.711 -6.779 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -12.131 -5.500 -8.222 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -11.656 -6.661 -6.960 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -12.411 -4.842 -4.591 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -10.888 -5.758 -4.687 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -10.853 -3.997 -4.438 1.00 0.00 H new ATOM 1607 N PHE A 101 -6.863 -3.701 -6.063 1.00 0.00 N ATOM 1608 CA PHE A 101 -5.432 -3.895 -6.263 1.00 0.00 C ATOM 1609 C PHE A 101 -4.957 -5.178 -5.587 1.00 0.00 C ATOM 1610 O PHE A 101 -5.558 -5.640 -4.618 1.00 0.00 O ATOM 1611 CB PHE A 101 -4.652 -2.698 -5.716 1.00 0.00 C ATOM 1612 CG PHE A 101 -4.705 -1.489 -6.606 1.00 0.00 C ATOM 1613 CD1 PHE A 101 -5.723 -0.559 -6.474 1.00 0.00 C ATOM 1614 CD2 PHE A 101 -3.737 -1.284 -7.577 1.00 0.00 C ATOM 1615 CE1 PHE A 101 -5.775 0.554 -7.292 1.00 0.00 C ATOM 1616 CE2 PHE A 101 -3.784 -0.173 -8.397 1.00 0.00 C ATOM 1617 CZ PHE A 101 -4.805 0.747 -8.255 1.00 0.00 C ATOM 0 H PHE A 101 -7.170 -3.798 -5.095 1.00 0.00 H new ATOM 0 HA PHE A 101 -5.249 -3.980 -7.334 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -5.048 -2.435 -4.735 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -3.611 -2.988 -5.572 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -6.485 -0.705 -5.723 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -2.937 -2.001 -7.694 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -6.574 1.272 -7.178 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -3.023 -0.024 -9.149 1.00 0.00 H new ATOM 0 HZ PHE A 101 -4.844 1.615 -8.896 1.00 0.00 H new ATOM 1627 N ARG A 102 -3.874 -5.747 -6.107 1.00 0.00 N ATOM 1628 CA ARG A 102 -3.319 -6.977 -5.555 1.00 0.00 C ATOM 1629 C ARG A 102 -1.794 -6.953 -5.599 1.00 0.00 C ATOM 1630 O ARG A 102 -1.193 -6.023 -6.138 1.00 0.00 O ATOM 1631 CB ARG A 102 -3.843 -8.190 -6.327 1.00 0.00 C ATOM 1632 CG ARG A 102 -3.694 -8.062 -7.835 1.00 0.00 C ATOM 1633 CD ARG A 102 -4.569 -9.068 -8.568 1.00 0.00 C ATOM 1634 NE ARG A 102 -3.903 -10.358 -8.728 1.00 0.00 N ATOM 1635 CZ ARG A 102 -4.552 -11.506 -8.884 1.00 0.00 C ATOM 1636 NH1 ARG A 102 -5.878 -11.524 -8.902 1.00 0.00 N ATOM 1637 NH2 ARG A 102 -3.875 -12.639 -9.024 1.00 0.00 N ATOM 0 H ARG A 102 -3.364 -5.376 -6.909 1.00 0.00 H new ATOM 0 HA ARG A 102 -3.634 -7.053 -4.514 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -3.312 -9.081 -5.992 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -4.896 -8.337 -6.085 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -3.962 -7.052 -8.144 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -2.651 -8.214 -8.113 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -5.500 -9.206 -8.019 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -4.833 -8.672 -9.549 1.00 0.00 H new ATOM 0 HE ARG A 102 -2.883 -10.378 -8.719 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -6.401 -10.655 -8.796 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -6.374 -12.407 -9.022 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -2.855 -12.629 -9.012 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -4.375 -13.520 -9.144 1.00 0.00 H new ATOM 1651 N PHE A 103 -1.174 -7.981 -5.029 1.00 0.00 N ATOM 1652 CA PHE A 103 0.280 -8.078 -5.002 1.00 0.00 C ATOM 1653 C PHE A 103 0.782 -9.044 -6.071 1.00 0.00 C ATOM 1654 O PHE A 103 0.188 -10.092 -6.324 1.00 0.00 O ATOM 1655 CB PHE A 103 0.757 -8.535 -3.622 1.00 0.00 C ATOM 1656 CG PHE A 103 2.112 -8.006 -3.250 1.00 0.00 C ATOM 1657 CD1 PHE A 103 2.327 -6.643 -3.121 1.00 0.00 C ATOM 1658 CD2 PHE A 103 3.172 -8.871 -3.029 1.00 0.00 C ATOM 1659 CE1 PHE A 103 3.573 -6.153 -2.778 1.00 0.00 C ATOM 1660 CE2 PHE A 103 4.420 -8.387 -2.685 1.00 0.00 C ATOM 1661 CZ PHE A 103 4.621 -7.026 -2.561 1.00 0.00 C ATOM 0 H PHE A 103 -1.657 -8.759 -4.579 1.00 0.00 H new ATOM 0 HA PHE A 103 0.688 -7.089 -5.211 1.00 0.00 H new ATOM 0 HB2 PHE A 103 0.033 -8.216 -2.872 1.00 0.00 H new ATOM 0 HB3 PHE A 103 0.782 -9.624 -3.598 1.00 0.00 H new ATOM 0 HD1 PHE A 103 1.511 -5.956 -3.290 1.00 0.00 H new ATOM 0 HD2 PHE A 103 3.021 -9.936 -3.127 1.00 0.00 H new ATOM 0 HE1 PHE A 103 3.727 -5.089 -2.680 1.00 0.00 H new ATOM 0 HE2 PHE A 103 5.237 -9.072 -2.513 1.00 0.00 H new ATOM 0 HZ PHE A 103 5.596 -6.645 -2.295 1.00 0.00 H new ATOM 1671 N PRO A 104 1.901 -8.683 -6.716 1.00 0.00 N ATOM 1672 CA PRO A 104 2.508 -9.503 -7.769 1.00 0.00 C ATOM 1673 C PRO A 104 3.120 -10.788 -7.222 1.00 0.00 C ATOM 1674 O PRO A 104 3.373 -10.905 -6.024 1.00 0.00 O ATOM 1675 CB PRO A 104 3.597 -8.594 -8.343 1.00 0.00 C ATOM 1676 CG PRO A 104 3.937 -7.662 -7.232 1.00 0.00 C ATOM 1677 CD PRO A 104 2.661 -7.446 -6.467 1.00 0.00 C ATOM 0 HA PRO A 104 1.774 -9.829 -8.506 1.00 0.00 H new ATOM 0 HB2 PRO A 104 4.468 -9.169 -8.658 1.00 0.00 H new ATOM 0 HB3 PRO A 104 3.240 -8.052 -9.219 1.00 0.00 H new ATOM 0 HG2 PRO A 104 4.710 -8.085 -6.590 1.00 0.00 H new ATOM 0 HG3 PRO A 104 4.325 -6.719 -7.618 1.00 0.00 H new ATOM 0 HD2 PRO A 104 2.850 -7.298 -5.404 1.00 0.00 H new ATOM 0 HD3 PRO A 104 2.124 -6.566 -6.821 1.00 0.00 H new ATOM 1685 N ALA A 105 3.356 -11.750 -8.109 1.00 0.00 N ATOM 1686 CA ALA A 105 3.941 -13.025 -7.715 1.00 0.00 C ATOM 1687 C ALA A 105 5.451 -12.906 -7.539 1.00 0.00 C ATOM 1688 O ALA A 105 6.184 -12.698 -8.507 1.00 0.00 O ATOM 1689 CB ALA A 105 3.611 -14.097 -8.743 1.00 0.00 C ATOM 0 H ALA A 105 3.151 -11.670 -9.105 1.00 0.00 H new ATOM 0 HA ALA A 105 3.511 -13.312 -6.755 1.00 0.00 H new ATOM 0 HB1 ALA A 105 4.054 -15.044 -8.436 1.00 0.00 H new ATOM 0 HB2 ALA A 105 2.529 -14.210 -8.817 1.00 0.00 H new ATOM 0 HB3 ALA A 105 4.013 -13.806 -9.714 1.00 0.00 H new