USER MOD reduce.3.24.130724 H: found=0, std=0, add=636, rem=0, adj=14 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 Set 1.1: A 57 ASN : amide:sc= -3.22! C(o=-5.6!,f=-8.5!) USER MOD Set 1.2: A 59 ASN : amide:sc= -2.36! C(o=-5.6!,f=-5.9!) USER MOD Single : A 11 THR OG1 : rot 31:sc= 0.194 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN : amide:sc= -0.274 X(o=-0.27,f=-0.065) USER MOD Single : A 18 THR OG1 : rot -98:sc= 0.556 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 40 CYS SG : rot -77:sc= -2.86 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 :FLIP amide:sc= -0.319 F(o=-1.1!,f=-0.32) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.0566 USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 GLN : amide:sc= -2.12 K(o=-2.1,f=-2.7!) USER MOD Single : A 69 THR OG1 : rot 120:sc= 0 USER MOD Single : A 71 GLN : amide:sc= -1.66 X(o=-1.7,f=-1.4) 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= 0.401 X(o=0.4,f=0) USER MOD Single : A 80 HIS :FLIP no HE2:sc= -2.34 F(o=-3.5!,f=-2.3) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 93 ASN : amide:sc= -0.0759 K(o=-0.076,f=-2!) USER MOD Single : A 97 ASN : amide:sc= -0.372 X(o=-0.37,f=-0.61) USER MOD Single : A 98 ASN :FLIP amide:sc= -0.307 F(o=-0.97,f=-0.31) USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 121 N THR A 11 16.849 5.502 -0.160 1.00 0.00 N ATOM 122 CA THR A 11 16.828 4.074 -0.451 1.00 0.00 C ATOM 123 C THR A 11 16.240 3.284 0.713 1.00 0.00 C ATOM 124 O THR A 11 15.397 2.408 0.520 1.00 0.00 O ATOM 125 CB THR A 11 18.241 3.541 -0.755 1.00 0.00 C ATOM 126 OG1 THR A 11 18.870 4.362 -1.746 1.00 0.00 O ATOM 127 CG2 THR A 11 18.184 2.102 -1.244 1.00 0.00 C ATOM 0 HA THR A 11 16.200 3.941 -1.332 1.00 0.00 H new ATOM 0 HB THR A 11 18.823 3.571 0.166 1.00 0.00 H new ATOM 0 HG1 THR A 11 18.545 5.283 -1.662 1.00 0.00 H new ATOM 0 HG21 THR A 11 19.194 1.748 -1.452 1.00 0.00 H new ATOM 0 HG22 THR A 11 17.730 1.475 -0.477 1.00 0.00 H new ATOM 0 HG23 THR A 11 17.587 2.050 -2.154 1.00 0.00 H new ATOM 135 N LYS A 12 16.690 3.599 1.923 1.00 0.00 N ATOM 136 CA LYS A 12 16.208 2.921 3.120 1.00 0.00 C ATOM 137 C LYS A 12 14.716 3.167 3.321 1.00 0.00 C ATOM 138 O LYS A 12 13.941 2.229 3.508 1.00 0.00 O ATOM 139 CB LYS A 12 16.984 3.398 4.350 1.00 0.00 C ATOM 140 CG LYS A 12 16.663 2.617 5.612 1.00 0.00 C ATOM 141 CD LYS A 12 17.306 1.241 5.597 1.00 0.00 C ATOM 142 CE LYS A 12 18.791 1.317 5.919 1.00 0.00 C ATOM 143 NZ LYS A 12 19.465 0.001 5.742 1.00 0.00 N ATOM 0 H LYS A 12 17.389 4.321 2.100 1.00 0.00 H new ATOM 0 HA LYS A 12 16.368 1.851 2.990 1.00 0.00 H new ATOM 0 HB2 LYS A 12 18.052 3.322 4.147 1.00 0.00 H new ATOM 0 HB3 LYS A 12 16.766 4.452 4.520 1.00 0.00 H new ATOM 0 HG2 LYS A 12 17.011 3.172 6.483 1.00 0.00 H new ATOM 0 HG3 LYS A 12 15.583 2.513 5.711 1.00 0.00 H new ATOM 0 HD2 LYS A 12 16.808 0.597 6.322 1.00 0.00 H new ATOM 0 HD3 LYS A 12 17.168 0.784 4.617 1.00 0.00 H new ATOM 0 HE2 LYS A 12 19.265 2.057 5.274 1.00 0.00 H new ATOM 0 HE3 LYS A 12 18.923 1.657 6.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 20.475 0.095 5.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 19.030 -0.700 6.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 19.361 -0.312 4.756 1.00 0.00 H new ATOM 157 N LEU A 13 14.320 4.435 3.280 1.00 0.00 N ATOM 158 CA LEU A 13 12.919 4.805 3.456 1.00 0.00 C ATOM 159 C LEU A 13 12.016 3.953 2.571 1.00 0.00 C ATOM 160 O LEU A 13 11.067 3.332 3.050 1.00 0.00 O ATOM 161 CB LEU A 13 12.718 6.286 3.134 1.00 0.00 C ATOM 162 CG LEU A 13 12.897 7.258 4.301 1.00 0.00 C ATOM 163 CD1 LEU A 13 13.001 8.688 3.794 1.00 0.00 C ATOM 164 CD2 LEU A 13 11.748 7.121 5.289 1.00 0.00 C ATOM 0 H LEU A 13 14.948 5.224 3.127 1.00 0.00 H new ATOM 0 HA LEU A 13 12.649 4.626 4.497 1.00 0.00 H new ATOM 0 HB2 LEU A 13 13.418 6.564 2.346 1.00 0.00 H new ATOM 0 HB3 LEU A 13 11.714 6.416 2.730 1.00 0.00 H new ATOM 0 HG LEU A 13 13.825 7.010 4.817 1.00 0.00 H new ATOM 0 HD11 LEU A 13 13.128 9.365 4.639 1.00 0.00 H new ATOM 0 HD12 LEU A 13 13.858 8.776 3.126 1.00 0.00 H new ATOM 0 HD13 LEU A 13 12.092 8.949 3.253 1.00 0.00 H new ATOM 0 HD21 LEU A 13 11.891 7.820 6.113 1.00 0.00 H new ATOM 0 HD22 LEU A 13 10.807 7.342 4.785 1.00 0.00 H new ATOM 0 HD23 LEU A 13 11.721 6.103 5.677 1.00 0.00 H new ATOM 176 N TRP A 14 12.318 3.926 1.278 1.00 0.00 N ATOM 177 CA TRP A 14 11.534 3.148 0.326 1.00 0.00 C ATOM 178 C TRP A 14 11.504 1.675 0.720 1.00 0.00 C ATOM 179 O TRP A 14 10.465 1.022 0.637 1.00 0.00 O ATOM 180 CB TRP A 14 12.108 3.300 -1.084 1.00 0.00 C ATOM 181 CG TRP A 14 11.572 2.293 -2.056 1.00 0.00 C ATOM 182 CD1 TRP A 14 12.136 1.094 -2.389 1.00 0.00 C ATOM 183 CD2 TRP A 14 10.366 2.397 -2.821 1.00 0.00 C ATOM 184 NE1 TRP A 14 11.353 0.448 -3.315 1.00 0.00 N ATOM 185 CE2 TRP A 14 10.261 1.226 -3.596 1.00 0.00 C ATOM 186 CE3 TRP A 14 9.363 3.365 -2.924 1.00 0.00 C ATOM 187 CZ2 TRP A 14 9.195 1.000 -4.462 1.00 0.00 C ATOM 188 CZ3 TRP A 14 8.306 3.140 -3.785 1.00 0.00 C ATOM 189 CH2 TRP A 14 8.228 1.964 -4.544 1.00 0.00 C ATOM 0 H TRP A 14 13.100 4.434 0.865 1.00 0.00 H new ATOM 0 HA TRP A 14 10.513 3.529 0.338 1.00 0.00 H new ATOM 0 HB2 TRP A 14 11.888 4.302 -1.452 1.00 0.00 H new ATOM 0 HB3 TRP A 14 13.193 3.208 -1.038 1.00 0.00 H new ATOM 0 HD1 TRP A 14 13.061 0.711 -1.984 1.00 0.00 H new ATOM 0 HE1 TRP A 14 11.553 -0.464 -3.727 1.00 0.00 H new ATOM 0 HE3 TRP A 14 9.413 4.273 -2.341 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 9.134 0.095 -5.049 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 7.527 3.883 -3.875 1.00 0.00 H new ATOM 0 HH2 TRP A 14 7.388 1.816 -5.206 1.00 0.00 H new ATOM 200 N ASN A 15 12.651 1.158 1.148 1.00 0.00 N ATOM 201 CA ASN A 15 12.756 -0.238 1.555 1.00 0.00 C ATOM 202 C ASN A 15 11.873 -0.520 2.767 1.00 0.00 C ATOM 203 O ASN A 15 11.276 -1.590 2.877 1.00 0.00 O ATOM 204 CB ASN A 15 14.210 -0.590 1.876 1.00 0.00 C ATOM 205 CG ASN A 15 14.990 -1.005 0.644 1.00 0.00 C ATOM 206 OD1 ASN A 15 14.641 -1.977 -0.027 1.00 0.00 O ATOM 207 ND2 ASN A 15 16.053 -0.269 0.340 1.00 0.00 N ATOM 0 H ASN A 15 13.521 1.685 1.222 1.00 0.00 H new ATOM 0 HA ASN A 15 12.414 -0.858 0.727 1.00 0.00 H new ATOM 0 HB2 ASN A 15 14.696 0.270 2.338 1.00 0.00 H new ATOM 0 HB3 ASN A 15 14.232 -1.399 2.606 1.00 0.00 H new ATOM 0 HD21 ASN A 15 16.617 -0.501 -0.478 1.00 0.00 H new ATOM 0 HD22 ASN A 15 16.306 0.528 0.924 1.00 0.00 H new ATOM 214 N GLU A 16 11.795 0.450 3.673 1.00 0.00 N ATOM 215 CA GLU A 16 10.985 0.306 4.877 1.00 0.00 C ATOM 216 C GLU A 16 9.497 0.355 4.541 1.00 0.00 C ATOM 217 O GLU A 16 8.765 -0.607 4.772 1.00 0.00 O ATOM 218 CB GLU A 16 11.329 1.406 5.884 1.00 0.00 C ATOM 219 CG GLU A 16 11.163 0.978 7.332 1.00 0.00 C ATOM 220 CD GLU A 16 11.533 2.075 8.311 1.00 0.00 C ATOM 221 OE1 GLU A 16 12.516 2.799 8.047 1.00 0.00 O ATOM 222 OE2 GLU A 16 10.839 2.210 9.341 1.00 0.00 O ATOM 0 H GLU A 16 12.282 1.343 3.596 1.00 0.00 H new ATOM 0 HA GLU A 16 11.207 -0.665 5.320 1.00 0.00 H new ATOM 0 HB2 GLU A 16 12.359 1.725 5.724 1.00 0.00 H new ATOM 0 HB3 GLU A 16 10.694 2.272 5.695 1.00 0.00 H new ATOM 0 HG2 GLU A 16 10.129 0.678 7.502 1.00 0.00 H new ATOM 0 HG3 GLU A 16 11.784 0.102 7.522 1.00 0.00 H new ATOM 229 N VAL A 17 9.057 1.484 3.994 1.00 0.00 N ATOM 230 CA VAL A 17 7.658 1.660 3.625 1.00 0.00 C ATOM 231 C VAL A 17 7.160 0.490 2.784 1.00 0.00 C ATOM 232 O VAL A 17 6.000 0.089 2.882 1.00 0.00 O ATOM 233 CB VAL A 17 7.444 2.969 2.843 1.00 0.00 C ATOM 234 CG1 VAL A 17 8.350 3.015 1.622 1.00 0.00 C ATOM 235 CG2 VAL A 17 5.984 3.116 2.439 1.00 0.00 C ATOM 0 H VAL A 17 9.650 2.290 3.797 1.00 0.00 H new ATOM 0 HA VAL A 17 7.089 1.704 4.554 1.00 0.00 H new ATOM 0 HB VAL A 17 7.704 3.806 3.491 1.00 0.00 H new ATOM 0 HG11 VAL A 17 8.185 3.947 1.081 1.00 0.00 H new ATOM 0 HG12 VAL A 17 9.391 2.959 1.939 1.00 0.00 H new ATOM 0 HG13 VAL A 17 8.124 2.172 0.969 1.00 0.00 H new ATOM 0 HG21 VAL A 17 5.851 4.047 1.887 1.00 0.00 H new ATOM 0 HG22 VAL A 17 5.695 2.276 1.808 1.00 0.00 H new ATOM 0 HG23 VAL A 17 5.359 3.131 3.332 1.00 0.00 H new ATOM 245 N THR A 18 8.045 -0.055 1.956 1.00 0.00 N ATOM 246 CA THR A 18 7.697 -1.179 1.096 1.00 0.00 C ATOM 247 C THR A 18 7.621 -2.477 1.892 1.00 0.00 C ATOM 248 O THR A 18 6.617 -3.189 1.845 1.00 0.00 O ATOM 249 CB THR A 18 8.715 -1.350 -0.047 1.00 0.00 C ATOM 250 OG1 THR A 18 10.041 -1.434 0.487 1.00 0.00 O ATOM 251 CG2 THR A 18 8.630 -0.187 -1.025 1.00 0.00 C ATOM 0 H THR A 18 9.009 0.264 1.863 1.00 0.00 H new ATOM 0 HA THR A 18 6.718 -0.959 0.670 1.00 0.00 H new ATOM 0 HB THR A 18 8.479 -2.271 -0.580 1.00 0.00 H new ATOM 0 HG1 THR A 18 10.473 -0.556 0.429 1.00 0.00 H new ATOM 0 HG21 THR A 18 9.358 -0.329 -1.824 1.00 0.00 H new ATOM 0 HG22 THR A 18 7.628 -0.143 -1.451 1.00 0.00 H new ATOM 0 HG23 THR A 18 8.843 0.745 -0.501 1.00 0.00 H new ATOM 259 N THR A 19 8.689 -2.781 2.623 1.00 0.00 N ATOM 260 CA THR A 19 8.744 -3.994 3.429 1.00 0.00 C ATOM 261 C THR A 19 7.599 -4.038 4.435 1.00 0.00 C ATOM 262 O THR A 19 7.032 -5.099 4.698 1.00 0.00 O ATOM 263 CB THR A 19 10.081 -4.107 4.185 1.00 0.00 C ATOM 264 OG1 THR A 19 10.423 -5.484 4.374 1.00 0.00 O ATOM 265 CG2 THR A 19 9.999 -3.410 5.535 1.00 0.00 C ATOM 0 H THR A 19 9.528 -2.203 2.673 1.00 0.00 H new ATOM 0 HA THR A 19 8.653 -4.834 2.741 1.00 0.00 H new ATOM 0 HB THR A 19 10.853 -3.621 3.588 1.00 0.00 H new ATOM 0 HG1 THR A 19 11.275 -5.547 4.854 1.00 0.00 H new ATOM 0 HG21 THR A 19 10.955 -3.503 6.051 1.00 0.00 H new ATOM 0 HG22 THR A 19 9.768 -2.355 5.386 1.00 0.00 H new ATOM 0 HG23 THR A 19 9.216 -3.872 6.136 1.00 0.00 H new ATOM 273 N SER A 20 7.263 -2.880 4.993 1.00 0.00 N ATOM 274 CA SER A 20 6.187 -2.787 5.973 1.00 0.00 C ATOM 275 C SER A 20 4.827 -2.963 5.305 1.00 0.00 C ATOM 276 O SER A 20 4.050 -3.844 5.674 1.00 0.00 O ATOM 277 CB SER A 20 6.242 -1.440 6.696 1.00 0.00 C ATOM 278 OG SER A 20 7.312 -1.403 7.625 1.00 0.00 O ATOM 0 H SER A 20 7.720 -1.993 4.783 1.00 0.00 H new ATOM 0 HA SER A 20 6.321 -3.588 6.700 1.00 0.00 H new ATOM 0 HB2 SER A 20 6.360 -0.638 5.968 1.00 0.00 H new ATOM 0 HB3 SER A 20 5.300 -1.263 7.215 1.00 0.00 H new ATOM 0 HG SER A 20 7.327 -0.531 8.073 1.00 0.00 H new ATOM 284 N PHE A 21 4.546 -2.118 4.318 1.00 0.00 N ATOM 285 CA PHE A 21 3.280 -2.179 3.598 1.00 0.00 C ATOM 286 C PHE A 21 2.917 -3.621 3.255 1.00 0.00 C ATOM 287 O PHE A 21 1.865 -4.119 3.655 1.00 0.00 O ATOM 288 CB PHE A 21 3.356 -1.342 2.319 1.00 0.00 C ATOM 289 CG PHE A 21 2.171 -1.521 1.414 1.00 0.00 C ATOM 290 CD1 PHE A 21 2.095 -2.606 0.555 1.00 0.00 C ATOM 291 CD2 PHE A 21 1.132 -0.604 1.421 1.00 0.00 C ATOM 292 CE1 PHE A 21 1.006 -2.774 -0.279 1.00 0.00 C ATOM 293 CE2 PHE A 21 0.040 -0.767 0.590 1.00 0.00 C ATOM 294 CZ PHE A 21 -0.023 -1.853 -0.262 1.00 0.00 C ATOM 0 H PHE A 21 5.178 -1.384 3.999 1.00 0.00 H new ATOM 0 HA PHE A 21 2.503 -1.772 4.245 1.00 0.00 H new ATOM 0 HB2 PHE A 21 3.442 -0.289 2.588 1.00 0.00 H new ATOM 0 HB3 PHE A 21 4.262 -1.607 1.774 1.00 0.00 H new ATOM 0 HD1 PHE A 21 2.897 -3.329 0.537 1.00 0.00 H new ATOM 0 HD2 PHE A 21 1.176 0.248 2.083 1.00 0.00 H new ATOM 0 HE1 PHE A 21 0.960 -3.624 -0.943 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -0.764 -0.046 0.606 1.00 0.00 H new ATOM 0 HZ PHE A 21 -0.875 -1.981 -0.913 1.00 0.00 H new ATOM 304 N ARG A 22 3.796 -4.284 2.511 1.00 0.00 N ATOM 305 CA ARG A 22 3.569 -5.668 2.112 1.00 0.00 C ATOM 306 C ARG A 22 3.055 -6.495 3.287 1.00 0.00 C ATOM 307 O ARG A 22 2.129 -7.292 3.140 1.00 0.00 O ATOM 308 CB ARG A 22 4.859 -6.283 1.567 1.00 0.00 C ATOM 309 CG ARG A 22 4.627 -7.335 0.495 1.00 0.00 C ATOM 310 CD ARG A 22 5.699 -8.413 0.531 1.00 0.00 C ATOM 311 NE ARG A 22 6.846 -8.072 -0.307 1.00 0.00 N ATOM 312 CZ ARG A 22 7.989 -8.749 -0.300 1.00 0.00 C ATOM 313 NH1 ARG A 22 8.136 -9.798 0.497 1.00 0.00 N ATOM 314 NH2 ARG A 22 8.987 -8.377 -1.091 1.00 0.00 N ATOM 0 H ARG A 22 4.672 -3.885 2.172 1.00 0.00 H new ATOM 0 HA ARG A 22 2.813 -5.674 1.327 1.00 0.00 H new ATOM 0 HB2 ARG A 22 5.484 -5.490 1.157 1.00 0.00 H new ATOM 0 HB3 ARG A 22 5.414 -6.732 2.391 1.00 0.00 H new ATOM 0 HG2 ARG A 22 3.647 -7.790 0.637 1.00 0.00 H new ATOM 0 HG3 ARG A 22 4.619 -6.861 -0.486 1.00 0.00 H new ATOM 0 HD2 ARG A 22 6.032 -8.559 1.559 1.00 0.00 H new ATOM 0 HD3 ARG A 22 5.273 -9.359 0.196 1.00 0.00 H new ATOM 0 HE ARG A 22 6.765 -7.270 -0.932 1.00 0.00 H new ATOM 0 HH11 ARG A 22 7.371 -10.087 1.106 1.00 0.00 H new ATOM 0 HH12 ARG A 22 9.014 -10.316 0.501 1.00 0.00 H new ATOM 0 HH21 ARG A 22 8.877 -7.570 -1.705 1.00 0.00 H new ATOM 0 HH22 ARG A 22 9.864 -8.898 -1.085 1.00 0.00 H new ATOM 328 N ALA A 23 3.664 -6.300 4.452 1.00 0.00 N ATOM 329 CA ALA A 23 3.268 -7.027 5.652 1.00 0.00 C ATOM 330 C ALA A 23 1.866 -6.628 6.097 1.00 0.00 C ATOM 331 O ALA A 23 1.121 -7.442 6.641 1.00 0.00 O ATOM 332 CB ALA A 23 4.269 -6.782 6.771 1.00 0.00 C ATOM 0 H ALA A 23 4.433 -5.645 4.590 1.00 0.00 H new ATOM 0 HA ALA A 23 3.257 -8.091 5.416 1.00 0.00 H new ATOM 0 HB1 ALA A 23 3.961 -7.331 7.661 1.00 0.00 H new ATOM 0 HB2 ALA A 23 5.256 -7.123 6.458 1.00 0.00 H new ATOM 0 HB3 ALA A 23 4.308 -5.716 6.997 1.00 0.00 H new ATOM 338 N GLY A 24 1.511 -5.368 5.864 1.00 0.00 N ATOM 339 CA GLY A 24 0.199 -4.883 6.248 1.00 0.00 C ATOM 340 C GLY A 24 -0.871 -5.950 6.132 1.00 0.00 C ATOM 341 O GLY A 24 -1.750 -6.053 6.987 1.00 0.00 O ATOM 0 H GLY A 24 2.110 -4.674 5.416 1.00 0.00 H new ATOM 0 HA2 GLY A 24 0.236 -4.520 7.275 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -0.069 -4.034 5.619 1.00 0.00 H new ATOM 622 N CYS A 40 -8.445 -8.836 -2.897 1.00 0.00 N ATOM 623 CA CYS A 40 -8.031 -7.564 -3.479 1.00 0.00 C ATOM 624 C CYS A 40 -8.364 -6.405 -2.545 1.00 0.00 C ATOM 625 O CYS A 40 -9.307 -6.480 -1.757 1.00 0.00 O ATOM 626 CB CYS A 40 -8.708 -7.354 -4.833 1.00 0.00 C ATOM 627 SG CYS A 40 -7.812 -8.077 -6.227 1.00 0.00 S ATOM 0 HA CYS A 40 -6.951 -7.593 -3.622 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -9.709 -7.783 -4.797 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -8.826 -6.284 -5.006 1.00 0.00 H new ATOM 0 HG CYS A 40 -6.801 -7.319 -6.533 1.00 0.00 H new ATOM 633 N PHE A 41 -7.582 -5.334 -2.637 1.00 0.00 N ATOM 634 CA PHE A 41 -7.792 -4.160 -1.798 1.00 0.00 C ATOM 635 C PHE A 41 -7.941 -2.903 -2.650 1.00 0.00 C ATOM 636 O PHE A 41 -7.130 -2.641 -3.539 1.00 0.00 O ATOM 637 CB PHE A 41 -6.629 -3.991 -0.819 1.00 0.00 C ATOM 638 CG PHE A 41 -5.319 -3.692 -1.490 1.00 0.00 C ATOM 639 CD1 PHE A 41 -4.660 -4.669 -2.219 1.00 0.00 C ATOM 640 CD2 PHE A 41 -4.747 -2.434 -1.393 1.00 0.00 C ATOM 641 CE1 PHE A 41 -3.454 -4.396 -2.837 1.00 0.00 C ATOM 642 CE2 PHE A 41 -3.541 -2.155 -2.009 1.00 0.00 C ATOM 643 CZ PHE A 41 -2.895 -3.138 -2.733 1.00 0.00 C ATOM 0 H PHE A 41 -6.797 -5.255 -3.284 1.00 0.00 H new ATOM 0 HA PHE A 41 -8.713 -4.308 -1.234 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -6.864 -3.185 -0.124 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -6.526 -4.902 -0.229 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -5.093 -5.654 -2.305 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -5.249 -1.662 -0.829 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -2.949 -5.167 -3.401 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -3.105 -1.171 -1.924 1.00 0.00 H new ATOM 0 HZ PHE A 41 -1.954 -2.923 -3.217 1.00 0.00 H new ATOM 653 N THR A 42 -8.985 -2.127 -2.373 1.00 0.00 N ATOM 654 CA THR A 42 -9.242 -0.898 -3.114 1.00 0.00 C ATOM 655 C THR A 42 -8.209 0.172 -2.780 1.00 0.00 C ATOM 656 O THR A 42 -7.850 0.360 -1.618 1.00 0.00 O ATOM 657 CB THR A 42 -10.649 -0.347 -2.816 1.00 0.00 C ATOM 658 OG1 THR A 42 -10.764 -0.020 -1.427 1.00 0.00 O ATOM 659 CG2 THR A 42 -11.719 -1.361 -3.193 1.00 0.00 C ATOM 0 H THR A 42 -9.666 -2.328 -1.641 1.00 0.00 H new ATOM 0 HA THR A 42 -9.173 -1.147 -4.173 1.00 0.00 H new ATOM 0 HB THR A 42 -10.796 0.552 -3.414 1.00 0.00 H new ATOM 0 HG1 THR A 42 -11.661 0.331 -1.247 1.00 0.00 H new ATOM 0 HG21 THR A 42 -12.704 -0.949 -2.973 1.00 0.00 H new ATOM 0 HG22 THR A 42 -11.649 -1.586 -4.257 1.00 0.00 H new ATOM 0 HG23 THR A 42 -11.572 -2.276 -2.619 1.00 0.00 H new ATOM 667 N ALA A 43 -7.734 0.870 -3.807 1.00 0.00 N ATOM 668 CA ALA A 43 -6.744 1.923 -3.622 1.00 0.00 C ATOM 669 C ALA A 43 -7.040 2.741 -2.369 1.00 0.00 C ATOM 670 O ALA A 43 -6.153 2.987 -1.553 1.00 0.00 O ATOM 671 CB ALA A 43 -6.699 2.826 -4.845 1.00 0.00 C ATOM 0 H ALA A 43 -8.019 0.725 -4.775 1.00 0.00 H new ATOM 0 HA ALA A 43 -5.769 1.452 -3.495 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -5.955 3.608 -4.693 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -6.432 2.237 -5.722 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -7.678 3.281 -4.998 1.00 0.00 H new ATOM 677 N GLY A 44 -8.293 3.161 -2.224 1.00 0.00 N ATOM 678 CA GLY A 44 -8.683 3.948 -1.069 1.00 0.00 C ATOM 679 C GLY A 44 -8.158 3.370 0.230 1.00 0.00 C ATOM 680 O GLY A 44 -7.389 4.018 0.939 1.00 0.00 O ATOM 0 H GLY A 44 -9.045 2.970 -2.886 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -8.313 4.967 -1.186 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -9.770 4.007 -1.024 1.00 0.00 H new ATOM 684 N GLU A 45 -8.575 2.147 0.544 1.00 0.00 N ATOM 685 CA GLU A 45 -8.143 1.484 1.768 1.00 0.00 C ATOM 686 C GLU A 45 -6.630 1.582 1.935 1.00 0.00 C ATOM 687 O GLU A 45 -6.132 1.884 3.020 1.00 0.00 O ATOM 688 CB GLU A 45 -8.572 0.015 1.758 1.00 0.00 C ATOM 689 CG GLU A 45 -9.967 -0.216 2.313 1.00 0.00 C ATOM 690 CD GLU A 45 -9.966 -0.468 3.808 1.00 0.00 C ATOM 691 OE1 GLU A 45 -9.495 0.414 4.558 1.00 0.00 O ATOM 692 OE2 GLU A 45 -10.435 -1.546 4.229 1.00 0.00 O ATOM 0 H GLU A 45 -9.211 1.596 -0.032 1.00 0.00 H new ATOM 0 HA GLU A 45 -8.618 1.988 2.610 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -8.530 -0.360 0.735 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -7.858 -0.567 2.340 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -10.589 0.652 2.095 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -10.420 -1.068 1.805 1.00 0.00 H new ATOM 699 N ALA A 46 -5.903 1.324 0.853 1.00 0.00 N ATOM 700 CA ALA A 46 -4.447 1.385 0.878 1.00 0.00 C ATOM 701 C ALA A 46 -3.962 2.766 1.304 1.00 0.00 C ATOM 702 O ALA A 46 -3.096 2.892 2.170 1.00 0.00 O ATOM 703 CB ALA A 46 -3.880 1.022 -0.487 1.00 0.00 C ATOM 0 H ALA A 46 -6.299 1.071 -0.052 1.00 0.00 H new ATOM 0 HA ALA A 46 -4.091 0.662 1.612 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.792 1.072 -0.454 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -4.189 0.011 -0.752 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -4.253 1.723 -1.234 1.00 0.00 H new ATOM 709 N VAL A 47 -4.525 3.801 0.689 1.00 0.00 N ATOM 710 CA VAL A 47 -4.150 5.175 1.005 1.00 0.00 C ATOM 711 C VAL A 47 -3.957 5.360 2.506 1.00 0.00 C ATOM 712 O VAL A 47 -2.986 5.976 2.946 1.00 0.00 O ATOM 713 CB VAL A 47 -5.211 6.175 0.507 1.00 0.00 C ATOM 714 CG1 VAL A 47 -4.834 7.594 0.903 1.00 0.00 C ATOM 715 CG2 VAL A 47 -5.384 6.061 -1.000 1.00 0.00 C ATOM 0 H VAL A 47 -5.242 3.715 -0.031 1.00 0.00 H new ATOM 0 HA VAL A 47 -3.208 5.372 0.494 1.00 0.00 H new ATOM 0 HB VAL A 47 -6.164 5.933 0.978 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -5.595 8.287 0.543 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -4.765 7.663 1.989 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -3.871 7.851 0.462 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -6.137 6.774 -1.335 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -4.436 6.276 -1.492 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -5.703 5.050 -1.254 1.00 0.00 H new ATOM 725 N ASP A 48 -4.888 4.823 3.287 1.00 0.00 N ATOM 726 CA ASP A 48 -4.820 4.927 4.740 1.00 0.00 C ATOM 727 C ASP A 48 -3.706 4.046 5.297 1.00 0.00 C ATOM 728 O ASP A 48 -2.767 4.537 5.924 1.00 0.00 O ATOM 729 CB ASP A 48 -6.159 4.533 5.364 1.00 0.00 C ATOM 730 CG ASP A 48 -6.323 5.071 6.772 1.00 0.00 C ATOM 731 OD1 ASP A 48 -6.536 6.293 6.919 1.00 0.00 O ATOM 732 OD2 ASP A 48 -6.239 4.271 7.726 1.00 0.00 O ATOM 0 H ASP A 48 -5.699 4.311 2.938 1.00 0.00 H new ATOM 0 HA ASP A 48 -4.600 5.964 4.995 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -6.971 4.905 4.739 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -6.243 3.446 5.381 1.00 0.00 H new ATOM 737 N TRP A 49 -3.817 2.743 5.064 1.00 0.00 N ATOM 738 CA TRP A 49 -2.819 1.793 5.543 1.00 0.00 C ATOM 739 C TRP A 49 -1.408 2.316 5.298 1.00 0.00 C ATOM 740 O TRP A 49 -0.618 2.460 6.233 1.00 0.00 O ATOM 741 CB TRP A 49 -3.002 0.440 4.854 1.00 0.00 C ATOM 742 CG TRP A 49 -1.767 -0.410 4.879 1.00 0.00 C ATOM 743 CD1 TRP A 49 -1.304 -1.213 3.875 1.00 0.00 C ATOM 744 CD2 TRP A 49 -0.840 -0.544 5.962 1.00 0.00 C ATOM 745 NE1 TRP A 49 -0.145 -1.837 4.269 1.00 0.00 N ATOM 746 CE2 TRP A 49 0.161 -1.442 5.545 1.00 0.00 C ATOM 747 CE3 TRP A 49 -0.757 0.010 7.242 1.00 0.00 C ATOM 748 CZ2 TRP A 49 1.229 -1.799 6.364 1.00 0.00 C ATOM 749 CZ3 TRP A 49 0.303 -0.345 8.054 1.00 0.00 C ATOM 750 CH2 TRP A 49 1.285 -1.242 7.612 1.00 0.00 C ATOM 0 H TRP A 49 -4.588 2.320 4.547 1.00 0.00 H new ATOM 0 HA TRP A 49 -2.958 1.668 6.617 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -3.816 -0.099 5.338 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -3.300 0.605 3.819 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -1.779 -1.339 2.913 1.00 0.00 H new ATOM 0 HE1 TRP A 49 0.399 -2.488 3.704 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -1.508 0.703 7.590 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 1.986 -2.491 6.026 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 0.376 0.076 9.046 1.00 0.00 H new ATOM 0 HH2 TRP A 49 2.102 -1.499 8.270 1.00 0.00 H new ATOM 761 N LEU A 50 -1.097 2.600 4.039 1.00 0.00 N ATOM 762 CA LEU A 50 0.221 3.107 3.672 1.00 0.00 C ATOM 763 C LEU A 50 0.490 4.453 4.337 1.00 0.00 C ATOM 764 O LEU A 50 1.576 4.688 4.869 1.00 0.00 O ATOM 765 CB LEU A 50 0.330 3.246 2.152 1.00 0.00 C ATOM 766 CG LEU A 50 1.614 3.890 1.628 1.00 0.00 C ATOM 767 CD1 LEU A 50 2.822 3.035 1.978 1.00 0.00 C ATOM 768 CD2 LEU A 50 1.528 4.105 0.124 1.00 0.00 C ATOM 0 H LEU A 50 -1.739 2.488 3.254 1.00 0.00 H new ATOM 0 HA LEU A 50 0.968 2.394 4.020 1.00 0.00 H new ATOM 0 HB2 LEU A 50 0.237 2.254 1.709 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.518 3.833 1.799 1.00 0.00 H new ATOM 0 HG LEU A 50 1.732 4.862 2.107 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.726 3.509 1.597 1.00 0.00 H new ATOM 0 HD12 LEU A 50 2.894 2.933 3.061 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.712 2.049 1.527 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.451 4.564 -0.231 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.385 3.146 -0.373 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.686 4.760 -0.102 1.00 0.00 H new ATOM 780 N TYR A 51 -0.505 5.332 4.306 1.00 0.00 N ATOM 781 CA TYR A 51 -0.375 6.655 4.906 1.00 0.00 C ATOM 782 C TYR A 51 0.066 6.551 6.363 1.00 0.00 C ATOM 783 O TYR A 51 1.173 6.957 6.719 1.00 0.00 O ATOM 784 CB TYR A 51 -1.702 7.411 4.816 1.00 0.00 C ATOM 785 CG TYR A 51 -1.820 8.547 5.807 1.00 0.00 C ATOM 786 CD1 TYR A 51 -1.276 9.795 5.531 1.00 0.00 C ATOM 787 CD2 TYR A 51 -2.475 8.371 7.020 1.00 0.00 C ATOM 788 CE1 TYR A 51 -1.380 10.836 6.434 1.00 0.00 C ATOM 789 CE2 TYR A 51 -2.586 9.406 7.928 1.00 0.00 C ATOM 790 CZ TYR A 51 -2.037 10.637 7.631 1.00 0.00 C ATOM 791 OH TYR A 51 -2.144 11.670 8.533 1.00 0.00 O ATOM 0 H TYR A 51 -1.410 5.153 3.872 1.00 0.00 H new ATOM 0 HA TYR A 51 0.387 7.204 4.353 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -1.817 7.807 3.807 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -2.521 6.711 4.979 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -0.763 9.955 4.594 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -2.904 7.409 7.257 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -0.950 11.800 6.204 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -3.100 9.253 8.866 1.00 0.00 H new ATOM 0 HH TYR A 51 -2.636 11.364 9.323 1.00 0.00 H new ATOM 801 N ASP A 52 -0.808 6.005 7.201 1.00 0.00 N ATOM 802 CA ASP A 52 -0.510 5.845 8.620 1.00 0.00 C ATOM 803 C ASP A 52 0.922 5.360 8.823 1.00 0.00 C ATOM 804 O ASP A 52 1.633 5.842 9.707 1.00 0.00 O ATOM 805 CB ASP A 52 -1.490 4.862 9.261 1.00 0.00 C ATOM 806 CG ASP A 52 -1.605 5.054 10.761 1.00 0.00 C ATOM 807 OD1 ASP A 52 -1.313 6.170 11.240 1.00 0.00 O ATOM 808 OD2 ASP A 52 -1.987 4.089 11.455 1.00 0.00 O ATOM 0 H ASP A 52 -1.729 5.666 6.923 1.00 0.00 H new ATOM 0 HA ASP A 52 -0.617 6.818 9.100 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -2.473 4.984 8.806 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -1.166 3.842 9.052 1.00 0.00 H new ATOM 813 N LEU A 53 1.340 4.405 8.000 1.00 0.00 N ATOM 814 CA LEU A 53 2.688 3.853 8.090 1.00 0.00 C ATOM 815 C LEU A 53 3.733 4.912 7.751 1.00 0.00 C ATOM 816 O LEU A 53 4.802 4.961 8.361 1.00 0.00 O ATOM 817 CB LEU A 53 2.834 2.656 7.149 1.00 0.00 C ATOM 818 CG LEU A 53 4.218 2.008 7.098 1.00 0.00 C ATOM 819 CD1 LEU A 53 4.409 1.065 8.276 1.00 0.00 C ATOM 820 CD2 LEU A 53 4.411 1.267 5.783 1.00 0.00 C ATOM 0 H LEU A 53 0.765 3.997 7.263 1.00 0.00 H new ATOM 0 HA LEU A 53 2.852 3.523 9.116 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.110 1.897 7.444 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.567 2.976 6.142 1.00 0.00 H new ATOM 0 HG LEU A 53 4.970 2.795 7.163 1.00 0.00 H new ATOM 0 HD11 LEU A 53 5.399 0.613 8.223 1.00 0.00 H new ATOM 0 HD12 LEU A 53 4.314 1.623 9.208 1.00 0.00 H new ATOM 0 HD13 LEU A 53 3.651 0.283 8.242 1.00 0.00 H new ATOM 0 HD21 LEU A 53 5.401 0.812 5.764 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.653 0.490 5.689 1.00 0.00 H new ATOM 0 HD23 LEU A 53 4.318 1.968 4.953 1.00 0.00 H new ATOM 832 N LEU A 54 3.416 5.757 6.777 1.00 0.00 N ATOM 833 CA LEU A 54 4.327 6.817 6.358 1.00 0.00 C ATOM 834 C LEU A 54 4.504 7.852 7.465 1.00 0.00 C ATOM 835 O LEU A 54 5.613 8.067 7.955 1.00 0.00 O ATOM 836 CB LEU A 54 3.803 7.495 5.090 1.00 0.00 C ATOM 837 CG LEU A 54 3.870 6.664 3.809 1.00 0.00 C ATOM 838 CD1 LEU A 54 3.130 7.364 2.679 1.00 0.00 C ATOM 839 CD2 LEU A 54 5.317 6.401 3.418 1.00 0.00 C ATOM 0 H LEU A 54 2.536 5.729 6.262 1.00 0.00 H new ATOM 0 HA LEU A 54 5.297 6.367 6.148 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.765 7.783 5.258 1.00 0.00 H new ATOM 0 HB3 LEU A 54 4.368 8.414 4.933 1.00 0.00 H new ATOM 0 HG LEU A 54 3.385 5.706 3.995 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.189 6.758 1.775 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.085 7.500 2.958 1.00 0.00 H new ATOM 0 HD13 LEU A 54 3.586 8.337 2.493 1.00 0.00 H new ATOM 0 HD21 LEU A 54 5.345 5.808 2.504 1.00 0.00 H new ATOM 0 HD22 LEU A 54 5.827 7.350 3.251 1.00 0.00 H new ATOM 0 HD23 LEU A 54 5.817 5.857 4.219 1.00 0.00 H new ATOM 851 N ARG A 55 3.405 8.488 7.856 1.00 0.00 N ATOM 852 CA ARG A 55 3.439 9.498 8.906 1.00 0.00 C ATOM 853 C ARG A 55 4.165 8.975 10.141 1.00 0.00 C ATOM 854 O ARG A 55 4.878 9.717 10.815 1.00 0.00 O ATOM 855 CB ARG A 55 2.018 9.925 9.279 1.00 0.00 C ATOM 856 CG ARG A 55 1.171 8.796 9.843 1.00 0.00 C ATOM 857 CD ARG A 55 -0.049 9.328 10.578 1.00 0.00 C ATOM 858 NE ARG A 55 0.229 9.579 11.990 1.00 0.00 N ATOM 859 CZ ARG A 55 -0.712 9.626 12.927 1.00 0.00 C ATOM 860 NH1 ARG A 55 -1.984 9.440 12.603 1.00 0.00 N ATOM 861 NH2 ARG A 55 -0.380 9.858 14.190 1.00 0.00 N ATOM 0 H ARG A 55 2.479 8.321 7.461 1.00 0.00 H new ATOM 0 HA ARG A 55 3.983 10.363 8.525 1.00 0.00 H new ATOM 0 HB2 ARG A 55 2.070 10.730 10.012 1.00 0.00 H new ATOM 0 HB3 ARG A 55 1.526 10.331 8.395 1.00 0.00 H new ATOM 0 HG2 ARG A 55 0.852 8.140 9.033 1.00 0.00 H new ATOM 0 HG3 ARG A 55 1.773 8.193 10.523 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -0.383 10.251 10.105 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -0.866 8.611 10.491 1.00 0.00 H new ATOM 0 HE ARG A 55 1.198 9.726 12.272 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -2.242 9.260 11.633 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -2.705 9.477 13.324 1.00 0.00 H new ATOM 0 HH21 ARG A 55 0.598 10.000 14.442 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -1.103 9.894 14.909 1.00 0.00 H new ATOM 875 N ASN A 56 3.978 7.691 10.431 1.00 0.00 N ATOM 876 CA ASN A 56 4.614 7.068 11.587 1.00 0.00 C ATOM 877 C ASN A 56 6.111 7.362 11.607 1.00 0.00 C ATOM 878 O ASN A 56 6.692 7.603 12.664 1.00 0.00 O ATOM 879 CB ASN A 56 4.380 5.556 11.570 1.00 0.00 C ATOM 880 CG ASN A 56 5.379 4.807 12.431 1.00 0.00 C ATOM 881 OD1 ASN A 56 6.569 4.575 11.889 1.00 0.00 O flip ATOM 882 ND2 ASN A 56 5.084 4.442 13.569 1.00 0.00 N flip ATOM 0 H ASN A 56 3.392 7.062 9.882 1.00 0.00 H new ATOM 0 HA ASN A 56 4.167 7.488 12.488 1.00 0.00 H new ATOM 0 HB2 ASN A 56 3.370 5.343 11.921 1.00 0.00 H new ATOM 0 HB3 ASN A 56 4.444 5.193 10.544 1.00 0.00 H new ATOM 0 HD21 ASN A 56 4.157 4.642 13.945 1.00 0.00 H new ATOM 0 HD22 ASN A 56 5.766 3.939 14.136 1.00 0.00 H new ATOM 889 N ASN A 57 6.729 7.340 10.431 1.00 0.00 N ATOM 890 CA ASN A 57 8.158 7.605 10.313 1.00 0.00 C ATOM 891 C ASN A 57 8.480 9.043 10.708 1.00 0.00 C ATOM 892 O ASN A 57 7.584 9.828 11.015 1.00 0.00 O ATOM 893 CB ASN A 57 8.631 7.339 8.883 1.00 0.00 C ATOM 894 CG ASN A 57 10.140 7.215 8.786 1.00 0.00 C ATOM 895 OD1 ASN A 57 10.782 7.910 7.999 1.00 0.00 O ATOM 896 ND2 ASN A 57 10.713 6.326 9.589 1.00 0.00 N ATOM 0 H ASN A 57 6.263 7.141 9.546 1.00 0.00 H new ATOM 0 HA ASN A 57 8.683 6.934 10.993 1.00 0.00 H new ATOM 0 HB2 ASN A 57 8.170 6.422 8.515 1.00 0.00 H new ATOM 0 HB3 ASN A 57 8.293 8.148 8.235 1.00 0.00 H new ATOM 0 HD21 ASN A 57 11.725 6.198 9.569 1.00 0.00 H new ATOM 0 HD22 ASN A 57 10.141 5.771 10.226 1.00 0.00 H new ATOM 903 N SER A 58 9.766 9.380 10.698 1.00 0.00 N ATOM 904 CA SER A 58 10.207 10.722 11.058 1.00 0.00 C ATOM 905 C SER A 58 10.303 11.612 9.823 1.00 0.00 C ATOM 906 O SER A 58 9.925 12.782 9.856 1.00 0.00 O ATOM 907 CB SER A 58 11.562 10.664 11.765 1.00 0.00 C ATOM 908 OG SER A 58 11.418 10.246 13.112 1.00 0.00 O ATOM 0 H SER A 58 10.520 8.742 10.444 1.00 0.00 H new ATOM 0 HA SER A 58 9.469 11.150 11.737 1.00 0.00 H new ATOM 0 HB2 SER A 58 12.222 9.976 11.236 1.00 0.00 H new ATOM 0 HB3 SER A 58 12.034 11.646 11.734 1.00 0.00 H new ATOM 0 HG SER A 58 12.299 10.216 13.541 1.00 0.00 H new ATOM 914 N ASN A 59 10.813 11.048 8.733 1.00 0.00 N ATOM 915 CA ASN A 59 10.960 11.789 7.485 1.00 0.00 C ATOM 916 C ASN A 59 9.615 12.334 7.015 1.00 0.00 C ATOM 917 O ASN A 59 9.496 13.511 6.672 1.00 0.00 O ATOM 918 CB ASN A 59 11.566 10.893 6.404 1.00 0.00 C ATOM 919 CG ASN A 59 13.078 10.820 6.494 1.00 0.00 C ATOM 920 OD1 ASN A 59 13.637 9.824 6.953 1.00 0.00 O ATOM 921 ND2 ASN A 59 13.749 11.879 6.054 1.00 0.00 N ATOM 0 H ASN A 59 11.132 10.080 8.688 1.00 0.00 H new ATOM 0 HA ASN A 59 11.629 12.630 7.667 1.00 0.00 H new ATOM 0 HB2 ASN A 59 11.151 9.889 6.493 1.00 0.00 H new ATOM 0 HB3 ASN A 59 11.281 11.270 5.422 1.00 0.00 H new ATOM 0 HD21 ASN A 59 14.768 11.887 6.089 1.00 0.00 H new ATOM 0 HD22 ASN A 59 13.245 12.683 5.681 1.00 0.00 H new ATOM 928 N PHE A 60 8.605 11.471 7.002 1.00 0.00 N ATOM 929 CA PHE A 60 7.268 11.866 6.573 1.00 0.00 C ATOM 930 C PHE A 60 6.529 12.592 7.694 1.00 0.00 C ATOM 931 O PHE A 60 5.864 13.600 7.462 1.00 0.00 O ATOM 932 CB PHE A 60 6.468 10.639 6.131 1.00 0.00 C ATOM 933 CG PHE A 60 7.105 9.883 5.000 1.00 0.00 C ATOM 934 CD1 PHE A 60 7.226 10.459 3.746 1.00 0.00 C ATOM 935 CD2 PHE A 60 7.584 8.597 5.192 1.00 0.00 C ATOM 936 CE1 PHE A 60 7.812 9.766 2.703 1.00 0.00 C ATOM 937 CE2 PHE A 60 8.171 7.900 4.153 1.00 0.00 C ATOM 938 CZ PHE A 60 8.285 8.485 2.907 1.00 0.00 C ATOM 0 H PHE A 60 8.686 10.494 7.283 1.00 0.00 H new ATOM 0 HA PHE A 60 7.371 12.548 5.729 1.00 0.00 H new ATOM 0 HB2 PHE A 60 6.346 9.969 6.982 1.00 0.00 H new ATOM 0 HB3 PHE A 60 5.470 10.956 5.829 1.00 0.00 H new ATOM 0 HD1 PHE A 60 6.858 11.461 3.581 1.00 0.00 H new ATOM 0 HD2 PHE A 60 7.498 8.134 6.164 1.00 0.00 H new ATOM 0 HE1 PHE A 60 7.900 10.226 1.730 1.00 0.00 H new ATOM 0 HE2 PHE A 60 8.540 6.898 4.315 1.00 0.00 H new ATOM 0 HZ PHE A 60 8.743 7.942 2.094 1.00 0.00 H new ATOM 948 N GLY A 61 6.651 12.069 8.910 1.00 0.00 N ATOM 949 CA GLY A 61 5.990 12.678 10.049 1.00 0.00 C ATOM 950 C GLY A 61 4.509 12.894 9.813 1.00 0.00 C ATOM 951 O GLY A 61 3.970 12.549 8.761 1.00 0.00 O ATOM 0 H GLY A 61 7.196 11.234 9.127 1.00 0.00 H new ATOM 0 HA2 GLY A 61 6.126 12.045 10.926 1.00 0.00 H new ATOM 0 HA3 GLY A 61 6.463 13.635 10.270 1.00 0.00 H new ATOM 955 N PRO A 62 3.825 13.475 10.809 1.00 0.00 N ATOM 956 CA PRO A 62 2.386 13.747 10.729 1.00 0.00 C ATOM 957 C PRO A 62 2.061 14.852 9.729 1.00 0.00 C ATOM 958 O PRO A 62 0.893 15.147 9.476 1.00 0.00 O ATOM 959 CB PRO A 62 2.029 14.189 12.150 1.00 0.00 C ATOM 960 CG PRO A 62 3.300 14.726 12.711 1.00 0.00 C ATOM 961 CD PRO A 62 4.402 13.912 12.091 1.00 0.00 C ATOM 0 HA PRO A 62 1.825 12.878 10.385 1.00 0.00 H new ATOM 0 HB2 PRO A 62 1.247 14.949 12.144 1.00 0.00 H new ATOM 0 HB3 PRO A 62 1.657 13.353 12.743 1.00 0.00 H new ATOM 0 HG2 PRO A 62 3.415 15.784 12.474 1.00 0.00 H new ATOM 0 HG3 PRO A 62 3.315 14.639 13.797 1.00 0.00 H new ATOM 0 HD2 PRO A 62 5.305 14.505 11.944 1.00 0.00 H new ATOM 0 HD3 PRO A 62 4.676 13.064 12.718 1.00 0.00 H new ATOM 969 N GLU A 63 3.101 15.459 9.165 1.00 0.00 N ATOM 970 CA GLU A 63 2.923 16.532 8.194 1.00 0.00 C ATOM 971 C GLU A 63 2.384 15.987 6.874 1.00 0.00 C ATOM 972 O GLU A 63 1.531 16.605 6.237 1.00 0.00 O ATOM 973 CB GLU A 63 4.249 17.258 7.955 1.00 0.00 C ATOM 974 CG GLU A 63 5.384 16.334 7.549 1.00 0.00 C ATOM 975 CD GLU A 63 6.627 17.090 7.122 1.00 0.00 C ATOM 976 OE1 GLU A 63 6.547 17.861 6.143 1.00 0.00 O ATOM 977 OE2 GLU A 63 7.682 16.909 7.767 1.00 0.00 O ATOM 0 H GLU A 63 4.074 15.226 9.364 1.00 0.00 H new ATOM 0 HA GLU A 63 2.198 17.238 8.599 1.00 0.00 H new ATOM 0 HB2 GLU A 63 4.107 18.009 7.178 1.00 0.00 H new ATOM 0 HB3 GLU A 63 4.532 17.789 8.864 1.00 0.00 H new ATOM 0 HG2 GLU A 63 5.631 15.679 8.384 1.00 0.00 H new ATOM 0 HG3 GLU A 63 5.052 15.695 6.730 1.00 0.00 H new ATOM 984 N VAL A 64 2.889 14.826 6.469 1.00 0.00 N ATOM 985 CA VAL A 64 2.459 14.197 5.226 1.00 0.00 C ATOM 986 C VAL A 64 0.941 14.067 5.173 1.00 0.00 C ATOM 987 O VAL A 64 0.285 13.885 6.199 1.00 0.00 O ATOM 988 CB VAL A 64 3.089 12.802 5.056 1.00 0.00 C ATOM 989 CG1 VAL A 64 2.592 11.855 6.138 1.00 0.00 C ATOM 990 CG2 VAL A 64 2.789 12.247 3.672 1.00 0.00 C ATOM 0 H VAL A 64 3.597 14.302 6.984 1.00 0.00 H new ATOM 0 HA VAL A 64 2.794 14.840 4.413 1.00 0.00 H new ATOM 0 HB VAL A 64 4.170 12.896 5.158 1.00 0.00 H new ATOM 0 HG11 VAL A 64 3.048 10.875 6.001 1.00 0.00 H new ATOM 0 HG12 VAL A 64 2.863 12.248 7.118 1.00 0.00 H new ATOM 0 HG13 VAL A 64 1.508 11.763 6.071 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.242 11.261 3.569 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.710 12.167 3.538 1.00 0.00 H new ATOM 0 HG23 VAL A 64 3.200 12.915 2.915 1.00 0.00 H new ATOM 1000 N THR A 65 0.386 14.161 3.968 1.00 0.00 N ATOM 1001 CA THR A 65 -1.055 14.055 3.780 1.00 0.00 C ATOM 1002 C THR A 65 -1.390 13.165 2.589 1.00 0.00 C ATOM 1003 O THR A 65 -0.534 12.889 1.748 1.00 0.00 O ATOM 1004 CB THR A 65 -1.698 15.438 3.570 1.00 0.00 C ATOM 1005 OG1 THR A 65 -3.125 15.328 3.616 1.00 0.00 O ATOM 1006 CG2 THR A 65 -1.273 16.035 2.236 1.00 0.00 C ATOM 0 H THR A 65 0.914 14.310 3.108 1.00 0.00 H new ATOM 0 HA THR A 65 -1.460 13.609 4.689 1.00 0.00 H new ATOM 0 HB THR A 65 -1.359 16.097 4.370 1.00 0.00 H new ATOM 0 HG1 THR A 65 -3.526 16.212 3.483 1.00 0.00 H new ATOM 0 HG21 THR A 65 -1.740 17.012 2.109 1.00 0.00 H new ATOM 0 HG22 THR A 65 -0.189 16.145 2.216 1.00 0.00 H new ATOM 0 HG23 THR A 65 -1.586 15.376 1.426 1.00 0.00 H new ATOM 1014 N ARG A 66 -2.640 12.718 2.522 1.00 0.00 N ATOM 1015 CA ARG A 66 -3.087 11.859 1.432 1.00 0.00 C ATOM 1016 C ARG A 66 -2.385 12.226 0.128 1.00 0.00 C ATOM 1017 O ARG A 66 -1.821 11.365 -0.547 1.00 0.00 O ATOM 1018 CB ARG A 66 -4.603 11.969 1.257 1.00 0.00 C ATOM 1019 CG ARG A 66 -5.394 11.327 2.385 1.00 0.00 C ATOM 1020 CD ARG A 66 -5.897 12.367 3.374 1.00 0.00 C ATOM 1021 NE ARG A 66 -6.845 13.293 2.760 1.00 0.00 N ATOM 1022 CZ ARG A 66 -7.285 14.396 3.355 1.00 0.00 C ATOM 1023 NH1 ARG A 66 -6.863 14.710 4.572 1.00 0.00 N ATOM 1024 NH2 ARG A 66 -8.147 15.189 2.732 1.00 0.00 N ATOM 0 H ARG A 66 -3.361 12.937 3.210 1.00 0.00 H new ATOM 0 HA ARG A 66 -2.831 10.830 1.685 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -4.877 13.022 1.186 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -4.886 11.502 0.314 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -6.240 10.778 1.971 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -4.767 10.603 2.904 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -6.374 11.866 4.216 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -5.051 12.926 3.774 1.00 0.00 H new ATOM 0 HE ARG A 66 -7.188 13.081 1.823 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -6.199 14.104 5.054 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -7.202 15.558 5.027 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -8.473 14.952 1.795 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -8.484 16.036 3.190 1.00 0.00 H new ATOM 1038 N GLN A 67 -2.427 13.507 -0.221 1.00 0.00 N ATOM 1039 CA GLN A 67 -1.796 13.987 -1.445 1.00 0.00 C ATOM 1040 C GLN A 67 -0.449 13.308 -1.665 1.00 0.00 C ATOM 1041 O GLN A 67 -0.193 12.747 -2.730 1.00 0.00 O ATOM 1042 CB GLN A 67 -1.613 15.504 -1.389 1.00 0.00 C ATOM 1043 CG GLN A 67 -1.461 16.150 -2.757 1.00 0.00 C ATOM 1044 CD GLN A 67 -1.297 17.655 -2.677 1.00 0.00 C ATOM 1045 OE1 GLN A 67 -2.278 18.394 -2.599 1.00 0.00 O ATOM 1046 NE2 GLN A 67 -0.052 18.117 -2.697 1.00 0.00 N ATOM 0 H GLN A 67 -2.891 14.232 0.326 1.00 0.00 H new ATOM 0 HA GLN A 67 -2.449 13.738 -2.282 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -2.470 15.946 -0.881 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -0.733 15.733 -0.788 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -0.596 15.721 -3.263 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -2.335 15.915 -3.364 1.00 0.00 H new ATOM 0 HE21 GLN A 67 0.732 17.468 -2.763 1.00 0.00 H new ATOM 0 HE22 GLN A 67 0.120 19.121 -2.647 1.00 0.00 H new ATOM 1055 N GLN A 68 0.409 13.364 -0.651 1.00 0.00 N ATOM 1056 CA GLN A 68 1.731 12.755 -0.735 1.00 0.00 C ATOM 1057 C GLN A 68 1.626 11.237 -0.835 1.00 0.00 C ATOM 1058 O GLN A 68 2.298 10.609 -1.655 1.00 0.00 O ATOM 1059 CB GLN A 68 2.572 13.140 0.483 1.00 0.00 C ATOM 1060 CG GLN A 68 3.139 14.549 0.410 1.00 0.00 C ATOM 1061 CD GLN A 68 3.922 14.928 1.652 1.00 0.00 C ATOM 1062 OE1 GLN A 68 4.810 14.194 2.088 1.00 0.00 O ATOM 1063 NE2 GLN A 68 3.598 16.079 2.228 1.00 0.00 N ATOM 0 H GLN A 68 0.212 13.825 0.238 1.00 0.00 H new ATOM 0 HA GLN A 68 2.218 13.128 -1.636 1.00 0.00 H new ATOM 0 HB2 GLN A 68 1.960 13.050 1.380 1.00 0.00 H new ATOM 0 HB3 GLN A 68 3.394 12.431 0.585 1.00 0.00 H new ATOM 0 HG2 GLN A 68 3.787 14.631 -0.463 1.00 0.00 H new ATOM 0 HG3 GLN A 68 2.323 15.258 0.269 1.00 0.00 H new ATOM 0 HE21 GLN A 68 2.855 16.656 1.833 1.00 0.00 H new ATOM 0 HE22 GLN A 68 4.092 16.387 3.066 1.00 0.00 H new ATOM 1072 N THR A 69 0.778 10.650 0.005 1.00 0.00 N ATOM 1073 CA THR A 69 0.586 9.206 0.012 1.00 0.00 C ATOM 1074 C THR A 69 0.258 8.687 -1.383 1.00 0.00 C ATOM 1075 O THR A 69 0.904 7.765 -1.880 1.00 0.00 O ATOM 1076 CB THR A 69 -0.541 8.794 0.979 1.00 0.00 C ATOM 1077 OG1 THR A 69 -0.260 9.282 2.295 1.00 0.00 O ATOM 1078 CG2 THR A 69 -0.695 7.281 1.016 1.00 0.00 C ATOM 0 H THR A 69 0.213 11.154 0.689 1.00 0.00 H new ATOM 0 HA THR A 69 1.524 8.765 0.349 1.00 0.00 H new ATOM 0 HB THR A 69 -1.474 9.230 0.622 1.00 0.00 H new ATOM 0 HG1 THR A 69 -0.979 9.883 2.581 1.00 0.00 H new ATOM 0 HG21 THR A 69 -1.496 7.014 1.705 1.00 0.00 H new ATOM 0 HG22 THR A 69 -0.937 6.915 0.018 1.00 0.00 H new ATOM 0 HG23 THR A 69 0.238 6.828 1.351 1.00 0.00 H new ATOM 1086 N ILE A 70 -0.748 9.287 -2.010 1.00 0.00 N ATOM 1087 CA ILE A 70 -1.160 8.886 -3.350 1.00 0.00 C ATOM 1088 C ILE A 70 -0.004 9.000 -4.337 1.00 0.00 C ATOM 1089 O ILE A 70 0.169 8.145 -5.206 1.00 0.00 O ATOM 1090 CB ILE A 70 -2.338 9.740 -3.856 1.00 0.00 C ATOM 1091 CG1 ILE A 70 -3.553 9.563 -2.943 1.00 0.00 C ATOM 1092 CG2 ILE A 70 -2.686 9.366 -5.289 1.00 0.00 C ATOM 1093 CD1 ILE A 70 -4.438 10.788 -2.870 1.00 0.00 C ATOM 0 H ILE A 70 -1.293 10.052 -1.612 1.00 0.00 H new ATOM 0 HA ILE A 70 -1.478 7.845 -3.284 1.00 0.00 H new ATOM 0 HB ILE A 70 -2.042 10.789 -3.837 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -4.144 8.719 -3.298 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -3.210 9.313 -1.939 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -3.520 9.978 -5.632 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -1.821 9.538 -5.930 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -2.966 8.314 -5.333 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -5.279 10.590 -2.205 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -3.862 11.630 -2.486 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -4.811 11.027 -3.866 1.00 0.00 H new ATOM 1105 N GLN A 71 0.786 10.060 -4.197 1.00 0.00 N ATOM 1106 CA GLN A 71 1.927 10.284 -5.076 1.00 0.00 C ATOM 1107 C GLN A 71 2.918 9.128 -4.988 1.00 0.00 C ATOM 1108 O GLN A 71 3.461 8.683 -6.000 1.00 0.00 O ATOM 1109 CB GLN A 71 2.624 11.597 -4.717 1.00 0.00 C ATOM 1110 CG GLN A 71 2.024 12.812 -5.406 1.00 0.00 C ATOM 1111 CD GLN A 71 2.539 12.995 -6.820 1.00 0.00 C ATOM 1112 OE1 GLN A 71 3.707 12.730 -7.107 1.00 0.00 O ATOM 1113 NE2 GLN A 71 1.668 13.450 -7.713 1.00 0.00 N ATOM 0 H GLN A 71 0.656 10.777 -3.483 1.00 0.00 H new ATOM 0 HA GLN A 71 1.558 10.345 -6.100 1.00 0.00 H new ATOM 0 HB2 GLN A 71 2.576 11.741 -3.638 1.00 0.00 H new ATOM 0 HB3 GLN A 71 3.679 11.523 -4.982 1.00 0.00 H new ATOM 0 HG2 GLN A 71 0.939 12.713 -5.429 1.00 0.00 H new ATOM 0 HG3 GLN A 71 2.250 13.704 -4.823 1.00 0.00 H new ATOM 0 HE21 GLN A 71 0.710 13.657 -7.431 1.00 0.00 H new ATOM 0 HE22 GLN A 71 1.957 13.593 -8.681 1.00 0.00 H new ATOM 1122 N LEU A 72 3.149 8.645 -3.772 1.00 0.00 N ATOM 1123 CA LEU A 72 4.075 7.540 -3.551 1.00 0.00 C ATOM 1124 C LEU A 72 3.463 6.218 -4.003 1.00 0.00 C ATOM 1125 O LEU A 72 4.143 5.375 -4.590 1.00 0.00 O ATOM 1126 CB LEU A 72 4.459 7.458 -2.072 1.00 0.00 C ATOM 1127 CG LEU A 72 5.568 6.466 -1.720 1.00 0.00 C ATOM 1128 CD1 LEU A 72 6.883 6.887 -2.358 1.00 0.00 C ATOM 1129 CD2 LEU A 72 5.718 6.348 -0.211 1.00 0.00 C ATOM 0 H LEU A 72 2.708 9.001 -2.924 1.00 0.00 H new ATOM 0 HA LEU A 72 4.971 7.726 -4.143 1.00 0.00 H new ATOM 0 HB2 LEU A 72 4.768 8.450 -1.742 1.00 0.00 H new ATOM 0 HB3 LEU A 72 3.569 7.195 -1.500 1.00 0.00 H new ATOM 0 HG LEU A 72 5.294 5.488 -2.115 1.00 0.00 H new ATOM 0 HD11 LEU A 72 7.661 6.169 -2.096 1.00 0.00 H new ATOM 0 HD12 LEU A 72 6.768 6.919 -3.441 1.00 0.00 H new ATOM 0 HD13 LEU A 72 7.164 7.875 -1.994 1.00 0.00 H new ATOM 0 HD21 LEU A 72 6.512 5.638 0.021 1.00 0.00 H new ATOM 0 HD22 LEU A 72 5.969 7.323 0.207 1.00 0.00 H new ATOM 0 HD23 LEU A 72 4.780 5.999 0.222 1.00 0.00 H new ATOM 1141 N LEU A 73 2.175 6.043 -3.728 1.00 0.00 N ATOM 1142 CA LEU A 73 1.470 4.824 -4.108 1.00 0.00 C ATOM 1143 C LEU A 73 1.677 4.515 -5.587 1.00 0.00 C ATOM 1144 O LEU A 73 1.744 3.352 -5.985 1.00 0.00 O ATOM 1145 CB LEU A 73 -0.023 4.961 -3.807 1.00 0.00 C ATOM 1146 CG LEU A 73 -0.854 3.684 -3.942 1.00 0.00 C ATOM 1147 CD1 LEU A 73 -0.827 2.890 -2.645 1.00 0.00 C ATOM 1148 CD2 LEU A 73 -2.286 4.019 -4.335 1.00 0.00 C ATOM 0 H LEU A 73 1.598 6.730 -3.243 1.00 0.00 H new ATOM 0 HA LEU A 73 1.878 3.999 -3.523 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -0.135 5.338 -2.791 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -0.440 5.715 -4.475 1.00 0.00 H new ATOM 0 HG LEU A 73 -0.416 3.070 -4.729 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -1.424 1.985 -2.760 1.00 0.00 H new ATOM 0 HD12 LEU A 73 0.201 2.619 -2.406 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -1.239 3.496 -1.839 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -2.863 3.099 -4.427 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -2.734 4.654 -3.570 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -2.288 4.545 -5.290 1.00 0.00 H new ATOM 1160 N ARG A 74 1.778 5.563 -6.397 1.00 0.00 N ATOM 1161 CA ARG A 74 1.978 5.404 -7.832 1.00 0.00 C ATOM 1162 C ARG A 74 3.289 4.678 -8.121 1.00 0.00 C ATOM 1163 O ARG A 74 3.342 3.779 -8.961 1.00 0.00 O ATOM 1164 CB ARG A 74 1.975 6.768 -8.524 1.00 0.00 C ATOM 1165 CG ARG A 74 0.601 7.415 -8.588 1.00 0.00 C ATOM 1166 CD ARG A 74 0.699 8.933 -8.573 1.00 0.00 C ATOM 1167 NE ARG A 74 -0.420 9.560 -9.271 1.00 0.00 N ATOM 1168 CZ ARG A 74 -0.847 10.792 -9.017 1.00 0.00 C ATOM 1169 NH1 ARG A 74 -0.252 11.525 -8.086 1.00 0.00 N ATOM 1170 NH2 ARG A 74 -1.872 11.293 -9.694 1.00 0.00 N ATOM 0 H ARG A 74 1.725 6.532 -6.084 1.00 0.00 H new ATOM 0 HA ARG A 74 1.156 4.804 -8.223 1.00 0.00 H new ATOM 0 HB2 ARG A 74 2.657 7.435 -7.997 1.00 0.00 H new ATOM 0 HB3 ARG A 74 2.361 6.653 -9.537 1.00 0.00 H new ATOM 0 HG2 ARG A 74 0.087 7.091 -9.493 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -0.000 7.080 -7.743 1.00 0.00 H new ATOM 0 HD2 ARG A 74 0.726 9.284 -7.542 1.00 0.00 H new ATOM 0 HD3 ARG A 74 1.635 9.241 -9.039 1.00 0.00 H new ATOM 0 HE ARG A 74 -0.900 9.023 -9.993 1.00 0.00 H new ATOM 0 HH11 ARG A 74 0.536 11.143 -7.563 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -0.582 12.471 -7.893 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -2.333 10.732 -10.410 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -2.199 12.239 -9.498 1.00 0.00 H new ATOM 1184 N LYS A 75 4.346 5.075 -7.421 1.00 0.00 N ATOM 1185 CA LYS A 75 5.657 4.464 -7.600 1.00 0.00 C ATOM 1186 C LYS A 75 5.576 2.948 -7.451 1.00 0.00 C ATOM 1187 O LYS A 75 6.085 2.203 -8.288 1.00 0.00 O ATOM 1188 CB LYS A 75 6.652 5.034 -6.586 1.00 0.00 C ATOM 1189 CG LYS A 75 7.332 6.310 -7.052 1.00 0.00 C ATOM 1190 CD LYS A 75 8.670 6.512 -6.362 1.00 0.00 C ATOM 1191 CE LYS A 75 9.603 7.375 -7.198 1.00 0.00 C ATOM 1192 NZ LYS A 75 10.306 6.579 -8.243 1.00 0.00 N ATOM 0 H LYS A 75 4.320 5.819 -6.723 1.00 0.00 H new ATOM 0 HA LYS A 75 6.002 4.695 -8.608 1.00 0.00 H new ATOM 0 HB2 LYS A 75 6.130 5.231 -5.649 1.00 0.00 H new ATOM 0 HB3 LYS A 75 7.413 4.283 -6.375 1.00 0.00 H new ATOM 0 HG2 LYS A 75 7.480 6.271 -8.131 1.00 0.00 H new ATOM 0 HG3 LYS A 75 6.685 7.163 -6.850 1.00 0.00 H new ATOM 0 HD2 LYS A 75 8.513 6.980 -5.390 1.00 0.00 H new ATOM 0 HD3 LYS A 75 9.136 5.544 -6.178 1.00 0.00 H new ATOM 0 HE2 LYS A 75 9.032 8.173 -7.672 1.00 0.00 H new ATOM 0 HE3 LYS A 75 10.338 7.851 -6.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 10.932 7.202 -8.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 10.871 5.833 -7.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 9.606 6.145 -8.878 1.00 0.00 H new ATOM 1206 N PHE A 76 4.931 2.497 -6.380 1.00 0.00 N ATOM 1207 CA PHE A 76 4.782 1.070 -6.121 1.00 0.00 C ATOM 1208 C PHE A 76 4.283 0.341 -7.365 1.00 0.00 C ATOM 1209 O PHE A 76 4.977 -0.512 -7.920 1.00 0.00 O ATOM 1210 CB PHE A 76 3.815 0.838 -4.958 1.00 0.00 C ATOM 1211 CG PHE A 76 4.403 1.168 -3.616 1.00 0.00 C ATOM 1212 CD1 PHE A 76 5.112 0.215 -2.902 1.00 0.00 C ATOM 1213 CD2 PHE A 76 4.246 2.431 -3.067 1.00 0.00 C ATOM 1214 CE1 PHE A 76 5.653 0.516 -1.667 1.00 0.00 C ATOM 1215 CE2 PHE A 76 4.785 2.737 -1.832 1.00 0.00 C ATOM 1216 CZ PHE A 76 5.490 1.779 -1.131 1.00 0.00 C ATOM 0 H PHE A 76 4.503 3.100 -5.677 1.00 0.00 H new ATOM 0 HA PHE A 76 5.761 0.671 -5.855 1.00 0.00 H new ATOM 0 HB2 PHE A 76 2.921 1.442 -5.113 1.00 0.00 H new ATOM 0 HB3 PHE A 76 3.499 -0.205 -4.961 1.00 0.00 H new ATOM 0 HD1 PHE A 76 5.243 -0.774 -3.316 1.00 0.00 H new ATOM 0 HD2 PHE A 76 3.696 3.185 -3.611 1.00 0.00 H new ATOM 0 HE1 PHE A 76 6.203 -0.236 -1.121 1.00 0.00 H new ATOM 0 HE2 PHE A 76 4.655 3.725 -1.415 1.00 0.00 H new ATOM 0 HZ PHE A 76 5.913 2.016 -0.166 1.00 0.00 H new ATOM 1226 N LEU A 77 3.074 0.682 -7.798 1.00 0.00 N ATOM 1227 CA LEU A 77 2.480 0.061 -8.977 1.00 0.00 C ATOM 1228 C LEU A 77 3.454 0.077 -10.151 1.00 0.00 C ATOM 1229 O LEU A 77 3.470 -0.841 -10.971 1.00 0.00 O ATOM 1230 CB LEU A 77 1.188 0.783 -9.361 1.00 0.00 C ATOM 1231 CG LEU A 77 0.600 0.427 -10.727 1.00 0.00 C ATOM 1232 CD1 LEU A 77 -0.360 -0.746 -10.606 1.00 0.00 C ATOM 1233 CD2 LEU A 77 -0.101 1.632 -11.338 1.00 0.00 C ATOM 0 H LEU A 77 2.486 1.385 -7.350 1.00 0.00 H new ATOM 0 HA LEU A 77 2.251 -0.977 -8.734 1.00 0.00 H new ATOM 0 HB2 LEU A 77 0.438 0.573 -8.599 1.00 0.00 H new ATOM 0 HB3 LEU A 77 1.375 1.857 -9.337 1.00 0.00 H new ATOM 0 HG LEU A 77 1.417 0.135 -11.387 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.768 -0.985 -11.588 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.172 -1.613 -10.214 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -1.173 -0.483 -9.929 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -0.513 1.359 -12.310 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -0.907 1.956 -10.680 1.00 0.00 H new ATOM 0 HD23 LEU A 77 0.615 2.445 -11.463 1.00 0.00 H new ATOM 1245 N LYS A 78 4.267 1.126 -10.224 1.00 0.00 N ATOM 1246 CA LYS A 78 5.247 1.261 -11.295 1.00 0.00 C ATOM 1247 C LYS A 78 6.411 0.297 -11.092 1.00 0.00 C ATOM 1248 O LYS A 78 6.923 -0.282 -12.049 1.00 0.00 O ATOM 1249 CB LYS A 78 5.767 2.699 -11.359 1.00 0.00 C ATOM 1250 CG LYS A 78 6.946 2.878 -12.300 1.00 0.00 C ATOM 1251 CD LYS A 78 7.096 4.326 -12.736 1.00 0.00 C ATOM 1252 CE LYS A 78 7.602 5.201 -11.599 1.00 0.00 C ATOM 1253 NZ LYS A 78 7.611 6.643 -11.971 1.00 0.00 N ATOM 0 H LYS A 78 4.266 1.895 -9.554 1.00 0.00 H new ATOM 0 HA LYS A 78 4.756 1.016 -12.237 1.00 0.00 H new ATOM 0 HB2 LYS A 78 4.957 3.356 -11.676 1.00 0.00 H new ATOM 0 HB3 LYS A 78 6.060 3.015 -10.358 1.00 0.00 H new ATOM 0 HG2 LYS A 78 7.860 2.549 -11.806 1.00 0.00 H new ATOM 0 HG3 LYS A 78 6.812 2.245 -13.177 1.00 0.00 H new ATOM 0 HD2 LYS A 78 7.787 4.384 -13.577 1.00 0.00 H new ATOM 0 HD3 LYS A 78 6.135 4.703 -13.087 1.00 0.00 H new ATOM 0 HE2 LYS A 78 6.972 5.056 -10.721 1.00 0.00 H new ATOM 0 HE3 LYS A 78 8.610 4.891 -11.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 7.962 7.206 -11.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 8.232 6.786 -12.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 6.645 6.946 -12.210 1.00 0.00 H new ATOM 1267 N ASN A 79 6.823 0.129 -9.839 1.00 0.00 N ATOM 1268 CA ASN A 79 7.926 -0.767 -9.512 1.00 0.00 C ATOM 1269 C ASN A 79 7.469 -2.222 -9.529 1.00 0.00 C ATOM 1270 O ASN A 79 8.222 -3.126 -9.162 1.00 0.00 O ATOM 1271 CB ASN A 79 8.503 -0.418 -8.138 1.00 0.00 C ATOM 1272 CG ASN A 79 9.449 0.766 -8.192 1.00 0.00 C ATOM 1273 OD1 ASN A 79 10.622 0.622 -8.535 1.00 0.00 O ATOM 1274 ND2 ASN A 79 8.941 1.945 -7.852 1.00 0.00 N ATOM 0 H ASN A 79 6.410 0.601 -9.035 1.00 0.00 H new ATOM 0 HA ASN A 79 8.701 -0.640 -10.268 1.00 0.00 H new ATOM 0 HB2 ASN A 79 7.687 -0.197 -7.450 1.00 0.00 H new ATOM 0 HB3 ASN A 79 9.031 -1.284 -7.738 1.00 0.00 H new ATOM 0 HD21 ASN A 79 9.530 2.778 -7.869 1.00 0.00 H new ATOM 0 HD22 ASN A 79 7.962 2.018 -7.574 1.00 0.00 H new ATOM 1281 N HIS A 80 6.230 -2.443 -9.957 1.00 0.00 N ATOM 1282 CA HIS A 80 5.672 -3.789 -10.023 1.00 0.00 C ATOM 1283 C HIS A 80 5.488 -4.370 -8.625 1.00 0.00 C ATOM 1284 O HIS A 80 5.618 -5.577 -8.421 1.00 0.00 O ATOM 1285 CB HIS A 80 6.580 -4.700 -10.851 1.00 0.00 C ATOM 1286 CG HIS A 80 5.910 -5.961 -11.303 1.00 0.00 C ATOM 1287 ND1 HIS A 80 4.602 -6.304 -11.342 1.00 0.00 N flip ATOM 1288 CD2 HIS A 80 6.605 -7.050 -11.787 1.00 0.00 C flip ATOM 1289 CE1 HIS A 80 4.530 -7.580 -11.844 1.00 0.00 C flip ATOM 1290 NE2 HIS A 80 5.752 -8.007 -12.104 1.00 0.00 N flip ATOM 0 H HIS A 80 5.593 -1.707 -10.263 1.00 0.00 H new ATOM 0 HA HIS A 80 4.695 -3.728 -10.503 1.00 0.00 H new ATOM 0 HB2 HIS A 80 6.932 -4.152 -11.725 1.00 0.00 H new ATOM 0 HB3 HIS A 80 7.459 -4.957 -10.260 1.00 0.00 H new ATOM 0 HD1 HIS A 80 3.815 -5.723 -11.052 1.00 0.00 H new ATOM 0 HD2 HIS A 80 7.678 -7.110 -11.890 1.00 0.00 H new ATOM 0 HE1 HIS A 80 3.622 -8.143 -12.001 1.00 0.00 H new ATOM 1298 N VAL A 81 5.184 -3.503 -7.664 1.00 0.00 N ATOM 1299 CA VAL A 81 4.981 -3.930 -6.285 1.00 0.00 C ATOM 1300 C VAL A 81 3.543 -4.380 -6.055 1.00 0.00 C ATOM 1301 O VAL A 81 3.278 -5.238 -5.212 1.00 0.00 O ATOM 1302 CB VAL A 81 5.320 -2.802 -5.293 1.00 0.00 C ATOM 1303 CG1 VAL A 81 5.079 -3.259 -3.862 1.00 0.00 C ATOM 1304 CG2 VAL A 81 6.758 -2.342 -5.480 1.00 0.00 C ATOM 0 H VAL A 81 5.073 -2.500 -7.816 1.00 0.00 H new ATOM 0 HA VAL A 81 5.653 -4.770 -6.111 1.00 0.00 H new ATOM 0 HB VAL A 81 4.663 -1.956 -5.494 1.00 0.00 H new ATOM 0 HG11 VAL A 81 5.324 -2.449 -3.175 1.00 0.00 H new ATOM 0 HG12 VAL A 81 4.031 -3.534 -3.740 1.00 0.00 H new ATOM 0 HG13 VAL A 81 5.709 -4.122 -3.645 1.00 0.00 H new ATOM 0 HG21 VAL A 81 6.980 -1.545 -4.771 1.00 0.00 H new ATOM 0 HG22 VAL A 81 7.433 -3.180 -5.307 1.00 0.00 H new ATOM 0 HG23 VAL A 81 6.892 -1.971 -6.496 1.00 0.00 H new ATOM 1314 N ILE A 82 2.618 -3.795 -6.808 1.00 0.00 N ATOM 1315 CA ILE A 82 1.206 -4.137 -6.688 1.00 0.00 C ATOM 1316 C ILE A 82 0.526 -4.153 -8.052 1.00 0.00 C ATOM 1317 O ILE A 82 0.597 -3.180 -8.803 1.00 0.00 O ATOM 1318 CB ILE A 82 0.465 -3.150 -5.767 1.00 0.00 C ATOM 1319 CG1 ILE A 82 0.753 -1.708 -6.192 1.00 0.00 C ATOM 1320 CG2 ILE A 82 0.868 -3.372 -4.317 1.00 0.00 C ATOM 1321 CD1 ILE A 82 -0.124 -0.688 -5.500 1.00 0.00 C ATOM 0 H ILE A 82 2.821 -3.082 -7.508 1.00 0.00 H new ATOM 0 HA ILE A 82 1.158 -5.134 -6.251 1.00 0.00 H new ATOM 0 HB ILE A 82 -0.607 -3.328 -5.856 1.00 0.00 H new ATOM 0 HG12 ILE A 82 1.798 -1.478 -5.984 1.00 0.00 H new ATOM 0 HG13 ILE A 82 0.616 -1.621 -7.270 1.00 0.00 H new ATOM 0 HG21 ILE A 82 0.335 -2.666 -3.679 1.00 0.00 H new ATOM 0 HG22 ILE A 82 0.616 -4.390 -4.021 1.00 0.00 H new ATOM 0 HG23 ILE A 82 1.942 -3.218 -4.210 1.00 0.00 H new ATOM 0 HD11 ILE A 82 0.135 0.311 -5.849 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -1.170 -0.892 -5.729 1.00 0.00 H new ATOM 0 HD13 ILE A 82 0.030 -0.747 -4.423 1.00 0.00 H new ATOM 1333 N GLU A 83 -0.136 -5.262 -8.365 1.00 0.00 N ATOM 1334 CA GLU A 83 -0.831 -5.403 -9.639 1.00 0.00 C ATOM 1335 C GLU A 83 -2.337 -5.237 -9.459 1.00 0.00 C ATOM 1336 O GLU A 83 -2.842 -5.235 -8.336 1.00 0.00 O ATOM 1337 CB GLU A 83 -0.528 -6.768 -10.262 1.00 0.00 C ATOM 1338 CG GLU A 83 -1.320 -7.908 -9.644 1.00 0.00 C ATOM 1339 CD GLU A 83 -1.016 -9.246 -10.290 1.00 0.00 C ATOM 1340 OE1 GLU A 83 -0.752 -9.268 -11.510 1.00 0.00 O ATOM 1341 OE2 GLU A 83 -1.044 -10.270 -9.576 1.00 0.00 O ATOM 0 H GLU A 83 -0.206 -6.076 -7.754 1.00 0.00 H new ATOM 0 HA GLU A 83 -0.474 -4.619 -10.307 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -0.741 -6.726 -11.330 1.00 0.00 H new ATOM 0 HB3 GLU A 83 0.537 -6.978 -10.157 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -1.098 -7.964 -8.578 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -2.385 -7.698 -9.737 1.00 0.00 H new ATOM 1348 N ASP A 84 -3.048 -5.097 -10.572 1.00 0.00 N ATOM 1349 CA ASP A 84 -4.496 -4.930 -10.538 1.00 0.00 C ATOM 1350 C ASP A 84 -5.201 -6.282 -10.613 1.00 0.00 C ATOM 1351 O ASP A 84 -4.599 -7.286 -10.995 1.00 0.00 O ATOM 1352 CB ASP A 84 -4.955 -4.038 -11.692 1.00 0.00 C ATOM 1353 CG ASP A 84 -6.259 -3.326 -11.391 1.00 0.00 C ATOM 1354 OD1 ASP A 84 -6.248 -2.391 -10.563 1.00 0.00 O ATOM 1355 OD2 ASP A 84 -7.292 -3.704 -11.983 1.00 0.00 O ATOM 0 H ASP A 84 -2.645 -5.096 -11.509 1.00 0.00 H new ATOM 0 HA ASP A 84 -4.760 -4.454 -9.594 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -4.182 -3.300 -11.906 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -5.074 -4.644 -12.590 1.00 0.00 H new ATOM 1360 N ILE A 85 -6.477 -6.299 -10.244 1.00 0.00 N ATOM 1361 CA ILE A 85 -7.262 -7.526 -10.269 1.00 0.00 C ATOM 1362 C ILE A 85 -6.973 -8.339 -11.527 1.00 0.00 C ATOM 1363 O ILE A 85 -7.008 -9.569 -11.506 1.00 0.00 O ATOM 1364 CB ILE A 85 -8.772 -7.230 -10.199 1.00 0.00 C ATOM 1365 CG1 ILE A 85 -9.575 -8.525 -10.337 1.00 0.00 C ATOM 1366 CG2 ILE A 85 -9.168 -6.237 -11.281 1.00 0.00 C ATOM 1367 CD1 ILE A 85 -9.618 -9.348 -9.068 1.00 0.00 C ATOM 0 H ILE A 85 -6.989 -5.477 -9.924 1.00 0.00 H new ATOM 0 HA ILE A 85 -6.972 -8.104 -9.391 1.00 0.00 H new ATOM 0 HB ILE A 85 -8.996 -6.788 -9.228 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -10.594 -8.281 -10.637 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -9.143 -9.127 -11.136 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -10.238 -6.038 -11.218 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -8.617 -5.307 -11.141 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -8.933 -6.653 -12.261 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -10.204 -10.251 -9.240 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -8.604 -9.623 -8.778 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -10.077 -8.764 -8.271 1.00 0.00 H new ATOM 1379 N LYS A 86 -6.685 -7.642 -12.621 1.00 0.00 N ATOM 1380 CA LYS A 86 -6.386 -8.297 -13.889 1.00 0.00 C ATOM 1381 C LYS A 86 -4.892 -8.578 -14.017 1.00 0.00 C ATOM 1382 O LYS A 86 -4.489 -9.642 -14.484 1.00 0.00 O ATOM 1383 CB LYS A 86 -6.854 -7.428 -15.058 1.00 0.00 C ATOM 1384 CG LYS A 86 -8.353 -7.483 -15.295 1.00 0.00 C ATOM 1385 CD LYS A 86 -8.732 -8.641 -16.203 1.00 0.00 C ATOM 1386 CE LYS A 86 -10.210 -8.983 -16.083 1.00 0.00 C ATOM 1387 NZ LYS A 86 -10.475 -10.414 -16.398 1.00 0.00 N ATOM 0 H LYS A 86 -6.652 -6.623 -12.655 1.00 0.00 H new ATOM 0 HA LYS A 86 -6.920 -9.247 -13.914 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -6.562 -6.395 -14.871 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -6.339 -7.746 -15.965 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -8.870 -7.584 -14.341 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -8.686 -6.546 -15.741 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -8.499 -8.385 -17.237 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -8.133 -9.515 -15.948 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -10.553 -8.764 -15.072 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -10.785 -8.350 -16.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -11.493 -10.607 -16.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -10.172 -10.617 -17.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -9.946 -11.019 -15.737 1.00 0.00 H new ATOM 1401 N GLY A 87 -4.075 -7.616 -13.597 1.00 0.00 N ATOM 1402 CA GLY A 87 -2.635 -7.781 -13.672 1.00 0.00 C ATOM 1403 C GLY A 87 -1.954 -6.618 -14.366 1.00 0.00 C ATOM 1404 O GLY A 87 -1.008 -6.810 -15.130 1.00 0.00 O ATOM 0 H GLY A 87 -4.385 -6.726 -13.206 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -2.231 -7.886 -12.665 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -2.405 -8.703 -14.205 1.00 0.00 H new ATOM 1408 N ARG A 88 -2.438 -5.408 -14.103 1.00 0.00 N ATOM 1409 CA ARG A 88 -1.871 -4.210 -14.710 1.00 0.00 C ATOM 1410 C ARG A 88 -0.828 -3.578 -13.794 1.00 0.00 C ATOM 1411 O ARG A 88 -1.142 -3.146 -12.685 1.00 0.00 O ATOM 1412 CB ARG A 88 -2.976 -3.198 -15.019 1.00 0.00 C ATOM 1413 CG ARG A 88 -3.861 -3.599 -16.188 1.00 0.00 C ATOM 1414 CD ARG A 88 -4.483 -2.385 -16.858 1.00 0.00 C ATOM 1415 NE ARG A 88 -5.577 -1.825 -16.070 1.00 0.00 N ATOM 1416 CZ ARG A 88 -5.931 -0.545 -16.108 1.00 0.00 C ATOM 1417 NH1 ARG A 88 -5.280 0.303 -16.893 1.00 0.00 N ATOM 1418 NH2 ARG A 88 -6.937 -0.110 -15.361 1.00 0.00 N ATOM 0 H ARG A 88 -3.221 -5.232 -13.474 1.00 0.00 H new ATOM 0 HA ARG A 88 -1.383 -4.500 -15.641 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -3.597 -3.069 -14.132 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -2.521 -2.231 -15.234 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -3.272 -4.156 -16.917 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -4.649 -4.266 -15.837 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -3.718 -1.623 -17.009 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -4.853 -2.665 -17.844 1.00 0.00 H new ATOM 0 HE ARG A 88 -6.098 -2.451 -15.456 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -4.506 -0.027 -17.469 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -5.554 1.285 -16.921 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -7.440 -0.759 -14.756 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -7.207 0.873 -15.392 1.00 0.00 H new ATOM 1432 N TRP A 89 0.413 -3.526 -14.266 1.00 0.00 N ATOM 1433 CA TRP A 89 1.502 -2.947 -13.489 1.00 0.00 C ATOM 1434 C TRP A 89 2.501 -2.236 -14.396 1.00 0.00 C ATOM 1435 O TRP A 89 2.571 -2.512 -15.593 1.00 0.00 O ATOM 1436 CB TRP A 89 2.213 -4.033 -12.680 1.00 0.00 C ATOM 1437 CG TRP A 89 2.930 -5.036 -13.533 1.00 0.00 C ATOM 1438 CD1 TRP A 89 2.467 -6.259 -13.924 1.00 0.00 C ATOM 1439 CD2 TRP A 89 4.239 -4.900 -14.098 1.00 0.00 C ATOM 1440 NE1 TRP A 89 3.409 -6.893 -14.699 1.00 0.00 N ATOM 1441 CE2 TRP A 89 4.505 -6.080 -14.821 1.00 0.00 C ATOM 1442 CE3 TRP A 89 5.211 -3.897 -14.065 1.00 0.00 C ATOM 1443 CZ2 TRP A 89 5.702 -6.281 -15.502 1.00 0.00 C ATOM 1444 CZ3 TRP A 89 6.399 -4.098 -14.742 1.00 0.00 C ATOM 1445 CH2 TRP A 89 6.636 -5.282 -15.453 1.00 0.00 C ATOM 0 H TRP A 89 0.689 -3.878 -15.183 1.00 0.00 H new ATOM 0 HA TRP A 89 1.076 -2.214 -12.804 1.00 0.00 H new ATOM 0 HB2 TRP A 89 2.928 -3.563 -12.005 1.00 0.00 H new ATOM 0 HB3 TRP A 89 1.482 -4.551 -12.059 1.00 0.00 H new ATOM 0 HD1 TRP A 89 1.502 -6.668 -13.663 1.00 0.00 H new ATOM 0 HE1 TRP A 89 3.308 -7.819 -15.116 1.00 0.00 H new ATOM 0 HE3 TRP A 89 5.037 -2.981 -13.520 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 5.887 -7.193 -16.050 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 7.158 -3.329 -14.723 1.00 0.00 H new ATOM 0 HH2 TRP A 89 7.574 -5.409 -15.973 1.00 0.00 H new ATOM 1456 N GLY A 90 3.272 -1.321 -13.818 1.00 0.00 N ATOM 1457 CA GLY A 90 4.256 -0.585 -14.591 1.00 0.00 C ATOM 1458 C GLY A 90 3.883 0.873 -14.766 1.00 0.00 C ATOM 1459 O GLY A 90 4.751 1.746 -14.780 1.00 0.00 O ATOM 0 H GLY A 90 3.233 -1.076 -12.829 1.00 0.00 H new ATOM 0 HA2 GLY A 90 5.225 -0.652 -14.097 1.00 0.00 H new ATOM 0 HA3 GLY A 90 4.365 -1.049 -15.571 1.00 0.00 H new ATOM 1463 N SER A 91 2.588 1.139 -14.903 1.00 0.00 N ATOM 1464 CA SER A 91 2.102 2.502 -15.085 1.00 0.00 C ATOM 1465 C SER A 91 2.046 3.241 -13.751 1.00 0.00 C ATOM 1466 O SER A 91 2.197 2.638 -12.689 1.00 0.00 O ATOM 1467 CB SER A 91 0.717 2.490 -15.733 1.00 0.00 C ATOM 1468 OG SER A 91 -0.230 1.841 -14.902 1.00 0.00 O ATOM 0 H SER A 91 1.856 0.429 -14.891 1.00 0.00 H new ATOM 0 HA SER A 91 2.797 3.025 -15.742 1.00 0.00 H new ATOM 0 HB2 SER A 91 0.394 3.513 -15.927 1.00 0.00 H new ATOM 0 HB3 SER A 91 0.767 1.983 -16.697 1.00 0.00 H new ATOM 0 HG SER A 91 -1.107 1.848 -15.338 1.00 0.00 H new ATOM 1474 N GLU A 92 1.828 4.551 -13.817 1.00 0.00 N ATOM 1475 CA GLU A 92 1.753 5.372 -12.614 1.00 0.00 C ATOM 1476 C GLU A 92 0.371 6.003 -12.472 1.00 0.00 C ATOM 1477 O GLU A 92 0.191 6.969 -11.732 1.00 0.00 O ATOM 1478 CB GLU A 92 2.824 6.465 -12.649 1.00 0.00 C ATOM 1479 CG GLU A 92 2.538 7.565 -13.657 1.00 0.00 C ATOM 1480 CD GLU A 92 3.331 8.828 -13.383 1.00 0.00 C ATOM 1481 OE1 GLU A 92 3.026 9.513 -12.384 1.00 0.00 O ATOM 1482 OE2 GLU A 92 4.255 9.132 -14.166 1.00 0.00 O ATOM 0 H GLU A 92 1.701 5.065 -14.689 1.00 0.00 H new ATOM 0 HA GLU A 92 1.929 4.728 -11.753 1.00 0.00 H new ATOM 0 HB2 GLU A 92 2.912 6.907 -11.657 1.00 0.00 H new ATOM 0 HB3 GLU A 92 3.787 6.011 -12.883 1.00 0.00 H new ATOM 0 HG2 GLU A 92 2.771 7.204 -14.659 1.00 0.00 H new ATOM 0 HG3 GLU A 92 1.473 7.798 -13.642 1.00 0.00 H new ATOM 1489 N ASN A 93 -0.602 5.450 -13.189 1.00 0.00 N ATOM 1490 CA ASN A 93 -1.968 5.959 -13.144 1.00 0.00 C ATOM 1491 C ASN A 93 -2.776 5.254 -12.059 1.00 0.00 C ATOM 1492 O ASN A 93 -3.180 4.102 -12.221 1.00 0.00 O ATOM 1493 CB ASN A 93 -2.648 5.775 -14.503 1.00 0.00 C ATOM 1494 CG ASN A 93 -3.785 6.755 -14.718 1.00 0.00 C ATOM 1495 OD1 ASN A 93 -3.966 7.693 -13.941 1.00 0.00 O ATOM 1496 ND2 ASN A 93 -4.558 6.541 -15.776 1.00 0.00 N ATOM 0 H ASN A 93 -0.470 4.650 -13.808 1.00 0.00 H new ATOM 0 HA ASN A 93 -1.925 7.022 -12.907 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -1.910 5.900 -15.295 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -3.030 4.757 -14.580 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -5.339 7.167 -15.972 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -4.371 5.751 -16.393 1.00 0.00 H new ATOM 1503 N VAL A 94 -3.009 5.953 -10.953 1.00 0.00 N ATOM 1504 CA VAL A 94 -3.771 5.396 -9.842 1.00 0.00 C ATOM 1505 C VAL A 94 -4.475 6.493 -9.053 1.00 0.00 C ATOM 1506 O VAL A 94 -3.964 7.606 -8.925 1.00 0.00 O ATOM 1507 CB VAL A 94 -2.866 4.593 -8.888 1.00 0.00 C ATOM 1508 CG1 VAL A 94 -2.242 3.410 -9.613 1.00 0.00 C ATOM 1509 CG2 VAL A 94 -1.792 5.491 -8.293 1.00 0.00 C ATOM 0 H VAL A 94 -2.681 6.907 -10.802 1.00 0.00 H new ATOM 0 HA VAL A 94 -4.516 4.728 -10.273 1.00 0.00 H new ATOM 0 HB VAL A 94 -3.478 4.207 -8.073 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -1.606 2.855 -8.923 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -3.030 2.756 -9.987 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -1.642 3.771 -10.449 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -1.161 4.908 -7.622 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -1.181 5.908 -9.094 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -2.263 6.302 -7.737 1.00 0.00 H new ATOM 1519 N ASP A 95 -5.651 6.172 -8.524 1.00 0.00 N ATOM 1520 CA ASP A 95 -6.426 7.131 -7.745 1.00 0.00 C ATOM 1521 C ASP A 95 -7.064 6.457 -6.534 1.00 0.00 C ATOM 1522 O ASP A 95 -6.925 5.250 -6.338 1.00 0.00 O ATOM 1523 CB ASP A 95 -7.507 7.773 -8.616 1.00 0.00 C ATOM 1524 CG ASP A 95 -6.939 8.781 -9.595 1.00 0.00 C ATOM 1525 OD1 ASP A 95 -5.995 9.506 -9.219 1.00 0.00 O ATOM 1526 OD2 ASP A 95 -7.439 8.845 -10.738 1.00 0.00 O ATOM 0 H ASP A 95 -6.088 5.256 -8.620 1.00 0.00 H new ATOM 0 HA ASP A 95 -5.748 7.907 -7.391 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -8.036 6.995 -9.166 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -8.240 8.265 -7.977 1.00 0.00 H new ATOM 1531 N ASP A 96 -7.764 7.246 -5.726 1.00 0.00 N ATOM 1532 CA ASP A 96 -8.424 6.726 -4.533 1.00 0.00 C ATOM 1533 C ASP A 96 -9.746 6.056 -4.893 1.00 0.00 C ATOM 1534 O ASP A 96 -10.565 5.769 -4.021 1.00 0.00 O ATOM 1535 CB ASP A 96 -8.665 7.851 -3.526 1.00 0.00 C ATOM 1536 CG ASP A 96 -9.855 8.715 -3.897 1.00 0.00 C ATOM 1537 OD1 ASP A 96 -11.001 8.253 -3.717 1.00 0.00 O ATOM 1538 OD2 ASP A 96 -9.640 9.851 -4.368 1.00 0.00 O ATOM 0 H ASP A 96 -7.889 8.247 -5.875 1.00 0.00 H new ATOM 0 HA ASP A 96 -7.770 5.980 -4.082 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -8.826 7.421 -2.537 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -7.773 8.474 -3.462 1.00 0.00 H new ATOM 1543 N ASN A 97 -9.948 5.810 -6.183 1.00 0.00 N ATOM 1544 CA ASN A 97 -11.172 5.175 -6.659 1.00 0.00 C ATOM 1545 C ASN A 97 -11.364 3.809 -6.007 1.00 0.00 C ATOM 1546 O ASN A 97 -10.529 3.361 -5.222 1.00 0.00 O ATOM 1547 CB ASN A 97 -11.135 5.026 -8.181 1.00 0.00 C ATOM 1548 CG ASN A 97 -10.881 6.344 -8.885 1.00 0.00 C ATOM 1549 OD1 ASN A 97 -11.211 7.411 -8.368 1.00 0.00 O ATOM 1550 ND2 ASN A 97 -10.291 6.276 -10.073 1.00 0.00 N ATOM 0 H ASN A 97 -9.280 6.041 -6.918 1.00 0.00 H new ATOM 0 HA ASN A 97 -12.013 5.811 -6.384 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -10.356 4.315 -8.455 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -12.082 4.610 -8.526 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -10.094 7.130 -10.594 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -10.034 5.369 -10.464 1.00 0.00 H new ATOM 1557 N ASN A 98 -12.472 3.153 -6.338 1.00 0.00 N ATOM 1558 CA ASN A 98 -12.775 1.838 -5.785 1.00 0.00 C ATOM 1559 C ASN A 98 -12.114 0.736 -6.608 1.00 0.00 C ATOM 1560 O ASN A 98 -12.497 -0.430 -6.521 1.00 0.00 O ATOM 1561 CB ASN A 98 -14.288 1.617 -5.738 1.00 0.00 C ATOM 1562 CG ASN A 98 -14.982 2.102 -6.997 1.00 0.00 C ATOM 1563 OD1 ASN A 98 -14.710 1.439 -8.115 1.00 0.00 O flip ATOM 1564 ND2 ASN A 98 -15.752 3.061 -6.964 1.00 0.00 N flip ATOM 0 H ASN A 98 -13.174 3.510 -6.986 1.00 0.00 H new ATOM 0 HA ASN A 98 -12.377 1.798 -4.771 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -14.493 0.556 -5.599 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -14.702 2.138 -4.874 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -15.932 3.541 -6.082 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -16.211 3.376 -7.819 1.00 0.00 H new ATOM 1571 N GLN A 99 -11.121 1.116 -7.406 1.00 0.00 N ATOM 1572 CA GLN A 99 -10.408 0.160 -8.245 1.00 0.00 C ATOM 1573 C GLN A 99 -9.751 -0.925 -7.397 1.00 0.00 C ATOM 1574 O GLN A 99 -8.994 -0.631 -6.471 1.00 0.00 O ATOM 1575 CB GLN A 99 -9.349 0.877 -9.085 1.00 0.00 C ATOM 1576 CG GLN A 99 -9.933 1.732 -10.198 1.00 0.00 C ATOM 1577 CD GLN A 99 -8.895 2.142 -11.224 1.00 0.00 C ATOM 1578 OE1 GLN A 99 -8.713 1.472 -12.242 1.00 0.00 O ATOM 1579 NE2 GLN A 99 -8.208 3.247 -10.962 1.00 0.00 N ATOM 0 H GLN A 99 -10.792 2.078 -7.489 1.00 0.00 H new ATOM 0 HA GLN A 99 -11.132 -0.312 -8.910 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -8.745 1.507 -8.432 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -8.679 0.136 -9.521 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -10.731 1.180 -10.695 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -10.384 2.625 -9.766 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -8.392 3.771 -10.106 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -7.496 3.572 -11.616 1.00 0.00 H new ATOM 1588 N LEU A 100 -10.047 -2.180 -7.718 1.00 0.00 N ATOM 1589 CA LEU A 100 -9.486 -3.310 -6.986 1.00 0.00 C ATOM 1590 C LEU A 100 -8.004 -3.483 -7.303 1.00 0.00 C ATOM 1591 O LEU A 100 -7.547 -3.137 -8.393 1.00 0.00 O ATOM 1592 CB LEU A 100 -10.246 -4.592 -7.328 1.00 0.00 C ATOM 1593 CG LEU A 100 -11.609 -4.764 -6.657 1.00 0.00 C ATOM 1594 CD1 LEU A 100 -12.374 -5.917 -7.289 1.00 0.00 C ATOM 1595 CD2 LEU A 100 -11.443 -4.988 -5.161 1.00 0.00 C ATOM 0 H LEU A 100 -10.672 -2.440 -8.480 1.00 0.00 H new ATOM 0 HA LEU A 100 -9.589 -3.108 -5.920 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -10.388 -4.629 -8.408 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -9.621 -5.444 -7.059 1.00 0.00 H new ATOM 0 HG LEU A 100 -12.183 -3.849 -6.806 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -13.341 -6.024 -6.798 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -12.525 -5.715 -8.349 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -11.804 -6.839 -7.173 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -12.423 -5.108 -4.700 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -10.850 -5.886 -4.991 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -10.937 -4.130 -4.719 1.00 0.00 H new ATOM 1607 N PHE A 101 -7.258 -4.023 -6.345 1.00 0.00 N ATOM 1608 CA PHE A 101 -5.828 -4.243 -6.523 1.00 0.00 C ATOM 1609 C PHE A 101 -5.387 -5.532 -5.835 1.00 0.00 C ATOM 1610 O PHE A 101 -6.150 -6.140 -5.084 1.00 0.00 O ATOM 1611 CB PHE A 101 -5.034 -3.059 -5.967 1.00 0.00 C ATOM 1612 CG PHE A 101 -4.977 -1.885 -6.902 1.00 0.00 C ATOM 1613 CD1 PHE A 101 -4.037 -1.837 -7.919 1.00 0.00 C ATOM 1614 CD2 PHE A 101 -5.864 -0.829 -6.765 1.00 0.00 C ATOM 1615 CE1 PHE A 101 -3.982 -0.757 -8.780 1.00 0.00 C ATOM 1616 CE2 PHE A 101 -5.814 0.253 -7.623 1.00 0.00 C ATOM 1617 CZ PHE A 101 -4.872 0.289 -8.632 1.00 0.00 C ATOM 0 H PHE A 101 -7.620 -4.316 -5.438 1.00 0.00 H new ATOM 0 HA PHE A 101 -5.630 -4.334 -7.591 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -5.481 -2.742 -5.025 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -4.018 -3.385 -5.744 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -3.339 -2.653 -8.040 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -6.603 -0.852 -5.978 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -3.244 -0.731 -9.568 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -6.511 1.070 -7.505 1.00 0.00 H new ATOM 0 HZ PHE A 101 -4.831 1.133 -9.304 1.00 0.00 H new ATOM 1627 N ARG A 102 -4.151 -5.943 -6.099 1.00 0.00 N ATOM 1628 CA ARG A 102 -3.608 -7.161 -5.508 1.00 0.00 C ATOM 1629 C ARG A 102 -2.085 -7.181 -5.607 1.00 0.00 C ATOM 1630 O ARG A 102 -1.478 -6.275 -6.178 1.00 0.00 O ATOM 1631 CB ARG A 102 -4.191 -8.393 -6.201 1.00 0.00 C ATOM 1632 CG ARG A 102 -4.002 -8.391 -7.709 1.00 0.00 C ATOM 1633 CD ARG A 102 -4.497 -9.686 -8.334 1.00 0.00 C ATOM 1634 NE ARG A 102 -3.633 -10.817 -8.007 1.00 0.00 N ATOM 1635 CZ ARG A 102 -3.794 -11.576 -6.929 1.00 0.00 C ATOM 1636 NH1 ARG A 102 -4.781 -11.327 -6.080 1.00 0.00 N ATOM 1637 NH2 ARG A 102 -2.966 -12.588 -6.700 1.00 0.00 N ATOM 0 H ARG A 102 -3.507 -5.451 -6.718 1.00 0.00 H new ATOM 0 HA ARG A 102 -3.887 -7.179 -4.454 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -3.725 -9.287 -5.786 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -5.256 -8.455 -5.977 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -4.539 -7.548 -8.143 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -2.947 -8.252 -7.944 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -5.510 -9.892 -7.988 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -4.548 -9.570 -9.417 1.00 0.00 H new ATOM 0 HE ARG A 102 -2.864 -11.036 -8.641 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -5.419 -10.551 -6.254 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -4.902 -11.912 -5.253 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -2.206 -12.783 -7.352 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -3.090 -13.171 -5.872 1.00 0.00 H new ATOM 1651 N PHE A 103 -1.475 -8.220 -5.046 1.00 0.00 N ATOM 1652 CA PHE A 103 -0.023 -8.357 -5.069 1.00 0.00 C ATOM 1653 C PHE A 103 0.414 -9.311 -6.177 1.00 0.00 C ATOM 1654 O PHE A 103 -0.219 -10.335 -6.436 1.00 0.00 O ATOM 1655 CB PHE A 103 0.484 -8.862 -3.717 1.00 0.00 C ATOM 1656 CG PHE A 103 1.861 -8.370 -3.372 1.00 0.00 C ATOM 1657 CD1 PHE A 103 2.137 -7.013 -3.335 1.00 0.00 C ATOM 1658 CD2 PHE A 103 2.879 -9.265 -3.086 1.00 0.00 C ATOM 1659 CE1 PHE A 103 3.403 -6.557 -3.018 1.00 0.00 C ATOM 1660 CE2 PHE A 103 4.146 -8.815 -2.767 1.00 0.00 C ATOM 1661 CZ PHE A 103 4.409 -7.459 -2.734 1.00 0.00 C ATOM 0 H PHE A 103 -1.963 -8.979 -4.570 1.00 0.00 H new ATOM 0 HA PHE A 103 0.407 -7.375 -5.267 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -0.211 -8.549 -2.937 1.00 0.00 H new ATOM 0 HB3 PHE A 103 0.487 -9.952 -3.723 1.00 0.00 H new ATOM 0 HD1 PHE A 103 1.354 -6.303 -3.556 1.00 0.00 H new ATOM 0 HD2 PHE A 103 2.680 -10.326 -3.113 1.00 0.00 H new ATOM 0 HE1 PHE A 103 3.605 -5.496 -2.993 1.00 0.00 H new ATOM 0 HE2 PHE A 103 4.930 -9.523 -2.544 1.00 0.00 H new ATOM 0 HZ PHE A 103 5.399 -7.105 -2.487 1.00 0.00 H new ATOM 1671 N PRO A 104 1.524 -8.967 -6.849 1.00 0.00 N ATOM 1672 CA PRO A 104 2.072 -9.779 -7.940 1.00 0.00 C ATOM 1673 C PRO A 104 2.661 -11.095 -7.444 1.00 0.00 C ATOM 1674 O PRO A 104 2.741 -11.336 -6.240 1.00 0.00 O ATOM 1675 CB PRO A 104 3.170 -8.888 -8.526 1.00 0.00 C ATOM 1676 CG PRO A 104 3.573 -7.995 -7.404 1.00 0.00 C ATOM 1677 CD PRO A 104 2.329 -7.761 -6.594 1.00 0.00 C ATOM 0 HA PRO A 104 1.306 -10.065 -8.661 1.00 0.00 H new ATOM 0 HB2 PRO A 104 4.013 -9.481 -8.882 1.00 0.00 H new ATOM 0 HB3 PRO A 104 2.802 -8.314 -9.376 1.00 0.00 H new ATOM 0 HG2 PRO A 104 4.352 -8.457 -6.798 1.00 0.00 H new ATOM 0 HG3 PRO A 104 3.977 -7.055 -7.779 1.00 0.00 H new ATOM 0 HD2 PRO A 104 2.555 -7.646 -5.534 1.00 0.00 H new ATOM 0 HD3 PRO A 104 1.809 -6.857 -6.909 1.00 0.00 H new ATOM 1685 N ALA A 105 3.073 -11.943 -8.380 1.00 0.00 N ATOM 1686 CA ALA A 105 3.658 -13.234 -8.038 1.00 0.00 C ATOM 1687 C ALA A 105 5.181 -13.175 -8.079 1.00 0.00 C ATOM 1688 O ALA A 105 5.761 -12.310 -8.737 1.00 0.00 O ATOM 1689 CB ALA A 105 3.144 -14.312 -8.980 1.00 0.00 C ATOM 0 H ALA A 105 3.013 -11.759 -9.382 1.00 0.00 H new ATOM 0 HA ALA A 105 3.358 -13.483 -7.020 1.00 0.00 H new ATOM 0 HB1 ALA A 105 3.589 -15.271 -8.713 1.00 0.00 H new ATOM 0 HB2 ALA A 105 2.059 -14.380 -8.898 1.00 0.00 H new ATOM 0 HB3 ALA A 105 3.415 -14.059 -10.005 1.00 0.00 H new