USER MOD reduce.3.24.130724 H: found=0, std=0, add=564, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 566 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 62 CYS SG : rot 135:sc= 1.33 USER MOD Set 1.2: A 64 TYR OH : rot -90:sc= 0.0294 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 85:sc= 1.21 USER MOD Single : A 22 ASN : amide:sc= 0.479 K(o=0.48,f=-4.3!) USER MOD Single : A 25 TYR OH : rot -80:sc=0.000375 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.0764 USER MOD Single : A 31 GLN : amide:sc= -0.0953 K(o=-0.095,f=-1.3) USER MOD Single : A 33 LYS NZ :NH3+ -175:sc= 1.25 (180deg=1.03) USER MOD Single : A 37 SER OG : rot -38:sc= 1.25 USER MOD Single : A 44 SER OG : rot -108:sc= 0.169 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= -0.0508 K(o=-0.051,f=-1.1) USER MOD Single : A 67 GLN : amide:sc= 0 K(o=0,f=-0.84) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.111 USER MOD Single : A 72 SER OG : rot 68:sc= 0.26 USER MOD Single : A 74 MET CE :methyl 130:sc= -0.0154 (180deg=-0.299) USER MOD Single : A 76 ASN : amide:sc= -0.0546 K(o=-0.055,f=-1.5!) USER MOD Single : A 78 ASN : amide:sc= -0.279 K(o=-0.28,f=-4.6!) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= 0.269 K(o=0.27,f=-11!) USER MOD ----------------------------------------------------------------- ATOM 160 N ASP A 12 -1.587 -3.402 -9.142 1.00 0.00 N ATOM 161 CA ASP A 12 -2.320 -4.135 -8.117 1.00 0.00 C ATOM 162 C ASP A 12 -2.287 -5.634 -8.383 1.00 0.00 C ATOM 163 O ASP A 12 -2.203 -6.438 -7.454 1.00 0.00 O ATOM 164 CB ASP A 12 -3.771 -3.654 -8.047 1.00 0.00 C ATOM 165 CG ASP A 12 -3.909 -2.274 -7.419 1.00 0.00 C ATOM 166 OD1 ASP A 12 -2.977 -1.834 -6.788 1.00 0.00 O ATOM 167 OD2 ASP A 12 -4.944 -1.672 -7.576 1.00 0.00 O ATOM 0 HA ASP A 12 -1.833 -3.943 -7.161 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -4.190 -3.633 -9.053 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -4.358 -4.370 -7.472 1.00 0.00 H new ATOM 172 N ARG A 13 -2.355 -6.006 -9.657 1.00 0.00 N ATOM 173 CA ARG A 13 -2.264 -7.406 -10.053 1.00 0.00 C ATOM 174 C ARG A 13 -0.891 -7.982 -9.728 1.00 0.00 C ATOM 175 O ARG A 13 -0.774 -9.134 -9.311 1.00 0.00 O ATOM 176 CB ARG A 13 -2.535 -7.560 -11.542 1.00 0.00 C ATOM 177 CG ARG A 13 -3.976 -7.311 -11.958 1.00 0.00 C ATOM 178 CD ARG A 13 -4.212 -7.691 -13.375 1.00 0.00 C ATOM 179 NE ARG A 13 -4.120 -9.129 -13.574 1.00 0.00 N ATOM 180 CZ ARG A 13 -4.045 -9.732 -14.776 1.00 0.00 C ATOM 181 NH1 ARG A 13 -4.051 -9.010 -15.875 1.00 0.00 N ATOM 182 NH2 ARG A 13 -3.964 -11.049 -14.851 1.00 0.00 N ATOM 0 H ARG A 13 -2.473 -5.356 -10.434 1.00 0.00 H new ATOM 0 HA ARG A 13 -3.018 -7.955 -9.489 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -1.890 -6.871 -12.087 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -2.253 -8.568 -11.846 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -4.645 -7.880 -11.312 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -4.218 -6.257 -11.818 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -5.198 -7.344 -13.684 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -3.483 -7.189 -14.012 1.00 0.00 H new ATOM 0 HE ARG A 13 -4.112 -9.723 -12.745 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -4.112 -7.994 -15.817 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -3.994 -9.466 -16.785 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -3.958 -11.609 -13.998 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -3.907 -11.505 -15.761 1.00 0.00 H new ATOM 196 N SER A 14 0.145 -7.173 -9.921 1.00 0.00 N ATOM 197 CA SER A 14 1.506 -7.579 -9.592 1.00 0.00 C ATOM 198 C SER A 14 1.688 -7.728 -8.087 1.00 0.00 C ATOM 199 O SER A 14 2.383 -8.631 -7.622 1.00 0.00 O ATOM 200 CB SER A 14 2.498 -6.568 -10.132 1.00 0.00 C ATOM 201 OG SER A 14 2.475 -6.542 -11.533 1.00 0.00 O ATOM 0 H SER A 14 0.068 -6.231 -10.304 1.00 0.00 H new ATOM 0 HA SER A 14 1.689 -8.548 -10.056 1.00 0.00 H new ATOM 0 HB2 SER A 14 2.262 -5.578 -9.742 1.00 0.00 H new ATOM 0 HB3 SER A 14 3.501 -6.816 -9.786 1.00 0.00 H new ATOM 0 HG SER A 14 3.122 -5.881 -11.859 1.00 0.00 H new ATOM 207 N LEU A 15 1.059 -6.836 -7.329 1.00 0.00 N ATOM 208 CA LEU A 15 1.165 -6.855 -5.875 1.00 0.00 C ATOM 209 C LEU A 15 0.472 -8.078 -5.288 1.00 0.00 C ATOM 210 O LEU A 15 0.957 -8.677 -4.328 1.00 0.00 O ATOM 211 CB LEU A 15 0.552 -5.580 -5.282 1.00 0.00 C ATOM 212 CG LEU A 15 1.344 -4.288 -5.522 1.00 0.00 C ATOM 213 CD1 LEU A 15 0.506 -3.091 -5.092 1.00 0.00 C ATOM 214 CD2 LEU A 15 2.654 -4.344 -4.750 1.00 0.00 C ATOM 0 H LEU A 15 0.470 -6.090 -7.698 1.00 0.00 H new ATOM 0 HA LEU A 15 2.223 -6.902 -5.618 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -0.448 -5.453 -5.696 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.437 -5.720 -4.207 1.00 0.00 H new ATOM 0 HG LEU A 15 1.574 -4.184 -6.582 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.068 -2.173 -5.262 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.416 -3.065 -5.673 1.00 0.00 H new ATOM 0 HD13 LEU A 15 0.265 -3.177 -4.033 1.00 0.00 H new ATOM 0 HD21 LEU A 15 3.216 -3.426 -4.921 1.00 0.00 H new ATOM 0 HD22 LEU A 15 2.445 -4.449 -3.685 1.00 0.00 H new ATOM 0 HD23 LEU A 15 3.241 -5.197 -5.090 1.00 0.00 H new ATOM 226 N ARG A 16 -0.664 -8.446 -5.872 1.00 0.00 N ATOM 227 CA ARG A 16 -1.443 -9.578 -5.386 1.00 0.00 C ATOM 228 C ARG A 16 -0.970 -10.882 -6.015 1.00 0.00 C ATOM 229 O ARG A 16 -1.532 -11.947 -5.758 1.00 0.00 O ATOM 230 CB ARG A 16 -2.921 -9.380 -5.689 1.00 0.00 C ATOM 231 CG ARG A 16 -3.303 -9.550 -7.151 1.00 0.00 C ATOM 232 CD ARG A 16 -4.705 -9.132 -7.405 1.00 0.00 C ATOM 233 NE ARG A 16 -5.133 -9.460 -8.755 1.00 0.00 N ATOM 234 CZ ARG A 16 -6.373 -9.247 -9.238 1.00 0.00 C ATOM 235 NH1 ARG A 16 -7.294 -8.707 -8.470 1.00 0.00 N ATOM 236 NH2 ARG A 16 -6.664 -9.581 -10.483 1.00 0.00 N ATOM 0 H ARG A 16 -1.065 -7.976 -6.683 1.00 0.00 H new ATOM 0 HA ARG A 16 -1.299 -9.636 -4.307 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -3.497 -10.088 -5.093 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -3.212 -8.381 -5.366 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -2.629 -8.961 -7.774 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -3.176 -10.593 -7.441 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -5.365 -9.619 -6.687 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -4.798 -8.058 -7.246 1.00 0.00 H new ATOM 0 HE ARG A 16 -4.446 -9.881 -9.381 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -7.070 -8.449 -7.509 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -8.233 -8.546 -8.836 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -5.950 -10.000 -11.079 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -7.603 -9.420 -10.848 1.00 0.00 H new ATOM 250 N SER A 17 0.068 -10.793 -6.840 1.00 0.00 N ATOM 251 CA SER A 17 0.712 -11.979 -7.392 1.00 0.00 C ATOM 252 C SER A 17 2.003 -12.301 -6.651 1.00 0.00 C ATOM 253 O SER A 17 2.671 -11.407 -6.132 1.00 0.00 O ATOM 254 CB SER A 17 1.002 -11.777 -8.867 1.00 0.00 C ATOM 255 OG SER A 17 -0.186 -11.665 -9.601 1.00 0.00 O ATOM 0 H SER A 17 0.482 -9.911 -7.141 1.00 0.00 H new ATOM 0 HA SER A 17 0.029 -12.820 -7.269 1.00 0.00 H new ATOM 0 HB2 SER A 17 1.604 -10.879 -9.003 1.00 0.00 H new ATOM 0 HB3 SER A 17 1.589 -12.614 -9.244 1.00 0.00 H new ATOM 0 HG SER A 17 -0.500 -10.737 -9.575 1.00 0.00 H new ATOM 261 N VAL A 18 2.349 -13.583 -6.605 1.00 0.00 N ATOM 262 CA VAL A 18 3.597 -14.018 -5.988 1.00 0.00 C ATOM 263 C VAL A 18 4.416 -14.873 -6.946 1.00 0.00 C ATOM 264 O VAL A 18 3.873 -15.493 -7.860 1.00 0.00 O ATOM 265 CB VAL A 18 3.307 -14.823 -4.707 1.00 0.00 C ATOM 266 CG1 VAL A 18 2.552 -13.967 -3.700 1.00 0.00 C ATOM 267 CG2 VAL A 18 2.516 -16.076 -5.050 1.00 0.00 C ATOM 0 H VAL A 18 1.782 -14.340 -6.988 1.00 0.00 H new ATOM 0 HA VAL A 18 4.172 -13.126 -5.738 1.00 0.00 H new ATOM 0 HB VAL A 18 4.253 -15.121 -4.255 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.355 -14.551 -2.801 1.00 0.00 H new ATOM 0 HG12 VAL A 18 3.152 -13.095 -3.442 1.00 0.00 H new ATOM 0 HG13 VAL A 18 1.607 -13.641 -4.135 1.00 0.00 H new ATOM 0 HG21 VAL A 18 2.315 -16.640 -4.139 1.00 0.00 H new ATOM 0 HG22 VAL A 18 1.573 -15.794 -5.518 1.00 0.00 H new ATOM 0 HG23 VAL A 18 3.093 -16.693 -5.739 1.00 0.00 H new ATOM 277 N PHE A 19 5.727 -14.901 -6.732 1.00 0.00 N ATOM 278 CA PHE A 19 6.609 -15.782 -7.489 1.00 0.00 C ATOM 279 C PHE A 19 6.942 -17.040 -6.698 1.00 0.00 C ATOM 280 O PHE A 19 7.466 -16.966 -5.587 1.00 0.00 O ATOM 281 CB PHE A 19 7.900 -15.052 -7.864 1.00 0.00 C ATOM 282 CG PHE A 19 8.837 -15.872 -8.704 1.00 0.00 C ATOM 283 CD1 PHE A 19 8.953 -15.640 -10.067 1.00 0.00 C ATOM 284 CD2 PHE A 19 9.605 -16.876 -8.134 1.00 0.00 C ATOM 285 CE1 PHE A 19 9.815 -16.394 -10.841 1.00 0.00 C ATOM 286 CE2 PHE A 19 10.468 -17.630 -8.905 1.00 0.00 C ATOM 287 CZ PHE A 19 10.573 -17.389 -10.260 1.00 0.00 C ATOM 0 H PHE A 19 6.203 -14.323 -6.039 1.00 0.00 H new ATOM 0 HA PHE A 19 6.084 -16.075 -8.398 1.00 0.00 H new ATOM 0 HB2 PHE A 19 7.647 -14.139 -8.404 1.00 0.00 H new ATOM 0 HB3 PHE A 19 8.414 -14.750 -6.951 1.00 0.00 H new ATOM 0 HD1 PHE A 19 8.363 -14.862 -10.528 1.00 0.00 H new ATOM 0 HD2 PHE A 19 9.527 -17.071 -7.075 1.00 0.00 H new ATOM 0 HE1 PHE A 19 9.895 -16.204 -11.901 1.00 0.00 H new ATOM 0 HE2 PHE A 19 11.061 -18.408 -8.448 1.00 0.00 H new ATOM 0 HZ PHE A 19 11.247 -17.978 -10.864 1.00 0.00 H new ATOM 297 N VAL A 20 6.635 -18.196 -7.278 1.00 0.00 N ATOM 298 CA VAL A 20 6.793 -19.467 -6.582 1.00 0.00 C ATOM 299 C VAL A 20 7.927 -20.288 -7.184 1.00 0.00 C ATOM 300 O VAL A 20 7.966 -20.517 -8.393 1.00 0.00 O ATOM 301 CB VAL A 20 5.485 -20.278 -6.648 1.00 0.00 C ATOM 302 CG1 VAL A 20 5.631 -21.587 -5.886 1.00 0.00 C ATOM 303 CG2 VAL A 20 4.336 -19.453 -6.089 1.00 0.00 C ATOM 0 H VAL A 20 6.275 -18.278 -8.229 1.00 0.00 H new ATOM 0 HA VAL A 20 7.035 -19.247 -5.542 1.00 0.00 H new ATOM 0 HB VAL A 20 5.268 -20.516 -7.689 1.00 0.00 H new ATOM 0 HG11 VAL A 20 4.698 -22.147 -5.943 1.00 0.00 H new ATOM 0 HG12 VAL A 20 6.435 -22.176 -6.326 1.00 0.00 H new ATOM 0 HG13 VAL A 20 5.865 -21.376 -4.842 1.00 0.00 H new ATOM 0 HG21 VAL A 20 3.414 -20.032 -6.139 1.00 0.00 H new ATOM 0 HG22 VAL A 20 4.546 -19.193 -5.051 1.00 0.00 H new ATOM 0 HG23 VAL A 20 4.224 -18.541 -6.676 1.00 0.00 H new ATOM 313 N GLY A 21 8.848 -20.728 -6.334 1.00 0.00 N ATOM 314 CA GLY A 21 9.983 -21.527 -6.780 1.00 0.00 C ATOM 315 C GLY A 21 10.151 -22.773 -5.921 1.00 0.00 C ATOM 316 O GLY A 21 9.371 -23.013 -5.000 1.00 0.00 O ATOM 0 H GLY A 21 8.831 -20.544 -5.331 1.00 0.00 H new ATOM 0 HA2 GLY A 21 9.841 -21.816 -7.821 1.00 0.00 H new ATOM 0 HA3 GLY A 21 10.892 -20.927 -6.737 1.00 0.00 H new ATOM 320 N ASN A 22 11.175 -23.563 -6.227 1.00 0.00 N ATOM 321 CA ASN A 22 11.394 -24.832 -5.544 1.00 0.00 C ATOM 322 C ASN A 22 10.194 -25.757 -5.700 1.00 0.00 C ATOM 323 O ASN A 22 9.762 -26.397 -4.742 1.00 0.00 O ATOM 324 CB ASN A 22 11.703 -24.601 -4.076 1.00 0.00 C ATOM 325 CG ASN A 22 13.027 -23.922 -3.864 1.00 0.00 C ATOM 326 OD1 ASN A 22 13.987 -24.160 -4.606 1.00 0.00 O ATOM 327 ND2 ASN A 22 13.098 -23.080 -2.864 1.00 0.00 N ATOM 0 H ASN A 22 11.867 -23.346 -6.944 1.00 0.00 H new ATOM 0 HA ASN A 22 12.253 -25.318 -6.007 1.00 0.00 H new ATOM 0 HB2 ASN A 22 10.913 -23.995 -3.633 1.00 0.00 H new ATOM 0 HB3 ASN A 22 11.702 -25.557 -3.553 1.00 0.00 H new ATOM 0 HD21 ASN A 22 13.971 -22.589 -2.671 1.00 0.00 H new ATOM 0 HD22 ASN A 22 12.280 -22.915 -2.278 1.00 0.00 H new ATOM 334 N ILE A 23 9.659 -25.824 -6.915 1.00 0.00 N ATOM 335 CA ILE A 23 8.544 -26.714 -7.213 1.00 0.00 C ATOM 336 C ILE A 23 9.036 -28.047 -7.764 1.00 0.00 C ATOM 337 O ILE A 23 9.757 -28.089 -8.761 1.00 0.00 O ATOM 338 CB ILE A 23 7.578 -26.066 -8.221 1.00 0.00 C ATOM 339 CG1 ILE A 23 7.017 -24.758 -7.658 1.00 0.00 C ATOM 340 CG2 ILE A 23 6.451 -27.026 -8.570 1.00 0.00 C ATOM 341 CD1 ILE A 23 6.296 -23.912 -8.682 1.00 0.00 C ATOM 0 H ILE A 23 9.981 -25.271 -7.710 1.00 0.00 H new ATOM 0 HA ILE A 23 8.014 -26.895 -6.278 1.00 0.00 H new ATOM 0 HB ILE A 23 8.130 -25.839 -9.133 1.00 0.00 H new ATOM 0 HG12 ILE A 23 6.331 -24.989 -6.843 1.00 0.00 H new ATOM 0 HG13 ILE A 23 7.834 -24.177 -7.231 1.00 0.00 H new ATOM 0 HG21 ILE A 23 5.777 -26.552 -9.284 1.00 0.00 H new ATOM 0 HG22 ILE A 23 6.868 -27.932 -9.011 1.00 0.00 H new ATOM 0 HG23 ILE A 23 5.899 -27.283 -7.666 1.00 0.00 H new ATOM 0 HD11 ILE A 23 5.927 -23.002 -8.208 1.00 0.00 H new ATOM 0 HD12 ILE A 23 6.984 -23.649 -9.486 1.00 0.00 H new ATOM 0 HD13 ILE A 23 5.456 -24.474 -9.092 1.00 0.00 H new ATOM 353 N PRO A 24 8.641 -29.134 -7.110 1.00 0.00 N ATOM 354 CA PRO A 24 8.992 -30.473 -7.567 1.00 0.00 C ATOM 355 C PRO A 24 8.580 -30.685 -9.018 1.00 0.00 C ATOM 356 O PRO A 24 7.485 -30.297 -9.426 1.00 0.00 O ATOM 357 CB PRO A 24 8.202 -31.379 -6.618 1.00 0.00 C ATOM 358 CG PRO A 24 8.059 -30.570 -5.374 1.00 0.00 C ATOM 359 CD PRO A 24 7.848 -29.163 -5.866 1.00 0.00 C ATOM 0 HA PRO A 24 10.064 -30.669 -7.547 1.00 0.00 H new ATOM 0 HB2 PRO A 24 7.230 -31.642 -7.036 1.00 0.00 H new ATOM 0 HB3 PRO A 24 8.731 -32.313 -6.427 1.00 0.00 H new ATOM 0 HG2 PRO A 24 7.217 -30.911 -4.772 1.00 0.00 H new ATOM 0 HG3 PRO A 24 8.948 -30.643 -4.748 1.00 0.00 H new ATOM 0 HD2 PRO A 24 6.795 -28.952 -6.052 1.00 0.00 H new ATOM 0 HD3 PRO A 24 8.198 -28.425 -5.145 1.00 0.00 H new ATOM 367 N TYR A 25 9.464 -31.302 -9.795 1.00 0.00 N ATOM 368 CA TYR A 25 9.193 -31.570 -11.202 1.00 0.00 C ATOM 369 C TYR A 25 8.100 -32.620 -11.362 1.00 0.00 C ATOM 370 O TYR A 25 7.522 -32.769 -12.438 1.00 0.00 O ATOM 371 CB TYR A 25 10.469 -32.020 -11.917 1.00 0.00 C ATOM 372 CG TYR A 25 10.916 -33.417 -11.547 1.00 0.00 C ATOM 373 CD1 TYR A 25 10.462 -34.506 -12.275 1.00 0.00 C ATOM 374 CD2 TYR A 25 11.781 -33.608 -10.479 1.00 0.00 C ATOM 375 CE1 TYR A 25 10.871 -35.782 -11.937 1.00 0.00 C ATOM 376 CE2 TYR A 25 12.189 -34.883 -10.141 1.00 0.00 C ATOM 377 CZ TYR A 25 11.737 -35.967 -10.866 1.00 0.00 C ATOM 378 OH TYR A 25 12.144 -37.238 -10.529 1.00 0.00 O ATOM 0 H TYR A 25 10.376 -31.626 -9.473 1.00 0.00 H new ATOM 0 HA TYR A 25 8.842 -30.644 -11.657 1.00 0.00 H new ATOM 0 HB2 TYR A 25 10.306 -31.974 -12.994 1.00 0.00 H new ATOM 0 HB3 TYR A 25 11.271 -31.319 -11.685 1.00 0.00 H new ATOM 0 HD1 TYR A 25 9.789 -34.357 -13.106 1.00 0.00 H new ATOM 0 HD2 TYR A 25 12.135 -32.760 -9.912 1.00 0.00 H new ATOM 0 HE1 TYR A 25 10.519 -36.632 -12.503 1.00 0.00 H new ATOM 0 HE2 TYR A 25 12.862 -35.032 -9.309 1.00 0.00 H new ATOM 0 HH TYR A 25 11.442 -37.678 -10.005 1.00 0.00 H new ATOM 388 N GLU A 26 7.821 -33.345 -10.284 1.00 0.00 N ATOM 389 CA GLU A 26 6.750 -34.334 -10.283 1.00 0.00 C ATOM 390 C GLU A 26 5.407 -33.692 -9.961 1.00 0.00 C ATOM 391 O GLU A 26 4.356 -34.308 -10.135 1.00 0.00 O ATOM 392 CB GLU A 26 7.051 -35.444 -9.273 1.00 0.00 C ATOM 393 CG GLU A 26 8.275 -36.284 -9.607 1.00 0.00 C ATOM 394 CD GLU A 26 8.535 -37.368 -8.599 1.00 0.00 C ATOM 395 OE1 GLU A 26 7.853 -37.402 -7.602 1.00 0.00 O ATOM 396 OE2 GLU A 26 9.416 -38.164 -8.824 1.00 0.00 O ATOM 0 H GLU A 26 8.322 -33.266 -9.399 1.00 0.00 H new ATOM 0 HA GLU A 26 6.693 -34.764 -11.283 1.00 0.00 H new ATOM 0 HB2 GLU A 26 7.191 -34.995 -8.290 1.00 0.00 H new ATOM 0 HB3 GLU A 26 6.183 -36.100 -9.203 1.00 0.00 H new ATOM 0 HG2 GLU A 26 8.143 -36.734 -10.591 1.00 0.00 H new ATOM 0 HG3 GLU A 26 9.149 -35.635 -9.668 1.00 0.00 H new ATOM 403 N ALA A 27 5.449 -32.450 -9.490 1.00 0.00 N ATOM 404 CA ALA A 27 4.236 -31.727 -9.126 1.00 0.00 C ATOM 405 C ALA A 27 3.577 -31.106 -10.351 1.00 0.00 C ATOM 406 O ALA A 27 4.258 -30.658 -11.274 1.00 0.00 O ATOM 407 CB ALA A 27 4.548 -30.655 -8.092 1.00 0.00 C ATOM 0 H ALA A 27 6.311 -31.923 -9.351 1.00 0.00 H new ATOM 0 HA ALA A 27 3.536 -32.441 -8.692 1.00 0.00 H new ATOM 0 HB1 ALA A 27 3.633 -30.124 -7.831 1.00 0.00 H new ATOM 0 HB2 ALA A 27 4.965 -31.121 -7.199 1.00 0.00 H new ATOM 0 HB3 ALA A 27 5.270 -29.951 -8.505 1.00 0.00 H new ATOM 413 N THR A 28 2.249 -31.080 -10.353 1.00 0.00 N ATOM 414 CA THR A 28 1.496 -30.492 -11.454 1.00 0.00 C ATOM 415 C THR A 28 0.866 -29.167 -11.044 1.00 0.00 C ATOM 416 O THR A 28 0.905 -28.785 -9.875 1.00 0.00 O ATOM 417 CB THR A 28 0.401 -31.452 -11.953 1.00 0.00 C ATOM 418 OG1 THR A 28 -0.605 -31.602 -10.942 1.00 0.00 O ATOM 419 CG2 THR A 28 0.994 -32.815 -12.278 1.00 0.00 C ATOM 0 H THR A 28 1.671 -31.460 -9.603 1.00 0.00 H new ATOM 0 HA THR A 28 2.201 -30.310 -12.265 1.00 0.00 H new ATOM 0 HB THR A 28 -0.042 -31.034 -12.857 1.00 0.00 H new ATOM 0 HG1 THR A 28 -1.302 -32.212 -11.262 1.00 0.00 H new ATOM 0 HG21 THR A 28 0.205 -33.481 -12.629 1.00 0.00 H new ATOM 0 HG22 THR A 28 1.750 -32.707 -13.055 1.00 0.00 H new ATOM 0 HG23 THR A 28 1.452 -33.236 -11.383 1.00 0.00 H new ATOM 427 N GLU A 29 0.284 -28.469 -12.014 1.00 0.00 N ATOM 428 CA GLU A 29 -0.426 -27.224 -11.742 1.00 0.00 C ATOM 429 C GLU A 29 -1.670 -27.473 -10.899 1.00 0.00 C ATOM 430 O GLU A 29 -2.096 -26.607 -10.135 1.00 0.00 O ATOM 431 CB GLU A 29 -0.815 -26.536 -13.052 1.00 0.00 C ATOM 432 CG GLU A 29 0.352 -25.914 -13.806 1.00 0.00 C ATOM 433 CD GLU A 29 -0.073 -25.219 -15.070 1.00 0.00 C ATOM 434 OE1 GLU A 29 -1.082 -25.591 -15.620 1.00 0.00 O ATOM 435 OE2 GLU A 29 0.613 -24.315 -15.487 1.00 0.00 O ATOM 0 H GLU A 29 0.290 -28.745 -12.996 1.00 0.00 H new ATOM 0 HA GLU A 29 0.244 -26.573 -11.181 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -1.303 -27.264 -13.700 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -1.548 -25.759 -12.836 1.00 0.00 H new ATOM 0 HG2 GLU A 29 0.858 -25.200 -13.157 1.00 0.00 H new ATOM 0 HG3 GLU A 29 1.076 -26.691 -14.050 1.00 0.00 H new ATOM 442 N GLU A 30 -2.248 -28.661 -11.042 1.00 0.00 N ATOM 443 CA GLU A 30 -3.411 -29.046 -10.252 1.00 0.00 C ATOM 444 C GLU A 30 -3.033 -29.297 -8.798 1.00 0.00 C ATOM 445 O GLU A 30 -3.798 -28.987 -7.885 1.00 0.00 O ATOM 446 CB GLU A 30 -4.065 -30.298 -10.842 1.00 0.00 C ATOM 447 CG GLU A 30 -4.737 -30.081 -12.191 1.00 0.00 C ATOM 448 CD GLU A 30 -5.872 -29.098 -12.127 1.00 0.00 C ATOM 449 OE1 GLU A 30 -6.714 -29.247 -11.274 1.00 0.00 O ATOM 450 OE2 GLU A 30 -5.898 -28.197 -12.932 1.00 0.00 O ATOM 0 H GLU A 30 -1.930 -29.374 -11.698 1.00 0.00 H new ATOM 0 HA GLU A 30 -4.122 -28.220 -10.283 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -3.306 -31.073 -10.948 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -4.807 -30.672 -10.136 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -3.996 -29.727 -12.908 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -5.110 -31.035 -12.563 1.00 0.00 H new ATOM 457 N GLN A 31 -1.847 -29.859 -8.590 1.00 0.00 N ATOM 458 CA GLN A 31 -1.302 -30.021 -7.247 1.00 0.00 C ATOM 459 C GLN A 31 -0.972 -28.673 -6.620 1.00 0.00 C ATOM 460 O GLN A 31 -1.247 -28.441 -5.442 1.00 0.00 O ATOM 461 CB GLN A 31 -0.050 -30.903 -7.280 1.00 0.00 C ATOM 462 CG GLN A 31 -0.325 -32.362 -7.602 1.00 0.00 C ATOM 463 CD GLN A 31 0.940 -33.198 -7.619 1.00 0.00 C ATOM 464 OE1 GLN A 31 1.902 -32.910 -6.901 1.00 0.00 O ATOM 465 NE2 GLN A 31 0.947 -34.242 -8.440 1.00 0.00 N ATOM 0 H GLN A 31 -1.245 -30.210 -9.335 1.00 0.00 H new ATOM 0 HA GLN A 31 -2.063 -30.506 -6.635 1.00 0.00 H new ATOM 0 HB2 GLN A 31 0.643 -30.503 -8.020 1.00 0.00 H new ATOM 0 HB3 GLN A 31 0.448 -30.844 -6.312 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -1.017 -32.770 -6.865 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -0.816 -32.431 -8.573 1.00 0.00 H new ATOM 0 HE21 GLN A 31 0.130 -34.443 -9.016 1.00 0.00 H new ATOM 0 HE22 GLN A 31 1.770 -34.842 -8.495 1.00 0.00 H new ATOM 474 N LEU A 32 -0.382 -27.785 -7.413 1.00 0.00 N ATOM 475 CA LEU A 32 -0.102 -26.426 -6.967 1.00 0.00 C ATOM 476 C LEU A 32 -1.389 -25.659 -6.696 1.00 0.00 C ATOM 477 O LEU A 32 -1.467 -24.870 -5.754 1.00 0.00 O ATOM 478 CB LEU A 32 0.731 -25.684 -8.020 1.00 0.00 C ATOM 479 CG LEU A 32 2.176 -26.168 -8.189 1.00 0.00 C ATOM 480 CD1 LEU A 32 2.797 -25.503 -9.409 1.00 0.00 C ATOM 481 CD2 LEU A 32 2.969 -25.849 -6.930 1.00 0.00 C ATOM 0 H LEU A 32 -0.088 -27.983 -8.369 1.00 0.00 H new ATOM 0 HA LEU A 32 0.463 -26.489 -6.037 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.225 -25.768 -8.982 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.750 -24.625 -7.761 1.00 0.00 H new ATOM 0 HG LEU A 32 2.191 -27.247 -8.341 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.824 -25.848 -9.528 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.222 -25.763 -10.298 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.791 -24.421 -9.276 1.00 0.00 H new ATOM 0 HD21 LEU A 32 3.996 -26.193 -7.050 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.964 -24.772 -6.760 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.515 -26.353 -6.077 1.00 0.00 H new ATOM 493 N LYS A 33 -2.399 -25.895 -7.527 1.00 0.00 N ATOM 494 CA LYS A 33 -3.714 -25.298 -7.324 1.00 0.00 C ATOM 495 C LYS A 33 -4.209 -25.525 -5.902 1.00 0.00 C ATOM 496 O LYS A 33 -4.618 -24.585 -5.220 1.00 0.00 O ATOM 497 CB LYS A 33 -4.720 -25.864 -8.327 1.00 0.00 C ATOM 498 CG LYS A 33 -6.105 -25.237 -8.251 1.00 0.00 C ATOM 499 CD LYS A 33 -7.070 -25.909 -9.217 1.00 0.00 C ATOM 500 CE LYS A 33 -7.522 -27.265 -8.696 1.00 0.00 C ATOM 501 NZ LYS A 33 -8.434 -27.952 -9.651 1.00 0.00 N ATOM 0 H LYS A 33 -2.332 -26.496 -8.348 1.00 0.00 H new ATOM 0 HA LYS A 33 -3.620 -24.224 -7.484 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -4.327 -25.726 -9.334 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -4.811 -26.938 -8.165 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -6.489 -25.320 -7.234 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -6.038 -24.174 -8.481 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -7.939 -25.269 -9.371 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -6.589 -26.032 -10.187 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -6.650 -27.892 -8.512 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -8.029 -27.136 -7.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -8.786 -28.832 -9.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -9.237 -27.330 -9.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -7.917 -28.175 -10.525 1.00 0.00 H new ATOM 515 N ASP A 34 -4.168 -26.777 -5.459 1.00 0.00 N ATOM 516 CA ASP A 34 -4.549 -27.119 -4.094 1.00 0.00 C ATOM 517 C ASP A 34 -3.693 -26.373 -3.079 1.00 0.00 C ATOM 518 O ASP A 34 -4.208 -25.806 -2.115 1.00 0.00 O ATOM 519 CB ASP A 34 -4.424 -28.627 -3.864 1.00 0.00 C ATOM 520 CG ASP A 34 -5.503 -29.428 -4.582 1.00 0.00 C ATOM 521 OD1 ASP A 34 -6.472 -28.839 -5.001 1.00 0.00 O ATOM 522 OD2 ASP A 34 -5.348 -30.619 -4.704 1.00 0.00 O ATOM 0 H ASP A 34 -3.874 -27.572 -6.026 1.00 0.00 H new ATOM 0 HA ASP A 34 -5.588 -26.820 -3.957 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -3.444 -28.961 -4.204 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -4.477 -28.832 -2.795 1.00 0.00 H new ATOM 527 N ILE A 35 -2.383 -26.375 -3.302 1.00 0.00 N ATOM 528 CA ILE A 35 -1.454 -25.678 -2.420 1.00 0.00 C ATOM 529 C ILE A 35 -1.813 -24.203 -2.298 1.00 0.00 C ATOM 530 O ILE A 35 -1.736 -23.623 -1.215 1.00 0.00 O ATOM 531 CB ILE A 35 -0.007 -25.814 -2.928 1.00 0.00 C ATOM 532 CG1 ILE A 35 0.458 -27.269 -2.830 1.00 0.00 C ATOM 533 CG2 ILE A 35 0.921 -24.901 -2.142 1.00 0.00 C ATOM 534 CD1 ILE A 35 0.492 -27.806 -1.418 1.00 0.00 C ATOM 0 H ILE A 35 -1.940 -26.852 -4.087 1.00 0.00 H new ATOM 0 HA ILE A 35 -1.531 -26.141 -1.436 1.00 0.00 H new ATOM 0 HB ILE A 35 0.023 -25.513 -3.975 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -0.204 -27.893 -3.430 1.00 0.00 H new ATOM 0 HG13 ILE A 35 1.454 -27.352 -3.264 1.00 0.00 H new ATOM 0 HG21 ILE A 35 1.940 -25.010 -2.514 1.00 0.00 H new ATOM 0 HG22 ILE A 35 0.600 -23.866 -2.261 1.00 0.00 H new ATOM 0 HG23 ILE A 35 0.890 -25.172 -1.087 1.00 0.00 H new ATOM 0 HD11 ILE A 35 0.831 -28.842 -1.431 1.00 0.00 H new ATOM 0 HD12 ILE A 35 1.177 -27.207 -0.817 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -0.507 -27.757 -0.986 1.00 0.00 H new ATOM 546 N PHE A 36 -2.206 -23.600 -3.415 1.00 0.00 N ATOM 547 CA PHE A 36 -2.553 -22.184 -3.440 1.00 0.00 C ATOM 548 C PHE A 36 -3.901 -21.935 -2.776 1.00 0.00 C ATOM 549 O PHE A 36 -4.093 -20.926 -2.098 1.00 0.00 O ATOM 550 CB PHE A 36 -2.585 -21.667 -4.880 1.00 0.00 C ATOM 551 CG PHE A 36 -1.263 -21.762 -5.587 1.00 0.00 C ATOM 552 CD1 PHE A 36 -0.073 -21.676 -4.879 1.00 0.00 C ATOM 553 CD2 PHE A 36 -1.206 -21.937 -6.961 1.00 0.00 C ATOM 554 CE1 PHE A 36 1.143 -21.764 -5.529 1.00 0.00 C ATOM 555 CE2 PHE A 36 0.009 -22.026 -7.613 1.00 0.00 C ATOM 556 CZ PHE A 36 1.185 -21.939 -6.896 1.00 0.00 C ATOM 0 H PHE A 36 -2.292 -24.071 -4.316 1.00 0.00 H new ATOM 0 HA PHE A 36 -1.788 -21.646 -2.881 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -3.329 -22.231 -5.442 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -2.910 -20.627 -4.876 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.097 -21.539 -3.808 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -2.122 -22.005 -7.529 1.00 0.00 H new ATOM 0 HE1 PHE A 36 2.062 -21.696 -4.966 1.00 0.00 H new ATOM 0 HE2 PHE A 36 0.038 -22.164 -8.684 1.00 0.00 H new ATOM 0 HZ PHE A 36 2.135 -22.008 -7.404 1.00 0.00 H new ATOM 566 N SER A 37 -4.833 -22.861 -2.976 1.00 0.00 N ATOM 567 CA SER A 37 -6.191 -22.703 -2.467 1.00 0.00 C ATOM 568 C SER A 37 -6.221 -22.782 -0.946 1.00 0.00 C ATOM 569 O SER A 37 -7.135 -22.261 -0.306 1.00 0.00 O ATOM 570 CB SER A 37 -7.096 -23.768 -3.056 1.00 0.00 C ATOM 571 OG SER A 37 -6.786 -25.032 -2.538 1.00 0.00 O ATOM 0 H SER A 37 -4.673 -23.729 -3.487 1.00 0.00 H new ATOM 0 HA SER A 37 -6.550 -21.718 -2.765 1.00 0.00 H new ATOM 0 HB2 SER A 37 -8.137 -23.527 -2.839 1.00 0.00 H new ATOM 0 HB3 SER A 37 -6.992 -23.780 -4.141 1.00 0.00 H new ATOM 0 HG SER A 37 -5.815 -25.112 -2.430 1.00 0.00 H new ATOM 577 N GLU A 38 -5.218 -23.437 -0.372 1.00 0.00 N ATOM 578 CA GLU A 38 -5.077 -23.505 1.077 1.00 0.00 C ATOM 579 C GLU A 38 -4.817 -22.126 1.670 1.00 0.00 C ATOM 580 O GLU A 38 -5.148 -21.865 2.827 1.00 0.00 O ATOM 581 CB GLU A 38 -3.941 -24.457 1.459 1.00 0.00 C ATOM 582 CG GLU A 38 -4.253 -25.930 1.235 1.00 0.00 C ATOM 583 CD GLU A 38 -3.161 -26.840 1.723 1.00 0.00 C ATOM 584 OE1 GLU A 38 -2.191 -26.346 2.246 1.00 0.00 O ATOM 585 OE2 GLU A 38 -3.296 -28.032 1.574 1.00 0.00 O ATOM 0 H GLU A 38 -4.490 -23.929 -0.889 1.00 0.00 H new ATOM 0 HA GLU A 38 -6.014 -23.884 1.485 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -3.054 -24.194 0.883 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -3.695 -24.306 2.510 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -5.183 -26.181 1.745 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -4.416 -26.104 0.171 1.00 0.00 H new ATOM 592 N VAL A 39 -4.223 -21.246 0.871 1.00 0.00 N ATOM 593 CA VAL A 39 -3.955 -19.879 1.302 1.00 0.00 C ATOM 594 C VAL A 39 -5.207 -19.017 1.208 1.00 0.00 C ATOM 595 O VAL A 39 -5.575 -18.334 2.163 1.00 0.00 O ATOM 596 CB VAL A 39 -2.840 -19.257 0.441 1.00 0.00 C ATOM 597 CG1 VAL A 39 -2.658 -17.786 0.787 1.00 0.00 C ATOM 598 CG2 VAL A 39 -1.541 -20.023 0.642 1.00 0.00 C ATOM 0 H VAL A 39 -3.918 -21.455 -0.079 1.00 0.00 H new ATOM 0 HA VAL A 39 -3.635 -19.916 2.343 1.00 0.00 H new ATOM 0 HB VAL A 39 -3.125 -19.324 -0.609 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.866 -17.362 0.169 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -3.589 -17.251 0.601 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -2.388 -17.690 1.839 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -0.757 -19.577 0.030 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -1.251 -19.978 1.692 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -1.683 -21.063 0.349 1.00 0.00 H new ATOM 608 N GLY A 40 -5.857 -19.052 0.050 1.00 0.00 N ATOM 609 CA GLY A 40 -7.073 -18.277 -0.170 1.00 0.00 C ATOM 610 C GLY A 40 -7.494 -18.316 -1.634 1.00 0.00 C ATOM 611 O GLY A 40 -6.932 -19.066 -2.431 1.00 0.00 O ATOM 0 H GLY A 40 -5.562 -19.609 -0.752 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -7.876 -18.671 0.453 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.909 -17.244 0.137 1.00 0.00 H new ATOM 615 N PRO A 41 -8.485 -17.502 -1.980 1.00 0.00 N ATOM 616 CA PRO A 41 -9.005 -17.465 -3.342 1.00 0.00 C ATOM 617 C PRO A 41 -7.920 -17.074 -4.336 1.00 0.00 C ATOM 618 O PRO A 41 -7.093 -16.206 -4.056 1.00 0.00 O ATOM 619 CB PRO A 41 -10.107 -16.404 -3.261 1.00 0.00 C ATOM 620 CG PRO A 41 -10.524 -16.417 -1.830 1.00 0.00 C ATOM 621 CD PRO A 41 -9.244 -16.644 -1.070 1.00 0.00 C ATOM 0 HA PRO A 41 -9.371 -18.431 -3.691 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -9.738 -15.423 -3.559 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -10.941 -16.645 -3.921 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -10.994 -15.476 -1.544 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -11.248 -17.208 -1.634 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -8.723 -15.709 -0.864 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -9.422 -17.128 -0.110 1.00 0.00 H new ATOM 629 N VAL A 42 -7.928 -17.718 -5.498 1.00 0.00 N ATOM 630 CA VAL A 42 -6.879 -17.520 -6.491 1.00 0.00 C ATOM 631 C VAL A 42 -7.461 -17.056 -7.820 1.00 0.00 C ATOM 632 O VAL A 42 -8.458 -17.600 -8.296 1.00 0.00 O ATOM 633 CB VAL A 42 -6.093 -18.826 -6.707 1.00 0.00 C ATOM 634 CG1 VAL A 42 -5.006 -18.627 -7.753 1.00 0.00 C ATOM 635 CG2 VAL A 42 -5.493 -19.293 -5.389 1.00 0.00 C ATOM 0 H VAL A 42 -8.650 -18.382 -5.775 1.00 0.00 H new ATOM 0 HA VAL A 42 -6.208 -16.748 -6.114 1.00 0.00 H new ATOM 0 HB VAL A 42 -6.776 -19.593 -7.071 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -4.460 -19.560 -7.893 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -5.460 -18.327 -8.697 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -4.317 -17.851 -7.419 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -4.938 -20.218 -5.549 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -4.819 -18.527 -5.004 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -6.291 -19.469 -4.668 1.00 0.00 H new ATOM 645 N VAL A 43 -6.833 -16.047 -8.416 1.00 0.00 N ATOM 646 CA VAL A 43 -7.223 -15.576 -9.739 1.00 0.00 C ATOM 647 C VAL A 43 -6.621 -16.447 -10.834 1.00 0.00 C ATOM 648 O VAL A 43 -7.334 -16.956 -11.698 1.00 0.00 O ATOM 649 CB VAL A 43 -6.772 -14.117 -9.941 1.00 0.00 C ATOM 650 CG1 VAL A 43 -7.035 -13.672 -11.372 1.00 0.00 C ATOM 651 CG2 VAL A 43 -7.492 -13.211 -8.954 1.00 0.00 C ATOM 0 H VAL A 43 -6.051 -15.540 -8.002 1.00 0.00 H new ATOM 0 HA VAL A 43 -8.309 -15.635 -9.805 1.00 0.00 H new ATOM 0 HB VAL A 43 -5.700 -14.050 -9.758 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -6.711 -12.639 -11.497 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -6.482 -14.312 -12.060 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -8.101 -13.746 -11.586 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -7.168 -12.181 -9.103 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -8.568 -13.280 -9.115 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -7.257 -13.522 -7.936 1.00 0.00 H new ATOM 661 N SER A 44 -5.304 -16.616 -10.791 1.00 0.00 N ATOM 662 CA SER A 44 -4.591 -17.349 -11.831 1.00 0.00 C ATOM 663 C SER A 44 -3.279 -17.915 -11.304 1.00 0.00 C ATOM 664 O SER A 44 -2.826 -17.551 -10.219 1.00 0.00 O ATOM 665 CB SER A 44 -4.321 -16.443 -13.017 1.00 0.00 C ATOM 666 OG SER A 44 -3.337 -15.494 -12.710 1.00 0.00 O ATOM 0 H SER A 44 -4.708 -16.255 -10.046 1.00 0.00 H new ATOM 0 HA SER A 44 -5.220 -18.181 -12.148 1.00 0.00 H new ATOM 0 HB2 SER A 44 -4.001 -17.041 -13.870 1.00 0.00 H new ATOM 0 HB3 SER A 44 -5.241 -15.937 -13.309 1.00 0.00 H new ATOM 0 HG SER A 44 -3.751 -14.610 -12.620 1.00 0.00 H new ATOM 672 N PHE A 45 -2.673 -18.809 -12.079 1.00 0.00 N ATOM 673 CA PHE A 45 -1.371 -19.366 -11.732 1.00 0.00 C ATOM 674 C PHE A 45 -0.791 -20.171 -12.888 1.00 0.00 C ATOM 675 O PHE A 45 -1.520 -20.625 -13.769 1.00 0.00 O ATOM 676 CB PHE A 45 -1.483 -20.253 -10.491 1.00 0.00 C ATOM 677 CG PHE A 45 -2.471 -21.376 -10.636 1.00 0.00 C ATOM 678 CD1 PHE A 45 -2.068 -22.616 -11.109 1.00 0.00 C ATOM 679 CD2 PHE A 45 -3.804 -21.194 -10.301 1.00 0.00 C ATOM 680 CE1 PHE A 45 -2.976 -23.650 -11.243 1.00 0.00 C ATOM 681 CE2 PHE A 45 -4.713 -22.225 -10.433 1.00 0.00 C ATOM 682 CZ PHE A 45 -4.298 -23.455 -10.905 1.00 0.00 C ATOM 0 H PHE A 45 -3.063 -19.163 -12.952 1.00 0.00 H new ATOM 0 HA PHE A 45 -0.700 -18.534 -11.519 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -0.502 -20.671 -10.265 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -1.770 -19.636 -9.640 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -1.034 -22.776 -11.376 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -4.135 -20.234 -9.932 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -2.649 -24.611 -11.613 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -5.748 -22.070 -10.167 1.00 0.00 H new ATOM 0 HZ PHE A 45 -5.008 -24.262 -11.009 1.00 0.00 H new ATOM 692 N ARG A 46 0.527 -20.345 -12.878 1.00 0.00 N ATOM 693 CA ARG A 46 1.215 -21.043 -13.957 1.00 0.00 C ATOM 694 C ARG A 46 2.467 -21.746 -13.448 1.00 0.00 C ATOM 695 O ARG A 46 3.208 -21.200 -12.632 1.00 0.00 O ATOM 696 CB ARG A 46 1.598 -20.071 -15.064 1.00 0.00 C ATOM 697 CG ARG A 46 2.271 -20.709 -16.270 1.00 0.00 C ATOM 698 CD ARG A 46 2.684 -19.691 -17.270 1.00 0.00 C ATOM 699 NE ARG A 46 1.540 -19.020 -17.865 1.00 0.00 N ATOM 700 CZ ARG A 46 1.608 -17.881 -18.581 1.00 0.00 C ATOM 701 NH1 ARG A 46 2.770 -17.299 -18.781 1.00 0.00 N ATOM 702 NH2 ARG A 46 0.507 -17.348 -19.082 1.00 0.00 N ATOM 0 H ARG A 46 1.140 -20.012 -12.134 1.00 0.00 H new ATOM 0 HA ARG A 46 0.529 -21.791 -14.353 1.00 0.00 H new ATOM 0 HB2 ARG A 46 0.700 -19.552 -15.399 1.00 0.00 H new ATOM 0 HB3 ARG A 46 2.266 -19.316 -14.650 1.00 0.00 H new ATOM 0 HG2 ARG A 46 3.144 -21.274 -15.943 1.00 0.00 H new ATOM 0 HG3 ARG A 46 1.588 -21.420 -16.735 1.00 0.00 H new ATOM 0 HD2 ARG A 46 3.329 -18.954 -16.792 1.00 0.00 H new ATOM 0 HD3 ARG A 46 3.272 -20.169 -18.053 1.00 0.00 H new ATOM 0 HE ARG A 46 0.621 -19.441 -17.731 1.00 0.00 H new ATOM 0 HH11 ARG A 46 3.620 -17.710 -18.394 1.00 0.00 H new ATOM 0 HH12 ARG A 46 2.822 -16.437 -19.323 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -0.394 -17.799 -18.926 1.00 0.00 H new ATOM 0 HH22 ARG A 46 0.559 -16.486 -19.624 1.00 0.00 H new ATOM 716 N LEU A 47 2.696 -22.961 -13.935 1.00 0.00 N ATOM 717 CA LEU A 47 3.961 -23.650 -13.713 1.00 0.00 C ATOM 718 C LEU A 47 4.791 -23.703 -14.989 1.00 0.00 C ATOM 719 O LEU A 47 4.368 -24.277 -15.992 1.00 0.00 O ATOM 720 CB LEU A 47 3.707 -25.073 -13.200 1.00 0.00 C ATOM 721 CG LEU A 47 4.953 -25.952 -13.033 1.00 0.00 C ATOM 722 CD1 LEU A 47 5.880 -25.330 -11.998 1.00 0.00 C ATOM 723 CD2 LEU A 47 4.533 -27.355 -12.619 1.00 0.00 C ATOM 0 H LEU A 47 2.020 -23.489 -14.487 1.00 0.00 H new ATOM 0 HA LEU A 47 4.520 -23.090 -12.963 1.00 0.00 H new ATOM 0 HB2 LEU A 47 3.200 -25.007 -12.238 1.00 0.00 H new ATOM 0 HB3 LEU A 47 3.023 -25.571 -13.888 1.00 0.00 H new ATOM 0 HG LEU A 47 5.491 -26.019 -13.979 1.00 0.00 H new ATOM 0 HD11 LEU A 47 6.765 -25.955 -11.880 1.00 0.00 H new ATOM 0 HD12 LEU A 47 6.180 -24.336 -12.329 1.00 0.00 H new ATOM 0 HD13 LEU A 47 5.360 -25.253 -11.043 1.00 0.00 H new ATOM 0 HD21 LEU A 47 5.418 -27.980 -12.500 1.00 0.00 H new ATOM 0 HD22 LEU A 47 3.992 -27.309 -11.674 1.00 0.00 H new ATOM 0 HD23 LEU A 47 3.887 -27.783 -13.386 1.00 0.00 H new ATOM 735 N VAL A 48 5.976 -23.103 -14.944 1.00 0.00 N ATOM 736 CA VAL A 48 6.832 -23.009 -16.121 1.00 0.00 C ATOM 737 C VAL A 48 7.652 -24.278 -16.308 1.00 0.00 C ATOM 738 O VAL A 48 8.213 -24.813 -15.352 1.00 0.00 O ATOM 739 CB VAL A 48 7.781 -21.802 -15.996 1.00 0.00 C ATOM 740 CG1 VAL A 48 8.718 -21.735 -17.192 1.00 0.00 C ATOM 741 CG2 VAL A 48 6.973 -20.519 -15.871 1.00 0.00 C ATOM 0 H VAL A 48 6.366 -22.674 -14.104 1.00 0.00 H new ATOM 0 HA VAL A 48 6.187 -22.879 -16.990 1.00 0.00 H new ATOM 0 HB VAL A 48 8.388 -21.921 -15.098 1.00 0.00 H new ATOM 0 HG11 VAL A 48 9.381 -20.876 -17.087 1.00 0.00 H new ATOM 0 HG12 VAL A 48 9.311 -22.648 -17.241 1.00 0.00 H new ATOM 0 HG13 VAL A 48 8.134 -21.633 -18.107 1.00 0.00 H new ATOM 0 HG21 VAL A 48 7.650 -19.670 -15.783 1.00 0.00 H new ATOM 0 HG22 VAL A 48 6.348 -20.395 -16.756 1.00 0.00 H new ATOM 0 HG23 VAL A 48 6.341 -20.572 -14.985 1.00 0.00 H new ATOM 878 N LYS A 57 10.401 -26.619 -14.760 1.00 0.00 N ATOM 879 CA LYS A 57 11.638 -25.965 -14.352 1.00 0.00 C ATOM 880 C LYS A 57 11.688 -25.775 -12.841 1.00 0.00 C ATOM 881 O LYS A 57 12.756 -25.559 -12.268 1.00 0.00 O ATOM 882 CB LYS A 57 11.789 -24.617 -15.057 1.00 0.00 C ATOM 883 CG LYS A 57 12.014 -24.714 -16.560 1.00 0.00 C ATOM 884 CD LYS A 57 12.239 -23.342 -17.176 1.00 0.00 C ATOM 885 CE LYS A 57 12.428 -23.434 -18.683 1.00 0.00 C ATOM 886 NZ LYS A 57 12.654 -22.098 -19.298 1.00 0.00 N ATOM 0 HA LYS A 57 12.467 -26.610 -14.642 1.00 0.00 H new ATOM 0 HB2 LYS A 57 10.894 -24.023 -14.874 1.00 0.00 H new ATOM 0 HB3 LYS A 57 12.626 -24.079 -14.611 1.00 0.00 H new ATOM 0 HG2 LYS A 57 12.876 -25.350 -16.760 1.00 0.00 H new ATOM 0 HG3 LYS A 57 11.152 -25.188 -17.029 1.00 0.00 H new ATOM 0 HD2 LYS A 57 11.389 -22.698 -16.953 1.00 0.00 H new ATOM 0 HD3 LYS A 57 13.117 -22.879 -16.725 1.00 0.00 H new ATOM 0 HE2 LYS A 57 13.276 -24.083 -18.903 1.00 0.00 H new ATOM 0 HE3 LYS A 57 11.548 -23.896 -19.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 12.778 -22.205 -20.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 11.834 -21.486 -19.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 13.508 -21.668 -18.889 1.00 0.00 H new ATOM 900 N GLY A 58 10.526 -25.856 -12.201 1.00 0.00 N ATOM 901 CA GLY A 58 10.442 -25.750 -10.749 1.00 0.00 C ATOM 902 C GLY A 58 10.107 -24.328 -10.319 1.00 0.00 C ATOM 903 O GLY A 58 10.206 -23.985 -9.141 1.00 0.00 O ATOM 0 H GLY A 58 9.629 -25.995 -12.666 1.00 0.00 H new ATOM 0 HA2 GLY A 58 9.681 -26.435 -10.375 1.00 0.00 H new ATOM 0 HA3 GLY A 58 11.390 -26.054 -10.304 1.00 0.00 H new ATOM 907 N TYR A 59 9.709 -23.503 -11.282 1.00 0.00 N ATOM 908 CA TYR A 59 9.374 -22.111 -11.007 1.00 0.00 C ATOM 909 C TYR A 59 8.052 -21.724 -11.658 1.00 0.00 C ATOM 910 O TYR A 59 7.666 -22.284 -12.684 1.00 0.00 O ATOM 911 CB TYR A 59 10.493 -21.185 -11.489 1.00 0.00 C ATOM 912 CG TYR A 59 11.843 -21.492 -10.880 1.00 0.00 C ATOM 913 CD1 TYR A 59 12.757 -22.270 -11.575 1.00 0.00 C ATOM 914 CD2 TYR A 59 12.168 -20.996 -9.626 1.00 0.00 C ATOM 915 CE1 TYR A 59 13.990 -22.551 -11.019 1.00 0.00 C ATOM 916 CE2 TYR A 59 13.401 -21.276 -9.070 1.00 0.00 C ATOM 917 CZ TYR A 59 14.310 -22.050 -9.762 1.00 0.00 C ATOM 918 OH TYR A 59 15.538 -22.330 -9.208 1.00 0.00 O ATOM 0 H TYR A 59 9.611 -23.775 -12.260 1.00 0.00 H new ATOM 0 HA TYR A 59 9.266 -22.000 -9.928 1.00 0.00 H new ATOM 0 HB2 TYR A 59 10.569 -21.257 -12.574 1.00 0.00 H new ATOM 0 HB3 TYR A 59 10.225 -20.155 -11.256 1.00 0.00 H new ATOM 0 HD1 TYR A 59 12.505 -22.656 -12.551 1.00 0.00 H new ATOM 0 HD2 TYR A 59 11.457 -20.391 -9.084 1.00 0.00 H new ATOM 0 HE1 TYR A 59 14.703 -23.157 -11.558 1.00 0.00 H new ATOM 0 HE2 TYR A 59 13.654 -20.889 -8.094 1.00 0.00 H new ATOM 0 HH TYR A 59 15.604 -21.905 -8.327 1.00 0.00 H new ATOM 928 N GLY A 60 7.361 -20.762 -11.056 1.00 0.00 N ATOM 929 CA GLY A 60 6.101 -20.268 -11.599 1.00 0.00 C ATOM 930 C GLY A 60 5.615 -19.042 -10.837 1.00 0.00 C ATOM 931 O GLY A 60 6.406 -18.331 -10.216 1.00 0.00 O ATOM 0 H GLY A 60 7.653 -20.308 -10.190 1.00 0.00 H new ATOM 0 HA2 GLY A 60 6.229 -20.018 -12.652 1.00 0.00 H new ATOM 0 HA3 GLY A 60 5.347 -21.054 -11.548 1.00 0.00 H new ATOM 935 N PHE A 61 4.310 -18.800 -10.887 1.00 0.00 N ATOM 936 CA PHE A 61 3.709 -17.684 -10.166 1.00 0.00 C ATOM 937 C PHE A 61 2.242 -17.952 -9.858 1.00 0.00 C ATOM 938 O PHE A 61 1.626 -18.839 -10.449 1.00 0.00 O ATOM 939 CB PHE A 61 3.837 -16.393 -10.977 1.00 0.00 C ATOM 940 CG PHE A 61 3.116 -16.431 -12.294 1.00 0.00 C ATOM 941 CD1 PHE A 61 1.772 -16.099 -12.374 1.00 0.00 C ATOM 942 CD2 PHE A 61 3.779 -16.798 -13.455 1.00 0.00 C ATOM 943 CE1 PHE A 61 1.107 -16.133 -13.586 1.00 0.00 C ATOM 944 CE2 PHE A 61 3.118 -16.833 -14.667 1.00 0.00 C ATOM 945 CZ PHE A 61 1.779 -16.500 -14.732 1.00 0.00 C ATOM 0 H PHE A 61 3.647 -19.363 -11.420 1.00 0.00 H new ATOM 0 HA PHE A 61 4.245 -17.572 -9.223 1.00 0.00 H new ATOM 0 HB2 PHE A 61 3.450 -15.563 -10.385 1.00 0.00 H new ATOM 0 HB3 PHE A 61 4.893 -16.191 -11.157 1.00 0.00 H new ATOM 0 HD1 PHE A 61 1.239 -15.811 -11.480 1.00 0.00 H new ATOM 0 HD2 PHE A 61 4.826 -17.060 -13.411 1.00 0.00 H new ATOM 0 HE1 PHE A 61 0.060 -15.872 -13.635 1.00 0.00 H new ATOM 0 HE2 PHE A 61 3.648 -17.120 -15.563 1.00 0.00 H new ATOM 0 HZ PHE A 61 1.260 -16.527 -15.679 1.00 0.00 H new ATOM 955 N CYS A 62 1.687 -17.181 -8.929 1.00 0.00 N ATOM 956 CA CYS A 62 0.286 -17.325 -8.551 1.00 0.00 C ATOM 957 C CYS A 62 -0.345 -15.972 -8.249 1.00 0.00 C ATOM 958 O CYS A 62 0.145 -15.222 -7.404 1.00 0.00 O ATOM 959 CB CYS A 62 0.150 -18.230 -7.326 1.00 0.00 C ATOM 960 SG CYS A 62 -1.558 -18.506 -6.798 1.00 0.00 S ATOM 0 H CYS A 62 2.187 -16.449 -8.424 1.00 0.00 H new ATOM 0 HA CYS A 62 -0.236 -17.776 -9.395 1.00 0.00 H new ATOM 0 HB2 CYS A 62 0.611 -19.193 -7.546 1.00 0.00 H new ATOM 0 HB3 CYS A 62 0.708 -17.791 -6.499 1.00 0.00 H new ATOM 0 HG CYS A 62 -1.734 -19.768 -6.542 1.00 0.00 H new ATOM 966 N GLU A 63 -1.435 -15.665 -8.944 1.00 0.00 N ATOM 967 CA GLU A 63 -2.168 -14.426 -8.711 1.00 0.00 C ATOM 968 C GLU A 63 -3.370 -14.660 -7.804 1.00 0.00 C ATOM 969 O GLU A 63 -4.275 -15.422 -8.142 1.00 0.00 O ATOM 970 CB GLU A 63 -2.629 -13.821 -10.039 1.00 0.00 C ATOM 971 CG GLU A 63 -3.352 -12.489 -9.905 1.00 0.00 C ATOM 972 CD GLU A 63 -3.797 -11.930 -11.228 1.00 0.00 C ATOM 973 OE1 GLU A 63 -3.757 -12.647 -12.198 1.00 0.00 O ATOM 974 OE2 GLU A 63 -4.178 -10.783 -11.268 1.00 0.00 O ATOM 0 H GLU A 63 -1.831 -16.258 -9.674 1.00 0.00 H new ATOM 0 HA GLU A 63 -1.494 -13.728 -8.215 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -1.761 -13.686 -10.684 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -3.289 -14.530 -10.538 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -4.221 -12.616 -9.259 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -2.693 -11.771 -9.416 1.00 0.00 H new ATOM 981 N TYR A 64 -3.372 -13.999 -6.652 1.00 0.00 N ATOM 982 CA TYR A 64 -4.453 -14.150 -5.684 1.00 0.00 C ATOM 983 C TYR A 64 -5.489 -13.045 -5.838 1.00 0.00 C ATOM 984 O TYR A 64 -5.219 -12.008 -6.444 1.00 0.00 O ATOM 985 CB TYR A 64 -3.897 -14.161 -4.258 1.00 0.00 C ATOM 986 CG TYR A 64 -3.098 -15.401 -3.924 1.00 0.00 C ATOM 987 CD1 TYR A 64 -1.723 -15.411 -4.108 1.00 0.00 C ATOM 988 CD2 TYR A 64 -3.740 -16.528 -3.433 1.00 0.00 C ATOM 989 CE1 TYR A 64 -0.993 -16.544 -3.803 1.00 0.00 C ATOM 990 CE2 TYR A 64 -3.011 -17.661 -3.128 1.00 0.00 C ATOM 991 CZ TYR A 64 -1.643 -17.671 -3.311 1.00 0.00 C ATOM 992 OH TYR A 64 -0.916 -18.799 -3.007 1.00 0.00 O ATOM 0 H TYR A 64 -2.637 -13.353 -6.365 1.00 0.00 H new ATOM 0 HA TYR A 64 -4.944 -15.103 -5.878 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -3.265 -13.284 -4.118 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -4.725 -14.073 -3.554 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -1.223 -14.533 -4.490 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -4.810 -16.520 -3.289 1.00 0.00 H new ATOM 0 HE1 TYR A 64 0.077 -16.554 -3.946 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -3.511 -18.539 -2.746 1.00 0.00 H new ATOM 0 HH TYR A 64 -0.866 -19.378 -3.796 1.00 0.00 H new ATOM 1002 N GLN A 65 -6.676 -13.273 -5.287 1.00 0.00 N ATOM 1003 CA GLN A 65 -7.777 -12.326 -5.420 1.00 0.00 C ATOM 1004 C GLN A 65 -7.616 -11.156 -4.458 1.00 0.00 C ATOM 1005 O GLN A 65 -8.383 -10.194 -4.501 1.00 0.00 O ATOM 1006 CB GLN A 65 -9.117 -13.024 -5.174 1.00 0.00 C ATOM 1007 CG GLN A 65 -9.498 -14.035 -6.242 1.00 0.00 C ATOM 1008 CD GLN A 65 -10.874 -14.631 -6.011 1.00 0.00 C ATOM 1009 OE1 GLN A 65 -11.631 -14.167 -5.154 1.00 0.00 O ATOM 1010 NE2 GLN A 65 -11.206 -15.665 -6.776 1.00 0.00 N ATOM 0 H GLN A 65 -6.901 -14.106 -4.743 1.00 0.00 H new ATOM 0 HA GLN A 65 -7.760 -11.937 -6.438 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -9.079 -13.529 -4.209 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -9.900 -12.269 -5.108 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -9.473 -13.553 -7.219 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -8.758 -14.835 -6.262 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -10.549 -16.016 -7.472 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -12.118 -16.108 -6.667 1.00 0.00 H new ATOM 1019 N ASP A 66 -6.615 -11.244 -3.589 1.00 0.00 N ATOM 1020 CA ASP A 66 -6.341 -10.185 -2.625 1.00 0.00 C ATOM 1021 C ASP A 66 -4.851 -10.086 -2.324 1.00 0.00 C ATOM 1022 O ASP A 66 -4.152 -11.097 -2.262 1.00 0.00 O ATOM 1023 CB ASP A 66 -7.115 -10.428 -1.327 1.00 0.00 C ATOM 1024 CG ASP A 66 -7.204 -9.187 -0.449 1.00 0.00 C ATOM 1025 OD1 ASP A 66 -6.199 -8.796 0.096 1.00 0.00 O ATOM 1026 OD2 ASP A 66 -8.275 -8.642 -0.331 1.00 0.00 O ATOM 0 H ASP A 66 -5.979 -12.039 -3.533 1.00 0.00 H new ATOM 0 HA ASP A 66 -6.668 -9.243 -3.066 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -8.122 -10.769 -1.569 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -6.633 -11.229 -0.767 1.00 0.00 H new ATOM 1031 N GLN A 67 -4.371 -8.861 -2.137 1.00 0.00 N ATOM 1032 CA GLN A 67 -2.957 -8.625 -1.874 1.00 0.00 C ATOM 1033 C GLN A 67 -2.537 -9.225 -0.538 1.00 0.00 C ATOM 1034 O GLN A 67 -1.422 -9.726 -0.394 1.00 0.00 O ATOM 1035 CB GLN A 67 -2.651 -7.125 -1.891 1.00 0.00 C ATOM 1036 CG GLN A 67 -2.762 -6.482 -3.263 1.00 0.00 C ATOM 1037 CD GLN A 67 -2.548 -4.981 -3.219 1.00 0.00 C ATOM 1038 OE1 GLN A 67 -2.104 -4.433 -2.206 1.00 0.00 O ATOM 1039 NE2 GLN A 67 -2.863 -4.307 -4.319 1.00 0.00 N ATOM 0 H GLN A 67 -4.941 -8.016 -2.163 1.00 0.00 H new ATOM 0 HA GLN A 67 -2.387 -9.114 -2.664 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -3.334 -6.619 -1.209 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -1.643 -6.967 -1.509 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -2.028 -6.931 -3.932 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -3.746 -6.694 -3.682 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -3.227 -4.802 -5.133 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -2.741 -3.295 -4.349 1.00 0.00 H new ATOM 1048 N GLU A 68 -3.438 -9.173 0.438 1.00 0.00 N ATOM 1049 CA GLU A 68 -3.171 -9.730 1.758 1.00 0.00 C ATOM 1050 C GLU A 68 -3.134 -11.252 1.716 1.00 0.00 C ATOM 1051 O GLU A 68 -2.357 -11.883 2.433 1.00 0.00 O ATOM 1052 CB GLU A 68 -4.230 -9.263 2.759 1.00 0.00 C ATOM 1053 CG GLU A 68 -3.991 -9.725 4.189 1.00 0.00 C ATOM 1054 CD GLU A 68 -2.705 -9.203 4.766 1.00 0.00 C ATOM 1055 OE1 GLU A 68 -2.363 -8.080 4.484 1.00 0.00 O ATOM 1056 OE2 GLU A 68 -2.064 -9.928 5.489 1.00 0.00 O ATOM 0 H GLU A 68 -4.361 -8.750 0.339 1.00 0.00 H new ATOM 0 HA GLU A 68 -2.193 -9.371 2.079 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -4.271 -8.174 2.744 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -5.205 -9.623 2.432 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -4.822 -9.399 4.814 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -3.980 -10.815 4.216 1.00 0.00 H new ATOM 1063 N THR A 69 -3.977 -11.836 0.873 1.00 0.00 N ATOM 1064 CA THR A 69 -3.945 -13.274 0.629 1.00 0.00 C ATOM 1065 C THR A 69 -2.624 -13.695 -0.004 1.00 0.00 C ATOM 1066 O THR A 69 -2.067 -14.738 0.337 1.00 0.00 O ATOM 1067 CB THR A 69 -5.113 -13.709 -0.274 1.00 0.00 C ATOM 1068 OG1 THR A 69 -6.357 -13.394 0.364 1.00 0.00 O ATOM 1069 CG2 THR A 69 -5.050 -15.205 -0.543 1.00 0.00 C ATOM 0 H THR A 69 -4.693 -11.335 0.346 1.00 0.00 H new ATOM 0 HA THR A 69 -4.044 -13.768 1.595 1.00 0.00 H new ATOM 0 HB THR A 69 -5.038 -13.176 -1.222 1.00 0.00 H new ATOM 0 HG1 THR A 69 -7.100 -13.670 -0.213 1.00 0.00 H new ATOM 0 HG21 THR A 69 -5.883 -15.495 -1.183 1.00 0.00 H new ATOM 0 HG22 THR A 69 -4.110 -15.446 -1.040 1.00 0.00 H new ATOM 0 HG23 THR A 69 -5.111 -15.747 0.401 1.00 0.00 H new ATOM 1077 N ALA A 70 -2.129 -12.878 -0.927 1.00 0.00 N ATOM 1078 CA ALA A 70 -0.812 -13.093 -1.514 1.00 0.00 C ATOM 1079 C ALA A 70 0.281 -13.023 -0.455 1.00 0.00 C ATOM 1080 O ALA A 70 1.225 -13.813 -0.471 1.00 0.00 O ATOM 1081 CB ALA A 70 -0.549 -12.075 -2.614 1.00 0.00 C ATOM 0 H ALA A 70 -2.621 -12.059 -1.285 1.00 0.00 H new ATOM 0 HA ALA A 70 -0.797 -14.093 -1.948 1.00 0.00 H new ATOM 0 HB1 ALA A 70 0.438 -12.249 -3.042 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -1.305 -12.177 -3.392 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -0.591 -11.069 -2.196 1.00 0.00 H new ATOM 1087 N LEU A 71 0.147 -12.073 0.464 1.00 0.00 N ATOM 1088 CA LEU A 71 1.081 -11.946 1.576 1.00 0.00 C ATOM 1089 C LEU A 71 0.997 -13.148 2.507 1.00 0.00 C ATOM 1090 O LEU A 71 2.003 -13.583 3.068 1.00 0.00 O ATOM 1091 CB LEU A 71 0.796 -10.661 2.364 1.00 0.00 C ATOM 1092 CG LEU A 71 1.132 -9.349 1.642 1.00 0.00 C ATOM 1093 CD1 LEU A 71 0.633 -8.172 2.469 1.00 0.00 C ATOM 1094 CD2 LEU A 71 2.634 -9.263 1.417 1.00 0.00 C ATOM 0 H LEU A 71 -0.600 -11.379 0.460 1.00 0.00 H new ATOM 0 HA LEU A 71 2.088 -11.902 1.162 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -0.261 -10.647 2.631 1.00 0.00 H new ATOM 0 HB3 LEU A 71 1.360 -10.696 3.296 1.00 0.00 H new ATOM 0 HG LEU A 71 0.638 -9.321 0.671 1.00 0.00 H new ATOM 0 HD11 LEU A 71 0.872 -7.240 1.956 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -0.447 -8.249 2.598 1.00 0.00 H new ATOM 0 HD13 LEU A 71 1.116 -8.183 3.446 1.00 0.00 H new ATOM 0 HD21 LEU A 71 2.872 -8.331 0.904 1.00 0.00 H new ATOM 0 HD22 LEU A 71 3.148 -9.290 2.378 1.00 0.00 H new ATOM 0 HD23 LEU A 71 2.959 -10.106 0.807 1.00 0.00 H new ATOM 1106 N SER A 72 -0.209 -13.682 2.667 1.00 0.00 N ATOM 1107 CA SER A 72 -0.414 -14.886 3.465 1.00 0.00 C ATOM 1108 C SER A 72 0.337 -16.072 2.875 1.00 0.00 C ATOM 1109 O SER A 72 0.892 -16.893 3.606 1.00 0.00 O ATOM 1110 CB SER A 72 -1.894 -15.206 3.554 1.00 0.00 C ATOM 1111 OG SER A 72 -2.579 -14.219 4.274 1.00 0.00 O ATOM 0 H SER A 72 -1.060 -13.300 2.255 1.00 0.00 H new ATOM 0 HA SER A 72 -0.023 -14.698 4.465 1.00 0.00 H new ATOM 0 HB2 SER A 72 -2.313 -15.286 2.551 1.00 0.00 H new ATOM 0 HB3 SER A 72 -2.032 -16.174 4.036 1.00 0.00 H new ATOM 0 HG SER A 72 -2.576 -13.381 3.765 1.00 0.00 H new ATOM 1117 N ALA A 73 0.351 -16.158 1.549 1.00 0.00 N ATOM 1118 CA ALA A 73 1.160 -17.151 0.854 1.00 0.00 C ATOM 1119 C ALA A 73 2.642 -16.962 1.152 1.00 0.00 C ATOM 1120 O ALA A 73 3.362 -17.927 1.408 1.00 0.00 O ATOM 1121 CB ALA A 73 0.910 -17.083 -0.646 1.00 0.00 C ATOM 0 H ALA A 73 -0.190 -15.550 0.934 1.00 0.00 H new ATOM 0 HA ALA A 73 0.866 -18.136 1.217 1.00 0.00 H new ATOM 0 HB1 ALA A 73 1.522 -17.831 -1.151 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -0.143 -17.278 -0.849 1.00 0.00 H new ATOM 0 HB3 ALA A 73 1.172 -16.091 -1.014 1.00 0.00 H new ATOM 1127 N MET A 74 3.092 -15.712 1.119 1.00 0.00 N ATOM 1128 CA MET A 74 4.474 -15.386 1.450 1.00 0.00 C ATOM 1129 C MET A 74 4.794 -15.750 2.894 1.00 0.00 C ATOM 1130 O MET A 74 5.924 -16.119 3.215 1.00 0.00 O ATOM 1131 CB MET A 74 4.740 -13.903 1.201 1.00 0.00 C ATOM 1132 CG MET A 74 4.737 -13.500 -0.266 1.00 0.00 C ATOM 1133 SD MET A 74 4.906 -11.719 -0.499 1.00 0.00 S ATOM 1134 CE MET A 74 6.589 -11.463 0.056 1.00 0.00 C ATOM 0 H MET A 74 2.519 -14.907 0.866 1.00 0.00 H new ATOM 0 HA MET A 74 5.126 -15.974 0.804 1.00 0.00 H new ATOM 0 HB2 MET A 74 3.986 -13.318 1.727 1.00 0.00 H new ATOM 0 HB3 MET A 74 5.705 -13.642 1.635 1.00 0.00 H new ATOM 0 HG2 MET A 74 5.553 -14.009 -0.780 1.00 0.00 H new ATOM 0 HG3 MET A 74 3.809 -13.837 -0.729 1.00 0.00 H new ATOM 0 HE1 MET A 74 7.134 -10.886 -0.691 1.00 0.00 H new ATOM 0 HE2 MET A 74 6.582 -10.920 1.001 1.00 0.00 H new ATOM 0 HE3 MET A 74 7.077 -12.428 0.196 1.00 0.00 H new ATOM 1144 N ARG A 75 3.794 -15.643 3.762 1.00 0.00 N ATOM 1145 CA ARG A 75 3.953 -16.010 5.164 1.00 0.00 C ATOM 1146 C ARG A 75 3.957 -17.523 5.340 1.00 0.00 C ATOM 1147 O ARG A 75 4.769 -18.068 6.087 1.00 0.00 O ATOM 1148 CB ARG A 75 2.838 -15.407 6.005 1.00 0.00 C ATOM 1149 CG ARG A 75 2.958 -13.911 6.249 1.00 0.00 C ATOM 1150 CD ARG A 75 2.018 -13.449 7.302 1.00 0.00 C ATOM 1151 NE ARG A 75 0.637 -13.475 6.845 1.00 0.00 N ATOM 1152 CZ ARG A 75 -0.020 -12.416 6.335 1.00 0.00 C ATOM 1153 NH1 ARG A 75 0.589 -11.256 6.222 1.00 0.00 N ATOM 1154 NH2 ARG A 75 -1.278 -12.542 5.948 1.00 0.00 N ATOM 0 H ARG A 75 2.863 -15.304 3.519 1.00 0.00 H new ATOM 0 HA ARG A 75 4.912 -15.616 5.499 1.00 0.00 H new ATOM 0 HB2 ARG A 75 1.885 -15.605 5.515 1.00 0.00 H new ATOM 0 HB3 ARG A 75 2.813 -15.917 6.968 1.00 0.00 H new ATOM 0 HG2 ARG A 75 3.980 -13.671 6.543 1.00 0.00 H new ATOM 0 HG3 ARG A 75 2.758 -13.374 5.322 1.00 0.00 H new ATOM 0 HD2 ARG A 75 2.121 -14.082 8.184 1.00 0.00 H new ATOM 0 HD3 ARG A 75 2.281 -12.436 7.605 1.00 0.00 H new ATOM 0 HE ARG A 75 0.131 -14.358 6.916 1.00 0.00 H new ATOM 0 HH11 ARG A 75 1.559 -11.158 6.521 1.00 0.00 H new ATOM 0 HH12 ARG A 75 0.091 -10.454 5.836 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -1.751 -13.441 6.036 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -1.776 -11.740 5.562 1.00 0.00 H new ATOM 1168 N ASN A 76 3.045 -18.196 4.648 1.00 0.00 N ATOM 1169 CA ASN A 76 2.746 -19.595 4.931 1.00 0.00 C ATOM 1170 C ASN A 76 3.547 -20.523 4.027 1.00 0.00 C ATOM 1171 O ASN A 76 4.231 -21.430 4.502 1.00 0.00 O ATOM 1172 CB ASN A 76 1.259 -19.863 4.789 1.00 0.00 C ATOM 1173 CG ASN A 76 0.451 -19.238 5.892 1.00 0.00 C ATOM 1174 OD1 ASN A 76 0.980 -18.924 6.965 1.00 0.00 O ATOM 1175 ND2 ASN A 76 -0.821 -19.051 5.650 1.00 0.00 N ATOM 0 H ASN A 76 2.499 -17.795 3.886 1.00 0.00 H new ATOM 0 HA ASN A 76 3.037 -19.798 5.962 1.00 0.00 H new ATOM 0 HB2 ASN A 76 0.914 -19.479 3.829 1.00 0.00 H new ATOM 0 HB3 ASN A 76 1.087 -20.939 4.782 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -1.419 -18.631 6.361 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -1.215 -19.326 4.750 1.00 0.00 H new ATOM 1182 N LEU A 77 3.458 -20.291 2.722 1.00 0.00 N ATOM 1183 CA LEU A 77 4.001 -21.222 1.740 1.00 0.00 C ATOM 1184 C LEU A 77 5.515 -21.091 1.634 1.00 0.00 C ATOM 1185 O LEU A 77 6.217 -22.071 1.383 1.00 0.00 O ATOM 1186 CB LEU A 77 3.363 -20.976 0.367 1.00 0.00 C ATOM 1187 CG LEU A 77 1.872 -21.319 0.255 1.00 0.00 C ATOM 1188 CD1 LEU A 77 1.386 -21.017 -1.156 1.00 0.00 C ATOM 1189 CD2 LEU A 77 1.660 -22.784 0.605 1.00 0.00 C ATOM 0 H LEU A 77 3.015 -19.465 2.319 1.00 0.00 H new ATOM 0 HA LEU A 77 3.766 -22.233 2.073 1.00 0.00 H new ATOM 0 HB2 LEU A 77 3.496 -19.926 0.108 1.00 0.00 H new ATOM 0 HB3 LEU A 77 3.908 -21.559 -0.376 1.00 0.00 H new ATOM 0 HG LEU A 77 1.296 -20.712 0.954 1.00 0.00 H new ATOM 0 HD11 LEU A 77 0.327 -21.261 -1.236 1.00 0.00 H new ATOM 0 HD12 LEU A 77 1.532 -19.959 -1.373 1.00 0.00 H new ATOM 0 HD13 LEU A 77 1.951 -21.615 -1.871 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.601 -23.027 0.525 1.00 0.00 H new ATOM 0 HD22 LEU A 77 2.229 -23.409 -0.084 1.00 0.00 H new ATOM 0 HD23 LEU A 77 1.999 -22.967 1.625 1.00 0.00 H new ATOM 1201 N ASN A 78 6.013 -19.875 1.828 1.00 0.00 N ATOM 1202 CA ASN A 78 7.448 -19.619 1.787 1.00 0.00 C ATOM 1203 C ASN A 78 8.163 -20.303 2.945 1.00 0.00 C ATOM 1204 O ASN A 78 8.042 -19.884 4.096 1.00 0.00 O ATOM 1205 CB ASN A 78 7.725 -18.127 1.795 1.00 0.00 C ATOM 1206 CG ASN A 78 9.180 -17.808 1.594 1.00 0.00 C ATOM 1207 OD1 ASN A 78 10.058 -18.472 2.158 1.00 0.00 O ATOM 1208 ND2 ASN A 78 9.454 -16.804 0.801 1.00 0.00 N ATOM 0 H ASN A 78 5.443 -19.050 2.015 1.00 0.00 H new ATOM 0 HA ASN A 78 7.836 -20.038 0.859 1.00 0.00 H new ATOM 0 HB2 ASN A 78 7.140 -17.648 1.010 1.00 0.00 H new ATOM 0 HB3 ASN A 78 7.392 -17.704 2.743 1.00 0.00 H new ATOM 0 HD21 ASN A 78 10.424 -16.541 0.627 1.00 0.00 H new ATOM 0 HD22 ASN A 78 8.697 -16.284 0.357 1.00 0.00 H new ATOM 1215 N GLY A 79 8.909 -21.357 2.633 1.00 0.00 N ATOM 1216 CA GLY A 79 9.619 -22.122 3.652 1.00 0.00 C ATOM 1217 C GLY A 79 8.874 -23.405 3.996 1.00 0.00 C ATOM 1218 O GLY A 79 9.329 -24.195 4.823 1.00 0.00 O ATOM 0 H GLY A 79 9.038 -21.702 1.682 1.00 0.00 H new ATOM 0 HA2 GLY A 79 10.621 -22.364 3.297 1.00 0.00 H new ATOM 0 HA3 GLY A 79 9.737 -21.515 4.550 1.00 0.00 H new ATOM 1222 N ARG A 80 7.727 -23.607 3.357 1.00 0.00 N ATOM 1223 CA ARG A 80 6.920 -24.799 3.589 1.00 0.00 C ATOM 1224 C ARG A 80 7.318 -25.926 2.644 1.00 0.00 C ATOM 1225 O ARG A 80 7.313 -25.758 1.425 1.00 0.00 O ATOM 1226 CB ARG A 80 5.441 -24.488 3.408 1.00 0.00 C ATOM 1227 CG ARG A 80 4.509 -25.670 3.619 1.00 0.00 C ATOM 1228 CD ARG A 80 3.088 -25.293 3.408 1.00 0.00 C ATOM 1229 NE ARG A 80 2.201 -26.441 3.506 1.00 0.00 N ATOM 1230 CZ ARG A 80 0.886 -26.419 3.216 1.00 0.00 C ATOM 1231 NH1 ARG A 80 0.320 -25.303 2.814 1.00 0.00 N ATOM 1232 NH2 ARG A 80 0.164 -27.520 3.337 1.00 0.00 N ATOM 0 H ARG A 80 7.335 -22.960 2.673 1.00 0.00 H new ATOM 0 HA ARG A 80 7.099 -25.121 4.615 1.00 0.00 H new ATOM 0 HB2 ARG A 80 5.163 -23.696 4.104 1.00 0.00 H new ATOM 0 HB3 ARG A 80 5.287 -24.097 2.402 1.00 0.00 H new ATOM 0 HG2 ARG A 80 4.778 -26.473 2.933 1.00 0.00 H new ATOM 0 HG3 ARG A 80 4.636 -26.058 4.630 1.00 0.00 H new ATOM 0 HD2 ARG A 80 2.797 -24.546 4.147 1.00 0.00 H new ATOM 0 HD3 ARG A 80 2.977 -24.831 2.427 1.00 0.00 H new ATOM 0 HE ARG A 80 2.603 -27.326 3.816 1.00 0.00 H new ATOM 0 HH11 ARG A 80 0.877 -24.453 2.722 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -0.676 -25.287 2.594 1.00 0.00 H new ATOM 0 HH21 ARG A 80 0.603 -28.386 3.650 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -0.832 -27.503 3.117 1.00 0.00 H new ATOM 1246 N GLU A 81 7.662 -27.075 3.215 1.00 0.00 N ATOM 1247 CA GLU A 81 8.065 -28.232 2.425 1.00 0.00 C ATOM 1248 C GLU A 81 6.928 -28.715 1.534 1.00 0.00 C ATOM 1249 O GLU A 81 5.831 -29.002 2.013 1.00 0.00 O ATOM 1250 CB GLU A 81 8.527 -29.369 3.340 1.00 0.00 C ATOM 1251 CG GLU A 81 9.046 -30.596 2.605 1.00 0.00 C ATOM 1252 CD GLU A 81 9.509 -31.683 3.536 1.00 0.00 C ATOM 1253 OE1 GLU A 81 9.479 -31.473 4.725 1.00 0.00 O ATOM 1254 OE2 GLU A 81 9.894 -32.723 3.057 1.00 0.00 O ATOM 0 H GLU A 81 7.670 -27.230 4.223 1.00 0.00 H new ATOM 0 HA GLU A 81 8.894 -27.926 1.787 1.00 0.00 H new ATOM 0 HB2 GLU A 81 9.313 -28.994 3.996 1.00 0.00 H new ATOM 0 HB3 GLU A 81 7.694 -29.667 3.977 1.00 0.00 H new ATOM 0 HG2 GLU A 81 8.259 -30.987 1.960 1.00 0.00 H new ATOM 0 HG3 GLU A 81 9.872 -30.303 1.957 1.00 0.00 H new ATOM 1261 N PHE A 82 7.196 -28.803 0.236 1.00 0.00 N ATOM 1262 CA PHE A 82 6.243 -29.379 -0.706 1.00 0.00 C ATOM 1263 C PHE A 82 6.828 -30.600 -1.403 1.00 0.00 C ATOM 1264 O PHE A 82 7.598 -30.475 -2.355 1.00 0.00 O ATOM 1265 CB PHE A 82 5.829 -28.339 -1.749 1.00 0.00 C ATOM 1266 CG PHE A 82 4.797 -28.835 -2.721 1.00 0.00 C ATOM 1267 CD1 PHE A 82 3.786 -29.690 -2.306 1.00 0.00 C ATOM 1268 CD2 PHE A 82 4.833 -28.448 -4.052 1.00 0.00 C ATOM 1269 CE1 PHE A 82 2.836 -30.146 -3.200 1.00 0.00 C ATOM 1270 CE2 PHE A 82 3.884 -28.901 -4.947 1.00 0.00 C ATOM 1271 CZ PHE A 82 2.884 -29.752 -4.520 1.00 0.00 C ATOM 0 H PHE A 82 8.066 -28.482 -0.188 1.00 0.00 H new ATOM 0 HA PHE A 82 5.365 -29.691 -0.141 1.00 0.00 H new ATOM 0 HB2 PHE A 82 5.439 -27.459 -1.237 1.00 0.00 H new ATOM 0 HB3 PHE A 82 6.713 -28.021 -2.302 1.00 0.00 H new ATOM 0 HD1 PHE A 82 3.741 -30.002 -1.273 1.00 0.00 H new ATOM 0 HD2 PHE A 82 5.613 -27.784 -4.393 1.00 0.00 H new ATOM 0 HE1 PHE A 82 2.055 -30.812 -2.864 1.00 0.00 H new ATOM 0 HE2 PHE A 82 3.924 -28.590 -5.980 1.00 0.00 H new ATOM 0 HZ PHE A 82 2.141 -30.108 -5.219 1.00 0.00 H new ATOM 1281 N SER A 83 6.457 -31.783 -0.923 1.00 0.00 N ATOM 1282 CA SER A 83 6.952 -33.030 -1.493 1.00 0.00 C ATOM 1283 C SER A 83 8.474 -33.046 -1.546 1.00 0.00 C ATOM 1284 O SER A 83 9.067 -33.562 -2.494 1.00 0.00 O ATOM 1285 CB SER A 83 6.387 -33.228 -2.886 1.00 0.00 C ATOM 1286 OG SER A 83 4.988 -33.312 -2.854 1.00 0.00 O ATOM 0 H SER A 83 5.815 -31.904 -0.140 1.00 0.00 H new ATOM 0 HA SER A 83 6.624 -33.847 -0.850 1.00 0.00 H new ATOM 0 HB2 SER A 83 6.690 -32.400 -3.526 1.00 0.00 H new ATOM 0 HB3 SER A 83 6.799 -34.137 -3.324 1.00 0.00 H new ATOM 0 HG SER A 83 4.647 -33.438 -3.764 1.00 0.00 H new ATOM 1292 N GLY A 84 9.102 -32.478 -0.522 1.00 0.00 N ATOM 1293 CA GLY A 84 10.551 -32.556 -0.373 1.00 0.00 C ATOM 1294 C GLY A 84 11.203 -31.200 -0.610 1.00 0.00 C ATOM 1295 O GLY A 84 12.284 -30.921 -0.092 1.00 0.00 O ATOM 0 H GLY A 84 8.630 -31.958 0.218 1.00 0.00 H new ATOM 0 HA2 GLY A 84 10.798 -32.911 0.628 1.00 0.00 H new ATOM 0 HA3 GLY A 84 10.953 -33.284 -1.078 1.00 0.00 H new ATOM 1299 N ARG A 85 10.538 -30.358 -1.395 1.00 0.00 N ATOM 1300 CA ARG A 85 11.096 -29.068 -1.780 1.00 0.00 C ATOM 1301 C ARG A 85 10.390 -27.926 -1.061 1.00 0.00 C ATOM 1302 O ARG A 85 9.212 -27.661 -1.302 1.00 0.00 O ATOM 1303 CB ARG A 85 10.983 -28.863 -3.284 1.00 0.00 C ATOM 1304 CG ARG A 85 11.808 -29.825 -4.124 1.00 0.00 C ATOM 1305 CD ARG A 85 13.264 -29.577 -3.972 1.00 0.00 C ATOM 1306 NE ARG A 85 13.648 -28.269 -4.478 1.00 0.00 N ATOM 1307 CZ ARG A 85 13.993 -28.015 -5.756 1.00 0.00 C ATOM 1308 NH1 ARG A 85 13.997 -28.986 -6.642 1.00 0.00 N ATOM 1309 NH2 ARG A 85 14.327 -26.788 -6.118 1.00 0.00 N ATOM 0 H ARG A 85 9.611 -30.547 -1.777 1.00 0.00 H new ATOM 0 HA ARG A 85 12.147 -29.067 -1.492 1.00 0.00 H new ATOM 0 HB2 ARG A 85 9.936 -28.958 -3.572 1.00 0.00 H new ATOM 0 HB3 ARG A 85 11.287 -27.844 -3.521 1.00 0.00 H new ATOM 0 HG2 ARG A 85 11.581 -30.850 -3.832 1.00 0.00 H new ATOM 0 HG3 ARG A 85 11.529 -29.724 -5.173 1.00 0.00 H new ATOM 0 HD2 ARG A 85 13.537 -29.653 -2.920 1.00 0.00 H new ATOM 0 HD3 ARG A 85 13.821 -30.349 -4.503 1.00 0.00 H new ATOM 0 HE ARG A 85 13.657 -27.490 -3.820 1.00 0.00 H new ATOM 0 HH11 ARG A 85 13.739 -29.932 -6.363 1.00 0.00 H new ATOM 0 HH12 ARG A 85 14.258 -28.793 -7.609 1.00 0.00 H new ATOM 0 HH21 ARG A 85 14.323 -26.035 -5.430 1.00 0.00 H new ATOM 0 HH22 ARG A 85 14.588 -26.595 -7.085 1.00 0.00 H new ATOM 1323 N ALA A 86 11.117 -27.252 -0.176 1.00 0.00 N ATOM 1324 CA ALA A 86 10.594 -26.074 0.506 1.00 0.00 C ATOM 1325 C ALA A 86 10.342 -24.936 -0.475 1.00 0.00 C ATOM 1326 O ALA A 86 11.268 -24.443 -1.120 1.00 0.00 O ATOM 1327 CB ALA A 86 11.553 -25.626 1.600 1.00 0.00 C ATOM 0 H ALA A 86 12.071 -27.502 0.086 1.00 0.00 H new ATOM 0 HA ALA A 86 9.641 -26.344 0.961 1.00 0.00 H new ATOM 0 HB1 ALA A 86 11.149 -24.746 2.100 1.00 0.00 H new ATOM 0 HB2 ALA A 86 11.679 -26.430 2.325 1.00 0.00 H new ATOM 0 HB3 ALA A 86 12.519 -25.381 1.159 1.00 0.00 H new ATOM 1333 N LEU A 87 9.084 -24.522 -0.583 1.00 0.00 N ATOM 1334 CA LEU A 87 8.681 -23.553 -1.595 1.00 0.00 C ATOM 1335 C LEU A 87 9.233 -22.168 -1.282 1.00 0.00 C ATOM 1336 O LEU A 87 9.285 -21.758 -0.123 1.00 0.00 O ATOM 1337 CB LEU A 87 7.151 -23.491 -1.690 1.00 0.00 C ATOM 1338 CG LEU A 87 6.466 -24.758 -2.218 1.00 0.00 C ATOM 1339 CD1 LEU A 87 4.955 -24.600 -2.112 1.00 0.00 C ATOM 1340 CD2 LEU A 87 6.891 -25.003 -3.658 1.00 0.00 C ATOM 0 H LEU A 87 8.325 -24.843 0.019 1.00 0.00 H new ATOM 0 HA LEU A 87 9.090 -23.878 -2.551 1.00 0.00 H new ATOM 0 HB2 LEU A 87 6.752 -23.270 -0.700 1.00 0.00 H new ATOM 0 HB3 LEU A 87 6.879 -22.657 -2.336 1.00 0.00 H new ATOM 0 HG LEU A 87 6.764 -25.620 -1.621 1.00 0.00 H new ATOM 0 HD11 LEU A 87 4.468 -25.500 -2.487 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.678 -24.445 -1.069 1.00 0.00 H new ATOM 0 HD13 LEU A 87 4.637 -23.742 -2.704 1.00 0.00 H new ATOM 0 HD21 LEU A 87 6.404 -25.903 -4.033 1.00 0.00 H new ATOM 0 HD22 LEU A 87 6.601 -24.151 -4.273 1.00 0.00 H new ATOM 0 HD23 LEU A 87 7.973 -25.131 -3.701 1.00 0.00 H new ATOM 1352 N ARG A 88 9.644 -21.452 -2.323 1.00 0.00 N ATOM 1353 CA ARG A 88 9.964 -20.035 -2.199 1.00 0.00 C ATOM 1354 C ARG A 88 8.867 -19.167 -2.803 1.00 0.00 C ATOM 1355 O ARG A 88 8.616 -19.216 -4.007 1.00 0.00 O ATOM 1356 CB ARG A 88 11.287 -19.723 -2.883 1.00 0.00 C ATOM 1357 CG ARG A 88 11.686 -18.256 -2.866 1.00 0.00 C ATOM 1358 CD ARG A 88 13.085 -18.062 -3.324 1.00 0.00 C ATOM 1359 NE ARG A 88 13.248 -18.402 -4.729 1.00 0.00 N ATOM 1360 CZ ARG A 88 13.029 -17.554 -5.752 1.00 0.00 C ATOM 1361 NH1 ARG A 88 12.638 -16.321 -5.512 1.00 0.00 N ATOM 1362 NH2 ARG A 88 13.205 -17.960 -6.997 1.00 0.00 N ATOM 0 H ARG A 88 9.763 -21.830 -3.263 1.00 0.00 H new ATOM 0 HA ARG A 88 10.044 -19.810 -1.136 1.00 0.00 H new ATOM 0 HB2 ARG A 88 12.074 -20.304 -2.402 1.00 0.00 H new ATOM 0 HB3 ARG A 88 11.232 -20.057 -3.919 1.00 0.00 H new ATOM 0 HG2 ARG A 88 11.011 -17.688 -3.507 1.00 0.00 H new ATOM 0 HG3 ARG A 88 11.575 -17.860 -1.856 1.00 0.00 H new ATOM 0 HD2 ARG A 88 13.378 -17.024 -3.165 1.00 0.00 H new ATOM 0 HD3 ARG A 88 13.753 -18.678 -2.722 1.00 0.00 H new ATOM 0 HE ARG A 88 13.550 -19.350 -4.955 1.00 0.00 H new ATOM 0 HH11 ARG A 88 12.501 -16.007 -4.551 1.00 0.00 H new ATOM 0 HH12 ARG A 88 12.472 -15.679 -6.287 1.00 0.00 H new ATOM 0 HH21 ARG A 88 13.507 -18.916 -7.184 1.00 0.00 H new ATOM 0 HH22 ARG A 88 13.039 -17.317 -7.771 1.00 0.00 H new ATOM 1376 N VAL A 89 8.216 -18.373 -1.959 1.00 0.00 N ATOM 1377 CA VAL A 89 7.135 -17.502 -2.406 1.00 0.00 C ATOM 1378 C VAL A 89 7.448 -16.041 -2.111 1.00 0.00 C ATOM 1379 O VAL A 89 7.435 -15.614 -0.956 1.00 0.00 O ATOM 1380 CB VAL A 89 5.815 -17.891 -1.715 1.00 0.00 C ATOM 1381 CG1 VAL A 89 4.689 -16.970 -2.160 1.00 0.00 C ATOM 1382 CG2 VAL A 89 5.478 -19.343 -2.022 1.00 0.00 C ATOM 0 H VAL A 89 8.418 -18.315 -0.961 1.00 0.00 H new ATOM 0 HA VAL A 89 7.033 -17.626 -3.484 1.00 0.00 H new ATOM 0 HB VAL A 89 5.934 -17.781 -0.637 1.00 0.00 H new ATOM 0 HG11 VAL A 89 3.764 -17.259 -1.662 1.00 0.00 H new ATOM 0 HG12 VAL A 89 4.936 -15.941 -1.898 1.00 0.00 H new ATOM 0 HG13 VAL A 89 4.560 -17.049 -3.239 1.00 0.00 H new ATOM 0 HG21 VAL A 89 4.543 -19.611 -1.530 1.00 0.00 H new ATOM 0 HG22 VAL A 89 5.371 -19.472 -3.099 1.00 0.00 H new ATOM 0 HG23 VAL A 89 6.278 -19.987 -1.657 1.00 0.00 H new ATOM 1392 N ASP A 90 7.729 -15.278 -3.161 1.00 0.00 N ATOM 1393 CA ASP A 90 8.051 -13.863 -3.016 1.00 0.00 C ATOM 1394 C ASP A 90 7.004 -12.988 -3.692 1.00 0.00 C ATOM 1395 O ASP A 90 6.143 -13.482 -4.420 1.00 0.00 O ATOM 1396 CB ASP A 90 9.432 -13.564 -3.606 1.00 0.00 C ATOM 1397 CG ASP A 90 10.547 -14.350 -2.930 1.00 0.00 C ATOM 1398 OD1 ASP A 90 10.405 -14.672 -1.774 1.00 0.00 O ATOM 1399 OD2 ASP A 90 11.531 -14.621 -3.576 1.00 0.00 O ATOM 0 H ASP A 90 7.740 -15.616 -4.123 1.00 0.00 H new ATOM 0 HA ASP A 90 8.058 -13.633 -1.951 1.00 0.00 H new ATOM 0 HB2 ASP A 90 9.425 -13.796 -4.671 1.00 0.00 H new ATOM 0 HB3 ASP A 90 9.638 -12.498 -3.513 1.00 0.00 H new ATOM 1404 N ASN A 91 7.081 -11.684 -3.447 1.00 0.00 N ATOM 1405 CA ASN A 91 6.186 -10.729 -4.088 1.00 0.00 C ATOM 1406 C ASN A 91 6.576 -10.498 -5.542 1.00 0.00 C ATOM 1407 O ASN A 91 7.673 -10.020 -5.832 1.00 0.00 O ATOM 1408 CB ASN A 91 6.169 -9.417 -3.324 1.00 0.00 C ATOM 1409 CG ASN A 91 5.117 -8.469 -3.828 1.00 0.00 C ATOM 1410 OD1 ASN A 91 4.683 -8.560 -4.982 1.00 0.00 O ATOM 1411 ND2 ASN A 91 4.698 -7.560 -2.985 1.00 0.00 N ATOM 0 H ASN A 91 7.756 -11.264 -2.808 1.00 0.00 H new ATOM 0 HA ASN A 91 5.181 -11.151 -4.074 1.00 0.00 H new ATOM 0 HB2 ASN A 91 5.995 -9.618 -2.267 1.00 0.00 H new ATOM 0 HB3 ASN A 91 7.147 -8.943 -3.401 1.00 0.00 H new ATOM 0 HD21 ASN A 91 3.985 -6.889 -3.271 1.00 0.00 H new ATOM 0 HD22 ASN A 91 5.085 -7.522 -2.042 1.00 0.00 H new ATOM 1418 N ALA A 92 5.672 -10.840 -6.453 1.00 0.00 N ATOM 1419 CA ALA A 92 5.968 -10.796 -7.880 1.00 0.00 C ATOM 1420 C ALA A 92 6.239 -9.371 -8.343 1.00 0.00 C ATOM 1421 O ALA A 92 6.877 -9.153 -9.373 1.00 0.00 O ATOM 1422 CB ALA A 92 4.823 -11.403 -8.678 1.00 0.00 C ATOM 0 H ALA A 92 4.727 -11.151 -6.228 1.00 0.00 H new ATOM 0 HA ALA A 92 6.869 -11.384 -8.054 1.00 0.00 H new ATOM 0 HB1 ALA A 92 5.059 -11.363 -9.741 1.00 0.00 H new ATOM 0 HB2 ALA A 92 4.680 -12.441 -8.377 1.00 0.00 H new ATOM 0 HB3 ALA A 92 3.909 -10.841 -8.488 1.00 0.00 H new ATOM 1428 N ALA A 93 5.751 -8.402 -7.576 1.00 0.00 N ATOM 1429 CA ALA A 93 5.931 -6.995 -7.912 1.00 0.00 C ATOM 1430 C ALA A 93 7.387 -6.573 -7.754 1.00 0.00 C ATOM 1431 O ALA A 93 7.818 -5.571 -8.325 1.00 0.00 O ATOM 1432 CB ALA A 93 5.032 -6.124 -7.046 1.00 0.00 C ATOM 0 H ALA A 93 5.227 -8.566 -6.716 1.00 0.00 H new ATOM 0 HA ALA A 93 5.652 -6.861 -8.957 1.00 0.00 H new ATOM 0 HB1 ALA A 93 5.178 -5.076 -7.309 1.00 0.00 H new ATOM 0 HB2 ALA A 93 3.990 -6.398 -7.212 1.00 0.00 H new ATOM 0 HB3 ALA A 93 5.283 -6.273 -5.996 1.00 0.00 H new