USER MOD reduce.3.24.130724 H: found=0, std=0, add=617, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 618 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 37 TYR OH : rot -15:sc= -3.96! USER MOD Set 1.2: A 62 TYR OH : rot 84:sc= -3.34! USER MOD Single : A 12 LYS NZ :NH3+ -141:sc=-0.00272 (180deg=-0.102) USER MOD Single : A 14 THR OG1 : rot 162:sc= -8.57! USER MOD Single : A 15 ASN :FLIP amide:sc= -0.0199 F(o=-1,f=-0.02) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 32:sc= 0.263! USER MOD Single : A 20 ASN : amide:sc= -4.26! C(o=-4.3!,f=-11!) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.0397 USER MOD Single : A 29 GLN : amide:sc= -0.512 K(o=-0.51,f=-6.4!) USER MOD Single : A 32 THR OG1 : rot 26:sc= 0.0598 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0.00349 USER MOD Single : A 42 GLN : amide:sc= -1.68 K(o=-1.7,f=-3.8!) USER MOD Single : A 43 LYS NZ :NH3+ -115:sc= -3.46 (180deg=-7.8!) USER MOD Single : A 44 ASN : amide:sc= -0.53 X(o=-0.53,f=-0.55) USER MOD Single : A 63 ASN :FLIP amide:sc= -9.8! C(o=-11!,f=-9.8!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= -0.234 K(o=-0.23,f=-2.9!) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 76 ASN :FLIP amide:sc= -3.38! C(o=-5.8!,f=-3.4!) USER MOD Single : A 77 ASN : amide:sc= -1.32! C(o=-1.3!,f=-3.1!) USER MOD Single : A 84 SER OG : rot 61:sc= 0.14 USER MOD Single : A 85 GLN : amide:sc= -1.72 K(o=-1.7,f=-2.7) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 95 HIS : no HD1:sc= -0.216 X(o=-0.22,f=-0.65) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 159 N LYS A 12 -8.244 -2.427 -11.109 1.00 0.00 N ATOM 160 CA LYS A 12 -8.332 -1.076 -11.716 1.00 0.00 C ATOM 161 C LYS A 12 -7.400 -0.135 -10.970 1.00 0.00 C ATOM 162 O LYS A 12 -6.308 0.151 -11.418 1.00 0.00 O ATOM 163 CB LYS A 12 -9.769 -0.562 -11.619 1.00 0.00 C ATOM 164 CG LYS A 12 -10.358 -0.433 -13.024 1.00 0.00 C ATOM 165 CD LYS A 12 -10.286 1.026 -13.474 1.00 0.00 C ATOM 166 CE LYS A 12 -11.348 1.284 -14.544 1.00 0.00 C ATOM 167 NZ LYS A 12 -12.682 1.430 -13.897 1.00 0.00 N ATOM 0 HA LYS A 12 -8.041 -1.125 -12.765 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -10.372 -1.246 -11.021 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -9.788 0.404 -11.115 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -9.809 -1.067 -13.720 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -11.393 -0.776 -13.029 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -10.444 1.688 -12.623 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -9.295 1.247 -13.870 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -11.103 2.187 -15.104 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -11.367 0.461 -15.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -13.405 0.966 -14.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -12.662 0.986 -12.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -12.911 2.440 -13.799 1.00 0.00 H new ATOM 181 N ASP A 13 -7.808 0.353 -9.833 1.00 0.00 N ATOM 182 CA ASP A 13 -6.909 1.267 -9.091 1.00 0.00 C ATOM 183 C ASP A 13 -7.298 1.371 -7.616 1.00 0.00 C ATOM 184 O ASP A 13 -8.089 2.206 -7.225 1.00 0.00 O ATOM 185 CB ASP A 13 -6.958 2.659 -9.724 1.00 0.00 C ATOM 186 CG ASP A 13 -8.412 3.131 -9.808 1.00 0.00 C ATOM 187 OD1 ASP A 13 -9.258 2.321 -10.151 1.00 0.00 O ATOM 188 OD2 ASP A 13 -8.654 4.293 -9.527 1.00 0.00 O ATOM 0 H ASP A 13 -8.709 0.161 -9.394 1.00 0.00 H new ATOM 0 HA ASP A 13 -5.900 0.859 -9.148 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -6.371 3.360 -9.132 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -6.515 2.633 -10.719 1.00 0.00 H new ATOM 193 N THR A 14 -6.702 0.560 -6.794 1.00 0.00 N ATOM 194 CA THR A 14 -6.973 0.629 -5.333 1.00 0.00 C ATOM 195 C THR A 14 -5.671 0.322 -4.600 1.00 0.00 C ATOM 196 O THR A 14 -5.647 -0.399 -3.623 1.00 0.00 O ATOM 197 CB THR A 14 -8.050 -0.372 -4.921 1.00 0.00 C ATOM 198 OG1 THR A 14 -7.435 -1.604 -4.583 1.00 0.00 O ATOM 199 CG2 THR A 14 -9.043 -0.565 -6.070 1.00 0.00 C ATOM 0 H THR A 14 -6.031 -0.156 -7.073 1.00 0.00 H new ATOM 0 HA THR A 14 -7.337 1.624 -5.078 1.00 0.00 H new ATOM 0 HB THR A 14 -8.594 0.004 -4.054 1.00 0.00 H new ATOM 0 HG1 THR A 14 -8.059 -2.149 -4.060 1.00 0.00 H new ATOM 0 HG21 THR A 14 -9.810 -1.280 -5.772 1.00 0.00 H new ATOM 0 HG22 THR A 14 -9.511 0.390 -6.311 1.00 0.00 H new ATOM 0 HG23 THR A 14 -8.516 -0.942 -6.947 1.00 0.00 H new ATOM 207 N ASN A 15 -4.583 0.885 -5.060 1.00 0.00 N ATOM 208 CA ASN A 15 -3.280 0.649 -4.383 1.00 0.00 C ATOM 209 C ASN A 15 -3.320 1.491 -3.115 1.00 0.00 C ATOM 210 O ASN A 15 -4.057 2.453 -3.045 1.00 0.00 O ATOM 211 CB ASN A 15 -2.140 1.136 -5.282 1.00 0.00 C ATOM 212 CG ASN A 15 -2.487 2.517 -5.846 1.00 0.00 C ATOM 213 OD1 ASN A 15 -2.385 3.566 -5.077 1.00 0.00 O flip ATOM 214 ND2 ASN A 15 -2.856 2.641 -6.997 1.00 0.00 N flip ATOM 0 H ASN A 15 -4.544 1.497 -5.875 1.00 0.00 H new ATOM 0 HA ASN A 15 -3.118 -0.407 -4.168 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -1.211 1.187 -4.714 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -1.978 0.430 -6.096 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -2.936 1.821 -7.598 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -3.086 3.565 -7.362 1.00 0.00 H new ATOM 221 N LEU A 16 -2.584 1.157 -2.100 1.00 0.00 N ATOM 222 CA LEU A 16 -2.687 1.996 -0.868 1.00 0.00 C ATOM 223 C LEU A 16 -1.543 2.996 -0.816 1.00 0.00 C ATOM 224 O LEU A 16 -0.427 2.701 -1.179 1.00 0.00 O ATOM 225 CB LEU A 16 -2.677 1.149 0.418 1.00 0.00 C ATOM 226 CG LEU A 16 -2.409 -0.329 0.126 1.00 0.00 C ATOM 227 CD1 LEU A 16 -2.475 -1.109 1.438 1.00 0.00 C ATOM 228 CD2 LEU A 16 -3.476 -0.883 -0.824 1.00 0.00 C ATOM 0 H LEU A 16 -1.936 0.370 -2.060 1.00 0.00 H new ATOM 0 HA LEU A 16 -3.642 2.519 -0.920 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.914 1.529 1.097 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.636 1.250 0.927 1.00 0.00 H new ATOM 0 HG LEU A 16 -1.427 -0.430 -0.335 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -2.286 -2.165 1.244 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -1.722 -0.726 2.127 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.464 -0.993 1.881 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.274 -1.935 -1.024 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -4.459 -0.783 -0.365 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -3.455 -0.325 -1.760 1.00 0.00 H new ATOM 240 N TYR A 17 -1.820 4.179 -0.343 1.00 0.00 N ATOM 241 CA TYR A 17 -0.756 5.208 -0.238 1.00 0.00 C ATOM 242 C TYR A 17 0.071 4.884 0.999 1.00 0.00 C ATOM 243 O TYR A 17 -0.100 5.475 2.045 1.00 0.00 O ATOM 244 CB TYR A 17 -1.400 6.589 -0.078 1.00 0.00 C ATOM 245 CG TYR A 17 -0.586 7.627 -0.813 1.00 0.00 C ATOM 246 CD1 TYR A 17 -0.500 7.594 -2.209 1.00 0.00 C ATOM 247 CD2 TYR A 17 0.074 8.629 -0.093 1.00 0.00 C ATOM 248 CE1 TYR A 17 0.249 8.563 -2.887 1.00 0.00 C ATOM 249 CE2 TYR A 17 0.820 9.599 -0.771 1.00 0.00 C ATOM 250 CZ TYR A 17 0.910 9.567 -2.168 1.00 0.00 C ATOM 251 OH TYR A 17 1.648 10.522 -2.834 1.00 0.00 O ATOM 0 H TYR A 17 -2.742 4.476 -0.024 1.00 0.00 H new ATOM 0 HA TYR A 17 -0.129 5.213 -1.130 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -2.418 6.572 -0.466 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -1.466 6.848 0.979 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -1.011 6.821 -2.763 1.00 0.00 H new ATOM 0 HD2 TYR A 17 0.008 8.653 0.985 1.00 0.00 H new ATOM 0 HE1 TYR A 17 0.317 8.536 -3.965 1.00 0.00 H new ATOM 0 HE2 TYR A 17 1.327 10.374 -0.216 1.00 0.00 H new ATOM 0 HH TYR A 17 2.040 11.144 -2.186 1.00 0.00 H new ATOM 261 N VAL A 18 0.954 3.930 0.892 1.00 0.00 N ATOM 262 CA VAL A 18 1.773 3.543 2.065 1.00 0.00 C ATOM 263 C VAL A 18 2.889 4.558 2.269 1.00 0.00 C ATOM 264 O VAL A 18 3.866 4.597 1.544 1.00 0.00 O ATOM 265 CB VAL A 18 2.371 2.157 1.833 1.00 0.00 C ATOM 266 CG1 VAL A 18 1.250 1.117 1.802 1.00 0.00 C ATOM 267 CG2 VAL A 18 3.111 2.143 0.501 1.00 0.00 C ATOM 0 H VAL A 18 1.141 3.403 0.039 1.00 0.00 H new ATOM 0 HA VAL A 18 1.144 3.521 2.955 1.00 0.00 H new ATOM 0 HB VAL A 18 3.065 1.920 2.639 1.00 0.00 H new ATOM 0 HG11 VAL A 18 1.676 0.128 1.636 1.00 0.00 H new ATOM 0 HG12 VAL A 18 0.717 1.128 2.753 1.00 0.00 H new ATOM 0 HG13 VAL A 18 0.557 1.353 0.995 1.00 0.00 H new ATOM 0 HG21 VAL A 18 3.539 1.155 0.333 1.00 0.00 H new ATOM 0 HG22 VAL A 18 2.415 2.379 -0.304 1.00 0.00 H new ATOM 0 HG23 VAL A 18 3.909 2.885 0.520 1.00 0.00 H new ATOM 277 N THR A 19 2.743 5.387 3.260 1.00 0.00 N ATOM 278 CA THR A 19 3.786 6.408 3.540 1.00 0.00 C ATOM 279 C THR A 19 4.381 6.134 4.922 1.00 0.00 C ATOM 280 O THR A 19 3.663 6.033 5.896 1.00 0.00 O ATOM 281 CB THR A 19 3.154 7.803 3.518 1.00 0.00 C ATOM 282 OG1 THR A 19 2.231 7.918 4.591 1.00 0.00 O ATOM 283 CG2 THR A 19 2.424 8.015 2.190 1.00 0.00 C ATOM 0 H THR A 19 1.942 5.402 3.892 1.00 0.00 H new ATOM 0 HA THR A 19 4.569 6.360 2.783 1.00 0.00 H new ATOM 0 HB THR A 19 3.934 8.557 3.625 1.00 0.00 H new ATOM 0 HG1 THR A 19 2.538 7.374 5.346 1.00 0.00 H new ATOM 0 HG21 THR A 19 1.975 9.008 2.176 1.00 0.00 H new ATOM 0 HG22 THR A 19 3.133 7.926 1.367 1.00 0.00 H new ATOM 0 HG23 THR A 19 1.643 7.262 2.080 1.00 0.00 H new ATOM 291 N ASN A 20 5.683 6.007 5.010 1.00 0.00 N ATOM 292 CA ASN A 20 6.338 5.737 6.327 1.00 0.00 C ATOM 293 C ASN A 20 7.724 5.129 6.098 1.00 0.00 C ATOM 294 O ASN A 20 8.733 5.715 6.438 1.00 0.00 O ATOM 295 CB ASN A 20 5.493 4.755 7.149 1.00 0.00 C ATOM 296 CG ASN A 20 6.304 4.263 8.348 1.00 0.00 C ATOM 297 OD1 ASN A 20 7.122 3.374 8.221 1.00 0.00 O ATOM 298 ND2 ASN A 20 6.111 4.811 9.518 1.00 0.00 N ATOM 0 H ASN A 20 6.324 6.079 4.220 1.00 0.00 H new ATOM 0 HA ASN A 20 6.429 6.678 6.870 1.00 0.00 H new ATOM 0 HB2 ASN A 20 4.579 5.242 7.490 1.00 0.00 H new ATOM 0 HB3 ASN A 20 5.192 3.911 6.529 1.00 0.00 H new ATOM 0 HD21 ASN A 20 6.647 4.492 10.325 1.00 0.00 H new ATOM 0 HD22 ASN A 20 5.424 5.557 9.624 1.00 0.00 H new ATOM 305 N LEU A 21 7.777 3.951 5.538 1.00 0.00 N ATOM 306 CA LEU A 21 9.095 3.288 5.297 1.00 0.00 C ATOM 307 C LEU A 21 10.133 4.315 4.824 1.00 0.00 C ATOM 308 O LEU A 21 9.783 5.387 4.371 1.00 0.00 O ATOM 309 CB LEU A 21 8.961 2.168 4.245 1.00 0.00 C ATOM 310 CG LEU A 21 8.104 2.600 3.040 1.00 0.00 C ATOM 311 CD1 LEU A 21 6.626 2.335 3.330 1.00 0.00 C ATOM 312 CD2 LEU A 21 8.306 4.087 2.728 1.00 0.00 C ATOM 0 H LEU A 21 6.963 3.416 5.235 1.00 0.00 H new ATOM 0 HA LEU A 21 9.427 2.849 6.238 1.00 0.00 H new ATOM 0 HB2 LEU A 21 9.953 1.878 3.898 1.00 0.00 H new ATOM 0 HB3 LEU A 21 8.515 1.288 4.709 1.00 0.00 H new ATOM 0 HG LEU A 21 8.418 2.018 2.174 1.00 0.00 H new ATOM 0 HD11 LEU A 21 6.026 2.643 2.474 1.00 0.00 H new ATOM 0 HD12 LEU A 21 6.476 1.271 3.514 1.00 0.00 H new ATOM 0 HD13 LEU A 21 6.320 2.902 4.209 1.00 0.00 H new ATOM 0 HD21 LEU A 21 7.690 4.366 1.873 1.00 0.00 H new ATOM 0 HD22 LEU A 21 8.017 4.683 3.594 1.00 0.00 H new ATOM 0 HD23 LEU A 21 9.355 4.271 2.495 1.00 0.00 H new ATOM 324 N PRO A 22 11.384 3.945 4.942 1.00 0.00 N ATOM 325 CA PRO A 22 12.451 4.872 4.498 1.00 0.00 C ATOM 326 C PRO A 22 13.257 4.241 3.358 1.00 0.00 C ATOM 327 O PRO A 22 14.471 4.199 3.388 1.00 0.00 O ATOM 328 CB PRO A 22 13.329 5.072 5.732 1.00 0.00 C ATOM 329 CG PRO A 22 13.088 3.850 6.635 1.00 0.00 C ATOM 330 CD PRO A 22 11.741 3.248 6.205 1.00 0.00 C ATOM 0 HA PRO A 22 12.055 5.815 4.120 1.00 0.00 H new ATOM 0 HB2 PRO A 22 14.380 5.148 5.453 1.00 0.00 H new ATOM 0 HB3 PRO A 22 13.068 5.995 6.249 1.00 0.00 H new ATOM 0 HG2 PRO A 22 13.891 3.122 6.524 1.00 0.00 H new ATOM 0 HG3 PRO A 22 13.065 4.142 7.685 1.00 0.00 H new ATOM 0 HD2 PRO A 22 11.823 2.172 6.051 1.00 0.00 H new ATOM 0 HD3 PRO A 22 10.979 3.404 6.969 1.00 0.00 H new ATOM 338 N ARG A 23 12.583 3.756 2.355 1.00 0.00 N ATOM 339 CA ARG A 23 13.292 3.128 1.202 1.00 0.00 C ATOM 340 C ARG A 23 14.288 2.081 1.710 1.00 0.00 C ATOM 341 O ARG A 23 15.231 1.731 1.029 1.00 0.00 O ATOM 342 CB ARG A 23 14.044 4.201 0.412 1.00 0.00 C ATOM 343 CG ARG A 23 13.642 4.121 -1.063 1.00 0.00 C ATOM 344 CD ARG A 23 14.896 4.172 -1.938 1.00 0.00 C ATOM 345 NE ARG A 23 14.514 4.551 -3.327 1.00 0.00 N ATOM 346 CZ ARG A 23 14.665 3.697 -4.300 1.00 0.00 C ATOM 347 NH1 ARG A 23 15.856 3.265 -4.609 1.00 0.00 N ATOM 348 NH2 ARG A 23 13.624 3.274 -4.965 1.00 0.00 N ATOM 0 H ARG A 23 11.566 3.767 2.282 1.00 0.00 H new ATOM 0 HA ARG A 23 12.559 2.646 0.555 1.00 0.00 H new ATOM 0 HB2 ARG A 23 13.814 5.189 0.810 1.00 0.00 H new ATOM 0 HB3 ARG A 23 15.120 4.058 0.516 1.00 0.00 H new ATOM 0 HG2 ARG A 23 13.092 3.199 -1.251 1.00 0.00 H new ATOM 0 HG3 ARG A 23 12.976 4.947 -1.315 1.00 0.00 H new ATOM 0 HD2 ARG A 23 15.606 4.894 -1.534 1.00 0.00 H new ATOM 0 HD3 ARG A 23 15.393 3.202 -1.937 1.00 0.00 H new ATOM 0 HE ARG A 23 14.134 5.479 -3.517 1.00 0.00 H new ATOM 0 HH11 ARG A 23 16.669 3.595 -4.089 1.00 0.00 H new ATOM 0 HH12 ARG A 23 15.974 2.597 -5.370 1.00 0.00 H new ATOM 0 HH21 ARG A 23 12.692 3.612 -4.723 1.00 0.00 H new ATOM 0 HH22 ARG A 23 13.742 2.606 -5.726 1.00 0.00 H new ATOM 362 N THR A 24 14.091 1.578 2.896 1.00 0.00 N ATOM 363 CA THR A 24 15.033 0.555 3.432 1.00 0.00 C ATOM 364 C THR A 24 14.578 -0.836 2.983 1.00 0.00 C ATOM 365 O THR A 24 15.364 -1.758 2.892 1.00 0.00 O ATOM 366 CB THR A 24 15.050 0.628 4.961 1.00 0.00 C ATOM 367 OG1 THR A 24 16.126 -0.157 5.459 1.00 0.00 O ATOM 368 CG2 THR A 24 13.728 0.096 5.518 1.00 0.00 C ATOM 0 H THR A 24 13.321 1.829 3.516 1.00 0.00 H new ATOM 0 HA THR A 24 16.037 0.746 3.054 1.00 0.00 H new ATOM 0 HB THR A 24 15.180 1.665 5.272 1.00 0.00 H new ATOM 0 HG1 THR A 24 16.139 -0.110 6.438 1.00 0.00 H new ATOM 0 HG21 THR A 24 13.744 0.150 6.607 1.00 0.00 H new ATOM 0 HG22 THR A 24 12.904 0.699 5.137 1.00 0.00 H new ATOM 0 HG23 THR A 24 13.593 -0.940 5.208 1.00 0.00 H new ATOM 376 N ILE A 25 13.316 -0.990 2.690 1.00 0.00 N ATOM 377 CA ILE A 25 12.811 -2.318 2.235 1.00 0.00 C ATOM 378 C ILE A 25 12.502 -2.246 0.738 1.00 0.00 C ATOM 379 O ILE A 25 12.930 -1.339 0.053 1.00 0.00 O ATOM 380 CB ILE A 25 11.537 -2.672 3.006 1.00 0.00 C ATOM 381 CG1 ILE A 25 10.562 -1.495 2.944 1.00 0.00 C ATOM 382 CG2 ILE A 25 11.889 -2.968 4.464 1.00 0.00 C ATOM 383 CD1 ILE A 25 9.206 -1.980 2.430 1.00 0.00 C ATOM 0 H ILE A 25 12.612 -0.254 2.746 1.00 0.00 H new ATOM 0 HA ILE A 25 13.565 -3.083 2.419 1.00 0.00 H new ATOM 0 HB ILE A 25 11.074 -3.552 2.560 1.00 0.00 H new ATOM 0 HG12 ILE A 25 10.450 -1.050 3.933 1.00 0.00 H new ATOM 0 HG13 ILE A 25 10.955 -0.718 2.288 1.00 0.00 H new ATOM 0 HG21 ILE A 25 10.982 -3.220 5.013 1.00 0.00 H new ATOM 0 HG22 ILE A 25 12.584 -3.806 4.507 1.00 0.00 H new ATOM 0 HG23 ILE A 25 12.352 -2.089 4.912 1.00 0.00 H new ATOM 0 HD11 ILE A 25 8.512 -1.141 2.386 1.00 0.00 H new ATOM 0 HD12 ILE A 25 9.325 -2.404 1.433 1.00 0.00 H new ATOM 0 HD13 ILE A 25 8.813 -2.741 3.104 1.00 0.00 H new ATOM 395 N THR A 26 11.766 -3.192 0.219 1.00 0.00 N ATOM 396 CA THR A 26 11.446 -3.157 -1.238 1.00 0.00 C ATOM 397 C THR A 26 9.950 -3.399 -1.451 1.00 0.00 C ATOM 398 O THR A 26 9.378 -4.339 -0.931 1.00 0.00 O ATOM 399 CB THR A 26 12.247 -4.238 -1.979 1.00 0.00 C ATOM 400 OG1 THR A 26 11.444 -4.793 -3.012 1.00 0.00 O ATOM 401 CG2 THR A 26 12.663 -5.345 -1.006 1.00 0.00 C ATOM 0 H THR A 26 11.376 -3.981 0.735 1.00 0.00 H new ATOM 0 HA THR A 26 11.714 -2.176 -1.631 1.00 0.00 H new ATOM 0 HB THR A 26 13.142 -3.788 -2.408 1.00 0.00 H new ATOM 0 HG1 THR A 26 11.953 -5.482 -3.488 1.00 0.00 H new ATOM 0 HG21 THR A 26 13.230 -6.106 -1.542 1.00 0.00 H new ATOM 0 HG22 THR A 26 13.282 -4.921 -0.215 1.00 0.00 H new ATOM 0 HG23 THR A 26 11.773 -5.797 -0.567 1.00 0.00 H new ATOM 409 N ASP A 27 9.307 -2.565 -2.221 1.00 0.00 N ATOM 410 CA ASP A 27 7.854 -2.768 -2.469 1.00 0.00 C ATOM 411 C ASP A 27 7.656 -4.138 -3.114 1.00 0.00 C ATOM 412 O ASP A 27 6.841 -4.928 -2.681 1.00 0.00 O ATOM 413 CB ASP A 27 7.332 -1.678 -3.407 1.00 0.00 C ATOM 414 CG ASP A 27 6.352 -0.780 -2.649 1.00 0.00 C ATOM 415 OD1 ASP A 27 6.795 -0.066 -1.764 1.00 0.00 O ATOM 416 OD2 ASP A 27 5.174 -0.823 -2.965 1.00 0.00 O ATOM 0 H ASP A 27 9.722 -1.758 -2.686 1.00 0.00 H new ATOM 0 HA ASP A 27 7.306 -2.716 -1.528 1.00 0.00 H new ATOM 0 HB2 ASP A 27 8.162 -1.086 -3.791 1.00 0.00 H new ATOM 0 HB3 ASP A 27 6.838 -2.129 -4.267 1.00 0.00 H new ATOM 421 N ASP A 28 8.401 -4.426 -4.147 1.00 0.00 N ATOM 422 CA ASP A 28 8.266 -5.748 -4.821 1.00 0.00 C ATOM 423 C ASP A 28 8.311 -6.858 -3.771 1.00 0.00 C ATOM 424 O ASP A 28 7.770 -7.930 -3.960 1.00 0.00 O ATOM 425 CB ASP A 28 9.423 -5.935 -5.805 1.00 0.00 C ATOM 426 CG ASP A 28 8.891 -6.523 -7.112 1.00 0.00 C ATOM 427 OD1 ASP A 28 8.036 -5.898 -7.717 1.00 0.00 O ATOM 428 OD2 ASP A 28 9.350 -7.590 -7.488 1.00 0.00 O ATOM 0 H ASP A 28 9.098 -3.802 -4.553 1.00 0.00 H new ATOM 0 HA ASP A 28 7.318 -5.790 -5.358 1.00 0.00 H new ATOM 0 HB2 ASP A 28 9.910 -4.979 -5.996 1.00 0.00 H new ATOM 0 HB3 ASP A 28 10.176 -6.596 -5.376 1.00 0.00 H new ATOM 433 N GLN A 29 8.955 -6.608 -2.665 1.00 0.00 N ATOM 434 CA GLN A 29 9.040 -7.645 -1.600 1.00 0.00 C ATOM 435 C GLN A 29 7.695 -7.745 -0.878 1.00 0.00 C ATOM 436 O GLN A 29 7.222 -8.824 -0.578 1.00 0.00 O ATOM 437 CB GLN A 29 10.150 -7.253 -0.612 1.00 0.00 C ATOM 438 CG GLN A 29 10.021 -8.037 0.701 1.00 0.00 C ATOM 439 CD GLN A 29 10.606 -7.200 1.840 1.00 0.00 C ATOM 440 OE1 GLN A 29 10.953 -6.049 1.648 1.00 0.00 O ATOM 441 NE2 GLN A 29 10.731 -7.730 3.027 1.00 0.00 N ATOM 0 H GLN A 29 9.427 -5.729 -2.453 1.00 0.00 H new ATOM 0 HA GLN A 29 9.274 -8.615 -2.038 1.00 0.00 H new ATOM 0 HB2 GLN A 29 11.125 -7.445 -1.060 1.00 0.00 H new ATOM 0 HB3 GLN A 29 10.099 -6.184 -0.408 1.00 0.00 H new ATOM 0 HG2 GLN A 29 8.974 -8.266 0.901 1.00 0.00 H new ATOM 0 HG3 GLN A 29 10.547 -8.989 0.625 1.00 0.00 H new ATOM 0 HE21 GLN A 29 10.440 -8.694 3.188 1.00 0.00 H new ATOM 0 HE22 GLN A 29 11.119 -7.180 3.793 1.00 0.00 H new ATOM 450 N LEU A 30 7.077 -6.635 -0.587 1.00 0.00 N ATOM 451 CA LEU A 30 5.766 -6.686 0.125 1.00 0.00 C ATOM 452 C LEU A 30 4.853 -7.730 -0.535 1.00 0.00 C ATOM 453 O LEU A 30 4.059 -8.369 0.122 1.00 0.00 O ATOM 454 CB LEU A 30 5.095 -5.312 0.073 1.00 0.00 C ATOM 455 CG LEU A 30 5.319 -4.584 1.401 1.00 0.00 C ATOM 456 CD1 LEU A 30 6.817 -4.362 1.613 1.00 0.00 C ATOM 457 CD2 LEU A 30 4.610 -3.229 1.364 1.00 0.00 C ATOM 0 H LEU A 30 7.418 -5.700 -0.809 1.00 0.00 H new ATOM 0 HA LEU A 30 5.937 -6.965 1.165 1.00 0.00 H new ATOM 0 HB2 LEU A 30 5.506 -4.726 -0.749 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.028 -5.424 -0.117 1.00 0.00 H new ATOM 0 HG LEU A 30 4.918 -5.186 2.217 1.00 0.00 H new ATOM 0 HD11 LEU A 30 6.978 -3.844 2.558 1.00 0.00 H new ATOM 0 HD12 LEU A 30 7.328 -5.325 1.635 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.215 -3.759 0.797 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.769 -2.709 2.309 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.013 -2.629 0.548 1.00 0.00 H new ATOM 0 HD23 LEU A 30 3.542 -3.381 1.209 1.00 0.00 H new ATOM 469 N ASP A 31 4.955 -7.911 -1.825 1.00 0.00 N ATOM 470 CA ASP A 31 4.082 -8.917 -2.503 1.00 0.00 C ATOM 471 C ASP A 31 4.350 -10.306 -1.915 1.00 0.00 C ATOM 472 O ASP A 31 3.476 -10.931 -1.347 1.00 0.00 O ATOM 473 CB ASP A 31 4.379 -8.922 -4.014 1.00 0.00 C ATOM 474 CG ASP A 31 4.036 -10.284 -4.632 1.00 0.00 C ATOM 475 OD1 ASP A 31 4.846 -11.189 -4.507 1.00 0.00 O ATOM 476 OD2 ASP A 31 2.973 -10.396 -5.220 1.00 0.00 O ATOM 0 H ASP A 31 5.600 -7.410 -2.436 1.00 0.00 H new ATOM 0 HA ASP A 31 3.035 -8.657 -2.345 1.00 0.00 H new ATOM 0 HB2 ASP A 31 3.802 -8.139 -4.505 1.00 0.00 H new ATOM 0 HB3 ASP A 31 5.432 -8.696 -4.183 1.00 0.00 H new ATOM 481 N THR A 32 5.549 -10.794 -2.064 1.00 0.00 N ATOM 482 CA THR A 32 5.881 -12.145 -1.533 1.00 0.00 C ATOM 483 C THR A 32 5.726 -12.165 -0.010 1.00 0.00 C ATOM 484 O THR A 32 5.787 -13.209 0.610 1.00 0.00 O ATOM 485 CB THR A 32 7.325 -12.490 -1.909 1.00 0.00 C ATOM 486 OG1 THR A 32 7.392 -12.781 -3.298 1.00 0.00 O ATOM 487 CG2 THR A 32 7.792 -13.708 -1.110 1.00 0.00 C ATOM 0 H THR A 32 6.317 -10.313 -2.533 1.00 0.00 H new ATOM 0 HA THR A 32 5.201 -12.880 -1.964 1.00 0.00 H new ATOM 0 HB THR A 32 7.970 -11.642 -1.680 1.00 0.00 H new ATOM 0 HG1 THR A 32 6.659 -12.326 -3.763 1.00 0.00 H new ATOM 0 HG21 THR A 32 8.820 -13.949 -1.381 1.00 0.00 H new ATOM 0 HG22 THR A 32 7.741 -13.485 -0.044 1.00 0.00 H new ATOM 0 HG23 THR A 32 7.149 -14.559 -1.334 1.00 0.00 H new ATOM 495 N ILE A 33 5.536 -11.029 0.605 1.00 0.00 N ATOM 496 CA ILE A 33 5.393 -11.012 2.086 1.00 0.00 C ATOM 497 C ILE A 33 3.936 -11.322 2.479 1.00 0.00 C ATOM 498 O ILE A 33 3.692 -12.045 3.424 1.00 0.00 O ATOM 499 CB ILE A 33 5.849 -9.644 2.630 1.00 0.00 C ATOM 500 CG1 ILE A 33 6.611 -9.850 3.940 1.00 0.00 C ATOM 501 CG2 ILE A 33 4.653 -8.725 2.883 1.00 0.00 C ATOM 502 CD1 ILE A 33 7.119 -8.500 4.448 1.00 0.00 C ATOM 0 H ILE A 33 5.474 -10.119 0.149 1.00 0.00 H new ATOM 0 HA ILE A 33 6.025 -11.782 2.528 1.00 0.00 H new ATOM 0 HB ILE A 33 6.493 -9.175 1.886 1.00 0.00 H new ATOM 0 HG12 ILE A 33 5.960 -10.310 4.684 1.00 0.00 H new ATOM 0 HG13 ILE A 33 7.448 -10.531 3.784 1.00 0.00 H new ATOM 0 HG21 ILE A 33 5.005 -7.767 3.266 1.00 0.00 H new ATOM 0 HG22 ILE A 33 4.113 -8.566 1.950 1.00 0.00 H new ATOM 0 HG23 ILE A 33 3.988 -9.186 3.613 1.00 0.00 H new ATOM 0 HD11 ILE A 33 7.663 -8.644 5.382 1.00 0.00 H new ATOM 0 HD12 ILE A 33 7.784 -8.059 3.705 1.00 0.00 H new ATOM 0 HD13 ILE A 33 6.273 -7.834 4.619 1.00 0.00 H new ATOM 514 N PHE A 34 2.961 -10.800 1.769 1.00 0.00 N ATOM 515 CA PHE A 34 1.549 -11.113 2.147 1.00 0.00 C ATOM 516 C PHE A 34 0.913 -12.054 1.114 1.00 0.00 C ATOM 517 O PHE A 34 0.410 -13.099 1.472 1.00 0.00 O ATOM 518 CB PHE A 34 0.695 -9.836 2.287 1.00 0.00 C ATOM 519 CG PHE A 34 1.167 -8.722 1.376 1.00 0.00 C ATOM 520 CD1 PHE A 34 0.768 -8.689 0.034 1.00 0.00 C ATOM 521 CD2 PHE A 34 1.977 -7.702 1.888 1.00 0.00 C ATOM 522 CE1 PHE A 34 1.189 -7.642 -0.796 1.00 0.00 C ATOM 523 CE2 PHE A 34 2.393 -6.654 1.059 1.00 0.00 C ATOM 524 CZ PHE A 34 2.002 -6.625 -0.283 1.00 0.00 C ATOM 0 H PHE A 34 3.079 -10.186 0.963 1.00 0.00 H new ATOM 0 HA PHE A 34 1.576 -11.607 3.118 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -0.345 -10.071 2.060 1.00 0.00 H new ATOM 0 HB3 PHE A 34 0.726 -9.493 3.321 1.00 0.00 H new ATOM 0 HD1 PHE A 34 0.136 -9.471 -0.361 1.00 0.00 H new ATOM 0 HD2 PHE A 34 2.281 -7.724 2.924 1.00 0.00 H new ATOM 0 HE1 PHE A 34 0.886 -7.620 -1.832 1.00 0.00 H new ATOM 0 HE2 PHE A 34 3.017 -5.867 1.456 1.00 0.00 H new ATOM 0 HZ PHE A 34 2.327 -5.818 -0.923 1.00 0.00 H new ATOM 534 N GLY A 35 0.941 -11.687 -0.152 1.00 0.00 N ATOM 535 CA GLY A 35 0.346 -12.536 -1.246 1.00 0.00 C ATOM 536 C GLY A 35 -0.601 -13.590 -0.672 1.00 0.00 C ATOM 537 O GLY A 35 -0.321 -14.771 -0.711 1.00 0.00 O ATOM 0 H GLY A 35 1.360 -10.817 -0.480 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -0.194 -11.902 -1.949 1.00 0.00 H new ATOM 0 HA3 GLY A 35 1.144 -13.025 -1.805 1.00 0.00 H new ATOM 541 N LYS A 36 -1.711 -13.179 -0.119 1.00 0.00 N ATOM 542 CA LYS A 36 -2.645 -14.182 0.472 1.00 0.00 C ATOM 543 C LYS A 36 -4.114 -13.812 0.208 1.00 0.00 C ATOM 544 O LYS A 36 -4.972 -14.672 0.187 1.00 0.00 O ATOM 545 CB LYS A 36 -2.405 -14.254 1.981 1.00 0.00 C ATOM 546 CG LYS A 36 -2.945 -15.578 2.521 1.00 0.00 C ATOM 547 CD LYS A 36 -1.983 -16.707 2.147 1.00 0.00 C ATOM 548 CE LYS A 36 -2.774 -17.994 1.912 1.00 0.00 C ATOM 549 NZ LYS A 36 -1.846 -19.079 1.488 1.00 0.00 N ATOM 0 H LYS A 36 -2.009 -12.206 -0.051 1.00 0.00 H new ATOM 0 HA LYS A 36 -2.452 -15.148 0.005 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -1.340 -14.169 2.195 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -2.897 -13.418 2.478 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -3.057 -15.524 3.604 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -3.934 -15.776 2.108 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -1.425 -16.441 1.249 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -1.253 -16.856 2.943 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -3.296 -18.284 2.824 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -3.534 -17.832 1.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -2.385 -19.954 1.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -1.367 -18.802 0.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -1.137 -19.240 2.232 1.00 0.00 H new ATOM 563 N TYR A 37 -4.425 -12.556 0.015 1.00 0.00 N ATOM 564 CA TYR A 37 -5.854 -12.184 -0.233 1.00 0.00 C ATOM 565 C TYR A 37 -6.092 -12.076 -1.737 1.00 0.00 C ATOM 566 O TYR A 37 -7.133 -12.452 -2.241 1.00 0.00 O ATOM 567 CB TYR A 37 -6.208 -10.838 0.433 1.00 0.00 C ATOM 568 CG TYR A 37 -5.014 -10.252 1.150 1.00 0.00 C ATOM 569 CD1 TYR A 37 -4.323 -11.003 2.109 1.00 0.00 C ATOM 570 CD2 TYR A 37 -4.602 -8.952 0.848 1.00 0.00 C ATOM 571 CE1 TYR A 37 -3.217 -10.451 2.763 1.00 0.00 C ATOM 572 CE2 TYR A 37 -3.497 -8.401 1.501 1.00 0.00 C ATOM 573 CZ TYR A 37 -2.803 -9.150 2.456 1.00 0.00 C ATOM 574 OH TYR A 37 -1.707 -8.610 3.084 1.00 0.00 O ATOM 0 H TYR A 37 -3.763 -11.780 0.018 1.00 0.00 H new ATOM 0 HA TYR A 37 -6.488 -12.958 0.199 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -6.561 -10.137 -0.323 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -7.025 -10.983 1.140 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -4.644 -12.007 2.343 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -5.138 -8.373 0.110 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -2.683 -11.028 3.504 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -3.178 -7.396 1.268 1.00 0.00 H new ATOM 0 HH TYR A 37 -1.481 -9.151 3.869 1.00 0.00 H new ATOM 584 N GLY A 38 -5.136 -11.570 -2.457 1.00 0.00 N ATOM 585 CA GLY A 38 -5.300 -11.439 -3.929 1.00 0.00 C ATOM 586 C GLY A 38 -3.943 -11.619 -4.603 1.00 0.00 C ATOM 587 O GLY A 38 -3.003 -12.106 -4.007 1.00 0.00 O ATOM 0 H GLY A 38 -4.244 -11.240 -2.089 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -6.004 -12.186 -4.296 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -5.715 -10.462 -4.175 1.00 0.00 H new ATOM 591 N SER A 39 -3.828 -11.227 -5.840 1.00 0.00 N ATOM 592 CA SER A 39 -2.526 -11.378 -6.544 1.00 0.00 C ATOM 593 C SER A 39 -1.910 -9.999 -6.762 1.00 0.00 C ATOM 594 O SER A 39 -1.268 -9.750 -7.758 1.00 0.00 O ATOM 595 CB SER A 39 -2.750 -12.068 -7.889 1.00 0.00 C ATOM 596 OG SER A 39 -4.146 -12.242 -8.100 1.00 0.00 O ATOM 0 H SER A 39 -4.577 -10.810 -6.393 1.00 0.00 H new ATOM 0 HA SER A 39 -1.849 -11.984 -5.942 1.00 0.00 H new ATOM 0 HB2 SER A 39 -2.320 -11.471 -8.693 1.00 0.00 H new ATOM 0 HB3 SER A 39 -2.245 -13.034 -7.904 1.00 0.00 H new ATOM 0 HG SER A 39 -4.294 -12.683 -8.963 1.00 0.00 H new ATOM 602 N ILE A 40 -2.102 -9.123 -5.807 1.00 0.00 N ATOM 603 CA ILE A 40 -1.565 -7.714 -5.865 1.00 0.00 C ATOM 604 C ILE A 40 -1.771 -7.085 -7.273 1.00 0.00 C ATOM 605 O ILE A 40 -1.812 -7.757 -8.278 1.00 0.00 O ATOM 606 CB ILE A 40 -0.084 -7.636 -5.410 1.00 0.00 C ATOM 607 CG1 ILE A 40 0.650 -9.000 -5.491 1.00 0.00 C ATOM 608 CG2 ILE A 40 -0.043 -7.122 -3.963 1.00 0.00 C ATOM 609 CD1 ILE A 40 0.773 -9.639 -4.095 1.00 0.00 C ATOM 0 H ILE A 40 -2.627 -9.328 -4.957 1.00 0.00 H new ATOM 0 HA ILE A 40 -2.142 -7.121 -5.156 1.00 0.00 H new ATOM 0 HB ILE A 40 0.434 -6.959 -6.089 1.00 0.00 H new ATOM 0 HG12 ILE A 40 0.107 -9.671 -6.156 1.00 0.00 H new ATOM 0 HG13 ILE A 40 1.642 -8.859 -5.920 1.00 0.00 H new ATOM 0 HG21 ILE A 40 0.992 -7.061 -3.628 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -0.498 -6.133 -3.915 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -0.594 -7.807 -3.318 1.00 0.00 H new ATOM 0 HD11 ILE A 40 1.291 -10.595 -4.177 1.00 0.00 H new ATOM 0 HD12 ILE A 40 1.337 -8.975 -3.439 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -0.222 -9.800 -3.680 1.00 0.00 H new ATOM 621 N VAL A 41 -1.979 -5.785 -7.341 1.00 0.00 N ATOM 622 CA VAL A 41 -2.264 -5.129 -8.662 1.00 0.00 C ATOM 623 C VAL A 41 -1.109 -4.237 -9.182 1.00 0.00 C ATOM 624 O VAL A 41 -0.850 -4.200 -10.368 1.00 0.00 O ATOM 625 CB VAL A 41 -3.507 -4.269 -8.465 1.00 0.00 C ATOM 626 CG1 VAL A 41 -3.854 -3.525 -9.748 1.00 0.00 C ATOM 627 CG2 VAL A 41 -4.669 -5.168 -8.062 1.00 0.00 C ATOM 0 H VAL A 41 -1.963 -5.153 -6.540 1.00 0.00 H new ATOM 0 HA VAL A 41 -2.397 -5.911 -9.410 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.314 -3.534 -7.684 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -4.744 -2.917 -9.587 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -3.021 -2.881 -10.032 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -4.045 -4.244 -10.545 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -5.564 -4.563 -7.918 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -4.850 -5.903 -8.847 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -4.426 -5.682 -7.132 1.00 0.00 H new ATOM 637 N GLN A 42 -0.428 -3.514 -8.332 1.00 0.00 N ATOM 638 CA GLN A 42 0.696 -2.620 -8.836 1.00 0.00 C ATOM 639 C GLN A 42 1.328 -1.823 -7.678 1.00 0.00 C ATOM 640 O GLN A 42 0.752 -0.882 -7.169 1.00 0.00 O ATOM 641 CB GLN A 42 0.145 -1.634 -9.868 1.00 0.00 C ATOM 642 CG GLN A 42 1.298 -1.077 -10.705 1.00 0.00 C ATOM 643 CD GLN A 42 1.516 0.397 -10.358 1.00 0.00 C ATOM 644 OE1 GLN A 42 0.655 1.222 -10.592 1.00 0.00 O ATOM 645 NE2 GLN A 42 2.640 0.769 -9.807 1.00 0.00 N ATOM 0 H GLN A 42 -0.586 -3.492 -7.324 1.00 0.00 H new ATOM 0 HA GLN A 42 1.458 -3.255 -9.287 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -0.579 -2.132 -10.513 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -0.380 -0.821 -9.366 1.00 0.00 H new ATOM 0 HG2 GLN A 42 2.208 -1.645 -10.513 1.00 0.00 H new ATOM 0 HG3 GLN A 42 1.075 -1.182 -11.767 1.00 0.00 H new ATOM 0 HE21 GLN A 42 3.364 0.078 -9.610 1.00 0.00 H new ATOM 0 HE22 GLN A 42 2.794 1.750 -9.574 1.00 0.00 H new ATOM 654 N LYS A 43 2.497 -2.234 -7.233 1.00 0.00 N ATOM 655 CA LYS A 43 3.153 -1.548 -6.081 1.00 0.00 C ATOM 656 C LYS A 43 4.420 -0.830 -6.554 1.00 0.00 C ATOM 657 O LYS A 43 5.065 -1.246 -7.495 1.00 0.00 O ATOM 658 CB LYS A 43 3.522 -2.586 -5.013 1.00 0.00 C ATOM 659 CG LYS A 43 4.408 -3.679 -5.620 1.00 0.00 C ATOM 660 CD LYS A 43 4.966 -4.565 -4.505 1.00 0.00 C ATOM 661 CE LYS A 43 4.299 -5.936 -4.561 1.00 0.00 C ATOM 662 NZ LYS A 43 2.929 -5.853 -3.984 1.00 0.00 N ATOM 0 H LYS A 43 3.021 -3.017 -7.623 1.00 0.00 H new ATOM 0 HA LYS A 43 2.464 -0.816 -5.659 1.00 0.00 H new ATOM 0 HB2 LYS A 43 4.045 -2.100 -4.189 1.00 0.00 H new ATOM 0 HB3 LYS A 43 2.617 -3.030 -4.599 1.00 0.00 H new ATOM 0 HG2 LYS A 43 3.831 -4.281 -6.322 1.00 0.00 H new ATOM 0 HG3 LYS A 43 5.225 -3.228 -6.183 1.00 0.00 H new ATOM 0 HD2 LYS A 43 6.045 -4.669 -4.615 1.00 0.00 H new ATOM 0 HD3 LYS A 43 4.788 -4.102 -3.535 1.00 0.00 H new ATOM 0 HE2 LYS A 43 4.249 -6.285 -5.593 1.00 0.00 H new ATOM 0 HE3 LYS A 43 4.893 -6.663 -4.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 2.881 -6.429 -3.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 2.709 -4.863 -3.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 2.239 -6.209 -4.676 1.00 0.00 H new ATOM 676 N ASN A 44 4.783 0.242 -5.903 1.00 0.00 N ATOM 677 CA ASN A 44 6.009 0.985 -6.306 1.00 0.00 C ATOM 678 C ASN A 44 6.485 1.844 -5.131 1.00 0.00 C ATOM 679 O ASN A 44 5.822 1.944 -4.118 1.00 0.00 O ATOM 680 CB ASN A 44 5.694 1.884 -7.503 1.00 0.00 C ATOM 681 CG ASN A 44 6.990 2.218 -8.244 1.00 0.00 C ATOM 682 OD1 ASN A 44 7.592 1.357 -8.855 1.00 0.00 O ATOM 683 ND2 ASN A 44 7.447 3.438 -8.214 1.00 0.00 N ATOM 0 H ASN A 44 4.281 0.636 -5.107 1.00 0.00 H new ATOM 0 HA ASN A 44 6.791 0.278 -6.584 1.00 0.00 H new ATOM 0 HB2 ASN A 44 4.997 1.383 -8.175 1.00 0.00 H new ATOM 0 HB3 ASN A 44 5.209 2.800 -7.166 1.00 0.00 H new ATOM 0 HD21 ASN A 44 8.311 3.671 -8.704 1.00 0.00 H new ATOM 0 HD22 ASN A 44 6.941 4.160 -7.701 1.00 0.00 H new ATOM 690 N ILE A 45 7.629 2.459 -5.253 1.00 0.00 N ATOM 691 CA ILE A 45 8.141 3.300 -4.136 1.00 0.00 C ATOM 692 C ILE A 45 9.099 4.359 -4.684 1.00 0.00 C ATOM 693 O ILE A 45 9.816 4.128 -5.638 1.00 0.00 O ATOM 694 CB ILE A 45 8.876 2.408 -3.133 1.00 0.00 C ATOM 695 CG1 ILE A 45 9.223 3.217 -1.882 1.00 0.00 C ATOM 696 CG2 ILE A 45 10.163 1.875 -3.767 1.00 0.00 C ATOM 697 CD1 ILE A 45 10.147 2.394 -0.982 1.00 0.00 C ATOM 0 H ILE A 45 8.230 2.415 -6.076 1.00 0.00 H new ATOM 0 HA ILE A 45 7.307 3.798 -3.641 1.00 0.00 H new ATOM 0 HB ILE A 45 8.233 1.572 -2.857 1.00 0.00 H new ATOM 0 HG12 ILE A 45 9.709 4.151 -2.163 1.00 0.00 H new ATOM 0 HG13 ILE A 45 8.313 3.481 -1.343 1.00 0.00 H new ATOM 0 HG21 ILE A 45 10.685 1.240 -3.051 1.00 0.00 H new ATOM 0 HG22 ILE A 45 9.917 1.294 -4.656 1.00 0.00 H new ATOM 0 HG23 ILE A 45 10.804 2.711 -4.046 1.00 0.00 H new ATOM 0 HD11 ILE A 45 10.394 2.970 -0.090 1.00 0.00 H new ATOM 0 HD12 ILE A 45 9.644 1.472 -0.690 1.00 0.00 H new ATOM 0 HD13 ILE A 45 11.062 2.153 -1.523 1.00 0.00 H new ATOM 709 N LEU A 46 9.118 5.523 -4.090 1.00 0.00 N ATOM 710 CA LEU A 46 10.031 6.594 -4.582 1.00 0.00 C ATOM 711 C LEU A 46 10.393 7.533 -3.429 1.00 0.00 C ATOM 712 O LEU A 46 9.587 7.807 -2.561 1.00 0.00 O ATOM 713 CB LEU A 46 9.335 7.390 -5.689 1.00 0.00 C ATOM 714 CG LEU A 46 8.057 8.024 -5.137 1.00 0.00 C ATOM 715 CD1 LEU A 46 7.846 9.391 -5.790 1.00 0.00 C ATOM 716 CD2 LEU A 46 6.865 7.118 -5.451 1.00 0.00 C ATOM 0 H LEU A 46 8.542 5.777 -3.287 1.00 0.00 H new ATOM 0 HA LEU A 46 10.940 6.140 -4.976 1.00 0.00 H new ATOM 0 HB2 LEU A 46 10.002 8.164 -6.069 1.00 0.00 H new ATOM 0 HB3 LEU A 46 9.096 6.735 -6.527 1.00 0.00 H new ATOM 0 HG LEU A 46 8.146 8.147 -4.058 1.00 0.00 H new ATOM 0 HD11 LEU A 46 6.936 9.845 -5.398 1.00 0.00 H new ATOM 0 HD12 LEU A 46 8.697 10.035 -5.569 1.00 0.00 H new ATOM 0 HD13 LEU A 46 7.755 9.268 -6.869 1.00 0.00 H new ATOM 0 HD21 LEU A 46 5.953 7.568 -5.059 1.00 0.00 H new ATOM 0 HD22 LEU A 46 6.774 6.997 -6.530 1.00 0.00 H new ATOM 0 HD23 LEU A 46 7.017 6.143 -4.988 1.00 0.00 H new ATOM 728 N ARG A 47 11.602 8.033 -3.415 1.00 0.00 N ATOM 729 CA ARG A 47 12.014 8.956 -2.321 1.00 0.00 C ATOM 730 C ARG A 47 12.889 10.078 -2.895 1.00 0.00 C ATOM 731 O ARG A 47 12.407 11.153 -3.189 1.00 0.00 O ATOM 732 CB ARG A 47 12.791 8.174 -1.254 1.00 0.00 C ATOM 733 CG ARG A 47 12.222 8.491 0.131 1.00 0.00 C ATOM 734 CD ARG A 47 13.218 8.041 1.201 1.00 0.00 C ATOM 735 NE ARG A 47 13.456 9.154 2.163 1.00 0.00 N ATOM 736 CZ ARG A 47 12.521 9.505 3.005 1.00 0.00 C ATOM 737 NH1 ARG A 47 11.386 8.859 3.032 1.00 0.00 N ATOM 738 NH2 ARG A 47 12.726 10.502 3.824 1.00 0.00 N ATOM 0 H ARG A 47 12.319 7.841 -4.114 1.00 0.00 H new ATOM 0 HA ARG A 47 11.128 9.397 -1.864 1.00 0.00 H new ATOM 0 HB2 ARG A 47 12.722 7.104 -1.450 1.00 0.00 H new ATOM 0 HB3 ARG A 47 13.848 8.438 -1.293 1.00 0.00 H new ATOM 0 HG2 ARG A 47 12.031 9.560 0.222 1.00 0.00 H new ATOM 0 HG3 ARG A 47 11.267 7.983 0.270 1.00 0.00 H new ATOM 0 HD2 ARG A 47 12.832 7.168 1.728 1.00 0.00 H new ATOM 0 HD3 ARG A 47 14.157 7.742 0.735 1.00 0.00 H new ATOM 0 HE ARG A 47 14.351 9.643 2.164 1.00 0.00 H new ATOM 0 HH11 ARG A 47 11.228 8.078 2.395 1.00 0.00 H new ATOM 0 HH12 ARG A 47 10.658 9.135 3.690 1.00 0.00 H new ATOM 0 HH21 ARG A 47 13.614 11.004 3.805 1.00 0.00 H new ATOM 0 HH22 ARG A 47 11.998 10.779 4.483 1.00 0.00 H new ATOM 888 N GLY A 56 9.227 10.531 1.009 1.00 0.00 N ATOM 889 CA GLY A 56 8.540 10.292 -0.267 1.00 0.00 C ATOM 890 C GLY A 56 7.240 9.570 0.022 1.00 0.00 C ATOM 891 O GLY A 56 6.478 9.954 0.885 1.00 0.00 O ATOM 0 HA2 GLY A 56 8.345 11.236 -0.776 1.00 0.00 H new ATOM 0 HA3 GLY A 56 9.167 9.695 -0.930 1.00 0.00 H new ATOM 895 N VAL A 57 6.988 8.531 -0.693 1.00 0.00 N ATOM 896 CA VAL A 57 5.730 7.770 -0.471 1.00 0.00 C ATOM 897 C VAL A 57 5.814 6.408 -1.157 1.00 0.00 C ATOM 898 O VAL A 57 6.770 6.103 -1.845 1.00 0.00 O ATOM 899 CB VAL A 57 4.565 8.567 -1.052 1.00 0.00 C ATOM 900 CG1 VAL A 57 4.115 9.620 -0.037 1.00 0.00 C ATOM 901 CG2 VAL A 57 5.022 9.267 -2.334 1.00 0.00 C ATOM 0 H VAL A 57 7.595 8.166 -1.427 1.00 0.00 H new ATOM 0 HA VAL A 57 5.580 7.615 0.597 1.00 0.00 H new ATOM 0 HB VAL A 57 3.737 7.894 -1.275 1.00 0.00 H new ATOM 0 HG11 VAL A 57 3.283 10.191 -0.449 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.797 9.127 0.882 1.00 0.00 H new ATOM 0 HG13 VAL A 57 4.944 10.293 0.181 1.00 0.00 H new ATOM 0 HG21 VAL A 57 4.193 9.838 -2.752 1.00 0.00 H new ATOM 0 HG22 VAL A 57 5.848 9.941 -2.106 1.00 0.00 H new ATOM 0 HG23 VAL A 57 5.351 8.522 -3.058 1.00 0.00 H new ATOM 911 N ALA A 58 4.807 5.599 -0.995 1.00 0.00 N ATOM 912 CA ALA A 58 4.802 4.267 -1.659 1.00 0.00 C ATOM 913 C ALA A 58 3.361 3.891 -1.999 1.00 0.00 C ATOM 914 O ALA A 58 2.421 4.405 -1.426 1.00 0.00 O ATOM 915 CB ALA A 58 5.393 3.209 -0.723 1.00 0.00 C ATOM 0 H ALA A 58 3.983 5.803 -0.429 1.00 0.00 H new ATOM 0 HA ALA A 58 5.404 4.313 -2.566 1.00 0.00 H new ATOM 0 HB1 ALA A 58 5.384 2.239 -1.219 1.00 0.00 H new ATOM 0 HB2 ALA A 58 6.419 3.478 -0.471 1.00 0.00 H new ATOM 0 HB3 ALA A 58 4.797 3.156 0.188 1.00 0.00 H new ATOM 921 N PHE A 59 3.181 2.990 -2.915 1.00 0.00 N ATOM 922 CA PHE A 59 1.804 2.563 -3.283 1.00 0.00 C ATOM 923 C PHE A 59 1.777 1.040 -3.299 1.00 0.00 C ATOM 924 O PHE A 59 2.470 0.424 -4.074 1.00 0.00 O ATOM 925 CB PHE A 59 1.445 3.098 -4.677 1.00 0.00 C ATOM 926 CG PHE A 59 2.272 4.325 -4.988 1.00 0.00 C ATOM 927 CD1 PHE A 59 1.881 5.575 -4.498 1.00 0.00 C ATOM 928 CD2 PHE A 59 3.434 4.208 -5.763 1.00 0.00 C ATOM 929 CE1 PHE A 59 2.650 6.710 -4.782 1.00 0.00 C ATOM 930 CE2 PHE A 59 4.202 5.342 -6.048 1.00 0.00 C ATOM 931 CZ PHE A 59 3.811 6.594 -5.557 1.00 0.00 C ATOM 0 H PHE A 59 3.930 2.527 -3.429 1.00 0.00 H new ATOM 0 HA PHE A 59 1.083 2.953 -2.565 1.00 0.00 H new ATOM 0 HB2 PHE A 59 1.624 2.329 -5.428 1.00 0.00 H new ATOM 0 HB3 PHE A 59 0.384 3.344 -4.719 1.00 0.00 H new ATOM 0 HD1 PHE A 59 0.986 5.665 -3.900 1.00 0.00 H new ATOM 0 HD2 PHE A 59 3.736 3.242 -6.140 1.00 0.00 H new ATOM 0 HE1 PHE A 59 2.348 7.675 -4.403 1.00 0.00 H new ATOM 0 HE2 PHE A 59 5.096 5.252 -6.647 1.00 0.00 H new ATOM 0 HZ PHE A 59 4.404 7.470 -5.776 1.00 0.00 H new ATOM 941 N VAL A 60 1.008 0.406 -2.452 1.00 0.00 N ATOM 942 CA VAL A 60 1.012 -1.082 -2.477 1.00 0.00 C ATOM 943 C VAL A 60 0.004 -1.587 -3.510 1.00 0.00 C ATOM 944 O VAL A 60 -0.852 -0.864 -3.988 1.00 0.00 O ATOM 945 CB VAL A 60 0.748 -1.670 -1.070 1.00 0.00 C ATOM 946 CG1 VAL A 60 -0.556 -2.470 -1.039 1.00 0.00 C ATOM 947 CG2 VAL A 60 1.897 -2.613 -0.697 1.00 0.00 C ATOM 0 H VAL A 60 0.394 0.841 -1.763 1.00 0.00 H new ATOM 0 HA VAL A 60 2.002 -1.427 -2.775 1.00 0.00 H new ATOM 0 HB VAL A 60 0.674 -0.842 -0.365 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -0.714 -2.870 -0.037 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -1.389 -1.819 -1.305 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -0.496 -3.292 -1.753 1.00 0.00 H new ATOM 0 HG21 VAL A 60 1.718 -3.031 0.294 1.00 0.00 H new ATOM 0 HG22 VAL A 60 1.956 -3.421 -1.427 1.00 0.00 H new ATOM 0 HG23 VAL A 60 2.836 -2.059 -0.692 1.00 0.00 H new ATOM 957 N ARG A 61 0.176 -2.820 -3.877 1.00 0.00 N ATOM 958 CA ARG A 61 -0.646 -3.476 -4.933 1.00 0.00 C ATOM 959 C ARG A 61 -2.024 -3.955 -4.463 1.00 0.00 C ATOM 960 O ARG A 61 -2.136 -4.968 -3.816 1.00 0.00 O ATOM 961 CB ARG A 61 0.131 -4.723 -5.340 1.00 0.00 C ATOM 962 CG ARG A 61 1.199 -4.410 -6.353 1.00 0.00 C ATOM 963 CD ARG A 61 1.160 -5.407 -7.520 1.00 0.00 C ATOM 964 NE ARG A 61 2.202 -6.455 -7.329 1.00 0.00 N ATOM 965 CZ ARG A 61 2.533 -7.229 -8.326 1.00 0.00 C ATOM 966 NH1 ARG A 61 1.607 -7.867 -8.989 1.00 0.00 N ATOM 967 NH2 ARG A 61 3.786 -7.366 -8.658 1.00 0.00 N ATOM 0 H ARG A 61 0.885 -3.430 -3.471 1.00 0.00 H new ATOM 0 HA ARG A 61 -0.817 -2.746 -5.724 1.00 0.00 H new ATOM 0 HB2 ARG A 61 0.587 -5.171 -4.457 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -0.557 -5.461 -5.753 1.00 0.00 H new ATOM 0 HG2 ARG A 61 1.061 -3.397 -6.731 1.00 0.00 H new ATOM 0 HG3 ARG A 61 2.178 -4.442 -5.876 1.00 0.00 H new ATOM 0 HD2 ARG A 61 0.175 -5.869 -7.582 1.00 0.00 H new ATOM 0 HD3 ARG A 61 1.327 -4.884 -8.462 1.00 0.00 H new ATOM 0 HE ARG A 61 2.655 -6.567 -6.422 1.00 0.00 H new ATOM 0 HH11 ARG A 61 0.627 -7.760 -8.727 1.00 0.00 H new ATOM 0 HH12 ARG A 61 1.864 -8.473 -9.769 1.00 0.00 H new ATOM 0 HH21 ARG A 61 4.509 -6.868 -8.138 1.00 0.00 H new ATOM 0 HH22 ARG A 61 4.044 -7.971 -9.437 1.00 0.00 H new ATOM 981 N TYR A 62 -3.079 -3.297 -4.858 1.00 0.00 N ATOM 982 CA TYR A 62 -4.435 -3.805 -4.491 1.00 0.00 C ATOM 983 C TYR A 62 -5.496 -3.141 -5.361 1.00 0.00 C ATOM 984 O TYR A 62 -5.417 -1.970 -5.663 1.00 0.00 O ATOM 985 CB TYR A 62 -4.737 -3.540 -3.014 1.00 0.00 C ATOM 986 CG TYR A 62 -3.955 -4.530 -2.194 1.00 0.00 C ATOM 987 CD1 TYR A 62 -4.228 -5.898 -2.292 1.00 0.00 C ATOM 988 CD2 TYR A 62 -2.922 -4.081 -1.381 1.00 0.00 C ATOM 989 CE1 TYR A 62 -3.454 -6.815 -1.572 1.00 0.00 C ATOM 990 CE2 TYR A 62 -2.152 -4.992 -0.653 1.00 0.00 C ATOM 991 CZ TYR A 62 -2.415 -6.361 -0.750 1.00 0.00 C ATOM 992 OH TYR A 62 -1.642 -7.264 -0.049 1.00 0.00 O ATOM 0 H TYR A 62 -3.065 -2.441 -5.412 1.00 0.00 H new ATOM 0 HA TYR A 62 -4.451 -4.882 -4.660 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -4.461 -2.520 -2.746 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -5.804 -3.643 -2.819 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -5.034 -6.246 -2.921 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -2.713 -3.024 -1.311 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -3.658 -7.873 -1.650 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -1.355 -4.638 -0.016 1.00 0.00 H new ATOM 0 HH TYR A 62 -0.929 -7.604 -0.629 1.00 0.00 H new ATOM 1002 N ASN A 63 -6.518 -3.866 -5.722 1.00 0.00 N ATOM 1003 CA ASN A 63 -7.608 -3.260 -6.501 1.00 0.00 C ATOM 1004 C ASN A 63 -8.879 -3.550 -5.714 1.00 0.00 C ATOM 1005 O ASN A 63 -8.890 -3.364 -4.517 1.00 0.00 O ATOM 1006 CB ASN A 63 -7.685 -3.823 -7.924 1.00 0.00 C ATOM 1007 CG ASN A 63 -8.037 -5.321 -7.923 1.00 0.00 C ATOM 1008 OD1 ASN A 63 -7.280 -6.179 -7.293 1.00 0.00 O flip ATOM 1009 ND2 ASN A 63 -9.018 -5.717 -8.519 1.00 0.00 N flip ATOM 0 H ASN A 63 -6.636 -4.856 -5.505 1.00 0.00 H new ATOM 0 HA ASN A 63 -7.449 -2.189 -6.631 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -8.434 -3.273 -8.493 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -6.730 -3.674 -8.427 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -9.616 -5.055 -9.014 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -9.244 -6.712 -8.525 1.00 0.00 H new ATOM 1016 N LYS A 64 -9.922 -4.018 -6.348 1.00 0.00 N ATOM 1017 CA LYS A 64 -11.202 -4.334 -5.617 1.00 0.00 C ATOM 1018 C LYS A 64 -11.221 -3.642 -4.251 1.00 0.00 C ATOM 1019 O LYS A 64 -10.676 -4.147 -3.295 1.00 0.00 O ATOM 1020 CB LYS A 64 -11.335 -5.850 -5.409 1.00 0.00 C ATOM 1021 CG LYS A 64 -10.433 -6.604 -6.388 1.00 0.00 C ATOM 1022 CD LYS A 64 -10.653 -8.110 -6.230 1.00 0.00 C ATOM 1023 CE LYS A 64 -11.705 -8.583 -7.236 1.00 0.00 C ATOM 1024 NZ LYS A 64 -12.054 -10.005 -6.959 1.00 0.00 N ATOM 0 H LYS A 64 -9.949 -4.199 -7.351 1.00 0.00 H new ATOM 0 HA LYS A 64 -12.035 -3.972 -6.220 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -11.066 -6.108 -4.385 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -12.372 -6.154 -5.552 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -10.654 -6.299 -7.411 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -9.388 -6.357 -6.200 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -9.716 -8.643 -6.390 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -10.979 -8.336 -5.215 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -12.596 -7.959 -7.167 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -11.323 -8.482 -8.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -12.769 -10.327 -7.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -11.202 -10.595 -7.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -12.435 -10.087 -5.995 1.00 0.00 H new ATOM 1038 N ARG A 65 -11.804 -2.478 -4.177 1.00 0.00 N ATOM 1039 CA ARG A 65 -11.842 -1.709 -2.891 1.00 0.00 C ATOM 1040 C ARG A 65 -11.815 -2.663 -1.691 1.00 0.00 C ATOM 1041 O ARG A 65 -11.145 -2.413 -0.708 1.00 0.00 O ATOM 1042 CB ARG A 65 -13.119 -0.868 -2.850 1.00 0.00 C ATOM 1043 CG ARG A 65 -13.126 0.101 -4.035 1.00 0.00 C ATOM 1044 CD ARG A 65 -13.938 -0.494 -5.188 1.00 0.00 C ATOM 1045 NE ARG A 65 -15.386 -0.230 -4.966 1.00 0.00 N ATOM 1046 CZ ARG A 65 -16.251 -1.199 -5.096 1.00 0.00 C ATOM 1047 NH1 ARG A 65 -16.069 -2.323 -4.458 1.00 0.00 N ATOM 1048 NH2 ARG A 65 -17.291 -1.048 -5.870 1.00 0.00 N ATOM 0 H ARG A 65 -12.264 -2.016 -4.962 1.00 0.00 H new ATOM 0 HA ARG A 65 -10.967 -1.062 -2.837 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -13.995 -1.515 -2.889 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -13.173 -0.314 -1.913 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -13.554 1.057 -3.732 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -12.105 0.298 -4.361 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -13.619 -0.057 -6.134 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -13.760 -1.567 -5.256 1.00 0.00 H new ATOM 0 HE ARG A 65 -15.702 0.706 -4.713 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -15.252 -2.443 -3.859 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -16.744 -3.081 -4.558 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -17.429 -0.172 -6.374 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -17.966 -1.806 -5.971 1.00 0.00 H new ATOM 1062 N GLU A 66 -12.512 -3.765 -1.767 1.00 0.00 N ATOM 1063 CA GLU A 66 -12.488 -4.730 -0.632 1.00 0.00 C ATOM 1064 C GLU A 66 -11.061 -5.267 -0.487 1.00 0.00 C ATOM 1065 O GLU A 66 -10.447 -5.167 0.560 1.00 0.00 O ATOM 1066 CB GLU A 66 -13.448 -5.887 -0.921 1.00 0.00 C ATOM 1067 CG GLU A 66 -14.357 -6.114 0.289 1.00 0.00 C ATOM 1068 CD GLU A 66 -15.165 -7.397 0.087 1.00 0.00 C ATOM 1069 OE1 GLU A 66 -14.552 -8.436 -0.099 1.00 0.00 O ATOM 1070 OE2 GLU A 66 -16.382 -7.319 0.120 1.00 0.00 O ATOM 0 H GLU A 66 -13.093 -4.037 -2.560 1.00 0.00 H new ATOM 0 HA GLU A 66 -12.798 -4.236 0.289 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -14.048 -5.663 -1.803 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -12.885 -6.794 -1.141 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -13.759 -6.187 1.198 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -15.029 -5.265 0.417 1.00 0.00 H new ATOM 1077 N GLU A 67 -10.523 -5.827 -1.536 1.00 0.00 N ATOM 1078 CA GLU A 67 -9.133 -6.353 -1.469 1.00 0.00 C ATOM 1079 C GLU A 67 -8.234 -5.328 -0.772 1.00 0.00 C ATOM 1080 O GLU A 67 -7.440 -5.669 0.083 1.00 0.00 O ATOM 1081 CB GLU A 67 -8.618 -6.608 -2.886 1.00 0.00 C ATOM 1082 CG GLU A 67 -8.166 -8.062 -3.011 1.00 0.00 C ATOM 1083 CD GLU A 67 -7.258 -8.208 -4.232 1.00 0.00 C ATOM 1084 OE1 GLU A 67 -6.282 -7.479 -4.310 1.00 0.00 O ATOM 1085 OE2 GLU A 67 -7.553 -9.045 -5.070 1.00 0.00 O ATOM 0 H GLU A 67 -10.988 -5.942 -2.437 1.00 0.00 H new ATOM 0 HA GLU A 67 -9.122 -7.286 -0.906 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -9.402 -6.396 -3.613 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -7.788 -5.938 -3.109 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -7.634 -8.368 -2.110 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -9.032 -8.717 -3.108 1.00 0.00 H new ATOM 1092 N ALA A 68 -8.347 -4.070 -1.112 1.00 0.00 N ATOM 1093 CA ALA A 68 -7.490 -3.065 -0.427 1.00 0.00 C ATOM 1094 C ALA A 68 -7.738 -3.189 1.074 1.00 0.00 C ATOM 1095 O ALA A 68 -6.817 -3.237 1.865 1.00 0.00 O ATOM 1096 CB ALA A 68 -7.839 -1.652 -0.900 1.00 0.00 C ATOM 0 H ALA A 68 -8.983 -3.703 -1.820 1.00 0.00 H new ATOM 0 HA ALA A 68 -6.441 -3.246 -0.659 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -7.203 -0.930 -0.389 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -7.680 -1.579 -1.976 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -8.884 -1.440 -0.673 1.00 0.00 H new ATOM 1102 N GLN A 69 -8.982 -3.269 1.468 1.00 0.00 N ATOM 1103 CA GLN A 69 -9.295 -3.424 2.914 1.00 0.00 C ATOM 1104 C GLN A 69 -8.364 -4.490 3.489 1.00 0.00 C ATOM 1105 O GLN A 69 -7.863 -4.367 4.587 1.00 0.00 O ATOM 1106 CB GLN A 69 -10.750 -3.863 3.081 1.00 0.00 C ATOM 1107 CG GLN A 69 -11.392 -3.072 4.221 1.00 0.00 C ATOM 1108 CD GLN A 69 -12.851 -2.775 3.879 1.00 0.00 C ATOM 1109 OE1 GLN A 69 -13.361 -3.247 2.882 1.00 0.00 O ATOM 1110 NE2 GLN A 69 -13.550 -2.006 4.669 1.00 0.00 N ATOM 0 H GLN A 69 -9.792 -3.233 0.849 1.00 0.00 H new ATOM 0 HA GLN A 69 -9.153 -2.478 3.437 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -11.300 -3.698 2.154 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -10.797 -4.931 3.293 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -11.334 -3.640 5.149 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -10.849 -2.141 4.382 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -13.121 -1.610 5.506 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -14.525 -1.801 4.450 1.00 0.00 H new ATOM 1119 N GLU A 70 -8.114 -5.530 2.738 1.00 0.00 N ATOM 1120 CA GLU A 70 -7.190 -6.592 3.225 1.00 0.00 C ATOM 1121 C GLU A 70 -5.847 -5.948 3.536 1.00 0.00 C ATOM 1122 O GLU A 70 -5.316 -6.065 4.622 1.00 0.00 O ATOM 1123 CB GLU A 70 -6.972 -7.641 2.131 1.00 0.00 C ATOM 1124 CG GLU A 70 -8.288 -8.359 1.830 1.00 0.00 C ATOM 1125 CD GLU A 70 -8.717 -9.174 3.052 1.00 0.00 C ATOM 1126 OE1 GLU A 70 -7.850 -9.751 3.690 1.00 0.00 O ATOM 1127 OE2 GLU A 70 -9.905 -9.209 3.328 1.00 0.00 O ATOM 0 H GLU A 70 -8.509 -5.688 1.811 1.00 0.00 H new ATOM 0 HA GLU A 70 -7.617 -7.068 4.108 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -6.593 -7.164 1.227 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -6.219 -8.362 2.451 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -9.060 -7.633 1.575 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -8.168 -9.014 0.967 1.00 0.00 H new ATOM 1134 N ALA A 71 -5.295 -5.270 2.572 1.00 0.00 N ATOM 1135 CA ALA A 71 -3.980 -4.607 2.771 1.00 0.00 C ATOM 1136 C ALA A 71 -4.081 -3.569 3.888 1.00 0.00 C ATOM 1137 O ALA A 71 -3.093 -3.073 4.390 1.00 0.00 O ATOM 1138 CB ALA A 71 -3.586 -3.924 1.471 1.00 0.00 C ATOM 0 H ALA A 71 -5.703 -5.146 1.646 1.00 0.00 H new ATOM 0 HA ALA A 71 -3.230 -5.347 3.051 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -2.622 -3.431 1.597 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -3.512 -4.667 0.677 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -4.341 -3.183 1.206 1.00 0.00 H new ATOM 1144 N ILE A 72 -5.265 -3.231 4.289 1.00 0.00 N ATOM 1145 CA ILE A 72 -5.408 -2.233 5.376 1.00 0.00 C ATOM 1146 C ILE A 72 -5.251 -2.946 6.719 1.00 0.00 C ATOM 1147 O ILE A 72 -4.331 -2.684 7.467 1.00 0.00 O ATOM 1148 CB ILE A 72 -6.781 -1.574 5.277 1.00 0.00 C ATOM 1149 CG1 ILE A 72 -6.931 -0.953 3.878 1.00 0.00 C ATOM 1150 CG2 ILE A 72 -6.910 -0.492 6.352 1.00 0.00 C ATOM 1151 CD1 ILE A 72 -6.242 0.416 3.829 1.00 0.00 C ATOM 0 H ILE A 72 -6.139 -3.600 3.914 1.00 0.00 H new ATOM 0 HA ILE A 72 -4.644 -1.461 5.288 1.00 0.00 H new ATOM 0 HB ILE A 72 -7.565 -2.315 5.433 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -6.495 -1.615 3.130 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -7.987 -0.846 3.631 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -7.891 -0.022 6.280 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -6.795 -0.943 7.338 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -6.136 0.261 6.205 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -6.355 0.845 2.833 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -6.698 1.079 4.564 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -5.182 0.298 4.055 1.00 0.00 H new ATOM 1163 N SER A 73 -6.127 -3.865 7.022 1.00 0.00 N ATOM 1164 CA SER A 73 -6.016 -4.609 8.310 1.00 0.00 C ATOM 1165 C SER A 73 -4.922 -5.677 8.200 1.00 0.00 C ATOM 1166 O SER A 73 -4.745 -6.488 9.087 1.00 0.00 O ATOM 1167 CB SER A 73 -7.354 -5.282 8.618 1.00 0.00 C ATOM 1168 OG SER A 73 -7.884 -4.745 9.824 1.00 0.00 O ATOM 0 H SER A 73 -6.915 -4.133 6.433 1.00 0.00 H new ATOM 0 HA SER A 73 -5.759 -3.914 9.109 1.00 0.00 H new ATOM 0 HB2 SER A 73 -8.053 -5.121 7.797 1.00 0.00 H new ATOM 0 HB3 SER A 73 -7.219 -6.359 8.715 1.00 0.00 H new ATOM 0 HG SER A 73 -8.743 -5.173 10.023 1.00 0.00 H new ATOM 1174 N ALA A 74 -4.190 -5.694 7.117 1.00 0.00 N ATOM 1175 CA ALA A 74 -3.118 -6.717 6.960 1.00 0.00 C ATOM 1176 C ALA A 74 -1.797 -6.038 6.580 1.00 0.00 C ATOM 1177 O ALA A 74 -0.780 -6.252 7.207 1.00 0.00 O ATOM 1178 CB ALA A 74 -3.515 -7.703 5.859 1.00 0.00 C ATOM 0 H ALA A 74 -4.289 -5.045 6.337 1.00 0.00 H new ATOM 0 HA ALA A 74 -2.990 -7.248 7.903 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -2.732 -8.452 5.742 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -4.450 -8.194 6.130 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -3.646 -7.166 4.920 1.00 0.00 H new ATOM 1184 N LEU A 75 -1.802 -5.226 5.555 1.00 0.00 N ATOM 1185 CA LEU A 75 -0.541 -4.545 5.137 1.00 0.00 C ATOM 1186 C LEU A 75 -0.268 -3.345 6.048 1.00 0.00 C ATOM 1187 O LEU A 75 0.865 -2.956 6.226 1.00 0.00 O ATOM 1188 CB LEU A 75 -0.662 -4.075 3.684 1.00 0.00 C ATOM 1189 CG LEU A 75 0.162 -4.991 2.782 1.00 0.00 C ATOM 1190 CD1 LEU A 75 -0.746 -6.074 2.206 1.00 0.00 C ATOM 1191 CD2 LEU A 75 0.765 -4.177 1.637 1.00 0.00 C ATOM 0 H LEU A 75 -2.623 -5.005 4.991 1.00 0.00 H new ATOM 0 HA LEU A 75 0.287 -5.249 5.219 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -1.707 -4.085 3.373 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -0.312 -3.047 3.593 1.00 0.00 H new ATOM 0 HG LEU A 75 0.963 -5.449 3.362 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -0.164 -6.732 1.561 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -1.180 -6.655 3.019 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -1.543 -5.610 1.626 1.00 0.00 H new ATOM 0 HD21 LEU A 75 1.353 -4.833 0.995 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -0.035 -3.720 1.055 1.00 0.00 H new ATOM 0 HD23 LEU A 75 1.408 -3.397 2.044 1.00 0.00 H new ATOM 1203 N ASN A 76 -1.273 -2.752 6.644 1.00 0.00 N ATOM 1204 CA ASN A 76 -0.980 -1.597 7.544 1.00 0.00 C ATOM 1205 C ASN A 76 0.146 -2.020 8.491 1.00 0.00 C ATOM 1206 O ASN A 76 -0.070 -2.680 9.488 1.00 0.00 O ATOM 1207 CB ASN A 76 -2.229 -1.196 8.341 1.00 0.00 C ATOM 1208 CG ASN A 76 -2.557 -2.252 9.404 1.00 0.00 C ATOM 1209 OD1 ASN A 76 -2.642 -3.512 9.068 1.00 0.00 O flip ATOM 1210 ND2 ASN A 76 -2.739 -1.924 10.560 1.00 0.00 N flip ATOM 0 H ASN A 76 -2.256 -3.008 6.551 1.00 0.00 H new ATOM 0 HA ASN A 76 -0.678 -0.730 6.956 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -2.067 -0.230 8.819 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -3.076 -1.079 7.665 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -2.674 -0.942 10.828 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -2.957 -2.631 11.262 1.00 0.00 H new ATOM 1217 N ASN A 77 1.358 -1.682 8.155 1.00 0.00 N ATOM 1218 CA ASN A 77 2.507 -2.097 8.998 1.00 0.00 C ATOM 1219 C ASN A 77 2.761 -3.593 8.780 1.00 0.00 C ATOM 1220 O ASN A 77 2.720 -4.376 9.707 1.00 0.00 O ATOM 1221 CB ASN A 77 2.188 -1.841 10.472 1.00 0.00 C ATOM 1222 CG ASN A 77 1.414 -0.529 10.605 1.00 0.00 C ATOM 1223 OD1 ASN A 77 1.724 0.442 9.944 1.00 0.00 O ATOM 1224 ND2 ASN A 77 0.415 -0.456 11.441 1.00 0.00 N ATOM 0 H ASN A 77 1.601 -1.134 7.330 1.00 0.00 H new ATOM 0 HA ASN A 77 3.392 -1.524 8.723 1.00 0.00 H new ATOM 0 HB2 ASN A 77 1.600 -2.665 10.876 1.00 0.00 H new ATOM 0 HB3 ASN A 77 3.110 -1.792 11.052 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -0.105 0.416 11.539 1.00 0.00 H new ATOM 0 HD22 ASN A 77 0.154 -1.271 11.996 1.00 0.00 H new ATOM 1231 N VAL A 78 3.025 -3.998 7.559 1.00 0.00 N ATOM 1232 CA VAL A 78 3.283 -5.453 7.303 1.00 0.00 C ATOM 1233 C VAL A 78 4.719 -5.776 7.708 1.00 0.00 C ATOM 1234 O VAL A 78 5.604 -5.889 6.881 1.00 0.00 O ATOM 1235 CB VAL A 78 3.074 -5.839 5.819 1.00 0.00 C ATOM 1236 CG1 VAL A 78 1.875 -6.779 5.705 1.00 0.00 C ATOM 1237 CG2 VAL A 78 2.845 -4.606 4.943 1.00 0.00 C ATOM 0 H VAL A 78 3.073 -3.394 6.739 1.00 0.00 H new ATOM 0 HA VAL A 78 2.568 -6.027 7.893 1.00 0.00 H new ATOM 0 HB VAL A 78 3.978 -6.337 5.467 1.00 0.00 H new ATOM 0 HG11 VAL A 78 1.725 -7.053 4.661 1.00 0.00 H new ATOM 0 HG12 VAL A 78 2.060 -7.678 6.293 1.00 0.00 H new ATOM 0 HG13 VAL A 78 0.983 -6.278 6.080 1.00 0.00 H new ATOM 0 HG21 VAL A 78 2.702 -4.916 3.908 1.00 0.00 H new ATOM 0 HG22 VAL A 78 1.958 -4.074 5.288 1.00 0.00 H new ATOM 0 HG23 VAL A 78 3.711 -3.947 5.008 1.00 0.00 H new ATOM 1247 N ILE A 79 4.956 -5.920 8.982 1.00 0.00 N ATOM 1248 CA ILE A 79 6.333 -6.230 9.462 1.00 0.00 C ATOM 1249 C ILE A 79 6.259 -7.374 10.474 1.00 0.00 C ATOM 1250 O ILE A 79 5.266 -8.069 10.554 1.00 0.00 O ATOM 1251 CB ILE A 79 6.948 -4.994 10.138 1.00 0.00 C ATOM 1252 CG1 ILE A 79 5.919 -3.860 10.210 1.00 0.00 C ATOM 1253 CG2 ILE A 79 8.160 -4.521 9.333 1.00 0.00 C ATOM 1254 CD1 ILE A 79 6.407 -2.791 11.190 1.00 0.00 C ATOM 0 H ILE A 79 4.252 -5.836 9.715 1.00 0.00 H new ATOM 0 HA ILE A 79 6.955 -6.517 8.614 1.00 0.00 H new ATOM 0 HB ILE A 79 7.255 -5.263 11.149 1.00 0.00 H new ATOM 0 HG12 ILE A 79 5.773 -3.424 9.222 1.00 0.00 H new ATOM 0 HG13 ILE A 79 4.954 -4.250 10.532 1.00 0.00 H new ATOM 0 HG21 ILE A 79 8.596 -3.645 9.813 1.00 0.00 H new ATOM 0 HG22 ILE A 79 8.902 -5.318 9.291 1.00 0.00 H new ATOM 0 HG23 ILE A 79 7.847 -4.263 8.321 1.00 0.00 H new ATOM 0 HD11 ILE A 79 5.676 -1.984 11.242 1.00 0.00 H new ATOM 0 HD12 ILE A 79 6.530 -3.233 12.179 1.00 0.00 H new ATOM 0 HD13 ILE A 79 7.363 -2.393 10.848 1.00 0.00 H new ATOM 1266 N PRO A 80 7.319 -7.527 11.219 1.00 0.00 N ATOM 1267 CA PRO A 80 7.331 -8.607 12.230 1.00 0.00 C ATOM 1268 C PRO A 80 7.083 -8.022 13.624 1.00 0.00 C ATOM 1269 O PRO A 80 7.671 -8.445 14.599 1.00 0.00 O ATOM 1270 CB PRO A 80 8.734 -9.206 12.133 1.00 0.00 C ATOM 1271 CG PRO A 80 9.627 -8.116 11.511 1.00 0.00 C ATOM 1272 CD PRO A 80 8.684 -7.136 10.793 1.00 0.00 C ATOM 0 HA PRO A 80 6.555 -9.354 12.061 1.00 0.00 H new ATOM 0 HB2 PRO A 80 9.102 -9.495 13.117 1.00 0.00 H new ATOM 0 HB3 PRO A 80 8.731 -10.105 11.517 1.00 0.00 H new ATOM 0 HG2 PRO A 80 10.207 -7.604 12.279 1.00 0.00 H new ATOM 0 HG3 PRO A 80 10.340 -8.551 10.811 1.00 0.00 H new ATOM 0 HD2 PRO A 80 8.903 -6.105 11.070 1.00 0.00 H new ATOM 0 HD3 PRO A 80 8.794 -7.205 9.711 1.00 0.00 H new ATOM 1280 N GLU A 81 6.217 -7.050 13.722 1.00 0.00 N ATOM 1281 CA GLU A 81 5.932 -6.437 15.049 1.00 0.00 C ATOM 1282 C GLU A 81 7.252 -6.122 15.756 1.00 0.00 C ATOM 1283 O GLU A 81 7.528 -6.625 16.827 1.00 0.00 O ATOM 1284 CB GLU A 81 5.119 -7.412 15.900 1.00 0.00 C ATOM 1285 CG GLU A 81 3.812 -6.742 16.330 1.00 0.00 C ATOM 1286 CD GLU A 81 4.126 -5.532 17.212 1.00 0.00 C ATOM 1287 OE1 GLU A 81 4.876 -4.679 16.771 1.00 0.00 O ATOM 1288 OE2 GLU A 81 3.608 -5.480 18.317 1.00 0.00 O ATOM 0 H GLU A 81 5.695 -6.655 12.940 1.00 0.00 H new ATOM 0 HA GLU A 81 5.363 -5.518 14.910 1.00 0.00 H new ATOM 0 HB2 GLU A 81 4.907 -8.318 15.332 1.00 0.00 H new ATOM 0 HB3 GLU A 81 5.692 -7.712 16.777 1.00 0.00 H new ATOM 0 HG2 GLU A 81 3.245 -6.429 15.453 1.00 0.00 H new ATOM 0 HG3 GLU A 81 3.189 -7.451 16.875 1.00 0.00 H new ATOM 1295 N GLY A 82 8.070 -5.296 15.164 1.00 0.00 N ATOM 1296 CA GLY A 82 9.371 -4.951 15.802 1.00 0.00 C ATOM 1297 C GLY A 82 10.300 -4.328 14.757 1.00 0.00 C ATOM 1298 O GLY A 82 10.927 -3.314 14.996 1.00 0.00 O ATOM 0 H GLY A 82 7.894 -4.845 14.266 1.00 0.00 H new ATOM 0 HA2 GLY A 82 9.212 -4.254 16.625 1.00 0.00 H new ATOM 0 HA3 GLY A 82 9.829 -5.845 16.226 1.00 0.00 H new ATOM 1302 N GLY A 83 10.391 -4.924 13.599 1.00 0.00 N ATOM 1303 CA GLY A 83 11.279 -4.362 12.540 1.00 0.00 C ATOM 1304 C GLY A 83 10.925 -2.894 12.309 1.00 0.00 C ATOM 1305 O GLY A 83 10.096 -2.330 12.997 1.00 0.00 O ATOM 0 H GLY A 83 9.890 -5.774 13.340 1.00 0.00 H new ATOM 0 HA2 GLY A 83 12.323 -4.453 12.839 1.00 0.00 H new ATOM 0 HA3 GLY A 83 11.162 -4.926 11.615 1.00 0.00 H new ATOM 1309 N SER A 84 11.546 -2.263 11.350 1.00 0.00 N ATOM 1310 CA SER A 84 11.242 -0.828 11.087 1.00 0.00 C ATOM 1311 C SER A 84 10.931 -0.630 9.602 1.00 0.00 C ATOM 1312 O SER A 84 11.737 -0.118 8.851 1.00 0.00 O ATOM 1313 CB SER A 84 12.450 0.025 11.475 1.00 0.00 C ATOM 1314 OG SER A 84 13.630 -0.562 10.946 1.00 0.00 O ATOM 0 H SER A 84 12.249 -2.678 10.739 1.00 0.00 H new ATOM 0 HA SER A 84 10.377 -0.527 11.678 1.00 0.00 H new ATOM 0 HB2 SER A 84 12.332 1.039 11.092 1.00 0.00 H new ATOM 0 HB3 SER A 84 12.523 0.100 12.560 1.00 0.00 H new ATOM 0 HG SER A 84 13.568 -0.597 9.969 1.00 0.00 H new ATOM 1320 N GLN A 85 9.763 -1.027 9.176 1.00 0.00 N ATOM 1321 CA GLN A 85 9.393 -0.859 7.741 1.00 0.00 C ATOM 1322 C GLN A 85 7.886 -1.065 7.567 1.00 0.00 C ATOM 1323 O GLN A 85 7.459 -1.990 6.907 1.00 0.00 O ATOM 1324 CB GLN A 85 10.150 -1.886 6.894 1.00 0.00 C ATOM 1325 CG GLN A 85 10.136 -3.254 7.588 1.00 0.00 C ATOM 1326 CD GLN A 85 11.504 -3.919 7.426 1.00 0.00 C ATOM 1327 OE1 GLN A 85 11.655 -4.843 6.651 1.00 0.00 O ATOM 1328 NE2 GLN A 85 12.515 -3.485 8.126 1.00 0.00 N ATOM 0 H GLN A 85 9.048 -1.461 9.760 1.00 0.00 H new ATOM 0 HA GLN A 85 9.658 0.147 7.417 1.00 0.00 H new ATOM 0 HB2 GLN A 85 9.692 -1.965 5.908 1.00 0.00 H new ATOM 0 HB3 GLN A 85 11.178 -1.557 6.742 1.00 0.00 H new ATOM 0 HG2 GLN A 85 9.900 -3.135 8.645 1.00 0.00 H new ATOM 0 HG3 GLN A 85 9.359 -3.885 7.157 1.00 0.00 H new ATOM 0 HE21 GLN A 85 12.389 -2.710 8.777 1.00 0.00 H new ATOM 0 HE22 GLN A 85 13.431 -3.921 8.023 1.00 0.00 H new ATOM 1337 N PRO A 86 7.128 -0.185 8.168 1.00 0.00 N ATOM 1338 CA PRO A 86 5.657 -0.308 8.050 1.00 0.00 C ATOM 1339 C PRO A 86 5.140 0.521 6.869 1.00 0.00 C ATOM 1340 O PRO A 86 5.903 1.022 6.068 1.00 0.00 O ATOM 1341 CB PRO A 86 5.118 0.243 9.369 1.00 0.00 C ATOM 1342 CG PRO A 86 6.216 1.163 9.931 1.00 0.00 C ATOM 1343 CD PRO A 86 7.531 0.736 9.258 1.00 0.00 C ATOM 0 HA PRO A 86 5.341 -1.335 7.870 1.00 0.00 H new ATOM 0 HB2 PRO A 86 4.191 0.795 9.211 1.00 0.00 H new ATOM 0 HB3 PRO A 86 4.893 -0.565 10.065 1.00 0.00 H new ATOM 0 HG2 PRO A 86 5.993 2.208 9.718 1.00 0.00 H new ATOM 0 HG3 PRO A 86 6.286 1.067 11.014 1.00 0.00 H new ATOM 0 HD2 PRO A 86 8.071 1.598 8.866 1.00 0.00 H new ATOM 0 HD3 PRO A 86 8.194 0.241 9.967 1.00 0.00 H new ATOM 1351 N LEU A 87 3.845 0.661 6.753 1.00 0.00 N ATOM 1352 CA LEU A 87 3.277 1.449 5.623 1.00 0.00 C ATOM 1353 C LEU A 87 1.962 2.102 6.048 1.00 0.00 C ATOM 1354 O LEU A 87 1.034 1.431 6.457 1.00 0.00 O ATOM 1355 CB LEU A 87 2.989 0.525 4.426 1.00 0.00 C ATOM 1356 CG LEU A 87 2.860 -0.928 4.882 1.00 0.00 C ATOM 1357 CD1 LEU A 87 1.706 -1.594 4.129 1.00 0.00 C ATOM 1358 CD2 LEU A 87 4.162 -1.669 4.579 1.00 0.00 C ATOM 0 H LEU A 87 3.157 0.263 7.393 1.00 0.00 H new ATOM 0 HA LEU A 87 4.002 2.213 5.341 1.00 0.00 H new ATOM 0 HB2 LEU A 87 2.070 0.839 3.931 1.00 0.00 H new ATOM 0 HB3 LEU A 87 3.791 0.611 3.693 1.00 0.00 H new ATOM 0 HG LEU A 87 2.662 -0.961 5.953 1.00 0.00 H new ATOM 0 HD11 LEU A 87 1.611 -2.631 4.452 1.00 0.00 H new ATOM 0 HD12 LEU A 87 0.778 -1.062 4.340 1.00 0.00 H new ATOM 0 HD13 LEU A 87 1.905 -1.564 3.058 1.00 0.00 H new ATOM 0 HD21 LEU A 87 4.074 -2.706 4.903 1.00 0.00 H new ATOM 0 HD22 LEU A 87 4.357 -1.639 3.507 1.00 0.00 H new ATOM 0 HD23 LEU A 87 4.985 -1.191 5.111 1.00 0.00 H new ATOM 1370 N SER A 88 1.849 3.398 5.917 1.00 0.00 N ATOM 1371 CA SER A 88 0.564 4.055 6.276 1.00 0.00 C ATOM 1372 C SER A 88 -0.392 3.801 5.115 1.00 0.00 C ATOM 1373 O SER A 88 -0.302 4.428 4.082 1.00 0.00 O ATOM 1374 CB SER A 88 0.777 5.559 6.457 1.00 0.00 C ATOM 1375 OG SER A 88 -0.389 6.135 7.029 1.00 0.00 O ATOM 0 H SER A 88 2.583 4.021 5.581 1.00 0.00 H new ATOM 0 HA SER A 88 0.166 3.659 7.210 1.00 0.00 H new ATOM 0 HB2 SER A 88 1.639 5.741 7.100 1.00 0.00 H new ATOM 0 HB3 SER A 88 0.992 6.025 5.496 1.00 0.00 H new ATOM 0 HG SER A 88 -0.254 7.098 7.147 1.00 0.00 H new ATOM 1381 N VAL A 89 -1.264 2.841 5.263 1.00 0.00 N ATOM 1382 CA VAL A 89 -2.190 2.480 4.149 1.00 0.00 C ATOM 1383 C VAL A 89 -3.359 3.460 4.037 1.00 0.00 C ATOM 1384 O VAL A 89 -3.854 3.983 5.014 1.00 0.00 O ATOM 1385 CB VAL A 89 -2.739 1.076 4.398 1.00 0.00 C ATOM 1386 CG1 VAL A 89 -1.584 0.071 4.419 1.00 0.00 C ATOM 1387 CG2 VAL A 89 -3.463 1.047 5.747 1.00 0.00 C ATOM 0 H VAL A 89 -1.376 2.287 6.112 1.00 0.00 H new ATOM 0 HA VAL A 89 -1.628 2.521 3.216 1.00 0.00 H new ATOM 0 HB VAL A 89 -3.436 0.811 3.603 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.976 -0.930 4.597 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.065 0.093 3.461 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -0.887 0.334 5.215 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -3.856 0.046 5.928 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -2.764 1.311 6.541 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -4.285 1.763 5.734 1.00 0.00 H new ATOM 1397 N ARG A 90 -3.798 3.683 2.825 1.00 0.00 N ATOM 1398 CA ARG A 90 -4.941 4.604 2.555 1.00 0.00 C ATOM 1399 C ARG A 90 -4.993 4.852 1.048 1.00 0.00 C ATOM 1400 O ARG A 90 -4.402 5.786 0.546 1.00 0.00 O ATOM 1401 CB ARG A 90 -4.744 5.937 3.282 1.00 0.00 C ATOM 1402 CG ARG A 90 -5.966 6.825 3.041 1.00 0.00 C ATOM 1403 CD ARG A 90 -5.588 7.973 2.105 1.00 0.00 C ATOM 1404 NE ARG A 90 -5.615 9.258 2.860 1.00 0.00 N ATOM 1405 CZ ARG A 90 -4.957 10.292 2.413 1.00 0.00 C ATOM 1406 NH1 ARG A 90 -5.078 10.653 1.165 1.00 0.00 N ATOM 1407 NH2 ARG A 90 -4.179 10.967 3.215 1.00 0.00 N ATOM 0 H ARG A 90 -3.400 3.253 1.990 1.00 0.00 H new ATOM 0 HA ARG A 90 -5.869 4.156 2.911 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -4.608 5.766 4.350 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -3.842 6.432 2.921 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -6.775 6.238 2.605 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -6.334 7.220 3.988 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -4.595 7.805 1.688 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -6.283 8.017 1.266 1.00 0.00 H new ATOM 0 HE ARG A 90 -6.148 9.329 3.727 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -5.687 10.127 0.539 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -4.563 11.461 0.816 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -4.086 10.686 4.191 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -3.664 11.775 2.866 1.00 0.00 H new ATOM 1421 N LEU A 91 -5.678 4.003 0.329 1.00 0.00 N ATOM 1422 CA LEU A 91 -5.763 4.159 -1.153 1.00 0.00 C ATOM 1423 C LEU A 91 -5.836 5.638 -1.530 1.00 0.00 C ATOM 1424 O LEU A 91 -6.419 6.441 -0.831 1.00 0.00 O ATOM 1425 CB LEU A 91 -7.012 3.442 -1.670 1.00 0.00 C ATOM 1426 CG LEU A 91 -7.134 2.076 -0.994 1.00 0.00 C ATOM 1427 CD1 LEU A 91 -8.301 2.098 -0.004 1.00 0.00 C ATOM 1428 CD2 LEU A 91 -7.387 1.007 -2.057 1.00 0.00 C ATOM 0 H LEU A 91 -6.186 3.203 0.707 1.00 0.00 H new ATOM 0 HA LEU A 91 -4.872 3.723 -1.604 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -7.899 4.041 -1.465 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -6.953 3.320 -2.752 1.00 0.00 H new ATOM 0 HG LEU A 91 -6.211 1.849 -0.460 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -8.388 1.124 0.478 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -8.122 2.862 0.752 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -9.225 2.323 -0.536 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -7.475 0.032 -1.578 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -8.311 1.234 -2.589 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -6.556 0.992 -2.763 1.00 0.00 H new ATOM 1440 N ALA A 92 -5.242 6.001 -2.633 1.00 0.00 N ATOM 1441 CA ALA A 92 -5.272 7.424 -3.065 1.00 0.00 C ATOM 1442 C ALA A 92 -6.382 7.614 -4.097 1.00 0.00 C ATOM 1443 O ALA A 92 -7.227 6.759 -4.279 1.00 0.00 O ATOM 1444 CB ALA A 92 -3.926 7.798 -3.688 1.00 0.00 C ATOM 0 H ALA A 92 -4.736 5.370 -3.255 1.00 0.00 H new ATOM 0 HA ALA A 92 -5.461 8.064 -2.203 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -3.949 8.841 -4.004 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -3.134 7.659 -2.953 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -3.735 7.161 -4.552 1.00 0.00 H new ATOM 1450 N GLU A 93 -6.390 8.726 -4.780 1.00 0.00 N ATOM 1451 CA GLU A 93 -7.447 8.960 -5.802 1.00 0.00 C ATOM 1452 C GLU A 93 -6.799 9.449 -7.098 1.00 0.00 C ATOM 1453 O GLU A 93 -6.912 10.602 -7.463 1.00 0.00 O ATOM 1454 CB GLU A 93 -8.430 10.014 -5.289 1.00 0.00 C ATOM 1455 CG GLU A 93 -9.861 9.497 -5.448 1.00 0.00 C ATOM 1456 CD GLU A 93 -10.658 9.797 -4.177 1.00 0.00 C ATOM 1457 OE1 GLU A 93 -10.167 9.482 -3.105 1.00 0.00 O ATOM 1458 OE2 GLU A 93 -11.745 10.336 -4.298 1.00 0.00 O ATOM 0 H GLU A 93 -5.712 9.480 -4.674 1.00 0.00 H new ATOM 0 HA GLU A 93 -7.983 8.030 -5.992 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -8.227 10.237 -4.242 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -8.304 10.944 -5.843 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -10.336 9.970 -6.308 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -9.852 8.424 -5.639 1.00 0.00 H new ATOM 1465 N GLU A 94 -6.119 8.579 -7.795 1.00 0.00 N ATOM 1466 CA GLU A 94 -5.463 8.990 -9.068 1.00 0.00 C ATOM 1467 C GLU A 94 -4.689 7.807 -9.649 1.00 0.00 C ATOM 1468 O GLU A 94 -5.133 7.153 -10.572 1.00 0.00 O ATOM 1469 CB GLU A 94 -4.495 10.144 -8.799 1.00 0.00 C ATOM 1470 CG GLU A 94 -4.807 11.301 -9.749 1.00 0.00 C ATOM 1471 CD GLU A 94 -3.565 11.635 -10.576 1.00 0.00 C ATOM 1472 OE1 GLU A 94 -2.771 12.441 -10.118 1.00 0.00 O ATOM 1473 OE2 GLU A 94 -3.425 11.078 -11.652 1.00 0.00 O ATOM 0 H GLU A 94 -5.990 7.601 -7.537 1.00 0.00 H new ATOM 0 HA GLU A 94 -6.225 9.313 -9.777 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -4.584 10.474 -7.764 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -3.467 9.811 -8.939 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -5.633 11.032 -10.407 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -5.124 12.176 -9.181 1.00 0.00 H new ATOM 1480 N HIS A 95 -3.535 7.528 -9.114 1.00 0.00 N ATOM 1481 CA HIS A 95 -2.732 6.387 -9.635 1.00 0.00 C ATOM 1482 C HIS A 95 -3.555 5.103 -9.530 1.00 0.00 C ATOM 1483 O HIS A 95 -4.420 4.977 -8.687 1.00 0.00 O ATOM 1484 CB HIS A 95 -1.452 6.239 -8.809 1.00 0.00 C ATOM 1485 CG HIS A 95 -0.832 7.592 -8.591 1.00 0.00 C ATOM 1486 ND1 HIS A 95 -0.909 8.252 -7.375 1.00 0.00 N ATOM 1487 CD2 HIS A 95 -0.116 8.419 -9.422 1.00 0.00 C ATOM 1488 CE1 HIS A 95 -0.256 9.422 -7.506 1.00 0.00 C ATOM 1489 NE2 HIS A 95 0.246 9.573 -8.735 1.00 0.00 N ATOM 0 H HIS A 95 -3.113 8.040 -8.339 1.00 0.00 H new ATOM 0 HA HIS A 95 -2.470 6.572 -10.677 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -1.678 5.773 -7.850 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -0.749 5.584 -9.324 1.00 0.00 H new ATOM 0 HD2 HIS A 95 0.129 8.206 -10.452 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -0.151 10.149 -6.715 1.00 0.00 H new ATOM 0 HE2 HIS A 95 0.780 10.365 -9.093 1.00 0.00 H new ATOM 1497 N GLY A 96 -3.294 4.149 -10.380 1.00 0.00 N ATOM 1498 CA GLY A 96 -4.065 2.875 -10.323 1.00 0.00 C ATOM 1499 C GLY A 96 -3.100 1.690 -10.343 1.00 0.00 C ATOM 1500 O GLY A 96 -2.306 1.510 -9.442 1.00 0.00 O ATOM 0 H GLY A 96 -2.583 4.196 -11.110 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -4.673 2.846 -9.419 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -4.749 2.814 -11.169 1.00 0.00 H new ATOM 1504 N LYS A 97 -3.164 0.875 -11.360 1.00 0.00 N ATOM 1505 CA LYS A 97 -2.249 -0.299 -11.423 1.00 0.00 C ATOM 1506 C LYS A 97 -1.187 -0.069 -12.501 1.00 0.00 C ATOM 1507 O LYS A 97 -0.675 1.037 -12.575 1.00 0.00 O ATOM 1508 CB LYS A 97 -3.057 -1.562 -11.744 1.00 0.00 C ATOM 1509 CG LYS A 97 -3.413 -1.593 -13.235 1.00 0.00 C ATOM 1510 CD LYS A 97 -4.931 -1.712 -13.393 1.00 0.00 C ATOM 1511 CE LYS A 97 -5.455 -0.523 -14.203 1.00 0.00 C ATOM 1512 NZ LYS A 97 -6.111 -1.016 -15.448 1.00 0.00 N ATOM 1513 OXT LYS A 97 -0.903 -1.002 -13.234 1.00 0.00 O ATOM 0 H LYS A 97 -3.807 0.970 -12.146 1.00 0.00 H new ATOM 0 HA LYS A 97 -1.755 -0.426 -10.460 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -2.481 -2.449 -11.481 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -3.967 -1.584 -11.144 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -3.055 -0.687 -13.724 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -2.919 -2.434 -13.721 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -5.183 -2.646 -13.894 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -5.408 -1.737 -12.413 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -6.166 0.050 -13.608 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -4.634 0.149 -14.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -6.466 -0.207 -15.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -5.420 -1.545 -16.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -6.904 -1.640 -15.198 1.00 0.00 H new