USER MOD reduce.3.24.130724 H: found=0, std=0, add=658, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 659 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 61 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= -0.29 X(o=-0.29,f=-0.11) USER MOD Single : A 22 LYS NZ :NH3+ -156:sc= -0.189 (180deg=-0.823) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= -0.324 K(o=-0.32,f=-1) USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=-0.0085) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= -3.47! K(o=-3.5!,f=-1.4) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.199 USER MOD Single : A 55 LYS NZ :NH3+ -167:sc= -0.727 (180deg=-0.934) USER MOD Single : A 60 HIS : no HD1:sc= -1.17 X(o=-1.2,f=-1.2) USER MOD Single : A 63 LYS NZ :NH3+ 160:sc= -0.0822 (180deg=-0.556) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc=-0.00686 X(o=-0.0069,f=-0.0069) USER MOD Single : A 74 MET CE :methyl 180:sc= -0.0212 (180deg=-0.0212) USER MOD Single : A 76 SER OG : rot 180:sc= -0.536 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ -162:sc= -0.108 (180deg=-0.618) USER MOD Single : A 87 LYS NZ :NH3+ 164:sc= -0.0202 (180deg=-0.437) USER MOD ----------------------------------------------------------------- ATOM 141 N ILE A 9 0.254 4.564 3.152 1.00 1.00 N ATOM 142 CA ILE A 9 1.109 3.999 2.103 1.00 1.00 C ATOM 143 C ILE A 9 1.200 4.989 0.935 1.00 1.00 C ATOM 144 O ILE A 9 0.349 5.853 0.730 1.00 1.00 O ATOM 145 CB ILE A 9 0.528 2.626 1.639 1.00 1.00 C ATOM 146 CG1 ILE A 9 0.504 1.627 2.850 1.00 1.00 C ATOM 147 CG2 ILE A 9 1.373 2.032 0.469 1.00 1.00 C ATOM 148 CD1 ILE A 9 -0.299 0.357 2.500 1.00 1.00 C ATOM 0 HA ILE A 9 2.114 3.829 2.488 1.00 1.00 H new ATOM 0 HB ILE A 9 -0.489 2.782 1.278 1.00 1.00 H new ATOM 0 HG12 ILE A 9 1.524 1.354 3.122 1.00 1.00 H new ATOM 0 HG13 ILE A 9 0.062 2.114 3.719 1.00 1.00 H new ATOM 0 HG21 ILE A 9 0.949 1.076 0.163 1.00 1.00 H new ATOM 0 HG22 ILE A 9 1.361 2.721 -0.375 1.00 1.00 H new ATOM 0 HG23 ILE A 9 2.401 1.884 0.801 1.00 1.00 H new ATOM 0 HD11 ILE A 9 -0.301 -0.319 3.355 1.00 1.00 H new ATOM 0 HD12 ILE A 9 -1.324 0.632 2.252 1.00 1.00 H new ATOM 0 HD13 ILE A 9 0.160 -0.140 1.645 1.00 1.00 H new ATOM 160 N VAL A 10 2.259 4.830 0.149 1.00 1.00 N ATOM 161 CA VAL A 10 2.500 5.708 -1.024 1.00 1.00 C ATOM 162 C VAL A 10 2.086 4.987 -2.301 1.00 1.00 C ATOM 163 O VAL A 10 2.363 3.799 -2.482 1.00 1.00 O ATOM 164 CB VAL A 10 4.001 6.124 -1.101 1.00 1.00 C ATOM 165 CG1 VAL A 10 4.224 7.169 -2.230 1.00 1.00 C ATOM 166 CG2 VAL A 10 4.432 6.739 0.254 1.00 1.00 C ATOM 0 H VAL A 10 2.968 4.111 0.289 1.00 1.00 H new ATOM 0 HA VAL A 10 1.901 6.612 -0.914 1.00 1.00 H new ATOM 0 HB VAL A 10 4.598 5.238 -1.319 1.00 1.00 H new ATOM 0 HG11 VAL A 10 5.278 7.446 -2.267 1.00 1.00 H new ATOM 0 HG12 VAL A 10 3.928 6.739 -3.187 1.00 1.00 H new ATOM 0 HG13 VAL A 10 3.623 8.056 -2.029 1.00 1.00 H new ATOM 0 HG21 VAL A 10 5.481 7.031 0.204 1.00 1.00 H new ATOM 0 HG22 VAL A 10 3.821 7.616 0.466 1.00 1.00 H new ATOM 0 HG23 VAL A 10 4.298 6.003 1.047 1.00 1.00 H new ATOM 176 N LEU A 11 1.432 5.701 -3.208 1.00 1.00 N ATOM 177 CA LEU A 11 0.989 5.091 -4.483 1.00 1.00 C ATOM 178 C LEU A 11 1.974 5.470 -5.606 1.00 1.00 C ATOM 179 O LEU A 11 2.151 6.638 -5.953 1.00 1.00 O ATOM 180 CB LEU A 11 -0.477 5.536 -4.813 1.00 1.00 C ATOM 181 CG LEU A 11 -1.254 4.484 -5.701 1.00 1.00 C ATOM 182 CD1 LEU A 11 -0.400 3.982 -6.900 1.00 1.00 C ATOM 183 CD2 LEU A 11 -1.742 3.273 -4.867 1.00 1.00 C ATOM 0 H LEU A 11 1.193 6.687 -3.101 1.00 1.00 H new ATOM 0 HA LEU A 11 0.986 4.005 -4.392 1.00 1.00 H new ATOM 0 HB2 LEU A 11 -1.022 5.691 -3.882 1.00 1.00 H new ATOM 0 HB3 LEU A 11 -0.452 6.494 -5.332 1.00 1.00 H new ATOM 0 HG LEU A 11 -2.123 5.010 -6.095 1.00 1.00 H new ATOM 0 HD11 LEU A 11 -0.976 3.261 -7.481 1.00 1.00 H new ATOM 0 HD12 LEU A 11 -0.131 4.827 -7.534 1.00 1.00 H new ATOM 0 HD13 LEU A 11 0.507 3.505 -6.527 1.00 1.00 H new ATOM 0 HD21 LEU A 11 -2.271 2.574 -5.515 1.00 1.00 H new ATOM 0 HD22 LEU A 11 -0.885 2.772 -4.416 1.00 1.00 H new ATOM 0 HD23 LEU A 11 -2.414 3.619 -4.082 1.00 1.00 H new ATOM 195 N ARG A 12 2.605 4.454 -6.186 1.00 1.00 N ATOM 196 CA ARG A 12 3.581 4.646 -7.287 1.00 1.00 C ATOM 197 C ARG A 12 2.960 4.230 -8.617 1.00 1.00 C ATOM 198 O ARG A 12 2.055 3.399 -8.675 1.00 1.00 O ATOM 199 CB ARG A 12 4.861 3.822 -7.009 1.00 1.00 C ATOM 200 CG ARG A 12 6.008 4.223 -7.974 1.00 1.00 C ATOM 201 CD ARG A 12 7.272 3.406 -7.671 1.00 1.00 C ATOM 202 NE ARG A 12 7.016 1.984 -7.921 1.00 1.00 N ATOM 203 CZ ARG A 12 7.926 1.038 -7.663 1.00 1.00 C ATOM 204 NH1 ARG A 12 9.093 1.354 -7.168 1.00 1.00 N ATOM 205 NH2 ARG A 12 7.645 -0.210 -7.912 1.00 1.00 N ATOM 0 H ARG A 12 2.466 3.479 -5.920 1.00 1.00 H new ATOM 0 HA ARG A 12 3.849 5.701 -7.343 1.00 1.00 H new ATOM 0 HB2 ARG A 12 5.179 3.976 -5.978 1.00 1.00 H new ATOM 0 HB3 ARG A 12 4.644 2.760 -7.120 1.00 1.00 H new ATOM 0 HG2 ARG A 12 5.699 4.057 -9.006 1.00 1.00 H new ATOM 0 HG3 ARG A 12 6.222 5.287 -7.873 1.00 1.00 H new ATOM 0 HD2 ARG A 12 8.097 3.751 -8.294 1.00 1.00 H new ATOM 0 HD3 ARG A 12 7.572 3.554 -6.634 1.00 1.00 H new ATOM 0 HE ARG A 12 6.113 1.706 -8.305 1.00 1.00 H new ATOM 0 HH11 ARG A 12 9.318 2.330 -6.974 1.00 1.00 H new ATOM 0 HH12 ARG A 12 9.780 0.625 -6.975 1.00 1.00 H new ATOM 0 HH21 ARG A 12 6.736 -0.460 -8.301 1.00 1.00 H new ATOM 0 HH22 ARG A 12 8.334 -0.936 -7.718 1.00 1.00 H new ATOM 219 N ASN A 13 3.444 4.833 -9.699 1.00 1.00 N ATOM 220 CA ASN A 13 2.943 4.534 -11.039 1.00 1.00 C ATOM 221 C ASN A 13 1.439 4.819 -11.121 1.00 1.00 C ATOM 222 O ASN A 13 0.659 4.010 -11.624 1.00 1.00 O ATOM 223 CB ASN A 13 3.237 3.063 -11.419 1.00 1.00 C ATOM 224 CG ASN A 13 4.716 2.739 -11.228 1.00 1.00 C ATOM 225 OD1 ASN A 13 5.054 1.673 -10.712 1.00 1.00 O ATOM 226 ND2 ASN A 13 5.622 3.591 -11.622 1.00 1.00 N ATOM 0 H ASN A 13 4.185 5.534 -9.675 1.00 1.00 H new ATOM 0 HA ASN A 13 3.459 5.179 -11.750 1.00 1.00 H new ATOM 0 HB2 ASN A 13 2.632 2.396 -10.805 1.00 1.00 H new ATOM 0 HB3 ASN A 13 2.953 2.887 -12.456 1.00 1.00 H new ATOM 0 HD21 ASN A 13 6.612 3.375 -11.503 1.00 1.00 H new ATOM 0 HD22 ASN A 13 5.341 4.473 -12.049 1.00 1.00 H new ATOM 233 N LEU A 14 1.041 5.988 -10.632 1.00 1.00 N ATOM 234 CA LEU A 14 -0.409 6.369 -10.650 1.00 1.00 C ATOM 235 C LEU A 14 -0.877 6.753 -12.095 1.00 1.00 C ATOM 236 O LEU A 14 -0.554 7.847 -12.554 1.00 1.00 O ATOM 237 CB LEU A 14 -0.658 7.561 -9.671 1.00 1.00 C ATOM 238 CG LEU A 14 -2.171 7.731 -9.229 1.00 1.00 C ATOM 239 CD1 LEU A 14 -3.085 8.133 -10.411 1.00 1.00 C ATOM 240 CD2 LEU A 14 -2.724 6.453 -8.529 1.00 1.00 C ATOM 0 H LEU A 14 1.664 6.686 -10.225 1.00 1.00 H new ATOM 0 HA LEU A 14 -0.991 5.507 -10.325 1.00 1.00 H new ATOM 0 HB2 LEU A 14 -0.044 7.420 -8.781 1.00 1.00 H new ATOM 0 HB3 LEU A 14 -0.324 8.483 -10.146 1.00 1.00 H new ATOM 0 HG LEU A 14 -2.182 8.545 -8.505 1.00 1.00 H new ATOM 0 HD11 LEU A 14 -4.111 8.237 -10.058 1.00 1.00 H new ATOM 0 HD12 LEU A 14 -2.746 9.082 -10.827 1.00 1.00 H new ATOM 0 HD13 LEU A 14 -3.043 7.363 -11.182 1.00 1.00 H new ATOM 0 HD21 LEU A 14 -3.763 6.615 -8.244 1.00 1.00 H new ATOM 0 HD22 LEU A 14 -2.664 5.608 -9.215 1.00 1.00 H new ATOM 0 HD23 LEU A 14 -2.132 6.241 -7.639 1.00 1.00 H new ATOM 252 N PRO A 15 -1.642 5.928 -12.756 1.00 1.00 N ATOM 253 CA PRO A 15 -2.126 6.297 -14.153 1.00 1.00 C ATOM 254 C PRO A 15 -2.591 7.776 -14.259 1.00 1.00 C ATOM 255 O PRO A 15 -3.173 8.324 -13.323 1.00 1.00 O ATOM 256 CB PRO A 15 -3.306 5.345 -14.376 1.00 1.00 C ATOM 257 CG PRO A 15 -2.923 4.101 -13.629 1.00 1.00 C ATOM 258 CD PRO A 15 -2.188 4.597 -12.365 1.00 1.00 C ATOM 0 HA PRO A 15 -1.333 6.204 -14.895 1.00 1.00 H new ATOM 0 HB2 PRO A 15 -4.236 5.768 -13.995 1.00 1.00 H new ATOM 0 HB3 PRO A 15 -3.459 5.142 -15.436 1.00 1.00 H new ATOM 0 HG2 PRO A 15 -3.802 3.512 -13.368 1.00 1.00 H new ATOM 0 HG3 PRO A 15 -2.279 3.461 -14.233 1.00 1.00 H new ATOM 0 HD2 PRO A 15 -2.867 4.679 -11.516 1.00 1.00 H new ATOM 0 HD3 PRO A 15 -1.393 3.911 -12.072 1.00 1.00 H new ATOM 266 N GLU A 16 -2.318 8.432 -15.383 1.00 1.00 N ATOM 267 CA GLU A 16 -2.699 9.848 -15.583 1.00 1.00 C ATOM 268 C GLU A 16 -4.176 9.995 -15.960 1.00 1.00 C ATOM 269 O GLU A 16 -4.814 11.006 -15.664 1.00 1.00 O ATOM 270 CB GLU A 16 -1.787 10.480 -16.666 1.00 1.00 C ATOM 271 CG GLU A 16 -1.891 9.696 -17.992 1.00 1.00 C ATOM 272 CD GLU A 16 -0.960 10.306 -19.042 1.00 1.00 C ATOM 273 OE1 GLU A 16 0.126 10.723 -18.672 1.00 1.00 O ATOM 274 OE2 GLU A 16 -1.348 10.346 -20.197 1.00 1.00 O ATOM 0 H GLU A 16 -1.834 8.014 -16.178 1.00 1.00 H new ATOM 0 HA GLU A 16 -2.561 10.376 -14.640 1.00 1.00 H new ATOM 0 HB2 GLU A 16 -2.073 11.519 -16.829 1.00 1.00 H new ATOM 0 HB3 GLU A 16 -0.753 10.485 -16.321 1.00 1.00 H new ATOM 0 HG2 GLU A 16 -1.629 8.651 -17.826 1.00 1.00 H new ATOM 0 HG3 GLU A 16 -2.919 9.713 -18.353 1.00 1.00 H new ATOM 281 N ASP A 17 -4.716 8.989 -16.640 1.00 1.00 N ATOM 282 CA ASP A 17 -6.124 9.015 -17.095 1.00 1.00 C ATOM 283 C ASP A 17 -7.064 8.386 -16.063 1.00 1.00 C ATOM 284 O ASP A 17 -8.284 8.434 -16.210 1.00 1.00 O ATOM 285 CB ASP A 17 -6.218 8.243 -18.421 1.00 1.00 C ATOM 286 CG ASP A 17 -5.326 8.904 -19.472 1.00 1.00 C ATOM 287 OD1 ASP A 17 -5.270 10.123 -19.494 1.00 1.00 O ATOM 288 OD2 ASP A 17 -4.703 8.180 -20.233 1.00 1.00 O ATOM 0 H ASP A 17 -4.210 8.141 -16.894 1.00 1.00 H new ATOM 0 HA ASP A 17 -6.432 10.052 -17.228 1.00 1.00 H new ATOM 0 HB2 ASP A 17 -5.913 7.207 -18.271 1.00 1.00 H new ATOM 0 HB3 ASP A 17 -7.251 8.224 -18.768 1.00 1.00 H new ATOM 293 N LEU A 18 -6.501 7.795 -15.013 1.00 1.00 N ATOM 294 CA LEU A 18 -7.315 7.139 -13.945 1.00 1.00 C ATOM 295 C LEU A 18 -6.968 7.779 -12.590 1.00 1.00 C ATOM 296 O LEU A 18 -5.860 8.268 -12.375 1.00 1.00 O ATOM 297 CB LEU A 18 -7.088 5.579 -13.915 1.00 1.00 C ATOM 298 CG LEU A 18 -7.043 4.979 -15.369 1.00 1.00 C ATOM 299 CD1 LEU A 18 -6.565 3.506 -15.346 1.00 1.00 C ATOM 300 CD2 LEU A 18 -8.440 5.064 -16.043 1.00 1.00 C ATOM 0 H LEU A 18 -5.493 7.747 -14.862 1.00 1.00 H new ATOM 0 HA LEU A 18 -8.372 7.294 -14.159 1.00 1.00 H new ATOM 0 HB2 LEU A 18 -6.155 5.355 -13.398 1.00 1.00 H new ATOM 0 HB3 LEU A 18 -7.888 5.104 -13.348 1.00 1.00 H new ATOM 0 HG LEU A 18 -6.333 5.570 -15.948 1.00 1.00 H new ATOM 0 HD11 LEU A 18 -6.543 3.115 -16.363 1.00 1.00 H new ATOM 0 HD12 LEU A 18 -5.565 3.455 -14.916 1.00 1.00 H new ATOM 0 HD13 LEU A 18 -7.250 2.910 -14.743 1.00 1.00 H new ATOM 0 HD21 LEU A 18 -8.386 4.644 -17.047 1.00 1.00 H new ATOM 0 HD22 LEU A 18 -9.164 4.502 -15.453 1.00 1.00 H new ATOM 0 HD23 LEU A 18 -8.752 6.107 -16.103 1.00 1.00 H new ATOM 312 N VAL A 19 -7.924 7.772 -11.668 1.00 1.00 N ATOM 313 CA VAL A 19 -7.713 8.372 -10.317 1.00 1.00 C ATOM 314 C VAL A 19 -8.445 7.572 -9.243 1.00 1.00 C ATOM 315 O VAL A 19 -9.359 6.797 -9.527 1.00 1.00 O ATOM 316 CB VAL A 19 -8.197 9.860 -10.284 1.00 1.00 C ATOM 317 CG1 VAL A 19 -7.453 10.690 -11.365 1.00 1.00 C ATOM 318 CG2 VAL A 19 -9.741 9.946 -10.504 1.00 1.00 C ATOM 0 H VAL A 19 -8.849 7.367 -11.810 1.00 1.00 H new ATOM 0 HA VAL A 19 -6.643 8.344 -10.110 1.00 1.00 H new ATOM 0 HB VAL A 19 -7.968 10.273 -9.302 1.00 1.00 H new ATOM 0 HG11 VAL A 19 -7.798 11.723 -11.332 1.00 1.00 H new ATOM 0 HG12 VAL A 19 -6.381 10.660 -11.173 1.00 1.00 H new ATOM 0 HG13 VAL A 19 -7.657 10.271 -12.350 1.00 1.00 H new ATOM 0 HG21 VAL A 19 -10.055 10.990 -10.477 1.00 1.00 H new ATOM 0 HG22 VAL A 19 -9.995 9.516 -11.473 1.00 1.00 H new ATOM 0 HG23 VAL A 19 -10.252 9.393 -9.716 1.00 1.00 H new ATOM 328 N LEU A 20 -8.042 7.784 -7.995 1.00 1.00 N ATOM 329 CA LEU A 20 -8.647 7.100 -6.834 1.00 1.00 C ATOM 330 C LEU A 20 -9.838 7.932 -6.315 1.00 1.00 C ATOM 331 O LEU A 20 -9.677 9.086 -5.919 1.00 1.00 O ATOM 332 CB LEU A 20 -7.545 6.915 -5.706 1.00 1.00 C ATOM 333 CG LEU A 20 -7.309 5.406 -5.367 1.00 1.00 C ATOM 334 CD1 LEU A 20 -6.146 5.276 -4.357 1.00 1.00 C ATOM 335 CD2 LEU A 20 -8.620 4.745 -4.812 1.00 1.00 C ATOM 0 H LEU A 20 -7.291 8.429 -7.749 1.00 1.00 H new ATOM 0 HA LEU A 20 -9.015 6.116 -7.124 1.00 1.00 H new ATOM 0 HB2 LEU A 20 -6.608 7.364 -6.036 1.00 1.00 H new ATOM 0 HB3 LEU A 20 -7.854 7.446 -4.806 1.00 1.00 H new ATOM 0 HG LEU A 20 -7.039 4.875 -6.280 1.00 1.00 H new ATOM 0 HD11 LEU A 20 -5.984 4.224 -4.122 1.00 1.00 H new ATOM 0 HD12 LEU A 20 -5.238 5.695 -4.791 1.00 1.00 H new ATOM 0 HD13 LEU A 20 -6.395 5.817 -3.444 1.00 1.00 H new ATOM 0 HD21 LEU A 20 -8.430 3.696 -4.584 1.00 1.00 H new ATOM 0 HD22 LEU A 20 -8.933 5.263 -3.905 1.00 1.00 H new ATOM 0 HD23 LEU A 20 -9.409 4.816 -5.561 1.00 1.00 H new ATOM 347 N GLU A 21 -11.026 7.338 -6.300 1.00 1.00 N ATOM 348 CA GLU A 21 -12.247 8.020 -5.832 1.00 1.00 C ATOM 349 C GLU A 21 -12.292 8.080 -4.298 1.00 1.00 C ATOM 350 O GLU A 21 -13.092 8.809 -3.711 1.00 1.00 O ATOM 351 CB GLU A 21 -13.491 7.275 -6.384 1.00 1.00 C ATOM 352 CG GLU A 21 -13.488 5.794 -5.939 1.00 1.00 C ATOM 353 CD GLU A 21 -14.729 5.073 -6.482 1.00 1.00 C ATOM 354 OE1 GLU A 21 -15.817 5.601 -6.313 1.00 1.00 O ATOM 355 OE2 GLU A 21 -14.573 4.008 -7.056 1.00 1.00 O ATOM 0 H GLU A 21 -11.179 6.378 -6.608 1.00 1.00 H new ATOM 0 HA GLU A 21 -12.243 9.045 -6.202 1.00 1.00 H new ATOM 0 HB2 GLU A 21 -14.399 7.763 -6.031 1.00 1.00 H new ATOM 0 HB3 GLU A 21 -13.501 7.332 -7.472 1.00 1.00 H new ATOM 0 HG2 GLU A 21 -12.585 5.301 -6.299 1.00 1.00 H new ATOM 0 HG3 GLU A 21 -13.471 5.734 -4.851 1.00 1.00 H new ATOM 362 N LYS A 22 -11.439 7.298 -3.647 1.00 1.00 N ATOM 363 CA LYS A 22 -11.407 7.275 -2.157 1.00 1.00 C ATOM 364 C LYS A 22 -10.001 6.878 -1.630 1.00 1.00 C ATOM 365 O LYS A 22 -9.471 5.873 -2.101 1.00 1.00 O ATOM 366 CB LYS A 22 -12.472 6.263 -1.656 1.00 1.00 C ATOM 367 CG LYS A 22 -12.657 6.362 -0.117 1.00 1.00 C ATOM 368 CD LYS A 22 -13.719 5.337 0.407 1.00 1.00 C ATOM 369 CE LYS A 22 -15.167 5.842 0.196 1.00 1.00 C ATOM 370 NZ LYS A 22 -15.356 7.147 0.893 1.00 1.00 N ATOM 0 H LYS A 22 -10.767 6.678 -4.099 1.00 1.00 H new ATOM 0 HA LYS A 22 -11.628 8.273 -1.779 1.00 1.00 H new ATOM 0 HB2 LYS A 22 -13.423 6.455 -2.153 1.00 1.00 H new ATOM 0 HB3 LYS A 22 -12.171 5.250 -1.925 1.00 1.00 H new ATOM 0 HG2 LYS A 22 -11.702 6.181 0.377 1.00 1.00 H new ATOM 0 HG3 LYS A 22 -12.966 7.373 0.148 1.00 1.00 H new ATOM 0 HD2 LYS A 22 -13.589 4.385 -0.108 1.00 1.00 H new ATOM 0 HD3 LYS A 22 -13.551 5.151 1.468 1.00 1.00 H new ATOM 0 HE2 LYS A 22 -15.370 5.956 -0.869 1.00 1.00 H new ATOM 0 HE3 LYS A 22 -15.877 5.109 0.579 1.00 1.00 H new ATOM 0 HZ1 LYS A 22 -16.365 7.285 1.104 1.00 1.00 H new ATOM 0 HZ2 LYS A 22 -14.814 7.148 1.780 1.00 1.00 H new ATOM 0 HZ3 LYS A 22 -15.021 7.919 0.282 1.00 1.00 H new ATOM 384 N PRO A 23 -9.413 7.587 -0.705 1.00 1.00 N ATOM 385 CA PRO A 23 -8.047 7.196 -0.206 1.00 1.00 C ATOM 386 C PRO A 23 -8.038 5.787 0.427 1.00 1.00 C ATOM 387 O PRO A 23 -9.044 5.269 0.911 1.00 1.00 O ATOM 388 CB PRO A 23 -7.684 8.319 0.816 1.00 1.00 C ATOM 389 CG PRO A 23 -9.013 8.827 1.280 1.00 1.00 C ATOM 390 CD PRO A 23 -9.888 8.817 0.012 1.00 1.00 C ATOM 0 HA PRO A 23 -7.314 7.123 -1.009 1.00 1.00 H new ATOM 0 HB2 PRO A 23 -7.094 7.929 1.645 1.00 1.00 H new ATOM 0 HB3 PRO A 23 -7.095 9.109 0.349 1.00 1.00 H new ATOM 0 HG2 PRO A 23 -9.433 8.190 2.058 1.00 1.00 H new ATOM 0 HG3 PRO A 23 -8.931 9.830 1.699 1.00 1.00 H new ATOM 0 HD2 PRO A 23 -10.950 8.761 0.253 1.00 1.00 H new ATOM 0 HD3 PRO A 23 -9.744 9.716 -0.587 1.00 1.00 H new ATOM 398 N LEU A 24 -6.855 5.184 0.423 1.00 1.00 N ATOM 399 CA LEU A 24 -6.648 3.819 0.968 1.00 1.00 C ATOM 400 C LEU A 24 -7.431 3.583 2.308 1.00 1.00 C ATOM 401 O LEU A 24 -7.673 4.540 3.041 1.00 1.00 O ATOM 402 CB LEU A 24 -5.117 3.586 1.172 1.00 1.00 C ATOM 403 CG LEU A 24 -4.408 3.169 -0.160 1.00 1.00 C ATOM 404 CD1 LEU A 24 -4.603 4.241 -1.256 1.00 1.00 C ATOM 405 CD2 LEU A 24 -2.905 2.965 0.108 1.00 1.00 C ATOM 0 H LEU A 24 -6.008 5.612 0.048 1.00 1.00 H new ATOM 0 HA LEU A 24 -7.045 3.099 0.252 1.00 1.00 H new ATOM 0 HB2 LEU A 24 -4.659 4.497 1.557 1.00 1.00 H new ATOM 0 HB3 LEU A 24 -4.965 2.811 1.923 1.00 1.00 H new ATOM 0 HG LEU A 24 -4.854 2.240 -0.515 1.00 1.00 H new ATOM 0 HD11 LEU A 24 -4.100 3.924 -2.169 1.00 1.00 H new ATOM 0 HD12 LEU A 24 -5.667 4.369 -1.454 1.00 1.00 H new ATOM 0 HD13 LEU A 24 -4.180 5.187 -0.919 1.00 1.00 H new ATOM 0 HD21 LEU A 24 -2.407 2.674 -0.817 1.00 1.00 H new ATOM 0 HD22 LEU A 24 -2.472 3.895 0.477 1.00 1.00 H new ATOM 0 HD23 LEU A 24 -2.771 2.181 0.854 1.00 1.00 H new ATOM 417 N PRO A 25 -7.825 2.375 2.610 1.00 1.00 N ATOM 418 CA PRO A 25 -8.601 2.085 3.878 1.00 1.00 C ATOM 419 C PRO A 25 -7.748 2.226 5.144 1.00 1.00 C ATOM 420 O PRO A 25 -8.260 2.543 6.217 1.00 1.00 O ATOM 421 CB PRO A 25 -9.088 0.622 3.668 1.00 1.00 C ATOM 422 CG PRO A 25 -7.989 0.015 2.849 1.00 1.00 C ATOM 423 CD PRO A 25 -7.616 1.116 1.835 1.00 1.00 C ATOM 0 HA PRO A 25 -9.415 2.792 4.036 1.00 1.00 H new ATOM 0 HB2 PRO A 25 -9.220 0.101 4.616 1.00 1.00 H new ATOM 0 HB3 PRO A 25 -10.046 0.586 3.148 1.00 1.00 H new ATOM 0 HG2 PRO A 25 -7.136 -0.260 3.469 1.00 1.00 H new ATOM 0 HG3 PRO A 25 -8.323 -0.893 2.346 1.00 1.00 H new ATOM 0 HD2 PRO A 25 -6.585 1.018 1.495 1.00 1.00 H new ATOM 0 HD3 PRO A 25 -8.249 1.079 0.948 1.00 1.00 H new ATOM 431 N GLU A 26 -6.451 1.963 5.021 1.00 1.00 N ATOM 432 CA GLU A 26 -5.506 2.037 6.154 1.00 1.00 C ATOM 433 C GLU A 26 -5.918 1.062 7.277 1.00 1.00 C ATOM 434 O GLU A 26 -7.076 1.036 7.694 1.00 1.00 O ATOM 435 CB GLU A 26 -5.417 3.494 6.689 1.00 1.00 C ATOM 436 CG GLU A 26 -4.283 3.626 7.736 1.00 1.00 C ATOM 437 CD GLU A 26 -4.188 5.067 8.244 1.00 1.00 C ATOM 438 OE1 GLU A 26 -5.223 5.624 8.577 1.00 1.00 O ATOM 439 OE2 GLU A 26 -3.086 5.592 8.295 1.00 1.00 O ATOM 0 H GLU A 26 -6.016 1.692 4.139 1.00 1.00 H new ATOM 0 HA GLU A 26 -4.519 1.740 5.800 1.00 1.00 H new ATOM 0 HB2 GLU A 26 -5.236 4.180 5.861 1.00 1.00 H new ATOM 0 HB3 GLU A 26 -6.368 3.780 7.138 1.00 1.00 H new ATOM 0 HG2 GLU A 26 -4.471 2.951 8.571 1.00 1.00 H new ATOM 0 HG3 GLU A 26 -3.333 3.327 7.292 1.00 1.00 H new ATOM 446 N VAL A 27 -4.973 0.263 7.759 1.00 1.00 N ATOM 447 CA VAL A 27 -5.235 -0.713 8.822 1.00 1.00 C ATOM 448 C VAL A 27 -3.949 -1.023 9.587 1.00 1.00 C ATOM 449 O VAL A 27 -2.854 -0.592 9.226 1.00 1.00 O ATOM 450 CB VAL A 27 -5.857 -1.988 8.189 1.00 1.00 C ATOM 451 CG1 VAL A 27 -4.881 -2.615 7.169 1.00 1.00 C ATOM 452 CG2 VAL A 27 -6.239 -3.042 9.276 1.00 1.00 C ATOM 0 H VAL A 27 -4.008 0.269 7.430 1.00 1.00 H new ATOM 0 HA VAL A 27 -5.943 -0.304 9.543 1.00 1.00 H new ATOM 0 HB VAL A 27 -6.770 -1.687 7.675 1.00 1.00 H new ATOM 0 HG11 VAL A 27 -5.332 -3.507 6.735 1.00 1.00 H new ATOM 0 HG12 VAL A 27 -4.668 -1.895 6.379 1.00 1.00 H new ATOM 0 HG13 VAL A 27 -3.953 -2.886 7.673 1.00 1.00 H new ATOM 0 HG21 VAL A 27 -6.671 -3.920 8.796 1.00 1.00 H new ATOM 0 HG22 VAL A 27 -5.346 -3.334 9.830 1.00 1.00 H new ATOM 0 HG23 VAL A 27 -6.967 -2.609 9.963 1.00 1.00 H new ATOM 462 N SER A 28 -4.081 -1.777 10.674 1.00 1.00 N ATOM 463 CA SER A 28 -2.930 -2.136 11.509 1.00 1.00 C ATOM 464 C SER A 28 -2.178 -3.334 10.902 1.00 1.00 C ATOM 465 O SER A 28 -2.620 -3.977 9.951 1.00 1.00 O ATOM 466 CB SER A 28 -3.428 -2.490 12.920 1.00 1.00 C ATOM 467 OG SER A 28 -4.099 -1.358 13.468 1.00 1.00 O ATOM 0 H SER A 28 -4.971 -2.153 11.001 1.00 1.00 H new ATOM 0 HA SER A 28 -2.244 -1.291 11.560 1.00 1.00 H new ATOM 0 HB2 SER A 28 -4.103 -3.345 12.879 1.00 1.00 H new ATOM 0 HB3 SER A 28 -2.590 -2.776 13.555 1.00 1.00 H new ATOM 0 HG SER A 28 -4.422 -1.573 14.368 1.00 1.00 H new ATOM 473 N VAL A 29 -1.003 -3.615 11.457 1.00 1.00 N ATOM 474 CA VAL A 29 -0.138 -4.731 10.971 1.00 1.00 C ATOM 475 C VAL A 29 0.459 -5.474 12.155 1.00 1.00 C ATOM 476 O VAL A 29 0.625 -4.913 13.236 1.00 1.00 O ATOM 477 CB VAL A 29 1.017 -4.165 10.076 1.00 1.00 C ATOM 478 CG1 VAL A 29 1.802 -5.320 9.392 1.00 1.00 C ATOM 479 CG2 VAL A 29 0.433 -3.228 8.996 1.00 1.00 C ATOM 0 H VAL A 29 -0.612 -3.097 12.244 1.00 1.00 H new ATOM 0 HA VAL A 29 -0.747 -5.416 10.381 1.00 1.00 H new ATOM 0 HB VAL A 29 1.702 -3.607 10.714 1.00 1.00 H new ATOM 0 HG11 VAL A 29 2.599 -4.903 8.776 1.00 1.00 H new ATOM 0 HG12 VAL A 29 2.234 -5.968 10.155 1.00 1.00 H new ATOM 0 HG13 VAL A 29 1.124 -5.899 8.765 1.00 1.00 H new ATOM 0 HG21 VAL A 29 1.241 -2.838 8.377 1.00 1.00 H new ATOM 0 HG22 VAL A 29 -0.266 -3.784 8.371 1.00 1.00 H new ATOM 0 HG23 VAL A 29 -0.089 -2.400 9.476 1.00 1.00 H new ATOM 489 N THR A 30 0.814 -6.744 11.973 1.00 1.00 N ATOM 490 CA THR A 30 1.428 -7.537 13.058 1.00 1.00 C ATOM 491 C THR A 30 2.817 -7.992 12.637 1.00 1.00 C ATOM 492 O THR A 30 2.967 -8.724 11.658 1.00 1.00 O ATOM 493 CB THR A 30 0.539 -8.768 13.359 1.00 1.00 C ATOM 494 OG1 THR A 30 -0.799 -8.324 13.530 1.00 1.00 O ATOM 495 CG2 THR A 30 0.993 -9.474 14.654 1.00 1.00 C ATOM 0 H THR A 30 0.692 -7.251 11.096 1.00 1.00 H new ATOM 0 HA THR A 30 1.512 -6.924 13.955 1.00 1.00 H new ATOM 0 HB THR A 30 0.619 -9.472 12.531 1.00 1.00 H new ATOM 0 HG1 THR A 30 -1.377 -9.092 13.720 1.00 1.00 H new ATOM 0 HG21 THR A 30 0.352 -10.335 14.843 1.00 1.00 H new ATOM 0 HG22 THR A 30 2.025 -9.807 14.544 1.00 1.00 H new ATOM 0 HG23 THR A 30 0.923 -8.779 15.491 1.00 1.00 H new ATOM 503 N ILE A 31 3.841 -7.602 13.387 1.00 1.00 N ATOM 504 CA ILE A 31 5.233 -7.990 13.105 1.00 1.00 C ATOM 505 C ILE A 31 5.798 -8.760 14.305 1.00 1.00 C ATOM 506 O ILE A 31 5.409 -8.553 15.455 1.00 1.00 O ATOM 507 CB ILE A 31 6.084 -6.728 12.782 1.00 1.00 C ATOM 508 CG1 ILE A 31 5.475 -5.982 11.546 1.00 1.00 C ATOM 509 CG2 ILE A 31 7.555 -7.114 12.488 1.00 1.00 C ATOM 510 CD1 ILE A 31 5.427 -6.838 10.253 1.00 1.00 C ATOM 0 H ILE A 31 3.738 -7.008 14.210 1.00 1.00 H new ATOM 0 HA ILE A 31 5.267 -8.642 12.232 1.00 1.00 H new ATOM 0 HB ILE A 31 6.068 -6.070 13.651 1.00 1.00 H new ATOM 0 HG12 ILE A 31 4.464 -5.658 11.792 1.00 1.00 H new ATOM 0 HG13 ILE A 31 6.060 -5.083 11.353 1.00 1.00 H new ATOM 0 HG21 ILE A 31 8.129 -6.215 12.265 1.00 1.00 H new ATOM 0 HG22 ILE A 31 7.982 -7.611 13.359 1.00 1.00 H new ATOM 0 HG23 ILE A 31 7.590 -7.788 11.632 1.00 1.00 H new ATOM 0 HD11 ILE A 31 4.993 -6.251 9.444 1.00 1.00 H new ATOM 0 HD12 ILE A 31 6.438 -7.141 9.980 1.00 1.00 H new ATOM 0 HD13 ILE A 31 4.817 -7.724 10.426 1.00 1.00 H new ATOM 522 N ARG A 32 6.735 -9.659 14.026 1.00 1.00 N ATOM 523 CA ARG A 32 7.378 -10.491 15.077 1.00 1.00 C ATOM 524 C ARG A 32 8.897 -10.344 14.985 1.00 1.00 C ATOM 525 O ARG A 32 9.525 -10.713 13.993 1.00 1.00 O ATOM 526 CB ARG A 32 6.971 -11.971 14.882 1.00 1.00 C ATOM 527 CG ARG A 32 7.524 -12.850 16.031 1.00 1.00 C ATOM 528 CD ARG A 32 7.115 -14.319 15.838 1.00 1.00 C ATOM 529 NE ARG A 32 7.535 -15.094 17.013 1.00 1.00 N ATOM 530 CZ ARG A 32 8.821 -15.388 17.257 1.00 1.00 C ATOM 531 NH1 ARG A 32 9.753 -15.063 16.398 1.00 1.00 N ATOM 532 NH2 ARG A 32 9.143 -16.015 18.355 1.00 1.00 N ATOM 0 H ARG A 32 7.078 -9.842 13.083 1.00 1.00 H new ATOM 0 HA ARG A 32 7.049 -10.159 16.062 1.00 1.00 H new ATOM 0 HB2 ARG A 32 5.885 -12.052 14.847 1.00 1.00 H new ATOM 0 HB3 ARG A 32 7.349 -12.334 13.926 1.00 1.00 H new ATOM 0 HG2 ARG A 32 8.611 -12.772 16.065 1.00 1.00 H new ATOM 0 HG3 ARG A 32 7.148 -12.486 16.987 1.00 1.00 H new ATOM 0 HD2 ARG A 32 6.036 -14.394 15.704 1.00 1.00 H new ATOM 0 HD3 ARG A 32 7.577 -14.722 14.937 1.00 1.00 H new ATOM 0 HE ARG A 32 6.823 -15.420 17.667 1.00 1.00 H new ATOM 0 HH11 ARG A 32 9.505 -14.582 15.534 1.00 1.00 H new ATOM 0 HH12 ARG A 32 10.728 -15.291 16.593 1.00 1.00 H new ATOM 0 HH21 ARG A 32 8.419 -16.279 19.023 1.00 1.00 H new ATOM 0 HH22 ARG A 32 10.119 -16.241 18.546 1.00 1.00 H new ATOM 546 N ALA A 33 9.494 -9.793 16.037 1.00 1.00 N ATOM 547 CA ALA A 33 10.942 -9.580 16.069 1.00 1.00 C ATOM 548 C ALA A 33 11.394 -9.203 17.492 1.00 1.00 C ATOM 549 O ALA A 33 10.587 -9.098 18.415 1.00 1.00 O ATOM 550 CB ALA A 33 11.325 -8.504 14.994 1.00 1.00 C ATOM 0 H ALA A 33 9.003 -9.486 16.877 1.00 1.00 H new ATOM 0 HA ALA A 33 11.470 -10.499 15.815 1.00 1.00 H new ATOM 0 HB1 ALA A 33 12.402 -8.340 15.012 1.00 1.00 H new ATOM 0 HB2 ALA A 33 11.028 -8.855 14.006 1.00 1.00 H new ATOM 0 HB3 ALA A 33 10.812 -7.569 15.217 1.00 1.00 H new ATOM 556 N TYR A 34 12.694 -8.977 17.646 1.00 1.00 N ATOM 557 CA TYR A 34 13.283 -8.620 18.943 1.00 1.00 C ATOM 558 C TYR A 34 12.921 -7.159 19.340 1.00 1.00 C ATOM 559 O TYR A 34 12.794 -6.327 18.442 1.00 1.00 O ATOM 560 CB TYR A 34 14.813 -8.777 18.827 1.00 1.00 C ATOM 561 CG TYR A 34 15.181 -10.230 18.481 1.00 1.00 C ATOM 562 CD1 TYR A 34 15.317 -11.184 19.507 1.00 1.00 C ATOM 563 CD2 TYR A 34 15.385 -10.621 17.140 1.00 1.00 C ATOM 564 CE1 TYR A 34 15.655 -12.505 19.196 1.00 1.00 C ATOM 565 CE2 TYR A 34 15.723 -11.948 16.840 1.00 1.00 C ATOM 566 CZ TYR A 34 15.857 -12.887 17.867 1.00 1.00 C ATOM 567 OH TYR A 34 16.186 -14.192 17.570 1.00 1.00 O ATOM 0 H TYR A 34 13.370 -9.034 16.884 1.00 1.00 H new ATOM 0 HA TYR A 34 12.888 -9.275 19.719 1.00 1.00 H new ATOM 0 HB2 TYR A 34 15.196 -8.106 18.058 1.00 1.00 H new ATOM 0 HB3 TYR A 34 15.286 -8.490 19.766 1.00 1.00 H new ATOM 0 HD1 TYR A 34 15.160 -10.895 20.536 1.00 1.00 H new ATOM 0 HD2 TYR A 34 15.281 -9.898 16.345 1.00 1.00 H new ATOM 0 HE1 TYR A 34 15.760 -13.233 19.987 1.00 1.00 H new ATOM 0 HE2 TYR A 34 15.880 -12.245 15.814 1.00 1.00 H new ATOM 0 HH TYR A 34 16.290 -14.291 16.601 1.00 1.00 H new ATOM 577 N PRO A 35 12.759 -6.839 20.596 1.00 1.00 N ATOM 578 CA PRO A 35 12.416 -5.430 21.018 1.00 1.00 C ATOM 579 C PRO A 35 13.589 -4.447 20.786 1.00 1.00 C ATOM 580 O PRO A 35 13.380 -3.249 20.587 1.00 1.00 O ATOM 581 CB PRO A 35 12.036 -5.574 22.520 1.00 1.00 C ATOM 582 CG PRO A 35 12.829 -6.761 22.989 1.00 1.00 C ATOM 583 CD PRO A 35 12.856 -7.730 21.785 1.00 1.00 C ATOM 0 HA PRO A 35 11.604 -5.002 20.430 1.00 1.00 H new ATOM 0 HB2 PRO A 35 12.292 -4.677 23.083 1.00 1.00 H new ATOM 0 HB3 PRO A 35 10.965 -5.735 22.646 1.00 1.00 H new ATOM 0 HG2 PRO A 35 13.837 -6.470 23.283 1.00 1.00 H new ATOM 0 HG3 PRO A 35 12.365 -7.226 23.859 1.00 1.00 H new ATOM 0 HD2 PRO A 35 13.773 -8.318 21.768 1.00 1.00 H new ATOM 0 HD3 PRO A 35 12.026 -8.435 21.823 1.00 1.00 H new ATOM 591 N GLU A 36 14.813 -4.962 20.848 1.00 1.00 N ATOM 592 CA GLU A 36 16.024 -4.121 20.649 1.00 1.00 C ATOM 593 C GLU A 36 16.008 -3.436 19.264 1.00 1.00 C ATOM 594 O GLU A 36 16.307 -2.249 19.142 1.00 1.00 O ATOM 595 CB GLU A 36 17.330 -4.987 20.789 1.00 1.00 C ATOM 596 CG GLU A 36 17.092 -6.435 20.284 1.00 1.00 C ATOM 597 CD GLU A 36 18.412 -7.197 20.133 1.00 1.00 C ATOM 598 OE1 GLU A 36 19.283 -7.005 20.965 1.00 1.00 O ATOM 599 OE2 GLU A 36 18.528 -7.959 19.187 1.00 1.00 O ATOM 0 H GLU A 36 15.009 -5.946 21.032 1.00 1.00 H new ATOM 0 HA GLU A 36 16.017 -3.351 21.420 1.00 1.00 H new ATOM 0 HB2 GLU A 36 18.138 -4.528 20.220 1.00 1.00 H new ATOM 0 HB3 GLU A 36 17.646 -5.009 21.832 1.00 1.00 H new ATOM 0 HG2 GLU A 36 16.443 -6.963 20.982 1.00 1.00 H new ATOM 0 HG3 GLU A 36 16.574 -6.407 19.325 1.00 1.00 H new ATOM 606 N ILE A 37 15.665 -4.190 18.224 1.00 1.00 N ATOM 607 CA ILE A 37 15.629 -3.627 16.843 1.00 1.00 C ATOM 608 C ILE A 37 14.280 -2.958 16.576 1.00 1.00 C ATOM 609 O ILE A 37 14.192 -1.958 15.864 1.00 1.00 O ATOM 610 CB ILE A 37 15.936 -4.736 15.788 1.00 1.00 C ATOM 611 CG1 ILE A 37 14.815 -5.829 15.811 1.00 1.00 C ATOM 612 CG2 ILE A 37 17.336 -5.349 16.089 1.00 1.00 C ATOM 613 CD1 ILE A 37 15.178 -7.050 14.937 1.00 1.00 C ATOM 0 H ILE A 37 15.410 -5.175 18.289 1.00 1.00 H new ATOM 0 HA ILE A 37 16.404 -2.865 16.755 1.00 1.00 H new ATOM 0 HB ILE A 37 15.952 -4.304 14.787 1.00 1.00 H new ATOM 0 HG12 ILE A 37 14.648 -6.155 16.838 1.00 1.00 H new ATOM 0 HG13 ILE A 37 13.879 -5.396 15.458 1.00 1.00 H new ATOM 0 HG21 ILE A 37 17.559 -6.125 15.357 1.00 1.00 H new ATOM 0 HG22 ILE A 37 18.095 -4.568 16.033 1.00 1.00 H new ATOM 0 HG23 ILE A 37 17.336 -5.783 17.089 1.00 1.00 H new ATOM 0 HD11 ILE A 37 14.372 -7.783 14.983 1.00 1.00 H new ATOM 0 HD12 ILE A 37 15.319 -6.730 13.905 1.00 1.00 H new ATOM 0 HD13 ILE A 37 16.099 -7.501 15.306 1.00 1.00 H new ATOM 625 N LEU A 38 13.220 -3.514 17.155 1.00 1.00 N ATOM 626 CA LEU A 38 11.861 -2.933 16.961 1.00 1.00 C ATOM 627 C LEU A 38 11.780 -1.564 17.659 1.00 1.00 C ATOM 628 O LEU A 38 11.124 -0.643 17.172 1.00 1.00 O ATOM 629 CB LEU A 38 10.763 -3.886 17.507 1.00 1.00 C ATOM 630 CG LEU A 38 10.515 -5.133 16.578 1.00 1.00 C ATOM 631 CD1 LEU A 38 9.749 -6.226 17.367 1.00 1.00 C ATOM 632 CD2 LEU A 38 9.677 -4.749 15.323 1.00 1.00 C ATOM 0 H LEU A 38 13.253 -4.343 17.749 1.00 1.00 H new ATOM 0 HA LEU A 38 11.687 -2.803 15.893 1.00 1.00 H new ATOM 0 HB2 LEU A 38 11.050 -4.231 18.500 1.00 1.00 H new ATOM 0 HB3 LEU A 38 9.831 -3.332 17.619 1.00 1.00 H new ATOM 0 HG LEU A 38 11.487 -5.504 16.253 1.00 1.00 H new ATOM 0 HD11 LEU A 38 9.578 -7.088 16.722 1.00 1.00 H new ATOM 0 HD12 LEU A 38 10.338 -6.531 18.232 1.00 1.00 H new ATOM 0 HD13 LEU A 38 8.791 -5.829 17.702 1.00 1.00 H new ATOM 0 HD21 LEU A 38 9.524 -5.633 14.703 1.00 1.00 H new ATOM 0 HD22 LEU A 38 8.711 -4.355 15.637 1.00 1.00 H new ATOM 0 HD23 LEU A 38 10.209 -3.991 14.749 1.00 1.00 H new ATOM 644 N ASN A 39 12.455 -1.439 18.796 1.00 1.00 N ATOM 645 CA ASN A 39 12.465 -0.183 19.575 1.00 1.00 C ATOM 646 C ASN A 39 13.419 0.813 18.937 1.00 1.00 C ATOM 647 O ASN A 39 13.446 1.993 19.290 1.00 1.00 O ATOM 648 CB ASN A 39 12.897 -0.475 21.034 1.00 1.00 C ATOM 649 CG ASN A 39 12.813 0.783 21.908 1.00 1.00 C ATOM 650 OD1 ASN A 39 13.721 1.615 21.893 1.00 1.00 O ATOM 651 ND2 ASN A 39 11.773 0.969 22.675 1.00 1.00 N ATOM 0 H ASN A 39 13.008 -2.190 19.209 1.00 1.00 H new ATOM 0 HA ASN A 39 11.462 0.244 19.581 1.00 1.00 H new ATOM 0 HB2 ASN A 39 12.261 -1.254 21.454 1.00 1.00 H new ATOM 0 HB3 ASN A 39 13.918 -0.858 21.043 1.00 1.00 H new ATOM 0 HD21 ASN A 39 11.714 1.802 23.260 1.00 1.00 H new ATOM 0 HD22 ASN A 39 11.020 0.281 22.689 1.00 1.00 H new ATOM 658 N ASN A 40 14.220 0.338 17.989 1.00 1.00 N ATOM 659 CA ASN A 40 15.203 1.179 17.278 1.00 1.00 C ATOM 660 C ASN A 40 14.695 1.523 15.879 1.00 1.00 C ATOM 661 O ASN A 40 14.892 2.644 15.412 1.00 1.00 O ATOM 662 CB ASN A 40 16.542 0.411 17.176 1.00 1.00 C ATOM 663 CG ASN A 40 17.650 1.295 16.596 1.00 1.00 C ATOM 664 OD1 ASN A 40 17.865 1.312 15.383 1.00 1.00 O ATOM 665 ND2 ASN A 40 18.374 2.025 17.399 1.00 1.00 N ATOM 0 H ASN A 40 14.214 -0.636 17.686 1.00 1.00 H new ATOM 0 HA ASN A 40 15.350 2.107 17.830 1.00 1.00 H new ATOM 0 HB2 ASN A 40 16.836 0.057 18.164 1.00 1.00 H new ATOM 0 HB3 ASN A 40 16.411 -0.470 16.548 1.00 1.00 H new ATOM 0 HD21 ASN A 40 19.119 2.611 17.023 1.00 1.00 H new ATOM 0 HD22 ASN A 40 18.195 2.010 18.403 1.00 1.00 H new ATOM 672 N LEU A 41 14.054 0.573 15.208 1.00 1.00 N ATOM 673 CA LEU A 41 13.526 0.765 13.849 1.00 1.00 C ATOM 674 C LEU A 41 12.498 1.896 13.864 1.00 1.00 C ATOM 675 O LEU A 41 11.731 2.070 14.812 1.00 1.00 O ATOM 676 CB LEU A 41 12.880 -0.585 13.282 1.00 1.00 C ATOM 677 CG LEU A 41 13.462 -0.992 11.886 1.00 1.00 C ATOM 678 CD1 LEU A 41 12.895 -2.362 11.437 1.00 1.00 C ATOM 679 CD2 LEU A 41 13.117 0.081 10.830 1.00 1.00 C ATOM 0 H LEU A 41 13.882 -0.358 15.587 1.00 1.00 H new ATOM 0 HA LEU A 41 14.348 1.033 13.185 1.00 1.00 H new ATOM 0 HB2 LEU A 41 13.053 -1.393 13.993 1.00 1.00 H new ATOM 0 HB3 LEU A 41 11.800 -0.460 13.199 1.00 1.00 H new ATOM 0 HG LEU A 41 14.545 -1.071 11.979 1.00 1.00 H new ATOM 0 HD11 LEU A 41 13.311 -2.627 10.465 1.00 1.00 H new ATOM 0 HD12 LEU A 41 13.165 -3.125 12.168 1.00 1.00 H new ATOM 0 HD13 LEU A 41 11.809 -2.300 11.362 1.00 1.00 H new ATOM 0 HD21 LEU A 41 13.527 -0.214 9.864 1.00 1.00 H new ATOM 0 HD22 LEU A 41 12.034 0.178 10.750 1.00 1.00 H new ATOM 0 HD23 LEU A 41 13.546 1.037 11.130 1.00 1.00 H new ATOM 691 N THR A 42 12.483 2.689 12.797 1.00 1.00 N ATOM 692 CA THR A 42 11.542 3.823 12.675 1.00 1.00 C ATOM 693 C THR A 42 10.673 3.629 11.441 1.00 1.00 C ATOM 694 O THR A 42 11.085 3.040 10.442 1.00 1.00 O ATOM 695 CB THR A 42 12.316 5.154 12.580 1.00 1.00 C ATOM 696 OG1 THR A 42 11.403 6.203 12.293 1.00 1.00 O ATOM 697 CG2 THR A 42 13.382 5.086 11.479 1.00 1.00 C ATOM 0 H THR A 42 13.108 2.576 11.999 1.00 1.00 H new ATOM 0 HA THR A 42 10.907 3.858 13.560 1.00 1.00 H new ATOM 0 HB THR A 42 12.815 5.341 13.531 1.00 1.00 H new ATOM 0 HG1 THR A 42 11.889 7.052 12.233 1.00 1.00 H new ATOM 0 HG21 THR A 42 13.915 6.035 11.430 1.00 1.00 H new ATOM 0 HG22 THR A 42 14.086 4.285 11.704 1.00 1.00 H new ATOM 0 HG23 THR A 42 12.903 4.889 10.520 1.00 1.00 H new ATOM 705 N LYS A 43 9.442 4.125 11.513 1.00 1.00 N ATOM 706 CA LYS A 43 8.494 3.991 10.410 1.00 1.00 C ATOM 707 C LYS A 43 9.073 4.572 9.102 1.00 1.00 C ATOM 708 O LYS A 43 8.841 4.031 8.022 1.00 1.00 O ATOM 709 CB LYS A 43 7.205 4.732 10.785 1.00 1.00 C ATOM 710 CG LYS A 43 6.552 4.089 12.035 1.00 1.00 C ATOM 711 CD LYS A 43 5.299 4.895 12.427 1.00 1.00 C ATOM 712 CE LYS A 43 4.609 4.272 13.650 1.00 1.00 C ATOM 713 NZ LYS A 43 3.407 5.087 13.992 1.00 1.00 N ATOM 0 H LYS A 43 9.076 4.624 12.324 1.00 1.00 H new ATOM 0 HA LYS A 43 8.290 2.934 10.240 1.00 1.00 H new ATOM 0 HB2 LYS A 43 7.426 5.781 10.982 1.00 1.00 H new ATOM 0 HB3 LYS A 43 6.507 4.705 9.948 1.00 1.00 H new ATOM 0 HG2 LYS A 43 6.282 3.054 11.826 1.00 1.00 H new ATOM 0 HG3 LYS A 43 7.261 4.073 12.862 1.00 1.00 H new ATOM 0 HD2 LYS A 43 5.578 5.925 12.647 1.00 1.00 H new ATOM 0 HD3 LYS A 43 4.604 4.926 11.588 1.00 1.00 H new ATOM 0 HE2 LYS A 43 4.319 3.243 13.436 1.00 1.00 H new ATOM 0 HE3 LYS A 43 5.296 4.240 14.495 1.00 1.00 H new ATOM 0 HZ1 LYS A 43 2.931 4.674 14.820 1.00 1.00 H new ATOM 0 HZ2 LYS A 43 3.699 6.061 14.211 1.00 1.00 H new ATOM 0 HZ3 LYS A 43 2.752 5.095 13.184 1.00 1.00 H new ATOM 727 N GLU A 44 9.815 5.670 9.197 1.00 1.00 N ATOM 728 CA GLU A 44 10.414 6.324 8.022 1.00 1.00 C ATOM 729 C GLU A 44 11.362 5.374 7.272 1.00 1.00 C ATOM 730 O GLU A 44 11.645 5.566 6.091 1.00 1.00 O ATOM 731 CB GLU A 44 11.192 7.580 8.473 1.00 1.00 C ATOM 732 CG GLU A 44 10.238 8.579 9.168 1.00 1.00 C ATOM 733 CD GLU A 44 10.989 9.836 9.626 1.00 1.00 C ATOM 734 OE1 GLU A 44 12.172 9.956 9.336 1.00 1.00 O ATOM 735 OE2 GLU A 44 10.363 10.665 10.263 1.00 1.00 O ATOM 0 H GLU A 44 10.022 6.135 10.081 1.00 1.00 H new ATOM 0 HA GLU A 44 9.609 6.605 7.343 1.00 1.00 H new ATOM 0 HB2 GLU A 44 11.992 7.295 9.156 1.00 1.00 H new ATOM 0 HB3 GLU A 44 11.662 8.054 7.611 1.00 1.00 H new ATOM 0 HG2 GLU A 44 9.438 8.859 8.482 1.00 1.00 H new ATOM 0 HG3 GLU A 44 9.768 8.100 10.027 1.00 1.00 H new ATOM 742 N GLN A 45 11.845 4.340 7.955 1.00 1.00 N ATOM 743 CA GLN A 45 12.771 3.365 7.342 1.00 1.00 C ATOM 744 C GLN A 45 12.015 2.349 6.491 1.00 1.00 C ATOM 745 O GLN A 45 12.505 1.924 5.445 1.00 1.00 O ATOM 746 CB GLN A 45 13.569 2.645 8.447 1.00 1.00 C ATOM 747 CG GLN A 45 14.645 1.688 7.853 1.00 1.00 C ATOM 748 CD GLN A 45 15.547 1.138 8.971 1.00 1.00 C ATOM 749 OE1 GLN A 45 16.092 1.908 9.759 1.00 1.00 O ATOM 750 NE2 GLN A 45 15.728 -0.151 9.096 1.00 1.00 N ATOM 0 H GLN A 45 11.618 4.147 8.930 1.00 1.00 H new ATOM 0 HA GLN A 45 13.458 3.903 6.689 1.00 1.00 H new ATOM 0 HB2 GLN A 45 14.053 3.384 9.086 1.00 1.00 H new ATOM 0 HB3 GLN A 45 12.885 2.077 9.078 1.00 1.00 H new ATOM 0 HG2 GLN A 45 14.160 0.864 7.330 1.00 1.00 H new ATOM 0 HG3 GLN A 45 15.249 2.220 7.118 1.00 1.00 H new ATOM 0 HE21 GLN A 45 15.278 -0.795 8.445 1.00 1.00 H new ATOM 0 HE22 GLN A 45 16.319 -0.513 9.845 1.00 1.00 H new ATOM 759 N ILE A 46 10.821 1.961 6.928 1.00 1.00 N ATOM 760 CA ILE A 46 10.013 0.970 6.215 1.00 1.00 C ATOM 761 C ILE A 46 9.537 1.542 4.872 1.00 1.00 C ATOM 762 O ILE A 46 8.958 2.625 4.811 1.00 1.00 O ATOM 763 CB ILE A 46 8.777 0.558 7.090 1.00 1.00 C ATOM 764 CG1 ILE A 46 9.201 0.333 8.577 1.00 1.00 C ATOM 765 CG2 ILE A 46 8.140 -0.740 6.532 1.00 1.00 C ATOM 766 CD1 ILE A 46 10.360 -0.666 8.713 1.00 1.00 C ATOM 0 H ILE A 46 10.387 2.319 7.779 1.00 1.00 H new ATOM 0 HA ILE A 46 10.625 0.088 6.025 1.00 1.00 H new ATOM 0 HB ILE A 46 8.048 1.367 7.052 1.00 1.00 H new ATOM 0 HG12 ILE A 46 9.494 1.287 9.016 1.00 1.00 H new ATOM 0 HG13 ILE A 46 8.344 -0.030 9.145 1.00 1.00 H new ATOM 0 HG21 ILE A 46 7.283 -1.018 7.146 1.00 1.00 H new ATOM 0 HG22 ILE A 46 7.812 -0.573 5.506 1.00 1.00 H new ATOM 0 HG23 ILE A 46 8.876 -1.544 6.551 1.00 1.00 H new ATOM 0 HD11 ILE A 46 10.615 -0.786 9.766 1.00 1.00 H new ATOM 0 HD12 ILE A 46 10.060 -1.629 8.300 1.00 1.00 H new ATOM 0 HD13 ILE A 46 11.228 -0.293 8.170 1.00 1.00 H new ATOM 778 N SER A 47 9.779 0.808 3.792 1.00 1.00 N ATOM 779 CA SER A 47 9.374 1.230 2.439 1.00 1.00 C ATOM 780 C SER A 47 8.112 0.471 2.015 1.00 1.00 C ATOM 781 O SER A 47 8.134 -0.737 1.787 1.00 1.00 O ATOM 782 CB SER A 47 10.516 0.943 1.455 1.00 1.00 C ATOM 783 OG SER A 47 11.714 1.512 1.955 1.00 1.00 O ATOM 0 H SER A 47 10.258 -0.092 3.819 1.00 1.00 H new ATOM 0 HA SER A 47 9.158 2.298 2.439 1.00 1.00 H new ATOM 0 HB2 SER A 47 10.637 -0.132 1.323 1.00 1.00 H new ATOM 0 HB3 SER A 47 10.282 1.360 0.476 1.00 1.00 H new ATOM 0 HG SER A 47 12.448 1.330 1.331 1.00 1.00 H new ATOM 789 N LEU A 48 7.004 1.197 1.903 1.00 1.00 N ATOM 790 CA LEU A 48 5.702 0.600 1.506 1.00 1.00 C ATOM 791 C LEU A 48 5.078 1.388 0.358 1.00 1.00 C ATOM 792 O LEU A 48 4.865 2.597 0.450 1.00 1.00 O ATOM 793 CB LEU A 48 4.733 0.612 2.731 1.00 1.00 C ATOM 794 CG LEU A 48 5.211 -0.388 3.848 1.00 1.00 C ATOM 795 CD1 LEU A 48 4.743 0.078 5.249 1.00 1.00 C ATOM 796 CD2 LEU A 48 4.668 -1.821 3.592 1.00 1.00 C ATOM 0 H LEU A 48 6.966 2.201 2.078 1.00 1.00 H new ATOM 0 HA LEU A 48 5.872 -0.425 1.175 1.00 1.00 H new ATOM 0 HB2 LEU A 48 4.676 1.620 3.142 1.00 1.00 H new ATOM 0 HB3 LEU A 48 3.728 0.343 2.405 1.00 1.00 H new ATOM 0 HG LEU A 48 6.300 -0.404 3.814 1.00 1.00 H new ATOM 0 HD11 LEU A 48 5.087 -0.631 6.002 1.00 1.00 H new ATOM 0 HD12 LEU A 48 5.158 1.063 5.462 1.00 1.00 H new ATOM 0 HD13 LEU A 48 3.654 0.130 5.270 1.00 1.00 H new ATOM 0 HD21 LEU A 48 5.016 -2.488 4.381 1.00 1.00 H new ATOM 0 HD22 LEU A 48 3.578 -1.802 3.587 1.00 1.00 H new ATOM 0 HD23 LEU A 48 5.029 -2.180 2.628 1.00 1.00 H new ATOM 808 N TRP A 49 4.751 0.686 -0.722 1.00 1.00 N ATOM 809 CA TRP A 49 4.116 1.299 -1.883 1.00 1.00 C ATOM 810 C TRP A 49 3.422 0.229 -2.719 1.00 1.00 C ATOM 811 O TRP A 49 3.424 -0.950 -2.367 1.00 1.00 O ATOM 812 CB TRP A 49 5.160 2.100 -2.710 1.00 1.00 C ATOM 813 CG TRP A 49 6.012 1.168 -3.532 1.00 1.00 C ATOM 814 CD1 TRP A 49 5.764 0.821 -4.814 1.00 1.00 C ATOM 815 CD2 TRP A 49 7.201 0.432 -3.136 1.00 1.00 C ATOM 816 NE1 TRP A 49 6.741 -0.046 -5.244 1.00 1.00 N ATOM 817 CE2 TRP A 49 7.650 -0.324 -4.245 1.00 1.00 C ATOM 818 CE3 TRP A 49 7.933 0.358 -1.940 1.00 1.00 C ATOM 819 CZ2 TRP A 49 8.783 -1.130 -4.168 1.00 1.00 C ATOM 820 CZ3 TRP A 49 9.074 -0.457 -1.859 1.00 1.00 C ATOM 821 CH2 TRP A 49 9.498 -1.198 -2.969 1.00 1.00 C ATOM 0 H TRP A 49 4.917 -0.316 -0.817 1.00 1.00 H new ATOM 0 HA TRP A 49 3.356 2.006 -1.552 1.00 1.00 H new ATOM 0 HB2 TRP A 49 4.649 2.807 -3.364 1.00 1.00 H new ATOM 0 HB3 TRP A 49 5.792 2.684 -2.041 1.00 1.00 H new ATOM 0 HD1 TRP A 49 4.931 1.169 -5.407 1.00 1.00 H new ATOM 0 HE1 TRP A 49 6.788 -0.435 -6.186 1.00 1.00 H new ATOM 0 HE3 TRP A 49 7.618 0.930 -1.080 1.00 1.00 H new ATOM 0 HZ2 TRP A 49 9.107 -1.698 -5.028 1.00 1.00 H new ATOM 0 HZ3 TRP A 49 9.628 -0.513 -0.934 1.00 1.00 H new ATOM 0 HH2 TRP A 49 10.377 -1.822 -2.899 1.00 1.00 H new ATOM 832 N ILE A 50 2.822 0.636 -3.833 1.00 1.00 N ATOM 833 CA ILE A 50 2.099 -0.290 -4.729 1.00 1.00 C ATOM 834 C ILE A 50 2.295 0.146 -6.186 1.00 1.00 C ATOM 835 O ILE A 50 2.571 1.305 -6.494 1.00 1.00 O ATOM 836 CB ILE A 50 0.570 -0.332 -4.371 1.00 1.00 C ATOM 837 CG1 ILE A 50 0.392 -0.418 -2.823 1.00 1.00 C ATOM 838 CG2 ILE A 50 -0.110 -1.547 -5.060 1.00 1.00 C ATOM 839 CD1 ILE A 50 -1.088 -0.443 -2.419 1.00 1.00 C ATOM 0 H ILE A 50 2.817 1.606 -4.147 1.00 1.00 H new ATOM 0 HA ILE A 50 2.503 -1.294 -4.598 1.00 1.00 H new ATOM 0 HB ILE A 50 0.095 0.580 -4.732 1.00 1.00 H new ATOM 0 HG12 ILE A 50 0.886 -1.315 -2.450 1.00 1.00 H new ATOM 0 HG13 ILE A 50 0.883 0.434 -2.353 1.00 1.00 H new ATOM 0 HG21 ILE A 50 -1.169 -1.565 -4.804 1.00 1.00 H new ATOM 0 HG22 ILE A 50 0.001 -1.461 -6.141 1.00 1.00 H new ATOM 0 HG23 ILE A 50 0.361 -2.469 -4.719 1.00 1.00 H new ATOM 0 HD11 ILE A 50 -1.168 -0.503 -1.334 1.00 1.00 H new ATOM 0 HD12 ILE A 50 -1.576 0.467 -2.769 1.00 1.00 H new ATOM 0 HD13 ILE A 50 -1.573 -1.310 -2.867 1.00 1.00 H new ATOM 851 N ASP A 51 2.135 -0.815 -7.090 1.00 1.00 N ATOM 852 CA ASP A 51 2.285 -0.576 -8.536 1.00 1.00 C ATOM 853 C ASP A 51 0.922 -0.615 -9.237 1.00 1.00 C ATOM 854 O ASP A 51 0.326 -1.680 -9.404 1.00 1.00 O ATOM 855 CB ASP A 51 3.202 -1.674 -9.100 1.00 1.00 C ATOM 856 CG ASP A 51 4.567 -1.618 -8.403 1.00 1.00 C ATOM 857 OD1 ASP A 51 5.002 -0.525 -8.069 1.00 1.00 O ATOM 858 OD2 ASP A 51 5.152 -2.670 -8.206 1.00 1.00 O ATOM 0 H ASP A 51 1.899 -1.778 -6.851 1.00 1.00 H new ATOM 0 HA ASP A 51 2.716 0.410 -8.708 1.00 1.00 H new ATOM 0 HB2 ASP A 51 2.747 -2.653 -8.951 1.00 1.00 H new ATOM 0 HB3 ASP A 51 3.326 -1.541 -10.175 1.00 1.00 H new ATOM 863 N ALA A 52 0.441 0.548 -9.663 1.00 1.00 N ATOM 864 CA ALA A 52 -0.858 0.643 -10.363 1.00 1.00 C ATOM 865 C ALA A 52 -0.658 0.491 -11.872 1.00 1.00 C ATOM 866 O ALA A 52 -1.618 0.558 -12.639 1.00 1.00 O ATOM 867 CB ALA A 52 -1.544 1.982 -10.018 1.00 1.00 C ATOM 0 H ALA A 52 0.920 1.440 -9.542 1.00 1.00 H new ATOM 0 HA ALA A 52 -1.508 -0.167 -10.030 1.00 1.00 H new ATOM 0 HB1 ALA A 52 -2.500 2.045 -10.537 1.00 1.00 H new ATOM 0 HB2 ALA A 52 -1.711 2.039 -8.942 1.00 1.00 H new ATOM 0 HB3 ALA A 52 -0.906 2.809 -10.331 1.00 1.00 H new ATOM 873 N THR A 53 0.578 0.262 -12.303 1.00 1.00 N ATOM 874 CA THR A 53 0.882 0.069 -13.727 1.00 1.00 C ATOM 875 C THR A 53 0.367 -1.295 -14.153 1.00 1.00 C ATOM 876 O THR A 53 0.138 -2.182 -13.332 1.00 1.00 O ATOM 877 CB THR A 53 2.419 0.160 -14.000 1.00 1.00 C ATOM 878 OG1 THR A 53 2.740 -0.547 -15.195 1.00 1.00 O ATOM 879 CG2 THR A 53 3.228 -0.448 -12.832 1.00 1.00 C ATOM 0 H THR A 53 1.391 0.204 -11.690 1.00 1.00 H new ATOM 0 HA THR A 53 0.395 0.858 -14.300 1.00 1.00 H new ATOM 0 HB THR A 53 2.679 1.214 -14.102 1.00 1.00 H new ATOM 0 HG1 THR A 53 3.704 -0.486 -15.363 1.00 1.00 H new ATOM 0 HG21 THR A 53 4.293 -0.371 -13.049 1.00 1.00 H new ATOM 0 HG22 THR A 53 3.004 0.094 -11.913 1.00 1.00 H new ATOM 0 HG23 THR A 53 2.957 -1.497 -12.709 1.00 1.00 H new ATOM 887 N GLY A 54 0.199 -1.472 -15.460 1.00 1.00 N ATOM 888 CA GLY A 54 -0.318 -2.745 -16.004 1.00 1.00 C ATOM 889 C GLY A 54 -1.774 -3.023 -15.531 1.00 1.00 C ATOM 890 O GLY A 54 -2.567 -3.628 -16.254 1.00 1.00 O ATOM 0 H GLY A 54 0.408 -0.764 -16.164 1.00 1.00 H new ATOM 0 HA2 GLY A 54 -0.289 -2.714 -17.093 1.00 1.00 H new ATOM 0 HA3 GLY A 54 0.329 -3.564 -15.691 1.00 1.00 H new ATOM 894 N LYS A 55 -2.103 -2.574 -14.325 1.00 1.00 N ATOM 895 CA LYS A 55 -3.441 -2.784 -13.761 1.00 1.00 C ATOM 896 C LYS A 55 -4.476 -1.997 -14.581 1.00 1.00 C ATOM 897 O LYS A 55 -4.230 -0.887 -15.051 1.00 1.00 O ATOM 898 CB LYS A 55 -3.487 -2.334 -12.254 1.00 1.00 C ATOM 899 CG LYS A 55 -3.029 -3.462 -11.280 1.00 1.00 C ATOM 900 CD LYS A 55 -1.533 -3.790 -11.470 1.00 1.00 C ATOM 901 CE LYS A 55 -1.118 -4.929 -10.516 1.00 1.00 C ATOM 902 NZ LYS A 55 -1.362 -4.504 -9.111 1.00 1.00 N ATOM 0 H LYS A 55 -1.465 -2.062 -13.715 1.00 1.00 H new ATOM 0 HA LYS A 55 -3.678 -3.847 -13.806 1.00 1.00 H new ATOM 0 HB2 LYS A 55 -2.849 -1.461 -12.119 1.00 1.00 H new ATOM 0 HB3 LYS A 55 -4.502 -2.029 -12.000 1.00 1.00 H new ATOM 0 HG2 LYS A 55 -3.208 -3.152 -10.250 1.00 1.00 H new ATOM 0 HG3 LYS A 55 -3.625 -4.358 -11.451 1.00 1.00 H new ATOM 0 HD2 LYS A 55 -1.345 -4.083 -12.503 1.00 1.00 H new ATOM 0 HD3 LYS A 55 -0.930 -2.903 -11.275 1.00 1.00 H new ATOM 0 HE2 LYS A 55 -1.686 -5.832 -10.739 1.00 1.00 H new ATOM 0 HE3 LYS A 55 -0.065 -5.172 -10.657 1.00 1.00 H new ATOM 0 HZ1 LYS A 55 -0.888 -5.164 -8.461 1.00 1.00 H new ATOM 0 HZ2 LYS A 55 -0.984 -3.546 -8.968 1.00 1.00 H new ATOM 0 HZ3 LYS A 55 -2.384 -4.505 -8.921 1.00 1.00 H new ATOM 916 N ALA A 56 -5.652 -2.599 -14.734 1.00 1.00 N ATOM 917 CA ALA A 56 -6.766 -1.993 -15.483 1.00 1.00 C ATOM 918 C ALA A 56 -7.820 -1.493 -14.507 1.00 1.00 C ATOM 919 O ALA A 56 -7.771 -1.758 -13.306 1.00 1.00 O ATOM 920 CB ALA A 56 -7.372 -3.047 -16.429 1.00 1.00 C ATOM 0 H ALA A 56 -5.867 -3.518 -14.346 1.00 1.00 H new ATOM 0 HA ALA A 56 -6.404 -1.150 -16.072 1.00 1.00 H new ATOM 0 HB1 ALA A 56 -8.197 -2.604 -16.986 1.00 1.00 H new ATOM 0 HB2 ALA A 56 -6.608 -3.393 -17.125 1.00 1.00 H new ATOM 0 HB3 ALA A 56 -7.740 -3.891 -15.846 1.00 1.00 H new ATOM 926 N VAL A 57 -8.794 -0.758 -15.035 1.00 1.00 N ATOM 927 CA VAL A 57 -9.880 -0.207 -14.239 1.00 1.00 C ATOM 928 C VAL A 57 -10.653 -1.340 -13.553 1.00 1.00 C ATOM 929 O VAL A 57 -10.854 -2.415 -14.117 1.00 1.00 O ATOM 930 CB VAL A 57 -10.837 0.623 -15.149 1.00 1.00 C ATOM 931 CG1 VAL A 57 -11.858 1.396 -14.285 1.00 1.00 C ATOM 932 CG2 VAL A 57 -10.018 1.630 -15.989 1.00 1.00 C ATOM 0 H VAL A 57 -8.851 -0.529 -16.027 1.00 1.00 H new ATOM 0 HA VAL A 57 -9.464 0.449 -13.474 1.00 1.00 H new ATOM 0 HB VAL A 57 -11.369 -0.061 -15.810 1.00 1.00 H new ATOM 0 HG11 VAL A 57 -12.520 1.971 -14.932 1.00 1.00 H new ATOM 0 HG12 VAL A 57 -12.447 0.690 -13.699 1.00 1.00 H new ATOM 0 HG13 VAL A 57 -11.329 2.072 -13.614 1.00 1.00 H new ATOM 0 HG21 VAL A 57 -10.691 2.207 -16.623 1.00 1.00 H new ATOM 0 HG22 VAL A 57 -9.478 2.304 -15.324 1.00 1.00 H new ATOM 0 HG23 VAL A 57 -9.306 1.089 -16.613 1.00 1.00 H new ATOM 942 N GLY A 58 -11.098 -1.092 -12.325 1.00 1.00 N ATOM 943 CA GLY A 58 -11.862 -2.075 -11.528 1.00 1.00 C ATOM 944 C GLY A 58 -11.159 -2.348 -10.213 1.00 1.00 C ATOM 945 O GLY A 58 -10.046 -1.878 -9.975 1.00 1.00 O ATOM 0 H GLY A 58 -10.944 -0.206 -11.844 1.00 1.00 H new ATOM 0 HA2 GLY A 58 -12.867 -1.698 -11.339 1.00 1.00 H new ATOM 0 HA3 GLY A 58 -11.970 -3.003 -12.090 1.00 1.00 H new ATOM 949 N GLU A 59 -11.823 -3.107 -9.346 1.00 1.00 N ATOM 950 CA GLU A 59 -11.278 -3.452 -8.015 1.00 1.00 C ATOM 951 C GLU A 59 -10.647 -4.857 -7.996 1.00 1.00 C ATOM 952 O GLU A 59 -11.248 -5.844 -8.421 1.00 1.00 O ATOM 953 CB GLU A 59 -12.406 -3.346 -6.950 1.00 1.00 C ATOM 954 CG GLU A 59 -13.611 -4.237 -7.324 1.00 1.00 C ATOM 955 CD GLU A 59 -14.732 -4.077 -6.292 1.00 1.00 C ATOM 956 OE1 GLU A 59 -14.681 -4.765 -5.283 1.00 1.00 O ATOM 957 OE2 GLU A 59 -15.617 -3.276 -6.527 1.00 1.00 O ATOM 0 H GLU A 59 -12.745 -3.502 -9.533 1.00 1.00 H new ATOM 0 HA GLU A 59 -10.484 -2.743 -7.780 1.00 1.00 H new ATOM 0 HB2 GLU A 59 -12.019 -3.643 -5.975 1.00 1.00 H new ATOM 0 HB3 GLU A 59 -12.730 -2.309 -6.862 1.00 1.00 H new ATOM 0 HG2 GLU A 59 -13.978 -3.967 -8.314 1.00 1.00 H new ATOM 0 HG3 GLU A 59 -13.299 -5.280 -7.373 1.00 1.00 H new ATOM 964 N HIS A 60 -9.423 -4.919 -7.480 1.00 1.00 N ATOM 965 CA HIS A 60 -8.685 -6.177 -7.375 1.00 1.00 C ATOM 966 C HIS A 60 -7.790 -6.161 -6.139 1.00 1.00 C ATOM 967 O HIS A 60 -7.364 -5.111 -5.655 1.00 1.00 O ATOM 968 CB HIS A 60 -7.849 -6.385 -8.650 1.00 1.00 C ATOM 969 CG HIS A 60 -8.765 -6.401 -9.851 1.00 1.00 C ATOM 970 ND1 HIS A 60 -9.535 -7.507 -10.179 1.00 1.00 N ATOM 971 CD2 HIS A 60 -9.072 -5.442 -10.786 1.00 1.00 C ATOM 972 CE1 HIS A 60 -10.262 -7.190 -11.266 1.00 1.00 C ATOM 973 NE2 HIS A 60 -10.018 -5.942 -11.676 1.00 1.00 N ATOM 0 H HIS A 60 -8.917 -4.107 -7.125 1.00 1.00 H new ATOM 0 HA HIS A 60 -9.388 -7.004 -7.273 1.00 1.00 H new ATOM 0 HB2 HIS A 60 -7.113 -5.587 -8.750 1.00 1.00 H new ATOM 0 HB3 HIS A 60 -7.296 -7.322 -8.587 1.00 1.00 H new ATOM 0 HD2 HIS A 60 -8.644 -4.451 -10.824 1.00 1.00 H new ATOM 0 HE1 HIS A 60 -10.957 -7.862 -11.748 1.00 1.00 H new ATOM 0 HE2 HIS A 60 -10.436 -5.459 -12.471 1.00 1.00 H new ATOM 982 N THR A 61 -7.477 -7.349 -5.635 1.00 1.00 N ATOM 983 CA THR A 61 -6.601 -7.502 -4.464 1.00 1.00 C ATOM 984 C THR A 61 -5.147 -7.497 -4.928 1.00 1.00 C ATOM 985 O THR A 61 -4.824 -8.076 -5.966 1.00 1.00 O ATOM 986 CB THR A 61 -6.926 -8.818 -3.715 1.00 1.00 C ATOM 987 OG1 THR A 61 -8.312 -8.834 -3.408 1.00 1.00 O ATOM 988 CG2 THR A 61 -6.130 -8.907 -2.398 1.00 1.00 C ATOM 0 H THR A 61 -7.817 -8.231 -6.018 1.00 1.00 H new ATOM 0 HA THR A 61 -6.765 -6.673 -3.775 1.00 1.00 H new ATOM 0 HB THR A 61 -6.656 -9.662 -4.350 1.00 1.00 H new ATOM 0 HG1 THR A 61 -8.533 -9.663 -2.935 1.00 1.00 H new ATOM 0 HG21 THR A 61 -6.373 -9.839 -1.888 1.00 1.00 H new ATOM 0 HG22 THR A 61 -5.062 -8.881 -2.616 1.00 1.00 H new ATOM 0 HG23 THR A 61 -6.391 -8.064 -1.758 1.00 1.00 H new ATOM 996 N VAL A 62 -4.263 -6.849 -4.176 1.00 1.00 N ATOM 997 CA VAL A 62 -2.825 -6.773 -4.561 1.00 1.00 C ATOM 998 C VAL A 62 -1.921 -6.833 -3.329 1.00 1.00 C ATOM 999 O VAL A 62 -2.301 -6.444 -2.226 1.00 1.00 O ATOM 1000 CB VAL A 62 -2.554 -5.466 -5.373 1.00 1.00 C ATOM 1001 CG1 VAL A 62 -3.409 -5.449 -6.667 1.00 1.00 C ATOM 1002 CG2 VAL A 62 -2.878 -4.212 -4.520 1.00 1.00 C ATOM 0 H VAL A 62 -4.495 -6.370 -3.306 1.00 1.00 H new ATOM 0 HA VAL A 62 -2.594 -7.634 -5.189 1.00 1.00 H new ATOM 0 HB VAL A 62 -1.497 -5.447 -5.640 1.00 1.00 H new ATOM 0 HG11 VAL A 62 -3.210 -4.533 -7.223 1.00 1.00 H new ATOM 0 HG12 VAL A 62 -3.153 -6.310 -7.284 1.00 1.00 H new ATOM 0 HG13 VAL A 62 -4.466 -5.492 -6.405 1.00 1.00 H new ATOM 0 HG21 VAL A 62 -2.682 -3.313 -5.105 1.00 1.00 H new ATOM 0 HG22 VAL A 62 -3.928 -4.233 -4.227 1.00 1.00 H new ATOM 0 HG23 VAL A 62 -2.252 -4.207 -3.628 1.00 1.00 H new ATOM 1012 N LYS A 63 -0.703 -7.328 -3.531 1.00 1.00 N ATOM 1013 CA LYS A 63 0.288 -7.458 -2.448 1.00 1.00 C ATOM 1014 C LYS A 63 1.231 -6.249 -2.431 1.00 1.00 C ATOM 1015 O LYS A 63 1.576 -5.654 -3.452 1.00 1.00 O ATOM 1016 CB LYS A 63 1.097 -8.767 -2.638 1.00 1.00 C ATOM 1017 CG LYS A 63 0.150 -9.989 -2.539 1.00 1.00 C ATOM 1018 CD LYS A 63 0.947 -11.306 -2.685 1.00 1.00 C ATOM 1019 CE LYS A 63 -0.003 -12.514 -2.562 1.00 1.00 C ATOM 1020 NZ LYS A 63 -1.022 -12.452 -3.650 1.00 1.00 N ATOM 0 H LYS A 63 -0.370 -7.650 -4.440 1.00 1.00 H new ATOM 0 HA LYS A 63 -0.236 -7.495 -1.493 1.00 1.00 H new ATOM 0 HB2 LYS A 63 1.596 -8.760 -3.607 1.00 1.00 H new ATOM 0 HB3 LYS A 63 1.876 -8.837 -1.879 1.00 1.00 H new ATOM 0 HG2 LYS A 63 -0.370 -9.976 -1.581 1.00 1.00 H new ATOM 0 HG3 LYS A 63 -0.612 -9.930 -3.316 1.00 1.00 H new ATOM 0 HD2 LYS A 63 1.454 -11.329 -3.650 1.00 1.00 H new ATOM 0 HD3 LYS A 63 1.719 -11.360 -1.917 1.00 1.00 H new ATOM 0 HE2 LYS A 63 0.562 -13.444 -2.629 1.00 1.00 H new ATOM 0 HE3 LYS A 63 -0.493 -12.508 -1.588 1.00 1.00 H new ATOM 0 HZ1 LYS A 63 -1.439 -13.395 -3.790 1.00 1.00 H new ATOM 0 HZ2 LYS A 63 -1.770 -11.778 -3.387 1.00 1.00 H new ATOM 0 HZ3 LYS A 63 -0.569 -12.140 -4.533 1.00 1.00 H new ATOM 1034 N ILE A 64 1.661 -5.879 -1.230 1.00 1.00 N ATOM 1035 CA ILE A 64 2.573 -4.734 -1.030 1.00 1.00 C ATOM 1036 C ILE A 64 4.009 -5.240 -1.120 1.00 1.00 C ATOM 1037 O ILE A 64 4.333 -6.290 -0.564 1.00 1.00 O ATOM 1038 CB ILE A 64 2.314 -4.060 0.364 1.00 1.00 C ATOM 1039 CG1 ILE A 64 0.770 -3.883 0.606 1.00 1.00 C ATOM 1040 CG2 ILE A 64 3.001 -2.667 0.414 1.00 1.00 C ATOM 1041 CD1 ILE A 64 0.042 -5.212 0.950 1.00 1.00 C ATOM 0 H ILE A 64 1.396 -6.353 -0.367 1.00 1.00 H new ATOM 0 HA ILE A 64 2.396 -3.982 -1.799 1.00 1.00 H new ATOM 0 HB ILE A 64 2.729 -4.702 1.141 1.00 1.00 H new ATOM 0 HG12 ILE A 64 0.616 -3.173 1.418 1.00 1.00 H new ATOM 0 HG13 ILE A 64 0.317 -3.450 -0.286 1.00 1.00 H new ATOM 0 HG21 ILE A 64 2.817 -2.205 1.384 1.00 1.00 H new ATOM 0 HG22 ILE A 64 4.074 -2.785 0.266 1.00 1.00 H new ATOM 0 HG23 ILE A 64 2.594 -2.032 -0.373 1.00 1.00 H new ATOM 0 HD11 ILE A 64 -1.019 -5.016 1.104 1.00 1.00 H new ATOM 0 HD12 ILE A 64 0.165 -5.918 0.128 1.00 1.00 H new ATOM 0 HD13 ILE A 64 0.469 -5.636 1.859 1.00 1.00 H new ATOM 1053 N TYR A 65 4.890 -4.519 -1.806 1.00 1.00 N ATOM 1054 CA TYR A 65 6.294 -4.927 -1.960 1.00 1.00 C ATOM 1055 C TYR A 65 6.955 -5.054 -0.584 1.00 1.00 C ATOM 1056 O TYR A 65 7.615 -6.051 -0.293 1.00 1.00 O ATOM 1057 CB TYR A 65 7.062 -3.873 -2.865 1.00 1.00 C ATOM 1058 CG TYR A 65 7.527 -4.516 -4.191 1.00 1.00 C ATOM 1059 CD1 TYR A 65 8.723 -5.258 -4.230 1.00 1.00 C ATOM 1060 CD2 TYR A 65 6.753 -4.391 -5.362 1.00 1.00 C ATOM 1061 CE1 TYR A 65 9.135 -5.862 -5.423 1.00 1.00 C ATOM 1062 CE2 TYR A 65 7.173 -4.993 -6.552 1.00 1.00 C ATOM 1063 CZ TYR A 65 8.363 -5.730 -6.583 1.00 1.00 C ATOM 1064 OH TYR A 65 8.769 -6.330 -7.757 1.00 1.00 O ATOM 0 H TYR A 65 4.660 -3.641 -2.270 1.00 1.00 H new ATOM 0 HA TYR A 65 6.339 -5.899 -2.450 1.00 1.00 H new ATOM 0 HB2 TYR A 65 6.409 -3.026 -3.077 1.00 1.00 H new ATOM 0 HB3 TYR A 65 7.924 -3.483 -2.324 1.00 1.00 H new ATOM 0 HD1 TYR A 65 9.323 -5.361 -3.338 1.00 1.00 H new ATOM 0 HD2 TYR A 65 5.832 -3.828 -5.340 1.00 1.00 H new ATOM 0 HE1 TYR A 65 10.052 -6.432 -5.449 1.00 1.00 H new ATOM 0 HE2 TYR A 65 6.579 -4.889 -7.448 1.00 1.00 H new ATOM 0 HH TYR A 65 8.118 -6.139 -8.464 1.00 1.00 H new ATOM 1074 N TRP A 66 6.785 -4.038 0.256 1.00 1.00 N ATOM 1075 CA TRP A 66 7.355 -4.016 1.613 1.00 1.00 C ATOM 1076 C TRP A 66 8.898 -4.252 1.579 1.00 1.00 C ATOM 1077 O TRP A 66 9.353 -5.274 1.065 1.00 1.00 O ATOM 1078 CB TRP A 66 6.576 -5.069 2.528 1.00 1.00 C ATOM 1079 CG TRP A 66 7.430 -6.263 2.879 1.00 1.00 C ATOM 1080 CD1 TRP A 66 8.362 -6.275 3.853 1.00 1.00 C ATOM 1081 CD2 TRP A 66 7.459 -7.590 2.270 1.00 1.00 C ATOM 1082 NE1 TRP A 66 8.980 -7.512 3.868 1.00 1.00 N ATOM 1083 CE2 TRP A 66 8.456 -8.356 2.917 1.00 1.00 C ATOM 1084 CE3 TRP A 66 6.732 -8.197 1.233 1.00 1.00 C ATOM 1085 CZ2 TRP A 66 8.729 -9.671 2.547 1.00 1.00 C ATOM 1086 CZ3 TRP A 66 7.004 -9.526 0.857 1.00 1.00 C ATOM 1087 CH2 TRP A 66 8.002 -10.261 1.513 1.00 1.00 C ATOM 0 H TRP A 66 6.249 -3.202 0.022 1.00 1.00 H new ATOM 0 HA TRP A 66 7.219 -3.030 2.056 1.00 1.00 H new ATOM 0 HB2 TRP A 66 6.247 -4.578 3.444 1.00 1.00 H new ATOM 0 HB3 TRP A 66 5.680 -5.406 2.008 1.00 1.00 H new ATOM 0 HD1 TRP A 66 8.589 -5.452 4.514 1.00 1.00 H new ATOM 0 HE1 TRP A 66 9.733 -7.767 4.507 1.00 1.00 H new ATOM 0 HE3 TRP A 66 5.960 -7.641 0.721 1.00 1.00 H new ATOM 0 HZ2 TRP A 66 9.499 -10.230 3.058 1.00 1.00 H new ATOM 0 HZ3 TRP A 66 6.440 -9.983 0.057 1.00 1.00 H new ATOM 0 HH2 TRP A 66 8.207 -11.280 1.219 1.00 1.00 H new ATOM 1098 N GLN A 67 9.670 -3.329 2.144 1.00 1.00 N ATOM 1099 CA GLN A 67 11.152 -3.455 2.178 1.00 1.00 C ATOM 1100 C GLN A 67 11.693 -2.933 3.522 1.00 1.00 C ATOM 1101 O GLN A 67 11.428 -1.807 3.945 1.00 1.00 O ATOM 1102 CB GLN A 67 11.806 -2.681 0.962 1.00 1.00 C ATOM 1103 CG GLN A 67 12.858 -3.550 0.218 1.00 1.00 C ATOM 1104 CD GLN A 67 13.971 -3.963 1.178 1.00 1.00 C ATOM 1105 OE1 GLN A 67 14.034 -5.119 1.593 1.00 1.00 O ATOM 1106 NE2 GLN A 67 14.852 -3.079 1.561 1.00 1.00 N ATOM 0 H GLN A 67 9.311 -2.483 2.587 1.00 1.00 H new ATOM 0 HA GLN A 67 11.419 -4.508 2.084 1.00 1.00 H new ATOM 0 HB2 GLN A 67 11.026 -2.378 0.263 1.00 1.00 H new ATOM 0 HB3 GLN A 67 12.280 -1.769 1.325 1.00 1.00 H new ATOM 0 HG2 GLN A 67 12.380 -4.436 -0.199 1.00 1.00 H new ATOM 0 HG3 GLN A 67 13.277 -2.991 -0.618 1.00 1.00 H new ATOM 0 HE21 GLN A 67 14.797 -2.121 1.215 1.00 1.00 H new ATOM 0 HE22 GLN A 67 15.595 -3.346 2.206 1.00 1.00 H new ATOM 1115 N LEU A 68 12.476 -3.776 4.187 1.00 1.00 N ATOM 1116 CA LEU A 68 13.065 -3.421 5.510 1.00 1.00 C ATOM 1117 C LEU A 68 14.507 -4.008 5.624 1.00 1.00 C ATOM 1118 O LEU A 68 14.655 -5.225 5.524 1.00 1.00 O ATOM 1119 CB LEU A 68 12.148 -3.923 6.715 1.00 1.00 C ATOM 1120 CG LEU A 68 10.824 -4.604 6.217 1.00 1.00 C ATOM 1121 CD1 LEU A 68 11.121 -5.961 5.489 1.00 1.00 C ATOM 1122 CD2 LEU A 68 9.856 -4.805 7.413 1.00 1.00 C ATOM 0 H LEU A 68 12.726 -4.706 3.851 1.00 1.00 H new ATOM 0 HA LEU A 68 13.119 -2.335 5.579 1.00 1.00 H new ATOM 0 HB2 LEU A 68 12.710 -4.630 7.325 1.00 1.00 H new ATOM 0 HB3 LEU A 68 11.899 -3.077 7.356 1.00 1.00 H new ATOM 0 HG LEU A 68 10.346 -3.949 5.488 1.00 1.00 H new ATOM 0 HD11 LEU A 68 10.184 -6.408 5.156 1.00 1.00 H new ATOM 0 HD12 LEU A 68 11.763 -5.779 4.627 1.00 1.00 H new ATOM 0 HD13 LEU A 68 11.623 -6.641 6.177 1.00 1.00 H new ATOM 0 HD21 LEU A 68 8.938 -5.278 7.063 1.00 1.00 H new ATOM 0 HD22 LEU A 68 10.329 -5.441 8.161 1.00 1.00 H new ATOM 0 HD23 LEU A 68 9.619 -3.838 7.856 1.00 1.00 H new ATOM 1134 N PRO A 69 15.524 -3.220 5.843 1.00 1.00 N ATOM 1135 CA PRO A 69 16.926 -3.771 5.958 1.00 1.00 C ATOM 1136 C PRO A 69 17.233 -4.311 7.365 1.00 1.00 C ATOM 1137 O PRO A 69 17.936 -3.665 8.143 1.00 1.00 O ATOM 1138 CB PRO A 69 17.791 -2.539 5.603 1.00 1.00 C ATOM 1139 CG PRO A 69 17.042 -1.387 6.210 1.00 1.00 C ATOM 1140 CD PRO A 69 15.541 -1.735 6.020 1.00 1.00 C ATOM 0 HA PRO A 69 17.105 -4.630 5.312 1.00 1.00 H new ATOM 0 HB2 PRO A 69 18.796 -2.624 6.015 1.00 1.00 H new ATOM 0 HB3 PRO A 69 17.898 -2.423 4.524 1.00 1.00 H new ATOM 0 HG2 PRO A 69 17.289 -1.269 7.265 1.00 1.00 H new ATOM 0 HG3 PRO A 69 17.295 -0.449 5.716 1.00 1.00 H new ATOM 0 HD2 PRO A 69 14.950 -1.431 6.884 1.00 1.00 H new ATOM 0 HD3 PRO A 69 15.122 -1.226 5.152 1.00 1.00 H new ATOM 1148 N ALA A 70 16.720 -5.496 7.681 1.00 1.00 N ATOM 1149 CA ALA A 70 16.945 -6.111 9.000 1.00 1.00 C ATOM 1150 C ALA A 70 16.524 -7.591 9.005 1.00 1.00 C ATOM 1151 O ALA A 70 16.444 -8.248 7.966 1.00 1.00 O ATOM 1152 CB ALA A 70 16.135 -5.315 10.041 1.00 1.00 C ATOM 0 H ALA A 70 16.146 -6.054 7.049 1.00 1.00 H new ATOM 0 HA ALA A 70 18.007 -6.080 9.242 1.00 1.00 H new ATOM 0 HB1 ALA A 70 16.284 -5.751 11.029 1.00 1.00 H new ATOM 0 HB2 ALA A 70 16.470 -4.278 10.047 1.00 1.00 H new ATOM 0 HB3 ALA A 70 15.076 -5.352 9.784 1.00 1.00 H new ATOM 1158 N GLY A 71 16.241 -8.109 10.195 1.00 1.00 N ATOM 1159 CA GLY A 71 15.818 -9.514 10.392 1.00 1.00 C ATOM 1160 C GLY A 71 14.344 -9.571 10.760 1.00 1.00 C ATOM 1161 O GLY A 71 13.957 -10.195 11.748 1.00 1.00 O ATOM 0 H GLY A 71 16.295 -7.574 11.062 1.00 1.00 H new ATOM 0 HA2 GLY A 71 15.995 -10.086 9.481 1.00 1.00 H new ATOM 0 HA3 GLY A 71 16.415 -9.974 11.179 1.00 1.00 H new ATOM 1165 N ILE A 72 13.517 -8.910 9.957 1.00 1.00 N ATOM 1166 CA ILE A 72 12.056 -8.861 10.182 1.00 1.00 C ATOM 1167 C ILE A 72 11.337 -9.889 9.304 1.00 1.00 C ATOM 1168 O ILE A 72 11.656 -10.075 8.128 1.00 1.00 O ATOM 1169 CB ILE A 72 11.509 -7.436 9.863 1.00 1.00 C ATOM 1170 CG1 ILE A 72 12.177 -6.361 10.808 1.00 1.00 C ATOM 1171 CG2 ILE A 72 9.947 -7.412 10.014 1.00 1.00 C ATOM 1172 CD1 ILE A 72 11.539 -6.294 12.220 1.00 1.00 C ATOM 0 H ILE A 72 13.826 -8.393 9.134 1.00 1.00 H new ATOM 0 HA ILE A 72 11.867 -9.097 11.229 1.00 1.00 H new ATOM 0 HB ILE A 72 11.763 -7.186 8.833 1.00 1.00 H new ATOM 0 HG12 ILE A 72 13.239 -6.587 10.908 1.00 1.00 H new ATOM 0 HG13 ILE A 72 12.103 -5.380 10.338 1.00 1.00 H new ATOM 0 HG21 ILE A 72 9.575 -6.412 9.789 1.00 1.00 H new ATOM 0 HG22 ILE A 72 9.504 -8.128 9.322 1.00 1.00 H new ATOM 0 HG23 ILE A 72 9.676 -7.679 11.036 1.00 1.00 H new ATOM 0 HD11 ILE A 72 12.048 -5.535 12.814 1.00 1.00 H new ATOM 0 HD12 ILE A 72 10.483 -6.037 12.131 1.00 1.00 H new ATOM 0 HD13 ILE A 72 11.637 -7.263 12.710 1.00 1.00 H new ATOM 1184 N GLU A 73 10.350 -10.556 9.892 1.00 1.00 N ATOM 1185 CA GLU A 73 9.541 -11.583 9.183 1.00 1.00 C ATOM 1186 C GLU A 73 8.075 -11.121 9.062 1.00 1.00 C ATOM 1187 O GLU A 73 7.429 -10.747 10.041 1.00 1.00 O ATOM 1188 CB GLU A 73 9.608 -12.915 9.964 1.00 1.00 C ATOM 1189 CG GLU A 73 11.067 -13.427 10.052 1.00 1.00 C ATOM 1190 CD GLU A 73 11.630 -13.752 8.664 1.00 1.00 C ATOM 1191 OE1 GLU A 73 10.987 -14.501 7.949 1.00 1.00 O ATOM 1192 OE2 GLU A 73 12.694 -13.245 8.340 1.00 1.00 O ATOM 0 H GLU A 73 10.077 -10.414 10.864 1.00 1.00 H new ATOM 0 HA GLU A 73 9.944 -11.725 8.180 1.00 1.00 H new ATOM 0 HB2 GLU A 73 9.206 -12.774 10.967 1.00 1.00 H new ATOM 0 HB3 GLU A 73 8.985 -13.662 9.473 1.00 1.00 H new ATOM 0 HG2 GLU A 73 11.691 -12.673 10.532 1.00 1.00 H new ATOM 0 HG3 GLU A 73 11.105 -14.318 10.679 1.00 1.00 H new ATOM 1199 N MET A 74 7.545 -11.155 7.844 1.00 1.00 N ATOM 1200 CA MET A 74 6.151 -10.741 7.587 1.00 1.00 C ATOM 1201 C MET A 74 5.187 -11.774 8.200 1.00 1.00 C ATOM 1202 O MET A 74 5.029 -12.877 7.677 1.00 1.00 O ATOM 1203 CB MET A 74 5.896 -10.600 6.041 1.00 1.00 C ATOM 1204 CG MET A 74 6.619 -11.722 5.253 1.00 1.00 C ATOM 1205 SD MET A 74 6.087 -11.703 3.523 1.00 1.00 S ATOM 1206 CE MET A 74 7.027 -13.157 2.999 1.00 1.00 C ATOM 0 H MET A 74 8.051 -11.463 7.014 1.00 1.00 H new ATOM 0 HA MET A 74 5.975 -9.770 8.050 1.00 1.00 H new ATOM 0 HB2 MET A 74 4.825 -10.642 5.840 1.00 1.00 H new ATOM 0 HB3 MET A 74 6.247 -9.626 5.698 1.00 1.00 H new ATOM 0 HG2 MET A 74 7.698 -11.582 5.312 1.00 1.00 H new ATOM 0 HG3 MET A 74 6.399 -12.692 5.699 1.00 1.00 H new ATOM 0 HE1 MET A 74 6.850 -13.342 1.940 1.00 1.00 H new ATOM 0 HE2 MET A 74 8.090 -12.982 3.164 1.00 1.00 H new ATOM 0 HE3 MET A 74 6.708 -14.024 3.577 1.00 1.00 H new ATOM 1216 N VAL A 75 4.526 -11.421 9.298 1.00 1.00 N ATOM 1217 CA VAL A 75 3.587 -12.355 9.951 1.00 1.00 C ATOM 1218 C VAL A 75 2.479 -12.724 8.986 1.00 1.00 C ATOM 1219 O VAL A 75 2.470 -13.831 8.447 1.00 1.00 O ATOM 1220 CB VAL A 75 2.970 -11.719 11.230 1.00 1.00 C ATOM 1221 CG1 VAL A 75 1.945 -12.674 11.919 1.00 1.00 C ATOM 1222 CG2 VAL A 75 4.106 -11.374 12.234 1.00 1.00 C ATOM 0 H VAL A 75 4.613 -10.514 9.755 1.00 1.00 H new ATOM 0 HA VAL A 75 4.139 -13.250 10.239 1.00 1.00 H new ATOM 0 HB VAL A 75 2.438 -10.816 10.930 1.00 1.00 H new ATOM 0 HG11 VAL A 75 1.538 -12.191 12.808 1.00 1.00 H new ATOM 0 HG12 VAL A 75 1.135 -12.900 11.226 1.00 1.00 H new ATOM 0 HG13 VAL A 75 2.445 -13.599 12.206 1.00 1.00 H new ATOM 0 HG21 VAL A 75 3.676 -10.928 13.131 1.00 1.00 H new ATOM 0 HG22 VAL A 75 4.643 -12.284 12.503 1.00 1.00 H new ATOM 0 HG23 VAL A 75 4.797 -10.668 11.773 1.00 1.00 H new ATOM 1232 N SER A 76 1.532 -11.817 8.766 1.00 1.00 N ATOM 1233 CA SER A 76 0.406 -12.065 7.882 1.00 1.00 C ATOM 1234 C SER A 76 -0.374 -10.790 7.655 1.00 1.00 C ATOM 1235 O SER A 76 -0.369 -9.909 8.514 1.00 1.00 O ATOM 1236 CB SER A 76 -0.527 -13.053 8.565 1.00 1.00 C ATOM 1237 OG SER A 76 -1.605 -13.363 7.686 1.00 1.00 O ATOM 0 H SER A 76 1.527 -10.892 9.196 1.00 1.00 H new ATOM 0 HA SER A 76 0.777 -12.447 6.931 1.00 1.00 H new ATOM 0 HB2 SER A 76 0.015 -13.961 8.829 1.00 1.00 H new ATOM 0 HB3 SER A 76 -0.909 -12.629 9.493 1.00 1.00 H new ATOM 0 HG SER A 76 -2.209 -14.001 8.121 1.00 1.00 H new ATOM 1243 N ILE A 77 -1.053 -10.688 6.517 1.00 1.00 N ATOM 1244 CA ILE A 77 -1.916 -9.517 6.241 1.00 1.00 C ATOM 1245 C ILE A 77 -1.081 -8.203 6.248 1.00 1.00 C ATOM 1246 O ILE A 77 0.064 -8.259 6.698 1.00 1.00 O ATOM 1247 CB ILE A 77 -3.159 -9.522 7.303 1.00 1.00 C ATOM 1248 CG1 ILE A 77 -2.940 -8.559 8.540 1.00 1.00 C ATOM 1249 CG2 ILE A 77 -3.475 -10.965 7.816 1.00 1.00 C ATOM 1250 CD1 ILE A 77 -4.200 -8.484 9.420 1.00 1.00 C ATOM 0 H ILE A 77 -1.032 -11.385 5.773 1.00 1.00 H new ATOM 0 HA ILE A 77 -2.343 -9.577 5.240 1.00 1.00 H new ATOM 0 HB ILE A 77 -4.011 -9.141 6.740 1.00 1.00 H new ATOM 0 HG12 ILE A 77 -2.099 -8.914 9.135 1.00 1.00 H new ATOM 0 HG13 ILE A 77 -2.681 -7.561 8.186 1.00 1.00 H new ATOM 0 HG21 ILE A 77 -4.307 -10.927 8.520 1.00 1.00 H new ATOM 0 HG22 ILE A 77 -3.742 -11.601 6.972 1.00 1.00 H new ATOM 0 HG23 ILE A 77 -2.596 -11.374 8.315 1.00 1.00 H new ATOM 0 HD11 ILE A 77 -4.017 -7.815 10.261 1.00 1.00 H new ATOM 0 HD12 ILE A 77 -5.034 -8.105 8.829 1.00 1.00 H new ATOM 0 HD13 ILE A 77 -4.442 -9.479 9.794 1.00 1.00 H new ATOM 1262 N PRO A 78 -1.605 -7.072 5.868 1.00 1.00 N ATOM 1263 CA PRO A 78 -2.984 -6.858 5.302 1.00 1.00 C ATOM 1264 C PRO A 78 -2.975 -6.776 3.787 1.00 1.00 C ATOM 1265 O PRO A 78 -1.995 -6.361 3.167 1.00 1.00 O ATOM 1266 CB PRO A 78 -3.390 -5.511 5.908 1.00 1.00 C ATOM 1267 CG PRO A 78 -2.093 -4.718 5.955 1.00 1.00 C ATOM 1268 CD PRO A 78 -0.919 -5.760 5.923 1.00 1.00 C ATOM 0 HA PRO A 78 -3.664 -7.677 5.537 1.00 1.00 H new ATOM 0 HB2 PRO A 78 -4.141 -5.010 5.298 1.00 1.00 H new ATOM 0 HB3 PRO A 78 -3.818 -5.634 6.903 1.00 1.00 H new ATOM 0 HG2 PRO A 78 -2.027 -4.036 5.108 1.00 1.00 H new ATOM 0 HG3 PRO A 78 -2.045 -4.110 6.858 1.00 1.00 H new ATOM 0 HD2 PRO A 78 -0.275 -5.610 5.056 1.00 1.00 H new ATOM 0 HD3 PRO A 78 -0.287 -5.677 6.807 1.00 1.00 H new ATOM 1276 N ASP A 79 -4.101 -7.145 3.185 1.00 1.00 N ATOM 1277 CA ASP A 79 -4.265 -7.099 1.736 1.00 1.00 C ATOM 1278 C ASP A 79 -4.825 -5.733 1.372 1.00 1.00 C ATOM 1279 O ASP A 79 -5.430 -5.025 2.178 1.00 1.00 O ATOM 1280 CB ASP A 79 -5.210 -8.236 1.246 1.00 1.00 C ATOM 1281 CG ASP A 79 -4.913 -9.532 2.009 1.00 1.00 C ATOM 1282 OD1 ASP A 79 -3.923 -10.171 1.691 1.00 1.00 O ATOM 1283 OD2 ASP A 79 -5.676 -9.860 2.901 1.00 1.00 O ATOM 0 H ASP A 79 -4.923 -7.483 3.686 1.00 1.00 H new ATOM 0 HA ASP A 79 -3.303 -7.252 1.246 1.00 1.00 H new ATOM 0 HB2 ASP A 79 -6.250 -7.946 1.397 1.00 1.00 H new ATOM 0 HB3 ASP A 79 -5.076 -8.396 0.176 1.00 1.00 H new ATOM 1288 N VAL A 80 -4.615 -5.327 0.124 1.00 1.00 N ATOM 1289 CA VAL A 80 -5.105 -4.008 -0.343 1.00 1.00 C ATOM 1290 C VAL A 80 -6.171 -4.199 -1.424 1.00 1.00 C ATOM 1291 O VAL A 80 -5.966 -4.872 -2.435 1.00 1.00 O ATOM 1292 CB VAL A 80 -3.925 -3.146 -0.870 1.00 1.00 C ATOM 1293 CG1 VAL A 80 -4.414 -1.706 -1.188 1.00 1.00 C ATOM 1294 CG2 VAL A 80 -2.813 -3.086 0.202 1.00 1.00 C ATOM 0 H VAL A 80 -4.119 -5.872 -0.581 1.00 1.00 H new ATOM 0 HA VAL A 80 -5.557 -3.480 0.497 1.00 1.00 H new ATOM 0 HB VAL A 80 -3.534 -3.598 -1.782 1.00 1.00 H new ATOM 0 HG11 VAL A 80 -3.578 -1.111 -1.557 1.00 1.00 H new ATOM 0 HG12 VAL A 80 -5.194 -1.746 -1.948 1.00 1.00 H new ATOM 0 HG13 VAL A 80 -4.813 -1.249 -0.283 1.00 1.00 H new ATOM 0 HG21 VAL A 80 -1.984 -2.481 -0.167 1.00 1.00 H new ATOM 0 HG22 VAL A 80 -3.210 -2.640 1.114 1.00 1.00 H new ATOM 0 HG23 VAL A 80 -2.459 -4.095 0.416 1.00 1.00 H new ATOM 1304 N THR A 81 -7.321 -3.569 -1.209 1.00 1.00 N ATOM 1305 CA THR A 81 -8.454 -3.641 -2.158 1.00 1.00 C ATOM 1306 C THR A 81 -9.096 -2.253 -2.283 1.00 1.00 C ATOM 1307 O THR A 81 -9.535 -1.654 -1.301 1.00 1.00 O ATOM 1308 CB THR A 81 -9.490 -4.682 -1.654 1.00 1.00 C ATOM 1309 OG1 THR A 81 -8.807 -5.881 -1.310 1.00 1.00 O ATOM 1310 CG2 THR A 81 -10.526 -5.002 -2.756 1.00 1.00 C ATOM 0 H THR A 81 -7.505 -2.997 -0.385 1.00 1.00 H new ATOM 0 HA THR A 81 -8.099 -3.955 -3.140 1.00 1.00 H new ATOM 0 HB THR A 81 -10.009 -4.269 -0.789 1.00 1.00 H new ATOM 0 HG1 THR A 81 -9.453 -6.545 -0.989 1.00 1.00 H new ATOM 0 HG21 THR A 81 -11.242 -5.733 -2.381 1.00 1.00 H new ATOM 0 HG22 THR A 81 -11.052 -4.090 -3.036 1.00 1.00 H new ATOM 0 HG23 THR A 81 -10.015 -5.409 -3.629 1.00 1.00 H new ATOM 1318 N TYR A 82 -9.156 -1.747 -3.511 1.00 1.00 N ATOM 1319 CA TYR A 82 -9.743 -0.425 -3.778 1.00 1.00 C ATOM 1320 C TYR A 82 -10.498 -0.437 -5.090 1.00 1.00 C ATOM 1321 O TYR A 82 -10.654 -1.460 -5.757 1.00 1.00 O ATOM 1322 CB TYR A 82 -8.629 0.644 -3.787 1.00 1.00 C ATOM 1323 CG TYR A 82 -7.589 0.348 -4.884 1.00 1.00 C ATOM 1324 CD1 TYR A 82 -6.656 -0.688 -4.704 1.00 1.00 C ATOM 1325 CD2 TYR A 82 -7.545 1.115 -6.068 1.00 1.00 C ATOM 1326 CE1 TYR A 82 -5.695 -0.951 -5.688 1.00 1.00 C ATOM 1327 CE2 TYR A 82 -6.580 0.842 -7.047 1.00 1.00 C ATOM 1328 CZ TYR A 82 -5.658 -0.187 -6.856 1.00 1.00 C ATOM 1329 OH TYR A 82 -4.707 -0.450 -7.823 1.00 1.00 O ATOM 0 H TYR A 82 -8.807 -2.227 -4.341 1.00 1.00 H new ATOM 0 HA TYR A 82 -10.453 -0.180 -2.988 1.00 1.00 H new ATOM 0 HB2 TYR A 82 -9.066 1.629 -3.952 1.00 1.00 H new ATOM 0 HB3 TYR A 82 -8.139 0.672 -2.814 1.00 1.00 H new ATOM 0 HD1 TYR A 82 -6.680 -1.283 -3.803 1.00 1.00 H new ATOM 0 HD2 TYR A 82 -8.256 1.914 -6.220 1.00 1.00 H new ATOM 0 HE1 TYR A 82 -4.980 -1.747 -5.543 1.00 1.00 H new ATOM 0 HE2 TYR A 82 -6.550 1.430 -7.952 1.00 1.00 H new ATOM 0 HH TYR A 82 -4.821 0.172 -8.572 1.00 1.00 H new ATOM 1339 N THR A 83 -11.001 0.725 -5.494 1.00 1.00 N ATOM 1340 CA THR A 83 -11.780 0.856 -6.757 1.00 1.00 C ATOM 1341 C THR A 83 -11.190 1.948 -7.651 1.00 1.00 C ATOM 1342 O THR A 83 -11.214 3.132 -7.318 1.00 1.00 O ATOM 1343 CB THR A 83 -13.256 1.177 -6.408 1.00 1.00 C ATOM 1344 OG1 THR A 83 -13.735 0.195 -5.500 1.00 1.00 O ATOM 1345 CG2 THR A 83 -14.148 1.157 -7.671 1.00 1.00 C ATOM 0 H THR A 83 -10.893 1.598 -4.978 1.00 1.00 H new ATOM 0 HA THR A 83 -11.731 -0.083 -7.308 1.00 1.00 H new ATOM 0 HB THR A 83 -13.298 2.173 -5.968 1.00 1.00 H new ATOM 0 HG1 THR A 83 -14.668 0.389 -5.271 1.00 1.00 H new ATOM 0 HG21 THR A 83 -15.177 1.386 -7.393 1.00 1.00 H new ATOM 0 HG22 THR A 83 -13.790 1.902 -8.381 1.00 1.00 H new ATOM 0 HG23 THR A 83 -14.107 0.169 -8.130 1.00 1.00 H new ATOM 1353 N LEU A 84 -10.673 1.547 -8.809 1.00 1.00 N ATOM 1354 CA LEU A 84 -10.074 2.494 -9.772 1.00 1.00 C ATOM 1355 C LEU A 84 -11.135 2.933 -10.782 1.00 1.00 C ATOM 1356 O LEU A 84 -11.906 2.122 -11.295 1.00 1.00 O ATOM 1357 CB LEU A 84 -8.873 1.820 -10.497 1.00 1.00 C ATOM 1358 CG LEU A 84 -8.080 2.822 -11.407 1.00 1.00 C ATOM 1359 CD1 LEU A 84 -7.531 4.051 -10.602 1.00 1.00 C ATOM 1360 CD2 LEU A 84 -6.894 2.072 -12.089 1.00 1.00 C ATOM 0 H LEU A 84 -10.652 0.573 -9.113 1.00 1.00 H new ATOM 0 HA LEU A 84 -9.708 3.373 -9.242 1.00 1.00 H new ATOM 0 HB2 LEU A 84 -8.197 1.395 -9.755 1.00 1.00 H new ATOM 0 HB3 LEU A 84 -9.238 0.993 -11.106 1.00 1.00 H new ATOM 0 HG LEU A 84 -8.771 3.206 -12.157 1.00 1.00 H new ATOM 0 HD11 LEU A 84 -6.990 4.715 -11.276 1.00 1.00 H new ATOM 0 HD12 LEU A 84 -8.363 4.591 -10.151 1.00 1.00 H new ATOM 0 HD13 LEU A 84 -6.858 3.702 -9.819 1.00 1.00 H new ATOM 0 HD21 LEU A 84 -6.341 2.766 -12.722 1.00 1.00 H new ATOM 0 HD22 LEU A 84 -6.230 1.670 -11.324 1.00 1.00 H new ATOM 0 HD23 LEU A 84 -7.282 1.255 -12.698 1.00 1.00 H new ATOM 1372 N LYS A 85 -11.183 4.228 -11.075 1.00 1.00 N ATOM 1373 CA LYS A 85 -12.154 4.794 -12.031 1.00 1.00 C ATOM 1374 C LYS A 85 -11.492 5.884 -12.872 1.00 1.00 C ATOM 1375 O LYS A 85 -10.428 6.418 -12.556 1.00 1.00 O ATOM 1376 CB LYS A 85 -13.403 5.344 -11.264 1.00 1.00 C ATOM 1377 CG LYS A 85 -14.393 4.193 -10.929 1.00 1.00 C ATOM 1378 CD LYS A 85 -15.593 4.732 -10.122 1.00 1.00 C ATOM 1379 CE LYS A 85 -16.589 3.593 -9.829 1.00 1.00 C ATOM 1380 NZ LYS A 85 -17.094 3.040 -11.119 1.00 1.00 N ATOM 0 H LYS A 85 -10.557 4.920 -10.664 1.00 1.00 H new ATOM 0 HA LYS A 85 -12.492 4.009 -12.708 1.00 1.00 H new ATOM 0 HB2 LYS A 85 -13.084 5.835 -10.345 1.00 1.00 H new ATOM 0 HB3 LYS A 85 -13.905 6.098 -11.870 1.00 1.00 H new ATOM 0 HG2 LYS A 85 -14.745 3.729 -11.850 1.00 1.00 H new ATOM 0 HG3 LYS A 85 -13.881 3.419 -10.357 1.00 1.00 H new ATOM 0 HD2 LYS A 85 -15.245 5.170 -9.187 1.00 1.00 H new ATOM 0 HD3 LYS A 85 -16.090 5.525 -10.680 1.00 1.00 H new ATOM 0 HE2 LYS A 85 -16.103 2.809 -9.249 1.00 1.00 H new ATOM 0 HE3 LYS A 85 -17.419 3.965 -9.229 1.00 1.00 H new ATOM 0 HZ1 LYS A 85 -17.967 2.502 -10.948 1.00 1.00 H new ATOM 0 HZ2 LYS A 85 -17.291 3.820 -11.778 1.00 1.00 H new ATOM 0 HZ3 LYS A 85 -16.376 2.412 -11.532 1.00 1.00 H new ATOM 1394 N ALA A 86 -12.153 6.223 -13.975 1.00 1.00 N ATOM 1395 CA ALA A 86 -11.668 7.238 -14.909 1.00 1.00 C ATOM 1396 C ALA A 86 -11.702 8.624 -14.277 1.00 1.00 C ATOM 1397 O ALA A 86 -12.545 8.915 -13.428 1.00 1.00 O ATOM 1398 CB ALA A 86 -12.540 7.213 -16.176 1.00 1.00 C ATOM 0 H ALA A 86 -13.041 5.802 -14.248 1.00 1.00 H new ATOM 0 HA ALA A 86 -10.633 7.014 -15.167 1.00 1.00 H new ATOM 0 HB1 ALA A 86 -12.184 7.968 -16.877 1.00 1.00 H new ATOM 0 HB2 ALA A 86 -12.479 6.229 -16.640 1.00 1.00 H new ATOM 0 HB3 ALA A 86 -13.575 7.425 -15.909 1.00 1.00 H new ATOM 1404 N LYS A 87 -10.776 9.481 -14.692 1.00 1.00 N ATOM 1405 CA LYS A 87 -10.691 10.842 -14.177 1.00 1.00 C ATOM 1406 C LYS A 87 -11.955 11.636 -14.523 1.00 1.00 C ATOM 1407 O LYS A 87 -12.370 11.695 -15.680 1.00 1.00 O ATOM 1408 CB LYS A 87 -9.442 11.539 -14.773 1.00 1.00 C ATOM 1409 CG LYS A 87 -9.213 12.973 -14.138 1.00 1.00 C ATOM 1410 CD LYS A 87 -9.649 14.088 -15.123 1.00 1.00 C ATOM 1411 CE LYS A 87 -9.517 15.470 -14.460 1.00 1.00 C ATOM 1412 NZ LYS A 87 -8.113 15.677 -14.013 1.00 1.00 N ATOM 0 H LYS A 87 -10.068 9.254 -15.390 1.00 1.00 H new ATOM 0 HA LYS A 87 -10.604 10.803 -13.091 1.00 1.00 H new ATOM 0 HB2 LYS A 87 -8.562 10.919 -14.600 1.00 1.00 H new ATOM 0 HB3 LYS A 87 -9.558 11.633 -15.853 1.00 1.00 H new ATOM 0 HG2 LYS A 87 -9.779 13.059 -13.210 1.00 1.00 H new ATOM 0 HG3 LYS A 87 -8.161 13.099 -13.882 1.00 1.00 H new ATOM 0 HD2 LYS A 87 -9.034 14.049 -16.022 1.00 1.00 H new ATOM 0 HD3 LYS A 87 -10.681 13.924 -15.435 1.00 1.00 H new ATOM 0 HE2 LYS A 87 -9.804 16.251 -15.164 1.00 1.00 H new ATOM 0 HE3 LYS A 87 -10.195 15.543 -13.609 1.00 1.00 H new ATOM 0 HZ1 LYS A 87 -7.956 16.686 -13.818 1.00 1.00 H new ATOM 0 HZ2 LYS A 87 -7.939 15.126 -13.148 1.00 1.00 H new ATOM 0 HZ3 LYS A 87 -7.461 15.363 -14.760 1.00 1.00 H new