USER MOD reduce.3.24.130724 H: found=0, std=0, add=1024, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1023 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 79 SER OG : rot -154:sc= -1.3 USER MOD Set 1.2: A 85 HIS : no HD1:sc= -16.3! C(o=-18!,f=-26!) USER MOD Set 2.1: A 58 TYR OH : rot -138:sc= -2.72! USER MOD Set 2.2: A 59 MET CE :methyl -172:sc= -18.6! (180deg=-15.7!) USER MOD Set 3.1: A 32 GLN : amide:sc= -2.41 K(o=-2.4,f=-8.8!) USER MOD Set 3.2: A 35 LYS NZ :NH3+ -171:sc= 0 (180deg=0) USER MOD Set 4.1: A 24 ASN :FLIP amide:sc= -2.66! C(o=-9!,f=-7.4!) USER MOD Set 4.2: A 27 SER OG : rot -140:sc= -4.72! USER MOD Single : A 10 GLN : amide:sc= -0.0242 X(o=-0.024,f=-0.2) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 32:sc= 0.301 USER MOD Single : A 18 THR OG1 : rot 160:sc= -1.59 USER MOD Single : A 19 ASN : amide:sc= -1.12 K(o=-1.1,f=-3) USER MOD Single : A 23 SER OG : rot 180:sc= -0.538 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -8.64! C(o=-8.6!,f=-10!) USER MOD Single : A 29 LYS NZ :NH3+ -156:sc= -6.32! (180deg=-7.47!) USER MOD Single : A 30 CYS SG : rot -50:sc= -4.65! USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 HIS :FLIP no HD1:sc= -3.49! C(o=-4.1!,f=-3.5!) USER MOD Single : A 48 ASN : amide:sc= -7.72! C(o=-7.7!,f=-14!) USER MOD Single : A 52 THR OG1 : rot -149:sc= -3.8! USER MOD Single : A 55 GLN : amide:sc= -0.304 K(o=-0.3,f=-1.5!) USER MOD Single : A 57 GLN : amide:sc= -0.392 K(o=-0.39,f=-2.8!) USER MOD Single : A 61 THR OG1 : rot 75:sc= 0.86 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 CYS SG : rot 180:sc= -1.57 USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 69 SER OG : rot -84:sc= 0.646 USER MOD Single : A 71 GLN :FLIP amide:sc= -13.3! C(o=-14!,f=-13!) USER MOD Single : A 73 GLN : amide:sc= -6.61! C(o=-6.6!,f=-12!) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 MET CE :methyl -139:sc= -15.8! (180deg=-20.8!) USER MOD Single : A 95 GLN : amide:sc= -3.16! C(o=-3.2!,f=-5.4!) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 CYS SG : rot -106:sc= -6.67! USER MOD Single : A 99 GLN :FLIP amide:sc= -5.77! C(o=-9.1!,f=-5.8!) USER MOD Single : A 104 ASN : amide:sc= -1.82! X(o=-1.8!,f=-1.4) USER MOD Single : A 106 LYS NZ :NH3+ -125:sc= -1.78! (180deg=-2.74!) USER MOD Single : A 115 ASN : amide:sc= -28.7! C(o=-29!,f=-37!) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 ASN : amide:sc= -5.75! C(o=-5.8!,f=-13!) USER MOD Single : A 127 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0647) USER MOD Single : A 128 TYR OH : rot 180:sc= 0.00577 USER MOD Single : A 131 GLN :FLIP amide:sc= -11.7! C(o=-15!,f=-12!) USER MOD Single : A 133 LYS NZ :NH3+ -157:sc= -0.0245 (180deg=-0.731) USER MOD ----------------------------------------------------------------- ATOM 169 N GLN A 10 9.913 -12.661 10.306 1.00 0.00 N ATOM 170 CA GLN A 10 10.541 -12.458 9.012 1.00 0.00 C ATOM 171 C GLN A 10 9.477 -12.323 7.921 1.00 0.00 C ATOM 172 O GLN A 10 8.603 -13.178 7.793 1.00 0.00 O ATOM 173 CB GLN A 10 11.515 -13.593 8.691 1.00 0.00 C ATOM 174 CG GLN A 10 12.964 -13.150 8.907 1.00 0.00 C ATOM 175 CD GLN A 10 13.926 -13.996 8.071 1.00 0.00 C ATOM 176 OE1 GLN A 10 13.756 -14.178 6.876 1.00 0.00 O ATOM 177 NE2 GLN A 10 14.944 -14.500 8.762 1.00 0.00 N ATOM 0 HA GLN A 10 11.114 -11.532 9.050 1.00 0.00 H new ATOM 0 HB2 GLN A 10 11.296 -14.454 9.322 1.00 0.00 H new ATOM 0 HB3 GLN A 10 11.379 -13.913 7.658 1.00 0.00 H new ATOM 0 HG2 GLN A 10 13.071 -12.099 8.638 1.00 0.00 H new ATOM 0 HG3 GLN A 10 13.221 -13.237 9.963 1.00 0.00 H new ATOM 0 HE21 GLN A 10 15.027 -14.309 9.760 1.00 0.00 H new ATOM 0 HE22 GLN A 10 15.642 -15.078 8.294 1.00 0.00 H new ATOM 186 N PRO A 11 9.590 -11.213 7.143 1.00 0.00 N ATOM 187 CA PRO A 11 8.648 -10.955 6.067 1.00 0.00 C ATOM 188 C PRO A 11 8.922 -11.866 4.868 1.00 0.00 C ATOM 189 O PRO A 11 10.066 -12.239 4.616 1.00 0.00 O ATOM 190 CB PRO A 11 8.816 -9.480 5.742 1.00 0.00 C ATOM 191 CG PRO A 11 10.162 -9.076 6.321 1.00 0.00 C ATOM 192 CD PRO A 11 10.612 -10.179 7.266 1.00 0.00 C ATOM 0 HA PRO A 11 7.618 -11.172 6.349 1.00 0.00 H new ATOM 0 HB2 PRO A 11 8.788 -9.312 4.665 1.00 0.00 H new ATOM 0 HB3 PRO A 11 8.010 -8.890 6.178 1.00 0.00 H new ATOM 0 HG2 PRO A 11 10.893 -8.933 5.525 1.00 0.00 H new ATOM 0 HG3 PRO A 11 10.080 -8.128 6.852 1.00 0.00 H new ATOM 0 HD2 PRO A 11 11.595 -10.560 6.990 1.00 0.00 H new ATOM 0 HD3 PRO A 11 10.687 -9.816 8.291 1.00 0.00 H new ATOM 200 N ARG A 12 7.851 -12.198 4.161 1.00 0.00 N ATOM 201 CA ARG A 12 7.962 -13.058 2.995 1.00 0.00 C ATOM 202 C ARG A 12 7.451 -12.332 1.749 1.00 0.00 C ATOM 203 O ARG A 12 8.223 -11.682 1.045 1.00 0.00 O ATOM 204 CB ARG A 12 7.165 -14.350 3.186 1.00 0.00 C ATOM 205 CG ARG A 12 8.084 -15.507 3.583 1.00 0.00 C ATOM 206 CD ARG A 12 8.638 -15.308 4.995 1.00 0.00 C ATOM 207 NE ARG A 12 9.960 -15.962 5.117 1.00 0.00 N ATOM 208 CZ ARG A 12 10.571 -16.210 6.284 1.00 0.00 C ATOM 209 NH1 ARG A 12 9.983 -15.859 7.436 1.00 0.00 N ATOM 210 NH2 ARG A 12 11.770 -16.808 6.299 1.00 0.00 N ATOM 0 H ARG A 12 6.903 -11.887 4.373 1.00 0.00 H new ATOM 0 HA ARG A 12 9.015 -13.309 2.867 1.00 0.00 H new ATOM 0 HB2 ARG A 12 6.406 -14.203 3.955 1.00 0.00 H new ATOM 0 HB3 ARG A 12 6.640 -14.598 2.263 1.00 0.00 H new ATOM 0 HG2 ARG A 12 7.534 -16.447 3.534 1.00 0.00 H new ATOM 0 HG3 ARG A 12 8.907 -15.582 2.873 1.00 0.00 H new ATOM 0 HD2 ARG A 12 8.728 -14.244 5.212 1.00 0.00 H new ATOM 0 HD3 ARG A 12 7.947 -15.726 5.728 1.00 0.00 H new ATOM 0 HE ARG A 12 10.436 -16.242 4.259 1.00 0.00 H new ATOM 0 HH11 ARG A 12 9.071 -15.403 7.425 1.00 0.00 H new ATOM 0 HH12 ARG A 12 10.448 -16.048 8.324 1.00 0.00 H new ATOM 0 HH21 ARG A 12 12.218 -17.075 5.422 1.00 0.00 H new ATOM 0 HH22 ARG A 12 12.235 -16.997 7.187 1.00 0.00 H new ATOM 224 N THR A 13 6.154 -12.466 1.515 1.00 0.00 N ATOM 225 CA THR A 13 5.531 -11.830 0.367 1.00 0.00 C ATOM 226 C THR A 13 5.026 -10.434 0.738 1.00 0.00 C ATOM 227 O THR A 13 4.197 -10.289 1.635 1.00 0.00 O ATOM 228 CB THR A 13 4.429 -12.758 -0.147 1.00 0.00 C ATOM 229 OG1 THR A 13 5.137 -13.850 -0.727 1.00 0.00 O ATOM 230 CG2 THR A 13 3.652 -12.153 -1.318 1.00 0.00 C ATOM 0 H THR A 13 5.517 -13.006 2.101 1.00 0.00 H new ATOM 0 HA THR A 13 6.250 -11.677 -0.438 1.00 0.00 H new ATOM 0 HB THR A 13 3.740 -12.987 0.666 1.00 0.00 H new ATOM 0 HG1 THR A 13 4.498 -14.501 -1.084 1.00 0.00 H new ATOM 0 HG21 THR A 13 2.882 -12.853 -1.644 1.00 0.00 H new ATOM 0 HG22 THR A 13 3.184 -11.221 -1.001 1.00 0.00 H new ATOM 0 HG23 THR A 13 4.335 -11.954 -2.144 1.00 0.00 H new ATOM 238 N ILE A 14 5.548 -9.444 0.030 1.00 0.00 N ATOM 239 CA ILE A 14 5.160 -8.065 0.274 1.00 0.00 C ATOM 240 C ILE A 14 4.076 -7.659 -0.727 1.00 0.00 C ATOM 241 O ILE A 14 4.288 -7.724 -1.937 1.00 0.00 O ATOM 242 CB ILE A 14 6.388 -7.152 0.254 1.00 0.00 C ATOM 243 CG1 ILE A 14 7.640 -7.907 0.702 1.00 0.00 C ATOM 244 CG2 ILE A 14 6.148 -5.893 1.090 1.00 0.00 C ATOM 245 CD1 ILE A 14 7.493 -8.408 2.140 1.00 0.00 C ATOM 0 H ILE A 14 6.236 -9.569 -0.712 1.00 0.00 H new ATOM 0 HA ILE A 14 4.729 -7.961 1.270 1.00 0.00 H new ATOM 0 HB ILE A 14 6.557 -6.829 -0.773 1.00 0.00 H new ATOM 0 HG12 ILE A 14 7.818 -8.751 0.036 1.00 0.00 H new ATOM 0 HG13 ILE A 14 8.509 -7.253 0.628 1.00 0.00 H new ATOM 0 HG21 ILE A 14 7.036 -5.261 1.059 1.00 0.00 H new ATOM 0 HG22 ILE A 14 5.298 -5.344 0.685 1.00 0.00 H new ATOM 0 HG23 ILE A 14 5.939 -6.176 2.122 1.00 0.00 H new ATOM 0 HD11 ILE A 14 8.397 -8.941 2.434 1.00 0.00 H new ATOM 0 HD12 ILE A 14 7.339 -7.560 2.807 1.00 0.00 H new ATOM 0 HD13 ILE A 14 6.638 -9.080 2.205 1.00 0.00 H new ATOM 257 N SER A 15 2.938 -7.251 -0.185 1.00 0.00 N ATOM 258 CA SER A 15 1.821 -6.835 -1.016 1.00 0.00 C ATOM 259 C SER A 15 1.741 -5.308 -1.059 1.00 0.00 C ATOM 260 O SER A 15 1.316 -4.677 -0.093 1.00 0.00 O ATOM 261 CB SER A 15 0.504 -7.420 -0.501 1.00 0.00 C ATOM 262 OG SER A 15 0.025 -8.472 -1.335 1.00 0.00 O ATOM 0 H SER A 15 2.765 -7.200 0.819 1.00 0.00 H new ATOM 0 HA SER A 15 1.986 -7.213 -2.025 1.00 0.00 H new ATOM 0 HB2 SER A 15 0.646 -7.796 0.512 1.00 0.00 H new ATOM 0 HB3 SER A 15 -0.246 -6.631 -0.446 1.00 0.00 H new ATOM 0 HG SER A 15 0.785 -8.944 -1.735 1.00 0.00 H new ATOM 268 N LEU A 16 2.157 -4.757 -2.191 1.00 0.00 N ATOM 269 CA LEU A 16 2.138 -3.316 -2.373 1.00 0.00 C ATOM 270 C LEU A 16 1.026 -2.945 -3.356 1.00 0.00 C ATOM 271 O LEU A 16 0.825 -3.629 -4.359 1.00 0.00 O ATOM 272 CB LEU A 16 3.521 -2.810 -2.790 1.00 0.00 C ATOM 273 CG LEU A 16 4.365 -2.175 -1.683 1.00 0.00 C ATOM 274 CD1 LEU A 16 3.911 -0.742 -1.402 1.00 0.00 C ATOM 275 CD2 LEU A 16 4.351 -3.039 -0.420 1.00 0.00 C ATOM 0 H LEU A 16 2.509 -5.283 -2.991 1.00 0.00 H new ATOM 0 HA LEU A 16 1.912 -2.816 -1.431 1.00 0.00 H new ATOM 0 HB2 LEU A 16 4.080 -3.646 -3.211 1.00 0.00 H new ATOM 0 HB3 LEU A 16 3.393 -2.078 -3.587 1.00 0.00 H new ATOM 0 HG LEU A 16 5.398 -2.124 -2.027 1.00 0.00 H new ATOM 0 HD11 LEU A 16 4.527 -0.314 -0.611 1.00 0.00 H new ATOM 0 HD12 LEU A 16 4.014 -0.143 -2.307 1.00 0.00 H new ATOM 0 HD13 LEU A 16 2.868 -0.746 -1.087 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.958 -2.566 0.351 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.327 -3.144 -0.062 1.00 0.00 H new ATOM 0 HD23 LEU A 16 4.758 -4.024 -0.648 1.00 0.00 H new ATOM 287 N PHE A 17 0.332 -1.863 -3.035 1.00 0.00 N ATOM 288 CA PHE A 17 -0.755 -1.393 -3.877 1.00 0.00 C ATOM 289 C PHE A 17 -0.397 -0.063 -4.543 1.00 0.00 C ATOM 290 O PHE A 17 0.473 0.662 -4.062 1.00 0.00 O ATOM 291 CB PHE A 17 -1.967 -1.185 -2.968 1.00 0.00 C ATOM 292 CG PHE A 17 -2.878 -2.409 -2.854 1.00 0.00 C ATOM 293 CD1 PHE A 17 -3.423 -2.957 -3.974 1.00 0.00 C ATOM 294 CD2 PHE A 17 -3.143 -2.949 -1.635 1.00 0.00 C ATOM 295 CE1 PHE A 17 -4.268 -4.093 -3.869 1.00 0.00 C ATOM 296 CE2 PHE A 17 -3.988 -4.085 -1.530 1.00 0.00 C ATOM 297 CZ PHE A 17 -4.533 -4.633 -2.649 1.00 0.00 C ATOM 0 H PHE A 17 0.501 -1.298 -2.203 1.00 0.00 H new ATOM 0 HA PHE A 17 -0.957 -2.120 -4.664 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -1.618 -0.911 -1.972 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -2.550 -0.345 -3.344 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -3.213 -2.528 -4.943 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -2.711 -2.514 -0.746 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -4.700 -4.528 -4.758 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -4.198 -4.514 -0.561 1.00 0.00 H new ATOM 0 HZ PHE A 17 -5.176 -5.497 -2.569 1.00 0.00 H new ATOM 307 N THR A 18 -1.086 0.218 -5.639 1.00 0.00 N ATOM 308 CA THR A 18 -0.851 1.448 -6.376 1.00 0.00 C ATOM 309 C THR A 18 -1.998 2.434 -6.145 1.00 0.00 C ATOM 310 O THR A 18 -3.161 2.037 -6.085 1.00 0.00 O ATOM 311 CB THR A 18 -0.648 1.086 -7.848 1.00 0.00 C ATOM 312 OG1 THR A 18 0.716 0.678 -7.920 1.00 0.00 O ATOM 313 CG2 THR A 18 -0.720 2.307 -8.767 1.00 0.00 C ATOM 0 H THR A 18 -1.807 -0.385 -6.035 1.00 0.00 H new ATOM 0 HA THR A 18 0.048 1.955 -6.025 1.00 0.00 H new ATOM 0 HB THR A 18 -1.402 0.359 -8.150 1.00 0.00 H new ATOM 0 HG1 THR A 18 0.853 0.136 -8.725 1.00 0.00 H new ATOM 0 HG21 THR A 18 -0.569 1.994 -9.800 1.00 0.00 H new ATOM 0 HG22 THR A 18 -1.698 2.779 -8.670 1.00 0.00 H new ATOM 0 HG23 THR A 18 0.056 3.019 -8.487 1.00 0.00 H new ATOM 321 N ASN A 19 -1.631 3.701 -6.022 1.00 0.00 N ATOM 322 CA ASN A 19 -2.614 4.747 -5.800 1.00 0.00 C ATOM 323 C ASN A 19 -2.124 6.047 -6.442 1.00 0.00 C ATOM 324 O ASN A 19 -1.751 6.987 -5.741 1.00 0.00 O ATOM 325 CB ASN A 19 -2.816 5.005 -4.305 1.00 0.00 C ATOM 326 CG ASN A 19 -4.045 4.259 -3.782 1.00 0.00 C ATOM 327 OD1 ASN A 19 -5.121 4.814 -3.629 1.00 0.00 O ATOM 328 ND2 ASN A 19 -3.826 2.975 -3.516 1.00 0.00 N ATOM 0 H ASN A 19 -0.666 4.027 -6.072 1.00 0.00 H new ATOM 0 HA ASN A 19 -3.557 4.422 -6.241 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -1.931 4.686 -3.754 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -2.933 6.074 -4.129 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -4.583 2.391 -3.161 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -2.901 2.574 -3.667 1.00 0.00 H new ATOM 335 N ASP A 20 -2.141 6.059 -7.766 1.00 0.00 N ATOM 336 CA ASP A 20 -1.703 7.227 -8.510 1.00 0.00 C ATOM 337 C ASP A 20 -0.323 7.658 -8.008 1.00 0.00 C ATOM 338 O ASP A 20 0.104 7.251 -6.929 1.00 0.00 O ATOM 339 CB ASP A 20 -2.665 8.400 -8.311 1.00 0.00 C ATOM 340 CG ASP A 20 -3.187 9.034 -9.602 1.00 0.00 C ATOM 341 OD1 ASP A 20 -3.704 8.268 -10.442 1.00 0.00 O ATOM 342 OD2 ASP A 20 -3.057 10.272 -9.718 1.00 0.00 O ATOM 0 H ASP A 20 -2.452 5.278 -8.343 1.00 0.00 H new ATOM 0 HA ASP A 20 -1.672 6.961 -9.567 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -3.516 8.057 -7.723 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -2.161 9.168 -7.725 1.00 0.00 H new ATOM 347 N ILE A 21 0.336 8.476 -8.816 1.00 0.00 N ATOM 348 CA ILE A 21 1.659 8.966 -8.467 1.00 0.00 C ATOM 349 C ILE A 21 2.168 9.884 -9.581 1.00 0.00 C ATOM 350 O ILE A 21 1.807 11.059 -9.636 1.00 0.00 O ATOM 351 CB ILE A 21 2.598 7.800 -8.155 1.00 0.00 C ATOM 352 CG1 ILE A 21 1.991 6.470 -8.609 1.00 0.00 C ATOM 353 CG2 ILE A 21 2.974 7.781 -6.672 1.00 0.00 C ATOM 354 CD1 ILE A 21 3.070 5.533 -9.154 1.00 0.00 C ATOM 0 H ILE A 21 -0.021 8.812 -9.711 1.00 0.00 H new ATOM 0 HA ILE A 21 1.616 9.562 -7.556 1.00 0.00 H new ATOM 0 HB ILE A 21 3.519 7.943 -8.720 1.00 0.00 H new ATOM 0 HG12 ILE A 21 1.480 5.994 -7.772 1.00 0.00 H new ATOM 0 HG13 ILE A 21 1.240 6.652 -9.378 1.00 0.00 H new ATOM 0 HG21 ILE A 21 3.642 6.942 -6.477 1.00 0.00 H new ATOM 0 HG22 ILE A 21 3.476 8.713 -6.412 1.00 0.00 H new ATOM 0 HG23 ILE A 21 2.072 7.674 -6.069 1.00 0.00 H new ATOM 0 HD11 ILE A 21 2.612 4.595 -9.470 1.00 0.00 H new ATOM 0 HD12 ILE A 21 3.562 6.001 -10.006 1.00 0.00 H new ATOM 0 HD13 ILE A 21 3.806 5.333 -8.375 1.00 0.00 H new ATOM 366 N ALA A 22 2.998 9.313 -10.441 1.00 0.00 N ATOM 367 CA ALA A 22 3.560 10.065 -11.550 1.00 0.00 C ATOM 368 C ALA A 22 3.667 9.155 -12.775 1.00 0.00 C ATOM 369 O ALA A 22 3.396 7.958 -12.690 1.00 0.00 O ATOM 370 CB ALA A 22 4.913 10.649 -11.138 1.00 0.00 C ATOM 0 H ALA A 22 3.295 8.338 -10.392 1.00 0.00 H new ATOM 0 HA ALA A 22 2.912 10.900 -11.815 1.00 0.00 H new ATOM 0 HB1 ALA A 22 5.334 11.213 -11.970 1.00 0.00 H new ATOM 0 HB2 ALA A 22 4.778 11.311 -10.282 1.00 0.00 H new ATOM 0 HB3 ALA A 22 5.591 9.840 -10.868 1.00 0.00 H new ATOM 376 N SER A 23 4.063 9.757 -13.887 1.00 0.00 N ATOM 377 CA SER A 23 4.209 9.016 -15.129 1.00 0.00 C ATOM 378 C SER A 23 3.492 7.668 -15.021 1.00 0.00 C ATOM 379 O SER A 23 2.311 7.561 -15.346 1.00 0.00 O ATOM 380 CB SER A 23 5.684 8.806 -15.474 1.00 0.00 C ATOM 381 OG SER A 23 5.890 7.622 -16.240 1.00 0.00 O ATOM 0 H SER A 23 4.287 10.750 -13.954 1.00 0.00 H new ATOM 0 HA SER A 23 3.755 9.599 -15.931 1.00 0.00 H new ATOM 0 HB2 SER A 23 6.052 9.667 -16.032 1.00 0.00 H new ATOM 0 HB3 SER A 23 6.267 8.749 -14.555 1.00 0.00 H new ATOM 0 HG SER A 23 6.844 7.525 -16.441 1.00 0.00 H new ATOM 387 N ASN A 24 4.237 6.673 -14.563 1.00 0.00 N ATOM 388 CA ASN A 24 3.688 5.337 -14.408 1.00 0.00 C ATOM 389 C ASN A 24 3.103 5.190 -13.002 1.00 0.00 C ATOM 390 O ASN A 24 3.833 4.934 -12.046 1.00 0.00 O ATOM 391 CB ASN A 24 4.773 4.272 -14.582 1.00 0.00 C ATOM 392 CG ASN A 24 4.629 3.558 -15.928 1.00 0.00 C ATOM 393 OD1 ASN A 24 3.385 3.184 -16.212 1.00 0.00 O flip ATOM 394 ND2 ASN A 24 5.585 3.360 -16.660 1.00 0.00 N flip ATOM 0 H ASN A 24 5.217 6.765 -14.294 1.00 0.00 H new ATOM 0 HA ASN A 24 2.920 5.198 -15.169 1.00 0.00 H new ATOM 0 HB2 ASN A 24 5.757 4.736 -14.516 1.00 0.00 H new ATOM 0 HB3 ASN A 24 4.708 3.546 -13.772 1.00 0.00 H new ATOM 0 HD21 ASN A 24 6.515 3.674 -16.381 1.00 0.00 H new ATOM 0 HD22 ASN A 24 5.455 2.881 -17.551 1.00 0.00 H new ATOM 401 N ILE A 25 1.791 5.358 -12.921 1.00 0.00 N ATOM 402 CA ILE A 25 1.100 5.248 -11.648 1.00 0.00 C ATOM 403 C ILE A 25 1.485 3.929 -10.976 1.00 0.00 C ATOM 404 O ILE A 25 1.524 3.841 -9.750 1.00 0.00 O ATOM 405 CB ILE A 25 -0.408 5.423 -11.840 1.00 0.00 C ATOM 406 CG1 ILE A 25 -0.757 6.882 -12.140 1.00 0.00 C ATOM 407 CG2 ILE A 25 -1.180 4.886 -10.634 1.00 0.00 C ATOM 408 CD1 ILE A 25 0.468 7.784 -11.973 1.00 0.00 C ATOM 0 H ILE A 25 1.189 5.569 -13.716 1.00 0.00 H new ATOM 0 HA ILE A 25 1.408 6.050 -10.977 1.00 0.00 H new ATOM 0 HB ILE A 25 -0.712 4.835 -12.705 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -1.139 6.966 -13.157 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -1.552 7.214 -11.472 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -2.249 5.023 -10.796 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -0.965 3.825 -10.507 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -0.877 5.427 -9.738 1.00 0.00 H new ATOM 0 HD11 ILE A 25 0.193 8.816 -12.192 1.00 0.00 H new ATOM 0 HD12 ILE A 25 0.833 7.716 -10.948 1.00 0.00 H new ATOM 0 HD13 ILE A 25 1.252 7.464 -12.660 1.00 0.00 H new ATOM 420 N LYS A 26 1.761 2.936 -11.809 1.00 0.00 N ATOM 421 CA LYS A 26 2.141 1.625 -11.310 1.00 0.00 C ATOM 422 C LYS A 26 3.644 1.610 -11.025 1.00 0.00 C ATOM 423 O LYS A 26 4.064 1.325 -9.904 1.00 0.00 O ATOM 424 CB LYS A 26 1.688 0.531 -12.279 1.00 0.00 C ATOM 425 CG LYS A 26 0.561 1.032 -13.184 1.00 0.00 C ATOM 426 CD LYS A 26 1.118 1.607 -14.488 1.00 0.00 C ATOM 427 CE LYS A 26 0.312 2.827 -14.938 1.00 0.00 C ATOM 428 NZ LYS A 26 -0.068 2.700 -16.362 1.00 0.00 N ATOM 0 H LYS A 26 1.729 3.013 -12.826 1.00 0.00 H new ATOM 0 HA LYS A 26 1.635 1.414 -10.368 1.00 0.00 H new ATOM 0 HB2 LYS A 26 2.532 0.208 -12.888 1.00 0.00 H new ATOM 0 HB3 LYS A 26 1.349 -0.339 -11.717 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -0.123 0.213 -13.407 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -0.016 1.796 -12.663 1.00 0.00 H new ATOM 0 HD2 LYS A 26 2.162 1.888 -14.349 1.00 0.00 H new ATOM 0 HD3 LYS A 26 1.094 0.844 -15.266 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -0.583 2.926 -14.324 1.00 0.00 H new ATOM 0 HE3 LYS A 26 0.900 3.733 -14.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -0.614 3.536 -16.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 0.790 2.628 -16.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -0.647 1.846 -16.492 1.00 0.00 H new ATOM 442 N SER A 27 4.414 1.920 -12.058 1.00 0.00 N ATOM 443 CA SER A 27 5.861 1.945 -11.932 1.00 0.00 C ATOM 444 C SER A 27 6.271 2.889 -10.799 1.00 0.00 C ATOM 445 O SER A 27 6.811 2.449 -9.785 1.00 0.00 O ATOM 446 CB SER A 27 6.521 2.374 -13.244 1.00 0.00 C ATOM 447 OG SER A 27 5.817 1.881 -14.381 1.00 0.00 O ATOM 0 H SER A 27 4.063 2.156 -12.986 1.00 0.00 H new ATOM 0 HA SER A 27 6.201 0.936 -11.698 1.00 0.00 H new ATOM 0 HB2 SER A 27 6.566 3.462 -13.289 1.00 0.00 H new ATOM 0 HB3 SER A 27 7.549 2.012 -13.269 1.00 0.00 H new ATOM 0 HG SER A 27 6.459 1.591 -15.062 1.00 0.00 H new ATOM 453 N GLN A 28 6.000 4.168 -11.011 1.00 0.00 N ATOM 454 CA GLN A 28 6.335 5.177 -10.020 1.00 0.00 C ATOM 455 C GLN A 28 5.926 4.706 -8.623 1.00 0.00 C ATOM 456 O GLN A 28 6.563 5.062 -7.633 1.00 0.00 O ATOM 457 CB GLN A 28 5.680 6.518 -10.360 1.00 0.00 C ATOM 458 CG GLN A 28 5.800 7.499 -9.192 1.00 0.00 C ATOM 459 CD GLN A 28 7.266 7.727 -8.817 1.00 0.00 C ATOM 460 OE1 GLN A 28 7.794 7.140 -7.887 1.00 0.00 O ATOM 461 NE2 GLN A 28 7.892 8.609 -9.591 1.00 0.00 N ATOM 0 H GLN A 28 5.553 4.529 -11.854 1.00 0.00 H new ATOM 0 HA GLN A 28 7.415 5.324 -10.031 1.00 0.00 H new ATOM 0 HB2 GLN A 28 6.152 6.943 -11.246 1.00 0.00 H new ATOM 0 HB3 GLN A 28 4.629 6.362 -10.602 1.00 0.00 H new ATOM 0 HG2 GLN A 28 5.338 8.449 -9.461 1.00 0.00 H new ATOM 0 HG3 GLN A 28 5.256 7.112 -8.330 1.00 0.00 H new ATOM 0 HE21 GLN A 28 7.391 9.065 -10.353 1.00 0.00 H new ATOM 0 HE22 GLN A 28 8.873 8.830 -9.422 1.00 0.00 H new ATOM 470 N LYS A 29 4.865 3.912 -8.588 1.00 0.00 N ATOM 471 CA LYS A 29 4.364 3.388 -7.329 1.00 0.00 C ATOM 472 C LYS A 29 5.511 2.725 -6.564 1.00 0.00 C ATOM 473 O LYS A 29 6.164 3.364 -5.740 1.00 0.00 O ATOM 474 CB LYS A 29 3.170 2.463 -7.571 1.00 0.00 C ATOM 475 CG LYS A 29 1.987 2.848 -6.681 1.00 0.00 C ATOM 476 CD LYS A 29 2.090 4.308 -6.234 1.00 0.00 C ATOM 477 CE LYS A 29 2.855 4.425 -4.914 1.00 0.00 C ATOM 478 NZ LYS A 29 3.715 5.629 -4.918 1.00 0.00 N ATOM 0 H LYS A 29 4.339 3.619 -9.411 1.00 0.00 H new ATOM 0 HA LYS A 29 3.989 4.197 -6.702 1.00 0.00 H new ATOM 0 HB2 LYS A 29 2.873 2.514 -8.618 1.00 0.00 H new ATOM 0 HB3 LYS A 29 3.459 1.431 -7.371 1.00 0.00 H new ATOM 0 HG2 LYS A 29 1.054 2.695 -7.224 1.00 0.00 H new ATOM 0 HG3 LYS A 29 1.958 2.197 -5.807 1.00 0.00 H new ATOM 0 HD2 LYS A 29 2.594 4.893 -7.003 1.00 0.00 H new ATOM 0 HD3 LYS A 29 1.091 4.728 -6.118 1.00 0.00 H new ATOM 0 HE2 LYS A 29 2.152 4.476 -4.083 1.00 0.00 H new ATOM 0 HE3 LYS A 29 3.466 3.535 -4.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 4.499 5.498 -4.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 4.098 5.779 -5.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 3.153 6.458 -4.636 1.00 0.00 H new ATOM 492 N CYS A 30 5.722 1.452 -6.865 1.00 0.00 N ATOM 493 CA CYS A 30 6.780 0.696 -6.216 1.00 0.00 C ATOM 494 C CYS A 30 8.020 0.740 -7.110 1.00 0.00 C ATOM 495 O CYS A 30 9.113 1.063 -6.646 1.00 0.00 O ATOM 496 CB CYS A 30 6.345 -0.740 -5.915 1.00 0.00 C ATOM 497 SG CYS A 30 4.573 -0.775 -5.458 1.00 0.00 S ATOM 0 H CYS A 30 5.179 0.925 -7.549 1.00 0.00 H new ATOM 0 HA CYS A 30 7.013 1.146 -5.251 1.00 0.00 H new ATOM 0 HB2 CYS A 30 6.517 -1.371 -6.787 1.00 0.00 H new ATOM 0 HB3 CYS A 30 6.947 -1.148 -5.103 1.00 0.00 H new ATOM 0 HG CYS A 30 4.344 0.116 -4.539 1.00 0.00 H new ATOM 503 N LEU A 31 7.810 0.412 -8.376 1.00 0.00 N ATOM 504 CA LEU A 31 8.898 0.410 -9.339 1.00 0.00 C ATOM 505 C LEU A 31 9.877 1.536 -8.998 1.00 0.00 C ATOM 506 O LEU A 31 11.091 1.356 -9.088 1.00 0.00 O ATOM 507 CB LEU A 31 8.351 0.483 -10.766 1.00 0.00 C ATOM 508 CG LEU A 31 7.855 -0.836 -11.363 1.00 0.00 C ATOM 509 CD1 LEU A 31 8.879 -1.953 -11.150 1.00 0.00 C ATOM 510 CD2 LEU A 31 6.479 -1.206 -10.806 1.00 0.00 C ATOM 0 H LEU A 31 6.902 0.146 -8.757 1.00 0.00 H new ATOM 0 HA LEU A 31 9.454 -0.526 -9.283 1.00 0.00 H new ATOM 0 HB2 LEU A 31 7.529 1.198 -10.782 1.00 0.00 H new ATOM 0 HB3 LEU A 31 9.132 0.881 -11.413 1.00 0.00 H new ATOM 0 HG LEU A 31 7.742 -0.704 -12.439 1.00 0.00 H new ATOM 0 HD11 LEU A 31 8.502 -2.879 -11.583 1.00 0.00 H new ATOM 0 HD12 LEU A 31 9.818 -1.682 -11.632 1.00 0.00 H new ATOM 0 HD13 LEU A 31 9.047 -2.094 -10.082 1.00 0.00 H new ATOM 0 HD21 LEU A 31 6.149 -2.147 -11.246 1.00 0.00 H new ATOM 0 HD22 LEU A 31 6.542 -1.314 -9.723 1.00 0.00 H new ATOM 0 HD23 LEU A 31 5.764 -0.421 -11.051 1.00 0.00 H new ATOM 522 N GLN A 32 9.313 2.671 -8.614 1.00 0.00 N ATOM 523 CA GLN A 32 10.121 3.826 -8.259 1.00 0.00 C ATOM 524 C GLN A 32 10.664 3.676 -6.836 1.00 0.00 C ATOM 525 O GLN A 32 11.841 3.935 -6.587 1.00 0.00 O ATOM 526 CB GLN A 32 9.321 5.121 -8.406 1.00 0.00 C ATOM 527 CG GLN A 32 9.553 5.756 -9.779 1.00 0.00 C ATOM 528 CD GLN A 32 10.995 6.250 -9.917 1.00 0.00 C ATOM 529 OE1 GLN A 32 11.859 5.956 -9.108 1.00 0.00 O ATOM 530 NE2 GLN A 32 11.205 7.014 -10.985 1.00 0.00 N ATOM 0 H GLN A 32 8.306 2.816 -8.541 1.00 0.00 H new ATOM 0 HA GLN A 32 10.965 3.879 -8.946 1.00 0.00 H new ATOM 0 HB2 GLN A 32 8.259 4.914 -8.272 1.00 0.00 H new ATOM 0 HB3 GLN A 32 9.610 5.822 -7.623 1.00 0.00 H new ATOM 0 HG2 GLN A 32 9.337 5.028 -10.561 1.00 0.00 H new ATOM 0 HG3 GLN A 32 8.864 6.589 -9.920 1.00 0.00 H new ATOM 0 HE21 GLN A 32 10.436 7.221 -11.623 1.00 0.00 H new ATOM 0 HE22 GLN A 32 12.135 7.393 -11.166 1.00 0.00 H new ATOM 539 N LEU A 33 9.782 3.258 -5.941 1.00 0.00 N ATOM 540 CA LEU A 33 10.158 3.071 -4.550 1.00 0.00 C ATOM 541 C LEU A 33 11.392 2.169 -4.477 1.00 0.00 C ATOM 542 O LEU A 33 12.303 2.419 -3.689 1.00 0.00 O ATOM 543 CB LEU A 33 8.969 2.554 -3.738 1.00 0.00 C ATOM 544 CG LEU A 33 9.309 1.875 -2.409 1.00 0.00 C ATOM 545 CD1 LEU A 33 10.472 2.585 -1.713 1.00 0.00 C ATOM 546 CD2 LEU A 33 8.074 1.782 -1.510 1.00 0.00 C ATOM 0 H LEU A 33 8.807 3.043 -6.152 1.00 0.00 H new ATOM 0 HA LEU A 33 10.432 4.024 -4.098 1.00 0.00 H new ATOM 0 HB2 LEU A 33 8.301 3.391 -3.535 1.00 0.00 H new ATOM 0 HB3 LEU A 33 8.414 1.846 -4.354 1.00 0.00 H new ATOM 0 HG LEU A 33 9.633 0.856 -2.619 1.00 0.00 H new ATOM 0 HD11 LEU A 33 10.694 2.083 -0.771 1.00 0.00 H new ATOM 0 HD12 LEU A 33 11.352 2.557 -2.355 1.00 0.00 H new ATOM 0 HD13 LEU A 33 10.200 3.622 -1.516 1.00 0.00 H new ATOM 0 HD21 LEU A 33 8.342 1.296 -0.572 1.00 0.00 H new ATOM 0 HD22 LEU A 33 7.697 2.784 -1.304 1.00 0.00 H new ATOM 0 HD23 LEU A 33 7.301 1.200 -2.012 1.00 0.00 H new ATOM 558 N LEU A 34 11.381 1.138 -5.310 1.00 0.00 N ATOM 559 CA LEU A 34 12.488 0.197 -5.349 1.00 0.00 C ATOM 560 C LEU A 34 13.652 0.818 -6.124 1.00 0.00 C ATOM 561 O LEU A 34 14.804 0.431 -5.936 1.00 0.00 O ATOM 562 CB LEU A 34 12.026 -1.150 -5.909 1.00 0.00 C ATOM 563 CG LEU A 34 10.605 -1.579 -5.538 1.00 0.00 C ATOM 564 CD1 LEU A 34 10.074 -0.757 -4.362 1.00 0.00 C ATOM 565 CD2 LEU A 34 9.676 -1.508 -6.752 1.00 0.00 C ATOM 0 H LEU A 34 10.624 0.934 -5.962 1.00 0.00 H new ATOM 0 HA LEU A 34 12.849 -0.009 -4.341 1.00 0.00 H new ATOM 0 HB2 LEU A 34 12.101 -1.114 -6.996 1.00 0.00 H new ATOM 0 HB3 LEU A 34 12.718 -1.920 -5.567 1.00 0.00 H new ATOM 0 HG LEU A 34 10.636 -2.620 -5.216 1.00 0.00 H new ATOM 0 HD11 LEU A 34 9.062 -1.082 -4.118 1.00 0.00 H new ATOM 0 HD12 LEU A 34 10.720 -0.901 -3.496 1.00 0.00 H new ATOM 0 HD13 LEU A 34 10.061 0.299 -4.633 1.00 0.00 H new ATOM 0 HD21 LEU A 34 8.672 -1.818 -6.461 1.00 0.00 H new ATOM 0 HD22 LEU A 34 9.645 -0.485 -7.127 1.00 0.00 H new ATOM 0 HD23 LEU A 34 10.048 -2.170 -7.534 1.00 0.00 H new ATOM 577 N LYS A 35 13.311 1.771 -6.979 1.00 0.00 N ATOM 578 CA LYS A 35 14.314 2.450 -7.782 1.00 0.00 C ATOM 579 C LYS A 35 15.286 3.188 -6.860 1.00 0.00 C ATOM 580 O LYS A 35 16.310 3.698 -7.313 1.00 0.00 O ATOM 581 CB LYS A 35 13.646 3.352 -8.822 1.00 0.00 C ATOM 582 CG LYS A 35 14.552 3.551 -10.038 1.00 0.00 C ATOM 583 CD LYS A 35 14.713 5.037 -10.366 1.00 0.00 C ATOM 584 CE LYS A 35 15.044 5.239 -11.846 1.00 0.00 C ATOM 585 NZ LYS A 35 13.872 5.781 -12.570 1.00 0.00 N ATOM 0 H LYS A 35 12.354 2.089 -7.133 1.00 0.00 H new ATOM 0 HA LYS A 35 14.901 1.728 -8.350 1.00 0.00 H new ATOM 0 HB2 LYS A 35 12.700 2.911 -9.137 1.00 0.00 H new ATOM 0 HB3 LYS A 35 13.414 4.319 -8.375 1.00 0.00 H new ATOM 0 HG2 LYS A 35 15.530 3.110 -9.843 1.00 0.00 H new ATOM 0 HG3 LYS A 35 14.132 3.029 -10.898 1.00 0.00 H new ATOM 0 HD2 LYS A 35 13.794 5.569 -10.119 1.00 0.00 H new ATOM 0 HD3 LYS A 35 15.504 5.465 -9.751 1.00 0.00 H new ATOM 0 HE2 LYS A 35 15.888 5.921 -11.946 1.00 0.00 H new ATOM 0 HE3 LYS A 35 15.346 4.291 -12.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 14.060 5.769 -13.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 13.036 5.197 -12.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 13.695 6.758 -12.262 1.00 0.00 H new ATOM 599 N GLY A 36 14.932 3.221 -5.584 1.00 0.00 N ATOM 600 CA GLY A 36 15.761 3.888 -4.594 1.00 0.00 C ATOM 601 C GLY A 36 16.857 2.954 -4.078 1.00 0.00 C ATOM 602 O GLY A 36 18.032 3.320 -4.062 1.00 0.00 O ATOM 0 H GLY A 36 14.082 2.797 -5.212 1.00 0.00 H new ATOM 0 HA2 GLY A 36 16.213 4.778 -5.033 1.00 0.00 H new ATOM 0 HA3 GLY A 36 15.142 4.223 -3.762 1.00 0.00 H new ATOM 606 N ASP A 37 16.435 1.767 -3.670 1.00 0.00 N ATOM 607 CA ASP A 37 17.367 0.778 -3.154 1.00 0.00 C ATOM 608 C ASP A 37 17.557 -0.328 -4.195 1.00 0.00 C ATOM 609 O ASP A 37 18.312 -0.161 -5.151 1.00 0.00 O ATOM 610 CB ASP A 37 16.834 0.135 -1.873 1.00 0.00 C ATOM 611 CG ASP A 37 16.955 0.999 -0.616 1.00 0.00 C ATOM 612 OD1 ASP A 37 18.110 1.295 -0.240 1.00 0.00 O ATOM 613 OD2 ASP A 37 15.891 1.345 -0.060 1.00 0.00 O ATOM 0 H ASP A 37 15.460 1.467 -3.686 1.00 0.00 H new ATOM 0 HA ASP A 37 18.309 1.282 -2.939 1.00 0.00 H new ATOM 0 HB2 ASP A 37 15.784 -0.119 -2.021 1.00 0.00 H new ATOM 0 HB3 ASP A 37 17.367 -0.801 -1.705 1.00 0.00 H new ATOM 618 N VAL A 38 16.860 -1.432 -3.972 1.00 0.00 N ATOM 619 CA VAL A 38 16.943 -2.565 -4.878 1.00 0.00 C ATOM 620 C VAL A 38 15.963 -3.648 -4.424 1.00 0.00 C ATOM 621 O VAL A 38 15.417 -3.575 -3.325 1.00 0.00 O ATOM 622 CB VAL A 38 18.387 -3.062 -4.963 1.00 0.00 C ATOM 623 CG1 VAL A 38 18.703 -4.029 -3.820 1.00 0.00 C ATOM 624 CG2 VAL A 38 18.665 -3.709 -6.322 1.00 0.00 C ATOM 0 H VAL A 38 16.235 -1.566 -3.177 1.00 0.00 H new ATOM 0 HA VAL A 38 16.656 -2.269 -5.887 1.00 0.00 H new ATOM 0 HB VAL A 38 19.045 -2.199 -4.862 1.00 0.00 H new ATOM 0 HG11 VAL A 38 19.736 -4.367 -3.904 1.00 0.00 H new ATOM 0 HG12 VAL A 38 18.564 -3.522 -2.865 1.00 0.00 H new ATOM 0 HG13 VAL A 38 18.034 -4.888 -3.875 1.00 0.00 H new ATOM 0 HG21 VAL A 38 19.698 -4.054 -6.356 1.00 0.00 H new ATOM 0 HG22 VAL A 38 17.995 -4.557 -6.465 1.00 0.00 H new ATOM 0 HG23 VAL A 38 18.500 -2.978 -7.114 1.00 0.00 H new ATOM 634 N SER A 39 15.771 -4.630 -5.293 1.00 0.00 N ATOM 635 CA SER A 39 14.867 -5.727 -4.995 1.00 0.00 C ATOM 636 C SER A 39 15.574 -7.065 -5.223 1.00 0.00 C ATOM 637 O SER A 39 16.510 -7.149 -6.017 1.00 0.00 O ATOM 638 CB SER A 39 13.600 -5.645 -5.849 1.00 0.00 C ATOM 639 OG SER A 39 13.888 -5.736 -7.242 1.00 0.00 O ATOM 0 H SER A 39 16.227 -4.688 -6.204 1.00 0.00 H new ATOM 0 HA SER A 39 14.573 -5.652 -3.948 1.00 0.00 H new ATOM 0 HB2 SER A 39 12.920 -6.448 -5.566 1.00 0.00 H new ATOM 0 HB3 SER A 39 13.086 -4.706 -5.646 1.00 0.00 H new ATOM 0 HG SER A 39 13.053 -5.681 -7.753 1.00 0.00 H new ATOM 645 N HIS A 40 15.100 -8.077 -4.512 1.00 0.00 N ATOM 646 CA HIS A 40 15.675 -9.406 -4.627 1.00 0.00 C ATOM 647 C HIS A 40 15.071 -10.321 -3.560 1.00 0.00 C ATOM 648 O HIS A 40 13.974 -10.849 -3.738 1.00 0.00 O ATOM 649 CB HIS A 40 17.203 -9.345 -4.559 1.00 0.00 C ATOM 650 CG HIS A 40 17.874 -9.263 -5.909 1.00 0.00 C ATOM 651 ND1 HIS A 40 17.378 -9.455 -7.165 1.00 0.00 N flip ATOM 652 CD2 HIS A 40 19.214 -8.951 -6.062 1.00 0.00 C flip ATOM 653 CE1 HIS A 40 18.361 -9.270 -8.037 1.00 0.00 C flip ATOM 654 NE2 HIS A 40 19.500 -8.958 -7.355 1.00 0.00 N flip ATOM 0 H HIS A 40 14.324 -8.003 -3.854 1.00 0.00 H new ATOM 0 HA HIS A 40 15.429 -9.829 -5.601 1.00 0.00 H new ATOM 0 HB2 HIS A 40 17.496 -8.479 -3.966 1.00 0.00 H new ATOM 0 HB3 HIS A 40 17.569 -10.228 -4.036 1.00 0.00 H new ATOM 0 HD2 HIS A 40 19.908 -8.738 -5.263 1.00 0.00 H new ATOM 0 HE1 HIS A 40 18.273 -9.353 -9.110 1.00 0.00 H new ATOM 0 HE2 HIS A 40 20.412 -8.764 -7.768 1.00 0.00 H new ATOM 662 N ARG A 41 15.813 -10.481 -2.474 1.00 0.00 N ATOM 663 CA ARG A 41 15.363 -11.323 -1.378 1.00 0.00 C ATOM 664 C ARG A 41 13.872 -11.632 -1.523 1.00 0.00 C ATOM 665 O ARG A 41 13.494 -12.775 -1.776 1.00 0.00 O ATOM 666 CB ARG A 41 15.607 -10.646 -0.028 1.00 0.00 C ATOM 667 CG ARG A 41 16.737 -9.619 -0.125 1.00 0.00 C ATOM 668 CD ARG A 41 18.074 -10.301 -0.424 1.00 0.00 C ATOM 669 NE ARG A 41 18.954 -10.233 0.764 1.00 0.00 N ATOM 670 CZ ARG A 41 20.079 -10.947 0.907 1.00 0.00 C ATOM 671 NH1 ARG A 41 20.467 -11.787 -0.062 1.00 0.00 N ATOM 672 NH2 ARG A 41 20.815 -10.822 2.020 1.00 0.00 N ATOM 0 H ARG A 41 16.722 -10.042 -2.329 1.00 0.00 H new ATOM 0 HA ARG A 41 15.935 -12.250 -1.416 1.00 0.00 H new ATOM 0 HB2 ARG A 41 14.693 -10.156 0.307 1.00 0.00 H new ATOM 0 HB3 ARG A 41 15.858 -11.398 0.720 1.00 0.00 H new ATOM 0 HG2 ARG A 41 16.510 -8.896 -0.909 1.00 0.00 H new ATOM 0 HG3 ARG A 41 16.809 -9.063 0.810 1.00 0.00 H new ATOM 0 HD2 ARG A 41 17.906 -11.341 -0.704 1.00 0.00 H new ATOM 0 HD3 ARG A 41 18.557 -9.817 -1.273 1.00 0.00 H new ATOM 0 HE ARG A 41 18.688 -9.603 1.521 1.00 0.00 H new ATOM 0 HH11 ARG A 41 19.906 -11.883 -0.909 1.00 0.00 H new ATOM 0 HH12 ARG A 41 21.323 -12.330 0.047 1.00 0.00 H new ATOM 0 HH21 ARG A 41 20.519 -10.183 2.758 1.00 0.00 H new ATOM 0 HH22 ARG A 41 21.671 -11.365 2.129 1.00 0.00 H new ATOM 686 N PHE A 42 13.066 -10.594 -1.357 1.00 0.00 N ATOM 687 CA PHE A 42 11.624 -10.741 -1.466 1.00 0.00 C ATOM 688 C PHE A 42 11.109 -10.135 -2.773 1.00 0.00 C ATOM 689 O PHE A 42 11.825 -9.391 -3.441 1.00 0.00 O ATOM 690 CB PHE A 42 11.007 -9.984 -0.289 1.00 0.00 C ATOM 691 CG PHE A 42 10.792 -8.493 -0.552 1.00 0.00 C ATOM 692 CD1 PHE A 42 9.673 -8.070 -1.199 1.00 0.00 C ATOM 693 CD2 PHE A 42 11.720 -7.589 -0.138 1.00 0.00 C ATOM 694 CE1 PHE A 42 9.474 -6.686 -1.443 1.00 0.00 C ATOM 695 CE2 PHE A 42 11.521 -6.204 -0.383 1.00 0.00 C ATOM 696 CZ PHE A 42 10.402 -5.782 -1.030 1.00 0.00 C ATOM 0 H PHE A 42 13.384 -9.648 -1.148 1.00 0.00 H new ATOM 0 HA PHE A 42 11.356 -11.797 -1.456 1.00 0.00 H new ATOM 0 HB2 PHE A 42 10.049 -10.440 -0.039 1.00 0.00 H new ATOM 0 HB3 PHE A 42 11.652 -10.099 0.582 1.00 0.00 H new ATOM 0 HD1 PHE A 42 8.936 -8.787 -1.527 1.00 0.00 H new ATOM 0 HD2 PHE A 42 12.608 -7.924 0.377 1.00 0.00 H new ATOM 0 HE1 PHE A 42 8.585 -6.351 -1.957 1.00 0.00 H new ATOM 0 HE2 PHE A 42 12.258 -5.486 -0.055 1.00 0.00 H new ATOM 0 HZ PHE A 42 10.250 -4.729 -1.216 1.00 0.00 H new ATOM 706 N ASP A 43 9.871 -10.477 -3.099 1.00 0.00 N ATOM 707 CA ASP A 43 9.252 -9.975 -4.314 1.00 0.00 C ATOM 708 C ASP A 43 8.280 -8.848 -3.959 1.00 0.00 C ATOM 709 O ASP A 43 7.468 -8.988 -3.046 1.00 0.00 O ATOM 710 CB ASP A 43 8.460 -11.076 -5.023 1.00 0.00 C ATOM 711 CG ASP A 43 9.289 -11.989 -5.928 1.00 0.00 C ATOM 712 OD1 ASP A 43 10.387 -12.385 -5.481 1.00 0.00 O ATOM 713 OD2 ASP A 43 8.806 -12.270 -7.046 1.00 0.00 O ATOM 0 H ASP A 43 9.280 -11.095 -2.543 1.00 0.00 H new ATOM 0 HA ASP A 43 10.043 -9.618 -4.973 1.00 0.00 H new ATOM 0 HB2 ASP A 43 7.965 -11.689 -4.270 1.00 0.00 H new ATOM 0 HB3 ASP A 43 7.676 -10.611 -5.621 1.00 0.00 H new ATOM 718 N VAL A 44 8.396 -7.755 -4.698 1.00 0.00 N ATOM 719 CA VAL A 44 7.539 -6.604 -4.473 1.00 0.00 C ATOM 720 C VAL A 44 6.256 -6.761 -5.292 1.00 0.00 C ATOM 721 O VAL A 44 6.301 -7.176 -6.449 1.00 0.00 O ATOM 722 CB VAL A 44 8.298 -5.315 -4.792 1.00 0.00 C ATOM 723 CG1 VAL A 44 7.465 -4.084 -4.431 1.00 0.00 C ATOM 724 CG2 VAL A 44 9.654 -5.287 -4.084 1.00 0.00 C ATOM 0 H VAL A 44 9.071 -7.642 -5.454 1.00 0.00 H new ATOM 0 HA VAL A 44 7.250 -6.543 -3.424 1.00 0.00 H new ATOM 0 HB VAL A 44 8.481 -5.292 -5.866 1.00 0.00 H new ATOM 0 HG11 VAL A 44 8.028 -3.181 -4.668 1.00 0.00 H new ATOM 0 HG12 VAL A 44 6.537 -4.093 -5.002 1.00 0.00 H new ATOM 0 HG13 VAL A 44 7.236 -4.099 -3.365 1.00 0.00 H new ATOM 0 HG21 VAL A 44 10.173 -4.360 -4.328 1.00 0.00 H new ATOM 0 HG22 VAL A 44 9.503 -5.345 -3.006 1.00 0.00 H new ATOM 0 HG23 VAL A 44 10.254 -6.136 -4.413 1.00 0.00 H new ATOM 734 N GLU A 45 5.142 -6.421 -4.659 1.00 0.00 N ATOM 735 CA GLU A 45 3.849 -6.520 -5.315 1.00 0.00 C ATOM 736 C GLU A 45 3.351 -5.130 -5.715 1.00 0.00 C ATOM 737 O GLU A 45 3.046 -4.304 -4.856 1.00 0.00 O ATOM 738 CB GLU A 45 2.833 -7.230 -4.419 1.00 0.00 C ATOM 739 CG GLU A 45 2.417 -8.574 -5.020 1.00 0.00 C ATOM 740 CD GLU A 45 1.941 -9.538 -3.931 1.00 0.00 C ATOM 741 OE1 GLU A 45 2.464 -9.421 -2.802 1.00 0.00 O ATOM 742 OE2 GLU A 45 1.065 -10.369 -4.253 1.00 0.00 O ATOM 0 H GLU A 45 5.108 -6.077 -3.699 1.00 0.00 H new ATOM 0 HA GLU A 45 3.966 -7.117 -6.219 1.00 0.00 H new ATOM 0 HB2 GLU A 45 3.263 -7.387 -3.430 1.00 0.00 H new ATOM 0 HB3 GLU A 45 1.954 -6.598 -4.288 1.00 0.00 H new ATOM 0 HG2 GLU A 45 1.620 -8.420 -5.748 1.00 0.00 H new ATOM 0 HG3 GLU A 45 3.258 -9.013 -5.556 1.00 0.00 H new ATOM 749 N ILE A 46 3.283 -4.914 -7.021 1.00 0.00 N ATOM 750 CA ILE A 46 2.826 -3.638 -7.545 1.00 0.00 C ATOM 751 C ILE A 46 1.487 -3.835 -8.259 1.00 0.00 C ATOM 752 O ILE A 46 1.451 -4.268 -9.410 1.00 0.00 O ATOM 753 CB ILE A 46 3.905 -3.004 -8.426 1.00 0.00 C ATOM 754 CG1 ILE A 46 5.296 -3.215 -7.826 1.00 0.00 C ATOM 755 CG2 ILE A 46 3.607 -1.524 -8.678 1.00 0.00 C ATOM 756 CD1 ILE A 46 5.748 -4.668 -7.986 1.00 0.00 C ATOM 0 H ILE A 46 3.537 -5.601 -7.731 1.00 0.00 H new ATOM 0 HA ILE A 46 2.654 -2.932 -6.733 1.00 0.00 H new ATOM 0 HB ILE A 46 3.893 -3.504 -9.394 1.00 0.00 H new ATOM 0 HG12 ILE A 46 6.011 -2.552 -8.314 1.00 0.00 H new ATOM 0 HG13 ILE A 46 5.284 -2.948 -6.769 1.00 0.00 H new ATOM 0 HG21 ILE A 46 4.389 -1.097 -9.306 1.00 0.00 H new ATOM 0 HG22 ILE A 46 2.644 -1.427 -9.180 1.00 0.00 H new ATOM 0 HG23 ILE A 46 3.575 -0.992 -7.727 1.00 0.00 H new ATOM 0 HD11 ILE A 46 6.740 -4.790 -7.551 1.00 0.00 H new ATOM 0 HD12 ILE A 46 5.044 -5.326 -7.476 1.00 0.00 H new ATOM 0 HD13 ILE A 46 5.782 -4.924 -9.045 1.00 0.00 H new ATOM 768 N ALA A 47 0.419 -3.507 -7.546 1.00 0.00 N ATOM 769 CA ALA A 47 -0.918 -3.643 -8.097 1.00 0.00 C ATOM 770 C ALA A 47 -1.777 -2.464 -7.635 1.00 0.00 C ATOM 771 O ALA A 47 -1.723 -2.070 -6.471 1.00 0.00 O ATOM 772 CB ALA A 47 -1.508 -4.992 -7.681 1.00 0.00 C ATOM 0 H ALA A 47 0.453 -3.148 -6.592 1.00 0.00 H new ATOM 0 HA ALA A 47 -0.888 -3.623 -9.186 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -2.511 -5.093 -8.095 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -0.877 -5.797 -8.058 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.557 -5.048 -6.594 1.00 0.00 H new ATOM 778 N ASN A 48 -2.550 -1.933 -8.572 1.00 0.00 N ATOM 779 CA ASN A 48 -3.419 -0.807 -8.275 1.00 0.00 C ATOM 780 C ASN A 48 -4.862 -1.300 -8.154 1.00 0.00 C ATOM 781 O ASN A 48 -5.433 -1.802 -9.120 1.00 0.00 O ATOM 782 CB ASN A 48 -3.368 0.237 -9.393 1.00 0.00 C ATOM 783 CG ASN A 48 -2.178 -0.011 -10.322 1.00 0.00 C ATOM 784 OD1 ASN A 48 -1.233 -0.708 -9.990 1.00 0.00 O ATOM 785 ND2 ASN A 48 -2.276 0.596 -11.501 1.00 0.00 N ATOM 0 H ASN A 48 -2.592 -2.262 -9.537 1.00 0.00 H new ATOM 0 HA ASN A 48 -3.079 -0.355 -7.343 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -4.294 0.206 -9.967 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -3.294 1.235 -8.960 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -1.532 0.492 -12.191 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -3.095 1.165 -11.715 1.00 0.00 H new ATOM 792 N ARG A 49 -5.410 -1.139 -6.958 1.00 0.00 N ATOM 793 CA ARG A 49 -6.775 -1.562 -6.698 1.00 0.00 C ATOM 794 C ARG A 49 -7.278 -0.953 -5.387 1.00 0.00 C ATOM 795 O ARG A 49 -6.484 -0.613 -4.512 1.00 0.00 O ATOM 796 CB ARG A 49 -6.874 -3.086 -6.615 1.00 0.00 C ATOM 797 CG ARG A 49 -7.409 -3.673 -7.923 1.00 0.00 C ATOM 798 CD ARG A 49 -8.744 -3.030 -8.306 1.00 0.00 C ATOM 799 NE ARG A 49 -9.768 -4.077 -8.518 1.00 0.00 N ATOM 800 CZ ARG A 49 -9.708 -5.002 -9.485 1.00 0.00 C ATOM 801 NH1 ARG A 49 -8.673 -5.016 -10.336 1.00 0.00 N ATOM 802 NH2 ARG A 49 -10.684 -5.914 -9.601 1.00 0.00 N ATOM 0 H ARG A 49 -4.933 -0.721 -6.159 1.00 0.00 H new ATOM 0 HA ARG A 49 -7.393 -1.214 -7.526 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -5.892 -3.506 -6.398 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -7.530 -3.367 -5.791 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -6.683 -3.515 -8.721 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -7.537 -4.750 -7.817 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -9.067 -2.348 -7.520 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -8.625 -2.438 -9.213 1.00 0.00 H new ATOM 0 HE ARG A 49 -10.570 -4.096 -7.888 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -7.931 -4.322 -10.248 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -8.628 -5.720 -11.072 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -11.472 -5.903 -8.953 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -10.639 -6.619 -10.337 1.00 0.00 H new ATOM 816 N PHE A 50 -8.595 -0.836 -5.294 1.00 0.00 N ATOM 817 CA PHE A 50 -9.213 -0.275 -4.105 1.00 0.00 C ATOM 818 C PHE A 50 -9.083 -1.229 -2.916 1.00 0.00 C ATOM 819 O PHE A 50 -9.715 -2.284 -2.890 1.00 0.00 O ATOM 820 CB PHE A 50 -10.696 -0.075 -4.423 1.00 0.00 C ATOM 821 CG PHE A 50 -11.513 -1.369 -4.416 1.00 0.00 C ATOM 822 CD1 PHE A 50 -11.106 -2.435 -5.156 1.00 0.00 C ATOM 823 CD2 PHE A 50 -12.647 -1.453 -3.670 1.00 0.00 C ATOM 824 CE1 PHE A 50 -11.865 -3.635 -5.150 1.00 0.00 C ATOM 825 CE2 PHE A 50 -13.406 -2.653 -3.663 1.00 0.00 C ATOM 826 CZ PHE A 50 -12.998 -3.719 -4.403 1.00 0.00 C ATOM 0 H PHE A 50 -9.250 -1.120 -6.022 1.00 0.00 H new ATOM 0 HA PHE A 50 -8.724 0.662 -3.839 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -11.123 0.616 -3.697 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -10.787 0.395 -5.402 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -10.205 -2.369 -5.748 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -12.970 -0.606 -3.083 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -11.542 -4.481 -5.739 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -14.307 -2.719 -3.071 1.00 0.00 H new ATOM 0 HZ PHE A 50 -13.574 -4.632 -4.397 1.00 0.00 H new ATOM 836 N PRO A 51 -8.237 -0.814 -1.935 1.00 0.00 N ATOM 837 CA PRO A 51 -8.016 -1.620 -0.747 1.00 0.00 C ATOM 838 C PRO A 51 -9.213 -1.537 0.202 1.00 0.00 C ATOM 839 O PRO A 51 -9.077 -1.092 1.341 1.00 0.00 O ATOM 840 CB PRO A 51 -6.734 -1.077 -0.136 1.00 0.00 C ATOM 841 CG PRO A 51 -6.538 0.304 -0.739 1.00 0.00 C ATOM 842 CD PRO A 51 -7.472 0.429 -1.932 1.00 0.00 C ATOM 0 HA PRO A 51 -7.916 -2.682 -0.972 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -6.812 -1.022 0.950 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -5.888 -1.726 -0.362 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -6.755 1.077 -0.002 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -5.502 0.442 -1.049 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -8.125 1.296 -1.834 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -6.914 0.553 -2.860 1.00 0.00 H new ATOM 850 N THR A 52 -10.358 -1.974 -0.301 1.00 0.00 N ATOM 851 CA THR A 52 -11.578 -1.955 0.488 1.00 0.00 C ATOM 852 C THR A 52 -11.421 -2.831 1.733 1.00 0.00 C ATOM 853 O THR A 52 -10.749 -3.860 1.692 1.00 0.00 O ATOM 854 CB THR A 52 -12.733 -2.386 -0.417 1.00 0.00 C ATOM 855 OG1 THR A 52 -12.097 -2.772 -1.632 1.00 0.00 O ATOM 856 CG2 THR A 52 -13.630 -1.214 -0.821 1.00 0.00 C ATOM 0 H THR A 52 -10.467 -2.343 -1.245 1.00 0.00 H new ATOM 0 HA THR A 52 -11.794 -0.953 0.859 1.00 0.00 H new ATOM 0 HB THR A 52 -13.331 -3.141 0.093 1.00 0.00 H new ATOM 0 HG1 THR A 52 -12.695 -2.591 -2.387 1.00 0.00 H new ATOM 0 HG21 THR A 52 -14.434 -1.575 -1.463 1.00 0.00 H new ATOM 0 HG22 THR A 52 -14.056 -0.757 0.072 1.00 0.00 H new ATOM 0 HG23 THR A 52 -13.040 -0.473 -1.361 1.00 0.00 H new ATOM 864 N TRP A 53 -12.054 -2.390 2.811 1.00 0.00 N ATOM 865 CA TRP A 53 -11.994 -3.121 4.065 1.00 0.00 C ATOM 866 C TRP A 53 -12.572 -4.517 3.827 1.00 0.00 C ATOM 867 O TRP A 53 -12.232 -5.463 4.536 1.00 0.00 O ATOM 868 CB TRP A 53 -12.712 -2.358 5.179 1.00 0.00 C ATOM 869 CG TRP A 53 -13.298 -1.015 4.737 1.00 0.00 C ATOM 870 CD1 TRP A 53 -14.350 -0.798 3.936 1.00 0.00 C ATOM 871 CD2 TRP A 53 -12.819 0.295 5.105 1.00 0.00 C ATOM 872 NE1 TRP A 53 -14.584 0.551 3.762 1.00 0.00 N ATOM 873 CE2 TRP A 53 -13.623 1.237 4.496 1.00 0.00 C ATOM 874 CE3 TRP A 53 -11.742 0.673 5.927 1.00 0.00 C ATOM 875 CZ2 TRP A 53 -13.434 2.616 4.643 1.00 0.00 C ATOM 876 CZ3 TRP A 53 -11.567 2.055 6.063 1.00 0.00 C ATOM 877 CH2 TRP A 53 -12.367 3.016 5.456 1.00 0.00 C ATOM 0 H TRP A 53 -12.611 -1.536 2.841 1.00 0.00 H new ATOM 0 HA TRP A 53 -10.963 -3.225 4.402 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -13.515 -2.981 5.573 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -12.012 -2.186 5.997 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -14.941 -1.581 3.483 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -15.325 0.968 3.199 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -11.101 -0.046 6.415 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -14.077 3.333 4.155 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -10.753 2.399 6.683 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -12.166 4.066 5.611 1.00 0.00 H new ATOM 888 N ASP A 54 -13.437 -4.601 2.827 1.00 0.00 N ATOM 889 CA ASP A 54 -14.067 -5.866 2.487 1.00 0.00 C ATOM 890 C ASP A 54 -13.005 -6.968 2.460 1.00 0.00 C ATOM 891 O ASP A 54 -13.097 -7.941 3.207 1.00 0.00 O ATOM 892 CB ASP A 54 -14.717 -5.803 1.104 1.00 0.00 C ATOM 893 CG ASP A 54 -16.050 -5.055 1.049 1.00 0.00 C ATOM 894 OD1 ASP A 54 -16.529 -4.670 2.138 1.00 0.00 O ATOM 895 OD2 ASP A 54 -16.560 -4.884 -0.079 1.00 0.00 O ATOM 0 H ASP A 54 -13.717 -3.814 2.241 1.00 0.00 H new ATOM 0 HA ASP A 54 -14.831 -6.074 3.236 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -14.021 -5.326 0.414 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -14.874 -6.821 0.746 1.00 0.00 H new ATOM 900 N GLN A 55 -12.023 -6.778 1.592 1.00 0.00 N ATOM 901 CA GLN A 55 -10.945 -7.744 1.458 1.00 0.00 C ATOM 902 C GLN A 55 -9.842 -7.453 2.478 1.00 0.00 C ATOM 903 O GLN A 55 -9.290 -8.372 3.080 1.00 0.00 O ATOM 904 CB GLN A 55 -10.388 -7.750 0.034 1.00 0.00 C ATOM 905 CG GLN A 55 -10.987 -8.895 -0.785 1.00 0.00 C ATOM 906 CD GLN A 55 -11.355 -8.428 -2.195 1.00 0.00 C ATOM 907 OE1 GLN A 55 -11.666 -7.273 -2.432 1.00 0.00 O ATOM 908 NE2 GLN A 55 -11.302 -9.388 -3.113 1.00 0.00 N ATOM 0 H GLN A 55 -11.951 -5.970 0.974 1.00 0.00 H new ATOM 0 HA GLN A 55 -11.346 -8.737 1.659 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -10.608 -6.798 -0.450 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -9.303 -7.849 0.065 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -10.273 -9.716 -0.845 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -11.874 -9.280 -0.283 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -11.034 -10.335 -2.846 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -11.530 -9.178 -4.085 1.00 0.00 H new ATOM 917 N LEU A 56 -9.554 -6.170 2.640 1.00 0.00 N ATOM 918 CA LEU A 56 -8.526 -5.746 3.575 1.00 0.00 C ATOM 919 C LEU A 56 -8.785 -6.393 4.938 1.00 0.00 C ATOM 920 O LEU A 56 -7.880 -6.490 5.765 1.00 0.00 O ATOM 921 CB LEU A 56 -8.445 -4.219 3.626 1.00 0.00 C ATOM 922 CG LEU A 56 -8.296 -3.601 5.018 1.00 0.00 C ATOM 923 CD1 LEU A 56 -9.410 -4.077 5.951 1.00 0.00 C ATOM 924 CD2 LEU A 56 -6.906 -3.878 5.595 1.00 0.00 C ATOM 0 H LEU A 56 -10.015 -5.410 2.139 1.00 0.00 H new ATOM 0 HA LEU A 56 -7.545 -6.084 3.241 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -7.600 -3.899 3.016 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -9.344 -3.812 3.164 1.00 0.00 H new ATOM 0 HG LEU A 56 -8.395 -2.520 4.924 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -9.281 -3.623 6.933 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -10.377 -3.786 5.541 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -9.368 -5.162 6.044 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -6.827 -3.428 6.585 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -6.752 -4.954 5.672 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -6.148 -3.449 4.940 1.00 0.00 H new ATOM 936 N GLN A 57 -10.025 -6.820 5.128 1.00 0.00 N ATOM 937 CA GLN A 57 -10.413 -7.455 6.376 1.00 0.00 C ATOM 938 C GLN A 57 -9.294 -8.370 6.877 1.00 0.00 C ATOM 939 O GLN A 57 -9.160 -8.591 8.080 1.00 0.00 O ATOM 940 CB GLN A 57 -11.723 -8.230 6.212 1.00 0.00 C ATOM 941 CG GLN A 57 -12.588 -8.117 7.469 1.00 0.00 C ATOM 942 CD GLN A 57 -14.036 -7.779 7.109 1.00 0.00 C ATOM 943 OE1 GLN A 57 -14.392 -7.607 5.955 1.00 0.00 O ATOM 944 NE2 GLN A 57 -14.848 -7.693 8.159 1.00 0.00 N ATOM 0 H GLN A 57 -10.773 -6.739 4.439 1.00 0.00 H new ATOM 0 HA GLN A 57 -10.580 -6.677 7.121 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -12.272 -7.845 5.353 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -11.506 -9.279 6.008 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -12.557 -9.056 8.022 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -12.183 -7.347 8.125 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -14.484 -7.849 9.099 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -15.834 -7.471 8.024 1.00 0.00 H new ATOM 953 N TYR A 58 -8.519 -8.876 5.930 1.00 0.00 N ATOM 954 CA TYR A 58 -7.415 -9.762 6.261 1.00 0.00 C ATOM 955 C TYR A 58 -6.274 -8.991 6.927 1.00 0.00 C ATOM 956 O TYR A 58 -5.724 -9.436 7.933 1.00 0.00 O ATOM 957 CB TYR A 58 -6.920 -10.333 4.930 1.00 0.00 C ATOM 958 CG TYR A 58 -5.962 -9.409 4.175 1.00 0.00 C ATOM 959 CD1 TYR A 58 -6.450 -8.294 3.524 1.00 0.00 C ATOM 960 CD2 TYR A 58 -4.612 -9.692 4.143 1.00 0.00 C ATOM 961 CE1 TYR A 58 -5.549 -7.424 2.813 1.00 0.00 C ATOM 962 CE2 TYR A 58 -3.711 -8.822 3.432 1.00 0.00 C ATOM 963 CZ TYR A 58 -4.224 -7.731 2.802 1.00 0.00 C ATOM 964 OH TYR A 58 -3.373 -6.910 2.130 1.00 0.00 O ATOM 0 H TYR A 58 -8.633 -8.690 4.934 1.00 0.00 H new ATOM 0 HA TYR A 58 -7.740 -10.538 6.954 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -6.420 -11.283 5.117 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -7.780 -10.545 4.295 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -7.507 -8.074 3.548 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -4.231 -10.566 4.651 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -5.917 -6.548 2.300 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -2.652 -9.031 3.400 1.00 0.00 H new ATOM 0 HH TYR A 58 -2.726 -7.449 1.629 1.00 0.00 H new ATOM 974 N MET A 59 -5.952 -7.848 6.340 1.00 0.00 N ATOM 975 CA MET A 59 -4.887 -7.011 6.865 1.00 0.00 C ATOM 976 C MET A 59 -5.353 -6.241 8.101 1.00 0.00 C ATOM 977 O MET A 59 -4.567 -5.988 9.013 1.00 0.00 O ATOM 978 CB MET A 59 -4.436 -6.022 5.787 1.00 0.00 C ATOM 979 CG MET A 59 -2.910 -5.962 5.702 1.00 0.00 C ATOM 980 SD MET A 59 -2.243 -7.609 5.533 1.00 0.00 S ATOM 981 CE MET A 59 -1.151 -7.361 4.142 1.00 0.00 C ATOM 0 H MET A 59 -6.410 -7.482 5.506 1.00 0.00 H new ATOM 0 HA MET A 59 -4.055 -7.653 7.153 1.00 0.00 H new ATOM 0 HB2 MET A 59 -4.846 -6.319 4.822 1.00 0.00 H new ATOM 0 HB3 MET A 59 -4.831 -5.031 6.010 1.00 0.00 H new ATOM 0 HG2 MET A 59 -2.609 -5.350 4.852 1.00 0.00 H new ATOM 0 HG3 MET A 59 -2.506 -5.487 6.596 1.00 0.00 H new ATOM 0 HE1 MET A 59 -0.759 -8.323 3.811 1.00 0.00 H new ATOM 0 HE2 MET A 59 -1.702 -6.894 3.326 1.00 0.00 H new ATOM 0 HE3 MET A 59 -0.325 -6.715 4.439 1.00 0.00 H new ATOM 991 N ARG A 60 -6.631 -5.889 8.093 1.00 0.00 N ATOM 992 CA ARG A 60 -7.211 -5.153 9.203 1.00 0.00 C ATOM 993 C ARG A 60 -6.995 -5.911 10.515 1.00 0.00 C ATOM 994 O ARG A 60 -7.066 -5.325 11.594 1.00 0.00 O ATOM 995 CB ARG A 60 -8.710 -4.930 8.993 1.00 0.00 C ATOM 996 CG ARG A 60 -9.459 -4.942 10.327 1.00 0.00 C ATOM 997 CD ARG A 60 -10.906 -4.479 10.147 1.00 0.00 C ATOM 998 NE ARG A 60 -11.699 -4.816 11.351 1.00 0.00 N ATOM 999 CZ ARG A 60 -13.003 -4.543 11.493 1.00 0.00 C ATOM 1000 NH1 ARG A 60 -13.669 -3.926 10.507 1.00 0.00 N ATOM 1001 NH2 ARG A 60 -13.641 -4.886 12.620 1.00 0.00 N ATOM 0 H ARG A 60 -7.280 -6.100 7.335 1.00 0.00 H new ATOM 0 HA ARG A 60 -6.714 -4.184 9.253 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -8.872 -3.977 8.489 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -9.109 -5.707 8.341 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -9.445 -5.948 10.747 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -8.951 -4.292 11.039 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -10.933 -3.403 9.973 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -11.342 -4.955 9.269 1.00 0.00 H new ATOM 0 HE ARG A 60 -11.223 -5.286 12.121 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -13.183 -3.665 9.649 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -14.662 -3.718 10.615 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -13.134 -5.355 13.370 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -14.634 -4.678 12.728 1.00 0.00 H new ATOM 1015 N THR A 61 -6.734 -7.203 10.378 1.00 0.00 N ATOM 1016 CA THR A 61 -6.507 -8.048 11.538 1.00 0.00 C ATOM 1017 C THR A 61 -5.025 -8.043 11.919 1.00 0.00 C ATOM 1018 O THR A 61 -4.682 -7.902 13.092 1.00 0.00 O ATOM 1019 CB THR A 61 -7.048 -9.443 11.221 1.00 0.00 C ATOM 1020 OG1 THR A 61 -7.185 -9.448 9.803 1.00 0.00 O ATOM 1021 CG2 THR A 61 -8.475 -9.648 11.733 1.00 0.00 C ATOM 0 H THR A 61 -6.675 -7.685 9.481 1.00 0.00 H new ATOM 0 HA THR A 61 -7.037 -7.670 12.412 1.00 0.00 H new ATOM 0 HB THR A 61 -6.393 -10.195 11.661 1.00 0.00 H new ATOM 0 HG1 THR A 61 -6.301 -9.534 9.389 1.00 0.00 H new ATOM 0 HG21 THR A 61 -8.811 -10.654 11.482 1.00 0.00 H new ATOM 0 HG22 THR A 61 -8.495 -9.518 12.815 1.00 0.00 H new ATOM 0 HG23 THR A 61 -9.137 -8.918 11.267 1.00 0.00 H new ATOM 1029 N SER A 62 -4.186 -8.199 10.905 1.00 0.00 N ATOM 1030 CA SER A 62 -2.749 -8.214 11.119 1.00 0.00 C ATOM 1031 C SER A 62 -2.287 -6.865 11.672 1.00 0.00 C ATOM 1032 O SER A 62 -1.152 -6.731 12.126 1.00 0.00 O ATOM 1033 CB SER A 62 -2.003 -8.540 9.823 1.00 0.00 C ATOM 1034 OG SER A 62 -2.584 -9.644 9.135 1.00 0.00 O ATOM 0 H SER A 62 -4.474 -8.316 9.934 1.00 0.00 H new ATOM 0 HA SER A 62 -2.520 -8.994 11.845 1.00 0.00 H new ATOM 0 HB2 SER A 62 -2.007 -7.665 9.173 1.00 0.00 H new ATOM 0 HB3 SER A 62 -0.961 -8.763 10.051 1.00 0.00 H new ATOM 0 HG SER A 62 -2.080 -9.819 8.313 1.00 0.00 H new ATOM 1040 N CYS A 63 -3.192 -5.898 11.617 1.00 0.00 N ATOM 1041 CA CYS A 63 -2.892 -4.563 12.107 1.00 0.00 C ATOM 1042 C CYS A 63 -4.213 -3.829 12.342 1.00 0.00 C ATOM 1043 O CYS A 63 -5.156 -3.977 11.566 1.00 0.00 O ATOM 1044 CB CYS A 63 -1.978 -3.800 11.145 1.00 0.00 C ATOM 1045 SG CYS A 63 -0.658 -2.946 12.082 1.00 0.00 S ATOM 0 H CYS A 63 -4.133 -6.013 11.241 1.00 0.00 H new ATOM 0 HA CYS A 63 -2.344 -4.632 13.047 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -1.537 -4.490 10.425 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -2.559 -3.074 10.576 1.00 0.00 H new ATOM 0 HG CYS A 63 0.114 -2.303 11.257 1.00 0.00 H new ATOM 1051 N PRO A 64 -4.241 -3.034 13.445 1.00 0.00 N ATOM 1052 CA PRO A 64 -5.431 -2.277 13.792 1.00 0.00 C ATOM 1053 C PRO A 64 -5.599 -1.066 12.871 1.00 0.00 C ATOM 1054 O PRO A 64 -6.719 -0.628 12.613 1.00 0.00 O ATOM 1055 CB PRO A 64 -5.241 -1.892 15.250 1.00 0.00 C ATOM 1056 CG PRO A 64 -3.756 -2.045 15.532 1.00 0.00 C ATOM 1057 CD PRO A 64 -3.143 -2.835 14.386 1.00 0.00 C ATOM 0 HA PRO A 64 -6.348 -2.852 13.662 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -5.569 -0.868 15.429 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -5.831 -2.535 15.904 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -3.281 -1.068 15.619 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -3.598 -2.561 16.479 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -2.320 -2.289 13.925 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -2.740 -3.787 14.732 1.00 0.00 H new ATOM 1065 N GLN A 65 -4.468 -0.559 12.402 1.00 0.00 N ATOM 1066 CA GLN A 65 -4.476 0.593 11.515 1.00 0.00 C ATOM 1067 C GLN A 65 -4.389 0.140 10.056 1.00 0.00 C ATOM 1068 O GLN A 65 -4.172 0.956 9.162 1.00 0.00 O ATOM 1069 CB GLN A 65 -3.338 1.556 11.859 1.00 0.00 C ATOM 1070 CG GLN A 65 -3.554 2.191 13.235 1.00 0.00 C ATOM 1071 CD GLN A 65 -2.267 2.161 14.061 1.00 0.00 C ATOM 1072 OE1 GLN A 65 -1.840 1.131 14.555 1.00 0.00 O ATOM 1073 NE2 GLN A 65 -1.674 3.346 14.182 1.00 0.00 N ATOM 0 H GLN A 65 -3.541 -0.924 12.619 1.00 0.00 H new ATOM 0 HA GLN A 65 -5.416 1.128 11.653 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -2.388 1.022 11.846 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -3.275 2.336 11.100 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -3.890 3.221 13.115 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -4.343 1.658 13.765 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -2.085 4.169 13.743 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -0.808 3.431 14.714 1.00 0.00 H new ATOM 1082 N GLY A 66 -4.562 -1.159 9.862 1.00 0.00 N ATOM 1083 CA GLY A 66 -4.506 -1.729 8.527 1.00 0.00 C ATOM 1084 C GLY A 66 -5.348 -0.911 7.545 1.00 0.00 C ATOM 1085 O GLY A 66 -4.855 -0.493 6.498 1.00 0.00 O ATOM 0 H GLY A 66 -4.741 -1.833 10.607 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -3.472 -1.762 8.185 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -4.866 -2.757 8.551 1.00 0.00 H new ATOM 1089 N PRO A 67 -6.636 -0.702 7.928 1.00 0.00 N ATOM 1090 CA PRO A 67 -7.550 0.058 7.093 1.00 0.00 C ATOM 1091 C PRO A 67 -7.247 1.556 7.171 1.00 0.00 C ATOM 1092 O PRO A 67 -7.140 2.226 6.145 1.00 0.00 O ATOM 1093 CB PRO A 67 -8.937 -0.295 7.606 1.00 0.00 C ATOM 1094 CG PRO A 67 -8.732 -0.871 8.998 1.00 0.00 C ATOM 1095 CD PRO A 67 -7.253 -1.182 9.161 1.00 0.00 C ATOM 0 HA PRO A 67 -7.457 -0.187 6.035 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -9.578 0.586 7.638 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -9.423 -1.018 6.952 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -9.058 -0.160 9.757 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -9.329 -1.774 9.129 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -6.836 -0.680 10.034 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -7.086 -2.250 9.298 1.00 0.00 H new ATOM 1103 N VAL A 68 -7.118 2.038 8.399 1.00 0.00 N ATOM 1104 CA VAL A 68 -6.830 3.444 8.624 1.00 0.00 C ATOM 1105 C VAL A 68 -5.657 3.868 7.738 1.00 0.00 C ATOM 1106 O VAL A 68 -5.583 5.018 7.308 1.00 0.00 O ATOM 1107 CB VAL A 68 -6.576 3.694 10.112 1.00 0.00 C ATOM 1108 CG1 VAL A 68 -5.077 3.703 10.419 1.00 0.00 C ATOM 1109 CG2 VAL A 68 -7.237 4.996 10.570 1.00 0.00 C ATOM 0 H VAL A 68 -7.208 1.480 9.248 1.00 0.00 H new ATOM 0 HA VAL A 68 -7.686 4.059 8.346 1.00 0.00 H new ATOM 0 HB VAL A 68 -7.027 2.874 10.671 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -4.925 3.883 11.483 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -4.644 2.740 10.148 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -4.593 4.493 9.845 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -7.041 5.150 11.631 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -6.829 5.831 10.001 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -8.313 4.936 10.405 1.00 0.00 H new ATOM 1119 N SER A 69 -4.768 2.916 7.492 1.00 0.00 N ATOM 1120 CA SER A 69 -3.602 3.177 6.666 1.00 0.00 C ATOM 1121 C SER A 69 -4.032 3.424 5.218 1.00 0.00 C ATOM 1122 O SER A 69 -3.420 4.226 4.514 1.00 0.00 O ATOM 1123 CB SER A 69 -2.609 2.015 6.733 1.00 0.00 C ATOM 1124 OG SER A 69 -2.681 1.183 5.579 1.00 0.00 O ATOM 0 H SER A 69 -4.832 1.963 7.850 1.00 0.00 H new ATOM 0 HA SER A 69 -3.104 4.068 7.048 1.00 0.00 H new ATOM 0 HB2 SER A 69 -1.597 2.408 6.834 1.00 0.00 H new ATOM 0 HB3 SER A 69 -2.809 1.418 7.623 1.00 0.00 H new ATOM 0 HG SER A 69 -3.400 0.527 5.693 1.00 0.00 H new ATOM 1130 N LEU A 70 -5.081 2.721 4.817 1.00 0.00 N ATOM 1131 CA LEU A 70 -5.599 2.854 3.466 1.00 0.00 C ATOM 1132 C LEU A 70 -6.331 4.192 3.335 1.00 0.00 C ATOM 1133 O LEU A 70 -6.124 4.925 2.370 1.00 0.00 O ATOM 1134 CB LEU A 70 -6.460 1.644 3.101 1.00 0.00 C ATOM 1135 CG LEU A 70 -5.936 0.283 3.566 1.00 0.00 C ATOM 1136 CD1 LEU A 70 -7.090 -0.684 3.840 1.00 0.00 C ATOM 1137 CD2 LEU A 70 -4.933 -0.290 2.563 1.00 0.00 C ATOM 0 H LEU A 70 -5.586 2.057 5.404 1.00 0.00 H new ATOM 0 HA LEU A 70 -4.783 2.864 2.744 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -7.455 1.791 3.521 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -6.573 1.617 2.017 1.00 0.00 H new ATOM 0 HG LEU A 70 -5.404 0.424 4.507 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -6.691 -1.643 4.169 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -7.733 -0.272 4.618 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -7.670 -0.826 2.928 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -4.576 -1.257 2.917 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -5.418 -0.415 1.595 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -4.090 0.393 2.461 1.00 0.00 H new ATOM 1149 N GLN A 71 -7.172 4.468 4.321 1.00 0.00 N ATOM 1150 CA GLN A 71 -7.936 5.704 4.328 1.00 0.00 C ATOM 1151 C GLN A 71 -7.000 6.906 4.472 1.00 0.00 C ATOM 1152 O GLN A 71 -7.171 7.916 3.791 1.00 0.00 O ATOM 1153 CB GLN A 71 -8.988 5.692 5.439 1.00 0.00 C ATOM 1154 CG GLN A 71 -9.400 4.261 5.789 1.00 0.00 C ATOM 1155 CD GLN A 71 -9.572 3.416 4.525 1.00 0.00 C ATOM 1156 OE1 GLN A 71 -9.371 2.114 4.713 1.00 0.00 O flip ATOM 1157 NE2 GLN A 71 -9.867 3.912 3.450 1.00 0.00 N flip ATOM 0 H GLN A 71 -7.341 3.857 5.120 1.00 0.00 H new ATOM 0 HA GLN A 71 -8.461 5.789 3.377 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -8.591 6.187 6.325 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -9.863 6.259 5.122 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -8.646 3.809 6.433 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -10.333 4.275 6.352 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -10.007 4.919 3.375 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -9.973 3.319 2.627 1.00 0.00 H new ATOM 1166 N ARG A 72 -6.031 6.757 5.364 1.00 0.00 N ATOM 1167 CA ARG A 72 -5.068 7.818 5.606 1.00 0.00 C ATOM 1168 C ARG A 72 -4.076 7.910 4.444 1.00 0.00 C ATOM 1169 O ARG A 72 -3.403 8.926 4.276 1.00 0.00 O ATOM 1170 CB ARG A 72 -4.298 7.577 6.906 1.00 0.00 C ATOM 1171 CG ARG A 72 -5.085 8.093 8.112 1.00 0.00 C ATOM 1172 CD ARG A 72 -5.323 6.976 9.130 1.00 0.00 C ATOM 1173 NE ARG A 72 -5.111 7.488 10.503 1.00 0.00 N ATOM 1174 CZ ARG A 72 -5.889 8.407 11.090 1.00 0.00 C ATOM 1175 NH1 ARG A 72 -6.935 8.920 10.429 1.00 0.00 N ATOM 1176 NH2 ARG A 72 -5.621 8.813 12.339 1.00 0.00 N ATOM 0 H ARG A 72 -5.892 5.918 5.927 1.00 0.00 H new ATOM 0 HA ARG A 72 -5.621 8.754 5.692 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -4.101 6.511 7.024 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -3.330 8.076 6.858 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -4.539 8.910 8.584 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -6.041 8.498 7.781 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -6.338 6.591 9.029 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -4.646 6.144 8.935 1.00 0.00 H new ATOM 0 HE ARG A 72 -4.323 7.118 11.035 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -7.139 8.611 9.479 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -7.527 9.620 10.876 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -4.825 8.422 12.842 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -6.213 9.513 12.786 1.00 0.00 H new ATOM 1190 N GLN A 73 -4.018 6.835 3.671 1.00 0.00 N ATOM 1191 CA GLN A 73 -3.120 6.782 2.530 1.00 0.00 C ATOM 1192 C GLN A 73 -3.530 7.820 1.483 1.00 0.00 C ATOM 1193 O GLN A 73 -2.679 8.492 0.904 1.00 0.00 O ATOM 1194 CB GLN A 73 -3.085 5.377 1.925 1.00 0.00 C ATOM 1195 CG GLN A 73 -2.467 5.398 0.525 1.00 0.00 C ATOM 1196 CD GLN A 73 -3.461 5.940 -0.504 1.00 0.00 C ATOM 1197 OE1 GLN A 73 -3.168 6.839 -1.274 1.00 0.00 O ATOM 1198 NE2 GLN A 73 -4.649 5.343 -0.475 1.00 0.00 N ATOM 0 H GLN A 73 -4.578 5.994 3.813 1.00 0.00 H new ATOM 0 HA GLN A 73 -2.113 7.019 2.873 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -2.510 4.713 2.571 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -4.096 4.974 1.874 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -1.569 6.016 0.529 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -2.160 4.391 0.244 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -4.828 4.596 0.196 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -5.381 5.632 -1.124 1.00 0.00 H new ATOM 1207 N ILE A 74 -4.835 7.917 1.272 1.00 0.00 N ATOM 1208 CA ILE A 74 -5.368 8.861 0.305 1.00 0.00 C ATOM 1209 C ILE A 74 -5.055 10.287 0.765 1.00 0.00 C ATOM 1210 O ILE A 74 -4.553 10.491 1.869 1.00 0.00 O ATOM 1211 CB ILE A 74 -6.858 8.604 0.071 1.00 0.00 C ATOM 1212 CG1 ILE A 74 -7.136 8.301 -1.403 1.00 0.00 C ATOM 1213 CG2 ILE A 74 -7.703 9.770 0.586 1.00 0.00 C ATOM 1214 CD1 ILE A 74 -8.565 8.694 -1.783 1.00 0.00 C ATOM 0 H ILE A 74 -5.538 7.357 1.754 1.00 0.00 H new ATOM 0 HA ILE A 74 -4.888 8.725 -0.664 1.00 0.00 H new ATOM 0 HB ILE A 74 -7.147 7.721 0.642 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -6.427 8.843 -2.029 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -6.984 7.239 -1.595 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -8.758 9.562 0.407 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -7.534 9.897 1.655 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -7.420 10.683 0.063 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -8.737 8.468 -2.835 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -9.272 8.133 -1.172 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -8.706 9.761 -1.613 1.00 0.00 H new ATOM 1226 N PRO A 75 -5.372 11.261 -0.129 1.00 0.00 N ATOM 1227 CA PRO A 75 -5.130 12.662 0.174 1.00 0.00 C ATOM 1228 C PRO A 75 -6.161 13.193 1.171 1.00 0.00 C ATOM 1229 O PRO A 75 -5.816 13.937 2.089 1.00 0.00 O ATOM 1230 CB PRO A 75 -5.184 13.370 -1.170 1.00 0.00 C ATOM 1231 CG PRO A 75 -5.910 12.423 -2.111 1.00 0.00 C ATOM 1232 CD PRO A 75 -5.967 11.057 -1.446 1.00 0.00 C ATOM 0 HA PRO A 75 -4.168 12.828 0.658 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -5.711 14.321 -1.090 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -4.181 13.591 -1.536 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -6.916 12.788 -2.319 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -5.389 12.361 -3.067 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -6.993 10.698 -1.366 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -5.413 10.314 -2.020 1.00 0.00 H new ATOM 1240 N LYS A 76 -7.405 12.791 0.958 1.00 0.00 N ATOM 1241 CA LYS A 76 -8.488 13.218 1.828 1.00 0.00 C ATOM 1242 C LYS A 76 -8.963 12.028 2.665 1.00 0.00 C ATOM 1243 O LYS A 76 -9.886 11.317 2.273 1.00 0.00 O ATOM 1244 CB LYS A 76 -9.602 13.878 1.012 1.00 0.00 C ATOM 1245 CG LYS A 76 -9.031 14.922 0.050 1.00 0.00 C ATOM 1246 CD LYS A 76 -9.828 16.227 0.121 1.00 0.00 C ATOM 1247 CE LYS A 76 -9.431 17.045 1.352 1.00 0.00 C ATOM 1248 NZ LYS A 76 -10.385 18.156 1.564 1.00 0.00 N ATOM 0 H LYS A 76 -7.687 12.174 0.196 1.00 0.00 H new ATOM 0 HA LYS A 76 -8.139 13.980 2.525 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -10.145 13.118 0.450 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -10.319 14.350 1.684 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -7.987 15.116 0.296 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -9.052 14.534 -0.968 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -9.654 16.813 -0.781 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -10.895 16.005 0.156 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -9.410 16.402 2.232 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -8.424 17.442 1.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -10.102 18.701 2.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -10.385 18.778 0.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -11.340 17.771 1.708 1.00 0.00 H new ATOM 1262 N LEU A 77 -8.309 11.849 3.804 1.00 0.00 N ATOM 1263 CA LEU A 77 -8.653 10.759 4.700 1.00 0.00 C ATOM 1264 C LEU A 77 -10.040 11.010 5.294 1.00 0.00 C ATOM 1265 O LEU A 77 -10.958 10.216 5.094 1.00 0.00 O ATOM 1266 CB LEU A 77 -7.559 10.566 5.753 1.00 0.00 C ATOM 1267 CG LEU A 77 -6.214 11.231 5.453 1.00 0.00 C ATOM 1268 CD1 LEU A 77 -5.810 11.015 3.993 1.00 0.00 C ATOM 1269 CD2 LEU A 77 -6.241 12.714 5.827 1.00 0.00 C ATOM 0 H LEU A 77 -7.543 12.441 4.126 1.00 0.00 H new ATOM 0 HA LEU A 77 -8.706 9.818 4.152 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -7.927 10.949 6.705 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -7.392 9.497 5.883 1.00 0.00 H new ATOM 0 HG LEU A 77 -5.452 10.757 6.072 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -4.851 11.497 3.806 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -5.724 9.947 3.793 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -6.567 11.447 3.338 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -5.273 13.163 5.604 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -7.017 13.220 5.253 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -6.452 12.817 6.891 1.00 0.00 H new ATOM 1281 N ASP A 78 -10.150 12.118 6.013 1.00 0.00 N ATOM 1282 CA ASP A 78 -11.410 12.484 6.637 1.00 0.00 C ATOM 1283 C ASP A 78 -12.557 12.193 5.668 1.00 0.00 C ATOM 1284 O ASP A 78 -13.684 11.940 6.092 1.00 0.00 O ATOM 1285 CB ASP A 78 -11.444 13.975 6.976 1.00 0.00 C ATOM 1286 CG ASP A 78 -12.809 14.506 7.419 1.00 0.00 C ATOM 1287 OD1 ASP A 78 -13.509 13.752 8.128 1.00 0.00 O ATOM 1288 OD2 ASP A 78 -13.121 15.655 7.038 1.00 0.00 O ATOM 0 H ASP A 78 -9.387 12.774 6.177 1.00 0.00 H new ATOM 0 HA ASP A 78 -11.514 11.904 7.554 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -10.721 14.169 7.768 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -11.118 14.539 6.102 1.00 0.00 H new ATOM 1293 N SER A 79 -12.231 12.239 4.384 1.00 0.00 N ATOM 1294 CA SER A 79 -13.221 11.983 3.351 1.00 0.00 C ATOM 1295 C SER A 79 -13.496 10.482 3.249 1.00 0.00 C ATOM 1296 O SER A 79 -14.621 10.036 3.471 1.00 0.00 O ATOM 1297 CB SER A 79 -12.760 12.532 2.000 1.00 0.00 C ATOM 1298 OG SER A 79 -12.811 11.541 0.976 1.00 0.00 O ATOM 0 H SER A 79 -11.296 12.450 4.036 1.00 0.00 H new ATOM 0 HA SER A 79 -14.143 12.496 3.626 1.00 0.00 H new ATOM 0 HB2 SER A 79 -13.388 13.377 1.718 1.00 0.00 H new ATOM 0 HB3 SER A 79 -11.741 12.908 2.090 1.00 0.00 H new ATOM 0 HG SER A 79 -12.163 11.762 0.275 1.00 0.00 H new ATOM 1304 N VAL A 80 -12.448 9.742 2.914 1.00 0.00 N ATOM 1305 CA VAL A 80 -12.563 8.300 2.780 1.00 0.00 C ATOM 1306 C VAL A 80 -12.537 7.660 4.169 1.00 0.00 C ATOM 1307 O VAL A 80 -13.164 6.625 4.392 1.00 0.00 O ATOM 1308 CB VAL A 80 -11.463 7.772 1.858 1.00 0.00 C ATOM 1309 CG1 VAL A 80 -10.076 8.135 2.393 1.00 0.00 C ATOM 1310 CG2 VAL A 80 -11.595 6.261 1.657 1.00 0.00 C ATOM 0 H VAL A 80 -11.516 10.115 2.732 1.00 0.00 H new ATOM 0 HA VAL A 80 -13.513 8.033 2.317 1.00 0.00 H new ATOM 0 HB VAL A 80 -11.582 8.251 0.886 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -9.313 7.747 1.718 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -9.984 9.219 2.460 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -9.942 7.697 3.382 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -10.801 5.911 0.998 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -11.515 5.757 2.620 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -12.563 6.037 1.210 1.00 0.00 H new ATOM 1320 N LEU A 81 -11.805 8.301 5.068 1.00 0.00 N ATOM 1321 CA LEU A 81 -11.689 7.807 6.430 1.00 0.00 C ATOM 1322 C LEU A 81 -13.083 7.708 7.052 1.00 0.00 C ATOM 1323 O LEU A 81 -13.263 7.057 8.080 1.00 0.00 O ATOM 1324 CB LEU A 81 -10.717 8.673 7.233 1.00 0.00 C ATOM 1325 CG LEU A 81 -10.720 8.456 8.748 1.00 0.00 C ATOM 1326 CD1 LEU A 81 -12.022 8.962 9.372 1.00 0.00 C ATOM 1327 CD2 LEU A 81 -10.451 6.990 9.092 1.00 0.00 C ATOM 0 H LEU A 81 -11.286 9.159 4.880 1.00 0.00 H new ATOM 0 HA LEU A 81 -11.265 6.803 6.437 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -9.708 8.492 6.862 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -10.946 9.720 7.035 1.00 0.00 H new ATOM 0 HG LEU A 81 -9.908 9.042 9.179 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -11.998 8.796 10.449 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -12.131 10.028 9.172 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -12.866 8.423 8.940 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -10.458 6.863 10.175 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -11.225 6.364 8.648 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -9.478 6.697 8.699 1.00 0.00 H new ATOM 1339 N LYS A 82 -14.034 8.363 6.403 1.00 0.00 N ATOM 1340 CA LYS A 82 -15.406 8.357 6.879 1.00 0.00 C ATOM 1341 C LYS A 82 -16.292 7.632 5.863 1.00 0.00 C ATOM 1342 O LYS A 82 -16.331 6.403 5.834 1.00 0.00 O ATOM 1343 CB LYS A 82 -15.870 9.780 7.195 1.00 0.00 C ATOM 1344 CG LYS A 82 -16.295 9.907 8.659 1.00 0.00 C ATOM 1345 CD LYS A 82 -15.177 10.521 9.503 1.00 0.00 C ATOM 1346 CE LYS A 82 -15.540 11.940 9.946 1.00 0.00 C ATOM 1347 NZ LYS A 82 -14.626 12.400 11.015 1.00 0.00 N ATOM 0 H LYS A 82 -13.881 8.902 5.551 1.00 0.00 H new ATOM 0 HA LYS A 82 -15.481 7.807 7.817 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -15.065 10.484 6.984 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -16.704 10.047 6.546 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -17.190 10.525 8.729 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -16.555 8.924 9.053 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -14.994 9.898 10.379 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -14.252 10.541 8.928 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -15.484 12.618 9.095 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -16.569 11.963 10.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -14.887 13.365 11.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -14.700 11.762 11.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -13.648 12.397 10.661 1.00 0.00 H new ATOM 1361 N TYR A 83 -16.980 8.425 5.055 1.00 0.00 N ATOM 1362 CA TYR A 83 -17.862 7.875 4.040 1.00 0.00 C ATOM 1363 C TYR A 83 -17.814 8.711 2.760 1.00 0.00 C ATOM 1364 O TYR A 83 -18.561 8.453 1.817 1.00 0.00 O ATOM 1365 CB TYR A 83 -19.274 7.942 4.627 1.00 0.00 C ATOM 1366 CG TYR A 83 -20.131 6.711 4.327 1.00 0.00 C ATOM 1367 CD1 TYR A 83 -20.057 5.602 5.146 1.00 0.00 C ATOM 1368 CD2 TYR A 83 -20.980 6.709 3.239 1.00 0.00 C ATOM 1369 CE1 TYR A 83 -20.864 4.443 4.864 1.00 0.00 C ATOM 1370 CE2 TYR A 83 -21.787 5.551 2.957 1.00 0.00 C ATOM 1371 CZ TYR A 83 -21.689 4.475 3.783 1.00 0.00 C ATOM 1372 OH TYR A 83 -22.452 3.381 3.517 1.00 0.00 O ATOM 0 H TYR A 83 -16.944 9.444 5.083 1.00 0.00 H new ATOM 0 HA TYR A 83 -17.564 6.859 3.783 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -19.202 8.067 5.707 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -19.777 8.826 4.236 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -19.394 5.604 5.998 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -21.039 7.577 2.599 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -20.815 3.569 5.496 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -22.455 5.537 2.109 1.00 0.00 H new ATOM 0 HH TYR A 83 -22.993 3.546 2.717 1.00 0.00 H new ATOM 1382 N LYS A 84 -16.929 9.697 2.768 1.00 0.00 N ATOM 1383 CA LYS A 84 -16.774 10.573 1.619 1.00 0.00 C ATOM 1384 C LYS A 84 -16.290 9.754 0.420 1.00 0.00 C ATOM 1385 O LYS A 84 -16.754 8.636 0.200 1.00 0.00 O ATOM 1386 CB LYS A 84 -15.864 11.753 1.964 1.00 0.00 C ATOM 1387 CG LYS A 84 -16.310 13.022 1.234 1.00 0.00 C ATOM 1388 CD LYS A 84 -15.683 14.267 1.865 1.00 0.00 C ATOM 1389 CE LYS A 84 -14.933 15.093 0.818 1.00 0.00 C ATOM 1390 NZ LYS A 84 -14.257 16.245 1.454 1.00 0.00 N ATOM 0 H LYS A 84 -16.312 9.909 3.552 1.00 0.00 H new ATOM 0 HA LYS A 84 -17.733 11.010 1.341 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -15.878 11.925 3.040 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -14.836 11.515 1.692 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -16.026 12.960 0.183 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -17.397 13.102 1.266 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -16.460 14.876 2.326 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -14.998 13.971 2.659 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -14.198 14.468 0.311 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -15.630 15.447 0.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -13.753 16.795 0.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -14.965 16.850 1.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -13.578 15.901 2.162 1.00 0.00 H new ATOM 1404 N HIS A 85 -15.365 10.342 -0.323 1.00 0.00 N ATOM 1405 CA HIS A 85 -14.814 9.681 -1.494 1.00 0.00 C ATOM 1406 C HIS A 85 -14.870 8.165 -1.301 1.00 0.00 C ATOM 1407 O HIS A 85 -15.075 7.421 -2.259 1.00 0.00 O ATOM 1408 CB HIS A 85 -13.401 10.189 -1.790 1.00 0.00 C ATOM 1409 CG HIS A 85 -13.269 11.693 -1.754 1.00 0.00 C ATOM 1410 ND1 HIS A 85 -12.112 12.334 -1.348 1.00 0.00 N ATOM 1411 CD2 HIS A 85 -14.160 12.674 -2.079 1.00 0.00 C ATOM 1412 CE1 HIS A 85 -12.309 13.642 -1.427 1.00 0.00 C ATOM 1413 NE2 HIS A 85 -13.579 13.851 -1.880 1.00 0.00 N ATOM 0 H HIS A 85 -14.983 11.269 -0.137 1.00 0.00 H new ATOM 0 HA HIS A 85 -15.416 9.924 -2.370 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -12.711 9.757 -1.065 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -13.096 9.831 -2.773 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -15.167 12.519 -2.437 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -11.590 14.408 -1.177 1.00 0.00 H new ATOM 0 HE2 HIS A 85 -14.011 14.761 -2.039 1.00 0.00 H new ATOM 1421 N THR A 86 -14.686 7.751 -0.056 1.00 0.00 N ATOM 1422 CA THR A 86 -14.713 6.337 0.275 1.00 0.00 C ATOM 1423 C THR A 86 -15.917 5.658 -0.383 1.00 0.00 C ATOM 1424 O THR A 86 -15.868 4.471 -0.701 1.00 0.00 O ATOM 1425 CB THR A 86 -14.700 6.207 1.799 1.00 0.00 C ATOM 1426 OG1 THR A 86 -15.224 4.904 2.041 1.00 0.00 O ATOM 1427 CG2 THR A 86 -15.704 7.143 2.475 1.00 0.00 C ATOM 0 H THR A 86 -14.517 8.371 0.736 1.00 0.00 H new ATOM 0 HA THR A 86 -13.835 5.823 -0.116 1.00 0.00 H new ATOM 0 HB THR A 86 -13.698 6.418 2.172 1.00 0.00 H new ATOM 0 HG1 THR A 86 -15.249 4.736 3.006 1.00 0.00 H new ATOM 0 HG21 THR A 86 -15.654 7.011 3.556 1.00 0.00 H new ATOM 0 HG22 THR A 86 -15.464 8.176 2.224 1.00 0.00 H new ATOM 0 HG23 THR A 86 -16.710 6.910 2.127 1.00 0.00 H new ATOM 1435 N ASP A 87 -16.969 6.442 -0.567 1.00 0.00 N ATOM 1436 CA ASP A 87 -18.184 5.932 -1.180 1.00 0.00 C ATOM 1437 C ASP A 87 -17.813 4.987 -2.325 1.00 0.00 C ATOM 1438 O ASP A 87 -16.702 4.462 -2.367 1.00 0.00 O ATOM 1439 CB ASP A 87 -19.027 7.069 -1.760 1.00 0.00 C ATOM 1440 CG ASP A 87 -20.496 7.067 -1.332 1.00 0.00 C ATOM 1441 OD1 ASP A 87 -20.784 6.433 -0.294 1.00 0.00 O ATOM 1442 OD2 ASP A 87 -21.298 7.699 -2.052 1.00 0.00 O ATOM 0 H ASP A 87 -17.005 7.426 -0.302 1.00 0.00 H new ATOM 0 HA ASP A 87 -18.758 5.413 -0.412 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -18.580 8.019 -1.467 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -18.981 7.017 -2.848 1.00 0.00 H new ATOM 1447 N PRO A 88 -18.791 4.795 -3.251 1.00 0.00 N ATOM 1448 CA PRO A 88 -18.579 3.923 -4.394 1.00 0.00 C ATOM 1449 C PRO A 88 -17.677 4.591 -5.434 1.00 0.00 C ATOM 1450 O PRO A 88 -17.681 4.207 -6.602 1.00 0.00 O ATOM 1451 CB PRO A 88 -19.972 3.620 -4.921 1.00 0.00 C ATOM 1452 CG PRO A 88 -20.878 4.697 -4.348 1.00 0.00 C ATOM 1453 CD PRO A 88 -20.119 5.400 -3.234 1.00 0.00 C ATOM 0 HA PRO A 88 -18.059 3.002 -4.130 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -19.989 3.635 -6.011 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -20.300 2.628 -4.610 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -21.163 5.408 -5.123 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -21.799 4.257 -3.964 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -20.067 6.475 -3.408 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -20.607 5.256 -2.270 1.00 0.00 H new ATOM 1461 N THR A 89 -16.927 5.580 -4.971 1.00 0.00 N ATOM 1462 CA THR A 89 -16.022 6.306 -5.847 1.00 0.00 C ATOM 1463 C THR A 89 -14.658 5.615 -5.895 1.00 0.00 C ATOM 1464 O THR A 89 -14.073 5.461 -6.967 1.00 0.00 O ATOM 1465 CB THR A 89 -15.953 7.754 -5.360 1.00 0.00 C ATOM 1466 OG1 THR A 89 -15.943 8.524 -6.559 1.00 0.00 O ATOM 1467 CG2 THR A 89 -14.615 8.084 -4.694 1.00 0.00 C ATOM 0 H THR A 89 -16.927 5.896 -4.001 1.00 0.00 H new ATOM 0 HA THR A 89 -16.385 6.311 -6.875 1.00 0.00 H new ATOM 0 HB THR A 89 -16.765 7.939 -4.656 1.00 0.00 H new ATOM 0 HG1 THR A 89 -15.901 9.477 -6.335 1.00 0.00 H new ATOM 0 HG21 THR A 89 -14.618 9.124 -4.367 1.00 0.00 H new ATOM 0 HG22 THR A 89 -14.467 7.433 -3.833 1.00 0.00 H new ATOM 0 HG23 THR A 89 -13.806 7.931 -5.408 1.00 0.00 H new ATOM 1475 N PHE A 90 -14.190 5.216 -4.722 1.00 0.00 N ATOM 1476 CA PHE A 90 -12.906 4.545 -4.616 1.00 0.00 C ATOM 1477 C PHE A 90 -13.089 3.043 -4.386 1.00 0.00 C ATOM 1478 O PHE A 90 -12.178 2.257 -4.641 1.00 0.00 O ATOM 1479 CB PHE A 90 -12.183 5.149 -3.411 1.00 0.00 C ATOM 1480 CG PHE A 90 -11.529 6.503 -3.693 1.00 0.00 C ATOM 1481 CD1 PHE A 90 -10.816 6.690 -4.836 1.00 0.00 C ATOM 1482 CD2 PHE A 90 -11.659 7.520 -2.799 1.00 0.00 C ATOM 1483 CE1 PHE A 90 -10.209 7.946 -5.097 1.00 0.00 C ATOM 1484 CE2 PHE A 90 -11.052 8.777 -3.061 1.00 0.00 C ATOM 1485 CZ PHE A 90 -10.340 8.964 -4.204 1.00 0.00 C ATOM 0 H PHE A 90 -14.678 5.345 -3.836 1.00 0.00 H new ATOM 0 HA PHE A 90 -12.340 4.678 -5.538 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -12.895 5.264 -2.593 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -11.418 4.451 -3.072 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -10.712 5.882 -5.545 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -12.224 7.372 -1.890 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -9.643 8.094 -6.005 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -11.156 9.585 -2.352 1.00 0.00 H new ATOM 0 HZ PHE A 90 -9.879 9.920 -4.403 1.00 0.00 H new ATOM 1495 N GLY A 91 -14.273 2.691 -3.906 1.00 0.00 N ATOM 1496 CA GLY A 91 -14.587 1.297 -3.639 1.00 0.00 C ATOM 1497 C GLY A 91 -14.166 0.406 -4.809 1.00 0.00 C ATOM 1498 O GLY A 91 -13.111 0.616 -5.406 1.00 0.00 O ATOM 0 H GLY A 91 -15.026 3.346 -3.695 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -14.079 0.974 -2.730 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -15.657 1.189 -3.462 1.00 0.00 H new ATOM 1502 N MET A 92 -15.013 -0.570 -5.102 1.00 0.00 N ATOM 1503 CA MET A 92 -14.742 -1.494 -6.190 1.00 0.00 C ATOM 1504 C MET A 92 -13.675 -0.933 -7.133 1.00 0.00 C ATOM 1505 O MET A 92 -12.705 -1.617 -7.454 1.00 0.00 O ATOM 1506 CB MET A 92 -16.031 -1.752 -6.973 1.00 0.00 C ATOM 1507 CG MET A 92 -16.822 -0.457 -7.171 1.00 0.00 C ATOM 1508 SD MET A 92 -17.855 -0.151 -5.748 1.00 0.00 S ATOM 1509 CE MET A 92 -17.226 1.442 -5.245 1.00 0.00 C ATOM 0 H MET A 92 -15.887 -0.741 -4.605 1.00 0.00 H new ATOM 0 HA MET A 92 -14.371 -2.427 -5.766 1.00 0.00 H new ATOM 0 HB2 MET A 92 -15.790 -2.187 -7.943 1.00 0.00 H new ATOM 0 HB3 MET A 92 -16.644 -2.479 -6.441 1.00 0.00 H new ATOM 0 HG2 MET A 92 -16.137 0.378 -7.320 1.00 0.00 H new ATOM 0 HG3 MET A 92 -17.437 -0.530 -8.068 1.00 0.00 H new ATOM 0 HE1 MET A 92 -17.148 1.476 -4.158 1.00 0.00 H new ATOM 0 HE2 MET A 92 -16.241 1.600 -5.685 1.00 0.00 H new ATOM 0 HE3 MET A 92 -17.904 2.225 -5.584 1.00 0.00 H new ATOM 1519 N ASP A 93 -13.892 0.305 -7.550 1.00 0.00 N ATOM 1520 CA ASP A 93 -12.961 0.965 -8.449 1.00 0.00 C ATOM 1521 C ASP A 93 -12.336 2.167 -7.738 1.00 0.00 C ATOM 1522 O ASP A 93 -12.982 3.201 -7.573 1.00 0.00 O ATOM 1523 CB ASP A 93 -13.674 1.477 -9.702 1.00 0.00 C ATOM 1524 CG ASP A 93 -13.549 0.574 -10.932 1.00 0.00 C ATOM 1525 OD1 ASP A 93 -12.480 -0.061 -11.062 1.00 0.00 O ATOM 1526 OD2 ASP A 93 -14.524 0.541 -11.713 1.00 0.00 O ATOM 0 H ASP A 93 -14.699 0.869 -7.282 1.00 0.00 H new ATOM 0 HA ASP A 93 -12.200 0.240 -8.737 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -14.731 1.608 -9.472 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -13.277 2.461 -9.951 1.00 0.00 H new ATOM 1531 N LEU A 94 -11.086 1.992 -7.335 1.00 0.00 N ATOM 1532 CA LEU A 94 -10.367 3.049 -6.645 1.00 0.00 C ATOM 1533 C LEU A 94 -9.605 3.894 -7.668 1.00 0.00 C ATOM 1534 O LEU A 94 -9.770 5.111 -7.719 1.00 0.00 O ATOM 1535 CB LEU A 94 -9.477 2.463 -5.547 1.00 0.00 C ATOM 1536 CG LEU A 94 -8.170 3.209 -5.273 1.00 0.00 C ATOM 1537 CD1 LEU A 94 -8.408 4.421 -4.370 1.00 0.00 C ATOM 1538 CD2 LEU A 94 -7.110 2.267 -4.700 1.00 0.00 C ATOM 0 H LEU A 94 -10.553 1.134 -7.473 1.00 0.00 H new ATOM 0 HA LEU A 94 -11.064 3.715 -6.137 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -10.052 2.427 -4.622 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -9.236 1.434 -5.813 1.00 0.00 H new ATOM 0 HG LEU A 94 -7.787 3.585 -6.222 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -7.462 4.933 -4.191 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -9.105 5.105 -4.855 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -8.827 4.090 -3.420 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -6.191 2.823 -4.515 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -7.471 1.840 -3.764 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -6.912 1.466 -5.412 1.00 0.00 H new ATOM 1550 N GLN A 95 -8.787 3.213 -8.458 1.00 0.00 N ATOM 1551 CA GLN A 95 -7.999 3.886 -9.477 1.00 0.00 C ATOM 1552 C GLN A 95 -8.902 4.745 -10.364 1.00 0.00 C ATOM 1553 O GLN A 95 -8.459 5.749 -10.920 1.00 0.00 O ATOM 1554 CB GLN A 95 -7.208 2.878 -10.312 1.00 0.00 C ATOM 1555 CG GLN A 95 -6.264 2.057 -9.432 1.00 0.00 C ATOM 1556 CD GLN A 95 -5.544 2.949 -8.418 1.00 0.00 C ATOM 1557 OE1 GLN A 95 -5.183 4.081 -8.695 1.00 0.00 O ATOM 1558 NE2 GLN A 95 -5.357 2.378 -7.232 1.00 0.00 N ATOM 0 H GLN A 95 -8.653 2.203 -8.413 1.00 0.00 H new ATOM 0 HA GLN A 95 -7.281 4.540 -8.982 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -7.896 2.212 -10.833 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -6.634 3.404 -11.075 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -6.829 1.286 -8.907 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -5.531 1.546 -10.057 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -5.684 1.426 -7.067 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -4.886 2.892 -6.487 1.00 0.00 H new ATOM 1567 N LYS A 96 -10.152 4.320 -10.470 1.00 0.00 N ATOM 1568 CA LYS A 96 -11.121 5.037 -11.280 1.00 0.00 C ATOM 1569 C LYS A 96 -11.262 6.467 -10.753 1.00 0.00 C ATOM 1570 O LYS A 96 -11.552 7.388 -11.515 1.00 0.00 O ATOM 1571 CB LYS A 96 -12.444 4.271 -11.338 1.00 0.00 C ATOM 1572 CG LYS A 96 -12.246 2.881 -11.947 1.00 0.00 C ATOM 1573 CD LYS A 96 -11.240 2.925 -13.099 1.00 0.00 C ATOM 1574 CE LYS A 96 -11.681 3.921 -14.174 1.00 0.00 C ATOM 1575 NZ LYS A 96 -12.328 3.214 -15.301 1.00 0.00 N ATOM 0 H LYS A 96 -10.516 3.487 -10.008 1.00 0.00 H new ATOM 0 HA LYS A 96 -10.775 5.109 -12.311 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -12.858 4.177 -10.334 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -13.167 4.832 -11.930 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -11.896 2.191 -11.180 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -13.201 2.499 -12.308 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -10.258 3.206 -12.719 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -11.140 1.932 -13.537 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -12.374 4.645 -13.745 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -10.818 4.481 -14.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -12.621 3.904 -16.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -11.656 2.540 -15.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -13.163 2.699 -14.955 1.00 0.00 H new ATOM 1589 N CYS A 97 -11.049 6.608 -9.453 1.00 0.00 N ATOM 1590 CA CYS A 97 -11.148 7.909 -8.815 1.00 0.00 C ATOM 1591 C CYS A 97 -9.732 8.419 -8.541 1.00 0.00 C ATOM 1592 O CYS A 97 -9.443 9.598 -8.740 1.00 0.00 O ATOM 1593 CB CYS A 97 -11.991 7.851 -7.539 1.00 0.00 C ATOM 1594 SG CYS A 97 -11.985 9.483 -6.711 1.00 0.00 S ATOM 0 H CYS A 97 -10.808 5.842 -8.824 1.00 0.00 H new ATOM 0 HA CYS A 97 -11.661 8.604 -9.479 1.00 0.00 H new ATOM 0 HB2 CYS A 97 -13.013 7.561 -7.781 1.00 0.00 H new ATOM 0 HB3 CYS A 97 -11.595 7.091 -6.866 1.00 0.00 H new ATOM 0 HG CYS A 97 -11.236 9.428 -5.650 1.00 0.00 H new ATOM 1600 N VAL A 98 -8.886 7.506 -8.089 1.00 0.00 N ATOM 1601 CA VAL A 98 -7.507 7.848 -7.785 1.00 0.00 C ATOM 1602 C VAL A 98 -6.722 7.993 -9.091 1.00 0.00 C ATOM 1603 O VAL A 98 -5.630 8.558 -9.104 1.00 0.00 O ATOM 1604 CB VAL A 98 -6.905 6.807 -6.839 1.00 0.00 C ATOM 1605 CG1 VAL A 98 -5.394 6.685 -7.047 1.00 0.00 C ATOM 1606 CG2 VAL A 98 -7.232 7.137 -5.381 1.00 0.00 C ATOM 0 H VAL A 98 -9.129 6.529 -7.926 1.00 0.00 H new ATOM 0 HA VAL A 98 -7.457 8.806 -7.267 1.00 0.00 H new ATOM 0 HB VAL A 98 -7.355 5.842 -7.074 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -4.992 5.939 -6.362 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -5.191 6.382 -8.074 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -4.921 7.648 -6.853 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -6.792 6.382 -4.730 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -6.823 8.116 -5.129 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -8.313 7.149 -5.244 1.00 0.00 H new ATOM 1616 N GLN A 99 -7.311 7.472 -10.158 1.00 0.00 N ATOM 1617 CA GLN A 99 -6.681 7.536 -11.466 1.00 0.00 C ATOM 1618 C GLN A 99 -5.915 8.852 -11.622 1.00 0.00 C ATOM 1619 O GLN A 99 -4.922 8.914 -12.346 1.00 0.00 O ATOM 1620 CB GLN A 99 -7.714 7.368 -12.581 1.00 0.00 C ATOM 1621 CG GLN A 99 -9.017 8.092 -12.235 1.00 0.00 C ATOM 1622 CD GLN A 99 -10.067 7.884 -13.328 1.00 0.00 C ATOM 1623 OE1 GLN A 99 -10.109 6.644 -13.809 1.00 0.00 O flip ATOM 1624 NE2 GLN A 99 -10.792 8.788 -13.710 1.00 0.00 N flip ATOM 0 H GLN A 99 -8.217 7.004 -10.143 1.00 0.00 H new ATOM 0 HA GLN A 99 -5.971 6.713 -11.547 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -7.313 7.760 -13.515 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -7.914 6.308 -12.740 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -9.400 7.724 -11.283 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -8.823 9.157 -12.110 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -10.708 9.718 -13.299 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -11.482 8.614 -14.441 1.00 0.00 H new ATOM 1633 N ARG A 100 -6.405 9.871 -10.931 1.00 0.00 N ATOM 1634 CA ARG A 100 -5.779 11.181 -10.984 1.00 0.00 C ATOM 1635 C ARG A 100 -6.781 12.264 -10.580 1.00 0.00 C ATOM 1636 O ARG A 100 -6.388 13.360 -10.182 1.00 0.00 O ATOM 1637 CB ARG A 100 -5.250 11.482 -12.388 1.00 0.00 C ATOM 1638 CG ARG A 100 -4.983 12.978 -12.564 1.00 0.00 C ATOM 1639 CD ARG A 100 -3.870 13.450 -11.625 1.00 0.00 C ATOM 1640 NE ARG A 100 -3.955 14.916 -11.436 1.00 0.00 N ATOM 1641 CZ ARG A 100 -3.357 15.812 -12.233 1.00 0.00 C ATOM 1642 NH1 ARG A 100 -2.627 15.398 -13.278 1.00 0.00 N ATOM 1643 NH2 ARG A 100 -3.489 17.122 -11.985 1.00 0.00 N ATOM 0 H ARG A 100 -7.228 9.816 -10.331 1.00 0.00 H new ATOM 0 HA ARG A 100 -4.942 11.178 -10.286 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -4.331 10.922 -12.562 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -5.973 11.148 -13.132 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -4.703 13.182 -13.597 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -5.895 13.540 -12.364 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -3.956 12.945 -10.663 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -2.897 13.184 -12.038 1.00 0.00 H new ATOM 0 HE ARG A 100 -4.503 15.266 -10.650 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -2.527 14.401 -13.467 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -2.172 16.080 -13.885 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -4.045 17.437 -11.190 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -3.034 17.804 -12.591 1.00 0.00 H new ATOM 1657 N GLY A 101 -8.055 11.921 -10.697 1.00 0.00 N ATOM 1658 CA GLY A 101 -9.116 12.850 -10.349 1.00 0.00 C ATOM 1659 C GLY A 101 -9.082 13.188 -8.857 1.00 0.00 C ATOM 1660 O GLY A 101 -8.014 13.210 -8.246 1.00 0.00 O ATOM 0 H GLY A 101 -8.377 11.012 -11.028 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -9.011 13.763 -10.935 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -10.083 12.416 -10.605 1.00 0.00 H new ATOM 1664 N LEU A 102 -10.263 13.442 -8.314 1.00 0.00 N ATOM 1665 CA LEU A 102 -10.381 13.777 -6.905 1.00 0.00 C ATOM 1666 C LEU A 102 -9.100 14.472 -6.441 1.00 0.00 C ATOM 1667 O LEU A 102 -8.959 15.685 -6.589 1.00 0.00 O ATOM 1668 CB LEU A 102 -10.738 12.535 -6.087 1.00 0.00 C ATOM 1669 CG LEU A 102 -11.384 12.792 -4.724 1.00 0.00 C ATOM 1670 CD1 LEU A 102 -12.813 12.246 -4.683 1.00 0.00 C ATOM 1671 CD2 LEU A 102 -10.523 12.227 -3.593 1.00 0.00 C ATOM 0 H LEU A 102 -11.146 13.423 -8.824 1.00 0.00 H new ATOM 0 HA LEU A 102 -11.199 14.480 -6.748 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -11.415 11.918 -6.677 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -9.830 11.953 -5.932 1.00 0.00 H new ATOM 0 HG LEU A 102 -11.446 13.870 -4.574 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -13.249 12.442 -3.703 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -13.412 12.735 -5.451 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -12.797 11.171 -4.865 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -11.005 12.424 -2.636 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -10.407 11.152 -3.727 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -9.542 12.703 -3.610 1.00 0.00 H new ATOM 1683 N TRP A 103 -8.198 13.674 -5.888 1.00 0.00 N ATOM 1684 CA TRP A 103 -6.933 14.197 -5.401 1.00 0.00 C ATOM 1685 C TRP A 103 -5.842 13.176 -5.728 1.00 0.00 C ATOM 1686 O TRP A 103 -6.117 11.982 -5.836 1.00 0.00 O ATOM 1687 CB TRP A 103 -7.015 14.529 -3.910 1.00 0.00 C ATOM 1688 CG TRP A 103 -7.148 16.024 -3.612 1.00 0.00 C ATOM 1689 CD1 TRP A 103 -8.115 16.862 -4.011 1.00 0.00 C ATOM 1690 CD2 TRP A 103 -6.241 16.829 -2.830 1.00 0.00 C ATOM 1691 NE1 TRP A 103 -7.898 18.143 -3.545 1.00 0.00 N ATOM 1692 CE2 TRP A 103 -6.723 18.122 -2.804 1.00 0.00 C ATOM 1693 CE3 TRP A 103 -5.053 16.476 -2.166 1.00 0.00 C ATOM 1694 CZ2 TRP A 103 -6.080 19.166 -2.128 1.00 0.00 C ATOM 1695 CZ3 TRP A 103 -4.423 17.531 -1.495 1.00 0.00 C ATOM 1696 CH2 TRP A 103 -4.894 18.838 -1.459 1.00 0.00 C ATOM 0 H TRP A 103 -8.319 12.668 -5.766 1.00 0.00 H new ATOM 0 HA TRP A 103 -6.688 15.137 -5.895 1.00 0.00 H new ATOM 0 HB2 TRP A 103 -7.868 14.006 -3.478 1.00 0.00 H new ATOM 0 HB3 TRP A 103 -6.122 14.148 -3.414 1.00 0.00 H new ATOM 0 HD1 TRP A 103 -8.958 16.571 -4.620 1.00 0.00 H new ATOM 0 HE1 TRP A 103 -8.491 18.955 -3.714 1.00 0.00 H new ATOM 0 HE3 TRP A 103 -4.658 15.471 -2.173 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 -6.477 20.170 -2.123 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 -3.506 17.314 -0.968 1.00 0.00 H new ATOM 0 HH2 TRP A 103 -4.348 19.597 -0.918 1.00 0.00 H new ATOM 1707 N ASN A 104 -4.627 13.682 -5.874 1.00 0.00 N ATOM 1708 CA ASN A 104 -3.493 12.828 -6.186 1.00 0.00 C ATOM 1709 C ASN A 104 -2.907 12.272 -4.887 1.00 0.00 C ATOM 1710 O ASN A 104 -2.291 13.006 -4.115 1.00 0.00 O ATOM 1711 CB ASN A 104 -2.393 13.613 -6.903 1.00 0.00 C ATOM 1712 CG ASN A 104 -2.129 14.949 -6.205 1.00 0.00 C ATOM 1713 OD1 ASN A 104 -1.254 15.078 -5.364 1.00 0.00 O ATOM 1714 ND2 ASN A 104 -2.932 15.934 -6.600 1.00 0.00 N ATOM 0 H ASN A 104 -4.402 14.673 -5.782 1.00 0.00 H new ATOM 0 HA ASN A 104 -3.844 12.025 -6.834 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -1.477 13.023 -6.926 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -2.684 13.791 -7.938 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -2.835 16.865 -6.194 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -3.644 15.758 -7.309 1.00 0.00 H new ATOM 1721 N PRO A 105 -3.124 10.946 -4.679 1.00 0.00 N ATOM 1722 CA PRO A 105 -2.624 10.283 -3.487 1.00 0.00 C ATOM 1723 C PRO A 105 -1.114 10.056 -3.578 1.00 0.00 C ATOM 1724 O PRO A 105 -0.417 10.082 -2.565 1.00 0.00 O ATOM 1725 CB PRO A 105 -3.415 8.988 -3.396 1.00 0.00 C ATOM 1726 CG PRO A 105 -3.992 8.754 -4.783 1.00 0.00 C ATOM 1727 CD PRO A 105 -3.849 10.046 -5.571 1.00 0.00 C ATOM 0 HA PRO A 105 -2.759 10.881 -2.586 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -2.774 8.159 -3.095 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -4.207 9.066 -2.651 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -3.465 7.941 -5.283 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -5.040 8.461 -4.716 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -3.303 9.885 -6.500 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -4.823 10.455 -5.841 1.00 0.00 H new ATOM 1735 N LYS A 106 -0.653 9.839 -4.801 1.00 0.00 N ATOM 1736 CA LYS A 106 0.762 9.608 -5.037 1.00 0.00 C ATOM 1737 C LYS A 106 1.349 8.823 -3.863 1.00 0.00 C ATOM 1738 O LYS A 106 2.525 8.974 -3.536 1.00 0.00 O ATOM 1739 CB LYS A 106 1.481 10.929 -5.315 1.00 0.00 C ATOM 1740 CG LYS A 106 0.550 12.121 -5.080 1.00 0.00 C ATOM 1741 CD LYS A 106 0.401 12.414 -3.586 1.00 0.00 C ATOM 1742 CE LYS A 106 1.548 11.790 -2.788 1.00 0.00 C ATOM 1743 NZ LYS A 106 2.835 12.425 -3.148 1.00 0.00 N ATOM 0 H LYS A 106 -1.234 9.818 -5.639 1.00 0.00 H new ATOM 0 HA LYS A 106 0.905 9.000 -5.930 1.00 0.00 H new ATOM 0 HB2 LYS A 106 2.356 11.014 -4.670 1.00 0.00 H new ATOM 0 HB3 LYS A 106 1.841 10.942 -6.344 1.00 0.00 H new ATOM 0 HG2 LYS A 106 0.944 13.001 -5.589 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -0.429 11.914 -5.513 1.00 0.00 H new ATOM 0 HD2 LYS A 106 0.384 13.492 -3.423 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -0.551 12.022 -3.228 1.00 0.00 H new ATOM 0 HE2 LYS A 106 1.363 11.909 -1.720 1.00 0.00 H new ATOM 0 HE3 LYS A 106 1.596 10.719 -2.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 3.511 11.694 -3.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 2.684 13.098 -3.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 3.216 12.930 -2.323 1.00 0.00 H new ATOM 1757 N GLU A 107 0.503 8.000 -3.260 1.00 0.00 N ATOM 1758 CA GLU A 107 0.923 7.191 -2.129 1.00 0.00 C ATOM 1759 C GLU A 107 0.893 5.706 -2.498 1.00 0.00 C ATOM 1760 O GLU A 107 0.136 5.297 -3.378 1.00 0.00 O ATOM 1761 CB GLU A 107 0.053 7.469 -0.902 1.00 0.00 C ATOM 1762 CG GLU A 107 0.531 8.720 -0.162 1.00 0.00 C ATOM 1763 CD GLU A 107 -0.177 8.864 1.186 1.00 0.00 C ATOM 1764 OE1 GLU A 107 -0.181 7.863 1.935 1.00 0.00 O ATOM 1765 OE2 GLU A 107 -0.698 9.972 1.438 1.00 0.00 O ATOM 0 H GLU A 107 -0.472 7.876 -3.534 1.00 0.00 H new ATOM 0 HA GLU A 107 1.948 7.462 -1.875 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -0.985 7.598 -1.210 1.00 0.00 H new ATOM 0 HB3 GLU A 107 0.082 6.611 -0.230 1.00 0.00 H new ATOM 0 HG2 GLU A 107 1.609 8.665 -0.007 1.00 0.00 H new ATOM 0 HG3 GLU A 107 0.341 9.603 -0.773 1.00 0.00 H new ATOM 1772 N ALA A 108 1.724 4.940 -1.807 1.00 0.00 N ATOM 1773 CA ALA A 108 1.801 3.510 -2.051 1.00 0.00 C ATOM 1774 C ALA A 108 1.329 2.758 -0.805 1.00 0.00 C ATOM 1775 O ALA A 108 1.733 3.082 0.311 1.00 0.00 O ATOM 1776 CB ALA A 108 3.230 3.137 -2.450 1.00 0.00 C ATOM 0 H ALA A 108 2.350 5.283 -1.078 1.00 0.00 H new ATOM 0 HA ALA A 108 1.147 3.226 -2.875 1.00 0.00 H new ATOM 0 HB1 ALA A 108 3.288 2.064 -2.633 1.00 0.00 H new ATOM 0 HB2 ALA A 108 3.507 3.675 -3.356 1.00 0.00 H new ATOM 0 HB3 ALA A 108 3.914 3.405 -1.645 1.00 0.00 H new ATOM 1782 N LEU A 109 0.479 1.768 -1.037 1.00 0.00 N ATOM 1783 CA LEU A 109 -0.053 0.968 0.053 1.00 0.00 C ATOM 1784 C LEU A 109 0.847 -0.250 0.272 1.00 0.00 C ATOM 1785 O LEU A 109 0.956 -1.110 -0.600 1.00 0.00 O ATOM 1786 CB LEU A 109 -1.518 0.611 -0.210 1.00 0.00 C ATOM 1787 CG LEU A 109 -2.552 1.348 0.644 1.00 0.00 C ATOM 1788 CD1 LEU A 109 -1.903 1.948 1.893 1.00 0.00 C ATOM 1789 CD2 LEU A 109 -3.292 2.403 -0.181 1.00 0.00 C ATOM 0 H LEU A 109 0.146 1.502 -1.964 1.00 0.00 H new ATOM 0 HA LEU A 109 -0.050 1.539 0.982 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -1.736 0.808 -1.260 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -1.644 -0.460 -0.053 1.00 0.00 H new ATOM 0 HG LEU A 109 -3.294 0.625 0.982 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -2.659 2.466 2.483 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -1.459 1.152 2.491 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -1.127 2.654 1.596 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -4.021 2.912 0.449 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -2.577 3.129 -0.568 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -3.806 1.920 -1.012 1.00 0.00 H new ATOM 1801 N TRP A 110 1.468 -0.283 1.442 1.00 0.00 N ATOM 1802 CA TRP A 110 2.355 -1.381 1.787 1.00 0.00 C ATOM 1803 C TRP A 110 1.607 -2.310 2.745 1.00 0.00 C ATOM 1804 O TRP A 110 1.206 -1.895 3.831 1.00 0.00 O ATOM 1805 CB TRP A 110 3.673 -0.861 2.365 1.00 0.00 C ATOM 1806 CG TRP A 110 3.644 -0.641 3.879 1.00 0.00 C ATOM 1807 CD1 TRP A 110 3.472 0.510 4.542 1.00 0.00 C ATOM 1808 CD2 TRP A 110 3.800 -1.652 4.897 1.00 0.00 C ATOM 1809 NE1 TRP A 110 3.506 0.317 5.908 1.00 0.00 N ATOM 1810 CE2 TRP A 110 3.711 -1.040 6.131 1.00 0.00 C ATOM 1811 CE3 TRP A 110 4.009 -3.037 4.780 1.00 0.00 C ATOM 1812 CZ2 TRP A 110 3.820 -1.735 7.341 1.00 0.00 C ATOM 1813 CZ3 TRP A 110 4.115 -3.718 5.998 1.00 0.00 C ATOM 1814 CH2 TRP A 110 4.028 -3.117 7.249 1.00 0.00 C ATOM 0 H TRP A 110 1.374 0.433 2.163 1.00 0.00 H new ATOM 0 HA TRP A 110 2.631 -1.947 0.898 1.00 0.00 H new ATOM 0 HB2 TRP A 110 4.467 -1.568 2.126 1.00 0.00 H new ATOM 0 HB3 TRP A 110 3.926 0.080 1.876 1.00 0.00 H new ATOM 0 HD1 TRP A 110 3.325 1.469 4.067 1.00 0.00 H new ATOM 0 HE1 TRP A 110 3.400 1.037 6.622 1.00 0.00 H new ATOM 0 HE3 TRP A 110 4.082 -3.536 3.825 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 3.748 -1.233 8.294 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 4.276 -4.785 5.964 1.00 0.00 H new ATOM 0 HH2 TRP A 110 4.120 -3.713 8.145 1.00 0.00 H new ATOM 1825 N VAL A 111 1.443 -3.550 2.309 1.00 0.00 N ATOM 1826 CA VAL A 111 0.750 -4.541 3.114 1.00 0.00 C ATOM 1827 C VAL A 111 1.389 -5.913 2.888 1.00 0.00 C ATOM 1828 O VAL A 111 1.591 -6.328 1.748 1.00 0.00 O ATOM 1829 CB VAL A 111 -0.747 -4.520 2.798 1.00 0.00 C ATOM 1830 CG1 VAL A 111 -1.286 -3.088 2.796 1.00 0.00 C ATOM 1831 CG2 VAL A 111 -1.036 -5.216 1.467 1.00 0.00 C ATOM 0 H VAL A 111 1.778 -3.891 1.408 1.00 0.00 H new ATOM 0 HA VAL A 111 0.848 -4.307 4.174 1.00 0.00 H new ATOM 0 HB VAL A 111 -1.263 -5.072 3.583 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -2.352 -3.101 2.569 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -1.129 -2.639 3.777 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -0.761 -2.503 2.041 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -2.107 -5.187 1.266 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -0.503 -4.705 0.666 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -0.705 -6.253 1.519 1.00 0.00 H new ATOM 1841 N ASP A 112 1.690 -6.579 3.993 1.00 0.00 N ATOM 1842 CA ASP A 112 2.302 -7.896 3.930 1.00 0.00 C ATOM 1843 C ASP A 112 1.423 -8.899 4.680 1.00 0.00 C ATOM 1844 O ASP A 112 0.847 -8.572 5.716 1.00 0.00 O ATOM 1845 CB ASP A 112 3.683 -7.893 4.588 1.00 0.00 C ATOM 1846 CG ASP A 112 4.445 -6.570 4.487 1.00 0.00 C ATOM 1847 OD1 ASP A 112 3.969 -5.697 3.730 1.00 0.00 O ATOM 1848 OD2 ASP A 112 5.487 -6.462 5.169 1.00 0.00 O ATOM 0 H ASP A 112 1.522 -6.232 4.937 1.00 0.00 H new ATOM 0 HA ASP A 112 2.403 -8.171 2.880 1.00 0.00 H new ATOM 0 HB2 ASP A 112 3.567 -8.149 5.641 1.00 0.00 H new ATOM 0 HB3 ASP A 112 4.287 -8.678 4.134 1.00 0.00 H new ATOM 1853 N TRP A 113 1.347 -10.100 4.126 1.00 0.00 N ATOM 1854 CA TRP A 113 0.548 -11.153 4.730 1.00 0.00 C ATOM 1855 C TRP A 113 1.484 -12.050 5.542 1.00 0.00 C ATOM 1856 O TRP A 113 1.791 -11.751 6.695 1.00 0.00 O ATOM 1857 CB TRP A 113 -0.241 -11.920 3.667 1.00 0.00 C ATOM 1858 CG TRP A 113 -0.978 -11.022 2.671 1.00 0.00 C ATOM 1859 CD1 TRP A 113 -0.491 -9.980 1.983 1.00 0.00 C ATOM 1860 CD2 TRP A 113 -2.362 -11.129 2.276 1.00 0.00 C ATOM 1861 NE1 TRP A 113 -1.456 -9.410 1.177 1.00 0.00 N ATOM 1862 CE2 TRP A 113 -2.629 -10.132 1.361 1.00 0.00 C ATOM 1863 CE3 TRP A 113 -3.355 -12.040 2.679 1.00 0.00 C ATOM 1864 CZ2 TRP A 113 -3.886 -9.949 0.772 1.00 0.00 C ATOM 1865 CZ3 TRP A 113 -4.605 -11.844 2.081 1.00 0.00 C ATOM 1866 CH2 TRP A 113 -4.891 -10.844 1.158 1.00 0.00 C ATOM 0 H TRP A 113 1.825 -10.367 3.266 1.00 0.00 H new ATOM 0 HA TRP A 113 -0.200 -10.732 5.402 1.00 0.00 H new ATOM 0 HB2 TRP A 113 0.443 -12.568 3.119 1.00 0.00 H new ATOM 0 HB3 TRP A 113 -0.965 -12.567 4.163 1.00 0.00 H new ATOM 0 HD1 TRP A 113 0.529 -9.630 2.051 1.00 0.00 H new ATOM 0 HE1 TRP A 113 -1.331 -8.607 0.560 1.00 0.00 H new ATOM 0 HE3 TRP A 113 -3.168 -12.828 3.393 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 -4.070 -9.160 0.058 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 -5.404 -12.517 2.356 1.00 0.00 H new ATOM 0 HH2 TRP A 113 -5.884 -10.758 0.741 1.00 0.00 H new ATOM 1877 N GLU A 114 1.912 -13.132 4.908 1.00 0.00 N ATOM 1878 CA GLU A 114 2.807 -14.075 5.558 1.00 0.00 C ATOM 1879 C GLU A 114 3.949 -13.331 6.253 1.00 0.00 C ATOM 1880 O GLU A 114 4.657 -13.905 7.079 1.00 0.00 O ATOM 1881 CB GLU A 114 3.348 -15.097 4.556 1.00 0.00 C ATOM 1882 CG GLU A 114 2.344 -16.229 4.330 1.00 0.00 C ATOM 1883 CD GLU A 114 2.933 -17.311 3.423 1.00 0.00 C ATOM 1884 OE1 GLU A 114 3.875 -17.990 3.887 1.00 0.00 O ATOM 1885 OE2 GLU A 114 2.428 -17.436 2.287 1.00 0.00 O ATOM 0 H GLU A 114 1.656 -13.377 3.951 1.00 0.00 H new ATOM 0 HA GLU A 114 2.242 -14.620 6.314 1.00 0.00 H new ATOM 0 HB2 GLU A 114 3.564 -14.603 3.609 1.00 0.00 H new ATOM 0 HB3 GLU A 114 4.288 -15.508 4.923 1.00 0.00 H new ATOM 0 HG2 GLU A 114 2.062 -16.666 5.288 1.00 0.00 H new ATOM 0 HG3 GLU A 114 1.434 -15.829 3.882 1.00 0.00 H new ATOM 1892 N ASN A 115 4.092 -12.064 5.893 1.00 0.00 N ATOM 1893 CA ASN A 115 5.135 -11.235 6.472 1.00 0.00 C ATOM 1894 C ASN A 115 4.614 -10.589 7.757 1.00 0.00 C ATOM 1895 O ASN A 115 5.361 -9.916 8.466 1.00 0.00 O ATOM 1896 CB ASN A 115 5.545 -10.115 5.513 1.00 0.00 C ATOM 1897 CG ASN A 115 5.213 -10.484 4.066 1.00 0.00 C ATOM 1898 OD1 ASN A 115 6.081 -10.737 3.247 1.00 0.00 O ATOM 1899 ND2 ASN A 115 3.910 -10.500 3.798 1.00 0.00 N ATOM 0 H ASN A 115 3.503 -11.591 5.207 1.00 0.00 H new ATOM 0 HA ASN A 115 5.997 -11.871 6.674 1.00 0.00 H new ATOM 0 HB2 ASN A 115 5.031 -9.193 5.784 1.00 0.00 H new ATOM 0 HB3 ASN A 115 6.614 -9.924 5.607 1.00 0.00 H new ATOM 0 HD21 ASN A 115 3.585 -10.734 2.860 1.00 0.00 H new ATOM 0 HD22 ASN A 115 3.236 -10.278 4.531 1.00 0.00 H new ATOM 1906 N LYS A 116 3.335 -10.817 8.020 1.00 0.00 N ATOM 1907 CA LYS A 116 2.705 -10.266 9.207 1.00 0.00 C ATOM 1908 C LYS A 116 3.123 -8.803 9.369 1.00 0.00 C ATOM 1909 O LYS A 116 3.355 -8.340 10.485 1.00 0.00 O ATOM 1910 CB LYS A 116 3.014 -11.133 10.429 1.00 0.00 C ATOM 1911 CG LYS A 116 4.275 -10.643 11.144 1.00 0.00 C ATOM 1912 CD LYS A 116 3.932 -10.042 12.509 1.00 0.00 C ATOM 1913 CE LYS A 116 4.951 -8.972 12.908 1.00 0.00 C ATOM 1914 NZ LYS A 116 4.270 -7.815 13.531 1.00 0.00 N ATOM 0 H LYS A 116 2.718 -11.376 7.431 1.00 0.00 H new ATOM 0 HA LYS A 116 1.620 -10.278 9.103 1.00 0.00 H new ATOM 0 HB2 LYS A 116 2.169 -11.111 11.118 1.00 0.00 H new ATOM 0 HB3 LYS A 116 3.147 -12.170 10.120 1.00 0.00 H new ATOM 0 HG2 LYS A 116 4.970 -11.472 11.272 1.00 0.00 H new ATOM 0 HG3 LYS A 116 4.779 -9.896 10.530 1.00 0.00 H new ATOM 0 HD2 LYS A 116 2.934 -9.605 12.478 1.00 0.00 H new ATOM 0 HD3 LYS A 116 3.912 -10.829 13.263 1.00 0.00 H new ATOM 0 HE2 LYS A 116 5.676 -9.393 13.605 1.00 0.00 H new ATOM 0 HE3 LYS A 116 5.507 -8.645 12.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 4.976 -7.098 13.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 3.596 -7.404 12.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 3.760 -8.129 14.381 1.00 0.00 H new ATOM 1928 N LEU A 117 3.207 -8.116 8.239 1.00 0.00 N ATOM 1929 CA LEU A 117 3.594 -6.716 8.242 1.00 0.00 C ATOM 1930 C LEU A 117 2.712 -5.946 7.257 1.00 0.00 C ATOM 1931 O LEU A 117 2.649 -6.287 6.077 1.00 0.00 O ATOM 1932 CB LEU A 117 5.092 -6.573 7.967 1.00 0.00 C ATOM 1933 CG LEU A 117 5.965 -6.222 9.173 1.00 0.00 C ATOM 1934 CD1 LEU A 117 5.153 -5.488 10.242 1.00 0.00 C ATOM 1935 CD2 LEU A 117 6.655 -7.468 9.732 1.00 0.00 C ATOM 0 H LEU A 117 3.014 -8.503 7.315 1.00 0.00 H new ATOM 0 HA LEU A 117 3.431 -6.278 9.227 1.00 0.00 H new ATOM 0 HB2 LEU A 117 5.454 -7.509 7.542 1.00 0.00 H new ATOM 0 HB3 LEU A 117 5.230 -5.803 7.208 1.00 0.00 H new ATOM 0 HG LEU A 117 6.749 -5.542 8.841 1.00 0.00 H new ATOM 0 HD11 LEU A 117 5.797 -5.250 11.089 1.00 0.00 H new ATOM 0 HD12 LEU A 117 4.749 -4.566 9.823 1.00 0.00 H new ATOM 0 HD13 LEU A 117 4.334 -6.124 10.577 1.00 0.00 H new ATOM 0 HD21 LEU A 117 7.269 -7.190 10.589 1.00 0.00 H new ATOM 0 HD22 LEU A 117 5.902 -8.191 10.045 1.00 0.00 H new ATOM 0 HD23 LEU A 117 7.286 -7.911 8.961 1.00 0.00 H new ATOM 1947 N VAL A 118 2.052 -4.922 7.778 1.00 0.00 N ATOM 1948 CA VAL A 118 1.177 -4.101 6.959 1.00 0.00 C ATOM 1949 C VAL A 118 1.271 -2.645 7.421 1.00 0.00 C ATOM 1950 O VAL A 118 1.689 -2.373 8.545 1.00 0.00 O ATOM 1951 CB VAL A 118 -0.250 -4.652 7.004 1.00 0.00 C ATOM 1952 CG1 VAL A 118 -0.247 -6.166 7.221 1.00 0.00 C ATOM 1953 CG2 VAL A 118 -1.076 -3.946 8.081 1.00 0.00 C ATOM 0 H VAL A 118 2.106 -4.642 8.757 1.00 0.00 H new ATOM 0 HA VAL A 118 1.490 -4.132 5.915 1.00 0.00 H new ATOM 0 HB VAL A 118 -0.716 -4.453 6.039 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -1.273 -6.532 7.249 1.00 0.00 H new ATOM 0 HG12 VAL A 118 0.288 -6.650 6.404 1.00 0.00 H new ATOM 0 HG13 VAL A 118 0.246 -6.397 8.165 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -2.086 -4.356 8.092 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -0.611 -4.099 9.055 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -1.120 -2.879 7.864 1.00 0.00 H new ATOM 1963 N GLY A 119 0.874 -1.748 6.530 1.00 0.00 N ATOM 1964 CA GLY A 119 0.908 -0.328 6.832 1.00 0.00 C ATOM 1965 C GLY A 119 0.641 0.506 5.577 1.00 0.00 C ATOM 1966 O GLY A 119 0.208 -0.024 4.555 1.00 0.00 O ATOM 0 H GLY A 119 0.527 -1.978 5.599 1.00 0.00 H new ATOM 0 HA2 GLY A 119 0.162 -0.096 7.592 1.00 0.00 H new ATOM 0 HA3 GLY A 119 1.880 -0.064 7.248 1.00 0.00 H new ATOM 1970 N ASN A 120 0.910 1.798 5.696 1.00 0.00 N ATOM 1971 CA ASN A 120 0.704 2.711 4.584 1.00 0.00 C ATOM 1972 C ASN A 120 1.979 3.525 4.355 1.00 0.00 C ATOM 1973 O ASN A 120 2.849 3.579 5.222 1.00 0.00 O ATOM 1974 CB ASN A 120 -0.435 3.689 4.878 1.00 0.00 C ATOM 1975 CG ASN A 120 -0.413 4.866 3.901 1.00 0.00 C ATOM 1976 OD1 ASN A 120 -0.319 4.704 2.695 1.00 0.00 O ATOM 1977 ND2 ASN A 120 -0.504 6.057 4.487 1.00 0.00 N ATOM 0 H ASN A 120 1.269 2.234 6.545 1.00 0.00 H new ATOM 0 HA ASN A 120 0.453 2.119 3.704 1.00 0.00 H new ATOM 0 HB2 ASN A 120 -1.391 3.171 4.807 1.00 0.00 H new ATOM 0 HB3 ASN A 120 -0.347 4.058 5.900 1.00 0.00 H new ATOM 0 HD21 ASN A 120 -0.498 6.906 3.921 1.00 0.00 H new ATOM 0 HD22 ASN A 120 -0.580 6.121 5.502 1.00 0.00 H new ATOM 1984 N GLU A 121 2.048 4.139 3.183 1.00 0.00 N ATOM 1985 CA GLU A 121 3.202 4.948 2.829 1.00 0.00 C ATOM 1986 C GLU A 121 4.239 4.099 2.091 1.00 0.00 C ATOM 1987 O GLU A 121 4.432 2.928 2.414 1.00 0.00 O ATOM 1988 CB GLU A 121 3.813 5.604 4.069 1.00 0.00 C ATOM 1989 CG GLU A 121 2.725 6.191 4.970 1.00 0.00 C ATOM 1990 CD GLU A 121 2.976 7.676 5.237 1.00 0.00 C ATOM 1991 OE1 GLU A 121 3.616 8.309 4.369 1.00 0.00 O ATOM 1992 OE2 GLU A 121 2.523 8.146 6.304 1.00 0.00 O ATOM 0 H GLU A 121 1.324 4.093 2.466 1.00 0.00 H new ATOM 0 HA GLU A 121 2.872 5.745 2.162 1.00 0.00 H new ATOM 0 HB2 GLU A 121 4.393 4.868 4.626 1.00 0.00 H new ATOM 0 HB3 GLU A 121 4.503 6.391 3.766 1.00 0.00 H new ATOM 0 HG2 GLU A 121 1.750 6.062 4.500 1.00 0.00 H new ATOM 0 HG3 GLU A 121 2.698 5.648 5.915 1.00 0.00 H new ATOM 1999 N PRO A 122 4.897 4.739 1.088 1.00 0.00 N ATOM 2000 CA PRO A 122 5.910 4.056 0.301 1.00 0.00 C ATOM 2001 C PRO A 122 7.207 3.897 1.097 1.00 0.00 C ATOM 2002 O PRO A 122 7.832 2.838 1.066 1.00 0.00 O ATOM 2003 CB PRO A 122 6.080 4.907 -0.947 1.00 0.00 C ATOM 2004 CG PRO A 122 5.502 6.270 -0.603 1.00 0.00 C ATOM 2005 CD PRO A 122 4.695 6.126 0.677 1.00 0.00 C ATOM 0 HA PRO A 122 5.622 3.039 0.036 1.00 0.00 H new ATOM 0 HB2 PRO A 122 7.131 4.987 -1.225 1.00 0.00 H new ATOM 0 HB3 PRO A 122 5.559 4.464 -1.796 1.00 0.00 H new ATOM 0 HG2 PRO A 122 6.300 7.000 -0.471 1.00 0.00 H new ATOM 0 HG3 PRO A 122 4.870 6.632 -1.414 1.00 0.00 H new ATOM 0 HD2 PRO A 122 5.040 6.820 1.443 1.00 0.00 H new ATOM 0 HD3 PRO A 122 3.640 6.339 0.506 1.00 0.00 H new ATOM 2013 N ALA A 123 7.573 4.964 1.791 1.00 0.00 N ATOM 2014 CA ALA A 123 8.784 4.957 2.593 1.00 0.00 C ATOM 2015 C ALA A 123 8.661 3.891 3.684 1.00 0.00 C ATOM 2016 O ALA A 123 9.665 3.344 4.139 1.00 0.00 O ATOM 2017 CB ALA A 123 9.026 6.354 3.168 1.00 0.00 C ATOM 0 H ALA A 123 7.051 5.840 1.814 1.00 0.00 H new ATOM 0 HA ALA A 123 9.649 4.704 1.979 1.00 0.00 H new ATOM 0 HB1 ALA A 123 9.935 6.347 3.770 1.00 0.00 H new ATOM 0 HB2 ALA A 123 9.136 7.069 2.353 1.00 0.00 H new ATOM 0 HB3 ALA A 123 8.180 6.642 3.792 1.00 0.00 H new ATOM 2023 N ASP A 124 7.422 3.628 4.073 1.00 0.00 N ATOM 2024 CA ASP A 124 7.155 2.638 5.102 1.00 0.00 C ATOM 2025 C ASP A 124 7.759 1.296 4.681 1.00 0.00 C ATOM 2026 O ASP A 124 8.316 0.576 5.508 1.00 0.00 O ATOM 2027 CB ASP A 124 5.651 2.438 5.297 1.00 0.00 C ATOM 2028 CG ASP A 124 5.082 3.035 6.586 1.00 0.00 C ATOM 2029 OD1 ASP A 124 5.717 3.980 7.103 1.00 0.00 O ATOM 2030 OD2 ASP A 124 4.024 2.533 7.025 1.00 0.00 O ATOM 0 H ASP A 124 6.592 4.084 3.694 1.00 0.00 H new ATOM 0 HA ASP A 124 7.596 2.993 6.034 1.00 0.00 H new ATOM 0 HB2 ASP A 124 5.128 2.879 4.448 1.00 0.00 H new ATOM 0 HB3 ASP A 124 5.437 1.369 5.284 1.00 0.00 H new ATOM 2035 N ILE A 125 7.627 1.001 3.397 1.00 0.00 N ATOM 2036 CA ILE A 125 8.152 -0.242 2.857 1.00 0.00 C ATOM 2037 C ILE A 125 9.612 -0.402 3.285 1.00 0.00 C ATOM 2038 O ILE A 125 9.980 -1.411 3.885 1.00 0.00 O ATOM 2039 CB ILE A 125 7.947 -0.297 1.342 1.00 0.00 C ATOM 2040 CG1 ILE A 125 6.961 -1.404 0.962 1.00 0.00 C ATOM 2041 CG2 ILE A 125 9.283 -0.445 0.612 1.00 0.00 C ATOM 2042 CD1 ILE A 125 7.297 -1.991 -0.410 1.00 0.00 C ATOM 0 H ILE A 125 7.164 1.601 2.714 1.00 0.00 H new ATOM 0 HA ILE A 125 7.605 -1.094 3.261 1.00 0.00 H new ATOM 0 HB ILE A 125 7.509 0.649 1.023 1.00 0.00 H new ATOM 0 HG12 ILE A 125 6.986 -2.192 1.715 1.00 0.00 H new ATOM 0 HG13 ILE A 125 5.947 -1.005 0.952 1.00 0.00 H new ATOM 0 HG21 ILE A 125 9.108 -0.482 -0.463 1.00 0.00 H new ATOM 0 HG22 ILE A 125 9.922 0.406 0.847 1.00 0.00 H new ATOM 0 HG23 ILE A 125 9.772 -1.365 0.931 1.00 0.00 H new ATOM 0 HD11 ILE A 125 6.581 -2.775 -0.655 1.00 0.00 H new ATOM 0 HD12 ILE A 125 7.247 -1.205 -1.164 1.00 0.00 H new ATOM 0 HD13 ILE A 125 8.303 -2.411 -0.390 1.00 0.00 H new ATOM 2054 N ASP A 126 10.405 0.609 2.961 1.00 0.00 N ATOM 2055 CA ASP A 126 11.817 0.593 3.305 1.00 0.00 C ATOM 2056 C ASP A 126 11.970 0.297 4.798 1.00 0.00 C ATOM 2057 O ASP A 126 12.794 -0.528 5.190 1.00 0.00 O ATOM 2058 CB ASP A 126 12.468 1.948 3.022 1.00 0.00 C ATOM 2059 CG ASP A 126 13.730 2.241 3.835 1.00 0.00 C ATOM 2060 OD1 ASP A 126 13.569 2.667 4.999 1.00 0.00 O ATOM 2061 OD2 ASP A 126 14.828 2.033 3.275 1.00 0.00 O ATOM 0 H ASP A 126 10.097 1.445 2.464 1.00 0.00 H new ATOM 0 HA ASP A 126 12.303 -0.173 2.701 1.00 0.00 H new ATOM 0 HB2 ASP A 126 12.716 2.001 1.962 1.00 0.00 H new ATOM 0 HB3 ASP A 126 11.738 2.733 3.217 1.00 0.00 H new ATOM 2066 N LYS A 127 11.164 0.987 5.591 1.00 0.00 N ATOM 2067 CA LYS A 127 11.199 0.809 7.033 1.00 0.00 C ATOM 2068 C LYS A 127 11.097 -0.682 7.361 1.00 0.00 C ATOM 2069 O LYS A 127 12.000 -1.250 7.974 1.00 0.00 O ATOM 2070 CB LYS A 127 10.121 1.661 7.705 1.00 0.00 C ATOM 2071 CG LYS A 127 10.684 3.018 8.134 1.00 0.00 C ATOM 2072 CD LYS A 127 11.627 3.582 7.070 1.00 0.00 C ATOM 2073 CE LYS A 127 11.395 5.081 6.870 1.00 0.00 C ATOM 2074 NZ LYS A 127 11.655 5.818 8.127 1.00 0.00 N ATOM 0 H LYS A 127 10.482 1.671 5.262 1.00 0.00 H new ATOM 0 HA LYS A 127 12.148 1.161 7.437 1.00 0.00 H new ATOM 0 HB2 LYS A 127 9.288 1.809 7.017 1.00 0.00 H new ATOM 0 HB3 LYS A 127 9.726 1.135 8.575 1.00 0.00 H new ATOM 0 HG2 LYS A 127 9.866 3.717 8.307 1.00 0.00 H new ATOM 0 HG3 LYS A 127 11.218 2.912 9.079 1.00 0.00 H new ATOM 0 HD2 LYS A 127 12.661 3.407 7.366 1.00 0.00 H new ATOM 0 HD3 LYS A 127 11.472 3.058 6.127 1.00 0.00 H new ATOM 0 HE2 LYS A 127 12.048 5.454 6.081 1.00 0.00 H new ATOM 0 HE3 LYS A 127 10.370 5.256 6.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 11.659 6.840 7.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 10.910 5.598 8.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 12.579 5.534 8.511 1.00 0.00 H new ATOM 2088 N TYR A 128 9.990 -1.274 6.937 1.00 0.00 N ATOM 2089 CA TYR A 128 9.758 -2.688 7.178 1.00 0.00 C ATOM 2090 C TYR A 128 10.538 -3.549 6.182 1.00 0.00 C ATOM 2091 O TYR A 128 11.517 -4.197 6.549 1.00 0.00 O ATOM 2092 CB TYR A 128 8.260 -2.912 6.965 1.00 0.00 C ATOM 2093 CG TYR A 128 7.370 -1.907 7.698 1.00 0.00 C ATOM 2094 CD1 TYR A 128 7.263 -1.954 9.073 1.00 0.00 C ATOM 2095 CD2 TYR A 128 6.673 -0.953 6.984 1.00 0.00 C ATOM 2096 CE1 TYR A 128 6.425 -1.008 9.763 1.00 0.00 C ATOM 2097 CE2 TYR A 128 5.835 -0.007 7.674 1.00 0.00 C ATOM 2098 CZ TYR A 128 5.753 -0.081 9.030 1.00 0.00 C ATOM 2099 OH TYR A 128 4.961 0.812 9.682 1.00 0.00 O ATOM 0 H TYR A 128 9.244 -0.800 6.428 1.00 0.00 H new ATOM 0 HA TYR A 128 10.083 -2.965 8.181 1.00 0.00 H new ATOM 0 HB2 TYR A 128 8.044 -2.862 5.898 1.00 0.00 H new ATOM 0 HB3 TYR A 128 8.003 -3.918 7.296 1.00 0.00 H new ATOM 0 HD1 TYR A 128 7.808 -2.701 9.632 1.00 0.00 H new ATOM 0 HD2 TYR A 128 6.756 -0.916 5.908 1.00 0.00 H new ATOM 0 HE1 TYR A 128 6.332 -1.034 10.839 1.00 0.00 H new ATOM 0 HE2 TYR A 128 5.284 0.744 7.128 1.00 0.00 H new ATOM 0 HH TYR A 128 4.544 1.415 9.032 1.00 0.00 H new ATOM 2109 N ILE A 129 10.074 -3.528 4.941 1.00 0.00 N ATOM 2110 CA ILE A 129 10.715 -4.299 3.889 1.00 0.00 C ATOM 2111 C ILE A 129 10.902 -3.413 2.656 1.00 0.00 C ATOM 2112 O ILE A 129 9.978 -3.244 1.863 1.00 0.00 O ATOM 2113 CB ILE A 129 9.930 -5.582 3.611 1.00 0.00 C ATOM 2114 CG1 ILE A 129 8.522 -5.504 4.204 1.00 0.00 C ATOM 2115 CG2 ILE A 129 10.694 -6.811 4.109 1.00 0.00 C ATOM 2116 CD1 ILE A 129 7.761 -4.297 3.651 1.00 0.00 C ATOM 0 H ILE A 129 9.262 -2.989 4.640 1.00 0.00 H new ATOM 0 HA ILE A 129 11.707 -4.622 4.204 1.00 0.00 H new ATOM 0 HB ILE A 129 9.819 -5.687 2.532 1.00 0.00 H new ATOM 0 HG12 ILE A 129 7.976 -6.419 3.975 1.00 0.00 H new ATOM 0 HG13 ILE A 129 8.584 -5.433 5.290 1.00 0.00 H new ATOM 0 HG21 ILE A 129 10.114 -7.710 3.899 1.00 0.00 H new ATOM 0 HG22 ILE A 129 11.656 -6.873 3.600 1.00 0.00 H new ATOM 0 HG23 ILE A 129 10.857 -6.727 5.183 1.00 0.00 H new ATOM 0 HD11 ILE A 129 6.763 -4.264 4.088 1.00 0.00 H new ATOM 0 HD12 ILE A 129 8.297 -3.382 3.903 1.00 0.00 H new ATOM 0 HD13 ILE A 129 7.680 -4.383 2.567 1.00 0.00 H new ATOM 2128 N ILE A 130 12.105 -2.871 2.533 1.00 0.00 N ATOM 2129 CA ILE A 130 12.426 -2.007 1.410 1.00 0.00 C ATOM 2130 C ILE A 130 11.873 -2.624 0.124 1.00 0.00 C ATOM 2131 O ILE A 130 10.684 -2.929 0.038 1.00 0.00 O ATOM 2132 CB ILE A 130 13.929 -1.727 1.361 1.00 0.00 C ATOM 2133 CG1 ILE A 130 14.731 -2.967 1.761 1.00 0.00 C ATOM 2134 CG2 ILE A 130 14.289 -0.511 2.218 1.00 0.00 C ATOM 2135 CD1 ILE A 130 15.718 -3.360 0.660 1.00 0.00 C ATOM 0 H ILE A 130 12.869 -3.014 3.193 1.00 0.00 H new ATOM 0 HA ILE A 130 11.948 -1.034 1.529 1.00 0.00 H new ATOM 0 HB ILE A 130 14.198 -1.487 0.332 1.00 0.00 H new ATOM 0 HG12 ILE A 130 15.272 -2.771 2.687 1.00 0.00 H new ATOM 0 HG13 ILE A 130 14.051 -3.796 1.958 1.00 0.00 H new ATOM 0 HG21 ILE A 130 15.363 -0.334 2.165 1.00 0.00 H new ATOM 0 HG22 ILE A 130 13.758 0.366 1.847 1.00 0.00 H new ATOM 0 HG23 ILE A 130 14.002 -0.698 3.253 1.00 0.00 H new ATOM 0 HD11 ILE A 130 16.275 -4.244 0.970 1.00 0.00 H new ATOM 0 HD12 ILE A 130 15.172 -3.578 -0.258 1.00 0.00 H new ATOM 0 HD13 ILE A 130 16.411 -2.538 0.482 1.00 0.00 H new ATOM 2147 N GLN A 131 12.762 -2.790 -0.845 1.00 0.00 N ATOM 2148 CA GLN A 131 12.378 -3.365 -2.123 1.00 0.00 C ATOM 2149 C GLN A 131 12.875 -4.808 -2.226 1.00 0.00 C ATOM 2150 O GLN A 131 12.310 -5.611 -2.966 1.00 0.00 O ATOM 2151 CB GLN A 131 12.903 -2.519 -3.285 1.00 0.00 C ATOM 2152 CG GLN A 131 13.876 -1.448 -2.787 1.00 0.00 C ATOM 2153 CD GLN A 131 13.141 -0.369 -1.988 1.00 0.00 C ATOM 2154 OE1 GLN A 131 11.844 -0.609 -1.821 1.00 0.00 O flip ATOM 2155 NE2 GLN A 131 13.715 0.616 -1.553 1.00 0.00 N flip ATOM 0 H GLN A 131 13.747 -2.536 -0.770 1.00 0.00 H new ATOM 0 HA GLN A 131 11.290 -3.371 -2.185 1.00 0.00 H new ATOM 0 HB2 GLN A 131 13.403 -3.161 -4.010 1.00 0.00 H new ATOM 0 HB3 GLN A 131 12.068 -2.045 -3.801 1.00 0.00 H new ATOM 0 HG2 GLN A 131 14.642 -1.909 -2.163 1.00 0.00 H new ATOM 0 HG3 GLN A 131 14.387 -0.993 -3.635 1.00 0.00 H new ATOM 0 HE21 GLN A 131 14.714 0.738 -1.718 1.00 0.00 H new ATOM 0 HE22 GLN A 131 13.196 1.317 -1.025 1.00 0.00 H new ATOM 2164 N ARG A 132 13.928 -5.093 -1.474 1.00 0.00 N ATOM 2165 CA ARG A 132 14.507 -6.425 -1.471 1.00 0.00 C ATOM 2166 C ARG A 132 14.591 -6.965 -0.042 1.00 0.00 C ATOM 2167 O ARG A 132 14.929 -8.130 0.166 1.00 0.00 O ATOM 2168 CB ARG A 132 15.907 -6.418 -2.089 1.00 0.00 C ATOM 2169 CG ARG A 132 16.985 -6.450 -1.005 1.00 0.00 C ATOM 2170 CD ARG A 132 17.769 -5.136 -0.971 1.00 0.00 C ATOM 2171 NE ARG A 132 19.214 -5.404 -1.140 1.00 0.00 N ATOM 2172 CZ ARG A 132 19.939 -6.164 -0.308 1.00 0.00 C ATOM 2173 NH1 ARG A 132 19.358 -6.736 0.755 1.00 0.00 N ATOM 2174 NH2 ARG A 132 21.246 -6.353 -0.539 1.00 0.00 N ATOM 0 H ARG A 132 14.395 -4.424 -0.862 1.00 0.00 H new ATOM 0 HA ARG A 132 13.861 -7.068 -2.068 1.00 0.00 H new ATOM 0 HB2 ARG A 132 16.022 -7.279 -2.747 1.00 0.00 H new ATOM 0 HB3 ARG A 132 16.032 -5.527 -2.705 1.00 0.00 H new ATOM 0 HG2 ARG A 132 16.524 -6.627 -0.034 1.00 0.00 H new ATOM 0 HG3 ARG A 132 17.667 -7.280 -1.190 1.00 0.00 H new ATOM 0 HD2 ARG A 132 17.419 -4.473 -1.762 1.00 0.00 H new ATOM 0 HD3 ARG A 132 17.594 -4.623 -0.025 1.00 0.00 H new ATOM 0 HE ARG A 132 19.688 -4.984 -1.940 1.00 0.00 H new ATOM 0 HH11 ARG A 132 18.364 -6.593 0.931 1.00 0.00 H new ATOM 0 HH12 ARG A 132 19.910 -7.315 1.388 1.00 0.00 H new ATOM 0 HH21 ARG A 132 21.689 -5.918 -1.348 1.00 0.00 H new ATOM 0 HH22 ARG A 132 21.797 -6.932 0.095 1.00 0.00 H new ATOM 2188 N LYS A 133 14.278 -6.093 0.905 1.00 0.00 N ATOM 2189 CA LYS A 133 14.314 -6.468 2.308 1.00 0.00 C ATOM 2190 C LYS A 133 15.770 -6.607 2.758 1.00 0.00 C ATOM 2191 O LYS A 133 16.472 -7.520 2.326 1.00 0.00 O ATOM 2192 CB LYS A 133 13.474 -7.724 2.549 1.00 0.00 C ATOM 2193 CG LYS A 133 13.929 -8.454 3.814 1.00 0.00 C ATOM 2194 CD LYS A 133 13.697 -7.593 5.058 1.00 0.00 C ATOM 2195 CE LYS A 133 14.710 -7.929 6.154 1.00 0.00 C ATOM 2196 NZ LYS A 133 14.946 -9.389 6.212 1.00 0.00 N ATOM 0 H LYS A 133 13.998 -5.128 0.728 1.00 0.00 H new ATOM 0 HA LYS A 133 13.863 -5.688 2.922 1.00 0.00 H new ATOM 0 HB2 LYS A 133 12.423 -7.451 2.641 1.00 0.00 H new ATOM 0 HB3 LYS A 133 13.556 -8.391 1.691 1.00 0.00 H new ATOM 0 HG2 LYS A 133 13.385 -9.394 3.911 1.00 0.00 H new ATOM 0 HG3 LYS A 133 14.987 -8.705 3.733 1.00 0.00 H new ATOM 0 HD2 LYS A 133 13.777 -6.538 4.795 1.00 0.00 H new ATOM 0 HD3 LYS A 133 12.685 -7.752 5.431 1.00 0.00 H new ATOM 0 HE2 LYS A 133 15.649 -7.410 5.961 1.00 0.00 H new ATOM 0 HE3 LYS A 133 14.343 -7.575 7.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 133 15.300 -9.646 7.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 133 14.055 -9.892 6.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 133 15.649 -9.656 5.494 1.00 0.00 H new