USER MOD reduce.3.24.130724 H: found=0, std=0, add=584, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 582 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 68 SER OG : rot -105:sc= 0.315 USER MOD Set 1.2: A 70 ASN : amide:sc= 0.293 K(o=0.61,f=-1.8!) USER MOD Single : A 7 HIS : no HE2:sc= 0.0678 K(o=0.068,f=-0.61) USER MOD Single : A 10 GLN : amide:sc=-0.00324 K(o=-0.0032,f=-1.6!) USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 89:sc= 1.17 USER MOD Single : A 15 SER OG : rot 96:sc= 1.32 USER MOD Single : A 24 SER OG : rot 55:sc= 0.91 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 79:sc= 0.308 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ -163:sc= -0.0231 (180deg=-0.343) USER MOD Single : A 39 ASN : amide:sc= -1.57! X(o=-1.6!,f=-1.9) USER MOD Single : A 42 SER OG : rot -32:sc= 0.0374 USER MOD Single : A 47 ASN :FLIP amide:sc= -0.0124 F(o=-1.1,f=-0.012) USER MOD Single : A 50 HIS : no HD1:sc= -4.3! C(o=-4.3!,f=-6.6!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -2.26! C(o=-2.3!,f=-7.3!) USER MOD Single : A 56 MET CE :methyl -163:sc= 0 (180deg=-0.354) USER MOD Single : A 58 LYS NZ :NH3+ 160:sc= -0.0377 (180deg=-0.539) USER MOD Single : A 59 LYS NZ :NH3+ -160:sc= -0.0492 (180deg=-0.878) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 72 SER OG : rot 4:sc= 1.08 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 HIS : no HE2:sc= -1.54! C(o=-1.5!,f=-6!) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 110 N HIS A 7 -7.905 -13.179 7.596 1.00 0.00 N ATOM 111 CA HIS A 7 -7.634 -13.641 6.196 1.00 0.00 C ATOM 112 C HIS A 7 -6.138 -13.443 5.862 1.00 0.00 C ATOM 113 O HIS A 7 -5.499 -12.566 6.409 1.00 0.00 O ATOM 114 CB HIS A 7 -8.508 -12.818 5.222 1.00 0.00 C ATOM 115 CG HIS A 7 -9.924 -13.342 5.222 1.00 0.00 C ATOM 116 ND1 HIS A 7 -10.474 -13.988 6.317 1.00 0.00 N ATOM 117 CD2 HIS A 7 -10.906 -13.329 4.262 1.00 0.00 C ATOM 118 CE1 HIS A 7 -11.732 -14.338 5.992 1.00 0.00 C ATOM 119 NE2 HIS A 7 -12.046 -13.961 4.751 1.00 0.00 N ATOM 0 HA HIS A 7 -7.876 -14.699 6.100 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -8.501 -11.768 5.514 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -8.093 -12.871 4.216 1.00 0.00 H new ATOM 0 HD1 HIS A 7 -10.010 -14.166 7.208 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -10.809 -12.895 3.278 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -12.406 -14.861 6.655 1.00 0.00 H new ATOM 127 N PRO A 8 -5.572 -14.248 4.984 1.00 0.00 N ATOM 128 CA PRO A 8 -4.124 -14.128 4.620 1.00 0.00 C ATOM 129 C PRO A 8 -3.767 -12.713 4.127 1.00 0.00 C ATOM 130 O PRO A 8 -4.333 -12.205 3.181 1.00 0.00 O ATOM 131 CB PRO A 8 -3.913 -15.203 3.517 1.00 0.00 C ATOM 132 CG PRO A 8 -5.294 -15.577 3.050 1.00 0.00 C ATOM 133 CD PRO A 8 -6.225 -15.349 4.245 1.00 0.00 C ATOM 0 HA PRO A 8 -3.471 -14.288 5.478 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -3.314 -14.810 2.695 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -3.384 -16.071 3.911 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -5.596 -14.966 2.199 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -5.327 -16.617 2.724 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -7.231 -15.077 3.924 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -6.318 -16.245 4.859 1.00 0.00 H new ATOM 141 N LEU A 9 -2.824 -12.087 4.778 1.00 0.00 N ATOM 142 CA LEU A 9 -2.404 -10.712 4.381 1.00 0.00 C ATOM 143 C LEU A 9 -1.774 -10.752 2.985 1.00 0.00 C ATOM 144 O LEU A 9 -1.977 -9.867 2.178 1.00 0.00 O ATOM 145 CB LEU A 9 -1.368 -10.193 5.386 1.00 0.00 C ATOM 146 CG LEU A 9 -2.006 -10.015 6.782 1.00 0.00 C ATOM 147 CD1 LEU A 9 -0.895 -9.725 7.802 1.00 0.00 C ATOM 148 CD2 LEU A 9 -3.035 -8.853 6.785 1.00 0.00 C ATOM 0 H LEU A 9 -2.321 -12.474 5.577 1.00 0.00 H new ATOM 0 HA LEU A 9 -3.273 -10.054 4.370 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -0.533 -10.890 5.448 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -0.964 -9.241 5.041 1.00 0.00 H new ATOM 0 HG LEU A 9 -2.534 -10.931 7.047 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -1.334 -9.597 8.792 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -0.192 -10.558 7.821 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -0.369 -8.813 7.518 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -3.467 -8.752 7.781 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -2.535 -7.924 6.510 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -3.826 -9.066 6.066 1.00 0.00 H new ATOM 160 N GLN A 10 -0.998 -11.766 2.702 1.00 0.00 N ATOM 161 CA GLN A 10 -0.336 -11.860 1.367 1.00 0.00 C ATOM 162 C GLN A 10 -1.385 -11.746 0.258 1.00 0.00 C ATOM 163 O GLN A 10 -1.231 -10.988 -0.678 1.00 0.00 O ATOM 164 CB GLN A 10 0.377 -13.216 1.264 1.00 0.00 C ATOM 165 CG GLN A 10 1.181 -13.284 -0.037 1.00 0.00 C ATOM 166 CD GLN A 10 1.957 -14.601 -0.094 1.00 0.00 C ATOM 167 OE1 GLN A 10 2.138 -15.258 0.910 1.00 0.00 O ATOM 168 NE2 GLN A 10 2.430 -15.015 -1.238 1.00 0.00 N ATOM 0 H GLN A 10 -0.794 -12.535 3.340 1.00 0.00 H new ATOM 0 HA GLN A 10 0.385 -11.050 1.256 1.00 0.00 H new ATOM 0 HB2 GLN A 10 1.039 -13.354 2.119 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -0.354 -14.024 1.293 1.00 0.00 H new ATOM 0 HG2 GLN A 10 0.512 -13.207 -0.894 1.00 0.00 H new ATOM 0 HG3 GLN A 10 1.870 -12.442 -0.095 1.00 0.00 H new ATOM 0 HE21 GLN A 10 2.278 -14.463 -2.082 1.00 0.00 H new ATOM 0 HE22 GLN A 10 2.951 -15.890 -1.288 1.00 0.00 H new ATOM 177 N ASP A 11 -2.451 -12.485 0.359 1.00 0.00 N ATOM 178 CA ASP A 11 -3.508 -12.410 -0.685 1.00 0.00 C ATOM 179 C ASP A 11 -4.138 -11.013 -0.670 1.00 0.00 C ATOM 180 O ASP A 11 -4.432 -10.443 -1.702 1.00 0.00 O ATOM 181 CB ASP A 11 -4.587 -13.455 -0.387 1.00 0.00 C ATOM 182 CG ASP A 11 -4.027 -14.863 -0.620 1.00 0.00 C ATOM 183 OD1 ASP A 11 -2.989 -14.973 -1.252 1.00 0.00 O ATOM 184 OD2 ASP A 11 -4.648 -15.807 -0.160 1.00 0.00 O ATOM 0 H ASP A 11 -2.637 -13.139 1.120 1.00 0.00 H new ATOM 0 HA ASP A 11 -3.070 -12.603 -1.664 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -4.927 -13.355 0.644 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -5.454 -13.288 -1.027 1.00 0.00 H new ATOM 189 N MET A 12 -4.358 -10.464 0.495 1.00 0.00 N ATOM 190 CA MET A 12 -4.982 -9.113 0.577 1.00 0.00 C ATOM 191 C MET A 12 -4.085 -8.077 -0.105 1.00 0.00 C ATOM 192 O MET A 12 -4.527 -7.325 -0.952 1.00 0.00 O ATOM 193 CB MET A 12 -5.173 -8.748 2.054 1.00 0.00 C ATOM 194 CG MET A 12 -5.846 -7.378 2.176 1.00 0.00 C ATOM 195 SD MET A 12 -6.265 -7.068 3.912 1.00 0.00 S ATOM 196 CE MET A 12 -7.925 -7.796 3.903 1.00 0.00 C ATOM 0 H MET A 12 -4.132 -10.893 1.392 1.00 0.00 H new ATOM 0 HA MET A 12 -5.947 -9.122 0.070 1.00 0.00 H new ATOM 0 HB2 MET A 12 -5.781 -9.506 2.548 1.00 0.00 H new ATOM 0 HB3 MET A 12 -4.208 -8.734 2.561 1.00 0.00 H new ATOM 0 HG2 MET A 12 -5.180 -6.599 1.806 1.00 0.00 H new ATOM 0 HG3 MET A 12 -6.746 -7.346 1.562 1.00 0.00 H new ATOM 0 HE1 MET A 12 -8.367 -7.707 4.896 1.00 0.00 H new ATOM 0 HE2 MET A 12 -8.549 -7.271 3.180 1.00 0.00 H new ATOM 0 HE3 MET A 12 -7.859 -8.849 3.628 1.00 0.00 H new ATOM 206 N PHE A 13 -2.826 -8.029 0.247 1.00 0.00 N ATOM 207 CA PHE A 13 -1.910 -7.040 -0.398 1.00 0.00 C ATOM 208 C PHE A 13 -1.656 -7.440 -1.856 1.00 0.00 C ATOM 209 O PHE A 13 -1.607 -6.605 -2.735 1.00 0.00 O ATOM 210 CB PHE A 13 -0.574 -6.983 0.368 1.00 0.00 C ATOM 211 CG PHE A 13 -0.767 -6.271 1.697 1.00 0.00 C ATOM 212 CD1 PHE A 13 -0.980 -4.886 1.710 1.00 0.00 C ATOM 213 CD2 PHE A 13 -0.731 -6.980 2.910 1.00 0.00 C ATOM 214 CE1 PHE A 13 -1.156 -4.211 2.923 1.00 0.00 C ATOM 215 CE2 PHE A 13 -0.907 -6.303 4.124 1.00 0.00 C ATOM 216 CZ PHE A 13 -1.118 -4.919 4.130 1.00 0.00 C ATOM 0 H PHE A 13 -2.394 -8.629 0.950 1.00 0.00 H new ATOM 0 HA PHE A 13 -2.377 -6.055 -0.373 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -0.199 -7.992 0.538 1.00 0.00 H new ATOM 0 HB3 PHE A 13 0.175 -6.461 -0.228 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -1.008 -4.337 0.780 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -0.568 -8.048 2.906 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -1.321 -3.144 2.928 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -0.880 -6.849 5.055 1.00 0.00 H new ATOM 0 HZ PHE A 13 -1.252 -4.397 5.066 1.00 0.00 H new ATOM 226 N THR A 14 -1.486 -8.706 -2.119 1.00 0.00 N ATOM 227 CA THR A 14 -1.219 -9.140 -3.521 1.00 0.00 C ATOM 228 C THR A 14 -2.407 -8.769 -4.411 1.00 0.00 C ATOM 229 O THR A 14 -2.245 -8.207 -5.476 1.00 0.00 O ATOM 230 CB THR A 14 -1.016 -10.661 -3.548 1.00 0.00 C ATOM 231 OG1 THR A 14 0.094 -10.998 -2.733 1.00 0.00 O ATOM 232 CG2 THR A 14 -0.744 -11.128 -4.982 1.00 0.00 C ATOM 0 H THR A 14 -1.520 -9.456 -1.429 1.00 0.00 H new ATOM 0 HA THR A 14 -0.323 -8.642 -3.892 1.00 0.00 H new ATOM 0 HB THR A 14 -1.916 -11.149 -3.175 1.00 0.00 H new ATOM 0 HG1 THR A 14 -0.210 -11.151 -1.814 1.00 0.00 H new ATOM 0 HG21 THR A 14 -0.601 -12.209 -4.992 1.00 0.00 H new ATOM 0 HG22 THR A 14 -1.592 -10.868 -5.616 1.00 0.00 H new ATOM 0 HG23 THR A 14 0.155 -10.640 -5.359 1.00 0.00 H new ATOM 240 N SER A 15 -3.599 -9.083 -3.989 1.00 0.00 N ATOM 241 CA SER A 15 -4.790 -8.754 -4.817 1.00 0.00 C ATOM 242 C SER A 15 -4.913 -7.238 -4.990 1.00 0.00 C ATOM 243 O SER A 15 -5.210 -6.751 -6.062 1.00 0.00 O ATOM 244 CB SER A 15 -6.048 -9.291 -4.134 1.00 0.00 C ATOM 245 OG SER A 15 -5.884 -10.680 -3.877 1.00 0.00 O ATOM 0 H SER A 15 -3.800 -9.553 -3.106 1.00 0.00 H new ATOM 0 HA SER A 15 -4.677 -9.215 -5.798 1.00 0.00 H new ATOM 0 HB2 SER A 15 -6.227 -8.755 -3.202 1.00 0.00 H new ATOM 0 HB3 SER A 15 -6.919 -9.127 -4.768 1.00 0.00 H new ATOM 0 HG SER A 15 -5.574 -10.808 -2.956 1.00 0.00 H new ATOM 251 N ALA A 16 -4.706 -6.485 -3.942 1.00 0.00 N ATOM 252 CA ALA A 16 -4.833 -5.002 -4.050 1.00 0.00 C ATOM 253 C ALA A 16 -3.692 -4.412 -4.883 1.00 0.00 C ATOM 254 O ALA A 16 -3.915 -3.603 -5.759 1.00 0.00 O ATOM 255 CB ALA A 16 -4.795 -4.387 -2.649 1.00 0.00 C ATOM 0 H ALA A 16 -4.455 -6.833 -3.017 1.00 0.00 H new ATOM 0 HA ALA A 16 -5.779 -4.774 -4.541 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -4.888 -3.304 -2.725 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -5.620 -4.781 -2.056 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -3.850 -4.638 -2.167 1.00 0.00 H new ATOM 261 N ILE A 17 -2.472 -4.786 -4.605 1.00 0.00 N ATOM 262 CA ILE A 17 -1.325 -4.214 -5.369 1.00 0.00 C ATOM 263 C ILE A 17 -1.437 -4.608 -6.845 1.00 0.00 C ATOM 264 O ILE A 17 -1.262 -3.792 -7.727 1.00 0.00 O ATOM 265 CB ILE A 17 -0.013 -4.762 -4.779 1.00 0.00 C ATOM 266 CG1 ILE A 17 0.159 -4.232 -3.341 1.00 0.00 C ATOM 267 CG2 ILE A 17 1.188 -4.310 -5.637 1.00 0.00 C ATOM 268 CD1 ILE A 17 1.275 -5.007 -2.629 1.00 0.00 C ATOM 0 H ILE A 17 -2.220 -5.461 -3.883 1.00 0.00 H new ATOM 0 HA ILE A 17 -1.336 -3.127 -5.294 1.00 0.00 H new ATOM 0 HB ILE A 17 -0.054 -5.851 -4.772 1.00 0.00 H new ATOM 0 HG12 ILE A 17 0.399 -3.169 -3.362 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -0.776 -4.337 -2.791 1.00 0.00 H new ATOM 0 HG21 ILE A 17 2.110 -4.704 -5.209 1.00 0.00 H new ATOM 0 HG22 ILE A 17 1.071 -4.685 -6.654 1.00 0.00 H new ATOM 0 HG23 ILE A 17 1.233 -3.221 -5.655 1.00 0.00 H new ATOM 0 HD11 ILE A 17 1.391 -4.627 -1.614 1.00 0.00 H new ATOM 0 HD12 ILE A 17 1.017 -6.066 -2.593 1.00 0.00 H new ATOM 0 HD13 ILE A 17 2.211 -4.880 -3.173 1.00 0.00 H new ATOM 280 N GLU A 18 -1.728 -5.848 -7.120 1.00 0.00 N ATOM 281 CA GLU A 18 -1.841 -6.288 -8.539 1.00 0.00 C ATOM 282 C GLU A 18 -3.024 -5.583 -9.205 1.00 0.00 C ATOM 283 O GLU A 18 -2.989 -5.271 -10.379 1.00 0.00 O ATOM 284 CB GLU A 18 -2.045 -7.806 -8.590 1.00 0.00 C ATOM 285 CG GLU A 18 -0.765 -8.512 -8.126 1.00 0.00 C ATOM 286 CD GLU A 18 -0.991 -10.028 -8.081 1.00 0.00 C ATOM 287 OE1 GLU A 18 -2.110 -10.453 -8.327 1.00 0.00 O ATOM 288 OE2 GLU A 18 -0.037 -10.738 -7.811 1.00 0.00 O ATOM 0 H GLU A 18 -1.893 -6.576 -6.425 1.00 0.00 H new ATOM 0 HA GLU A 18 -0.926 -6.030 -9.072 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -2.882 -8.092 -7.953 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -2.296 -8.116 -9.604 1.00 0.00 H new ATOM 0 HG2 GLU A 18 0.056 -8.278 -8.804 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -0.477 -8.149 -7.139 1.00 0.00 H new ATOM 295 N ALA A 19 -4.070 -5.333 -8.470 1.00 0.00 N ATOM 296 CA ALA A 19 -5.251 -4.653 -9.070 1.00 0.00 C ATOM 297 C ALA A 19 -4.865 -3.245 -9.540 1.00 0.00 C ATOM 298 O ALA A 19 -5.312 -2.796 -10.575 1.00 0.00 O ATOM 299 CB ALA A 19 -6.366 -4.553 -8.028 1.00 0.00 C ATOM 0 H ALA A 19 -4.159 -5.569 -7.482 1.00 0.00 H new ATOM 0 HA ALA A 19 -5.598 -5.232 -9.926 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -7.231 -4.055 -8.467 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -6.650 -5.554 -7.702 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -6.013 -3.979 -7.171 1.00 0.00 H new ATOM 305 N VAL A 20 -4.042 -2.546 -8.781 1.00 0.00 N ATOM 306 CA VAL A 20 -3.619 -1.150 -9.167 1.00 0.00 C ATOM 307 C VAL A 20 -2.117 -1.115 -9.477 1.00 0.00 C ATOM 308 O VAL A 20 -1.515 -0.061 -9.528 1.00 0.00 O ATOM 309 CB VAL A 20 -3.940 -0.175 -8.021 1.00 0.00 C ATOM 310 CG1 VAL A 20 -5.421 -0.310 -7.650 1.00 0.00 C ATOM 311 CG2 VAL A 20 -3.068 -0.479 -6.790 1.00 0.00 C ATOM 0 H VAL A 20 -3.643 -2.884 -7.906 1.00 0.00 H new ATOM 0 HA VAL A 20 -4.167 -0.850 -10.060 1.00 0.00 H new ATOM 0 HB VAL A 20 -3.729 0.843 -8.350 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -5.657 0.378 -6.838 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -6.037 -0.072 -8.518 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -5.624 -1.332 -7.330 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -3.310 0.221 -5.991 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -3.260 -1.497 -6.451 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -2.016 -0.377 -7.055 1.00 0.00 H new ATOM 321 N ALA A 21 -1.499 -2.248 -9.693 1.00 0.00 N ATOM 322 CA ALA A 21 -0.035 -2.257 -10.008 1.00 0.00 C ATOM 323 C ALA A 21 0.225 -1.512 -11.332 1.00 0.00 C ATOM 324 O ALA A 21 1.276 -1.654 -11.921 1.00 0.00 O ATOM 325 CB ALA A 21 0.457 -3.716 -10.129 1.00 0.00 C ATOM 0 H ALA A 21 -1.942 -3.166 -9.665 1.00 0.00 H new ATOM 0 HA ALA A 21 0.506 -1.755 -9.206 1.00 0.00 H new ATOM 0 HB1 ALA A 21 1.523 -3.723 -10.358 1.00 0.00 H new ATOM 0 HB2 ALA A 21 0.285 -4.237 -9.187 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -0.089 -4.219 -10.927 1.00 0.00 H new ATOM 331 N ARG A 22 -0.720 -0.743 -11.813 1.00 0.00 N ATOM 332 CA ARG A 22 -0.521 -0.014 -13.100 1.00 0.00 C ATOM 333 C ARG A 22 0.666 0.951 -12.976 1.00 0.00 C ATOM 334 O ARG A 22 1.662 0.636 -12.362 1.00 0.00 O ATOM 335 CB ARG A 22 -1.807 0.756 -13.441 1.00 0.00 C ATOM 336 CG ARG A 22 -2.927 -0.257 -13.695 1.00 0.00 C ATOM 337 CD ARG A 22 -4.279 0.453 -13.947 1.00 0.00 C ATOM 338 NE ARG A 22 -4.074 1.768 -14.651 1.00 0.00 N ATOM 339 CZ ARG A 22 -5.041 2.307 -15.367 1.00 0.00 C ATOM 340 NH1 ARG A 22 -6.143 1.645 -15.612 1.00 0.00 N ATOM 341 NH2 ARG A 22 -4.898 3.513 -15.852 1.00 0.00 N ATOM 0 H ARG A 22 -1.624 -0.589 -11.366 1.00 0.00 H new ATOM 0 HA ARG A 22 -0.304 -0.724 -13.898 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -2.078 1.423 -12.622 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -1.653 1.379 -14.322 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -2.673 -0.876 -14.555 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -3.018 -0.924 -12.838 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -4.924 -0.188 -14.547 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -4.789 0.620 -12.998 1.00 0.00 H new ATOM 0 HE ARG A 22 -3.177 2.247 -14.573 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -6.262 0.700 -15.247 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -6.883 2.074 -16.167 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -4.039 4.035 -15.676 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -5.645 3.932 -16.406 1.00 0.00 H new ATOM 355 N ASP A 23 0.577 2.114 -13.571 1.00 0.00 N ATOM 356 CA ASP A 23 1.705 3.089 -13.504 1.00 0.00 C ATOM 357 C ASP A 23 2.992 2.405 -13.987 1.00 0.00 C ATOM 358 O ASP A 23 3.324 2.447 -15.155 1.00 0.00 O ATOM 359 CB ASP A 23 1.884 3.592 -12.061 1.00 0.00 C ATOM 360 CG ASP A 23 0.707 4.494 -11.674 1.00 0.00 C ATOM 361 OD1 ASP A 23 -0.025 4.902 -12.562 1.00 0.00 O ATOM 362 OD2 ASP A 23 0.560 4.762 -10.493 1.00 0.00 O ATOM 0 H ASP A 23 -0.234 2.430 -14.103 1.00 0.00 H new ATOM 0 HA ASP A 23 1.485 3.943 -14.144 1.00 0.00 H new ATOM 0 HB2 ASP A 23 1.946 2.746 -11.377 1.00 0.00 H new ATOM 0 HB3 ASP A 23 2.820 4.143 -11.972 1.00 0.00 H new ATOM 367 N SER A 24 3.716 1.770 -13.102 1.00 0.00 N ATOM 368 CA SER A 24 4.977 1.080 -13.514 1.00 0.00 C ATOM 369 C SER A 24 5.367 0.043 -12.459 1.00 0.00 C ATOM 370 O SER A 24 6.316 0.219 -11.724 1.00 0.00 O ATOM 371 CB SER A 24 6.095 2.113 -13.645 1.00 0.00 C ATOM 372 OG SER A 24 6.315 2.724 -12.381 1.00 0.00 O ATOM 0 H SER A 24 3.489 1.699 -12.110 1.00 0.00 H new ATOM 0 HA SER A 24 4.821 0.580 -14.470 1.00 0.00 H new ATOM 0 HB2 SER A 24 7.010 1.635 -13.996 1.00 0.00 H new ATOM 0 HB3 SER A 24 5.826 2.867 -14.385 1.00 0.00 H new ATOM 0 HG SER A 24 6.487 2.032 -11.709 1.00 0.00 H new ATOM 378 N GLY A 25 4.645 -1.044 -12.385 1.00 0.00 N ATOM 379 CA GLY A 25 4.978 -2.100 -11.382 1.00 0.00 C ATOM 380 C GLY A 25 4.637 -1.613 -9.971 1.00 0.00 C ATOM 381 O GLY A 25 3.828 -2.200 -9.282 1.00 0.00 O ATOM 0 H GLY A 25 3.839 -1.247 -12.976 1.00 0.00 H new ATOM 0 HA2 GLY A 25 4.423 -3.011 -11.604 1.00 0.00 H new ATOM 0 HA3 GLY A 25 6.037 -2.349 -11.443 1.00 0.00 H new ATOM 385 N TRP A 26 5.256 -0.547 -9.534 1.00 0.00 N ATOM 386 CA TRP A 26 4.976 -0.025 -8.161 1.00 0.00 C ATOM 387 C TRP A 26 3.470 0.195 -7.986 1.00 0.00 C ATOM 388 O TRP A 26 2.691 -0.021 -8.894 1.00 0.00 O ATOM 389 CB TRP A 26 5.711 1.307 -7.965 1.00 0.00 C ATOM 390 CG TRP A 26 7.190 1.078 -8.027 1.00 0.00 C ATOM 391 CD1 TRP A 26 7.957 1.253 -9.129 1.00 0.00 C ATOM 392 CD2 TRP A 26 8.088 0.632 -6.970 1.00 0.00 C ATOM 393 NE1 TRP A 26 9.268 0.936 -8.816 1.00 0.00 N ATOM 394 CE2 TRP A 26 9.399 0.548 -7.497 1.00 0.00 C ATOM 395 CE3 TRP A 26 7.895 0.292 -5.618 1.00 0.00 C ATOM 396 CZ2 TRP A 26 10.478 0.140 -6.712 1.00 0.00 C ATOM 397 CZ3 TRP A 26 8.977 -0.120 -4.827 1.00 0.00 C ATOM 398 CH2 TRP A 26 10.266 -0.197 -5.372 1.00 0.00 C ATOM 0 H TRP A 26 5.943 -0.015 -10.068 1.00 0.00 H new ATOM 0 HA TRP A 26 5.322 -0.749 -7.423 1.00 0.00 H new ATOM 0 HB2 TRP A 26 5.410 2.017 -8.735 1.00 0.00 H new ATOM 0 HB3 TRP A 26 5.441 1.745 -7.004 1.00 0.00 H new ATOM 0 HD1 TRP A 26 7.604 1.585 -10.094 1.00 0.00 H new ATOM 0 HE1 TRP A 26 10.042 0.983 -9.478 1.00 0.00 H new ATOM 0 HE3 TRP A 26 6.906 0.349 -5.187 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 11.470 0.085 -7.137 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 8.816 -0.380 -3.791 1.00 0.00 H new ATOM 0 HH2 TRP A 26 11.095 -0.516 -4.757 1.00 0.00 H new ATOM 409 N ALA A 27 3.056 0.626 -6.823 1.00 0.00 N ATOM 410 CA ALA A 27 1.604 0.873 -6.571 1.00 0.00 C ATOM 411 C ALA A 27 1.474 1.947 -5.490 1.00 0.00 C ATOM 412 O ALA A 27 2.084 1.861 -4.444 1.00 0.00 O ATOM 413 CB ALA A 27 0.947 -0.429 -6.091 1.00 0.00 C ATOM 0 H ALA A 27 3.667 0.819 -6.030 1.00 0.00 H new ATOM 0 HA ALA A 27 1.112 1.207 -7.484 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -0.113 -0.255 -5.905 1.00 0.00 H new ATOM 0 HB2 ALA A 27 1.060 -1.197 -6.856 1.00 0.00 H new ATOM 0 HB3 ALA A 27 1.427 -0.761 -5.170 1.00 0.00 H new ATOM 419 N GLU A 28 0.691 2.962 -5.733 1.00 0.00 N ATOM 420 CA GLU A 28 0.538 4.038 -4.714 1.00 0.00 C ATOM 421 C GLU A 28 -0.135 3.466 -3.466 1.00 0.00 C ATOM 422 O GLU A 28 -1.176 2.847 -3.538 1.00 0.00 O ATOM 423 CB GLU A 28 -0.314 5.172 -5.295 1.00 0.00 C ATOM 424 CG GLU A 28 0.463 5.868 -6.420 1.00 0.00 C ATOM 425 CD GLU A 28 -0.411 6.944 -7.072 1.00 0.00 C ATOM 426 OE1 GLU A 28 -1.532 7.131 -6.623 1.00 0.00 O ATOM 427 OE2 GLU A 28 0.057 7.567 -8.011 1.00 0.00 O ATOM 0 H GLU A 28 0.153 3.093 -6.589 1.00 0.00 H new ATOM 0 HA GLU A 28 1.519 4.429 -4.443 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -1.254 4.776 -5.679 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -0.566 5.889 -4.514 1.00 0.00 H new ATOM 0 HG2 GLU A 28 1.372 6.319 -6.021 1.00 0.00 H new ATOM 0 HG3 GLU A 28 0.771 5.136 -7.167 1.00 0.00 H new ATOM 434 N LEU A 29 0.466 3.657 -2.321 1.00 0.00 N ATOM 435 CA LEU A 29 -0.117 3.108 -1.063 1.00 0.00 C ATOM 436 C LEU A 29 -1.538 3.656 -0.886 1.00 0.00 C ATOM 437 O LEU A 29 -2.436 2.951 -0.469 1.00 0.00 O ATOM 438 CB LEU A 29 0.758 3.541 0.131 1.00 0.00 C ATOM 439 CG LEU A 29 0.364 2.767 1.424 1.00 0.00 C ATOM 440 CD1 LEU A 29 1.082 1.403 1.480 1.00 0.00 C ATOM 441 CD2 LEU A 29 0.763 3.585 2.668 1.00 0.00 C ATOM 0 H LEU A 29 1.339 4.172 -2.203 1.00 0.00 H new ATOM 0 HA LEU A 29 -0.151 2.020 -1.113 1.00 0.00 H new ATOM 0 HB2 LEU A 29 1.808 3.360 -0.099 1.00 0.00 H new ATOM 0 HB3 LEU A 29 0.648 4.613 0.297 1.00 0.00 H new ATOM 0 HG LEU A 29 -0.714 2.609 1.409 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.794 0.877 2.390 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.799 0.807 0.612 1.00 0.00 H new ATOM 0 HD13 LEU A 29 2.161 1.559 1.477 1.00 0.00 H new ATOM 0 HD21 LEU A 29 0.484 3.037 3.568 1.00 0.00 H new ATOM 0 HD22 LEU A 29 1.840 3.752 2.664 1.00 0.00 H new ATOM 0 HD23 LEU A 29 0.247 4.545 2.653 1.00 0.00 H new ATOM 453 N SER A 30 -1.752 4.903 -1.208 1.00 0.00 N ATOM 454 CA SER A 30 -3.117 5.487 -1.064 1.00 0.00 C ATOM 455 C SER A 30 -4.110 4.658 -1.883 1.00 0.00 C ATOM 456 O SER A 30 -5.205 4.370 -1.441 1.00 0.00 O ATOM 457 CB SER A 30 -3.111 6.925 -1.582 1.00 0.00 C ATOM 458 OG SER A 30 -2.174 7.689 -0.836 1.00 0.00 O ATOM 0 H SER A 30 -1.042 5.542 -1.564 1.00 0.00 H new ATOM 0 HA SER A 30 -3.410 5.479 -0.014 1.00 0.00 H new ATOM 0 HB2 SER A 30 -2.850 6.941 -2.640 1.00 0.00 H new ATOM 0 HB3 SER A 30 -4.106 7.360 -1.492 1.00 0.00 H new ATOM 0 HG SER A 30 -2.167 8.611 -1.167 1.00 0.00 H new ATOM 464 N ALA A 31 -3.736 4.264 -3.071 1.00 0.00 N ATOM 465 CA ALA A 31 -4.658 3.449 -3.908 1.00 0.00 C ATOM 466 C ALA A 31 -4.914 2.106 -3.219 1.00 0.00 C ATOM 467 O ALA A 31 -6.013 1.586 -3.241 1.00 0.00 O ATOM 468 CB ALA A 31 -4.025 3.204 -5.281 1.00 0.00 C ATOM 0 H ALA A 31 -2.832 4.472 -3.496 1.00 0.00 H new ATOM 0 HA ALA A 31 -5.600 3.982 -4.034 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -4.702 2.607 -5.892 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.840 4.159 -5.772 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -3.082 2.671 -5.157 1.00 0.00 H new ATOM 474 N VAL A 32 -3.909 1.537 -2.609 1.00 0.00 N ATOM 475 CA VAL A 32 -4.099 0.228 -1.925 1.00 0.00 C ATOM 476 C VAL A 32 -5.110 0.396 -0.786 1.00 0.00 C ATOM 477 O VAL A 32 -6.033 -0.380 -0.644 1.00 0.00 O ATOM 478 CB VAL A 32 -2.754 -0.243 -1.357 1.00 0.00 C ATOM 479 CG1 VAL A 32 -2.934 -1.574 -0.609 1.00 0.00 C ATOM 480 CG2 VAL A 32 -1.755 -0.427 -2.507 1.00 0.00 C ATOM 0 H VAL A 32 -2.966 1.923 -2.555 1.00 0.00 H new ATOM 0 HA VAL A 32 -4.472 -0.511 -2.634 1.00 0.00 H new ATOM 0 HB VAL A 32 -2.376 0.505 -0.659 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -1.974 -1.900 -0.210 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -3.640 -1.438 0.210 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -3.316 -2.329 -1.296 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -0.798 -0.762 -2.107 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -2.137 -1.172 -3.205 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -1.620 0.522 -3.027 1.00 0.00 H new ATOM 490 N GLY A 33 -4.944 1.402 0.029 1.00 0.00 N ATOM 491 CA GLY A 33 -5.894 1.611 1.158 1.00 0.00 C ATOM 492 C GLY A 33 -7.297 1.887 0.614 1.00 0.00 C ATOM 493 O GLY A 33 -8.263 1.278 1.027 1.00 0.00 O ATOM 0 H GLY A 33 -4.192 2.088 -0.038 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -5.910 0.730 1.799 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -5.562 2.447 1.774 1.00 0.00 H new ATOM 497 N SER A 34 -7.416 2.798 -0.310 1.00 0.00 N ATOM 498 CA SER A 34 -8.758 3.110 -0.881 1.00 0.00 C ATOM 499 C SER A 34 -9.323 1.867 -1.575 1.00 0.00 C ATOM 500 O SER A 34 -10.491 1.553 -1.456 1.00 0.00 O ATOM 501 CB SER A 34 -8.631 4.246 -1.893 1.00 0.00 C ATOM 502 OG SER A 34 -8.058 5.379 -1.256 1.00 0.00 O ATOM 0 H SER A 34 -6.643 3.341 -0.695 1.00 0.00 H new ATOM 0 HA SER A 34 -9.430 3.413 -0.078 1.00 0.00 H new ATOM 0 HB2 SER A 34 -8.010 3.933 -2.732 1.00 0.00 H new ATOM 0 HB3 SER A 34 -9.611 4.499 -2.298 1.00 0.00 H new ATOM 0 HG SER A 34 -7.088 5.259 -1.186 1.00 0.00 H new ATOM 508 N TYR A 35 -8.503 1.161 -2.307 1.00 0.00 N ATOM 509 CA TYR A 35 -8.991 -0.056 -3.017 1.00 0.00 C ATOM 510 C TYR A 35 -9.513 -1.069 -1.993 1.00 0.00 C ATOM 511 O TYR A 35 -10.577 -1.633 -2.149 1.00 0.00 O ATOM 512 CB TYR A 35 -7.833 -0.673 -3.812 1.00 0.00 C ATOM 513 CG TYR A 35 -8.295 -1.948 -4.493 1.00 0.00 C ATOM 514 CD1 TYR A 35 -8.944 -1.879 -5.733 1.00 0.00 C ATOM 515 CD2 TYR A 35 -8.079 -3.195 -3.888 1.00 0.00 C ATOM 516 CE1 TYR A 35 -9.377 -3.051 -6.365 1.00 0.00 C ATOM 517 CE2 TYR A 35 -8.511 -4.366 -4.521 1.00 0.00 C ATOM 518 CZ TYR A 35 -9.158 -4.294 -5.761 1.00 0.00 C ATOM 519 OH TYR A 35 -9.585 -5.450 -6.385 1.00 0.00 O ATOM 0 H TYR A 35 -7.515 1.375 -2.444 1.00 0.00 H new ATOM 0 HA TYR A 35 -9.798 0.213 -3.699 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -7.473 0.037 -4.556 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -6.997 -0.888 -3.146 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -9.110 -0.920 -6.202 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -7.579 -3.251 -2.933 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -9.880 -2.996 -7.319 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -8.345 -5.325 -4.053 1.00 0.00 H new ATOM 0 HH TYR A 35 -9.353 -6.225 -5.832 1.00 0.00 H new ATOM 529 N LEU A 36 -8.771 -1.300 -0.946 1.00 0.00 N ATOM 530 CA LEU A 36 -9.222 -2.273 0.087 1.00 0.00 C ATOM 531 C LEU A 36 -10.516 -1.763 0.725 1.00 0.00 C ATOM 532 O LEU A 36 -11.422 -2.522 0.993 1.00 0.00 O ATOM 533 CB LEU A 36 -8.135 -2.429 1.161 1.00 0.00 C ATOM 534 CG LEU A 36 -6.890 -3.145 0.579 1.00 0.00 C ATOM 535 CD1 LEU A 36 -5.712 -2.977 1.554 1.00 0.00 C ATOM 536 CD2 LEU A 36 -7.161 -4.655 0.369 1.00 0.00 C ATOM 0 H LEU A 36 -7.871 -0.857 -0.761 1.00 0.00 H new ATOM 0 HA LEU A 36 -9.403 -3.243 -0.376 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -7.851 -1.449 1.544 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -8.528 -2.999 2.003 1.00 0.00 H new ATOM 0 HG LEU A 36 -6.655 -2.698 -0.387 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -4.832 -3.478 1.151 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -5.497 -1.917 1.686 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -5.971 -3.417 2.517 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -6.270 -5.131 -0.040 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -7.412 -5.116 1.324 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -7.992 -4.782 -0.325 1.00 0.00 H new ATOM 548 N ALA A 37 -10.611 -0.484 0.971 1.00 0.00 N ATOM 549 CA ALA A 37 -11.853 0.058 1.592 1.00 0.00 C ATOM 550 C ALA A 37 -13.053 -0.284 0.704 1.00 0.00 C ATOM 551 O ALA A 37 -14.101 -0.671 1.180 1.00 0.00 O ATOM 552 CB ALA A 37 -11.735 1.579 1.726 1.00 0.00 C ATOM 0 H ALA A 37 -9.887 0.205 0.770 1.00 0.00 H new ATOM 0 HA ALA A 37 -11.991 -0.383 2.579 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -12.643 1.976 2.180 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -10.878 1.824 2.354 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -11.599 2.022 0.739 1.00 0.00 H new ATOM 558 N LYS A 38 -12.904 -0.149 -0.586 1.00 0.00 N ATOM 559 CA LYS A 38 -14.034 -0.468 -1.506 1.00 0.00 C ATOM 560 C LYS A 38 -14.371 -1.959 -1.408 1.00 0.00 C ATOM 561 O LYS A 38 -15.521 -2.343 -1.364 1.00 0.00 O ATOM 562 CB LYS A 38 -13.622 -0.134 -2.941 1.00 0.00 C ATOM 563 CG LYS A 38 -13.451 1.381 -3.085 1.00 0.00 C ATOM 564 CD LYS A 38 -12.981 1.709 -4.503 1.00 0.00 C ATOM 565 CE LYS A 38 -12.750 3.215 -4.628 1.00 0.00 C ATOM 566 NZ LYS A 38 -14.050 3.929 -4.495 1.00 0.00 N ATOM 0 H LYS A 38 -12.049 0.168 -1.043 1.00 0.00 H new ATOM 0 HA LYS A 38 -14.909 0.119 -1.227 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -12.690 -0.641 -3.190 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -14.377 -0.493 -3.640 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -14.395 1.885 -2.877 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -12.727 1.747 -2.357 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -12.061 1.169 -4.726 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -13.726 1.383 -5.229 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -12.057 3.553 -3.857 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -12.293 3.445 -5.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -13.952 4.899 -4.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -14.779 3.427 -5.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -14.328 3.961 -3.493 1.00 0.00 H new ATOM 580 N ASN A 39 -13.370 -2.805 -1.377 1.00 0.00 N ATOM 581 CA ASN A 39 -13.618 -4.282 -1.284 1.00 0.00 C ATOM 582 C ASN A 39 -13.660 -4.691 0.187 1.00 0.00 C ATOM 583 O ASN A 39 -13.765 -5.855 0.518 1.00 0.00 O ATOM 584 CB ASN A 39 -12.481 -5.026 -1.987 1.00 0.00 C ATOM 585 CG ASN A 39 -12.495 -4.686 -3.478 1.00 0.00 C ATOM 586 OD1 ASN A 39 -13.521 -4.772 -4.123 1.00 0.00 O ATOM 587 ND2 ASN A 39 -11.394 -4.297 -4.058 1.00 0.00 N ATOM 0 H ASN A 39 -12.387 -2.537 -1.412 1.00 0.00 H new ATOM 0 HA ASN A 39 -14.567 -4.530 -1.760 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -11.523 -4.747 -1.548 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -12.594 -6.101 -1.847 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -11.395 -4.066 -5.051 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -10.532 -4.224 -3.518 1.00 0.00 H new ATOM 594 N ASP A 40 -13.578 -3.736 1.070 1.00 0.00 N ATOM 595 CA ASP A 40 -13.611 -4.050 2.525 1.00 0.00 C ATOM 596 C ASP A 40 -13.795 -2.741 3.307 1.00 0.00 C ATOM 597 O ASP A 40 -12.854 -2.214 3.867 1.00 0.00 O ATOM 598 CB ASP A 40 -12.291 -4.717 2.936 1.00 0.00 C ATOM 599 CG ASP A 40 -12.407 -5.254 4.366 1.00 0.00 C ATOM 600 OD1 ASP A 40 -12.997 -6.308 4.534 1.00 0.00 O ATOM 601 OD2 ASP A 40 -11.904 -4.603 5.266 1.00 0.00 O ATOM 0 H ASP A 40 -13.489 -2.745 0.845 1.00 0.00 H new ATOM 0 HA ASP A 40 -14.435 -4.730 2.742 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -12.054 -5.530 2.250 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -11.474 -3.998 2.872 1.00 0.00 H new ATOM 606 N PRO A 41 -14.999 -2.213 3.346 1.00 0.00 N ATOM 607 CA PRO A 41 -15.286 -0.940 4.076 1.00 0.00 C ATOM 608 C PRO A 41 -14.830 -1.020 5.536 1.00 0.00 C ATOM 609 O PRO A 41 -14.488 -0.029 6.150 1.00 0.00 O ATOM 610 CB PRO A 41 -16.824 -0.795 3.972 1.00 0.00 C ATOM 611 CG PRO A 41 -17.194 -1.577 2.748 1.00 0.00 C ATOM 612 CD PRO A 41 -16.212 -2.758 2.704 1.00 0.00 C ATOM 0 HA PRO A 41 -14.755 -0.086 3.656 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -17.320 -1.188 4.859 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -17.119 0.250 3.879 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -18.225 -1.926 2.802 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -17.111 -0.964 1.851 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -16.598 -3.623 3.243 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -16.016 -3.081 1.681 1.00 0.00 H new ATOM 620 N SER A 42 -14.816 -2.199 6.087 1.00 0.00 N ATOM 621 CA SER A 42 -14.380 -2.361 7.498 1.00 0.00 C ATOM 622 C SER A 42 -12.911 -1.949 7.632 1.00 0.00 C ATOM 623 O SER A 42 -12.420 -1.732 8.722 1.00 0.00 O ATOM 624 CB SER A 42 -14.532 -3.826 7.903 1.00 0.00 C ATOM 625 OG SER A 42 -14.179 -3.977 9.271 1.00 0.00 O ATOM 0 H SER A 42 -15.090 -3.062 5.617 1.00 0.00 H new ATOM 0 HA SER A 42 -14.993 -1.732 8.144 1.00 0.00 H new ATOM 0 HB2 SER A 42 -15.559 -4.154 7.743 1.00 0.00 H new ATOM 0 HB3 SER A 42 -13.896 -4.455 7.280 1.00 0.00 H new ATOM 0 HG SER A 42 -13.484 -3.326 9.503 1.00 0.00 H new ATOM 631 N PHE A 43 -12.204 -1.840 6.535 1.00 0.00 N ATOM 632 CA PHE A 43 -10.765 -1.444 6.611 1.00 0.00 C ATOM 633 C PHE A 43 -10.673 0.061 6.909 1.00 0.00 C ATOM 634 O PHE A 43 -11.325 0.871 6.279 1.00 0.00 O ATOM 635 CB PHE A 43 -10.062 -1.780 5.269 1.00 0.00 C ATOM 636 CG PHE A 43 -8.583 -2.065 5.503 1.00 0.00 C ATOM 637 CD1 PHE A 43 -8.216 -3.200 6.234 1.00 0.00 C ATOM 638 CD2 PHE A 43 -7.587 -1.214 4.992 1.00 0.00 C ATOM 639 CE1 PHE A 43 -6.865 -3.486 6.461 1.00 0.00 C ATOM 640 CE2 PHE A 43 -6.233 -1.503 5.222 1.00 0.00 C ATOM 641 CZ PHE A 43 -5.875 -2.638 5.956 1.00 0.00 C ATOM 0 H PHE A 43 -12.560 -2.007 5.594 1.00 0.00 H new ATOM 0 HA PHE A 43 -10.267 -1.994 7.409 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -10.538 -2.646 4.808 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -10.173 -0.948 4.574 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -8.978 -3.858 6.625 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -7.864 -0.339 4.423 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -6.587 -4.363 7.027 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -5.467 -0.849 4.832 1.00 0.00 H new ATOM 0 HZ PHE A 43 -4.833 -2.860 6.133 1.00 0.00 H new ATOM 651 N ASP A 44 -9.867 0.427 7.874 1.00 0.00 N ATOM 652 CA ASP A 44 -9.708 1.869 8.256 1.00 0.00 C ATOM 653 C ASP A 44 -8.220 2.161 8.520 1.00 0.00 C ATOM 654 O ASP A 44 -7.780 2.152 9.654 1.00 0.00 O ATOM 655 CB ASP A 44 -10.518 2.139 9.531 1.00 0.00 C ATOM 656 CG ASP A 44 -10.213 1.063 10.579 1.00 0.00 C ATOM 657 OD1 ASP A 44 -9.335 0.251 10.335 1.00 0.00 O ATOM 658 OD2 ASP A 44 -10.864 1.069 11.611 1.00 0.00 O ATOM 0 H ASP A 44 -9.302 -0.221 8.423 1.00 0.00 H new ATOM 0 HA ASP A 44 -10.066 2.510 7.451 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -10.273 3.125 9.927 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -11.584 2.144 9.301 1.00 0.00 H new ATOM 663 N PRO A 45 -7.445 2.424 7.486 1.00 0.00 N ATOM 664 CA PRO A 45 -5.982 2.726 7.631 1.00 0.00 C ATOM 665 C PRO A 45 -5.773 3.945 8.531 1.00 0.00 C ATOM 666 O PRO A 45 -4.742 4.136 9.142 1.00 0.00 O ATOM 667 CB PRO A 45 -5.522 3.031 6.181 1.00 0.00 C ATOM 668 CG PRO A 45 -6.543 2.366 5.307 1.00 0.00 C ATOM 669 CD PRO A 45 -7.867 2.466 6.073 1.00 0.00 C ATOM 0 HA PRO A 45 -5.423 1.909 8.088 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -5.482 4.104 5.996 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -4.523 2.638 5.992 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -6.612 2.861 4.338 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -6.278 1.326 5.116 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -8.398 3.388 5.839 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -8.537 1.641 5.828 1.00 0.00 H new ATOM 677 N ARG A 46 -6.767 4.766 8.589 1.00 0.00 N ATOM 678 CA ARG A 46 -6.702 5.991 9.413 1.00 0.00 C ATOM 679 C ARG A 46 -6.660 5.617 10.899 1.00 0.00 C ATOM 680 O ARG A 46 -5.916 6.185 11.672 1.00 0.00 O ATOM 681 CB ARG A 46 -7.955 6.808 9.098 1.00 0.00 C ATOM 682 CG ARG A 46 -7.902 7.334 7.632 1.00 0.00 C ATOM 683 CD ARG A 46 -7.080 8.629 7.546 1.00 0.00 C ATOM 684 NE ARG A 46 -7.680 9.612 8.499 1.00 0.00 N ATOM 685 CZ ARG A 46 -8.684 10.371 8.142 1.00 0.00 C ATOM 686 NH1 ARG A 46 -8.934 10.605 6.882 1.00 0.00 N ATOM 687 NH2 ARG A 46 -9.397 10.954 9.063 1.00 0.00 N ATOM 0 H ARG A 46 -7.646 4.638 8.087 1.00 0.00 H new ATOM 0 HA ARG A 46 -5.805 6.569 9.192 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -8.844 6.193 9.239 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -8.034 7.646 9.790 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -7.462 6.575 6.984 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -8.914 7.515 7.269 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -6.037 8.438 7.800 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -7.094 9.024 6.530 1.00 0.00 H new ATOM 0 HE ARG A 46 -7.301 9.692 9.442 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -8.343 10.194 6.160 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -9.721 11.199 6.620 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -9.170 10.816 10.048 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -10.183 11.549 8.800 1.00 0.00 H new ATOM 701 N ASN A 47 -7.457 4.666 11.301 1.00 0.00 N ATOM 702 CA ASN A 47 -7.469 4.255 12.733 1.00 0.00 C ATOM 703 C ASN A 47 -6.186 3.473 13.043 1.00 0.00 C ATOM 704 O ASN A 47 -5.865 3.220 14.186 1.00 0.00 O ATOM 705 CB ASN A 47 -8.694 3.364 12.992 1.00 0.00 C ATOM 706 CG ASN A 47 -9.966 4.220 13.011 1.00 0.00 C ATOM 707 OD1 ASN A 47 -10.420 4.719 11.894 1.00 0.00 O flip ATOM 708 ND2 ASN A 47 -10.547 4.444 14.054 1.00 0.00 N flip ATOM 0 H ASN A 47 -8.102 4.155 10.698 1.00 0.00 H new ATOM 0 HA ASN A 47 -7.520 5.136 13.373 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -8.770 2.601 12.217 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -8.581 2.843 13.943 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -10.194 4.055 14.928 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -11.388 5.021 14.056 1.00 0.00 H new ATOM 715 N TRP A 48 -5.451 3.086 12.030 1.00 0.00 N ATOM 716 CA TRP A 48 -4.188 2.317 12.265 1.00 0.00 C ATOM 717 C TRP A 48 -3.050 3.290 12.617 1.00 0.00 C ATOM 718 O TRP A 48 -1.950 2.869 12.907 1.00 0.00 O ATOM 719 CB TRP A 48 -3.835 1.516 10.978 1.00 0.00 C ATOM 720 CG TRP A 48 -4.421 0.136 11.034 1.00 0.00 C ATOM 721 CD1 TRP A 48 -5.550 -0.267 10.405 1.00 0.00 C ATOM 722 CD2 TRP A 48 -3.913 -1.026 11.748 1.00 0.00 C ATOM 723 NE1 TRP A 48 -5.765 -1.603 10.688 1.00 0.00 N ATOM 724 CE2 TRP A 48 -4.784 -2.114 11.513 1.00 0.00 C ATOM 725 CE3 TRP A 48 -2.791 -1.236 12.568 1.00 0.00 C ATOM 726 CZ2 TRP A 48 -4.547 -3.369 12.073 1.00 0.00 C ATOM 727 CZ3 TRP A 48 -2.551 -2.497 13.135 1.00 0.00 C ATOM 728 CH2 TRP A 48 -3.428 -3.562 12.888 1.00 0.00 C ATOM 0 H TRP A 48 -5.670 3.269 11.051 1.00 0.00 H new ATOM 0 HA TRP A 48 -4.323 1.623 13.095 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -4.213 2.042 10.101 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -2.752 1.452 10.869 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -6.179 0.353 9.784 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -6.552 -2.145 10.331 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -2.109 -0.422 12.763 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -5.224 -4.187 11.878 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -1.687 -2.648 13.765 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -3.239 -4.531 13.327 1.00 0.00 H new ATOM 739 N GLY A 49 -3.306 4.581 12.606 1.00 0.00 N ATOM 740 CA GLY A 49 -2.239 5.592 12.944 1.00 0.00 C ATOM 741 C GLY A 49 -1.975 6.476 11.720 1.00 0.00 C ATOM 742 O GLY A 49 -1.000 7.196 11.665 1.00 0.00 O ATOM 0 H GLY A 49 -4.215 4.983 12.376 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -2.556 6.205 13.788 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -1.323 5.084 13.245 1.00 0.00 H new ATOM 746 N HIS A 50 -2.847 6.424 10.744 1.00 0.00 N ATOM 747 CA HIS A 50 -2.678 7.258 9.511 1.00 0.00 C ATOM 748 C HIS A 50 -1.321 6.985 8.853 1.00 0.00 C ATOM 749 O HIS A 50 -0.281 7.340 9.370 1.00 0.00 O ATOM 750 CB HIS A 50 -2.784 8.742 9.876 1.00 0.00 C ATOM 751 CG HIS A 50 -4.061 8.977 10.632 1.00 0.00 C ATOM 752 ND1 HIS A 50 -4.283 8.439 11.891 1.00 0.00 N ATOM 753 CD2 HIS A 50 -5.195 9.686 10.324 1.00 0.00 C ATOM 754 CE1 HIS A 50 -5.507 8.830 12.289 1.00 0.00 C ATOM 755 NE2 HIS A 50 -6.105 9.593 11.371 1.00 0.00 N ATOM 0 H HIS A 50 -3.678 5.833 10.748 1.00 0.00 H new ATOM 0 HA HIS A 50 -3.465 6.996 8.804 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -1.929 9.041 10.482 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -2.765 9.353 8.973 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -5.356 10.233 9.407 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -5.952 8.560 13.235 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -7.031 10.017 11.426 1.00 0.00 H new ATOM 763 N GLY A 51 -1.329 6.360 7.704 1.00 0.00 N ATOM 764 CA GLY A 51 -0.048 6.064 6.993 1.00 0.00 C ATOM 765 C GLY A 51 0.693 4.944 7.721 1.00 0.00 C ATOM 766 O GLY A 51 1.709 4.453 7.264 1.00 0.00 O ATOM 0 H GLY A 51 -2.171 6.040 7.225 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -0.251 5.770 5.963 1.00 0.00 H new ATOM 0 HA3 GLY A 51 0.573 6.959 6.953 1.00 0.00 H new ATOM 770 N ARG A 52 0.194 4.539 8.854 1.00 0.00 N ATOM 771 CA ARG A 52 0.868 3.458 9.623 1.00 0.00 C ATOM 772 C ARG A 52 0.769 2.148 8.835 1.00 0.00 C ATOM 773 O ARG A 52 1.376 1.154 9.182 1.00 0.00 O ATOM 774 CB ARG A 52 0.170 3.317 10.995 1.00 0.00 C ATOM 775 CG ARG A 52 1.088 2.600 12.026 1.00 0.00 C ATOM 776 CD ARG A 52 2.094 3.592 12.667 1.00 0.00 C ATOM 777 NE ARG A 52 1.470 4.235 13.875 1.00 0.00 N ATOM 778 CZ ARG A 52 1.784 5.463 14.239 1.00 0.00 C ATOM 779 NH1 ARG A 52 2.621 6.180 13.532 1.00 0.00 N ATOM 780 NH2 ARG A 52 1.255 5.975 15.320 1.00 0.00 N ATOM 0 H ARG A 52 -0.654 4.911 9.282 1.00 0.00 H new ATOM 0 HA ARG A 52 1.920 3.697 9.779 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -0.101 4.304 11.371 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -0.757 2.755 10.878 1.00 0.00 H new ATOM 0 HG2 ARG A 52 0.477 2.143 12.805 1.00 0.00 H new ATOM 0 HG3 ARG A 52 1.632 1.794 11.534 1.00 0.00 H new ATOM 0 HD2 ARG A 52 3.006 3.067 12.952 1.00 0.00 H new ATOM 0 HD3 ARG A 52 2.379 4.355 11.943 1.00 0.00 H new ATOM 0 HE ARG A 52 0.789 3.710 14.424 1.00 0.00 H new ATOM 0 HH11 ARG A 52 3.039 5.790 12.687 1.00 0.00 H new ATOM 0 HH12 ARG A 52 2.855 7.128 13.826 1.00 0.00 H new ATOM 0 HH21 ARG A 52 0.602 5.425 15.878 1.00 0.00 H new ATOM 0 HH22 ARG A 52 1.495 6.924 15.605 1.00 0.00 H new ATOM 794 N LEU A 53 0.020 2.149 7.769 1.00 0.00 N ATOM 795 CA LEU A 53 -0.109 0.915 6.948 1.00 0.00 C ATOM 796 C LEU A 53 1.270 0.552 6.392 1.00 0.00 C ATOM 797 O LEU A 53 1.660 -0.598 6.388 1.00 0.00 O ATOM 798 CB LEU A 53 -1.097 1.180 5.802 1.00 0.00 C ATOM 799 CG LEU A 53 -1.219 -0.037 4.862 1.00 0.00 C ATOM 800 CD1 LEU A 53 -1.678 -1.292 5.637 1.00 0.00 C ATOM 801 CD2 LEU A 53 -2.240 0.301 3.764 1.00 0.00 C ATOM 0 H LEU A 53 -0.509 2.953 7.431 1.00 0.00 H new ATOM 0 HA LEU A 53 -0.482 0.087 7.551 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -2.077 1.421 6.214 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -0.769 2.049 5.232 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.245 -0.254 4.424 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.756 -2.135 4.951 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.952 -1.524 6.416 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.650 -1.103 6.092 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -2.341 -0.548 3.088 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -3.206 0.519 4.220 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -1.898 1.172 3.205 1.00 0.00 H new ATOM 813 N SER A 54 2.011 1.523 5.925 1.00 0.00 N ATOM 814 CA SER A 54 3.367 1.229 5.375 1.00 0.00 C ATOM 815 C SER A 54 4.253 0.651 6.480 1.00 0.00 C ATOM 816 O SER A 54 4.980 -0.300 6.275 1.00 0.00 O ATOM 817 CB SER A 54 3.998 2.517 4.848 1.00 0.00 C ATOM 818 OG SER A 54 5.271 2.223 4.289 1.00 0.00 O ATOM 0 H SER A 54 1.736 2.505 5.901 1.00 0.00 H new ATOM 0 HA SER A 54 3.276 0.508 4.563 1.00 0.00 H new ATOM 0 HB2 SER A 54 3.353 2.969 4.095 1.00 0.00 H new ATOM 0 HB3 SER A 54 4.101 3.242 5.656 1.00 0.00 H new ATOM 0 HG SER A 54 5.677 3.047 3.949 1.00 0.00 H new ATOM 824 N GLN A 55 4.202 1.225 7.649 1.00 0.00 N ATOM 825 CA GLN A 55 5.040 0.715 8.769 1.00 0.00 C ATOM 826 C GLN A 55 4.484 -0.631 9.249 1.00 0.00 C ATOM 827 O GLN A 55 5.206 -1.461 9.761 1.00 0.00 O ATOM 828 CB GLN A 55 5.019 1.728 9.925 1.00 0.00 C ATOM 829 CG GLN A 55 5.803 2.987 9.529 1.00 0.00 C ATOM 830 CD GLN A 55 5.092 3.695 8.373 1.00 0.00 C ATOM 831 OE1 GLN A 55 3.881 3.794 8.357 1.00 0.00 O ATOM 832 NE2 GLN A 55 5.796 4.193 7.394 1.00 0.00 N ATOM 0 H GLN A 55 3.615 2.027 7.878 1.00 0.00 H new ATOM 0 HA GLN A 55 6.066 0.580 8.427 1.00 0.00 H new ATOM 0 HB2 GLN A 55 3.990 1.992 10.171 1.00 0.00 H new ATOM 0 HB3 GLN A 55 5.456 1.283 10.819 1.00 0.00 H new ATOM 0 HG2 GLN A 55 5.887 3.659 10.383 1.00 0.00 H new ATOM 0 HG3 GLN A 55 6.817 2.718 9.235 1.00 0.00 H new ATOM 0 HE21 GLN A 55 6.813 4.112 7.404 1.00 0.00 H new ATOM 0 HE22 GLN A 55 5.330 4.664 6.618 1.00 0.00 H new ATOM 841 N MET A 56 3.206 -0.853 9.092 1.00 0.00 N ATOM 842 CA MET A 56 2.616 -2.145 9.546 1.00 0.00 C ATOM 843 C MET A 56 3.144 -3.292 8.675 1.00 0.00 C ATOM 844 O MET A 56 3.547 -4.324 9.175 1.00 0.00 O ATOM 845 CB MET A 56 1.090 -2.073 9.432 1.00 0.00 C ATOM 846 CG MET A 56 0.461 -3.344 10.019 1.00 0.00 C ATOM 847 SD MET A 56 -1.347 -3.214 9.947 1.00 0.00 S ATOM 848 CE MET A 56 -1.583 -3.924 8.296 1.00 0.00 C ATOM 0 H MET A 56 2.548 -0.198 8.671 1.00 0.00 H new ATOM 0 HA MET A 56 2.897 -2.327 10.583 1.00 0.00 H new ATOM 0 HB2 MET A 56 0.718 -1.195 9.961 1.00 0.00 H new ATOM 0 HB3 MET A 56 0.800 -1.962 8.387 1.00 0.00 H new ATOM 0 HG2 MET A 56 0.796 -4.219 9.462 1.00 0.00 H new ATOM 0 HG3 MET A 56 0.786 -3.480 11.051 1.00 0.00 H new ATOM 0 HE1 MET A 56 -2.577 -3.668 7.929 1.00 0.00 H new ATOM 0 HE2 MET A 56 -0.831 -3.523 7.617 1.00 0.00 H new ATOM 0 HE3 MET A 56 -1.484 -5.008 8.349 1.00 0.00 H new ATOM 858 N VAL A 57 3.135 -3.129 7.375 1.00 0.00 N ATOM 859 CA VAL A 57 3.627 -4.220 6.477 1.00 0.00 C ATOM 860 C VAL A 57 5.152 -4.314 6.567 1.00 0.00 C ATOM 861 O VAL A 57 5.751 -5.282 6.141 1.00 0.00 O ATOM 862 CB VAL A 57 3.210 -3.932 5.031 1.00 0.00 C ATOM 863 CG1 VAL A 57 1.683 -3.937 4.933 1.00 0.00 C ATOM 864 CG2 VAL A 57 3.736 -2.563 4.599 1.00 0.00 C ATOM 0 H VAL A 57 2.809 -2.289 6.897 1.00 0.00 H new ATOM 0 HA VAL A 57 3.189 -5.167 6.792 1.00 0.00 H new ATOM 0 HB VAL A 57 3.626 -4.700 4.380 1.00 0.00 H new ATOM 0 HG11 VAL A 57 1.384 -3.732 3.905 1.00 0.00 H new ATOM 0 HG12 VAL A 57 1.302 -4.913 5.234 1.00 0.00 H new ATOM 0 HG13 VAL A 57 1.274 -3.169 5.590 1.00 0.00 H new ATOM 0 HG21 VAL A 57 3.435 -2.366 3.570 1.00 0.00 H new ATOM 0 HG22 VAL A 57 3.324 -1.793 5.251 1.00 0.00 H new ATOM 0 HG23 VAL A 57 4.824 -2.553 4.667 1.00 0.00 H new ATOM 874 N LYS A 58 5.780 -3.315 7.116 1.00 0.00 N ATOM 875 CA LYS A 58 7.265 -3.331 7.233 1.00 0.00 C ATOM 876 C LYS A 58 7.708 -4.544 8.054 1.00 0.00 C ATOM 877 O LYS A 58 8.805 -5.040 7.896 1.00 0.00 O ATOM 878 CB LYS A 58 7.730 -2.045 7.921 1.00 0.00 C ATOM 879 CG LYS A 58 9.259 -1.961 7.891 1.00 0.00 C ATOM 880 CD LYS A 58 9.705 -0.644 8.530 1.00 0.00 C ATOM 881 CE LYS A 58 11.231 -0.546 8.492 1.00 0.00 C ATOM 882 NZ LYS A 58 11.691 -0.504 7.077 1.00 0.00 N ATOM 0 H LYS A 58 5.327 -2.482 7.492 1.00 0.00 H new ATOM 0 HA LYS A 58 7.707 -3.395 6.239 1.00 0.00 H new ATOM 0 HB2 LYS A 58 7.300 -1.178 7.420 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.376 -2.025 8.952 1.00 0.00 H new ATOM 0 HG2 LYS A 58 9.692 -2.805 8.429 1.00 0.00 H new ATOM 0 HG3 LYS A 58 9.618 -2.020 6.864 1.00 0.00 H new ATOM 0 HD2 LYS A 58 9.263 0.198 7.998 1.00 0.00 H new ATOM 0 HD3 LYS A 58 9.353 -0.590 9.560 1.00 0.00 H new ATOM 0 HE2 LYS A 58 11.562 0.349 9.020 1.00 0.00 H new ATOM 0 HE3 LYS A 58 11.674 -1.400 9.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 12.651 -0.106 7.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 11.698 -1.468 6.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 11.045 0.091 6.520 1.00 0.00 H new ATOM 896 N LYS A 59 6.868 -5.029 8.933 1.00 0.00 N ATOM 897 CA LYS A 59 7.255 -6.210 9.764 1.00 0.00 C ATOM 898 C LYS A 59 7.063 -7.493 8.947 1.00 0.00 C ATOM 899 O LYS A 59 7.382 -8.575 9.396 1.00 0.00 O ATOM 900 CB LYS A 59 6.358 -6.269 11.004 1.00 0.00 C ATOM 901 CG LYS A 59 6.529 -4.987 11.828 1.00 0.00 C ATOM 902 CD LYS A 59 5.796 -5.118 13.174 1.00 0.00 C ATOM 903 CE LYS A 59 4.286 -5.343 12.958 1.00 0.00 C ATOM 904 NZ LYS A 59 3.794 -4.476 11.850 1.00 0.00 N ATOM 0 H LYS A 59 5.934 -4.660 9.111 1.00 0.00 H new ATOM 0 HA LYS A 59 8.299 -6.118 10.064 1.00 0.00 H new ATOM 0 HB2 LYS A 59 5.316 -6.385 10.706 1.00 0.00 H new ATOM 0 HB3 LYS A 59 6.615 -7.139 11.609 1.00 0.00 H new ATOM 0 HG2 LYS A 59 7.588 -4.795 12.000 1.00 0.00 H new ATOM 0 HG3 LYS A 59 6.136 -4.135 11.273 1.00 0.00 H new ATOM 0 HD2 LYS A 59 6.214 -5.950 13.741 1.00 0.00 H new ATOM 0 HD3 LYS A 59 5.952 -4.217 13.767 1.00 0.00 H new ATOM 0 HE2 LYS A 59 4.096 -6.390 12.723 1.00 0.00 H new ATOM 0 HE3 LYS A 59 3.742 -5.119 13.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 2.762 -4.369 11.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 4.245 -3.541 11.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 4.031 -4.912 10.936 1.00 0.00 H new ATOM 918 N LEU A 60 6.546 -7.374 7.745 1.00 0.00 N ATOM 919 CA LEU A 60 6.327 -8.579 6.875 1.00 0.00 C ATOM 920 C LEU A 60 7.486 -8.682 5.874 1.00 0.00 C ATOM 921 O LEU A 60 7.625 -7.871 4.980 1.00 0.00 O ATOM 922 CB LEU A 60 5.004 -8.414 6.121 1.00 0.00 C ATOM 923 CG LEU A 60 3.861 -8.120 7.112 1.00 0.00 C ATOM 924 CD1 LEU A 60 2.558 -7.916 6.329 1.00 0.00 C ATOM 925 CD2 LEU A 60 3.693 -9.285 8.113 1.00 0.00 C ATOM 0 H LEU A 60 6.264 -6.488 7.326 1.00 0.00 H new ATOM 0 HA LEU A 60 6.287 -9.484 7.482 1.00 0.00 H new ATOM 0 HB2 LEU A 60 5.087 -7.602 5.399 1.00 0.00 H new ATOM 0 HB3 LEU A 60 4.783 -9.320 5.557 1.00 0.00 H new ATOM 0 HG LEU A 60 4.102 -7.218 7.674 1.00 0.00 H new ATOM 0 HD11 LEU A 60 1.745 -7.708 7.024 1.00 0.00 H new ATOM 0 HD12 LEU A 60 2.673 -7.077 5.643 1.00 0.00 H new ATOM 0 HD13 LEU A 60 2.329 -8.819 5.763 1.00 0.00 H new ATOM 0 HD21 LEU A 60 2.881 -9.057 8.804 1.00 0.00 H new ATOM 0 HD22 LEU A 60 3.461 -10.201 7.570 1.00 0.00 H new ATOM 0 HD23 LEU A 60 4.618 -9.420 8.673 1.00 0.00 H new ATOM 937 N ASP A 61 8.328 -9.665 6.037 1.00 0.00 N ATOM 938 CA ASP A 61 9.499 -9.825 5.122 1.00 0.00 C ATOM 939 C ASP A 61 9.047 -10.127 3.682 1.00 0.00 C ATOM 940 O ASP A 61 9.643 -9.659 2.732 1.00 0.00 O ATOM 941 CB ASP A 61 10.379 -10.976 5.633 1.00 0.00 C ATOM 942 CG ASP A 61 11.082 -10.566 6.935 1.00 0.00 C ATOM 943 OD1 ASP A 61 11.020 -9.397 7.280 1.00 0.00 O ATOM 944 OD2 ASP A 61 11.669 -11.430 7.565 1.00 0.00 O ATOM 0 H ASP A 61 8.256 -10.371 6.770 1.00 0.00 H new ATOM 0 HA ASP A 61 10.061 -8.891 5.112 1.00 0.00 H new ATOM 0 HB2 ASP A 61 9.768 -11.862 5.804 1.00 0.00 H new ATOM 0 HB3 ASP A 61 11.120 -11.240 4.878 1.00 0.00 H new ATOM 949 N PHE A 62 8.025 -10.925 3.503 1.00 0.00 N ATOM 950 CA PHE A 62 7.583 -11.270 2.112 1.00 0.00 C ATOM 951 C PHE A 62 6.943 -10.059 1.416 1.00 0.00 C ATOM 952 O PHE A 62 6.212 -10.206 0.457 1.00 0.00 O ATOM 953 CB PHE A 62 6.582 -12.432 2.163 1.00 0.00 C ATOM 954 CG PHE A 62 5.375 -12.052 2.997 1.00 0.00 C ATOM 955 CD1 PHE A 62 5.373 -12.288 4.380 1.00 0.00 C ATOM 956 CD2 PHE A 62 4.251 -11.476 2.388 1.00 0.00 C ATOM 957 CE1 PHE A 62 4.253 -11.951 5.148 1.00 0.00 C ATOM 958 CE2 PHE A 62 3.133 -11.138 3.157 1.00 0.00 C ATOM 959 CZ PHE A 62 3.133 -11.374 4.536 1.00 0.00 C ATOM 0 H PHE A 62 7.479 -11.351 4.252 1.00 0.00 H new ATOM 0 HA PHE A 62 8.460 -11.566 1.537 1.00 0.00 H new ATOM 0 HB2 PHE A 62 6.267 -12.693 1.153 1.00 0.00 H new ATOM 0 HB3 PHE A 62 7.061 -13.315 2.586 1.00 0.00 H new ATOM 0 HD1 PHE A 62 6.237 -12.731 4.853 1.00 0.00 H new ATOM 0 HD2 PHE A 62 4.249 -11.293 1.324 1.00 0.00 H new ATOM 0 HE1 PHE A 62 4.252 -12.136 6.212 1.00 0.00 H new ATOM 0 HE2 PHE A 62 2.268 -10.694 2.686 1.00 0.00 H new ATOM 0 HZ PHE A 62 2.269 -11.111 5.129 1.00 0.00 H new ATOM 969 N LEU A 63 7.229 -8.863 1.876 1.00 0.00 N ATOM 970 CA LEU A 63 6.664 -7.620 1.240 1.00 0.00 C ATOM 971 C LEU A 63 7.766 -6.554 1.162 1.00 0.00 C ATOM 972 O LEU A 63 8.456 -6.284 2.125 1.00 0.00 O ATOM 973 CB LEU A 63 5.473 -7.102 2.088 1.00 0.00 C ATOM 974 CG LEU A 63 4.156 -7.855 1.725 1.00 0.00 C ATOM 975 CD1 LEU A 63 3.180 -7.825 2.911 1.00 0.00 C ATOM 976 CD2 LEU A 63 3.470 -7.182 0.522 1.00 0.00 C ATOM 0 H LEU A 63 7.838 -8.689 2.676 1.00 0.00 H new ATOM 0 HA LEU A 63 6.308 -7.842 0.234 1.00 0.00 H new ATOM 0 HB2 LEU A 63 5.692 -7.235 3.147 1.00 0.00 H new ATOM 0 HB3 LEU A 63 5.342 -6.033 1.922 1.00 0.00 H new ATOM 0 HG LEU A 63 4.415 -8.885 1.480 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.266 -8.354 2.643 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.640 -8.308 3.773 1.00 0.00 H new ATOM 0 HD13 LEU A 63 2.941 -6.791 3.160 1.00 0.00 H new ATOM 0 HD21 LEU A 63 2.552 -7.718 0.280 1.00 0.00 H new ATOM 0 HD22 LEU A 63 3.231 -6.148 0.771 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.140 -7.203 -0.337 1.00 0.00 H new ATOM 988 N THR A 64 7.926 -5.940 0.016 1.00 0.00 N ATOM 989 CA THR A 64 8.969 -4.875 -0.154 1.00 0.00 C ATOM 990 C THR A 64 8.326 -3.512 0.112 1.00 0.00 C ATOM 991 O THR A 64 7.243 -3.236 -0.363 1.00 0.00 O ATOM 992 CB THR A 64 9.500 -4.921 -1.591 1.00 0.00 C ATOM 993 OG1 THR A 64 10.046 -6.207 -1.849 1.00 0.00 O ATOM 994 CG2 THR A 64 10.589 -3.861 -1.778 1.00 0.00 C ATOM 0 H THR A 64 7.373 -6.132 -0.820 1.00 0.00 H new ATOM 0 HA THR A 64 9.792 -5.036 0.542 1.00 0.00 H new ATOM 0 HB THR A 64 8.682 -4.721 -2.283 1.00 0.00 H new ATOM 0 HG1 THR A 64 10.385 -6.240 -2.768 1.00 0.00 H new ATOM 0 HG21 THR A 64 10.962 -3.899 -2.801 1.00 0.00 H new ATOM 0 HG22 THR A 64 10.173 -2.873 -1.580 1.00 0.00 H new ATOM 0 HG23 THR A 64 11.408 -4.055 -1.086 1.00 0.00 H new ATOM 1002 N VAL A 65 8.981 -2.659 0.872 1.00 0.00 N ATOM 1003 CA VAL A 65 8.418 -1.300 1.188 1.00 0.00 C ATOM 1004 C VAL A 65 9.407 -0.228 0.736 1.00 0.00 C ATOM 1005 O VAL A 65 10.583 -0.278 1.038 1.00 0.00 O ATOM 1006 CB VAL A 65 8.213 -1.181 2.702 1.00 0.00 C ATOM 1007 CG1 VAL A 65 7.648 0.205 3.055 1.00 0.00 C ATOM 1008 CG2 VAL A 65 7.234 -2.262 3.162 1.00 0.00 C ATOM 0 H VAL A 65 9.891 -2.849 1.291 1.00 0.00 H new ATOM 0 HA VAL A 65 7.467 -1.168 0.672 1.00 0.00 H new ATOM 0 HB VAL A 65 9.172 -1.309 3.204 1.00 0.00 H new ATOM 0 HG11 VAL A 65 7.507 0.277 4.133 1.00 0.00 H new ATOM 0 HG12 VAL A 65 8.346 0.976 2.728 1.00 0.00 H new ATOM 0 HG13 VAL A 65 6.690 0.346 2.554 1.00 0.00 H new ATOM 0 HG21 VAL A 65 7.084 -2.183 4.239 1.00 0.00 H new ATOM 0 HG22 VAL A 65 6.280 -2.130 2.652 1.00 0.00 H new ATOM 0 HG23 VAL A 65 7.639 -3.245 2.924 1.00 0.00 H new ATOM 1018 N GLN A 66 8.929 0.756 0.024 1.00 0.00 N ATOM 1019 CA GLN A 66 9.814 1.860 -0.448 1.00 0.00 C ATOM 1020 C GLN A 66 8.976 3.125 -0.569 1.00 0.00 C ATOM 1021 O GLN A 66 7.777 3.070 -0.765 1.00 0.00 O ATOM 1022 CB GLN A 66 10.403 1.505 -1.815 1.00 0.00 C ATOM 1023 CG GLN A 66 11.386 2.595 -2.258 1.00 0.00 C ATOM 1024 CD GLN A 66 12.127 2.131 -3.515 1.00 0.00 C ATOM 1025 OE1 GLN A 66 12.719 1.071 -3.524 1.00 0.00 O ATOM 1026 NE2 GLN A 66 12.113 2.879 -4.583 1.00 0.00 N ATOM 0 H GLN A 66 7.952 0.843 -0.254 1.00 0.00 H new ATOM 0 HA GLN A 66 10.630 2.012 0.258 1.00 0.00 H new ATOM 0 HB2 GLN A 66 10.913 0.543 -1.762 1.00 0.00 H new ATOM 0 HB3 GLN A 66 9.604 1.403 -2.550 1.00 0.00 H new ATOM 0 HG2 GLN A 66 10.851 3.523 -2.460 1.00 0.00 H new ATOM 0 HG3 GLN A 66 12.098 2.805 -1.459 1.00 0.00 H new ATOM 0 HE21 GLN A 66 11.616 3.769 -4.575 1.00 0.00 H new ATOM 0 HE22 GLN A 66 12.599 2.574 -5.426 1.00 0.00 H new ATOM 1035 N GLU A 67 9.590 4.267 -0.449 1.00 0.00 N ATOM 1036 CA GLU A 67 8.832 5.549 -0.550 1.00 0.00 C ATOM 1037 C GLU A 67 9.750 6.627 -1.113 1.00 0.00 C ATOM 1038 O GLU A 67 10.954 6.558 -0.974 1.00 0.00 O ATOM 1039 CB GLU A 67 8.324 5.970 0.840 1.00 0.00 C ATOM 1040 CG GLU A 67 9.477 6.034 1.853 1.00 0.00 C ATOM 1041 CD GLU A 67 9.954 4.621 2.212 1.00 0.00 C ATOM 1042 OE1 GLU A 67 9.127 3.723 2.226 1.00 0.00 O ATOM 1043 OE2 GLU A 67 11.136 4.463 2.469 1.00 0.00 O ATOM 0 H GLU A 67 10.591 4.371 -0.284 1.00 0.00 H new ATOM 0 HA GLU A 67 7.975 5.415 -1.211 1.00 0.00 H new ATOM 0 HB2 GLU A 67 7.839 6.944 0.774 1.00 0.00 H new ATOM 0 HB3 GLU A 67 7.571 5.262 1.185 1.00 0.00 H new ATOM 0 HG2 GLU A 67 10.304 6.609 1.436 1.00 0.00 H new ATOM 0 HG3 GLU A 67 9.150 6.554 2.753 1.00 0.00 H new ATOM 1050 N SER A 68 9.192 7.627 -1.746 1.00 0.00 N ATOM 1051 CA SER A 68 10.031 8.724 -2.323 1.00 0.00 C ATOM 1052 C SER A 68 9.295 10.055 -2.176 1.00 0.00 C ATOM 1053 O SER A 68 8.127 10.174 -2.502 1.00 0.00 O ATOM 1054 CB SER A 68 10.286 8.446 -3.805 1.00 0.00 C ATOM 1055 OG SER A 68 11.056 9.506 -4.354 1.00 0.00 O ATOM 0 H SER A 68 8.188 7.733 -1.889 1.00 0.00 H new ATOM 0 HA SER A 68 10.982 8.771 -1.793 1.00 0.00 H new ATOM 0 HB2 SER A 68 10.812 7.499 -3.924 1.00 0.00 H new ATOM 0 HB3 SER A 68 9.340 8.354 -4.338 1.00 0.00 H new ATOM 0 HG SER A 68 10.481 10.077 -4.905 1.00 0.00 H new ATOM 1061 N ARG A 69 9.972 11.061 -1.698 1.00 0.00 N ATOM 1062 CA ARG A 69 9.320 12.388 -1.548 1.00 0.00 C ATOM 1063 C ARG A 69 8.952 12.911 -2.942 1.00 0.00 C ATOM 1064 O ARG A 69 9.690 13.677 -3.529 1.00 0.00 O ATOM 1065 CB ARG A 69 10.301 13.366 -0.892 1.00 0.00 C ATOM 1066 CG ARG A 69 10.468 13.074 0.614 1.00 0.00 C ATOM 1067 CD ARG A 69 11.582 14.008 1.161 1.00 0.00 C ATOM 1068 NE ARG A 69 11.671 14.136 2.675 1.00 0.00 N ATOM 1069 CZ ARG A 69 10.635 14.027 3.487 1.00 0.00 C ATOM 1070 NH1 ARG A 69 9.702 13.134 3.323 1.00 0.00 N ATOM 1071 NH2 ARG A 69 10.664 14.686 4.617 1.00 0.00 N ATOM 0 H ARG A 69 10.948 11.020 -1.405 1.00 0.00 H new ATOM 0 HA ARG A 69 8.428 12.296 -0.929 1.00 0.00 H new ATOM 0 HB2 ARG A 69 11.270 13.298 -1.387 1.00 0.00 H new ATOM 0 HB3 ARG A 69 9.945 14.387 -1.028 1.00 0.00 H new ATOM 0 HG2 ARG A 69 9.531 13.248 1.143 1.00 0.00 H new ATOM 0 HG3 ARG A 69 10.734 12.029 0.773 1.00 0.00 H new ATOM 0 HD2 ARG A 69 12.542 13.649 0.791 1.00 0.00 H new ATOM 0 HD3 ARG A 69 11.431 15.003 0.742 1.00 0.00 H new ATOM 0 HE ARG A 69 12.586 14.317 3.088 1.00 0.00 H new ATOM 0 HH11 ARG A 69 9.753 12.481 2.541 1.00 0.00 H new ATOM 0 HH12 ARG A 69 8.920 13.088 3.976 1.00 0.00 H new ATOM 0 HH21 ARG A 69 11.472 15.264 4.850 1.00 0.00 H new ATOM 0 HH22 ARG A 69 9.879 14.622 5.265 1.00 0.00 H new ATOM 1085 N ASN A 70 7.821 12.507 -3.475 1.00 0.00 N ATOM 1086 CA ASN A 70 7.403 12.981 -4.839 1.00 0.00 C ATOM 1087 C ASN A 70 6.404 14.135 -4.697 1.00 0.00 C ATOM 1088 O ASN A 70 5.568 14.147 -3.814 1.00 0.00 O ATOM 1089 CB ASN A 70 6.739 11.826 -5.602 1.00 0.00 C ATOM 1090 CG ASN A 70 7.787 10.764 -5.952 1.00 0.00 C ATOM 1091 OD1 ASN A 70 8.968 11.044 -5.972 1.00 0.00 O ATOM 1092 ND2 ASN A 70 7.400 9.550 -6.228 1.00 0.00 N ATOM 0 H ASN A 70 7.167 11.868 -3.024 1.00 0.00 H new ATOM 0 HA ASN A 70 8.281 13.324 -5.387 1.00 0.00 H new ATOM 0 HB2 ASN A 70 5.949 11.384 -4.995 1.00 0.00 H new ATOM 0 HB3 ASN A 70 6.270 12.201 -6.512 1.00 0.00 H new ATOM 0 HD21 ASN A 70 8.090 8.835 -6.461 1.00 0.00 H new ATOM 0 HD22 ASN A 70 6.408 9.315 -6.211 1.00 0.00 H new ATOM 1099 N GLY A 71 6.487 15.102 -5.567 1.00 0.00 N ATOM 1100 CA GLY A 71 5.545 16.253 -5.498 1.00 0.00 C ATOM 1101 C GLY A 71 5.651 16.925 -4.127 1.00 0.00 C ATOM 1102 O GLY A 71 6.717 17.031 -3.557 1.00 0.00 O ATOM 0 H GLY A 71 7.168 15.145 -6.325 1.00 0.00 H new ATOM 0 HA2 GLY A 71 5.775 16.971 -6.285 1.00 0.00 H new ATOM 0 HA3 GLY A 71 4.524 15.911 -5.668 1.00 0.00 H new ATOM 1106 N SER A 72 4.540 17.376 -3.598 1.00 0.00 N ATOM 1107 CA SER A 72 4.533 18.049 -2.256 1.00 0.00 C ATOM 1108 C SER A 72 4.055 17.060 -1.188 1.00 0.00 C ATOM 1109 O SER A 72 3.785 17.440 -0.067 1.00 0.00 O ATOM 1110 CB SER A 72 3.570 19.239 -2.299 1.00 0.00 C ATOM 1111 OG SER A 72 3.313 19.683 -0.973 1.00 0.00 O ATOM 0 H SER A 72 3.625 17.307 -4.043 1.00 0.00 H new ATOM 0 HA SER A 72 5.540 18.390 -2.014 1.00 0.00 H new ATOM 0 HB2 SER A 72 4.000 20.048 -2.889 1.00 0.00 H new ATOM 0 HB3 SER A 72 2.638 18.950 -2.785 1.00 0.00 H new ATOM 0 HG SER A 72 3.855 19.163 -0.343 1.00 0.00 H new ATOM 1117 N LYS A 73 3.924 15.795 -1.533 1.00 0.00 N ATOM 1118 CA LYS A 73 3.438 14.772 -0.543 1.00 0.00 C ATOM 1119 C LYS A 73 4.258 13.484 -0.676 1.00 0.00 C ATOM 1120 O LYS A 73 4.569 13.040 -1.763 1.00 0.00 O ATOM 1121 CB LYS A 73 1.961 14.470 -0.833 1.00 0.00 C ATOM 1122 CG LYS A 73 1.363 13.630 0.304 1.00 0.00 C ATOM 1123 CD LYS A 73 -0.059 13.176 -0.064 1.00 0.00 C ATOM 1124 CE LYS A 73 -1.020 14.376 -0.128 1.00 0.00 C ATOM 1125 NZ LYS A 73 -2.425 13.878 -0.084 1.00 0.00 N ATOM 0 H LYS A 73 4.134 15.427 -2.461 1.00 0.00 H new ATOM 0 HA LYS A 73 3.551 15.159 0.470 1.00 0.00 H new ATOM 0 HB2 LYS A 73 1.405 15.402 -0.939 1.00 0.00 H new ATOM 0 HB3 LYS A 73 1.870 13.935 -1.778 1.00 0.00 H new ATOM 0 HG2 LYS A 73 1.993 12.761 0.494 1.00 0.00 H new ATOM 0 HG3 LYS A 73 1.340 14.214 1.224 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -0.044 12.665 -1.027 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -0.417 12.457 0.673 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -0.834 15.052 0.707 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -0.851 14.945 -1.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -3.081 14.684 -0.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -2.596 13.249 -0.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -2.580 13.353 0.800 1.00 0.00 H new ATOM 1139 N LEU A 74 4.601 12.876 0.430 1.00 0.00 N ATOM 1140 CA LEU A 74 5.389 11.612 0.364 1.00 0.00 C ATOM 1141 C LEU A 74 4.518 10.531 -0.271 1.00 0.00 C ATOM 1142 O LEU A 74 3.398 10.306 0.142 1.00 0.00 O ATOM 1143 CB LEU A 74 5.809 11.185 1.785 1.00 0.00 C ATOM 1144 CG LEU A 74 6.588 9.853 1.774 1.00 0.00 C ATOM 1145 CD1 LEU A 74 7.843 9.955 0.879 1.00 0.00 C ATOM 1146 CD2 LEU A 74 7.009 9.529 3.217 1.00 0.00 C ATOM 0 H LEU A 74 4.371 13.198 1.370 1.00 0.00 H new ATOM 0 HA LEU A 74 6.288 11.761 -0.234 1.00 0.00 H new ATOM 0 HB2 LEU A 74 6.427 11.964 2.231 1.00 0.00 H new ATOM 0 HB3 LEU A 74 4.923 11.083 2.411 1.00 0.00 H new ATOM 0 HG LEU A 74 5.951 9.065 1.372 1.00 0.00 H new ATOM 0 HD11 LEU A 74 8.375 9.004 0.888 1.00 0.00 H new ATOM 0 HD12 LEU A 74 7.544 10.194 -0.142 1.00 0.00 H new ATOM 0 HD13 LEU A 74 8.497 10.740 1.258 1.00 0.00 H new ATOM 0 HD21 LEU A 74 7.562 8.590 3.233 1.00 0.00 H new ATOM 0 HD22 LEU A 74 7.642 10.329 3.600 1.00 0.00 H new ATOM 0 HD23 LEU A 74 6.121 9.438 3.843 1.00 0.00 H new ATOM 1158 N HIS A 75 5.033 9.858 -1.275 1.00 0.00 N ATOM 1159 CA HIS A 75 4.257 8.773 -1.964 1.00 0.00 C ATOM 1160 C HIS A 75 4.866 7.428 -1.584 1.00 0.00 C ATOM 1161 O HIS A 75 5.919 7.048 -2.064 1.00 0.00 O ATOM 1162 CB HIS A 75 4.346 8.977 -3.482 1.00 0.00 C ATOM 1163 CG HIS A 75 3.522 10.176 -3.879 1.00 0.00 C ATOM 1164 ND1 HIS A 75 3.924 11.473 -3.606 1.00 0.00 N ATOM 1165 CD2 HIS A 75 2.316 10.284 -4.524 1.00 0.00 C ATOM 1166 CE1 HIS A 75 2.975 12.299 -4.080 1.00 0.00 C ATOM 1167 NE2 HIS A 75 1.971 11.626 -4.650 1.00 0.00 N ATOM 0 H HIS A 75 5.968 10.016 -1.651 1.00 0.00 H new ATOM 0 HA HIS A 75 3.210 8.802 -1.662 1.00 0.00 H new ATOM 0 HB2 HIS A 75 5.385 9.122 -3.780 1.00 0.00 H new ATOM 0 HB3 HIS A 75 3.987 8.088 -4.001 1.00 0.00 H new ATOM 0 HD1 HIS A 75 4.783 11.751 -3.132 1.00 0.00 H new ATOM 0 HD2 HIS A 75 1.724 9.454 -4.880 1.00 0.00 H new ATOM 0 HE1 HIS A 75 3.019 13.376 -4.009 1.00 0.00 H new ATOM 1175 N SER A 76 4.206 6.705 -0.719 1.00 0.00 N ATOM 1176 CA SER A 76 4.720 5.373 -0.287 1.00 0.00 C ATOM 1177 C SER A 76 4.261 4.315 -1.292 1.00 0.00 C ATOM 1178 O SER A 76 3.218 4.443 -1.900 1.00 0.00 O ATOM 1179 CB SER A 76 4.163 5.056 1.104 1.00 0.00 C ATOM 1180 OG SER A 76 4.849 5.842 2.070 1.00 0.00 O ATOM 0 H SER A 76 3.324 6.983 -0.289 1.00 0.00 H new ATOM 0 HA SER A 76 5.809 5.379 -0.246 1.00 0.00 H new ATOM 0 HB2 SER A 76 3.094 5.267 1.138 1.00 0.00 H new ATOM 0 HB3 SER A 76 4.286 3.996 1.326 1.00 0.00 H new ATOM 0 HG SER A 76 4.496 5.645 2.963 1.00 0.00 H new ATOM 1186 N GLU A 77 5.028 3.268 -1.467 1.00 0.00 N ATOM 1187 CA GLU A 77 4.639 2.188 -2.428 1.00 0.00 C ATOM 1188 C GLU A 77 5.092 0.841 -1.870 1.00 0.00 C ATOM 1189 O GLU A 77 6.081 0.752 -1.171 1.00 0.00 O ATOM 1190 CB GLU A 77 5.321 2.407 -3.789 1.00 0.00 C ATOM 1191 CG GLU A 77 4.871 3.747 -4.412 1.00 0.00 C ATOM 1192 CD GLU A 77 5.666 4.917 -3.814 1.00 0.00 C ATOM 1193 OE1 GLU A 77 6.445 4.681 -2.905 1.00 0.00 O ATOM 1194 OE2 GLU A 77 5.487 6.027 -4.286 1.00 0.00 O ATOM 0 H GLU A 77 5.912 3.113 -0.983 1.00 0.00 H new ATOM 0 HA GLU A 77 3.557 2.208 -2.560 1.00 0.00 H new ATOM 0 HB2 GLU A 77 6.404 2.403 -3.664 1.00 0.00 H new ATOM 0 HB3 GLU A 77 5.075 1.586 -4.462 1.00 0.00 H new ATOM 0 HG2 GLU A 77 5.014 3.718 -5.492 1.00 0.00 H new ATOM 0 HG3 GLU A 77 3.806 3.896 -4.235 1.00 0.00 H new ATOM 1201 N ILE A 78 4.369 -0.208 -2.178 1.00 0.00 N ATOM 1202 CA ILE A 78 4.730 -1.577 -1.683 1.00 0.00 C ATOM 1203 C ILE A 78 4.614 -2.582 -2.832 1.00 0.00 C ATOM 1204 O ILE A 78 3.834 -2.402 -3.746 1.00 0.00 O ATOM 1205 CB ILE A 78 3.777 -1.959 -0.541 1.00 0.00 C ATOM 1206 CG1 ILE A 78 2.314 -1.886 -1.016 1.00 0.00 C ATOM 1207 CG2 ILE A 78 3.981 -0.988 0.623 1.00 0.00 C ATOM 1208 CD1 ILE A 78 1.390 -2.421 0.081 1.00 0.00 C ATOM 0 H ILE A 78 3.532 -0.175 -2.760 1.00 0.00 H new ATOM 0 HA ILE A 78 5.756 -1.585 -1.314 1.00 0.00 H new ATOM 0 HB ILE A 78 3.992 -2.979 -0.222 1.00 0.00 H new ATOM 0 HG12 ILE A 78 2.050 -0.856 -1.257 1.00 0.00 H new ATOM 0 HG13 ILE A 78 2.188 -2.469 -1.928 1.00 0.00 H new ATOM 0 HG21 ILE A 78 3.308 -1.252 1.439 1.00 0.00 H new ATOM 0 HG22 ILE A 78 5.013 -1.047 0.970 1.00 0.00 H new ATOM 0 HG23 ILE A 78 3.768 0.028 0.291 1.00 0.00 H new ATOM 0 HD11 ILE A 78 0.355 -2.368 -0.257 1.00 0.00 H new ATOM 0 HD12 ILE A 78 1.648 -3.457 0.301 1.00 0.00 H new ATOM 0 HD13 ILE A 78 1.508 -1.819 0.982 1.00 0.00 H new ATOM 1220 N ARG A 79 5.377 -3.647 -2.782 1.00 0.00 N ATOM 1221 CA ARG A 79 5.317 -4.696 -3.856 1.00 0.00 C ATOM 1222 C ARG A 79 5.444 -6.066 -3.202 1.00 0.00 C ATOM 1223 O ARG A 79 5.984 -6.201 -2.122 1.00 0.00 O ATOM 1224 CB ARG A 79 6.464 -4.522 -4.852 1.00 0.00 C ATOM 1225 CG ARG A 79 6.361 -3.165 -5.553 1.00 0.00 C ATOM 1226 CD ARG A 79 7.510 -3.014 -6.569 1.00 0.00 C ATOM 1227 NE ARG A 79 7.194 -3.765 -7.820 1.00 0.00 N ATOM 1228 CZ ARG A 79 8.133 -3.988 -8.706 1.00 0.00 C ATOM 1229 NH1 ARG A 79 9.378 -3.690 -8.435 1.00 0.00 N ATOM 1230 NH2 ARG A 79 7.832 -4.521 -9.860 1.00 0.00 N ATOM 0 H ARG A 79 6.046 -3.839 -2.037 1.00 0.00 H new ATOM 0 HA ARG A 79 4.371 -4.601 -4.390 1.00 0.00 H new ATOM 0 HB2 ARG A 79 7.419 -4.599 -4.333 1.00 0.00 H new ATOM 0 HB3 ARG A 79 6.437 -5.323 -5.591 1.00 0.00 H new ATOM 0 HG2 ARG A 79 5.400 -3.080 -6.061 1.00 0.00 H new ATOM 0 HG3 ARG A 79 6.405 -2.361 -4.818 1.00 0.00 H new ATOM 0 HD2 ARG A 79 7.666 -1.960 -6.799 1.00 0.00 H new ATOM 0 HD3 ARG A 79 8.439 -3.387 -6.137 1.00 0.00 H new ATOM 0 HE ARG A 79 6.246 -4.105 -7.985 1.00 0.00 H new ATOM 0 HH11 ARG A 79 9.620 -3.283 -7.532 1.00 0.00 H new ATOM 0 HH12 ARG A 79 10.107 -3.865 -9.127 1.00 0.00 H new ATOM 0 HH21 ARG A 79 6.865 -4.764 -10.073 1.00 0.00 H new ATOM 0 HH22 ARG A 79 8.564 -4.694 -10.549 1.00 0.00 H new ATOM 1244 N LEU A 80 4.949 -7.087 -3.844 1.00 0.00 N ATOM 1245 CA LEU A 80 5.040 -8.458 -3.253 1.00 0.00 C ATOM 1246 C LEU A 80 6.437 -9.033 -3.542 1.00 0.00 C ATOM 1247 O LEU A 80 6.671 -9.625 -4.578 1.00 0.00 O ATOM 1248 CB LEU A 80 3.931 -9.336 -3.884 1.00 0.00 C ATOM 1249 CG LEU A 80 3.485 -10.457 -2.918 1.00 0.00 C ATOM 1250 CD1 LEU A 80 4.706 -11.295 -2.495 1.00 0.00 C ATOM 1251 CD2 LEU A 80 2.775 -9.861 -1.665 1.00 0.00 C ATOM 0 H LEU A 80 4.485 -7.035 -4.751 1.00 0.00 H new ATOM 0 HA LEU A 80 4.897 -8.432 -2.173 1.00 0.00 H new ATOM 0 HB2 LEU A 80 3.074 -8.714 -4.142 1.00 0.00 H new ATOM 0 HB3 LEU A 80 4.297 -9.776 -4.812 1.00 0.00 H new ATOM 0 HG LEU A 80 2.772 -11.099 -3.435 1.00 0.00 H new ATOM 0 HD11 LEU A 80 4.387 -12.084 -1.814 1.00 0.00 H new ATOM 0 HD12 LEU A 80 5.165 -11.741 -3.378 1.00 0.00 H new ATOM 0 HD13 LEU A 80 5.431 -10.654 -1.994 1.00 0.00 H new ATOM 0 HD21 LEU A 80 2.471 -10.669 -1.000 1.00 0.00 H new ATOM 0 HD22 LEU A 80 3.462 -9.198 -1.139 1.00 0.00 H new ATOM 0 HD23 LEU A 80 1.896 -9.298 -1.978 1.00 0.00 H new ATOM 1263 N ARG A 81 7.354 -8.873 -2.611 1.00 0.00 N ATOM 1264 CA ARG A 81 8.752 -9.408 -2.769 1.00 0.00 C ATOM 1265 C ARG A 81 9.232 -9.279 -4.228 1.00 0.00 C ATOM 1266 O ARG A 81 9.649 -10.238 -4.847 1.00 0.00 O ATOM 1267 CB ARG A 81 8.770 -10.878 -2.321 1.00 0.00 C ATOM 1268 CG ARG A 81 10.217 -11.373 -2.131 1.00 0.00 C ATOM 1269 CD ARG A 81 10.220 -12.814 -1.585 1.00 0.00 C ATOM 1270 NE ARG A 81 10.001 -12.792 -0.105 1.00 0.00 N ATOM 1271 CZ ARG A 81 9.598 -13.870 0.524 1.00 0.00 C ATOM 1272 NH1 ARG A 81 9.308 -14.954 -0.148 1.00 0.00 N ATOM 1273 NH2 ARG A 81 9.476 -13.858 1.824 1.00 0.00 N ATOM 0 H ARG A 81 7.189 -8.385 -1.731 1.00 0.00 H new ATOM 0 HA ARG A 81 9.434 -8.825 -2.150 1.00 0.00 H new ATOM 0 HB2 ARG A 81 8.218 -10.985 -1.387 1.00 0.00 H new ATOM 0 HB3 ARG A 81 8.264 -11.496 -3.063 1.00 0.00 H new ATOM 0 HG2 ARG A 81 10.749 -11.335 -3.081 1.00 0.00 H new ATOM 0 HG3 ARG A 81 10.747 -10.715 -1.443 1.00 0.00 H new ATOM 0 HD2 ARG A 81 9.438 -13.399 -2.070 1.00 0.00 H new ATOM 0 HD3 ARG A 81 11.169 -13.299 -1.815 1.00 0.00 H new ATOM 0 HE ARG A 81 10.166 -11.932 0.419 1.00 0.00 H new ATOM 0 HH11 ARG A 81 9.395 -14.963 -1.164 1.00 0.00 H new ATOM 0 HH12 ARG A 81 8.995 -15.791 0.344 1.00 0.00 H new ATOM 0 HH21 ARG A 81 9.694 -13.011 2.349 1.00 0.00 H new ATOM 0 HH22 ARG A 81 9.163 -14.696 2.315 1.00 0.00 H new