USER MOD reduce.3.24.130724 H: found=0, std=0, add=652, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 652 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 83 SER OG : rot 90:sc= -1.92 USER MOD Set 1.2: A 86 MET CE :methyl -171:sc= -0.804 (180deg=-1.02) USER MOD Set 2.1: A 48 GLN : amide:sc= -2.45! C(o=-4.7!,f=-11!) USER MOD Set 2.2: A 49 ASN : amide:sc= -2.29! C(o=-4.7!,f=-8.6!) USER MOD Single : A 7 SER OG : rot -18:sc= 0.394 USER MOD Single : A 8 TYR OH : rot -145:sc= -0.942! USER MOD Single : A 13 THR OG1 : rot -67:sc= 0.232 USER MOD Single : A 14 MET CE :methyl 147:sc= -1.16 (180deg=-3.57!) USER MOD Single : A 18 GLN : amide:sc= -0.252 K(o=-0.25,f=-1.8!) USER MOD Single : A 19 SER OG : rot -110:sc= -3.83! USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot -29:sc= -1.2! USER MOD Single : A 27 SER OG : rot 159:sc= 1.07 USER MOD Single : A 30 CYS SG : rot 180:sc= -1.27 USER MOD Single : A 34 SER OG : rot 96:sc= 0.114 USER MOD Single : A 35 ASN : amide:sc= -0.786 K(o=-0.79,f=-2.3!) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 96:sc= 0.155 USER MOD Single : A 53 HIS :FLIP no HE2:sc= -3.43! C(o=-5.1!,f=-3.4!) USER MOD Single : A 54 ASN :FLIP amide:sc= -2.04 F(o=-6.7!,f=-2) USER MOD Single : A 56 SER OG : rot 180:sc= -0.325 USER MOD Single : A 58 ASN : amide:sc= -2.3! C(o=-2.3!,f=-3!) USER MOD Single : A 60 CYS SG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ -163:sc= 0.0396 (180deg=-0.214) USER MOD Single : A 70 ASN :FLIP amide:sc= -3.97! C(o=-5.2!,f=-4!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= -6.06! C(o=-6.1!,f=-9!) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= -0.222 K(o=-0.22,f=-2.2!) USER MOD ----------------------------------------------------------------- ATOM 88 N SER A 7 1.775 11.451 -8.543 1.00 0.00 N ATOM 89 CA SER A 7 2.571 12.626 -8.856 1.00 0.00 C ATOM 90 C SER A 7 3.274 13.133 -7.595 1.00 0.00 C ATOM 91 O SER A 7 2.676 13.846 -6.791 1.00 0.00 O ATOM 92 CB SER A 7 1.706 13.732 -9.462 1.00 0.00 C ATOM 93 OG SER A 7 0.402 13.764 -8.890 1.00 0.00 O ATOM 0 HA SER A 7 3.322 12.344 -9.594 1.00 0.00 H new ATOM 0 HB2 SER A 7 2.192 14.696 -9.311 1.00 0.00 H new ATOM 0 HB3 SER A 7 1.626 13.581 -10.538 1.00 0.00 H new ATOM 0 HG SER A 7 0.222 12.913 -8.438 1.00 0.00 H new ATOM 99 N TYR A 8 4.534 12.744 -7.462 1.00 0.00 N ATOM 100 CA TYR A 8 5.325 13.150 -6.312 1.00 0.00 C ATOM 101 C TYR A 8 5.149 14.643 -6.026 1.00 0.00 C ATOM 102 O TYR A 8 4.988 15.043 -4.874 1.00 0.00 O ATOM 103 CB TYR A 8 6.783 12.883 -6.688 1.00 0.00 C ATOM 104 CG TYR A 8 7.199 11.416 -6.566 1.00 0.00 C ATOM 105 CD1 TYR A 8 6.243 10.422 -6.618 1.00 0.00 C ATOM 106 CD2 TYR A 8 8.529 11.087 -6.404 1.00 0.00 C ATOM 107 CE1 TYR A 8 6.634 9.040 -6.503 1.00 0.00 C ATOM 108 CE2 TYR A 8 8.920 9.706 -6.289 1.00 0.00 C ATOM 109 CZ TYR A 8 7.954 8.751 -6.344 1.00 0.00 C ATOM 110 OH TYR A 8 8.323 7.446 -6.235 1.00 0.00 O ATOM 0 H TYR A 8 5.026 12.152 -8.131 1.00 0.00 H new ATOM 0 HA TYR A 8 5.017 12.603 -5.421 1.00 0.00 H new ATOM 0 HB2 TYR A 8 6.949 13.213 -7.714 1.00 0.00 H new ATOM 0 HB3 TYR A 8 7.428 13.487 -6.050 1.00 0.00 H new ATOM 0 HD1 TYR A 8 5.202 10.680 -6.745 1.00 0.00 H new ATOM 0 HD2 TYR A 8 9.277 11.865 -6.363 1.00 0.00 H new ATOM 0 HE1 TYR A 8 5.897 8.252 -6.542 1.00 0.00 H new ATOM 0 HE2 TYR A 8 9.958 9.435 -6.162 1.00 0.00 H new ATOM 0 HH TYR A 8 9.080 7.371 -5.617 1.00 0.00 H new ATOM 120 N ILE A 9 5.186 15.426 -7.094 1.00 0.00 N ATOM 121 CA ILE A 9 5.034 16.866 -6.972 1.00 0.00 C ATOM 122 C ILE A 9 3.861 17.173 -6.038 1.00 0.00 C ATOM 123 O ILE A 9 3.947 18.071 -5.202 1.00 0.00 O ATOM 124 CB ILE A 9 4.904 17.510 -8.354 1.00 0.00 C ATOM 125 CG1 ILE A 9 3.625 17.050 -9.055 1.00 0.00 C ATOM 126 CG2 ILE A 9 6.150 17.245 -9.201 1.00 0.00 C ATOM 127 CD1 ILE A 9 3.212 18.038 -10.148 1.00 0.00 C ATOM 0 H ILE A 9 5.319 15.090 -8.048 1.00 0.00 H new ATOM 0 HA ILE A 9 5.924 17.306 -6.523 1.00 0.00 H new ATOM 0 HB ILE A 9 4.828 18.589 -8.223 1.00 0.00 H new ATOM 0 HG12 ILE A 9 3.780 16.063 -9.492 1.00 0.00 H new ATOM 0 HG13 ILE A 9 2.821 16.953 -8.325 1.00 0.00 H new ATOM 0 HG21 ILE A 9 6.032 17.713 -10.178 1.00 0.00 H new ATOM 0 HG22 ILE A 9 7.025 17.662 -8.702 1.00 0.00 H new ATOM 0 HG23 ILE A 9 6.282 16.170 -9.327 1.00 0.00 H new ATOM 0 HD11 ILE A 9 2.300 17.687 -10.630 1.00 0.00 H new ATOM 0 HD12 ILE A 9 3.034 19.018 -9.705 1.00 0.00 H new ATOM 0 HD13 ILE A 9 4.008 18.114 -10.889 1.00 0.00 H new ATOM 139 N ALA A 10 2.793 16.409 -6.211 1.00 0.00 N ATOM 140 CA ALA A 10 1.604 16.588 -5.394 1.00 0.00 C ATOM 141 C ALA A 10 1.948 16.299 -3.932 1.00 0.00 C ATOM 142 O ALA A 10 1.742 17.146 -3.063 1.00 0.00 O ATOM 143 CB ALA A 10 0.484 15.687 -5.918 1.00 0.00 C ATOM 0 H ALA A 10 2.726 15.664 -6.905 1.00 0.00 H new ATOM 0 HA ALA A 10 1.249 17.617 -5.453 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -0.408 15.821 -5.305 1.00 0.00 H new ATOM 0 HB2 ALA A 10 0.258 15.951 -6.951 1.00 0.00 H new ATOM 0 HB3 ALA A 10 0.803 14.646 -5.871 1.00 0.00 H new ATOM 149 N LEU A 11 2.466 15.101 -3.704 1.00 0.00 N ATOM 150 CA LEU A 11 2.840 14.691 -2.361 1.00 0.00 C ATOM 151 C LEU A 11 3.825 15.706 -1.778 1.00 0.00 C ATOM 152 O LEU A 11 3.919 15.857 -0.561 1.00 0.00 O ATOM 153 CB LEU A 11 3.369 13.255 -2.368 1.00 0.00 C ATOM 154 CG LEU A 11 2.429 12.197 -2.949 1.00 0.00 C ATOM 155 CD1 LEU A 11 3.150 10.859 -3.123 1.00 0.00 C ATOM 156 CD2 LEU A 11 1.164 12.060 -2.098 1.00 0.00 C ATOM 0 H LEU A 11 2.636 14.401 -4.426 1.00 0.00 H new ATOM 0 HA LEU A 11 1.967 14.682 -1.708 1.00 0.00 H new ATOM 0 HB2 LEU A 11 4.301 13.235 -2.934 1.00 0.00 H new ATOM 0 HB3 LEU A 11 3.612 12.973 -1.343 1.00 0.00 H new ATOM 0 HG LEU A 11 2.116 12.526 -3.940 1.00 0.00 H new ATOM 0 HD11 LEU A 11 2.459 10.125 -3.537 1.00 0.00 H new ATOM 0 HD12 LEU A 11 3.994 10.986 -3.801 1.00 0.00 H new ATOM 0 HD13 LEU A 11 3.511 10.512 -2.155 1.00 0.00 H new ATOM 0 HD21 LEU A 11 0.513 11.302 -2.533 1.00 0.00 H new ATOM 0 HD22 LEU A 11 1.437 11.766 -1.085 1.00 0.00 H new ATOM 0 HD23 LEU A 11 0.640 13.015 -2.069 1.00 0.00 H new ATOM 168 N ILE A 12 4.536 16.375 -2.674 1.00 0.00 N ATOM 169 CA ILE A 12 5.510 17.372 -2.264 1.00 0.00 C ATOM 170 C ILE A 12 4.779 18.632 -1.798 1.00 0.00 C ATOM 171 O ILE A 12 5.041 19.139 -0.708 1.00 0.00 O ATOM 172 CB ILE A 12 6.521 17.626 -3.384 1.00 0.00 C ATOM 173 CG1 ILE A 12 7.794 16.804 -3.170 1.00 0.00 C ATOM 174 CG2 ILE A 12 6.819 19.120 -3.525 1.00 0.00 C ATOM 175 CD1 ILE A 12 7.730 15.483 -3.939 1.00 0.00 C ATOM 0 H ILE A 12 4.457 16.246 -3.683 1.00 0.00 H new ATOM 0 HA ILE A 12 6.092 17.009 -1.417 1.00 0.00 H new ATOM 0 HB ILE A 12 6.080 17.296 -4.325 1.00 0.00 H new ATOM 0 HG12 ILE A 12 8.661 17.378 -3.498 1.00 0.00 H new ATOM 0 HG13 ILE A 12 7.927 16.604 -2.107 1.00 0.00 H new ATOM 0 HG21 ILE A 12 7.540 19.273 -4.328 1.00 0.00 H new ATOM 0 HG22 ILE A 12 5.898 19.654 -3.758 1.00 0.00 H new ATOM 0 HG23 ILE A 12 7.231 19.499 -2.590 1.00 0.00 H new ATOM 0 HD11 ILE A 12 8.647 14.919 -3.770 1.00 0.00 H new ATOM 0 HD12 ILE A 12 6.876 14.901 -3.592 1.00 0.00 H new ATOM 0 HD13 ILE A 12 7.621 15.687 -5.004 1.00 0.00 H new ATOM 187 N THR A 13 3.877 19.102 -2.646 1.00 0.00 N ATOM 188 CA THR A 13 3.106 20.294 -2.335 1.00 0.00 C ATOM 189 C THR A 13 2.513 20.193 -0.928 1.00 0.00 C ATOM 190 O THR A 13 2.477 21.179 -0.194 1.00 0.00 O ATOM 191 CB THR A 13 2.050 20.473 -3.428 1.00 0.00 C ATOM 192 OG1 THR A 13 1.181 19.356 -3.258 1.00 0.00 O ATOM 193 CG2 THR A 13 2.625 20.286 -4.834 1.00 0.00 C ATOM 0 H THR A 13 3.662 18.679 -3.549 1.00 0.00 H new ATOM 0 HA THR A 13 3.738 21.182 -2.325 1.00 0.00 H new ATOM 0 HB THR A 13 1.607 21.466 -3.345 1.00 0.00 H new ATOM 0 HG1 THR A 13 1.663 18.531 -3.475 1.00 0.00 H new ATOM 0 HG21 THR A 13 1.834 20.424 -5.572 1.00 0.00 H new ATOM 0 HG22 THR A 13 3.413 21.019 -5.005 1.00 0.00 H new ATOM 0 HG23 THR A 13 3.038 19.282 -4.928 1.00 0.00 H new ATOM 201 N MET A 14 2.061 18.992 -0.596 1.00 0.00 N ATOM 202 CA MET A 14 1.472 18.750 0.710 1.00 0.00 C ATOM 203 C MET A 14 2.554 18.606 1.782 1.00 0.00 C ATOM 204 O MET A 14 2.321 18.918 2.949 1.00 0.00 O ATOM 205 CB MET A 14 0.629 17.474 0.661 1.00 0.00 C ATOM 206 CG MET A 14 1.507 16.246 0.413 1.00 0.00 C ATOM 207 SD MET A 14 0.578 14.756 0.734 1.00 0.00 S ATOM 208 CE MET A 14 1.202 14.344 2.354 1.00 0.00 C ATOM 0 H MET A 14 2.091 18.177 -1.208 1.00 0.00 H new ATOM 0 HA MET A 14 0.843 19.602 0.968 1.00 0.00 H new ATOM 0 HB2 MET A 14 0.088 17.355 1.600 1.00 0.00 H new ATOM 0 HB3 MET A 14 -0.118 17.557 -0.129 1.00 0.00 H new ATOM 0 HG2 MET A 14 1.865 16.247 -0.617 1.00 0.00 H new ATOM 0 HG3 MET A 14 2.386 16.282 1.056 1.00 0.00 H new ATOM 0 HE1 MET A 14 0.413 13.869 2.938 1.00 0.00 H new ATOM 0 HE2 MET A 14 2.044 13.659 2.256 1.00 0.00 H new ATOM 0 HE3 MET A 14 1.530 15.252 2.859 1.00 0.00 H new ATOM 218 N ALA A 15 3.713 18.134 1.348 1.00 0.00 N ATOM 219 CA ALA A 15 4.832 17.946 2.256 1.00 0.00 C ATOM 220 C ALA A 15 5.432 19.308 2.609 1.00 0.00 C ATOM 221 O ALA A 15 5.980 19.486 3.696 1.00 0.00 O ATOM 222 CB ALA A 15 5.855 17.006 1.617 1.00 0.00 C ATOM 0 H ALA A 15 3.902 17.876 0.379 1.00 0.00 H new ATOM 0 HA ALA A 15 4.499 17.483 3.185 1.00 0.00 H new ATOM 0 HB1 ALA A 15 6.694 16.865 2.298 1.00 0.00 H new ATOM 0 HB2 ALA A 15 5.387 16.043 1.414 1.00 0.00 H new ATOM 0 HB3 ALA A 15 6.214 17.439 0.683 1.00 0.00 H new ATOM 228 N ILE A 16 5.307 20.235 1.671 1.00 0.00 N ATOM 229 CA ILE A 16 5.831 21.576 1.869 1.00 0.00 C ATOM 230 C ILE A 16 4.823 22.398 2.675 1.00 0.00 C ATOM 231 O ILE A 16 5.208 23.260 3.463 1.00 0.00 O ATOM 232 CB ILE A 16 6.207 22.208 0.528 1.00 0.00 C ATOM 233 CG1 ILE A 16 7.277 23.287 0.711 1.00 0.00 C ATOM 234 CG2 ILE A 16 4.969 22.745 -0.192 1.00 0.00 C ATOM 235 CD1 ILE A 16 8.657 22.765 0.307 1.00 0.00 C ATOM 0 H ILE A 16 4.850 20.084 0.771 1.00 0.00 H new ATOM 0 HA ILE A 16 6.753 21.543 2.449 1.00 0.00 H new ATOM 0 HB ILE A 16 6.637 21.433 -0.106 1.00 0.00 H new ATOM 0 HG12 ILE A 16 7.024 24.160 0.110 1.00 0.00 H new ATOM 0 HG13 ILE A 16 7.297 23.611 1.751 1.00 0.00 H new ATOM 0 HG21 ILE A 16 5.265 23.189 -1.143 1.00 0.00 H new ATOM 0 HG22 ILE A 16 4.271 21.928 -0.375 1.00 0.00 H new ATOM 0 HG23 ILE A 16 4.487 23.502 0.427 1.00 0.00 H new ATOM 0 HD11 ILE A 16 9.399 23.551 0.447 1.00 0.00 H new ATOM 0 HD12 ILE A 16 8.917 21.907 0.927 1.00 0.00 H new ATOM 0 HD13 ILE A 16 8.640 22.464 -0.741 1.00 0.00 H new ATOM 247 N LEU A 17 3.551 22.102 2.450 1.00 0.00 N ATOM 248 CA LEU A 17 2.485 22.803 3.145 1.00 0.00 C ATOM 249 C LEU A 17 2.515 22.426 4.627 1.00 0.00 C ATOM 250 O LEU A 17 2.035 23.179 5.473 1.00 0.00 O ATOM 251 CB LEU A 17 1.139 22.536 2.469 1.00 0.00 C ATOM 252 CG LEU A 17 0.562 23.688 1.643 1.00 0.00 C ATOM 253 CD1 LEU A 17 1.306 23.835 0.315 1.00 0.00 C ATOM 254 CD2 LEU A 17 -0.945 23.517 1.441 1.00 0.00 C ATOM 0 H LEU A 17 3.235 21.386 1.796 1.00 0.00 H new ATOM 0 HA LEU A 17 2.636 23.881 3.087 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.247 21.668 1.819 1.00 0.00 H new ATOM 0 HB3 LEU A 17 0.415 22.269 3.239 1.00 0.00 H new ATOM 0 HG LEU A 17 0.708 24.614 2.198 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.877 24.660 -0.253 1.00 0.00 H new ATOM 0 HD12 LEU A 17 2.360 24.037 0.509 1.00 0.00 H new ATOM 0 HD13 LEU A 17 1.213 22.913 -0.258 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.330 24.349 0.851 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.138 22.581 0.917 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -1.442 23.499 2.411 1.00 0.00 H new ATOM 266 N GLN A 18 3.082 21.259 4.897 1.00 0.00 N ATOM 267 CA GLN A 18 3.181 20.773 6.263 1.00 0.00 C ATOM 268 C GLN A 18 4.132 21.656 7.073 1.00 0.00 C ATOM 269 O GLN A 18 4.044 21.707 8.299 1.00 0.00 O ATOM 270 CB GLN A 18 3.630 19.311 6.293 1.00 0.00 C ATOM 271 CG GLN A 18 5.146 19.199 6.126 1.00 0.00 C ATOM 272 CD GLN A 18 5.827 18.917 7.467 1.00 0.00 C ATOM 273 OE1 GLN A 18 5.245 19.061 8.530 1.00 0.00 O ATOM 274 NE2 GLN A 18 7.087 18.508 7.359 1.00 0.00 N ATOM 0 H GLN A 18 3.478 20.636 4.193 1.00 0.00 H new ATOM 0 HA GLN A 18 2.192 20.824 6.719 1.00 0.00 H new ATOM 0 HB2 GLN A 18 3.330 18.854 7.236 1.00 0.00 H new ATOM 0 HB3 GLN A 18 3.131 18.757 5.498 1.00 0.00 H new ATOM 0 HG2 GLN A 18 5.380 18.401 5.421 1.00 0.00 H new ATOM 0 HG3 GLN A 18 5.538 20.124 5.703 1.00 0.00 H new ATOM 0 HE21 GLN A 18 7.514 18.409 6.438 1.00 0.00 H new ATOM 0 HE22 GLN A 18 7.627 18.293 8.197 1.00 0.00 H new ATOM 283 N SER A 19 5.020 22.328 6.356 1.00 0.00 N ATOM 284 CA SER A 19 5.986 23.206 6.993 1.00 0.00 C ATOM 285 C SER A 19 5.790 24.643 6.505 1.00 0.00 C ATOM 286 O SER A 19 6.595 25.154 5.728 1.00 0.00 O ATOM 287 CB SER A 19 7.418 22.743 6.716 1.00 0.00 C ATOM 288 OG SER A 19 7.461 21.683 5.764 1.00 0.00 O ATOM 0 H SER A 19 5.091 22.282 5.339 1.00 0.00 H new ATOM 0 HA SER A 19 5.822 23.169 8.070 1.00 0.00 H new ATOM 0 HB2 SER A 19 8.007 23.584 6.349 1.00 0.00 H new ATOM 0 HB3 SER A 19 7.879 22.413 7.647 1.00 0.00 H new ATOM 0 HG SER A 19 7.724 20.852 6.212 1.00 0.00 H new ATOM 294 N PRO A 20 4.686 25.270 6.994 1.00 0.00 N ATOM 295 CA PRO A 20 4.374 26.638 6.616 1.00 0.00 C ATOM 296 C PRO A 20 5.296 27.628 7.331 1.00 0.00 C ATOM 297 O PRO A 20 5.231 28.831 7.083 1.00 0.00 O ATOM 298 CB PRO A 20 2.909 26.821 6.980 1.00 0.00 C ATOM 299 CG PRO A 20 2.583 25.713 7.967 1.00 0.00 C ATOM 300 CD PRO A 20 3.711 24.695 7.916 1.00 0.00 C ATOM 0 HA PRO A 20 4.534 26.829 5.555 1.00 0.00 H new ATOM 0 HB2 PRO A 20 2.736 27.802 7.423 1.00 0.00 H new ATOM 0 HB3 PRO A 20 2.276 26.755 6.095 1.00 0.00 H new ATOM 0 HG2 PRO A 20 2.479 26.117 8.974 1.00 0.00 H new ATOM 0 HG3 PRO A 20 1.633 25.243 7.713 1.00 0.00 H new ATOM 0 HD2 PRO A 20 4.145 24.535 8.903 1.00 0.00 H new ATOM 0 HD3 PRO A 20 3.355 23.727 7.564 1.00 0.00 H new ATOM 308 N GLN A 21 6.132 27.085 8.203 1.00 0.00 N ATOM 309 CA GLN A 21 7.066 27.906 8.955 1.00 0.00 C ATOM 310 C GLN A 21 8.239 28.324 8.067 1.00 0.00 C ATOM 311 O GLN A 21 9.135 29.040 8.513 1.00 0.00 O ATOM 312 CB GLN A 21 7.557 27.173 10.205 1.00 0.00 C ATOM 313 CG GLN A 21 6.666 27.483 11.409 1.00 0.00 C ATOM 314 CD GLN A 21 5.357 26.694 11.340 1.00 0.00 C ATOM 315 OE1 GLN A 21 5.283 25.532 11.703 1.00 0.00 O ATOM 316 NE2 GLN A 21 4.332 27.389 10.854 1.00 0.00 N ATOM 0 H GLN A 21 6.182 26.087 8.406 1.00 0.00 H new ATOM 0 HA GLN A 21 6.546 28.806 9.283 1.00 0.00 H new ATOM 0 HB2 GLN A 21 7.565 26.099 10.021 1.00 0.00 H new ATOM 0 HB3 GLN A 21 8.584 27.467 10.423 1.00 0.00 H new ATOM 0 HG2 GLN A 21 7.195 27.237 12.330 1.00 0.00 H new ATOM 0 HG3 GLN A 21 6.450 28.551 11.441 1.00 0.00 H new ATOM 0 HE21 GLN A 21 4.463 28.359 10.568 1.00 0.00 H new ATOM 0 HE22 GLN A 21 3.415 26.952 10.767 1.00 0.00 H new ATOM 325 N LYS A 22 8.197 27.859 6.827 1.00 0.00 N ATOM 326 CA LYS A 22 9.245 28.176 5.873 1.00 0.00 C ATOM 327 C LYS A 22 10.521 27.422 6.254 1.00 0.00 C ATOM 328 O LYS A 22 11.522 28.034 6.621 1.00 0.00 O ATOM 329 CB LYS A 22 9.435 29.690 5.768 1.00 0.00 C ATOM 330 CG LYS A 22 10.436 30.043 4.666 1.00 0.00 C ATOM 331 CD LYS A 22 9.818 31.006 3.650 1.00 0.00 C ATOM 332 CE LYS A 22 10.122 32.459 4.018 1.00 0.00 C ATOM 333 NZ LYS A 22 11.301 32.947 3.268 1.00 0.00 N ATOM 0 H LYS A 22 7.453 27.265 6.461 1.00 0.00 H new ATOM 0 HA LYS A 22 8.963 27.843 4.874 1.00 0.00 H new ATOM 0 HB2 LYS A 22 8.477 30.167 5.560 1.00 0.00 H new ATOM 0 HB3 LYS A 22 9.786 30.083 6.722 1.00 0.00 H new ATOM 0 HG2 LYS A 22 11.324 30.496 5.108 1.00 0.00 H new ATOM 0 HG3 LYS A 22 10.760 29.134 4.160 1.00 0.00 H new ATOM 0 HD2 LYS A 22 10.207 30.790 2.655 1.00 0.00 H new ATOM 0 HD3 LYS A 22 8.739 30.855 3.610 1.00 0.00 H new ATOM 0 HE2 LYS A 22 9.258 33.085 3.796 1.00 0.00 H new ATOM 0 HE3 LYS A 22 10.307 32.538 5.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 11.494 33.935 3.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 12.127 32.360 3.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 11.111 32.890 2.247 1.00 0.00 H new ATOM 347 N LYS A 23 10.442 26.103 6.155 1.00 0.00 N ATOM 348 CA LYS A 23 11.578 25.258 6.485 1.00 0.00 C ATOM 349 C LYS A 23 11.262 23.812 6.098 1.00 0.00 C ATOM 350 O LYS A 23 10.230 23.272 6.493 1.00 0.00 O ATOM 351 CB LYS A 23 11.965 25.432 7.955 1.00 0.00 C ATOM 352 CG LYS A 23 10.826 24.993 8.877 1.00 0.00 C ATOM 353 CD LYS A 23 11.350 24.658 10.275 1.00 0.00 C ATOM 354 CE LYS A 23 10.277 24.907 11.337 1.00 0.00 C ATOM 355 NZ LYS A 23 10.899 25.307 12.618 1.00 0.00 N ATOM 0 H LYS A 23 9.609 25.599 5.851 1.00 0.00 H new ATOM 0 HA LYS A 23 12.455 25.557 5.911 1.00 0.00 H new ATOM 0 HB2 LYS A 23 12.859 24.847 8.171 1.00 0.00 H new ATOM 0 HB3 LYS A 23 12.213 26.476 8.149 1.00 0.00 H new ATOM 0 HG2 LYS A 23 10.082 25.786 8.944 1.00 0.00 H new ATOM 0 HG3 LYS A 23 10.326 24.122 8.454 1.00 0.00 H new ATOM 0 HD2 LYS A 23 11.665 23.615 10.309 1.00 0.00 H new ATOM 0 HD3 LYS A 23 12.230 25.264 10.492 1.00 0.00 H new ATOM 0 HE2 LYS A 23 9.595 25.687 10.998 1.00 0.00 H new ATOM 0 HE3 LYS A 23 9.683 24.005 11.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 10.157 25.472 13.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 11.531 24.550 12.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 11.447 26.180 12.480 1.00 0.00 H new ATOM 369 N LEU A 24 12.169 23.227 5.330 1.00 0.00 N ATOM 370 CA LEU A 24 12.000 21.854 4.886 1.00 0.00 C ATOM 371 C LEU A 24 13.312 21.092 5.088 1.00 0.00 C ATOM 372 O LEU A 24 14.329 21.684 5.443 1.00 0.00 O ATOM 373 CB LEU A 24 11.483 21.816 3.447 1.00 0.00 C ATOM 374 CG LEU A 24 9.965 21.915 3.277 1.00 0.00 C ATOM 375 CD1 LEU A 24 9.252 20.819 4.071 1.00 0.00 C ATOM 376 CD2 LEU A 24 9.462 23.311 3.648 1.00 0.00 C ATOM 0 H LEU A 24 13.023 23.679 5.004 1.00 0.00 H new ATOM 0 HA LEU A 24 11.242 21.350 5.486 1.00 0.00 H new ATOM 0 HB2 LEU A 24 11.945 22.634 2.894 1.00 0.00 H new ATOM 0 HB3 LEU A 24 11.821 20.888 2.985 1.00 0.00 H new ATOM 0 HG LEU A 24 9.728 21.756 2.225 1.00 0.00 H new ATOM 0 HD11 LEU A 24 8.175 20.912 3.933 1.00 0.00 H new ATOM 0 HD12 LEU A 24 9.580 19.842 3.717 1.00 0.00 H new ATOM 0 HD13 LEU A 24 9.492 20.921 5.129 1.00 0.00 H new ATOM 0 HD21 LEU A 24 8.381 23.354 3.518 1.00 0.00 H new ATOM 0 HD22 LEU A 24 9.712 23.523 4.688 1.00 0.00 H new ATOM 0 HD23 LEU A 24 9.935 24.051 3.003 1.00 0.00 H new ATOM 388 N THR A 25 13.245 19.790 4.852 1.00 0.00 N ATOM 389 CA THR A 25 14.414 18.941 5.004 1.00 0.00 C ATOM 390 C THR A 25 14.264 17.671 4.163 1.00 0.00 C ATOM 391 O THR A 25 13.483 16.785 4.505 1.00 0.00 O ATOM 392 CB THR A 25 14.606 18.662 6.496 1.00 0.00 C ATOM 393 OG1 THR A 25 14.718 19.957 7.080 1.00 0.00 O ATOM 394 CG2 THR A 25 15.950 17.998 6.800 1.00 0.00 C ATOM 0 H THR A 25 12.399 19.302 4.557 1.00 0.00 H new ATOM 0 HA THR A 25 15.312 19.435 4.633 1.00 0.00 H new ATOM 0 HB THR A 25 13.798 18.023 6.852 1.00 0.00 H new ATOM 0 HG1 THR A 25 15.093 20.581 6.424 1.00 0.00 H new ATOM 0 HG21 THR A 25 16.035 17.822 7.872 1.00 0.00 H new ATOM 0 HG22 THR A 25 16.014 17.048 6.270 1.00 0.00 H new ATOM 0 HG23 THR A 25 16.760 18.650 6.474 1.00 0.00 H new ATOM 402 N LEU A 26 15.025 17.625 3.079 1.00 0.00 N ATOM 403 CA LEU A 26 14.987 16.479 2.187 1.00 0.00 C ATOM 404 C LEU A 26 14.958 15.193 3.016 1.00 0.00 C ATOM 405 O LEU A 26 14.163 14.294 2.746 1.00 0.00 O ATOM 406 CB LEU A 26 16.142 16.540 1.186 1.00 0.00 C ATOM 407 CG LEU A 26 17.156 15.397 1.262 1.00 0.00 C ATOM 408 CD1 LEU A 26 16.584 14.115 0.652 1.00 0.00 C ATOM 409 CD2 LEU A 26 18.483 15.797 0.613 1.00 0.00 C ATOM 0 H LEU A 26 15.671 18.363 2.799 1.00 0.00 H new ATOM 0 HA LEU A 26 14.076 16.493 1.588 1.00 0.00 H new ATOM 0 HB2 LEU A 26 15.724 16.562 0.180 1.00 0.00 H new ATOM 0 HB3 LEU A 26 16.673 17.481 1.331 1.00 0.00 H new ATOM 0 HG LEU A 26 17.360 15.191 2.313 1.00 0.00 H new ATOM 0 HD11 LEU A 26 17.325 13.318 0.719 1.00 0.00 H new ATOM 0 HD12 LEU A 26 15.686 13.822 1.196 1.00 0.00 H new ATOM 0 HD13 LEU A 26 16.333 14.290 -0.394 1.00 0.00 H new ATOM 0 HD21 LEU A 26 19.186 14.967 0.681 1.00 0.00 H new ATOM 0 HD22 LEU A 26 18.315 16.046 -0.435 1.00 0.00 H new ATOM 0 HD23 LEU A 26 18.894 16.664 1.130 1.00 0.00 H new ATOM 421 N SER A 27 15.836 15.147 4.008 1.00 0.00 N ATOM 422 CA SER A 27 15.921 13.986 4.877 1.00 0.00 C ATOM 423 C SER A 27 14.568 13.729 5.542 1.00 0.00 C ATOM 424 O SER A 27 14.041 12.619 5.478 1.00 0.00 O ATOM 425 CB SER A 27 17.007 14.173 5.939 1.00 0.00 C ATOM 426 OG SER A 27 17.159 13.015 6.756 1.00 0.00 O ATOM 0 H SER A 27 16.494 15.895 4.229 1.00 0.00 H new ATOM 0 HA SER A 27 16.189 13.122 4.269 1.00 0.00 H new ATOM 0 HB2 SER A 27 17.955 14.400 5.452 1.00 0.00 H new ATOM 0 HB3 SER A 27 16.758 15.029 6.566 1.00 0.00 H new ATOM 0 HG SER A 27 18.042 13.028 7.180 1.00 0.00 H new ATOM 432 N GLY A 28 14.042 14.774 6.165 1.00 0.00 N ATOM 433 CA GLY A 28 12.760 14.675 6.841 1.00 0.00 C ATOM 434 C GLY A 28 11.633 14.403 5.842 1.00 0.00 C ATOM 435 O GLY A 28 10.581 13.884 6.213 1.00 0.00 O ATOM 0 H GLY A 28 14.481 15.693 6.216 1.00 0.00 H new ATOM 0 HA2 GLY A 28 12.796 13.875 7.581 1.00 0.00 H new ATOM 0 HA3 GLY A 28 12.557 15.600 7.381 1.00 0.00 H new ATOM 439 N ILE A 29 11.892 14.765 4.594 1.00 0.00 N ATOM 440 CA ILE A 29 10.913 14.566 3.538 1.00 0.00 C ATOM 441 C ILE A 29 10.925 13.098 3.107 1.00 0.00 C ATOM 442 O ILE A 29 9.871 12.483 2.956 1.00 0.00 O ATOM 443 CB ILE A 29 11.157 15.547 2.390 1.00 0.00 C ATOM 444 CG1 ILE A 29 10.364 16.839 2.595 1.00 0.00 C ATOM 445 CG2 ILE A 29 10.852 14.896 1.039 1.00 0.00 C ATOM 446 CD1 ILE A 29 11.246 18.067 2.356 1.00 0.00 C ATOM 0 H ILE A 29 12.766 15.195 4.290 1.00 0.00 H new ATOM 0 HA ILE A 29 9.909 14.782 3.903 1.00 0.00 H new ATOM 0 HB ILE A 29 12.214 15.815 2.388 1.00 0.00 H new ATOM 0 HG12 ILE A 29 9.513 16.860 1.914 1.00 0.00 H new ATOM 0 HG13 ILE A 29 9.962 16.867 3.608 1.00 0.00 H new ATOM 0 HG21 ILE A 29 11.033 15.614 0.240 1.00 0.00 H new ATOM 0 HG22 ILE A 29 11.496 14.028 0.900 1.00 0.00 H new ATOM 0 HG23 ILE A 29 9.809 14.581 1.014 1.00 0.00 H new ATOM 0 HD11 ILE A 29 10.658 18.972 2.508 1.00 0.00 H new ATOM 0 HD12 ILE A 29 12.082 18.056 3.055 1.00 0.00 H new ATOM 0 HD13 ILE A 29 11.626 18.049 1.335 1.00 0.00 H new ATOM 458 N CYS A 30 12.130 12.580 2.920 1.00 0.00 N ATOM 459 CA CYS A 30 12.294 11.196 2.509 1.00 0.00 C ATOM 460 C CYS A 30 11.683 10.299 3.588 1.00 0.00 C ATOM 461 O CYS A 30 11.138 9.239 3.283 1.00 0.00 O ATOM 462 CB CYS A 30 13.762 10.853 2.246 1.00 0.00 C ATOM 463 SG CYS A 30 14.248 11.421 0.576 1.00 0.00 S ATOM 0 H CYS A 30 13.002 13.094 3.046 1.00 0.00 H new ATOM 0 HA CYS A 30 11.776 11.031 1.564 1.00 0.00 H new ATOM 0 HB2 CYS A 30 14.395 11.325 2.998 1.00 0.00 H new ATOM 0 HB3 CYS A 30 13.914 9.777 2.332 1.00 0.00 H new ATOM 0 HG CYS A 30 15.496 11.127 0.364 1.00 0.00 H new ATOM 469 N GLU A 31 11.795 10.756 4.826 1.00 0.00 N ATOM 470 CA GLU A 31 11.260 10.008 5.951 1.00 0.00 C ATOM 471 C GLU A 31 9.750 10.227 6.064 1.00 0.00 C ATOM 472 O GLU A 31 9.001 9.289 6.332 1.00 0.00 O ATOM 473 CB GLU A 31 11.969 10.393 7.251 1.00 0.00 C ATOM 474 CG GLU A 31 12.532 9.157 7.955 1.00 0.00 C ATOM 475 CD GLU A 31 13.806 8.666 7.264 1.00 0.00 C ATOM 476 OE1 GLU A 31 14.729 9.497 7.119 1.00 0.00 O ATOM 477 OE2 GLU A 31 13.829 7.471 6.897 1.00 0.00 O ATOM 0 H GLU A 31 12.248 11.635 5.075 1.00 0.00 H new ATOM 0 HA GLU A 31 11.441 8.947 5.777 1.00 0.00 H new ATOM 0 HB2 GLU A 31 12.777 11.093 7.036 1.00 0.00 H new ATOM 0 HB3 GLU A 31 11.271 10.906 7.912 1.00 0.00 H new ATOM 0 HG2 GLU A 31 12.747 9.394 8.997 1.00 0.00 H new ATOM 0 HG3 GLU A 31 11.785 8.363 7.956 1.00 0.00 H new ATOM 484 N PHE A 32 9.347 11.472 5.855 1.00 0.00 N ATOM 485 CA PHE A 32 7.940 11.826 5.931 1.00 0.00 C ATOM 486 C PHE A 32 7.134 11.104 4.848 1.00 0.00 C ATOM 487 O PHE A 32 5.981 10.737 5.069 1.00 0.00 O ATOM 488 CB PHE A 32 7.846 13.336 5.699 1.00 0.00 C ATOM 489 CG PHE A 32 6.590 13.771 4.940 1.00 0.00 C ATOM 490 CD1 PHE A 32 6.580 13.762 3.580 1.00 0.00 C ATOM 491 CD2 PHE A 32 5.485 14.167 5.626 1.00 0.00 C ATOM 492 CE1 PHE A 32 5.415 14.166 2.876 1.00 0.00 C ATOM 493 CE2 PHE A 32 4.320 14.572 4.922 1.00 0.00 C ATOM 494 CZ PHE A 32 4.309 14.563 3.562 1.00 0.00 C ATOM 0 H PHE A 32 9.971 12.248 5.633 1.00 0.00 H new ATOM 0 HA PHE A 32 7.535 11.537 6.901 1.00 0.00 H new ATOM 0 HB2 PHE A 32 7.870 13.844 6.663 1.00 0.00 H new ATOM 0 HB3 PHE A 32 8.725 13.664 5.144 1.00 0.00 H new ATOM 0 HD1 PHE A 32 7.458 13.448 3.036 1.00 0.00 H new ATOM 0 HD2 PHE A 32 5.493 14.174 6.706 1.00 0.00 H new ATOM 0 HE1 PHE A 32 5.407 14.158 1.796 1.00 0.00 H new ATOM 0 HE2 PHE A 32 3.442 14.887 5.467 1.00 0.00 H new ATOM 0 HZ PHE A 32 3.423 14.871 3.027 1.00 0.00 H new ATOM 504 N ILE A 33 7.774 10.923 3.702 1.00 0.00 N ATOM 505 CA ILE A 33 7.131 10.251 2.585 1.00 0.00 C ATOM 506 C ILE A 33 7.274 8.737 2.755 1.00 0.00 C ATOM 507 O ILE A 33 6.300 7.999 2.615 1.00 0.00 O ATOM 508 CB ILE A 33 7.680 10.775 1.257 1.00 0.00 C ATOM 509 CG1 ILE A 33 6.888 11.994 0.779 1.00 0.00 C ATOM 510 CG2 ILE A 33 7.718 9.667 0.203 1.00 0.00 C ATOM 511 CD1 ILE A 33 7.808 13.020 0.114 1.00 0.00 C ATOM 0 H ILE A 33 8.730 11.230 3.523 1.00 0.00 H new ATOM 0 HA ILE A 33 6.064 10.471 2.571 1.00 0.00 H new ATOM 0 HB ILE A 33 8.708 11.101 1.418 1.00 0.00 H new ATOM 0 HG12 ILE A 33 6.119 11.679 0.074 1.00 0.00 H new ATOM 0 HG13 ILE A 33 6.376 12.454 1.624 1.00 0.00 H new ATOM 0 HG21 ILE A 33 8.112 10.067 -0.731 1.00 0.00 H new ATOM 0 HG22 ILE A 33 8.359 8.857 0.550 1.00 0.00 H new ATOM 0 HG23 ILE A 33 6.710 9.287 0.038 1.00 0.00 H new ATOM 0 HD11 ILE A 33 7.220 13.876 -0.216 1.00 0.00 H new ATOM 0 HD12 ILE A 33 8.561 13.351 0.829 1.00 0.00 H new ATOM 0 HD13 ILE A 33 8.300 12.564 -0.745 1.00 0.00 H new ATOM 523 N SER A 34 8.495 8.320 3.054 1.00 0.00 N ATOM 524 CA SER A 34 8.777 6.908 3.245 1.00 0.00 C ATOM 525 C SER A 34 7.817 6.317 4.278 1.00 0.00 C ATOM 526 O SER A 34 7.272 5.232 4.076 1.00 0.00 O ATOM 527 CB SER A 34 10.227 6.690 3.683 1.00 0.00 C ATOM 528 OG SER A 34 11.129 6.722 2.579 1.00 0.00 O ATOM 0 H SER A 34 9.300 8.935 3.169 1.00 0.00 H new ATOM 0 HA SER A 34 8.633 6.399 2.292 1.00 0.00 H new ATOM 0 HB2 SER A 34 10.508 7.459 4.403 1.00 0.00 H new ATOM 0 HB3 SER A 34 10.311 5.730 4.192 1.00 0.00 H new ATOM 0 HG SER A 34 11.509 7.621 2.493 1.00 0.00 H new ATOM 534 N ASN A 35 7.638 7.055 5.364 1.00 0.00 N ATOM 535 CA ASN A 35 6.752 6.617 6.429 1.00 0.00 C ATOM 536 C ASN A 35 5.362 6.344 5.851 1.00 0.00 C ATOM 537 O ASN A 35 4.732 5.343 6.188 1.00 0.00 O ATOM 538 CB ASN A 35 6.613 7.694 7.507 1.00 0.00 C ATOM 539 CG ASN A 35 7.847 7.727 8.412 1.00 0.00 C ATOM 540 OD1 ASN A 35 8.590 6.767 8.526 1.00 0.00 O ATOM 541 ND2 ASN A 35 8.021 8.883 9.046 1.00 0.00 N ATOM 0 H ASN A 35 8.092 7.954 5.529 1.00 0.00 H new ATOM 0 HA ASN A 35 7.177 5.716 6.872 1.00 0.00 H new ATOM 0 HB2 ASN A 35 6.476 8.668 7.037 1.00 0.00 H new ATOM 0 HB3 ASN A 35 5.723 7.501 8.106 1.00 0.00 H new ATOM 0 HD21 ASN A 35 8.816 9.006 9.674 1.00 0.00 H new ATOM 0 HD22 ASN A 35 7.360 9.647 8.905 1.00 0.00 H new ATOM 548 N ARG A 36 4.925 7.253 4.991 1.00 0.00 N ATOM 549 CA ARG A 36 3.621 7.122 4.364 1.00 0.00 C ATOM 550 C ARG A 36 3.616 5.941 3.392 1.00 0.00 C ATOM 551 O ARG A 36 2.626 5.217 3.294 1.00 0.00 O ATOM 552 CB ARG A 36 3.244 8.398 3.607 1.00 0.00 C ATOM 553 CG ARG A 36 3.140 9.590 4.560 1.00 0.00 C ATOM 554 CD ARG A 36 1.976 9.411 5.537 1.00 0.00 C ATOM 555 NE ARG A 36 1.903 10.569 6.455 1.00 0.00 N ATOM 556 CZ ARG A 36 1.292 10.545 7.647 1.00 0.00 C ATOM 557 NH1 ARG A 36 0.696 9.422 8.072 1.00 0.00 N ATOM 558 NH2 ARG A 36 1.276 11.643 8.415 1.00 0.00 N ATOM 0 H ARG A 36 5.451 8.082 4.714 1.00 0.00 H new ATOM 0 HA ARG A 36 2.889 6.951 5.153 1.00 0.00 H new ATOM 0 HB2 ARG A 36 3.991 8.605 2.841 1.00 0.00 H new ATOM 0 HB3 ARG A 36 2.293 8.254 3.094 1.00 0.00 H new ATOM 0 HG2 ARG A 36 4.072 9.699 5.115 1.00 0.00 H new ATOM 0 HG3 ARG A 36 3.001 10.507 3.987 1.00 0.00 H new ATOM 0 HD2 ARG A 36 1.040 9.313 4.987 1.00 0.00 H new ATOM 0 HD3 ARG A 36 2.108 8.492 6.108 1.00 0.00 H new ATOM 0 HE ARG A 36 2.346 11.440 6.162 1.00 0.00 H new ATOM 0 HH11 ARG A 36 0.708 8.586 7.488 1.00 0.00 H new ATOM 0 HH12 ARG A 36 0.231 9.404 8.980 1.00 0.00 H new ATOM 0 HH21 ARG A 36 1.729 12.498 8.092 1.00 0.00 H new ATOM 0 HH22 ARG A 36 0.811 11.624 9.322 1.00 0.00 H new ATOM 572 N PHE A 37 4.733 5.781 2.698 1.00 0.00 N ATOM 573 CA PHE A 37 4.870 4.700 1.737 1.00 0.00 C ATOM 574 C PHE A 37 6.008 3.756 2.132 1.00 0.00 C ATOM 575 O PHE A 37 7.180 4.084 1.954 1.00 0.00 O ATOM 576 CB PHE A 37 5.198 5.339 0.387 1.00 0.00 C ATOM 577 CG PHE A 37 4.412 6.619 0.097 1.00 0.00 C ATOM 578 CD1 PHE A 37 3.079 6.674 0.365 1.00 0.00 C ATOM 579 CD2 PHE A 37 5.045 7.702 -0.428 1.00 0.00 C ATOM 580 CE1 PHE A 37 2.349 7.862 0.095 1.00 0.00 C ATOM 581 CE2 PHE A 37 4.315 8.890 -0.698 1.00 0.00 C ATOM 582 CZ PHE A 37 2.982 8.945 -0.430 1.00 0.00 C ATOM 0 H PHE A 37 5.552 6.383 2.782 1.00 0.00 H new ATOM 0 HA PHE A 37 3.949 4.119 1.698 1.00 0.00 H new ATOM 0 HB2 PHE A 37 6.264 5.564 0.352 1.00 0.00 H new ATOM 0 HB3 PHE A 37 4.999 4.616 -0.404 1.00 0.00 H new ATOM 0 HD1 PHE A 37 2.576 5.814 0.783 1.00 0.00 H new ATOM 0 HD2 PHE A 37 6.103 7.659 -0.640 1.00 0.00 H new ATOM 0 HE1 PHE A 37 1.291 7.905 0.307 1.00 0.00 H new ATOM 0 HE2 PHE A 37 4.818 9.750 -1.116 1.00 0.00 H new ATOM 0 HZ PHE A 37 2.427 9.849 -0.634 1.00 0.00 H new ATOM 592 N PRO A 38 5.612 2.573 2.673 1.00 0.00 N ATOM 593 CA PRO A 38 6.586 1.580 3.094 1.00 0.00 C ATOM 594 C PRO A 38 7.195 0.863 1.888 1.00 0.00 C ATOM 595 O PRO A 38 8.382 0.543 1.886 1.00 0.00 O ATOM 596 CB PRO A 38 5.821 0.645 4.017 1.00 0.00 C ATOM 597 CG PRO A 38 4.349 0.873 3.713 1.00 0.00 C ATOM 598 CD PRO A 38 4.233 2.151 2.899 1.00 0.00 C ATOM 0 HA PRO A 38 7.438 2.020 3.612 1.00 0.00 H new ATOM 0 HB2 PRO A 38 6.100 -0.394 3.840 1.00 0.00 H new ATOM 0 HB3 PRO A 38 6.042 0.861 5.062 1.00 0.00 H new ATOM 0 HG2 PRO A 38 3.939 0.029 3.159 1.00 0.00 H new ATOM 0 HG3 PRO A 38 3.777 0.956 4.637 1.00 0.00 H new ATOM 0 HD2 PRO A 38 3.713 1.975 1.957 1.00 0.00 H new ATOM 0 HD3 PRO A 38 3.669 2.913 3.437 1.00 0.00 H new ATOM 606 N TYR A 39 6.354 0.633 0.890 1.00 0.00 N ATOM 607 CA TYR A 39 6.794 -0.040 -0.320 1.00 0.00 C ATOM 608 C TYR A 39 7.787 0.825 -1.098 1.00 0.00 C ATOM 609 O TYR A 39 8.770 0.318 -1.637 1.00 0.00 O ATOM 610 CB TYR A 39 5.539 -0.244 -1.170 1.00 0.00 C ATOM 611 CG TYR A 39 5.808 -0.301 -2.675 1.00 0.00 C ATOM 612 CD1 TYR A 39 6.413 -1.412 -3.226 1.00 0.00 C ATOM 613 CD2 TYR A 39 5.447 0.759 -3.481 1.00 0.00 C ATOM 614 CE1 TYR A 39 6.667 -1.465 -4.643 1.00 0.00 C ATOM 615 CE2 TYR A 39 5.700 0.706 -4.897 1.00 0.00 C ATOM 616 CZ TYR A 39 6.298 -0.403 -5.408 1.00 0.00 C ATOM 617 OH TYR A 39 6.538 -0.454 -6.746 1.00 0.00 O ATOM 0 H TYR A 39 5.370 0.901 0.895 1.00 0.00 H new ATOM 0 HA TYR A 39 7.291 -0.979 -0.077 1.00 0.00 H new ATOM 0 HB2 TYR A 39 5.052 -1.170 -0.863 1.00 0.00 H new ATOM 0 HB3 TYR A 39 4.840 0.567 -0.967 1.00 0.00 H new ATOM 0 HD1 TYR A 39 6.696 -2.242 -2.595 1.00 0.00 H new ATOM 0 HD2 TYR A 39 4.974 1.629 -3.049 1.00 0.00 H new ATOM 0 HE1 TYR A 39 7.140 -2.328 -5.088 1.00 0.00 H new ATOM 0 HE2 TYR A 39 5.421 1.528 -5.539 1.00 0.00 H new ATOM 0 HH TYR A 39 6.221 0.372 -7.167 1.00 0.00 H new ATOM 627 N TYR A 40 7.497 2.118 -1.132 1.00 0.00 N ATOM 628 CA TYR A 40 8.352 3.059 -1.836 1.00 0.00 C ATOM 629 C TYR A 40 9.730 3.145 -1.177 1.00 0.00 C ATOM 630 O TYR A 40 10.752 2.990 -1.845 1.00 0.00 O ATOM 631 CB TYR A 40 7.661 4.419 -1.726 1.00 0.00 C ATOM 632 CG TYR A 40 6.918 4.844 -2.994 1.00 0.00 C ATOM 633 CD1 TYR A 40 7.373 4.433 -4.231 1.00 0.00 C ATOM 634 CD2 TYR A 40 5.794 5.639 -2.902 1.00 0.00 C ATOM 635 CE1 TYR A 40 6.674 4.833 -5.424 1.00 0.00 C ATOM 636 CE2 TYR A 40 5.095 6.039 -4.095 1.00 0.00 C ATOM 637 CZ TYR A 40 5.569 5.616 -5.298 1.00 0.00 C ATOM 638 OH TYR A 40 4.909 5.994 -6.425 1.00 0.00 O ATOM 0 H TYR A 40 6.682 2.536 -0.683 1.00 0.00 H new ATOM 0 HA TYR A 40 8.498 2.747 -2.870 1.00 0.00 H new ATOM 0 HB2 TYR A 40 6.955 4.390 -0.896 1.00 0.00 H new ATOM 0 HB3 TYR A 40 8.407 5.176 -1.484 1.00 0.00 H new ATOM 0 HD1 TYR A 40 8.253 3.811 -4.304 1.00 0.00 H new ATOM 0 HD2 TYR A 40 5.439 5.961 -1.934 1.00 0.00 H new ATOM 0 HE1 TYR A 40 7.019 4.518 -6.398 1.00 0.00 H new ATOM 0 HE2 TYR A 40 4.214 6.661 -4.036 1.00 0.00 H new ATOM 0 HH TYR A 40 4.139 6.550 -6.182 1.00 0.00 H new ATOM 648 N ARG A 41 9.714 3.392 0.124 1.00 0.00 N ATOM 649 CA ARG A 41 10.950 3.501 0.881 1.00 0.00 C ATOM 650 C ARG A 41 11.685 2.159 0.893 1.00 0.00 C ATOM 651 O ARG A 41 12.867 2.097 1.228 1.00 0.00 O ATOM 652 CB ARG A 41 10.678 3.938 2.321 1.00 0.00 C ATOM 653 CG ARG A 41 10.110 2.782 3.147 1.00 0.00 C ATOM 654 CD ARG A 41 11.227 2.012 3.854 1.00 0.00 C ATOM 655 NE ARG A 41 11.459 2.580 5.201 1.00 0.00 N ATOM 656 CZ ARG A 41 10.738 2.261 6.284 1.00 0.00 C ATOM 657 NH1 ARG A 41 9.735 1.378 6.186 1.00 0.00 N ATOM 658 NH2 ARG A 41 11.020 2.826 7.466 1.00 0.00 N ATOM 0 H ARG A 41 8.865 3.520 0.674 1.00 0.00 H new ATOM 0 HA ARG A 41 11.570 4.255 0.396 1.00 0.00 H new ATOM 0 HB2 ARG A 41 11.601 4.296 2.777 1.00 0.00 H new ATOM 0 HB3 ARG A 41 9.976 4.772 2.325 1.00 0.00 H new ATOM 0 HG2 ARG A 41 9.407 3.169 3.885 1.00 0.00 H new ATOM 0 HG3 ARG A 41 9.552 2.107 2.498 1.00 0.00 H new ATOM 0 HD2 ARG A 41 10.959 0.959 3.936 1.00 0.00 H new ATOM 0 HD3 ARG A 41 12.143 2.063 3.266 1.00 0.00 H new ATOM 0 HE ARG A 41 12.215 3.256 5.311 1.00 0.00 H new ATOM 0 HH11 ARG A 41 9.520 0.948 5.286 1.00 0.00 H new ATOM 0 HH12 ARG A 41 9.186 1.136 7.011 1.00 0.00 H new ATOM 0 HH21 ARG A 41 11.783 3.499 7.541 1.00 0.00 H new ATOM 0 HH22 ARG A 41 10.471 2.584 8.291 1.00 0.00 H new ATOM 672 N GLU A 42 10.955 1.117 0.522 1.00 0.00 N ATOM 673 CA GLU A 42 11.522 -0.220 0.486 1.00 0.00 C ATOM 674 C GLU A 42 12.401 -0.390 -0.755 1.00 0.00 C ATOM 675 O GLU A 42 13.540 -0.845 -0.656 1.00 0.00 O ATOM 676 CB GLU A 42 10.423 -1.284 0.530 1.00 0.00 C ATOM 677 CG GLU A 42 11.019 -2.680 0.721 1.00 0.00 C ATOM 678 CD GLU A 42 10.902 -3.506 -0.562 1.00 0.00 C ATOM 679 OE1 GLU A 42 11.180 -2.929 -1.636 1.00 0.00 O ATOM 680 OE2 GLU A 42 10.536 -4.695 -0.440 1.00 0.00 O ATOM 0 H GLU A 42 9.975 1.172 0.244 1.00 0.00 H new ATOM 0 HA GLU A 42 12.145 -0.353 1.370 1.00 0.00 H new ATOM 0 HB2 GLU A 42 9.732 -1.065 1.344 1.00 0.00 H new ATOM 0 HB3 GLU A 42 9.846 -1.254 -0.394 1.00 0.00 H new ATOM 0 HG2 GLU A 42 12.067 -2.596 1.009 1.00 0.00 H new ATOM 0 HG3 GLU A 42 10.505 -3.191 1.535 1.00 0.00 H new ATOM 687 N LYS A 43 11.838 -0.017 -1.895 1.00 0.00 N ATOM 688 CA LYS A 43 12.556 -0.123 -3.153 1.00 0.00 C ATOM 689 C LYS A 43 13.538 1.044 -3.275 1.00 0.00 C ATOM 690 O LYS A 43 14.710 0.844 -3.589 1.00 0.00 O ATOM 691 CB LYS A 43 11.575 -0.226 -4.323 1.00 0.00 C ATOM 692 CG LYS A 43 11.938 -1.394 -5.242 1.00 0.00 C ATOM 693 CD LYS A 43 10.868 -2.486 -5.190 1.00 0.00 C ATOM 694 CE LYS A 43 11.468 -3.820 -4.744 1.00 0.00 C ATOM 695 NZ LYS A 43 11.872 -4.625 -5.918 1.00 0.00 N ATOM 0 H LYS A 43 10.893 0.359 -1.973 1.00 0.00 H new ATOM 0 HA LYS A 43 13.145 -1.040 -3.179 1.00 0.00 H new ATOM 0 HB2 LYS A 43 10.562 -0.359 -3.942 1.00 0.00 H new ATOM 0 HB3 LYS A 43 11.582 0.704 -4.891 1.00 0.00 H new ATOM 0 HG2 LYS A 43 12.047 -1.036 -6.266 1.00 0.00 H new ATOM 0 HG3 LYS A 43 12.901 -1.809 -4.945 1.00 0.00 H new ATOM 0 HD2 LYS A 43 10.076 -2.191 -4.502 1.00 0.00 H new ATOM 0 HD3 LYS A 43 10.411 -2.599 -6.173 1.00 0.00 H new ATOM 0 HE2 LYS A 43 12.332 -3.641 -4.104 1.00 0.00 H new ATOM 0 HE3 LYS A 43 10.740 -4.372 -4.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 12.277 -5.527 -5.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 11.040 -4.811 -6.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 12.583 -4.103 -6.469 1.00 0.00 H new ATOM 709 N PHE A 44 13.023 2.238 -3.020 1.00 0.00 N ATOM 710 CA PHE A 44 13.840 3.438 -3.097 1.00 0.00 C ATOM 711 C PHE A 44 15.037 3.227 -4.027 1.00 0.00 C ATOM 712 O PHE A 44 16.184 3.262 -3.585 1.00 0.00 O ATOM 713 CB PHE A 44 14.351 3.722 -1.684 1.00 0.00 C ATOM 714 CG PHE A 44 13.942 5.092 -1.139 1.00 0.00 C ATOM 715 CD1 PHE A 44 12.643 5.489 -1.201 1.00 0.00 C ATOM 716 CD2 PHE A 44 14.879 5.914 -0.593 1.00 0.00 C ATOM 717 CE1 PHE A 44 12.264 6.761 -0.695 1.00 0.00 C ATOM 718 CE2 PHE A 44 14.500 7.185 -0.087 1.00 0.00 C ATOM 719 CZ PHE A 44 13.200 7.582 -0.149 1.00 0.00 C ATOM 0 H PHE A 44 12.050 2.400 -2.760 1.00 0.00 H new ATOM 0 HA PHE A 44 13.250 4.266 -3.490 1.00 0.00 H new ATOM 0 HB2 PHE A 44 13.979 2.949 -1.012 1.00 0.00 H new ATOM 0 HB3 PHE A 44 15.439 3.651 -1.681 1.00 0.00 H new ATOM 0 HD1 PHE A 44 11.899 4.837 -1.635 1.00 0.00 H new ATOM 0 HD2 PHE A 44 15.911 5.599 -0.545 1.00 0.00 H new ATOM 0 HE1 PHE A 44 11.232 7.076 -0.744 1.00 0.00 H new ATOM 0 HE2 PHE A 44 15.244 7.837 0.347 1.00 0.00 H new ATOM 0 HZ PHE A 44 12.912 8.549 0.235 1.00 0.00 H new ATOM 729 N PRO A 45 14.720 3.007 -5.331 1.00 0.00 N ATOM 730 CA PRO A 45 15.756 2.791 -6.327 1.00 0.00 C ATOM 731 C PRO A 45 16.458 4.103 -6.682 1.00 0.00 C ATOM 732 O PRO A 45 17.508 4.097 -7.322 1.00 0.00 O ATOM 733 CB PRO A 45 15.039 2.161 -7.510 1.00 0.00 C ATOM 734 CG PRO A 45 13.564 2.474 -7.318 1.00 0.00 C ATOM 735 CD PRO A 45 13.372 2.959 -5.891 1.00 0.00 C ATOM 0 HA PRO A 45 16.554 2.140 -5.970 1.00 0.00 H new ATOM 0 HB2 PRO A 45 15.406 2.570 -8.452 1.00 0.00 H new ATOM 0 HB3 PRO A 45 15.209 1.085 -7.542 1.00 0.00 H new ATOM 0 HG2 PRO A 45 13.240 3.236 -8.027 1.00 0.00 H new ATOM 0 HG3 PRO A 45 12.958 1.587 -7.504 1.00 0.00 H new ATOM 0 HD2 PRO A 45 12.898 3.940 -5.867 1.00 0.00 H new ATOM 0 HD3 PRO A 45 12.732 2.282 -5.325 1.00 0.00 H new ATOM 743 N ALA A 46 15.848 5.198 -6.252 1.00 0.00 N ATOM 744 CA ALA A 46 16.401 6.516 -6.516 1.00 0.00 C ATOM 745 C ALA A 46 15.407 7.583 -6.056 1.00 0.00 C ATOM 746 O ALA A 46 15.195 8.579 -6.747 1.00 0.00 O ATOM 747 CB ALA A 46 16.741 6.638 -8.003 1.00 0.00 C ATOM 0 H ALA A 46 14.976 5.200 -5.723 1.00 0.00 H new ATOM 0 HA ALA A 46 17.325 6.664 -5.957 1.00 0.00 H new ATOM 0 HB1 ALA A 46 17.156 7.626 -8.202 1.00 0.00 H new ATOM 0 HB2 ALA A 46 17.473 5.877 -8.273 1.00 0.00 H new ATOM 0 HB3 ALA A 46 15.837 6.498 -8.596 1.00 0.00 H new ATOM 753 N TRP A 47 14.823 7.340 -4.892 1.00 0.00 N ATOM 754 CA TRP A 47 13.855 8.268 -4.332 1.00 0.00 C ATOM 755 C TRP A 47 14.606 9.529 -3.898 1.00 0.00 C ATOM 756 O TRP A 47 13.990 10.517 -3.501 1.00 0.00 O ATOM 757 CB TRP A 47 13.069 7.619 -3.191 1.00 0.00 C ATOM 758 CG TRP A 47 11.653 7.188 -3.577 1.00 0.00 C ATOM 759 CD1 TRP A 47 11.276 6.077 -4.225 1.00 0.00 C ATOM 760 CD2 TRP A 47 10.432 7.911 -3.312 1.00 0.00 C ATOM 761 NE1 TRP A 47 9.907 6.031 -4.396 1.00 0.00 N ATOM 762 CE2 TRP A 47 9.378 7.182 -3.823 1.00 0.00 C ATOM 763 CE3 TRP A 47 10.226 9.140 -2.661 1.00 0.00 C ATOM 764 CZ2 TRP A 47 8.044 7.599 -3.737 1.00 0.00 C ATOM 765 CZ3 TRP A 47 8.887 9.543 -2.584 1.00 0.00 C ATOM 766 CH2 TRP A 47 7.814 8.820 -3.093 1.00 0.00 C ATOM 0 H TRP A 47 15.001 6.514 -4.321 1.00 0.00 H new ATOM 0 HA TRP A 47 13.110 8.545 -5.078 1.00 0.00 H new ATOM 0 HB2 TRP A 47 13.618 6.748 -2.835 1.00 0.00 H new ATOM 0 HB3 TRP A 47 13.010 8.321 -2.359 1.00 0.00 H new ATOM 0 HD1 TRP A 47 11.958 5.314 -4.570 1.00 0.00 H new ATOM 0 HE1 TRP A 47 9.381 5.289 -4.858 1.00 0.00 H new ATOM 0 HE3 TRP A 47 11.036 9.727 -2.253 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 7.236 7.010 -4.146 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 8.673 10.482 -2.095 1.00 0.00 H new ATOM 0 HH2 TRP A 47 6.808 9.199 -2.992 1.00 0.00 H new ATOM 777 N GLN A 48 15.926 9.454 -3.990 1.00 0.00 N ATOM 778 CA GLN A 48 16.767 10.577 -3.612 1.00 0.00 C ATOM 779 C GLN A 48 16.620 11.715 -4.624 1.00 0.00 C ATOM 780 O GLN A 48 16.138 12.795 -4.285 1.00 0.00 O ATOM 781 CB GLN A 48 18.229 10.147 -3.480 1.00 0.00 C ATOM 782 CG GLN A 48 19.131 11.350 -3.199 1.00 0.00 C ATOM 783 CD GLN A 48 20.447 11.242 -3.973 1.00 0.00 C ATOM 784 OE1 GLN A 48 20.480 11.242 -5.193 1.00 0.00 O ATOM 785 NE2 GLN A 48 21.524 11.151 -3.199 1.00 0.00 N ATOM 0 H GLN A 48 16.433 8.633 -4.321 1.00 0.00 H new ATOM 0 HA GLN A 48 16.439 10.939 -2.637 1.00 0.00 H new ATOM 0 HB2 GLN A 48 18.326 9.419 -2.675 1.00 0.00 H new ATOM 0 HB3 GLN A 48 18.551 9.653 -4.397 1.00 0.00 H new ATOM 0 HG2 GLN A 48 18.615 12.269 -3.478 1.00 0.00 H new ATOM 0 HG3 GLN A 48 19.338 11.412 -2.131 1.00 0.00 H new ATOM 0 HE21 GLN A 48 21.424 11.157 -2.184 1.00 0.00 H new ATOM 0 HE22 GLN A 48 22.450 11.075 -3.620 1.00 0.00 H new ATOM 794 N ASN A 49 17.043 11.434 -5.848 1.00 0.00 N ATOM 795 CA ASN A 49 16.964 12.420 -6.912 1.00 0.00 C ATOM 796 C ASN A 49 15.520 12.516 -7.407 1.00 0.00 C ATOM 797 O ASN A 49 15.109 13.546 -7.939 1.00 0.00 O ATOM 798 CB ASN A 49 17.845 12.022 -8.098 1.00 0.00 C ATOM 799 CG ASN A 49 19.307 11.875 -7.671 1.00 0.00 C ATOM 800 OD1 ASN A 49 19.848 12.681 -6.931 1.00 0.00 O ATOM 801 ND2 ASN A 49 19.913 10.805 -8.176 1.00 0.00 N ATOM 0 H ASN A 49 17.442 10.537 -6.126 1.00 0.00 H new ATOM 0 HA ASN A 49 17.306 13.375 -6.513 1.00 0.00 H new ATOM 0 HB2 ASN A 49 17.490 11.082 -8.520 1.00 0.00 H new ATOM 0 HB3 ASN A 49 17.766 12.774 -8.883 1.00 0.00 H new ATOM 0 HD21 ASN A 49 20.890 10.618 -7.950 1.00 0.00 H new ATOM 0 HD22 ASN A 49 19.401 10.171 -8.789 1.00 0.00 H new ATOM 808 N SER A 50 14.789 11.427 -7.215 1.00 0.00 N ATOM 809 CA SER A 50 13.399 11.375 -7.635 1.00 0.00 C ATOM 810 C SER A 50 12.576 12.400 -6.851 1.00 0.00 C ATOM 811 O SER A 50 11.968 13.293 -7.439 1.00 0.00 O ATOM 812 CB SER A 50 12.818 9.972 -7.446 1.00 0.00 C ATOM 813 OG SER A 50 13.030 9.149 -8.589 1.00 0.00 O ATOM 0 H SER A 50 15.134 10.574 -6.774 1.00 0.00 H new ATOM 0 HA SER A 50 13.354 11.618 -8.697 1.00 0.00 H new ATOM 0 HB2 SER A 50 13.274 9.505 -6.573 1.00 0.00 H new ATOM 0 HB3 SER A 50 11.749 10.046 -7.246 1.00 0.00 H new ATOM 0 HG SER A 50 13.831 8.601 -8.454 1.00 0.00 H new ATOM 819 N ILE A 51 12.584 12.237 -5.536 1.00 0.00 N ATOM 820 CA ILE A 51 11.847 13.137 -4.666 1.00 0.00 C ATOM 821 C ILE A 51 12.423 14.548 -4.793 1.00 0.00 C ATOM 822 O ILE A 51 11.702 15.489 -5.122 1.00 0.00 O ATOM 823 CB ILE A 51 11.834 12.604 -3.232 1.00 0.00 C ATOM 824 CG1 ILE A 51 10.606 13.107 -2.471 1.00 0.00 C ATOM 825 CG2 ILE A 51 13.138 12.948 -2.508 1.00 0.00 C ATOM 826 CD1 ILE A 51 9.316 12.587 -3.107 1.00 0.00 C ATOM 0 H ILE A 51 13.089 11.495 -5.052 1.00 0.00 H new ATOM 0 HA ILE A 51 10.802 13.191 -4.971 1.00 0.00 H new ATOM 0 HB ILE A 51 11.764 11.517 -3.272 1.00 0.00 H new ATOM 0 HG12 ILE A 51 10.660 12.783 -1.432 1.00 0.00 H new ATOM 0 HG13 ILE A 51 10.599 14.197 -2.465 1.00 0.00 H new ATOM 0 HG21 ILE A 51 13.103 12.558 -1.491 1.00 0.00 H new ATOM 0 HG22 ILE A 51 13.978 12.501 -3.039 1.00 0.00 H new ATOM 0 HG23 ILE A 51 13.263 14.030 -2.477 1.00 0.00 H new ATOM 0 HD11 ILE A 51 8.458 12.959 -2.547 1.00 0.00 H new ATOM 0 HD12 ILE A 51 9.254 12.933 -4.139 1.00 0.00 H new ATOM 0 HD13 ILE A 51 9.315 11.497 -3.090 1.00 0.00 H new ATOM 838 N ARG A 52 13.716 14.651 -4.526 1.00 0.00 N ATOM 839 CA ARG A 52 14.397 15.933 -4.606 1.00 0.00 C ATOM 840 C ARG A 52 14.058 16.632 -5.924 1.00 0.00 C ATOM 841 O ARG A 52 13.906 17.853 -5.962 1.00 0.00 O ATOM 842 CB ARG A 52 15.914 15.757 -4.506 1.00 0.00 C ATOM 843 CG ARG A 52 16.547 15.657 -5.895 1.00 0.00 C ATOM 844 CD ARG A 52 18.062 15.462 -5.795 1.00 0.00 C ATOM 845 NE ARG A 52 18.401 14.779 -4.526 1.00 0.00 N ATOM 846 CZ ARG A 52 18.783 15.414 -3.410 1.00 0.00 C ATOM 847 NH1 ARG A 52 18.876 16.751 -3.398 1.00 0.00 N ATOM 848 NH2 ARG A 52 19.071 14.713 -2.305 1.00 0.00 N ATOM 0 H ARG A 52 14.311 13.868 -4.254 1.00 0.00 H new ATOM 0 HA ARG A 52 14.057 16.543 -3.769 1.00 0.00 H new ATOM 0 HB2 ARG A 52 16.346 16.599 -3.965 1.00 0.00 H new ATOM 0 HB3 ARG A 52 16.142 14.858 -3.933 1.00 0.00 H new ATOM 0 HG2 ARG A 52 16.105 14.824 -6.441 1.00 0.00 H new ATOM 0 HG3 ARG A 52 16.330 16.561 -6.463 1.00 0.00 H new ATOM 0 HD2 ARG A 52 18.418 14.874 -6.641 1.00 0.00 H new ATOM 0 HD3 ARG A 52 18.565 16.428 -5.844 1.00 0.00 H new ATOM 0 HE ARG A 52 18.340 13.761 -4.500 1.00 0.00 H new ATOM 0 HH11 ARG A 52 18.656 17.285 -4.239 1.00 0.00 H new ATOM 0 HH12 ARG A 52 19.167 17.234 -2.548 1.00 0.00 H new ATOM 0 HH21 ARG A 52 18.999 13.696 -2.313 1.00 0.00 H new ATOM 0 HH22 ARG A 52 19.362 15.197 -1.455 1.00 0.00 H new ATOM 862 N HIS A 53 13.948 15.830 -6.972 1.00 0.00 N ATOM 863 CA HIS A 53 13.629 16.357 -8.288 1.00 0.00 C ATOM 864 C HIS A 53 12.228 16.970 -8.270 1.00 0.00 C ATOM 865 O HIS A 53 12.055 18.143 -8.596 1.00 0.00 O ATOM 866 CB HIS A 53 13.790 15.277 -9.360 1.00 0.00 C ATOM 867 CG HIS A 53 13.150 15.624 -10.683 1.00 0.00 C ATOM 868 ND1 HIS A 53 11.874 15.445 -11.130 1.00 0.00 N flip ATOM 869 CD2 HIS A 53 13.845 16.228 -11.716 1.00 0.00 C flip ATOM 870 CE1 HIS A 53 11.793 15.916 -12.368 1.00 0.00 C flip ATOM 871 NE2 HIS A 53 13.014 16.401 -12.734 1.00 0.00 N flip ATOM 0 H HIS A 53 14.074 14.818 -6.937 1.00 0.00 H new ATOM 0 HA HIS A 53 14.331 17.150 -8.546 1.00 0.00 H new ATOM 0 HB2 HIS A 53 14.853 15.093 -9.519 1.00 0.00 H new ATOM 0 HB3 HIS A 53 13.357 14.347 -8.992 1.00 0.00 H new ATOM 0 HD1 HIS A 53 11.111 15.021 -10.602 1.00 0.00 H new ATOM 0 HD2 HIS A 53 14.887 16.510 -11.696 1.00 0.00 H new ATOM 0 HE1 HIS A 53 10.906 15.915 -12.984 1.00 0.00 H new ATOM 879 N ASN A 54 11.262 16.148 -7.885 1.00 0.00 N ATOM 880 CA ASN A 54 9.881 16.595 -7.820 1.00 0.00 C ATOM 881 C ASN A 54 9.730 17.608 -6.683 1.00 0.00 C ATOM 882 O ASN A 54 8.693 18.257 -6.558 1.00 0.00 O ATOM 883 CB ASN A 54 8.936 15.424 -7.538 1.00 0.00 C ATOM 884 CG ASN A 54 9.037 14.362 -8.635 1.00 0.00 C ATOM 885 OD1 ASN A 54 7.963 14.287 -9.415 1.00 0.00 O flip ATOM 886 ND2 ASN A 54 10.025 13.658 -8.764 1.00 0.00 N flip ATOM 0 H ASN A 54 11.409 15.175 -7.615 1.00 0.00 H new ATOM 0 HA ASN A 54 9.626 17.042 -8.781 1.00 0.00 H new ATOM 0 HB2 ASN A 54 9.180 14.980 -6.573 1.00 0.00 H new ATOM 0 HB3 ASN A 54 7.910 15.787 -7.472 1.00 0.00 H new ATOM 0 HD21 ASN A 54 10.816 13.768 -8.130 1.00 0.00 H new ATOM 0 HD22 ASN A 54 10.060 12.959 -9.506 1.00 0.00 H new ATOM 893 N LEU A 55 10.781 17.712 -5.883 1.00 0.00 N ATOM 894 CA LEU A 55 10.779 18.635 -4.761 1.00 0.00 C ATOM 895 C LEU A 55 11.183 20.027 -5.250 1.00 0.00 C ATOM 896 O LEU A 55 10.453 20.997 -5.048 1.00 0.00 O ATOM 897 CB LEU A 55 11.657 18.103 -3.627 1.00 0.00 C ATOM 898 CG LEU A 55 11.006 18.047 -2.243 1.00 0.00 C ATOM 899 CD1 LEU A 55 12.014 17.604 -1.181 1.00 0.00 C ATOM 900 CD2 LEU A 55 10.353 19.385 -1.891 1.00 0.00 C ATOM 0 H LEU A 55 11.640 17.172 -5.990 1.00 0.00 H new ATOM 0 HA LEU A 55 9.776 18.722 -4.342 1.00 0.00 H new ATOM 0 HB2 LEU A 55 11.988 17.099 -3.891 1.00 0.00 H new ATOM 0 HB3 LEU A 55 12.549 18.726 -3.562 1.00 0.00 H new ATOM 0 HG LEU A 55 10.214 17.298 -2.267 1.00 0.00 H new ATOM 0 HD11 LEU A 55 11.526 17.573 -0.207 1.00 0.00 H new ATOM 0 HD12 LEU A 55 12.392 16.612 -1.430 1.00 0.00 H new ATOM 0 HD13 LEU A 55 12.843 18.311 -1.149 1.00 0.00 H new ATOM 0 HD21 LEU A 55 9.898 19.319 -0.903 1.00 0.00 H new ATOM 0 HD22 LEU A 55 11.109 20.170 -1.890 1.00 0.00 H new ATOM 0 HD23 LEU A 55 9.586 19.621 -2.629 1.00 0.00 H new ATOM 912 N SER A 56 12.345 20.082 -5.885 1.00 0.00 N ATOM 913 CA SER A 56 12.856 21.339 -6.405 1.00 0.00 C ATOM 914 C SER A 56 12.132 21.700 -7.704 1.00 0.00 C ATOM 915 O SER A 56 11.629 22.813 -7.850 1.00 0.00 O ATOM 916 CB SER A 56 14.365 21.265 -6.640 1.00 0.00 C ATOM 917 OG SER A 56 14.680 20.962 -7.997 1.00 0.00 O ATOM 0 H SER A 56 12.947 19.276 -6.051 1.00 0.00 H new ATOM 0 HA SER A 56 12.670 22.117 -5.665 1.00 0.00 H new ATOM 0 HB2 SER A 56 14.822 22.216 -6.365 1.00 0.00 H new ATOM 0 HB3 SER A 56 14.796 20.504 -5.989 1.00 0.00 H new ATOM 0 HG SER A 56 15.653 20.925 -8.107 1.00 0.00 H new ATOM 923 N LEU A 57 12.104 20.738 -8.615 1.00 0.00 N ATOM 924 CA LEU A 57 11.451 20.941 -9.897 1.00 0.00 C ATOM 925 C LEU A 57 9.936 20.988 -9.691 1.00 0.00 C ATOM 926 O LEU A 57 9.232 20.031 -10.008 1.00 0.00 O ATOM 927 CB LEU A 57 11.902 19.879 -10.902 1.00 0.00 C ATOM 928 CG LEU A 57 12.537 20.403 -12.192 1.00 0.00 C ATOM 929 CD1 LEU A 57 13.958 20.908 -11.937 1.00 0.00 C ATOM 930 CD2 LEU A 57 12.493 19.343 -13.294 1.00 0.00 C ATOM 0 H LEU A 57 12.523 19.816 -8.491 1.00 0.00 H new ATOM 0 HA LEU A 57 11.745 21.899 -10.327 1.00 0.00 H new ATOM 0 HB2 LEU A 57 12.618 19.222 -10.409 1.00 0.00 H new ATOM 0 HB3 LEU A 57 11.039 19.268 -11.167 1.00 0.00 H new ATOM 0 HG LEU A 57 11.952 21.254 -12.541 1.00 0.00 H new ATOM 0 HD11 LEU A 57 14.387 21.275 -12.870 1.00 0.00 H new ATOM 0 HD12 LEU A 57 13.931 21.717 -11.207 1.00 0.00 H new ATOM 0 HD13 LEU A 57 14.570 20.092 -11.552 1.00 0.00 H new ATOM 0 HD21 LEU A 57 12.950 19.741 -14.200 1.00 0.00 H new ATOM 0 HD22 LEU A 57 13.040 18.458 -12.970 1.00 0.00 H new ATOM 0 HD23 LEU A 57 11.457 19.074 -13.499 1.00 0.00 H new ATOM 942 N ASN A 58 9.478 22.113 -9.160 1.00 0.00 N ATOM 943 CA ASN A 58 8.059 22.297 -8.908 1.00 0.00 C ATOM 944 C ASN A 58 7.857 23.544 -8.044 1.00 0.00 C ATOM 945 O ASN A 58 7.373 24.566 -8.528 1.00 0.00 O ATOM 946 CB ASN A 58 7.473 21.101 -8.155 1.00 0.00 C ATOM 947 CG ASN A 58 6.127 20.683 -8.751 1.00 0.00 C ATOM 948 OD1 ASN A 58 5.095 20.713 -8.101 1.00 0.00 O ATOM 949 ND2 ASN A 58 6.196 20.294 -10.021 1.00 0.00 N ATOM 0 H ASN A 58 10.064 22.905 -8.898 1.00 0.00 H new ATOM 0 HA ASN A 58 7.556 22.399 -9.870 1.00 0.00 H new ATOM 0 HB2 ASN A 58 8.169 20.263 -8.198 1.00 0.00 H new ATOM 0 HB3 ASN A 58 7.345 21.356 -7.103 1.00 0.00 H new ATOM 0 HD21 ASN A 58 5.352 19.997 -10.510 1.00 0.00 H new ATOM 0 HD22 ASN A 58 7.093 20.293 -10.506 1.00 0.00 H new ATOM 956 N ASP A 59 8.238 23.418 -6.781 1.00 0.00 N ATOM 957 CA ASP A 59 8.104 24.522 -5.846 1.00 0.00 C ATOM 958 C ASP A 59 8.974 25.691 -6.316 1.00 0.00 C ATOM 959 O ASP A 59 8.566 26.848 -6.226 1.00 0.00 O ATOM 960 CB ASP A 59 8.571 24.118 -4.447 1.00 0.00 C ATOM 961 CG ASP A 59 7.533 23.368 -3.610 1.00 0.00 C ATOM 962 OD1 ASP A 59 6.568 24.032 -3.174 1.00 0.00 O ATOM 963 OD2 ASP A 59 7.728 22.147 -3.426 1.00 0.00 O ATOM 0 H ASP A 59 8.639 22.569 -6.384 1.00 0.00 H new ATOM 0 HA ASP A 59 7.052 24.806 -5.807 1.00 0.00 H new ATOM 0 HB2 ASP A 59 9.459 23.493 -4.543 1.00 0.00 H new ATOM 0 HB3 ASP A 59 8.871 25.016 -3.907 1.00 0.00 H new ATOM 968 N CYS A 60 10.155 25.347 -6.807 1.00 0.00 N ATOM 969 CA CYS A 60 11.086 26.353 -7.290 1.00 0.00 C ATOM 970 C CYS A 60 11.536 27.203 -6.100 1.00 0.00 C ATOM 971 O CYS A 60 11.377 28.423 -6.109 1.00 0.00 O ATOM 972 CB CYS A 60 10.469 27.207 -8.401 1.00 0.00 C ATOM 973 SG CYS A 60 11.591 27.258 -9.846 1.00 0.00 S ATOM 0 H CYS A 60 10.489 24.386 -6.881 1.00 0.00 H new ATOM 0 HA CYS A 60 11.953 25.866 -7.735 1.00 0.00 H new ATOM 0 HB2 CYS A 60 9.503 26.795 -8.694 1.00 0.00 H new ATOM 0 HB3 CYS A 60 10.287 28.218 -8.036 1.00 0.00 H new ATOM 0 HG CYS A 60 11.058 27.983 -10.784 1.00 0.00 H new ATOM 979 N PHE A 61 12.088 26.525 -5.105 1.00 0.00 N ATOM 980 CA PHE A 61 12.562 27.203 -3.910 1.00 0.00 C ATOM 981 C PHE A 61 14.081 27.073 -3.773 1.00 0.00 C ATOM 982 O PHE A 61 14.772 26.774 -4.745 1.00 0.00 O ATOM 983 CB PHE A 61 11.894 26.522 -2.715 1.00 0.00 C ATOM 984 CG PHE A 61 11.799 25.000 -2.839 1.00 0.00 C ATOM 985 CD1 PHE A 61 12.871 24.284 -3.273 1.00 0.00 C ATOM 986 CD2 PHE A 61 10.642 24.362 -2.514 1.00 0.00 C ATOM 987 CE1 PHE A 61 12.783 22.872 -3.388 1.00 0.00 C ATOM 988 CE2 PHE A 61 10.554 22.949 -2.629 1.00 0.00 C ATOM 989 CZ PHE A 61 11.626 22.234 -3.064 1.00 0.00 C ATOM 0 H PHE A 61 12.218 25.513 -5.101 1.00 0.00 H new ATOM 0 HA PHE A 61 12.318 28.264 -3.962 1.00 0.00 H new ATOM 0 HB2 PHE A 61 12.451 26.769 -1.811 1.00 0.00 H new ATOM 0 HB3 PHE A 61 10.891 26.930 -2.592 1.00 0.00 H new ATOM 0 HD1 PHE A 61 13.790 24.790 -3.530 1.00 0.00 H new ATOM 0 HD2 PHE A 61 9.791 24.930 -2.169 1.00 0.00 H new ATOM 0 HE1 PHE A 61 13.635 22.304 -3.733 1.00 0.00 H new ATOM 0 HE2 PHE A 61 9.636 22.442 -2.371 1.00 0.00 H new ATOM 0 HZ PHE A 61 11.559 21.160 -3.152 1.00 0.00 H new ATOM 999 N VAL A 62 14.554 27.305 -2.557 1.00 0.00 N ATOM 1000 CA VAL A 62 15.978 27.219 -2.280 1.00 0.00 C ATOM 1001 C VAL A 62 16.230 26.091 -1.277 1.00 0.00 C ATOM 1002 O VAL A 62 15.320 25.681 -0.557 1.00 0.00 O ATOM 1003 CB VAL A 62 16.501 28.574 -1.799 1.00 0.00 C ATOM 1004 CG1 VAL A 62 16.320 29.645 -2.877 1.00 0.00 C ATOM 1005 CG2 VAL A 62 15.824 28.991 -0.492 1.00 0.00 C ATOM 0 H VAL A 62 13.977 27.552 -1.753 1.00 0.00 H new ATOM 0 HA VAL A 62 16.530 26.977 -3.188 1.00 0.00 H new ATOM 0 HB VAL A 62 17.569 28.471 -1.604 1.00 0.00 H new ATOM 0 HG11 VAL A 62 16.700 30.599 -2.510 1.00 0.00 H new ATOM 0 HG12 VAL A 62 16.870 29.356 -3.773 1.00 0.00 H new ATOM 0 HG13 VAL A 62 15.261 29.744 -3.117 1.00 0.00 H new ATOM 0 HG21 VAL A 62 16.214 29.957 -0.172 1.00 0.00 H new ATOM 0 HG22 VAL A 62 14.748 29.068 -0.648 1.00 0.00 H new ATOM 0 HG23 VAL A 62 16.027 28.246 0.277 1.00 0.00 H new ATOM 1015 N LYS A 63 17.469 25.622 -1.261 1.00 0.00 N ATOM 1016 CA LYS A 63 17.852 24.549 -0.359 1.00 0.00 C ATOM 1017 C LYS A 63 19.263 24.813 0.169 1.00 0.00 C ATOM 1018 O LYS A 63 19.978 25.664 -0.357 1.00 0.00 O ATOM 1019 CB LYS A 63 17.695 23.190 -1.044 1.00 0.00 C ATOM 1020 CG LYS A 63 18.597 23.091 -2.276 1.00 0.00 C ATOM 1021 CD LYS A 63 17.800 22.643 -3.503 1.00 0.00 C ATOM 1022 CE LYS A 63 17.263 21.222 -3.320 1.00 0.00 C ATOM 1023 NZ LYS A 63 17.221 20.512 -4.618 1.00 0.00 N ATOM 0 H LYS A 63 18.221 25.966 -1.858 1.00 0.00 H new ATOM 0 HA LYS A 63 17.188 24.522 0.505 1.00 0.00 H new ATOM 0 HB2 LYS A 63 17.943 22.394 -0.342 1.00 0.00 H new ATOM 0 HB3 LYS A 63 16.655 23.044 -1.337 1.00 0.00 H new ATOM 0 HG2 LYS A 63 19.060 24.058 -2.471 1.00 0.00 H new ATOM 0 HG3 LYS A 63 19.405 22.384 -2.084 1.00 0.00 H new ATOM 0 HD2 LYS A 63 16.971 23.330 -3.673 1.00 0.00 H new ATOM 0 HD3 LYS A 63 18.435 22.684 -4.388 1.00 0.00 H new ATOM 0 HE2 LYS A 63 17.895 20.675 -2.620 1.00 0.00 H new ATOM 0 HE3 LYS A 63 16.264 21.258 -2.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 16.603 19.679 -4.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 16.850 21.150 -5.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 18.181 20.207 -4.878 1.00 0.00 H new ATOM 1037 N ILE A 64 19.623 24.067 1.204 1.00 0.00 N ATOM 1038 CA ILE A 64 20.936 24.209 1.809 1.00 0.00 C ATOM 1039 C ILE A 64 21.709 22.898 1.654 1.00 0.00 C ATOM 1040 O ILE A 64 21.251 21.847 2.099 1.00 0.00 O ATOM 1041 CB ILE A 64 20.809 24.680 3.259 1.00 0.00 C ATOM 1042 CG1 ILE A 64 20.526 23.504 4.195 1.00 0.00 C ATOM 1043 CG2 ILE A 64 19.756 25.782 3.388 1.00 0.00 C ATOM 1044 CD1 ILE A 64 21.813 23.004 4.854 1.00 0.00 C ATOM 0 H ILE A 64 19.027 23.362 1.639 1.00 0.00 H new ATOM 0 HA ILE A 64 21.510 24.980 1.296 1.00 0.00 H new ATOM 0 HB ILE A 64 21.763 25.110 3.563 1.00 0.00 H new ATOM 0 HG12 ILE A 64 19.815 23.809 4.963 1.00 0.00 H new ATOM 0 HG13 ILE A 64 20.061 22.693 3.635 1.00 0.00 H new ATOM 0 HG21 ILE A 64 19.686 26.098 4.429 1.00 0.00 H new ATOM 0 HG22 ILE A 64 20.041 26.632 2.769 1.00 0.00 H new ATOM 0 HG23 ILE A 64 18.789 25.402 3.059 1.00 0.00 H new ATOM 0 HD11 ILE A 64 21.583 22.168 5.514 1.00 0.00 H new ATOM 0 HD12 ILE A 64 22.512 22.677 4.085 1.00 0.00 H new ATOM 0 HD13 ILE A 64 22.262 23.811 5.433 1.00 0.00 H new ATOM 1056 N PRO A 65 22.899 23.006 1.004 1.00 0.00 N ATOM 1057 CA PRO A 65 23.740 21.841 0.785 1.00 0.00 C ATOM 1058 C PRO A 65 24.444 21.422 2.077 1.00 0.00 C ATOM 1059 O PRO A 65 24.128 21.928 3.152 1.00 0.00 O ATOM 1060 CB PRO A 65 24.708 22.256 -0.311 1.00 0.00 C ATOM 1061 CG PRO A 65 24.680 23.776 -0.339 1.00 0.00 C ATOM 1062 CD PRO A 65 23.473 24.234 0.463 1.00 0.00 C ATOM 0 HA PRO A 65 23.171 20.962 0.484 1.00 0.00 H new ATOM 0 HB2 PRO A 65 25.713 21.888 -0.104 1.00 0.00 H new ATOM 0 HB3 PRO A 65 24.408 21.842 -1.274 1.00 0.00 H new ATOM 0 HG2 PRO A 65 25.598 24.183 0.086 1.00 0.00 H new ATOM 0 HG3 PRO A 65 24.616 24.138 -1.365 1.00 0.00 H new ATOM 0 HD2 PRO A 65 23.764 24.919 1.259 1.00 0.00 H new ATOM 0 HD3 PRO A 65 22.757 24.762 -0.166 1.00 0.00 H new ATOM 1070 N ARG A 66 25.385 20.502 1.928 1.00 0.00 N ATOM 1071 CA ARG A 66 26.136 20.008 3.070 1.00 0.00 C ATOM 1072 C ARG A 66 26.566 21.172 3.965 1.00 0.00 C ATOM 1073 O ARG A 66 27.492 21.909 3.630 1.00 0.00 O ATOM 1074 CB ARG A 66 27.378 19.235 2.620 1.00 0.00 C ATOM 1075 CG ARG A 66 28.234 18.827 3.820 1.00 0.00 C ATOM 1076 CD ARG A 66 27.591 17.668 4.584 1.00 0.00 C ATOM 1077 NE ARG A 66 27.961 17.738 6.016 1.00 0.00 N ATOM 1078 CZ ARG A 66 29.120 17.288 6.515 1.00 0.00 C ATOM 1079 NH1 ARG A 66 30.029 16.731 5.702 1.00 0.00 N ATOM 1080 NH2 ARG A 66 29.370 17.393 7.827 1.00 0.00 N ATOM 0 H ARG A 66 25.645 20.085 1.034 1.00 0.00 H new ATOM 0 HA ARG A 66 25.486 19.335 3.629 1.00 0.00 H new ATOM 0 HB2 ARG A 66 27.077 18.347 2.065 1.00 0.00 H new ATOM 0 HB3 ARG A 66 27.968 19.851 1.941 1.00 0.00 H new ATOM 0 HG2 ARG A 66 29.228 18.536 3.480 1.00 0.00 H new ATOM 0 HG3 ARG A 66 28.362 19.680 4.487 1.00 0.00 H new ATOM 0 HD2 ARG A 66 26.507 17.709 4.478 1.00 0.00 H new ATOM 0 HD3 ARG A 66 27.917 16.718 4.162 1.00 0.00 H new ATOM 0 HE ARG A 66 27.292 18.155 6.663 1.00 0.00 H new ATOM 0 HH11 ARG A 66 29.838 16.650 4.703 1.00 0.00 H new ATOM 0 HH12 ARG A 66 30.911 16.388 6.082 1.00 0.00 H new ATOM 0 HH21 ARG A 66 28.678 17.815 8.446 1.00 0.00 H new ATOM 0 HH22 ARG A 66 30.252 17.050 8.207 1.00 0.00 H new ATOM 1094 N GLU A 67 25.872 21.302 5.087 1.00 0.00 N ATOM 1095 CA GLU A 67 26.170 22.363 6.033 1.00 0.00 C ATOM 1096 C GLU A 67 27.112 21.852 7.125 1.00 0.00 C ATOM 1097 O GLU A 67 27.293 20.645 7.279 1.00 0.00 O ATOM 1098 CB GLU A 67 24.887 22.934 6.639 1.00 0.00 C ATOM 1099 CG GLU A 67 24.710 24.407 6.261 1.00 0.00 C ATOM 1100 CD GLU A 67 23.758 25.110 7.230 1.00 0.00 C ATOM 1101 OE1 GLU A 67 24.076 25.110 8.439 1.00 0.00 O ATOM 1102 OE2 GLU A 67 22.734 25.633 6.740 1.00 0.00 O ATOM 0 H GLU A 67 25.104 20.689 5.362 1.00 0.00 H new ATOM 0 HA GLU A 67 26.670 23.170 5.498 1.00 0.00 H new ATOM 0 HB2 GLU A 67 24.029 22.360 6.290 1.00 0.00 H new ATOM 0 HB3 GLU A 67 24.917 22.834 7.724 1.00 0.00 H new ATOM 0 HG2 GLU A 67 25.678 24.907 6.269 1.00 0.00 H new ATOM 0 HG3 GLU A 67 24.322 24.482 5.245 1.00 0.00 H new ATOM 1109 N PRO A 68 27.702 22.821 7.875 1.00 0.00 N ATOM 1110 CA PRO A 68 28.620 22.481 8.949 1.00 0.00 C ATOM 1111 C PRO A 68 27.865 21.949 10.168 1.00 0.00 C ATOM 1112 O PRO A 68 27.997 22.485 11.267 1.00 0.00 O ATOM 1113 CB PRO A 68 29.382 23.765 9.236 1.00 0.00 C ATOM 1114 CG PRO A 68 28.548 24.887 8.641 1.00 0.00 C ATOM 1115 CD PRO A 68 27.511 24.260 7.722 1.00 0.00 C ATOM 0 HA PRO A 68 29.306 21.678 8.678 1.00 0.00 H new ATOM 0 HB2 PRO A 68 29.519 23.907 10.308 1.00 0.00 H new ATOM 0 HB3 PRO A 68 30.376 23.738 8.789 1.00 0.00 H new ATOM 0 HG2 PRO A 68 28.062 25.461 9.430 1.00 0.00 H new ATOM 0 HG3 PRO A 68 29.181 25.580 8.086 1.00 0.00 H new ATOM 0 HD2 PRO A 68 26.501 24.558 8.004 1.00 0.00 H new ATOM 0 HD3 PRO A 68 27.658 24.571 6.688 1.00 0.00 H new ATOM 1123 N GLY A 69 27.091 20.900 9.933 1.00 0.00 N ATOM 1124 CA GLY A 69 26.314 20.289 10.999 1.00 0.00 C ATOM 1125 C GLY A 69 25.253 19.344 10.432 1.00 0.00 C ATOM 1126 O GLY A 69 24.090 19.402 10.827 1.00 0.00 O ATOM 0 H GLY A 69 26.985 20.457 9.020 1.00 0.00 H new ATOM 0 HA2 GLY A 69 26.976 19.739 11.667 1.00 0.00 H new ATOM 0 HA3 GLY A 69 25.834 21.065 11.595 1.00 0.00 H new ATOM 1130 N ASN A 70 25.693 18.495 9.514 1.00 0.00 N ATOM 1131 CA ASN A 70 24.795 17.538 8.889 1.00 0.00 C ATOM 1132 C ASN A 70 25.481 16.172 8.818 1.00 0.00 C ATOM 1133 O ASN A 70 25.674 15.626 7.733 1.00 0.00 O ATOM 1134 CB ASN A 70 24.443 17.965 7.462 1.00 0.00 C ATOM 1135 CG ASN A 70 23.526 19.189 7.466 1.00 0.00 C ATOM 1136 OD1 ASN A 70 23.327 19.720 6.263 1.00 0.00 O flip ATOM 1137 ND2 ASN A 70 23.032 19.623 8.494 1.00 0.00 N flip ATOM 0 H ASN A 70 26.659 18.450 9.188 1.00 0.00 H new ATOM 0 HA ASN A 70 23.885 17.489 9.487 1.00 0.00 H new ATOM 0 HB2 ASN A 70 25.356 18.192 6.911 1.00 0.00 H new ATOM 0 HB3 ASN A 70 23.953 17.141 6.942 1.00 0.00 H new ATOM 0 HD21 ASN A 70 23.226 19.167 9.385 1.00 0.00 H new ATOM 0 HD22 ASN A 70 22.425 20.442 8.462 1.00 0.00 H new ATOM 1144 N PRO A 71 25.840 15.647 10.020 1.00 0.00 N ATOM 1145 CA PRO A 71 26.500 14.355 10.105 1.00 0.00 C ATOM 1146 C PRO A 71 25.508 13.215 9.864 1.00 0.00 C ATOM 1147 O PRO A 71 24.750 12.847 10.760 1.00 0.00 O ATOM 1148 CB PRO A 71 27.119 14.320 11.493 1.00 0.00 C ATOM 1149 CG PRO A 71 26.395 15.387 12.299 1.00 0.00 C ATOM 1150 CD PRO A 71 25.627 16.266 11.325 1.00 0.00 C ATOM 0 HA PRO A 71 27.264 14.222 9.339 1.00 0.00 H new ATOM 0 HB2 PRO A 71 26.999 13.337 11.949 1.00 0.00 H new ATOM 0 HB3 PRO A 71 28.189 14.523 11.449 1.00 0.00 H new ATOM 0 HG2 PRO A 71 25.715 14.928 13.016 1.00 0.00 H new ATOM 0 HG3 PRO A 71 27.107 15.982 12.871 1.00 0.00 H new ATOM 0 HD2 PRO A 71 24.567 16.304 11.577 1.00 0.00 H new ATOM 0 HD3 PRO A 71 25.996 17.292 11.342 1.00 0.00 H new ATOM 1158 N GLY A 72 25.545 12.689 8.649 1.00 0.00 N ATOM 1159 CA GLY A 72 24.659 11.598 8.278 1.00 0.00 C ATOM 1160 C GLY A 72 23.745 12.004 7.121 1.00 0.00 C ATOM 1161 O GLY A 72 24.144 11.944 5.959 1.00 0.00 O ATOM 0 H GLY A 72 26.175 12.998 7.908 1.00 0.00 H new ATOM 0 HA2 GLY A 72 25.249 10.727 7.992 1.00 0.00 H new ATOM 0 HA3 GLY A 72 24.056 11.306 9.138 1.00 0.00 H new ATOM 1165 N LYS A 73 22.535 12.409 7.479 1.00 0.00 N ATOM 1166 CA LYS A 73 21.561 12.825 6.484 1.00 0.00 C ATOM 1167 C LYS A 73 20.789 14.038 7.008 1.00 0.00 C ATOM 1168 O LYS A 73 19.560 14.024 7.057 1.00 0.00 O ATOM 1169 CB LYS A 73 20.664 11.650 6.089 1.00 0.00 C ATOM 1170 CG LYS A 73 20.525 11.554 4.568 1.00 0.00 C ATOM 1171 CD LYS A 73 19.319 10.695 4.181 1.00 0.00 C ATOM 1172 CE LYS A 73 19.367 10.320 2.699 1.00 0.00 C ATOM 1173 NZ LYS A 73 18.420 11.151 1.923 1.00 0.00 N ATOM 0 H LYS A 73 22.207 12.458 8.444 1.00 0.00 H new ATOM 0 HA LYS A 73 22.062 13.137 5.568 1.00 0.00 H new ATOM 0 HB2 LYS A 73 21.082 10.722 6.479 1.00 0.00 H new ATOM 0 HB3 LYS A 73 19.680 11.771 6.541 1.00 0.00 H new ATOM 0 HG2 LYS A 73 20.415 12.553 4.145 1.00 0.00 H new ATOM 0 HG3 LYS A 73 21.433 11.126 4.143 1.00 0.00 H new ATOM 0 HD2 LYS A 73 19.302 9.790 4.789 1.00 0.00 H new ATOM 0 HD3 LYS A 73 18.398 11.238 4.393 1.00 0.00 H new ATOM 0 HE2 LYS A 73 20.378 10.457 2.316 1.00 0.00 H new ATOM 0 HE3 LYS A 73 19.120 9.266 2.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 18.465 10.883 0.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 17.454 11.000 2.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 18.674 12.154 2.026 1.00 0.00 H new ATOM 1187 N GLY A 74 21.543 15.060 7.387 1.00 0.00 N ATOM 1188 CA GLY A 74 20.946 16.279 7.906 1.00 0.00 C ATOM 1189 C GLY A 74 21.033 17.411 6.881 1.00 0.00 C ATOM 1190 O GLY A 74 21.987 17.482 6.108 1.00 0.00 O ATOM 0 H GLY A 74 22.562 15.069 7.345 1.00 0.00 H new ATOM 0 HA2 GLY A 74 19.903 16.096 8.164 1.00 0.00 H new ATOM 0 HA3 GLY A 74 21.454 16.575 8.824 1.00 0.00 H new ATOM 1194 N ASN A 75 20.024 18.270 6.907 1.00 0.00 N ATOM 1195 CA ASN A 75 19.975 19.395 5.990 1.00 0.00 C ATOM 1196 C ASN A 75 18.699 20.201 6.246 1.00 0.00 C ATOM 1197 O ASN A 75 17.937 19.889 7.159 1.00 0.00 O ATOM 1198 CB ASN A 75 19.950 18.920 4.536 1.00 0.00 C ATOM 1199 CG ASN A 75 18.857 17.872 4.320 1.00 0.00 C ATOM 1200 OD1 ASN A 75 18.363 17.252 5.248 1.00 0.00 O ATOM 1201 ND2 ASN A 75 18.507 17.709 3.048 1.00 0.00 N ATOM 0 H ASN A 75 19.234 18.209 7.549 1.00 0.00 H new ATOM 0 HA ASN A 75 20.864 20.004 6.155 1.00 0.00 H new ATOM 0 HB2 ASN A 75 19.780 19.770 3.875 1.00 0.00 H new ATOM 0 HB3 ASN A 75 20.920 18.499 4.271 1.00 0.00 H new ATOM 0 HD21 ASN A 75 17.785 17.032 2.800 1.00 0.00 H new ATOM 0 HD22 ASN A 75 18.960 18.261 2.320 1.00 0.00 H new ATOM 1208 N TYR A 76 18.507 21.222 5.424 1.00 0.00 N ATOM 1209 CA TYR A 76 17.337 22.074 5.550 1.00 0.00 C ATOM 1210 C TYR A 76 17.065 22.828 4.247 1.00 0.00 C ATOM 1211 O TYR A 76 17.996 23.271 3.575 1.00 0.00 O ATOM 1212 CB TYR A 76 17.669 23.085 6.650 1.00 0.00 C ATOM 1213 CG TYR A 76 18.396 22.480 7.852 1.00 0.00 C ATOM 1214 CD1 TYR A 76 17.691 21.758 8.794 1.00 0.00 C ATOM 1215 CD2 TYR A 76 19.758 22.656 7.995 1.00 0.00 C ATOM 1216 CE1 TYR A 76 18.376 21.188 9.925 1.00 0.00 C ATOM 1217 CE2 TYR A 76 20.442 22.087 9.127 1.00 0.00 C ATOM 1218 CZ TYR A 76 19.718 21.381 10.036 1.00 0.00 C ATOM 1219 OH TYR A 76 20.365 20.843 11.104 1.00 0.00 O ATOM 0 H TYR A 76 19.142 21.478 4.668 1.00 0.00 H new ATOM 0 HA TYR A 76 16.452 21.480 5.780 1.00 0.00 H new ATOM 0 HB2 TYR A 76 18.286 23.878 6.227 1.00 0.00 H new ATOM 0 HB3 TYR A 76 16.745 23.549 6.993 1.00 0.00 H new ATOM 0 HD1 TYR A 76 16.626 21.621 8.683 1.00 0.00 H new ATOM 0 HD2 TYR A 76 20.310 23.220 7.258 1.00 0.00 H new ATOM 0 HE1 TYR A 76 17.836 20.620 10.668 1.00 0.00 H new ATOM 0 HE2 TYR A 76 21.507 22.218 9.251 1.00 0.00 H new ATOM 0 HH TYR A 76 21.319 21.060 11.052 1.00 0.00 H new ATOM 1229 N TRP A 77 15.785 22.951 3.928 1.00 0.00 N ATOM 1230 CA TRP A 77 15.379 23.644 2.717 1.00 0.00 C ATOM 1231 C TRP A 77 14.534 24.853 3.125 1.00 0.00 C ATOM 1232 O TRP A 77 14.075 24.938 4.263 1.00 0.00 O ATOM 1233 CB TRP A 77 14.647 22.698 1.763 1.00 0.00 C ATOM 1234 CG TRP A 77 15.522 21.570 1.212 1.00 0.00 C ATOM 1235 CD1 TRP A 77 16.628 21.043 1.756 1.00 0.00 C ATOM 1236 CD2 TRP A 77 15.319 20.848 -0.021 1.00 0.00 C ATOM 1237 NE1 TRP A 77 17.150 20.038 0.967 1.00 0.00 N ATOM 1238 CE2 TRP A 77 16.329 19.916 -0.147 1.00 0.00 C ATOM 1239 CE3 TRP A 77 14.315 20.979 -0.996 1.00 0.00 C ATOM 1240 CZ2 TRP A 77 16.433 19.042 -1.236 1.00 0.00 C ATOM 1241 CZ3 TRP A 77 14.433 20.098 -2.078 1.00 0.00 C ATOM 1242 CH2 TRP A 77 15.444 19.154 -2.221 1.00 0.00 C ATOM 0 H TRP A 77 15.016 22.583 4.487 1.00 0.00 H new ATOM 0 HA TRP A 77 16.250 23.998 2.165 1.00 0.00 H new ATOM 0 HB2 TRP A 77 13.795 22.262 2.284 1.00 0.00 H new ATOM 0 HB3 TRP A 77 14.249 23.276 0.929 1.00 0.00 H new ATOM 0 HD1 TRP A 77 17.057 21.364 2.694 1.00 0.00 H new ATOM 0 HE1 TRP A 77 17.985 19.486 1.165 1.00 0.00 H new ATOM 0 HE3 TRP A 77 13.516 21.702 -0.917 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 17.233 18.320 -1.312 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 13.686 20.156 -2.856 1.00 0.00 H new ATOM 0 HH2 TRP A 77 15.466 18.510 -3.088 1.00 0.00 H new ATOM 1253 N THR A 78 14.354 25.757 2.173 1.00 0.00 N ATOM 1254 CA THR A 78 13.573 26.957 2.419 1.00 0.00 C ATOM 1255 C THR A 78 12.629 27.228 1.246 1.00 0.00 C ATOM 1256 O THR A 78 13.075 27.408 0.114 1.00 0.00 O ATOM 1257 CB THR A 78 14.545 28.106 2.695 1.00 0.00 C ATOM 1258 OG1 THR A 78 14.989 27.872 4.029 1.00 0.00 O ATOM 1259 CG2 THR A 78 13.841 29.463 2.769 1.00 0.00 C ATOM 0 H THR A 78 14.736 25.682 1.230 1.00 0.00 H new ATOM 0 HA THR A 78 12.931 26.839 3.292 1.00 0.00 H new ATOM 0 HB THR A 78 15.306 28.134 1.915 1.00 0.00 H new ATOM 0 HG1 THR A 78 15.625 28.571 4.289 1.00 0.00 H new ATOM 0 HG21 THR A 78 14.576 30.244 2.967 1.00 0.00 H new ATOM 0 HG22 THR A 78 13.342 29.666 1.822 1.00 0.00 H new ATOM 0 HG23 THR A 78 13.104 29.447 3.572 1.00 0.00 H new ATOM 1267 N LEU A 79 11.341 27.249 1.557 1.00 0.00 N ATOM 1268 CA LEU A 79 10.330 27.496 0.543 1.00 0.00 C ATOM 1269 C LEU A 79 9.510 28.726 0.935 1.00 0.00 C ATOM 1270 O LEU A 79 9.193 28.917 2.108 1.00 0.00 O ATOM 1271 CB LEU A 79 9.485 26.241 0.312 1.00 0.00 C ATOM 1272 CG LEU A 79 8.307 26.393 -0.652 1.00 0.00 C ATOM 1273 CD1 LEU A 79 7.044 26.832 0.091 1.00 0.00 C ATOM 1274 CD2 LEU A 79 8.657 27.343 -1.799 1.00 0.00 C ATOM 0 H LEU A 79 10.974 27.099 2.497 1.00 0.00 H new ATOM 0 HA LEU A 79 10.799 27.718 -0.416 1.00 0.00 H new ATOM 0 HB2 LEU A 79 10.137 25.452 -0.064 1.00 0.00 H new ATOM 0 HB3 LEU A 79 9.100 25.904 1.275 1.00 0.00 H new ATOM 0 HG LEU A 79 8.098 25.418 -1.093 1.00 0.00 H new ATOM 0 HD11 LEU A 79 6.222 26.933 -0.617 1.00 0.00 H new ATOM 0 HD12 LEU A 79 6.786 26.086 0.843 1.00 0.00 H new ATOM 0 HD13 LEU A 79 7.223 27.791 0.578 1.00 0.00 H new ATOM 0 HD21 LEU A 79 7.803 27.434 -2.470 1.00 0.00 H new ATOM 0 HD22 LEU A 79 8.907 28.324 -1.395 1.00 0.00 H new ATOM 0 HD23 LEU A 79 9.511 26.949 -2.350 1.00 0.00 H new ATOM 1286 N ASP A 80 9.188 29.528 -0.070 1.00 0.00 N ATOM 1287 CA ASP A 80 8.410 30.734 0.155 1.00 0.00 C ATOM 1288 C ASP A 80 7.001 30.350 0.611 1.00 0.00 C ATOM 1289 O ASP A 80 6.473 29.317 0.203 1.00 0.00 O ATOM 1290 CB ASP A 80 8.284 31.556 -1.129 1.00 0.00 C ATOM 1291 CG ASP A 80 8.244 33.072 -0.926 1.00 0.00 C ATOM 1292 OD1 ASP A 80 9.169 33.579 -0.256 1.00 0.00 O ATOM 1293 OD2 ASP A 80 7.289 33.689 -1.445 1.00 0.00 O ATOM 0 H ASP A 80 9.452 29.366 -1.042 1.00 0.00 H new ATOM 0 HA ASP A 80 8.920 31.327 0.914 1.00 0.00 H new ATOM 0 HB2 ASP A 80 9.123 31.314 -1.781 1.00 0.00 H new ATOM 0 HB3 ASP A 80 7.377 31.250 -1.650 1.00 0.00 H new ATOM 1298 N PRO A 81 6.418 31.225 1.474 1.00 0.00 N ATOM 1299 CA PRO A 81 5.081 30.987 1.990 1.00 0.00 C ATOM 1300 C PRO A 81 4.022 31.279 0.924 1.00 0.00 C ATOM 1301 O PRO A 81 3.490 32.386 0.860 1.00 0.00 O ATOM 1302 CB PRO A 81 4.963 31.890 3.207 1.00 0.00 C ATOM 1303 CG PRO A 81 6.056 32.936 3.058 1.00 0.00 C ATOM 1304 CD PRO A 81 7.014 32.458 1.980 1.00 0.00 C ATOM 0 HA PRO A 81 4.915 29.945 2.266 1.00 0.00 H new ATOM 0 HB2 PRO A 81 3.979 32.357 3.253 1.00 0.00 H new ATOM 0 HB3 PRO A 81 5.089 31.322 4.129 1.00 0.00 H new ATOM 0 HG2 PRO A 81 5.627 33.901 2.787 1.00 0.00 H new ATOM 0 HG3 PRO A 81 6.582 33.075 4.002 1.00 0.00 H new ATOM 0 HD2 PRO A 81 7.121 33.200 1.189 1.00 0.00 H new ATOM 0 HD3 PRO A 81 8.010 32.279 2.386 1.00 0.00 H new ATOM 1312 N GLN A 82 3.749 30.267 0.115 1.00 0.00 N ATOM 1313 CA GLN A 82 2.764 30.401 -0.945 1.00 0.00 C ATOM 1314 C GLN A 82 2.902 29.253 -1.947 1.00 0.00 C ATOM 1315 O GLN A 82 2.804 29.463 -3.155 1.00 0.00 O ATOM 1316 CB GLN A 82 2.890 31.756 -1.643 1.00 0.00 C ATOM 1317 CG GLN A 82 1.669 32.634 -1.362 1.00 0.00 C ATOM 1318 CD GLN A 82 1.439 33.634 -2.497 1.00 0.00 C ATOM 1319 OE1 GLN A 82 2.000 33.528 -3.575 1.00 0.00 O ATOM 1320 NE2 GLN A 82 0.585 34.607 -2.196 1.00 0.00 N ATOM 0 H GLN A 82 4.193 29.350 0.172 1.00 0.00 H new ATOM 0 HA GLN A 82 1.771 30.350 -0.499 1.00 0.00 H new ATOM 0 HB2 GLN A 82 3.793 32.262 -1.301 1.00 0.00 H new ATOM 0 HB3 GLN A 82 2.995 31.607 -2.718 1.00 0.00 H new ATOM 0 HG2 GLN A 82 0.786 32.007 -1.241 1.00 0.00 H new ATOM 0 HG3 GLN A 82 1.810 33.170 -0.424 1.00 0.00 H new ATOM 0 HE21 GLN A 82 0.150 34.637 -1.274 1.00 0.00 H new ATOM 0 HE22 GLN A 82 0.364 35.324 -2.887 1.00 0.00 H new ATOM 1329 N SER A 83 3.129 28.064 -1.408 1.00 0.00 N ATOM 1330 CA SER A 83 3.282 26.882 -2.240 1.00 0.00 C ATOM 1331 C SER A 83 1.908 26.354 -2.657 1.00 0.00 C ATOM 1332 O SER A 83 1.779 25.693 -3.687 1.00 0.00 O ATOM 1333 CB SER A 83 4.070 25.793 -1.510 1.00 0.00 C ATOM 1334 OG SER A 83 3.742 24.489 -1.982 1.00 0.00 O ATOM 0 H SER A 83 3.211 27.894 -0.406 1.00 0.00 H new ATOM 0 HA SER A 83 3.842 27.162 -3.132 1.00 0.00 H new ATOM 0 HB2 SER A 83 5.138 25.968 -1.642 1.00 0.00 H new ATOM 0 HB3 SER A 83 3.867 25.853 -0.441 1.00 0.00 H new ATOM 0 HG SER A 83 4.336 24.251 -2.724 1.00 0.00 H new ATOM 1340 N GLU A 84 0.916 26.665 -1.836 1.00 0.00 N ATOM 1341 CA GLU A 84 -0.444 26.230 -2.107 1.00 0.00 C ATOM 1342 C GLU A 84 -1.136 27.211 -3.055 1.00 0.00 C ATOM 1343 O GLU A 84 -1.873 26.799 -3.950 1.00 0.00 O ATOM 1344 CB GLU A 84 -1.237 26.070 -0.808 1.00 0.00 C ATOM 1345 CG GLU A 84 -2.586 25.396 -1.069 1.00 0.00 C ATOM 1346 CD GLU A 84 -3.743 26.353 -0.777 1.00 0.00 C ATOM 1347 OE1 GLU A 84 -3.733 27.453 -1.370 1.00 0.00 O ATOM 1348 OE2 GLU A 84 -4.611 25.963 0.033 1.00 0.00 O ATOM 0 H GLU A 84 1.027 27.213 -0.983 1.00 0.00 H new ATOM 0 HA GLU A 84 -0.403 25.255 -2.592 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -0.662 25.477 -0.097 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -1.397 27.047 -0.352 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -2.636 25.065 -2.106 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -2.679 24.507 -0.446 1.00 0.00 H new ATOM 1355 N ASP A 85 -0.874 28.489 -2.828 1.00 0.00 N ATOM 1356 CA ASP A 85 -1.463 29.532 -3.651 1.00 0.00 C ATOM 1357 C ASP A 85 -1.001 29.354 -5.099 1.00 0.00 C ATOM 1358 O ASP A 85 -1.807 29.427 -6.025 1.00 0.00 O ATOM 1359 CB ASP A 85 -1.022 30.919 -3.181 1.00 0.00 C ATOM 1360 CG ASP A 85 -1.414 32.071 -4.108 1.00 0.00 C ATOM 1361 OD1 ASP A 85 -2.559 32.552 -3.963 1.00 0.00 O ATOM 1362 OD2 ASP A 85 -0.560 32.445 -4.942 1.00 0.00 O ATOM 0 H ASP A 85 -0.261 28.827 -2.086 1.00 0.00 H new ATOM 0 HA ASP A 85 -2.547 29.453 -3.572 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -1.449 31.105 -2.195 1.00 0.00 H new ATOM 0 HB3 ASP A 85 0.062 30.919 -3.065 1.00 0.00 H new ATOM 1367 N MET A 86 0.295 29.125 -5.248 1.00 0.00 N ATOM 1368 CA MET A 86 0.874 28.936 -6.568 1.00 0.00 C ATOM 1369 C MET A 86 0.443 27.597 -7.170 1.00 0.00 C ATOM 1370 O MET A 86 0.648 27.352 -8.357 1.00 0.00 O ATOM 1371 CB MET A 86 2.400 28.983 -6.467 1.00 0.00 C ATOM 1372 CG MET A 86 2.931 27.815 -5.634 1.00 0.00 C ATOM 1373 SD MET A 86 3.938 26.747 -6.650 1.00 0.00 S ATOM 1374 CE MET A 86 4.125 25.356 -5.548 1.00 0.00 C ATOM 0 H MET A 86 0.961 29.066 -4.477 1.00 0.00 H new ATOM 0 HA MET A 86 0.519 29.736 -7.218 1.00 0.00 H new ATOM 0 HB2 MET A 86 2.835 28.949 -7.466 1.00 0.00 H new ATOM 0 HB3 MET A 86 2.709 29.926 -6.016 1.00 0.00 H new ATOM 0 HG2 MET A 86 3.517 28.192 -4.796 1.00 0.00 H new ATOM 0 HG3 MET A 86 2.099 27.251 -5.212 1.00 0.00 H new ATOM 0 HE1 MET A 86 4.858 24.662 -5.959 1.00 0.00 H new ATOM 0 HE2 MET A 86 4.464 25.707 -4.573 1.00 0.00 H new ATOM 0 HE3 MET A 86 3.167 24.848 -5.438 1.00 0.00 H new ATOM 1384 N PHE A 87 -0.147 26.767 -6.323 1.00 0.00 N ATOM 1385 CA PHE A 87 -0.609 25.459 -6.756 1.00 0.00 C ATOM 1386 C PHE A 87 -1.980 25.557 -7.428 1.00 0.00 C ATOM 1387 O PHE A 87 -2.140 25.162 -8.582 1.00 0.00 O ATOM 1388 CB PHE A 87 -0.729 24.589 -5.503 1.00 0.00 C ATOM 1389 CG PHE A 87 -0.635 23.087 -5.778 1.00 0.00 C ATOM 1390 CD1 PHE A 87 0.367 22.599 -6.558 1.00 0.00 C ATOM 1391 CD2 PHE A 87 -1.553 22.239 -5.241 1.00 0.00 C ATOM 1392 CE1 PHE A 87 0.454 21.205 -6.812 1.00 0.00 C ATOM 1393 CE2 PHE A 87 -1.466 20.845 -5.496 1.00 0.00 C ATOM 1394 CZ PHE A 87 -0.464 20.357 -6.276 1.00 0.00 C ATOM 0 H PHE A 87 -0.316 26.975 -5.339 1.00 0.00 H new ATOM 0 HA PHE A 87 0.091 25.038 -7.478 1.00 0.00 H new ATOM 0 HB2 PHE A 87 0.057 24.870 -4.802 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -1.681 24.800 -5.016 1.00 0.00 H new ATOM 0 HD1 PHE A 87 1.096 23.272 -6.984 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -2.348 22.626 -4.621 1.00 0.00 H new ATOM 0 HE1 PHE A 87 1.250 20.818 -7.431 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -2.196 20.172 -5.071 1.00 0.00 H new ATOM 0 HZ PHE A 87 -0.398 19.297 -6.469 1.00 0.00 H new