USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 589 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 Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -0.192 X(o=-0.19,f=-0.19) USER MOD Single : A 36 THR OG1 : rot 150:sc= -0.234 USER MOD Single : A 39 HIS : no HD1:sc= -0.579 X(o=-0.58,f=-0.18) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.00381 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 163:sc= -0.0621 (180deg=-0.478) USER MOD Single : A 52 THR OG1 : rot 84:sc= 0.00309 USER MOD Single : A 56 GLN : amide:sc= -0.206 X(o=-0.21,f=-0.2) USER MOD Single : A 58 ASN : amide:sc= -0.0257 X(o=-0.026,f=-0.05) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= -0.0139 X(o=-0.014,f=-0.063) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -0.0124 X(o=-0.012,f=0) USER MOD Single : A 70 GLN : amide:sc= -1.51 K(o=-1.5,f=-5.5!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot -173:sc= -3! USER MOD Single : A 78 GLN : amide:sc= -3.15! C(o=-3.1!,f=-6.7!) USER MOD Single : A 82 HIS : no HD1:sc= -1.04! C(o=-1!,f=-2.8!) USER MOD Single : A 83 ASN : amide:sc= -0.793 K(o=-0.79,f=-2.5!) USER MOD Single : A 85 LYS NZ :NH3+ -170:sc= 0.211 (180deg=0.171) USER MOD Single : A 87 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 172 N ILE A 15 14.010 -5.132 1.769 1.00 0.00 N ATOM 173 CA ILE A 15 12.673 -4.977 2.316 1.00 0.00 C ATOM 174 C ILE A 15 12.556 -3.606 2.984 1.00 0.00 C ATOM 175 O ILE A 15 13.564 -2.959 3.261 1.00 0.00 O ATOM 176 CB ILE A 15 12.335 -6.145 3.245 1.00 0.00 C ATOM 177 CG1 ILE A 15 12.012 -7.408 2.443 1.00 0.00 C ATOM 178 CG2 ILE A 15 11.205 -5.772 4.206 1.00 0.00 C ATOM 179 CD1 ILE A 15 11.155 -8.374 3.264 1.00 0.00 C ATOM 0 HA ILE A 15 11.930 -5.008 1.519 1.00 0.00 H new ATOM 0 HB ILE A 15 13.214 -6.364 3.851 1.00 0.00 H new ATOM 0 HG12 ILE A 15 11.486 -7.137 1.528 1.00 0.00 H new ATOM 0 HG13 ILE A 15 12.938 -7.901 2.145 1.00 0.00 H new ATOM 0 HG21 ILE A 15 10.985 -6.620 4.855 1.00 0.00 H new ATOM 0 HG22 ILE A 15 11.510 -4.920 4.813 1.00 0.00 H new ATOM 0 HG23 ILE A 15 10.314 -5.510 3.636 1.00 0.00 H new ATOM 0 HD11 ILE A 15 10.940 -9.263 2.671 1.00 0.00 H new ATOM 0 HD12 ILE A 15 11.694 -8.662 4.167 1.00 0.00 H new ATOM 0 HD13 ILE A 15 10.220 -7.886 3.540 1.00 0.00 H new ATOM 191 N ALA A 16 11.316 -3.204 3.224 1.00 0.00 N ATOM 192 CA ALA A 16 11.054 -1.921 3.854 1.00 0.00 C ATOM 193 C ALA A 16 9.769 -2.016 4.679 1.00 0.00 C ATOM 194 O ALA A 16 8.757 -2.526 4.201 1.00 0.00 O ATOM 195 CB ALA A 16 10.981 -0.831 2.784 1.00 0.00 C ATOM 0 H ALA A 16 10.482 -3.744 2.993 1.00 0.00 H new ATOM 0 HA ALA A 16 11.863 -1.655 4.534 1.00 0.00 H new ATOM 0 HB1 ALA A 16 10.784 0.131 3.257 1.00 0.00 H new ATOM 0 HB2 ALA A 16 11.928 -0.784 2.247 1.00 0.00 H new ATOM 0 HB3 ALA A 16 10.178 -1.062 2.084 1.00 0.00 H new ATOM 201 N THR A 17 9.852 -1.518 5.904 1.00 0.00 N ATOM 202 CA THR A 17 8.708 -1.540 6.799 1.00 0.00 C ATOM 203 C THR A 17 7.714 -0.440 6.422 1.00 0.00 C ATOM 204 O THR A 17 8.091 0.723 6.287 1.00 0.00 O ATOM 205 CB THR A 17 9.228 -1.424 8.234 1.00 0.00 C ATOM 206 OG1 THR A 17 9.949 -2.635 8.441 1.00 0.00 O ATOM 207 CG2 THR A 17 8.104 -1.477 9.270 1.00 0.00 C ATOM 0 H THR A 17 10.694 -1.097 6.297 1.00 0.00 H new ATOM 0 HA THR A 17 8.156 -2.476 6.712 1.00 0.00 H new ATOM 0 HB THR A 17 9.780 -0.491 8.346 1.00 0.00 H new ATOM 0 HG1 THR A 17 10.322 -2.643 9.347 1.00 0.00 H new ATOM 0 HG21 THR A 17 8.527 -1.391 10.271 1.00 0.00 H new ATOM 0 HG22 THR A 17 7.411 -0.654 9.097 1.00 0.00 H new ATOM 0 HG23 THR A 17 7.572 -2.424 9.182 1.00 0.00 H new ATOM 215 N ILE A 18 6.463 -0.846 6.264 1.00 0.00 N ATOM 216 CA ILE A 18 5.411 0.091 5.905 1.00 0.00 C ATOM 217 C ILE A 18 4.318 0.058 6.975 1.00 0.00 C ATOM 218 O ILE A 18 3.926 -1.014 7.434 1.00 0.00 O ATOM 219 CB ILE A 18 4.898 -0.195 4.492 1.00 0.00 C ATOM 220 CG1 ILE A 18 6.060 -0.412 3.520 1.00 0.00 C ATOM 221 CG2 ILE A 18 3.953 0.910 4.018 1.00 0.00 C ATOM 222 CD1 ILE A 18 5.547 -0.751 2.119 1.00 0.00 C ATOM 0 H ILE A 18 6.154 -1.811 6.378 1.00 0.00 H new ATOM 0 HA ILE A 18 5.800 1.109 5.878 1.00 0.00 H new ATOM 0 HB ILE A 18 4.323 -1.121 4.518 1.00 0.00 H new ATOM 0 HG12 ILE A 18 6.676 0.486 3.478 1.00 0.00 H new ATOM 0 HG13 ILE A 18 6.697 -1.219 3.883 1.00 0.00 H new ATOM 0 HG21 ILE A 18 3.603 0.682 3.011 1.00 0.00 H new ATOM 0 HG22 ILE A 18 3.100 0.973 4.693 1.00 0.00 H new ATOM 0 HG23 ILE A 18 4.482 1.863 4.011 1.00 0.00 H new ATOM 0 HD11 ILE A 18 6.393 -0.900 1.448 1.00 0.00 H new ATOM 0 HD12 ILE A 18 4.951 -1.663 2.160 1.00 0.00 H new ATOM 0 HD13 ILE A 18 4.931 0.068 1.749 1.00 0.00 H new ATOM 234 N GLU A 19 3.857 1.245 7.341 1.00 0.00 N ATOM 235 CA GLU A 19 2.817 1.366 8.348 1.00 0.00 C ATOM 236 C GLU A 19 1.452 1.552 7.682 1.00 0.00 C ATOM 237 O GLU A 19 1.186 2.594 7.085 1.00 0.00 O ATOM 238 CB GLU A 19 3.118 2.515 9.312 1.00 0.00 C ATOM 239 CG GLU A 19 2.840 2.103 10.759 1.00 0.00 C ATOM 240 CD GLU A 19 2.835 3.321 11.685 1.00 0.00 C ATOM 241 OE1 GLU A 19 3.937 3.866 11.912 1.00 0.00 O ATOM 242 OE2 GLU A 19 1.730 3.681 12.144 1.00 0.00 O ATOM 0 H GLU A 19 4.185 2.132 6.958 1.00 0.00 H new ATOM 0 HA GLU A 19 2.793 0.444 8.930 1.00 0.00 H new ATOM 0 HB2 GLU A 19 4.160 2.817 9.210 1.00 0.00 H new ATOM 0 HB3 GLU A 19 2.509 3.381 9.053 1.00 0.00 H new ATOM 0 HG2 GLU A 19 1.878 1.594 10.817 1.00 0.00 H new ATOM 0 HG3 GLU A 19 3.598 1.393 11.091 1.00 0.00 H new ATOM 249 N VAL A 20 0.623 0.526 7.806 1.00 0.00 N ATOM 250 CA VAL A 20 -0.707 0.564 7.224 1.00 0.00 C ATOM 251 C VAL A 20 -1.701 1.085 8.264 1.00 0.00 C ATOM 252 O VAL A 20 -1.904 0.457 9.302 1.00 0.00 O ATOM 253 CB VAL A 20 -1.080 -0.817 6.680 1.00 0.00 C ATOM 254 CG1 VAL A 20 -2.452 -0.788 6.004 1.00 0.00 C ATOM 255 CG2 VAL A 20 -0.007 -1.337 5.721 1.00 0.00 C ATOM 0 H VAL A 20 0.847 -0.337 8.301 1.00 0.00 H new ATOM 0 HA VAL A 20 -0.733 1.250 6.378 1.00 0.00 H new ATOM 0 HB VAL A 20 -1.137 -1.505 7.524 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -2.693 -1.782 5.626 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -3.208 -0.482 6.727 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -2.435 -0.080 5.176 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -0.297 -2.320 5.349 1.00 0.00 H new ATOM 0 HG22 VAL A 20 0.097 -0.648 4.883 1.00 0.00 H new ATOM 0 HG23 VAL A 20 0.945 -1.414 6.247 1.00 0.00 H new ATOM 265 N PHE A 21 -2.293 2.228 7.950 1.00 0.00 N ATOM 266 CA PHE A 21 -3.259 2.840 8.845 1.00 0.00 C ATOM 267 C PHE A 21 -4.690 2.565 8.378 1.00 0.00 C ATOM 268 O PHE A 21 -5.216 3.278 7.525 1.00 0.00 O ATOM 269 CB PHE A 21 -3.006 4.349 8.813 1.00 0.00 C ATOM 270 CG PHE A 21 -1.802 4.796 9.644 1.00 0.00 C ATOM 271 CD1 PHE A 21 -1.830 4.680 10.999 1.00 0.00 C ATOM 272 CD2 PHE A 21 -0.703 5.309 9.028 1.00 0.00 C ATOM 273 CE1 PHE A 21 -0.712 5.094 11.770 1.00 0.00 C ATOM 274 CE2 PHE A 21 0.415 5.724 9.799 1.00 0.00 C ATOM 275 CZ PHE A 21 0.386 5.608 11.154 1.00 0.00 C ATOM 0 H PHE A 21 -2.122 2.746 7.088 1.00 0.00 H new ATOM 0 HA PHE A 21 -3.148 2.430 9.849 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -2.856 4.660 7.779 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -3.896 4.864 9.175 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -2.703 4.273 11.488 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -0.681 5.401 7.952 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -0.734 5.001 12.846 1.00 0.00 H new ATOM 0 HE2 PHE A 21 1.288 6.131 9.310 1.00 0.00 H new ATOM 0 HZ PHE A 21 1.236 5.924 11.741 1.00 0.00 H new ATOM 285 N LEU A 22 -5.279 1.530 8.957 1.00 0.00 N ATOM 286 CA LEU A 22 -6.639 1.151 8.611 1.00 0.00 C ATOM 287 C LEU A 22 -7.603 2.238 9.089 1.00 0.00 C ATOM 288 O LEU A 22 -7.275 3.014 9.985 1.00 0.00 O ATOM 289 CB LEU A 22 -6.963 -0.241 9.155 1.00 0.00 C ATOM 290 CG LEU A 22 -6.229 -1.408 8.492 1.00 0.00 C ATOM 291 CD1 LEU A 22 -6.468 -2.712 9.256 1.00 0.00 C ATOM 292 CD2 LEU A 22 -6.615 -1.530 7.016 1.00 0.00 C ATOM 0 H LEU A 22 -4.839 0.941 9.664 1.00 0.00 H new ATOM 0 HA LEU A 22 -6.751 1.078 7.529 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -6.737 -0.254 10.221 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -8.035 -0.408 9.054 1.00 0.00 H new ATOM 0 HG LEU A 22 -5.159 -1.204 8.530 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -5.935 -3.525 8.763 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -6.105 -2.607 10.278 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -7.535 -2.934 9.271 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -6.080 -2.367 6.568 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -7.688 -1.700 6.934 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -6.352 -0.610 6.494 1.00 0.00 H new ATOM 304 N PRO A 23 -8.806 2.260 8.454 1.00 0.00 N ATOM 305 CA PRO A 23 -9.820 3.239 8.805 1.00 0.00 C ATOM 306 C PRO A 23 -10.490 2.882 10.134 1.00 0.00 C ATOM 307 O PRO A 23 -10.330 1.770 10.634 1.00 0.00 O ATOM 308 CB PRO A 23 -10.788 3.240 7.633 1.00 0.00 C ATOM 309 CG PRO A 23 -10.541 1.939 6.887 1.00 0.00 C ATOM 310 CD PRO A 23 -9.229 1.357 7.388 1.00 0.00 C ATOM 0 HA PRO A 23 -9.406 4.235 8.964 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -11.820 3.302 7.979 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -10.617 4.100 6.986 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -11.359 1.239 7.058 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -10.494 2.118 5.813 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -9.363 0.341 7.760 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -8.487 1.310 6.591 1.00 0.00 H new ATOM 318 N PRO A 24 -11.245 3.872 10.681 1.00 0.00 N ATOM 319 CA PRO A 24 -11.940 3.674 11.942 1.00 0.00 C ATOM 320 C PRO A 24 -13.174 2.789 11.754 1.00 0.00 C ATOM 321 O PRO A 24 -14.237 3.273 11.371 1.00 0.00 O ATOM 322 CB PRO A 24 -12.280 5.073 12.428 1.00 0.00 C ATOM 323 CG PRO A 24 -12.180 5.974 11.208 1.00 0.00 C ATOM 324 CD PRO A 24 -11.457 5.202 10.116 1.00 0.00 C ATOM 0 HA PRO A 24 -11.333 3.148 12.679 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -13.282 5.105 12.856 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -11.590 5.394 13.208 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -13.173 6.272 10.871 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -11.638 6.888 11.452 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -12.052 5.155 9.204 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -10.511 5.677 9.855 1.00 0.00 H new ATOM 477 N ASN A 32 0.032 -2.093 12.772 1.00 0.00 N ATOM 478 CA ASN A 32 0.134 -3.043 11.678 1.00 0.00 C ATOM 479 C ASN A 32 1.258 -2.609 10.734 1.00 0.00 C ATOM 480 O ASN A 32 1.131 -1.607 10.032 1.00 0.00 O ATOM 481 CB ASN A 32 -1.165 -3.098 10.872 1.00 0.00 C ATOM 482 CG ASN A 32 -2.353 -3.451 11.769 1.00 0.00 C ATOM 483 OD1 ASN A 32 -2.452 -4.539 12.311 1.00 0.00 O ATOM 484 ND2 ASN A 32 -3.245 -2.473 11.895 1.00 0.00 N ATOM 0 HA ASN A 32 0.336 -4.026 12.104 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -1.341 -2.135 10.392 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -1.073 -3.838 10.077 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -4.074 -2.610 12.474 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -3.100 -1.586 11.413 1.00 0.00 H new ATOM 491 N LEU A 33 2.332 -3.384 10.749 1.00 0.00 N ATOM 492 CA LEU A 33 3.477 -3.092 9.903 1.00 0.00 C ATOM 493 C LEU A 33 3.501 -4.071 8.728 1.00 0.00 C ATOM 494 O LEU A 33 3.359 -5.278 8.918 1.00 0.00 O ATOM 495 CB LEU A 33 4.766 -3.091 10.728 1.00 0.00 C ATOM 496 CG LEU A 33 4.931 -1.931 11.712 1.00 0.00 C ATOM 497 CD1 LEU A 33 6.167 -2.129 12.591 1.00 0.00 C ATOM 498 CD2 LEU A 33 4.959 -0.589 10.978 1.00 0.00 C ATOM 0 H LEU A 33 2.434 -4.214 11.333 1.00 0.00 H new ATOM 0 HA LEU A 33 3.393 -2.090 9.482 1.00 0.00 H new ATOM 0 HB2 LEU A 33 4.817 -4.026 11.287 1.00 0.00 H new ATOM 0 HB3 LEU A 33 5.613 -3.083 10.042 1.00 0.00 H new ATOM 0 HG LEU A 33 4.064 -1.918 12.373 1.00 0.00 H new ATOM 0 HD11 LEU A 33 6.261 -1.291 13.281 1.00 0.00 H new ATOM 0 HD12 LEU A 33 6.066 -3.055 13.157 1.00 0.00 H new ATOM 0 HD13 LEU A 33 7.056 -2.183 11.962 1.00 0.00 H new ATOM 0 HD21 LEU A 33 5.077 0.219 11.701 1.00 0.00 H new ATOM 0 HD22 LEU A 33 5.794 -0.575 10.278 1.00 0.00 H new ATOM 0 HD23 LEU A 33 4.025 -0.453 10.432 1.00 0.00 H new ATOM 510 N LEU A 34 3.680 -3.514 7.539 1.00 0.00 N ATOM 511 CA LEU A 34 3.724 -4.323 6.333 1.00 0.00 C ATOM 512 C LEU A 34 5.151 -4.332 5.782 1.00 0.00 C ATOM 513 O LEU A 34 5.695 -3.284 5.438 1.00 0.00 O ATOM 514 CB LEU A 34 2.679 -3.839 5.325 1.00 0.00 C ATOM 515 CG LEU A 34 2.546 -4.669 4.046 1.00 0.00 C ATOM 516 CD1 LEU A 34 1.557 -5.820 4.239 1.00 0.00 C ATOM 517 CD2 LEU A 34 2.171 -3.784 2.856 1.00 0.00 C ATOM 0 H LEU A 34 3.796 -2.512 7.385 1.00 0.00 H new ATOM 0 HA LEU A 34 3.462 -5.357 6.558 1.00 0.00 H new ATOM 0 HB2 LEU A 34 1.709 -3.814 5.821 1.00 0.00 H new ATOM 0 HB3 LEU A 34 2.920 -2.813 5.046 1.00 0.00 H new ATOM 0 HG LEU A 34 3.516 -5.113 3.824 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.481 -6.394 3.315 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.907 -6.469 5.042 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.577 -5.418 4.498 1.00 0.00 H new ATOM 0 HD21 LEU A 34 2.083 -4.398 1.960 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.219 -3.292 3.054 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.944 -3.031 2.705 1.00 0.00 H new ATOM 529 N GLU A 35 5.718 -5.528 5.714 1.00 0.00 N ATOM 530 CA GLU A 35 7.071 -5.688 5.211 1.00 0.00 C ATOM 531 C GLU A 35 7.044 -6.109 3.741 1.00 0.00 C ATOM 532 O GLU A 35 6.532 -7.177 3.407 1.00 0.00 O ATOM 533 CB GLU A 35 7.856 -6.694 6.056 1.00 0.00 C ATOM 534 CG GLU A 35 8.385 -6.041 7.334 1.00 0.00 C ATOM 535 CD GLU A 35 8.346 -7.023 8.507 1.00 0.00 C ATOM 536 OE1 GLU A 35 7.227 -7.266 9.007 1.00 0.00 O ATOM 537 OE2 GLU A 35 9.437 -7.508 8.878 1.00 0.00 O ATOM 0 H GLU A 35 5.264 -6.396 5.999 1.00 0.00 H new ATOM 0 HA GLU A 35 7.581 -4.727 5.284 1.00 0.00 H new ATOM 0 HB2 GLU A 35 7.215 -7.537 6.313 1.00 0.00 H new ATOM 0 HB3 GLU A 35 8.688 -7.091 5.475 1.00 0.00 H new ATOM 0 HG2 GLU A 35 9.408 -5.698 7.175 1.00 0.00 H new ATOM 0 HG3 GLU A 35 7.787 -5.161 7.572 1.00 0.00 H new ATOM 544 N THR A 36 7.603 -5.250 2.901 1.00 0.00 N ATOM 545 CA THR A 36 7.649 -5.520 1.474 1.00 0.00 C ATOM 546 C THR A 36 8.901 -4.896 0.854 1.00 0.00 C ATOM 547 O THR A 36 9.551 -4.055 1.472 1.00 0.00 O ATOM 548 CB THR A 36 6.346 -5.012 0.854 1.00 0.00 C ATOM 549 OG1 THR A 36 6.476 -5.322 -0.531 1.00 0.00 O ATOM 550 CG2 THR A 36 6.238 -3.486 0.886 1.00 0.00 C ATOM 0 H THR A 36 8.028 -4.366 3.182 1.00 0.00 H new ATOM 0 HA THR A 36 7.724 -6.589 1.276 1.00 0.00 H new ATOM 0 HB THR A 36 5.499 -5.447 1.384 1.00 0.00 H new ATOM 0 HG1 THR A 36 5.589 -5.489 -0.913 1.00 0.00 H new ATOM 0 HG21 THR A 36 5.295 -3.178 0.434 1.00 0.00 H new ATOM 0 HG22 THR A 36 6.275 -3.140 1.919 1.00 0.00 H new ATOM 0 HG23 THR A 36 7.067 -3.051 0.328 1.00 0.00 H new ATOM 558 N ARG A 37 9.201 -5.333 -0.360 1.00 0.00 N ATOM 559 CA ARG A 37 10.363 -4.828 -1.071 1.00 0.00 C ATOM 560 C ARG A 37 10.061 -3.456 -1.677 1.00 0.00 C ATOM 561 O ARG A 37 8.983 -2.903 -1.461 1.00 0.00 O ATOM 562 CB ARG A 37 10.787 -5.787 -2.186 1.00 0.00 C ATOM 563 CG ARG A 37 11.233 -7.133 -1.610 1.00 0.00 C ATOM 564 CD ARG A 37 12.759 -7.233 -1.568 1.00 0.00 C ATOM 565 NE ARG A 37 13.208 -8.439 -2.299 1.00 0.00 N ATOM 566 CZ ARG A 37 14.449 -8.612 -2.772 1.00 0.00 C ATOM 567 NH1 ARG A 37 15.373 -7.658 -2.594 1.00 0.00 N ATOM 568 NH2 ARG A 37 14.767 -9.739 -3.423 1.00 0.00 N ATOM 0 H ARG A 37 8.659 -6.031 -0.869 1.00 0.00 H new ATOM 0 HA ARG A 37 11.178 -4.740 -0.352 1.00 0.00 H new ATOM 0 HB2 ARG A 37 9.956 -5.939 -2.875 1.00 0.00 H new ATOM 0 HB3 ARG A 37 11.601 -5.345 -2.761 1.00 0.00 H new ATOM 0 HG2 ARG A 37 10.829 -7.254 -0.605 1.00 0.00 H new ATOM 0 HG3 ARG A 37 10.828 -7.944 -2.216 1.00 0.00 H new ATOM 0 HD2 ARG A 37 13.202 -6.342 -2.013 1.00 0.00 H new ATOM 0 HD3 ARG A 37 13.100 -7.277 -0.534 1.00 0.00 H new ATOM 0 HE ARG A 37 12.530 -9.185 -2.452 1.00 0.00 H new ATOM 0 HH11 ARG A 37 15.131 -6.800 -2.098 1.00 0.00 H new ATOM 0 HH12 ARG A 37 16.318 -7.790 -2.954 1.00 0.00 H new ATOM 0 HH21 ARG A 37 14.064 -10.465 -3.558 1.00 0.00 H new ATOM 0 HH22 ARG A 37 15.712 -9.871 -3.783 1.00 0.00 H new ATOM 582 N LEU A 38 11.030 -2.947 -2.423 1.00 0.00 N ATOM 583 CA LEU A 38 10.881 -1.650 -3.061 1.00 0.00 C ATOM 584 C LEU A 38 10.770 -1.841 -4.575 1.00 0.00 C ATOM 585 O LEU A 38 10.358 -0.930 -5.291 1.00 0.00 O ATOM 586 CB LEU A 38 12.014 -0.712 -2.641 1.00 0.00 C ATOM 587 CG LEU A 38 12.028 -0.293 -1.169 1.00 0.00 C ATOM 588 CD1 LEU A 38 13.168 0.687 -0.889 1.00 0.00 C ATOM 589 CD2 LEU A 38 10.669 0.271 -0.748 1.00 0.00 C ATOM 0 H LEU A 38 11.922 -3.409 -2.600 1.00 0.00 H new ATOM 0 HA LEU A 38 9.961 -1.167 -2.732 1.00 0.00 H new ATOM 0 HB2 LEU A 38 12.963 -1.196 -2.869 1.00 0.00 H new ATOM 0 HB3 LEU A 38 11.960 0.188 -3.254 1.00 0.00 H new ATOM 0 HG LEU A 38 12.211 -1.180 -0.562 1.00 0.00 H new ATOM 0 HD11 LEU A 38 13.155 0.969 0.164 1.00 0.00 H new ATOM 0 HD12 LEU A 38 14.121 0.214 -1.127 1.00 0.00 H new ATOM 0 HD13 LEU A 38 13.042 1.578 -1.504 1.00 0.00 H new ATOM 0 HD21 LEU A 38 10.705 0.561 0.302 1.00 0.00 H new ATOM 0 HD22 LEU A 38 10.432 1.143 -1.358 1.00 0.00 H new ATOM 0 HD23 LEU A 38 9.900 -0.489 -0.888 1.00 0.00 H new ATOM 601 N HIS A 39 11.145 -3.032 -5.018 1.00 0.00 N ATOM 602 CA HIS A 39 11.093 -3.354 -6.434 1.00 0.00 C ATOM 603 C HIS A 39 9.645 -3.626 -6.845 1.00 0.00 C ATOM 604 O HIS A 39 9.320 -3.612 -8.031 1.00 0.00 O ATOM 605 CB HIS A 39 12.031 -4.518 -6.761 1.00 0.00 C ATOM 606 CG HIS A 39 11.530 -5.862 -6.287 1.00 0.00 C ATOM 607 ND1 HIS A 39 12.088 -6.534 -5.213 1.00 0.00 N ATOM 608 CD2 HIS A 39 10.519 -6.651 -6.752 1.00 0.00 C ATOM 609 CE1 HIS A 39 11.434 -7.674 -5.048 1.00 0.00 C ATOM 610 NE2 HIS A 39 10.463 -7.745 -6.004 1.00 0.00 N ATOM 0 H HIS A 39 11.486 -3.786 -4.421 1.00 0.00 H new ATOM 0 HA HIS A 39 11.446 -2.504 -7.018 1.00 0.00 H new ATOM 0 HB2 HIS A 39 12.182 -4.558 -7.840 1.00 0.00 H new ATOM 0 HB3 HIS A 39 13.004 -4.325 -6.310 1.00 0.00 H new ATOM 0 HD2 HIS A 39 9.874 -6.423 -7.588 1.00 0.00 H new ATOM 0 HE1 HIS A 39 11.634 -8.417 -4.290 1.00 0.00 H new ATOM 0 HE2 HIS A 39 9.803 -8.513 -6.124 1.00 0.00 H new ATOM 618 N ILE A 40 8.814 -3.867 -5.842 1.00 0.00 N ATOM 619 CA ILE A 40 7.408 -4.142 -6.085 1.00 0.00 C ATOM 620 C ILE A 40 6.719 -2.864 -6.571 1.00 0.00 C ATOM 621 O ILE A 40 6.945 -1.787 -6.023 1.00 0.00 O ATOM 622 CB ILE A 40 6.759 -4.754 -4.842 1.00 0.00 C ATOM 623 CG1 ILE A 40 6.701 -3.741 -3.697 1.00 0.00 C ATOM 624 CG2 ILE A 40 7.473 -6.044 -4.430 1.00 0.00 C ATOM 625 CD1 ILE A 40 5.272 -3.592 -3.169 1.00 0.00 C ATOM 0 H ILE A 40 9.087 -3.878 -4.859 1.00 0.00 H new ATOM 0 HA ILE A 40 7.297 -4.886 -6.874 1.00 0.00 H new ATOM 0 HB ILE A 40 5.731 -5.019 -5.089 1.00 0.00 H new ATOM 0 HG12 ILE A 40 7.359 -4.061 -2.890 1.00 0.00 H new ATOM 0 HG13 ILE A 40 7.068 -2.774 -4.043 1.00 0.00 H new ATOM 0 HG21 ILE A 40 6.992 -6.459 -3.544 1.00 0.00 H new ATOM 0 HG22 ILE A 40 7.418 -6.766 -5.244 1.00 0.00 H new ATOM 0 HG23 ILE A 40 8.518 -5.827 -4.208 1.00 0.00 H new ATOM 0 HD11 ILE A 40 5.258 -2.866 -2.356 1.00 0.00 H new ATOM 0 HD12 ILE A 40 4.621 -3.248 -3.973 1.00 0.00 H new ATOM 0 HD13 ILE A 40 4.918 -4.555 -2.802 1.00 0.00 H new ATOM 637 N THR A 41 5.894 -3.028 -7.595 1.00 0.00 N ATOM 638 CA THR A 41 5.172 -1.902 -8.161 1.00 0.00 C ATOM 639 C THR A 41 4.057 -1.452 -7.214 1.00 0.00 C ATOM 640 O THR A 41 3.406 -2.280 -6.579 1.00 0.00 O ATOM 641 CB THR A 41 4.665 -2.312 -9.544 1.00 0.00 C ATOM 642 OG1 THR A 41 5.790 -2.938 -10.155 1.00 0.00 O ATOM 643 CG2 THR A 41 4.375 -1.108 -10.443 1.00 0.00 C ATOM 0 H THR A 41 5.710 -3.924 -8.047 1.00 0.00 H new ATOM 0 HA THR A 41 5.823 -1.036 -8.281 1.00 0.00 H new ATOM 0 HB THR A 41 3.760 -2.910 -9.436 1.00 0.00 H new ATOM 0 HG1 THR A 41 5.549 -3.237 -11.057 1.00 0.00 H new ATOM 0 HG21 THR A 41 4.018 -1.455 -11.413 1.00 0.00 H new ATOM 0 HG22 THR A 41 3.613 -0.482 -9.979 1.00 0.00 H new ATOM 0 HG23 THR A 41 5.287 -0.527 -10.579 1.00 0.00 H new ATOM 651 N GLY A 42 3.872 -0.142 -7.148 1.00 0.00 N ATOM 652 CA GLY A 42 2.848 0.427 -6.289 1.00 0.00 C ATOM 653 C GLY A 42 1.539 -0.357 -6.403 1.00 0.00 C ATOM 654 O GLY A 42 0.809 -0.499 -5.423 1.00 0.00 O ATOM 0 H GLY A 42 4.414 0.542 -7.676 1.00 0.00 H new ATOM 0 HA2 GLY A 42 3.191 0.420 -5.254 1.00 0.00 H new ATOM 0 HA3 GLY A 42 2.677 1.468 -6.561 1.00 0.00 H new ATOM 658 N ARG A 43 1.282 -0.845 -7.607 1.00 0.00 N ATOM 659 CA ARG A 43 0.074 -1.612 -7.862 1.00 0.00 C ATOM 660 C ARG A 43 0.049 -2.869 -6.991 1.00 0.00 C ATOM 661 O ARG A 43 -1.003 -3.260 -6.489 1.00 0.00 O ATOM 662 CB ARG A 43 -0.021 -2.017 -9.334 1.00 0.00 C ATOM 663 CG ARG A 43 -1.442 -2.458 -9.691 1.00 0.00 C ATOM 664 CD ARG A 43 -1.767 -2.133 -11.151 1.00 0.00 C ATOM 665 NE ARG A 43 -2.568 -0.891 -11.226 1.00 0.00 N ATOM 666 CZ ARG A 43 -3.013 -0.352 -12.369 1.00 0.00 C ATOM 667 NH1 ARG A 43 -2.737 -0.943 -13.540 1.00 0.00 N ATOM 668 NH2 ARG A 43 -3.733 0.777 -12.342 1.00 0.00 N ATOM 0 H ARG A 43 1.890 -0.724 -8.417 1.00 0.00 H new ATOM 0 HA ARG A 43 -0.778 -0.979 -7.616 1.00 0.00 H new ATOM 0 HB2 ARG A 43 0.273 -1.178 -9.965 1.00 0.00 H new ATOM 0 HB3 ARG A 43 0.677 -2.829 -9.537 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -1.547 -3.530 -9.521 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -2.157 -1.960 -9.036 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -0.845 -2.016 -11.720 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -2.317 -2.959 -11.602 1.00 0.00 H new ATOM 0 HE ARG A 43 -2.796 -0.415 -10.353 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -2.188 -1.803 -13.561 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -3.076 -0.533 -14.410 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -3.943 1.227 -11.451 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -4.072 1.187 -13.212 1.00 0.00 H new ATOM 682 N GLU A 44 1.222 -3.467 -6.838 1.00 0.00 N ATOM 683 CA GLU A 44 1.348 -4.673 -6.036 1.00 0.00 C ATOM 684 C GLU A 44 0.999 -4.378 -4.576 1.00 0.00 C ATOM 685 O GLU A 44 0.411 -5.215 -3.893 1.00 0.00 O ATOM 686 CB GLU A 44 2.753 -5.266 -6.155 1.00 0.00 C ATOM 687 CG GLU A 44 2.958 -5.921 -7.523 1.00 0.00 C ATOM 688 CD GLU A 44 2.883 -7.446 -7.417 1.00 0.00 C ATOM 689 OE1 GLU A 44 3.761 -8.011 -6.730 1.00 0.00 O ATOM 690 OE2 GLU A 44 1.948 -8.011 -8.025 1.00 0.00 O ATOM 0 H GLU A 44 2.093 -3.139 -7.255 1.00 0.00 H new ATOM 0 HA GLU A 44 0.644 -5.414 -6.415 1.00 0.00 H new ATOM 0 HB2 GLU A 44 3.496 -4.482 -6.008 1.00 0.00 H new ATOM 0 HB3 GLU A 44 2.908 -6.004 -5.368 1.00 0.00 H new ATOM 0 HG2 GLU A 44 2.199 -5.563 -8.219 1.00 0.00 H new ATOM 0 HG3 GLU A 44 3.926 -5.628 -7.929 1.00 0.00 H new ATOM 697 N LEU A 45 1.376 -3.185 -4.140 1.00 0.00 N ATOM 698 CA LEU A 45 1.111 -2.769 -2.774 1.00 0.00 C ATOM 699 C LEU A 45 -0.398 -2.793 -2.522 1.00 0.00 C ATOM 700 O LEU A 45 -0.875 -3.524 -1.655 1.00 0.00 O ATOM 701 CB LEU A 45 1.760 -1.412 -2.491 1.00 0.00 C ATOM 702 CG LEU A 45 1.245 -0.667 -1.258 1.00 0.00 C ATOM 703 CD1 LEU A 45 1.629 -1.403 0.028 1.00 0.00 C ATOM 704 CD2 LEU A 45 1.729 0.785 -1.253 1.00 0.00 C ATOM 0 H LEU A 45 1.863 -2.493 -4.709 1.00 0.00 H new ATOM 0 HA LEU A 45 1.564 -3.466 -2.069 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.834 -1.561 -2.379 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.616 -0.774 -3.363 1.00 0.00 H new ATOM 0 HG LEU A 45 0.156 -0.644 -1.303 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.251 -0.852 0.889 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.196 -2.403 0.018 1.00 0.00 H new ATOM 0 HD13 LEU A 45 2.714 -1.478 0.094 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.349 1.292 -0.366 1.00 0.00 H new ATOM 0 HD22 LEU A 45 2.819 0.805 -1.244 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.364 1.293 -2.146 1.00 0.00 H new ATOM 716 N ARG A 46 -1.108 -1.984 -3.295 1.00 0.00 N ATOM 717 CA ARG A 46 -2.553 -1.903 -3.167 1.00 0.00 C ATOM 718 C ARG A 46 -3.153 -3.305 -3.036 1.00 0.00 C ATOM 719 O ARG A 46 -4.086 -3.514 -2.261 1.00 0.00 O ATOM 720 CB ARG A 46 -3.175 -1.201 -4.375 1.00 0.00 C ATOM 721 CG ARG A 46 -4.210 -0.163 -3.934 1.00 0.00 C ATOM 722 CD ARG A 46 -5.520 -0.333 -4.705 1.00 0.00 C ATOM 723 NE ARG A 46 -5.839 0.910 -5.441 1.00 0.00 N ATOM 724 CZ ARG A 46 -6.899 1.054 -6.248 1.00 0.00 C ATOM 725 NH1 ARG A 46 -7.749 0.034 -6.427 1.00 0.00 N ATOM 726 NH2 ARG A 46 -7.109 2.219 -6.876 1.00 0.00 N ATOM 0 H ARG A 46 -0.709 -1.379 -4.012 1.00 0.00 H new ATOM 0 HA ARG A 46 -2.774 -1.323 -2.271 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -2.394 -0.715 -4.960 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -3.648 -1.938 -5.025 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -4.398 -0.263 -2.865 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -3.816 0.840 -4.096 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -5.436 -1.167 -5.402 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -6.329 -0.575 -4.015 1.00 0.00 H new ATOM 0 HE ARG A 46 -5.213 1.707 -5.327 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -7.589 -0.853 -5.949 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -8.556 0.144 -7.041 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -6.462 2.996 -6.740 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -7.916 2.329 -7.490 1.00 0.00 H new ATOM 740 N SER A 47 -2.594 -4.227 -3.805 1.00 0.00 N ATOM 741 CA SER A 47 -3.063 -5.603 -3.784 1.00 0.00 C ATOM 742 C SER A 47 -2.510 -6.325 -2.554 1.00 0.00 C ATOM 743 O SER A 47 -3.184 -7.175 -1.974 1.00 0.00 O ATOM 744 CB SER A 47 -2.657 -6.342 -5.061 1.00 0.00 C ATOM 745 OG SER A 47 -3.221 -7.649 -5.123 1.00 0.00 O ATOM 0 H SER A 47 -1.821 -4.049 -4.446 1.00 0.00 H new ATOM 0 HA SER A 47 -4.152 -5.593 -3.733 1.00 0.00 H new ATOM 0 HB2 SER A 47 -2.977 -5.767 -5.930 1.00 0.00 H new ATOM 0 HB3 SER A 47 -1.570 -6.413 -5.109 1.00 0.00 H new ATOM 0 HG SER A 47 -2.940 -8.088 -5.953 1.00 0.00 H new ATOM 751 N LYS A 48 -1.288 -5.962 -2.193 1.00 0.00 N ATOM 752 CA LYS A 48 -0.637 -6.565 -1.042 1.00 0.00 C ATOM 753 C LYS A 48 -1.467 -6.286 0.212 1.00 0.00 C ATOM 754 O LYS A 48 -2.076 -7.196 0.773 1.00 0.00 O ATOM 755 CB LYS A 48 0.814 -6.090 -0.938 1.00 0.00 C ATOM 756 CG LYS A 48 1.705 -7.179 -0.337 1.00 0.00 C ATOM 757 CD LYS A 48 2.173 -6.792 1.067 1.00 0.00 C ATOM 758 CE LYS A 48 3.034 -7.897 1.682 1.00 0.00 C ATOM 759 NZ LYS A 48 4.224 -8.155 0.841 1.00 0.00 N ATOM 0 H LYS A 48 -0.731 -5.258 -2.677 1.00 0.00 H new ATOM 0 HA LYS A 48 -0.586 -7.648 -1.156 1.00 0.00 H new ATOM 0 HB2 LYS A 48 1.183 -5.818 -1.927 1.00 0.00 H new ATOM 0 HB3 LYS A 48 0.864 -5.193 -0.321 1.00 0.00 H new ATOM 0 HG2 LYS A 48 1.157 -8.120 -0.295 1.00 0.00 H new ATOM 0 HG3 LYS A 48 2.570 -7.342 -0.980 1.00 0.00 H new ATOM 0 HD2 LYS A 48 2.744 -5.864 1.021 1.00 0.00 H new ATOM 0 HD3 LYS A 48 1.308 -6.603 1.703 1.00 0.00 H new ATOM 0 HE2 LYS A 48 3.346 -7.607 2.685 1.00 0.00 H new ATOM 0 HE3 LYS A 48 2.447 -8.810 1.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 4.932 -8.681 1.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 3.947 -8.716 0.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 4.631 -7.250 0.528 1.00 0.00 H new ATOM 773 N ILE A 49 -1.464 -5.024 0.617 1.00 0.00 N ATOM 774 CA ILE A 49 -2.210 -4.614 1.795 1.00 0.00 C ATOM 775 C ILE A 49 -3.556 -5.340 1.819 1.00 0.00 C ATOM 776 O ILE A 49 -3.889 -6.005 2.798 1.00 0.00 O ATOM 777 CB ILE A 49 -2.331 -3.090 1.848 1.00 0.00 C ATOM 778 CG1 ILE A 49 -0.979 -2.442 2.152 1.00 0.00 C ATOM 779 CG2 ILE A 49 -3.410 -2.661 2.845 1.00 0.00 C ATOM 780 CD1 ILE A 49 -1.024 -0.934 1.901 1.00 0.00 C ATOM 0 H ILE A 49 -0.957 -4.272 0.150 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.678 -4.900 2.702 1.00 0.00 H new ATOM 0 HB ILE A 49 -2.642 -2.737 0.865 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -0.705 -2.633 3.190 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -0.207 -2.895 1.530 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -3.476 -1.573 2.864 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -4.371 -3.078 2.543 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -3.153 -3.026 3.839 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -0.050 -0.499 2.125 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -1.274 -0.746 0.857 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -1.780 -0.481 2.542 1.00 0.00 H new ATOM 792 N ALA A 50 -4.295 -5.187 0.729 1.00 0.00 N ATOM 793 CA ALA A 50 -5.598 -5.819 0.613 1.00 0.00 C ATOM 794 C ALA A 50 -5.499 -7.272 1.084 1.00 0.00 C ATOM 795 O ALA A 50 -6.021 -7.622 2.141 1.00 0.00 O ATOM 796 CB ALA A 50 -6.094 -5.706 -0.830 1.00 0.00 C ATOM 0 H ALA A 50 -4.016 -4.634 -0.081 1.00 0.00 H new ATOM 0 HA ALA A 50 -6.327 -5.315 1.248 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -7.072 -6.180 -0.917 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -6.175 -4.655 -1.106 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -5.389 -6.203 -1.497 1.00 0.00 H new ATOM 802 N GLU A 51 -4.824 -8.077 0.276 1.00 0.00 N ATOM 803 CA GLU A 51 -4.650 -9.484 0.597 1.00 0.00 C ATOM 804 C GLU A 51 -4.119 -9.641 2.023 1.00 0.00 C ATOM 805 O GLU A 51 -4.587 -10.496 2.773 1.00 0.00 O ATOM 806 CB GLU A 51 -3.723 -10.165 -0.412 1.00 0.00 C ATOM 807 CG GLU A 51 -4.107 -11.634 -0.604 1.00 0.00 C ATOM 808 CD GLU A 51 -2.945 -12.557 -0.231 1.00 0.00 C ATOM 809 OE1 GLU A 51 -2.560 -12.533 0.958 1.00 0.00 O ATOM 810 OE2 GLU A 51 -2.469 -13.266 -1.144 1.00 0.00 O ATOM 0 H GLU A 51 -4.391 -7.782 -0.599 1.00 0.00 H new ATOM 0 HA GLU A 51 -5.622 -9.974 0.536 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -3.774 -9.644 -1.368 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -2.691 -10.097 -0.067 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -4.976 -11.870 0.011 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -4.394 -11.806 -1.641 1.00 0.00 H new ATOM 817 N THR A 52 -3.148 -8.803 2.355 1.00 0.00 N ATOM 818 CA THR A 52 -2.548 -8.838 3.678 1.00 0.00 C ATOM 819 C THR A 52 -3.630 -8.760 4.756 1.00 0.00 C ATOM 820 O THR A 52 -3.787 -9.686 5.552 1.00 0.00 O ATOM 821 CB THR A 52 -1.523 -7.705 3.762 1.00 0.00 C ATOM 822 OG1 THR A 52 -0.356 -8.247 3.151 1.00 0.00 O ATOM 823 CG2 THR A 52 -1.090 -7.414 5.201 1.00 0.00 C ATOM 0 H THR A 52 -2.762 -8.095 1.730 1.00 0.00 H new ATOM 0 HA THR A 52 -2.028 -9.780 3.852 1.00 0.00 H new ATOM 0 HB THR A 52 -1.943 -6.802 3.319 1.00 0.00 H new ATOM 0 HG1 THR A 52 -0.418 -8.143 2.178 1.00 0.00 H new ATOM 0 HG21 THR A 52 -0.362 -6.602 5.205 1.00 0.00 H new ATOM 0 HG22 THR A 52 -1.960 -7.125 5.791 1.00 0.00 H new ATOM 0 HG23 THR A 52 -0.639 -8.307 5.633 1.00 0.00 H new ATOM 831 N PHE A 53 -4.350 -7.648 4.749 1.00 0.00 N ATOM 832 CA PHE A 53 -5.413 -7.437 5.717 1.00 0.00 C ATOM 833 C PHE A 53 -6.722 -8.069 5.239 1.00 0.00 C ATOM 834 O PHE A 53 -7.787 -7.789 5.788 1.00 0.00 O ATOM 835 CB PHE A 53 -5.607 -5.925 5.846 1.00 0.00 C ATOM 836 CG PHE A 53 -4.431 -5.201 6.505 1.00 0.00 C ATOM 837 CD1 PHE A 53 -3.371 -4.801 5.752 1.00 0.00 C ATOM 838 CD2 PHE A 53 -4.446 -4.957 7.842 1.00 0.00 C ATOM 839 CE1 PHE A 53 -2.280 -4.129 6.364 1.00 0.00 C ATOM 840 CE2 PHE A 53 -3.355 -4.285 8.454 1.00 0.00 C ATOM 841 CZ PHE A 53 -2.295 -3.885 7.702 1.00 0.00 C ATOM 0 H PHE A 53 -4.218 -6.883 4.088 1.00 0.00 H new ATOM 0 HA PHE A 53 -5.146 -7.895 6.669 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -5.770 -5.504 4.854 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -6.510 -5.733 6.426 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -3.359 -4.994 4.690 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -5.288 -5.274 8.439 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -1.438 -3.812 5.767 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -3.367 -4.092 9.516 1.00 0.00 H new ATOM 0 HZ PHE A 53 -1.465 -3.374 8.167 1.00 0.00 H new ATOM 851 N GLY A 54 -6.600 -8.909 4.222 1.00 0.00 N ATOM 852 CA GLY A 54 -7.761 -9.582 3.664 1.00 0.00 C ATOM 853 C GLY A 54 -8.860 -8.578 3.311 1.00 0.00 C ATOM 854 O GLY A 54 -10.034 -8.814 3.593 1.00 0.00 O ATOM 0 H GLY A 54 -5.715 -9.139 3.770 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -7.470 -10.137 2.772 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -8.144 -10.309 4.381 1.00 0.00 H new ATOM 858 N LEU A 55 -8.440 -7.480 2.700 1.00 0.00 N ATOM 859 CA LEU A 55 -9.375 -6.440 2.306 1.00 0.00 C ATOM 860 C LEU A 55 -9.602 -6.510 0.794 1.00 0.00 C ATOM 861 O LEU A 55 -9.049 -7.377 0.120 1.00 0.00 O ATOM 862 CB LEU A 55 -8.890 -5.072 2.792 1.00 0.00 C ATOM 863 CG LEU A 55 -8.788 -4.897 4.308 1.00 0.00 C ATOM 864 CD1 LEU A 55 -7.801 -3.785 4.667 1.00 0.00 C ATOM 865 CD2 LEU A 55 -10.168 -4.660 4.927 1.00 0.00 C ATOM 0 H LEU A 55 -7.465 -7.288 2.468 1.00 0.00 H new ATOM 0 HA LEU A 55 -10.343 -6.598 2.782 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -7.909 -4.881 2.357 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -9.565 -4.310 2.403 1.00 0.00 H new ATOM 0 HG LEU A 55 -8.399 -5.822 4.733 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -7.748 -3.682 5.751 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -6.814 -4.035 4.277 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -8.137 -2.845 4.229 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -10.067 -4.539 6.006 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -10.608 -3.759 4.500 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -10.813 -5.513 4.717 1.00 0.00 H new ATOM 877 N GLN A 56 -10.416 -5.585 0.307 1.00 0.00 N ATOM 878 CA GLN A 56 -10.723 -5.532 -1.112 1.00 0.00 C ATOM 879 C GLN A 56 -9.880 -4.454 -1.797 1.00 0.00 C ATOM 880 O GLN A 56 -10.156 -3.264 -1.657 1.00 0.00 O ATOM 881 CB GLN A 56 -12.216 -5.288 -1.341 1.00 0.00 C ATOM 882 CG GLN A 56 -13.001 -6.600 -1.285 1.00 0.00 C ATOM 883 CD GLN A 56 -13.088 -7.126 0.149 1.00 0.00 C ATOM 884 OE1 GLN A 56 -13.760 -6.570 1.002 1.00 0.00 O ATOM 885 NE2 GLN A 56 -12.372 -8.226 0.366 1.00 0.00 N ATOM 0 H GLN A 56 -10.872 -4.867 0.870 1.00 0.00 H new ATOM 0 HA GLN A 56 -10.474 -6.497 -1.554 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -12.596 -4.600 -0.585 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -12.366 -4.811 -2.310 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -14.005 -6.445 -1.681 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -12.520 -7.343 -1.920 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -11.831 -8.641 -0.393 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -12.364 -8.655 1.291 1.00 0.00 H new ATOM 894 N GLU A 57 -8.870 -4.911 -2.523 1.00 0.00 N ATOM 895 CA GLU A 57 -7.986 -4.000 -3.230 1.00 0.00 C ATOM 896 C GLU A 57 -8.778 -3.165 -4.238 1.00 0.00 C ATOM 897 O GLU A 57 -8.357 -2.071 -4.611 1.00 0.00 O ATOM 898 CB GLU A 57 -6.853 -4.763 -3.921 1.00 0.00 C ATOM 899 CG GLU A 57 -7.403 -5.907 -4.775 1.00 0.00 C ATOM 900 CD GLU A 57 -6.924 -5.789 -6.223 1.00 0.00 C ATOM 901 OE1 GLU A 57 -5.842 -5.195 -6.417 1.00 0.00 O ATOM 902 OE2 GLU A 57 -7.652 -6.295 -7.104 1.00 0.00 O ATOM 0 H GLU A 57 -8.644 -5.899 -2.637 1.00 0.00 H new ATOM 0 HA GLU A 57 -7.536 -3.324 -2.503 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -6.279 -4.080 -4.548 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -6.168 -5.160 -3.172 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -7.083 -6.862 -4.359 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -8.493 -5.896 -4.746 1.00 0.00 H new ATOM 909 N ASN A 58 -9.912 -3.712 -4.649 1.00 0.00 N ATOM 910 CA ASN A 58 -10.768 -3.031 -5.606 1.00 0.00 C ATOM 911 C ASN A 58 -11.690 -2.064 -4.861 1.00 0.00 C ATOM 912 O ASN A 58 -12.542 -1.419 -5.471 1.00 0.00 O ATOM 913 CB ASN A 58 -11.644 -4.028 -6.369 1.00 0.00 C ATOM 914 CG ASN A 58 -10.794 -5.126 -7.010 1.00 0.00 C ATOM 915 OD1 ASN A 58 -9.933 -4.878 -7.838 1.00 0.00 O ATOM 916 ND2 ASN A 58 -11.082 -6.352 -6.582 1.00 0.00 N ATOM 0 H ASN A 58 -10.258 -4.619 -4.337 1.00 0.00 H new ATOM 0 HA ASN A 58 -10.129 -2.499 -6.311 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -12.369 -4.475 -5.689 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -12.210 -3.505 -7.140 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -10.570 -7.154 -6.949 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -11.815 -6.490 -5.887 1.00 0.00 H new ATOM 923 N TYR A 59 -11.489 -1.994 -3.554 1.00 0.00 N ATOM 924 CA TYR A 59 -12.293 -1.117 -2.719 1.00 0.00 C ATOM 925 C TYR A 59 -11.425 -0.404 -1.679 1.00 0.00 C ATOM 926 O TYR A 59 -11.889 -0.103 -0.581 1.00 0.00 O ATOM 927 CB TYR A 59 -13.294 -2.021 -1.998 1.00 0.00 C ATOM 928 CG TYR A 59 -14.389 -2.585 -2.905 1.00 0.00 C ATOM 929 CD1 TYR A 59 -14.936 -1.798 -3.898 1.00 0.00 C ATOM 930 CD2 TYR A 59 -14.830 -3.881 -2.730 1.00 0.00 C ATOM 931 CE1 TYR A 59 -15.967 -2.329 -4.752 1.00 0.00 C ATOM 932 CE2 TYR A 59 -15.861 -4.412 -3.584 1.00 0.00 C ATOM 933 CZ TYR A 59 -16.378 -3.610 -4.552 1.00 0.00 C ATOM 934 OH TYR A 59 -17.352 -4.111 -5.359 1.00 0.00 O ATOM 0 H TYR A 59 -10.781 -2.530 -3.052 1.00 0.00 H new ATOM 0 HA TYR A 59 -12.781 -0.353 -3.324 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -12.755 -2.849 -1.539 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -13.760 -1.457 -1.190 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -14.591 -0.784 -4.035 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -14.402 -4.497 -1.953 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -16.404 -1.724 -5.533 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -16.215 -5.424 -3.458 1.00 0.00 H new ATOM 0 HH TYR A 59 -17.545 -5.037 -5.103 1.00 0.00 H new ATOM 944 N ILE A 60 -10.182 -0.155 -2.063 1.00 0.00 N ATOM 945 CA ILE A 60 -9.246 0.517 -1.178 1.00 0.00 C ATOM 946 C ILE A 60 -8.167 1.209 -2.013 1.00 0.00 C ATOM 947 O ILE A 60 -7.908 0.814 -3.149 1.00 0.00 O ATOM 948 CB ILE A 60 -8.688 -0.464 -0.144 1.00 0.00 C ATOM 949 CG1 ILE A 60 -7.782 -1.503 -0.807 1.00 0.00 C ATOM 950 CG2 ILE A 60 -9.817 -1.116 0.658 1.00 0.00 C ATOM 951 CD1 ILE A 60 -6.456 -1.634 -0.055 1.00 0.00 C ATOM 0 H ILE A 60 -9.801 -0.407 -2.975 1.00 0.00 H new ATOM 0 HA ILE A 60 -9.754 1.294 -0.606 1.00 0.00 H new ATOM 0 HB ILE A 60 -8.073 0.096 0.561 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -8.287 -2.469 -0.831 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -7.591 -1.217 -1.841 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -9.394 -1.808 1.386 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -10.385 -0.345 1.179 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -10.477 -1.659 -0.018 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -5.831 -2.379 -0.547 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -5.942 -0.673 -0.053 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -6.649 -1.944 0.972 1.00 0.00 H new ATOM 963 N LYS A 61 -7.568 2.230 -1.419 1.00 0.00 N ATOM 964 CA LYS A 61 -6.523 2.981 -2.094 1.00 0.00 C ATOM 965 C LYS A 61 -5.526 3.504 -1.058 1.00 0.00 C ATOM 966 O LYS A 61 -5.923 3.990 0.000 1.00 0.00 O ATOM 967 CB LYS A 61 -7.133 4.078 -2.970 1.00 0.00 C ATOM 968 CG LYS A 61 -7.247 5.395 -2.199 1.00 0.00 C ATOM 969 CD LYS A 61 -7.792 6.509 -3.095 1.00 0.00 C ATOM 970 CE LYS A 61 -8.535 7.562 -2.270 1.00 0.00 C ATOM 971 NZ LYS A 61 -8.565 8.856 -2.987 1.00 0.00 N ATOM 0 H LYS A 61 -7.786 2.555 -0.477 1.00 0.00 H new ATOM 0 HA LYS A 61 -5.967 2.335 -2.773 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -6.517 4.224 -3.858 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -8.119 3.767 -3.314 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -7.903 5.261 -1.339 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -6.269 5.680 -1.812 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -6.971 6.979 -3.637 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -8.465 6.085 -3.840 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -9.553 7.226 -2.072 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -8.047 7.686 -1.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -9.073 9.559 -2.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -7.592 9.183 -3.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -9.051 8.737 -3.898 1.00 0.00 H new ATOM 985 N ILE A 62 -4.251 3.387 -1.400 1.00 0.00 N ATOM 986 CA ILE A 62 -3.194 3.842 -0.512 1.00 0.00 C ATOM 987 C ILE A 62 -3.013 5.353 -0.674 1.00 0.00 C ATOM 988 O ILE A 62 -3.282 5.903 -1.741 1.00 0.00 O ATOM 989 CB ILE A 62 -1.913 3.040 -0.750 1.00 0.00 C ATOM 990 CG1 ILE A 62 -2.009 1.652 -0.113 1.00 0.00 C ATOM 991 CG2 ILE A 62 -0.685 3.811 -0.261 1.00 0.00 C ATOM 992 CD1 ILE A 62 -3.077 0.804 -0.807 1.00 0.00 C ATOM 0 H ILE A 62 -3.926 2.984 -2.279 1.00 0.00 H new ATOM 0 HA ILE A 62 -3.466 3.663 0.528 1.00 0.00 H new ATOM 0 HB ILE A 62 -1.796 2.894 -1.824 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -1.043 1.151 -0.177 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -2.248 1.749 0.946 1.00 0.00 H new ATOM 0 HG21 ILE A 62 0.212 3.219 -0.442 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -0.611 4.756 -0.799 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -0.781 4.008 0.807 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -3.125 -0.178 -0.336 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -4.046 1.296 -0.720 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -2.822 0.688 -1.860 1.00 0.00 H new ATOM 1004 N VAL A 63 -2.558 5.981 0.400 1.00 0.00 N ATOM 1005 CA VAL A 63 -2.338 7.417 0.390 1.00 0.00 C ATOM 1006 C VAL A 63 -1.039 7.734 1.133 1.00 0.00 C ATOM 1007 O VAL A 63 -0.777 7.178 2.199 1.00 0.00 O ATOM 1008 CB VAL A 63 -3.554 8.137 0.977 1.00 0.00 C ATOM 1009 CG1 VAL A 63 -3.191 9.557 1.416 1.00 0.00 C ATOM 1010 CG2 VAL A 63 -4.716 8.150 -0.018 1.00 0.00 C ATOM 0 H VAL A 63 -2.336 5.522 1.283 1.00 0.00 H new ATOM 0 HA VAL A 63 -2.225 7.779 -0.632 1.00 0.00 H new ATOM 0 HB VAL A 63 -3.876 7.586 1.860 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -4.073 10.047 1.829 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -2.410 9.515 2.175 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -2.831 10.123 0.557 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -5.568 8.668 0.424 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -4.410 8.666 -0.928 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -5.000 7.126 -0.260 1.00 0.00 H new ATOM 1020 N ILE A 64 -0.260 8.628 0.542 1.00 0.00 N ATOM 1021 CA ILE A 64 1.006 9.026 1.135 1.00 0.00 C ATOM 1022 C ILE A 64 1.306 10.478 0.758 1.00 0.00 C ATOM 1023 O ILE A 64 1.279 10.836 -0.419 1.00 0.00 O ATOM 1024 CB ILE A 64 2.114 8.047 0.741 1.00 0.00 C ATOM 1025 CG1 ILE A 64 1.831 6.648 1.294 1.00 0.00 C ATOM 1026 CG2 ILE A 64 3.485 8.568 1.174 1.00 0.00 C ATOM 1027 CD1 ILE A 64 2.932 5.666 0.890 1.00 0.00 C ATOM 0 H ILE A 64 -0.481 9.088 -0.341 1.00 0.00 H new ATOM 0 HA ILE A 64 0.947 8.984 2.223 1.00 0.00 H new ATOM 0 HB ILE A 64 2.129 7.967 -0.346 1.00 0.00 H new ATOM 0 HG12 ILE A 64 1.758 6.691 2.381 1.00 0.00 H new ATOM 0 HG13 ILE A 64 0.869 6.294 0.923 1.00 0.00 H new ATOM 0 HG21 ILE A 64 4.255 7.853 0.882 1.00 0.00 H new ATOM 0 HG22 ILE A 64 3.679 9.527 0.693 1.00 0.00 H new ATOM 0 HG23 ILE A 64 3.500 8.696 2.256 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.707 4.680 1.296 1.00 0.00 H new ATOM 0 HD12 ILE A 64 2.986 5.608 -0.197 1.00 0.00 H new ATOM 0 HD13 ILE A 64 3.889 6.010 1.283 1.00 0.00 H new ATOM 1039 N ASN A 65 1.586 11.275 1.779 1.00 0.00 N ATOM 1040 CA ASN A 65 1.891 12.680 1.569 1.00 0.00 C ATOM 1041 C ASN A 65 0.687 13.369 0.924 1.00 0.00 C ATOM 1042 O ASN A 65 0.810 13.978 -0.137 1.00 0.00 O ATOM 1043 CB ASN A 65 3.090 12.850 0.633 1.00 0.00 C ATOM 1044 CG ASN A 65 4.406 12.787 1.410 1.00 0.00 C ATOM 1045 OD1 ASN A 65 4.656 13.559 2.321 1.00 0.00 O ATOM 1046 ND2 ASN A 65 5.230 11.827 1.001 1.00 0.00 N ATOM 0 H ASN A 65 1.608 10.975 2.753 1.00 0.00 H new ATOM 0 HA ASN A 65 2.124 13.122 2.538 1.00 0.00 H new ATOM 0 HB2 ASN A 65 3.075 12.070 -0.128 1.00 0.00 H new ATOM 0 HB3 ASN A 65 3.017 13.805 0.112 1.00 0.00 H new ATOM 0 HD21 ASN A 65 6.134 11.703 1.457 1.00 0.00 H new ATOM 0 HD22 ASN A 65 4.958 11.215 0.232 1.00 0.00 H new ATOM 1053 N LYS A 66 -0.451 13.248 1.593 1.00 0.00 N ATOM 1054 CA LYS A 66 -1.677 13.852 1.098 1.00 0.00 C ATOM 1055 C LYS A 66 -1.774 13.634 -0.413 1.00 0.00 C ATOM 1056 O LYS A 66 -2.371 14.441 -1.123 1.00 0.00 O ATOM 1057 CB LYS A 66 -1.756 15.322 1.514 1.00 0.00 C ATOM 1058 CG LYS A 66 -2.336 15.463 2.923 1.00 0.00 C ATOM 1059 CD LYS A 66 -2.492 16.936 3.307 1.00 0.00 C ATOM 1060 CE LYS A 66 -3.235 17.080 4.637 1.00 0.00 C ATOM 1061 NZ LYS A 66 -4.589 17.637 4.417 1.00 0.00 N ATOM 0 H LYS A 66 -0.550 12.741 2.473 1.00 0.00 H new ATOM 0 HA LYS A 66 -2.547 13.371 1.546 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -0.762 15.767 1.480 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -2.376 15.871 0.805 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -3.305 14.966 2.973 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -1.684 14.964 3.640 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -1.509 17.402 3.383 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -3.036 17.464 2.524 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -3.310 16.108 5.125 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -2.672 17.731 5.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -5.079 17.728 5.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -4.511 18.573 3.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -5.129 17.001 3.796 1.00 0.00 H new ATOM 1075 N LYS A 67 -1.177 12.539 -0.860 1.00 0.00 N ATOM 1076 CA LYS A 67 -1.188 12.205 -2.275 1.00 0.00 C ATOM 1077 C LYS A 67 -1.645 10.755 -2.448 1.00 0.00 C ATOM 1078 O LYS A 67 -1.920 10.065 -1.467 1.00 0.00 O ATOM 1079 CB LYS A 67 0.174 12.501 -2.906 1.00 0.00 C ATOM 1080 CG LYS A 67 0.162 13.850 -3.628 1.00 0.00 C ATOM 1081 CD LYS A 67 1.215 13.887 -4.737 1.00 0.00 C ATOM 1082 CE LYS A 67 0.623 14.434 -6.037 1.00 0.00 C ATOM 1083 NZ LYS A 67 1.577 14.261 -7.155 1.00 0.00 N ATOM 0 H LYS A 67 -0.683 11.872 -0.268 1.00 0.00 H new ATOM 0 HA LYS A 67 -1.903 12.831 -2.809 1.00 0.00 H new ATOM 0 HB2 LYS A 67 0.943 12.504 -2.134 1.00 0.00 H new ATOM 0 HB3 LYS A 67 0.432 11.710 -3.610 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -0.825 14.030 -4.053 1.00 0.00 H new ATOM 0 HG3 LYS A 67 0.353 14.651 -2.913 1.00 0.00 H new ATOM 0 HD2 LYS A 67 2.054 14.509 -4.426 1.00 0.00 H new ATOM 0 HD3 LYS A 67 1.606 12.884 -4.905 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -0.310 13.918 -6.264 1.00 0.00 H new ATOM 0 HE3 LYS A 67 0.382 15.490 -5.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 1.159 14.638 -8.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 2.457 14.774 -6.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 1.787 13.250 -7.279 1.00 0.00 H new ATOM 1097 N GLN A 68 -1.711 10.335 -3.703 1.00 0.00 N ATOM 1098 CA GLN A 68 -2.130 8.980 -4.017 1.00 0.00 C ATOM 1099 C GLN A 68 -0.914 8.112 -4.348 1.00 0.00 C ATOM 1100 O GLN A 68 0.084 8.608 -4.870 1.00 0.00 O ATOM 1101 CB GLN A 68 -3.139 8.970 -5.167 1.00 0.00 C ATOM 1102 CG GLN A 68 -4.448 9.645 -4.754 1.00 0.00 C ATOM 1103 CD GLN A 68 -5.123 10.315 -5.953 1.00 0.00 C ATOM 1104 OE1 GLN A 68 -5.405 9.695 -6.965 1.00 0.00 O ATOM 1105 NE2 GLN A 68 -5.363 11.612 -5.783 1.00 0.00 N ATOM 0 H GLN A 68 -1.481 10.909 -4.514 1.00 0.00 H new ATOM 0 HA GLN A 68 -2.624 8.561 -3.140 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -2.717 9.485 -6.030 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -3.336 7.943 -5.473 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -5.121 8.906 -4.320 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -4.250 10.388 -3.982 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -5.101 12.069 -4.910 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -5.809 12.150 -6.526 1.00 0.00 H new ATOM 1114 N LEU A 69 -1.036 6.832 -4.030 1.00 0.00 N ATOM 1115 CA LEU A 69 0.040 5.890 -4.286 1.00 0.00 C ATOM 1116 C LEU A 69 0.207 5.712 -5.797 1.00 0.00 C ATOM 1117 O LEU A 69 -0.773 5.515 -6.514 1.00 0.00 O ATOM 1118 CB LEU A 69 -0.204 4.580 -3.536 1.00 0.00 C ATOM 1119 CG LEU A 69 0.448 3.332 -4.135 1.00 0.00 C ATOM 1120 CD1 LEU A 69 1.943 3.286 -3.814 1.00 0.00 C ATOM 1121 CD2 LEU A 69 -0.275 2.063 -3.680 1.00 0.00 C ATOM 0 H LEU A 69 -1.865 6.425 -3.597 1.00 0.00 H new ATOM 0 HA LEU A 69 0.984 6.277 -3.903 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.155 4.698 -2.513 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.279 4.412 -3.479 1.00 0.00 H new ATOM 0 HG LEU A 69 0.353 3.385 -5.220 1.00 0.00 H new ATOM 0 HD11 LEU A 69 2.382 2.389 -4.251 1.00 0.00 H new ATOM 0 HD12 LEU A 69 2.431 4.168 -4.228 1.00 0.00 H new ATOM 0 HD13 LEU A 69 2.083 3.268 -2.733 1.00 0.00 H new ATOM 0 HD21 LEU A 69 0.209 1.191 -4.120 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.234 1.991 -2.593 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -1.316 2.102 -4.002 1.00 0.00 H new ATOM 1133 N GLN A 70 1.455 5.787 -6.235 1.00 0.00 N ATOM 1134 CA GLN A 70 1.763 5.637 -7.647 1.00 0.00 C ATOM 1135 C GLN A 70 1.871 4.155 -8.012 1.00 0.00 C ATOM 1136 O GLN A 70 2.952 3.572 -7.942 1.00 0.00 O ATOM 1137 CB GLN A 70 3.045 6.387 -8.012 1.00 0.00 C ATOM 1138 CG GLN A 70 2.968 7.851 -7.575 1.00 0.00 C ATOM 1139 CD GLN A 70 3.179 8.790 -8.765 1.00 0.00 C ATOM 1140 OE1 GLN A 70 3.223 8.379 -9.913 1.00 0.00 O ATOM 1141 NE2 GLN A 70 3.308 10.070 -8.427 1.00 0.00 N ATOM 0 H GLN A 70 2.265 5.950 -5.637 1.00 0.00 H new ATOM 0 HA GLN A 70 0.949 6.075 -8.225 1.00 0.00 H new ATOM 0 HB2 GLN A 70 3.900 5.906 -7.536 1.00 0.00 H new ATOM 0 HB3 GLN A 70 3.208 6.333 -9.088 1.00 0.00 H new ATOM 0 HG2 GLN A 70 1.997 8.048 -7.119 1.00 0.00 H new ATOM 0 HG3 GLN A 70 3.723 8.047 -6.814 1.00 0.00 H new ATOM 0 HE21 GLN A 70 3.261 10.346 -7.446 1.00 0.00 H new ATOM 0 HE22 GLN A 70 3.454 10.776 -9.149 1.00 0.00 H new ATOM 1150 N LEU A 71 0.736 3.587 -8.393 1.00 0.00 N ATOM 1151 CA LEU A 71 0.690 2.184 -8.768 1.00 0.00 C ATOM 1152 C LEU A 71 1.477 1.982 -10.064 1.00 0.00 C ATOM 1153 O LEU A 71 1.779 0.850 -10.441 1.00 0.00 O ATOM 1154 CB LEU A 71 -0.758 1.698 -8.846 1.00 0.00 C ATOM 1155 CG LEU A 71 -1.678 2.145 -7.708 1.00 0.00 C ATOM 1156 CD1 LEU A 71 -2.973 2.749 -8.255 1.00 0.00 C ATOM 1157 CD2 LEU A 71 -1.948 0.994 -6.737 1.00 0.00 C ATOM 0 H LEU A 71 -0.159 4.073 -8.450 1.00 0.00 H new ATOM 0 HA LEU A 71 1.168 1.569 -8.005 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -1.185 2.041 -9.788 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -0.754 0.608 -8.876 1.00 0.00 H new ATOM 0 HG LEU A 71 -1.170 2.928 -7.146 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.609 3.058 -7.426 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -2.738 3.615 -8.874 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -3.496 2.005 -8.855 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.604 1.339 -5.938 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -2.426 0.172 -7.270 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -1.006 0.650 -6.310 1.00 0.00 H new ATOM 1169 N GLY A 72 1.788 3.096 -10.711 1.00 0.00 N ATOM 1170 CA GLY A 72 2.534 3.055 -11.957 1.00 0.00 C ATOM 1171 C GLY A 72 4.038 3.174 -11.700 1.00 0.00 C ATOM 1172 O GLY A 72 4.847 2.884 -12.580 1.00 0.00 O ATOM 0 H GLY A 72 1.537 4.033 -10.395 1.00 0.00 H new ATOM 0 HA2 GLY A 72 2.324 2.122 -12.480 1.00 0.00 H new ATOM 0 HA3 GLY A 72 2.207 3.866 -12.607 1.00 0.00 H new ATOM 1176 N LYS A 73 4.366 3.603 -10.490 1.00 0.00 N ATOM 1177 CA LYS A 73 5.758 3.765 -10.106 1.00 0.00 C ATOM 1178 C LYS A 73 6.066 2.847 -8.921 1.00 0.00 C ATOM 1179 O LYS A 73 5.216 2.637 -8.057 1.00 0.00 O ATOM 1180 CB LYS A 73 6.073 5.238 -9.840 1.00 0.00 C ATOM 1181 CG LYS A 73 5.422 6.136 -10.894 1.00 0.00 C ATOM 1182 CD LYS A 73 6.467 7.011 -11.590 1.00 0.00 C ATOM 1183 CE LYS A 73 5.799 8.116 -12.411 1.00 0.00 C ATOM 1184 NZ LYS A 73 6.819 8.991 -13.029 1.00 0.00 N ATOM 0 H LYS A 73 3.692 3.843 -9.763 1.00 0.00 H new ATOM 0 HA LYS A 73 6.415 3.465 -10.922 1.00 0.00 H new ATOM 0 HB2 LYS A 73 5.716 5.517 -8.849 1.00 0.00 H new ATOM 0 HB3 LYS A 73 7.152 5.389 -9.844 1.00 0.00 H new ATOM 0 HG2 LYS A 73 4.907 5.522 -11.632 1.00 0.00 H new ATOM 0 HG3 LYS A 73 4.669 6.768 -10.424 1.00 0.00 H new ATOM 0 HD2 LYS A 73 7.128 7.455 -10.846 1.00 0.00 H new ATOM 0 HD3 LYS A 73 7.088 6.395 -12.240 1.00 0.00 H new ATOM 0 HE2 LYS A 73 5.173 7.674 -13.186 1.00 0.00 H new ATOM 0 HE3 LYS A 73 5.144 8.707 -11.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 6.349 9.735 -13.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 7.399 9.428 -12.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 7.427 8.426 -13.655 1.00 0.00 H new ATOM 1198 N THR A 74 7.284 2.325 -8.919 1.00 0.00 N ATOM 1199 CA THR A 74 7.714 1.434 -7.854 1.00 0.00 C ATOM 1200 C THR A 74 7.867 2.207 -6.542 1.00 0.00 C ATOM 1201 O THR A 74 8.144 3.405 -6.552 1.00 0.00 O ATOM 1202 CB THR A 74 9.002 0.744 -8.307 1.00 0.00 C ATOM 1203 OG1 THR A 74 9.961 1.796 -8.357 1.00 0.00 O ATOM 1204 CG2 THR A 74 8.922 0.244 -9.751 1.00 0.00 C ATOM 0 H THR A 74 7.986 2.502 -9.637 1.00 0.00 H new ATOM 0 HA THR A 74 6.968 0.664 -7.656 1.00 0.00 H new ATOM 0 HB THR A 74 9.217 -0.094 -7.644 1.00 0.00 H new ATOM 0 HG1 THR A 74 10.795 1.460 -8.746 1.00 0.00 H new ATOM 0 HG21 THR A 74 9.862 -0.237 -10.022 1.00 0.00 H new ATOM 0 HG22 THR A 74 8.107 -0.474 -9.843 1.00 0.00 H new ATOM 0 HG23 THR A 74 8.740 1.087 -10.418 1.00 0.00 H new ATOM 1212 N LEU A 75 7.681 1.488 -5.444 1.00 0.00 N ATOM 1213 CA LEU A 75 7.795 2.091 -4.127 1.00 0.00 C ATOM 1214 C LEU A 75 9.029 2.995 -4.090 1.00 0.00 C ATOM 1215 O LEU A 75 9.005 4.059 -3.473 1.00 0.00 O ATOM 1216 CB LEU A 75 7.790 1.012 -3.042 1.00 0.00 C ATOM 1217 CG LEU A 75 6.722 -0.074 -3.181 1.00 0.00 C ATOM 1218 CD1 LEU A 75 6.564 -0.858 -1.877 1.00 0.00 C ATOM 1219 CD2 LEU A 75 5.394 0.520 -3.657 1.00 0.00 C ATOM 0 H LEU A 75 7.452 0.494 -5.440 1.00 0.00 H new ATOM 0 HA LEU A 75 6.931 2.722 -3.920 1.00 0.00 H new ATOM 0 HB2 LEU A 75 8.769 0.532 -3.030 1.00 0.00 H new ATOM 0 HB3 LEU A 75 7.662 1.498 -2.075 1.00 0.00 H new ATOM 0 HG LEU A 75 7.051 -0.780 -3.944 1.00 0.00 H new ATOM 0 HD11 LEU A 75 5.799 -1.624 -2.003 1.00 0.00 H new ATOM 0 HD12 LEU A 75 7.512 -1.331 -1.620 1.00 0.00 H new ATOM 0 HD13 LEU A 75 6.269 -0.179 -1.077 1.00 0.00 H new ATOM 0 HD21 LEU A 75 4.652 -0.273 -3.747 1.00 0.00 H new ATOM 0 HD22 LEU A 75 5.047 1.260 -2.936 1.00 0.00 H new ATOM 0 HD23 LEU A 75 5.536 0.997 -4.627 1.00 0.00 H new ATOM 1231 N GLU A 76 10.078 2.538 -4.759 1.00 0.00 N ATOM 1232 CA GLU A 76 11.319 3.293 -4.810 1.00 0.00 C ATOM 1233 C GLU A 76 11.174 4.490 -5.751 1.00 0.00 C ATOM 1234 O GLU A 76 11.676 5.575 -5.463 1.00 0.00 O ATOM 1235 CB GLU A 76 12.486 2.399 -5.235 1.00 0.00 C ATOM 1236 CG GLU A 76 13.564 2.354 -4.150 1.00 0.00 C ATOM 1237 CD GLU A 76 14.898 2.886 -4.680 1.00 0.00 C ATOM 1238 OE1 GLU A 76 15.153 2.677 -5.886 1.00 0.00 O ATOM 1239 OE2 GLU A 76 15.631 3.490 -3.867 1.00 0.00 O ATOM 0 H GLU A 76 10.094 1.655 -5.270 1.00 0.00 H new ATOM 0 HA GLU A 76 11.536 3.667 -3.810 1.00 0.00 H new ATOM 0 HB2 GLU A 76 12.123 1.391 -5.434 1.00 0.00 H new ATOM 0 HB3 GLU A 76 12.916 2.773 -6.165 1.00 0.00 H new ATOM 0 HG2 GLU A 76 13.247 2.947 -3.292 1.00 0.00 H new ATOM 0 HG3 GLU A 76 13.690 1.329 -3.800 1.00 0.00 H new ATOM 1246 N GLU A 77 10.484 4.253 -6.857 1.00 0.00 N ATOM 1247 CA GLU A 77 10.267 5.298 -7.843 1.00 0.00 C ATOM 1248 C GLU A 77 9.548 6.488 -7.204 1.00 0.00 C ATOM 1249 O GLU A 77 10.036 7.616 -7.259 1.00 0.00 O ATOM 1250 CB GLU A 77 9.484 4.765 -9.044 1.00 0.00 C ATOM 1251 CG GLU A 77 10.354 3.843 -9.901 1.00 0.00 C ATOM 1252 CD GLU A 77 10.980 4.609 -11.068 1.00 0.00 C ATOM 1253 OE1 GLU A 77 10.266 4.784 -12.079 1.00 0.00 O ATOM 1254 OE2 GLU A 77 12.157 5.002 -10.923 1.00 0.00 O ATOM 0 H GLU A 77 10.068 3.352 -7.092 1.00 0.00 H new ATOM 0 HA GLU A 77 11.238 5.636 -8.206 1.00 0.00 H new ATOM 0 HB2 GLU A 77 8.605 4.222 -8.697 1.00 0.00 H new ATOM 0 HB3 GLU A 77 9.126 5.599 -9.648 1.00 0.00 H new ATOM 0 HG2 GLU A 77 11.140 3.404 -9.286 1.00 0.00 H new ATOM 0 HG3 GLU A 77 9.751 3.020 -10.284 1.00 0.00 H new ATOM 1261 N GLN A 78 8.399 6.196 -6.612 1.00 0.00 N ATOM 1262 CA GLN A 78 7.608 7.228 -5.964 1.00 0.00 C ATOM 1263 C GLN A 78 8.435 7.933 -4.886 1.00 0.00 C ATOM 1264 O GLN A 78 8.411 9.158 -4.783 1.00 0.00 O ATOM 1265 CB GLN A 78 6.322 6.644 -5.374 1.00 0.00 C ATOM 1266 CG GLN A 78 6.634 5.522 -4.382 1.00 0.00 C ATOM 1267 CD GLN A 78 5.410 4.633 -4.157 1.00 0.00 C ATOM 1268 OE1 GLN A 78 4.841 4.577 -3.079 1.00 0.00 O ATOM 1269 NE2 GLN A 78 5.037 3.943 -5.231 1.00 0.00 N ATOM 0 H GLN A 78 7.997 5.260 -6.568 1.00 0.00 H new ATOM 0 HA GLN A 78 7.323 7.965 -6.715 1.00 0.00 H new ATOM 0 HB2 GLN A 78 5.758 7.431 -4.873 1.00 0.00 H new ATOM 0 HB3 GLN A 78 5.691 6.260 -6.176 1.00 0.00 H new ATOM 0 HG2 GLN A 78 7.461 4.920 -4.757 1.00 0.00 H new ATOM 0 HG3 GLN A 78 6.956 5.950 -3.433 1.00 0.00 H new ATOM 0 HE21 GLN A 78 5.558 4.036 -6.103 1.00 0.00 H new ATOM 0 HE22 GLN A 78 4.230 3.321 -5.183 1.00 0.00 H new ATOM 1278 N GLY A 79 9.147 7.128 -4.112 1.00 0.00 N ATOM 1279 CA GLY A 79 9.980 7.658 -3.046 1.00 0.00 C ATOM 1280 C GLY A 79 9.668 6.974 -1.714 1.00 0.00 C ATOM 1281 O GLY A 79 9.353 7.639 -0.728 1.00 0.00 O ATOM 0 H GLY A 79 9.164 6.112 -4.202 1.00 0.00 H new ATOM 0 HA2 GLY A 79 11.031 7.514 -3.295 1.00 0.00 H new ATOM 0 HA3 GLY A 79 9.819 8.732 -2.954 1.00 0.00 H new ATOM 1285 N VAL A 80 9.766 5.652 -1.727 1.00 0.00 N ATOM 1286 CA VAL A 80 9.499 4.870 -0.532 1.00 0.00 C ATOM 1287 C VAL A 80 10.794 4.205 -0.063 1.00 0.00 C ATOM 1288 O VAL A 80 11.420 3.458 -0.814 1.00 0.00 O ATOM 1289 CB VAL A 80 8.375 3.867 -0.803 1.00 0.00 C ATOM 1290 CG1 VAL A 80 7.969 3.139 0.479 1.00 0.00 C ATOM 1291 CG2 VAL A 80 7.170 4.555 -1.448 1.00 0.00 C ATOM 0 H VAL A 80 10.027 5.103 -2.546 1.00 0.00 H new ATOM 0 HA VAL A 80 9.153 5.514 0.277 1.00 0.00 H new ATOM 0 HB VAL A 80 8.752 3.123 -1.505 1.00 0.00 H new ATOM 0 HG11 VAL A 80 7.169 2.432 0.258 1.00 0.00 H new ATOM 0 HG12 VAL A 80 8.828 2.601 0.879 1.00 0.00 H new ATOM 0 HG13 VAL A 80 7.620 3.864 1.214 1.00 0.00 H new ATOM 0 HG21 VAL A 80 6.386 3.820 -1.630 1.00 0.00 H new ATOM 0 HG22 VAL A 80 6.793 5.330 -0.781 1.00 0.00 H new ATOM 0 HG23 VAL A 80 7.471 5.006 -2.394 1.00 0.00 H new ATOM 1301 N ALA A 81 11.157 4.499 1.177 1.00 0.00 N ATOM 1302 CA ALA A 81 12.367 3.939 1.755 1.00 0.00 C ATOM 1303 C ALA A 81 11.990 2.823 2.732 1.00 0.00 C ATOM 1304 O ALA A 81 11.160 1.971 2.418 1.00 0.00 O ATOM 1305 CB ALA A 81 13.176 5.051 2.425 1.00 0.00 C ATOM 0 H ALA A 81 10.635 5.118 1.797 1.00 0.00 H new ATOM 0 HA ALA A 81 12.996 3.501 0.980 1.00 0.00 H new ATOM 0 HB1 ALA A 81 14.083 4.630 2.858 1.00 0.00 H new ATOM 0 HB2 ALA A 81 13.443 5.804 1.683 1.00 0.00 H new ATOM 0 HB3 ALA A 81 12.579 5.512 3.211 1.00 0.00 H new ATOM 1311 N HIS A 82 12.618 2.864 3.898 1.00 0.00 N ATOM 1312 CA HIS A 82 12.359 1.868 4.923 1.00 0.00 C ATOM 1313 C HIS A 82 11.302 2.394 5.896 1.00 0.00 C ATOM 1314 O HIS A 82 10.343 1.693 6.215 1.00 0.00 O ATOM 1315 CB HIS A 82 13.657 1.459 5.624 1.00 0.00 C ATOM 1316 CG HIS A 82 13.526 1.310 7.121 1.00 0.00 C ATOM 1317 ND1 HIS A 82 12.499 0.598 7.716 1.00 0.00 N ATOM 1318 CD2 HIS A 82 14.304 1.786 8.135 1.00 0.00 C ATOM 1319 CE1 HIS A 82 12.661 0.652 9.030 1.00 0.00 C ATOM 1320 NE2 HIS A 82 13.779 1.389 9.288 1.00 0.00 N ATOM 0 H HIS A 82 13.306 3.572 4.155 1.00 0.00 H new ATOM 0 HA HIS A 82 11.961 0.964 4.462 1.00 0.00 H new ATOM 0 HB2 HIS A 82 14.003 0.514 5.204 1.00 0.00 H new ATOM 0 HB3 HIS A 82 14.424 2.203 5.409 1.00 0.00 H new ATOM 0 HD2 HIS A 82 15.196 2.384 8.020 1.00 0.00 H new ATOM 0 HE1 HIS A 82 12.020 0.193 9.768 1.00 0.00 H new ATOM 0 HE2 HIS A 82 14.151 1.600 10.214 1.00 0.00 H new ATOM 1328 N ASN A 83 11.512 3.625 6.339 1.00 0.00 N ATOM 1329 CA ASN A 83 10.589 4.253 7.269 1.00 0.00 C ATOM 1330 C ASN A 83 9.540 5.043 6.483 1.00 0.00 C ATOM 1331 O ASN A 83 9.744 6.216 6.174 1.00 0.00 O ATOM 1332 CB ASN A 83 11.318 5.228 8.195 1.00 0.00 C ATOM 1333 CG ASN A 83 10.330 6.163 8.895 1.00 0.00 C ATOM 1334 OD1 ASN A 83 9.152 5.874 9.031 1.00 0.00 O ATOM 1335 ND2 ASN A 83 10.873 7.296 9.331 1.00 0.00 N ATOM 0 H ASN A 83 12.308 4.204 6.071 1.00 0.00 H new ATOM 0 HA ASN A 83 10.125 3.468 7.866 1.00 0.00 H new ATOM 0 HB2 ASN A 83 11.887 4.671 8.940 1.00 0.00 H new ATOM 0 HB3 ASN A 83 12.034 5.815 7.620 1.00 0.00 H new ATOM 0 HD21 ASN A 83 10.296 7.986 9.812 1.00 0.00 H new ATOM 0 HD22 ASN A 83 11.866 7.475 9.184 1.00 0.00 H new ATOM 1342 N VAL A 84 8.440 4.368 6.182 1.00 0.00 N ATOM 1343 CA VAL A 84 7.359 4.993 5.438 1.00 0.00 C ATOM 1344 C VAL A 84 6.018 4.547 6.025 1.00 0.00 C ATOM 1345 O VAL A 84 5.963 3.598 6.806 1.00 0.00 O ATOM 1346 CB VAL A 84 7.496 4.672 3.948 1.00 0.00 C ATOM 1347 CG1 VAL A 84 8.645 5.464 3.320 1.00 0.00 C ATOM 1348 CG2 VAL A 84 7.679 3.170 3.725 1.00 0.00 C ATOM 0 H VAL A 84 8.274 3.395 6.440 1.00 0.00 H new ATOM 0 HA VAL A 84 7.409 6.078 5.529 1.00 0.00 H new ATOM 0 HB VAL A 84 6.572 4.973 3.454 1.00 0.00 H new ATOM 0 HG11 VAL A 84 8.721 5.217 2.261 1.00 0.00 H new ATOM 0 HG12 VAL A 84 8.455 6.531 3.431 1.00 0.00 H new ATOM 0 HG13 VAL A 84 9.579 5.208 3.820 1.00 0.00 H new ATOM 0 HG21 VAL A 84 7.774 2.970 2.658 1.00 0.00 H new ATOM 0 HG22 VAL A 84 8.579 2.833 4.239 1.00 0.00 H new ATOM 0 HG23 VAL A 84 6.815 2.636 4.119 1.00 0.00 H new ATOM 1358 N LYS A 85 4.971 5.253 5.627 1.00 0.00 N ATOM 1359 CA LYS A 85 3.634 4.942 6.103 1.00 0.00 C ATOM 1360 C LYS A 85 2.642 5.067 4.945 1.00 0.00 C ATOM 1361 O LYS A 85 2.952 5.673 3.920 1.00 0.00 O ATOM 1362 CB LYS A 85 3.280 5.810 7.312 1.00 0.00 C ATOM 1363 CG LYS A 85 3.279 7.294 6.940 1.00 0.00 C ATOM 1364 CD LYS A 85 2.164 8.043 7.673 1.00 0.00 C ATOM 1365 CE LYS A 85 2.607 8.443 9.082 1.00 0.00 C ATOM 1366 NZ LYS A 85 1.461 8.969 9.856 1.00 0.00 N ATOM 0 H LYS A 85 5.021 6.040 4.980 1.00 0.00 H new ATOM 0 HA LYS A 85 3.586 3.911 6.454 1.00 0.00 H new ATOM 0 HB2 LYS A 85 2.299 5.526 7.693 1.00 0.00 H new ATOM 0 HB3 LYS A 85 3.997 5.633 8.114 1.00 0.00 H new ATOM 0 HG2 LYS A 85 4.244 7.736 7.190 1.00 0.00 H new ATOM 0 HG3 LYS A 85 3.148 7.402 5.863 1.00 0.00 H new ATOM 0 HD2 LYS A 85 1.887 8.933 7.108 1.00 0.00 H new ATOM 0 HD3 LYS A 85 1.276 7.414 7.732 1.00 0.00 H new ATOM 0 HE2 LYS A 85 3.034 7.581 9.594 1.00 0.00 H new ATOM 0 HE3 LYS A 85 3.391 9.198 9.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 1.805 9.391 10.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 0.967 9.694 9.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 0.804 8.193 10.074 1.00 0.00 H new ATOM 1380 N ALA A 86 1.469 4.485 5.147 1.00 0.00 N ATOM 1381 CA ALA A 86 0.430 4.524 4.132 1.00 0.00 C ATOM 1382 C ALA A 86 -0.940 4.575 4.812 1.00 0.00 C ATOM 1383 O ALA A 86 -1.123 4.009 5.889 1.00 0.00 O ATOM 1384 CB ALA A 86 0.576 3.316 3.205 1.00 0.00 C ATOM 0 H ALA A 86 1.215 3.984 5.998 1.00 0.00 H new ATOM 0 HA ALA A 86 0.527 5.419 3.518 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -0.203 3.345 2.444 1.00 0.00 H new ATOM 0 HB2 ALA A 86 1.554 3.342 2.724 1.00 0.00 H new ATOM 0 HB3 ALA A 86 0.482 2.398 3.786 1.00 0.00 H new ATOM 1390 N MET A 87 -1.866 5.258 4.156 1.00 0.00 N ATOM 1391 CA MET A 87 -3.213 5.390 4.684 1.00 0.00 C ATOM 1392 C MET A 87 -4.222 4.649 3.804 1.00 0.00 C ATOM 1393 O MET A 87 -4.392 4.983 2.632 1.00 0.00 O ATOM 1394 CB MET A 87 -3.590 6.871 4.757 1.00 0.00 C ATOM 1395 CG MET A 87 -4.600 7.124 5.878 1.00 0.00 C ATOM 1396 SD MET A 87 -3.778 7.084 7.462 1.00 0.00 S ATOM 1397 CE MET A 87 -3.245 8.784 7.577 1.00 0.00 C ATOM 0 H MET A 87 -1.710 5.726 3.263 1.00 0.00 H new ATOM 0 HA MET A 87 -3.237 4.950 5.681 1.00 0.00 H new ATOM 0 HB2 MET A 87 -2.695 7.470 4.927 1.00 0.00 H new ATOM 0 HB3 MET A 87 -4.011 7.190 3.804 1.00 0.00 H new ATOM 0 HG2 MET A 87 -5.081 8.091 5.733 1.00 0.00 H new ATOM 0 HG3 MET A 87 -5.386 6.369 5.848 1.00 0.00 H new ATOM 0 HE1 MET A 87 -2.710 8.935 8.515 1.00 0.00 H new ATOM 0 HE2 MET A 87 -2.585 9.016 6.741 1.00 0.00 H new ATOM 0 HE3 MET A 87 -4.114 9.441 7.546 1.00 0.00 H new ATOM 1407 N VAL A 88 -4.865 3.657 4.402 1.00 0.00 N ATOM 1408 CA VAL A 88 -5.853 2.866 3.687 1.00 0.00 C ATOM 1409 C VAL A 88 -7.193 3.604 3.695 1.00 0.00 C ATOM 1410 O VAL A 88 -7.767 3.844 4.757 1.00 0.00 O ATOM 1411 CB VAL A 88 -5.938 1.464 4.292 1.00 0.00 C ATOM 1412 CG1 VAL A 88 -7.012 0.629 3.592 1.00 0.00 C ATOM 1413 CG2 VAL A 88 -4.579 0.762 4.244 1.00 0.00 C ATOM 0 H VAL A 88 -4.721 3.383 5.374 1.00 0.00 H new ATOM 0 HA VAL A 88 -5.559 2.738 2.645 1.00 0.00 H new ATOM 0 HB VAL A 88 -6.224 1.568 5.339 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -7.052 -0.363 4.041 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -7.981 1.116 3.702 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -6.770 0.538 2.533 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -4.668 -0.233 4.680 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -4.250 0.676 3.208 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -3.850 1.342 4.809 1.00 0.00 H new ATOM 1423 N LEU A 89 -7.653 3.943 2.500 1.00 0.00 N ATOM 1424 CA LEU A 89 -8.916 4.648 2.356 1.00 0.00 C ATOM 1425 C LEU A 89 -9.924 3.741 1.649 1.00 0.00 C ATOM 1426 O LEU A 89 -9.538 2.806 0.948 1.00 0.00 O ATOM 1427 CB LEU A 89 -8.702 5.992 1.658 1.00 0.00 C ATOM 1428 CG LEU A 89 -8.289 7.158 2.559 1.00 0.00 C ATOM 1429 CD1 LEU A 89 -7.240 6.716 3.582 1.00 0.00 C ATOM 1430 CD2 LEU A 89 -7.813 8.351 1.728 1.00 0.00 C ATOM 0 H LEU A 89 -7.174 3.743 1.622 1.00 0.00 H new ATOM 0 HA LEU A 89 -9.333 4.886 3.334 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -7.938 5.863 0.891 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -9.625 6.264 1.146 1.00 0.00 H new ATOM 0 HG LEU A 89 -9.166 7.485 3.118 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -6.964 7.563 4.209 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -7.651 5.922 4.205 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -6.356 6.347 3.061 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -7.526 9.166 2.393 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -6.955 8.055 1.125 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -8.619 8.684 1.074 1.00 0.00 H new ATOM 1442 N GLU A 90 -11.196 4.048 1.856 1.00 0.00 N ATOM 1443 CA GLU A 90 -12.263 3.272 1.246 1.00 0.00 C ATOM 1444 C GLU A 90 -12.880 4.044 0.079 1.00 0.00 C ATOM 1445 O GLU A 90 -13.355 5.165 0.254 1.00 0.00 O ATOM 1446 CB GLU A 90 -13.327 2.896 2.280 1.00 0.00 C ATOM 1447 CG GLU A 90 -12.863 1.719 3.140 1.00 0.00 C ATOM 1448 CD GLU A 90 -14.029 0.780 3.458 1.00 0.00 C ATOM 1449 OE1 GLU A 90 -14.783 1.109 4.400 1.00 0.00 O ATOM 1450 OE2 GLU A 90 -14.140 -0.245 2.752 1.00 0.00 O ATOM 0 H GLU A 90 -11.512 4.824 2.438 1.00 0.00 H new ATOM 0 HA GLU A 90 -11.837 2.346 0.858 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -13.540 3.755 2.917 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -14.256 2.637 1.773 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -12.080 1.169 2.618 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -12.427 2.091 4.067 1.00 0.00 H new