USER MOD reduce.3.24.130724 H: found=0, std=0, add=825, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 827 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 5 THR OG1 : rot 180:sc= 0.0309 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 69:sc= -1.54! USER MOD Single : A 26 THR OG1 : rot -35:sc= 0.841 USER MOD Single : A 27 GLN : amide:sc= -0.471 K(o=-0.47,f=-1) USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.609 USER MOD Single : A 35 LYS NZ :NH3+ -142:sc= -0.506 (180deg=-1.3) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= -0.0109 X(o=-0.011,f=-0.021) USER MOD Single : A 42 ASN : amide:sc= 0.0924 K(o=0.092,f=-0.53) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= -0.196 USER MOD Single : A 61 THR OG1 : rot 63:sc= -1.84 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.0048 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 66:sc= 1.09 USER MOD Single : A 69 MET CE :methyl 161:sc= -0.898 (180deg=-1.63) USER MOD Single : A 72 ASN : amide:sc= -0.285 X(o=-0.29,f=-0.015) USER MOD Single : A 73 LYS NZ :NH3+ -167:sc= 1.07 (180deg=0.81) USER MOD Single : A 77 LYS NZ :NH3+ -164:sc= -0.0321 (180deg=-0.294) USER MOD Single : A 79 LYS NZ :NH3+ -146:sc= -0.846 (180deg=-1.52!) USER MOD Single : A 83 ASN : amide:sc= -1.51 K(o=-1.5,f=-12!) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 96 ASN : amide:sc= -0.2 X(o=-0.2,f=-0.61) USER MOD Single : A 100 GLN : amide:sc= -0.202 X(o=-0.2,f=0) USER MOD Single : A 101 THR OG1 : rot 89:sc= 0.0135 USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 THR OG1 : rot -170:sc= -0.406 USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0292) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc=-0.000385 (180deg=-0.000385) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 13 N PHE A 2 12.230 -10.395 3.695 1.00 0.00 N ATOM 14 CA PHE A 2 10.853 -10.200 4.162 1.00 0.00 C ATOM 15 C PHE A 2 10.878 -10.534 5.658 1.00 0.00 C ATOM 16 O PHE A 2 9.945 -11.059 6.247 1.00 0.00 O ATOM 17 CB PHE A 2 9.836 -11.107 3.494 1.00 0.00 C ATOM 18 CG PHE A 2 9.229 -10.509 2.245 1.00 0.00 C ATOM 19 CD1 PHE A 2 8.117 -9.718 2.374 1.00 0.00 C ATOM 20 CD2 PHE A 2 9.698 -10.700 0.984 1.00 0.00 C ATOM 21 CE1 PHE A 2 7.507 -9.139 1.262 1.00 0.00 C ATOM 22 CE2 PHE A 2 9.043 -10.099 -0.062 1.00 0.00 C ATOM 23 CZ PHE A 2 7.919 -9.302 0.132 1.00 0.00 C ATOM 0 HA PHE A 2 10.547 -9.180 3.928 1.00 0.00 H new ATOM 0 HB2 PHE A 2 10.315 -12.053 3.240 1.00 0.00 H new ATOM 0 HB3 PHE A 2 9.040 -11.333 4.204 1.00 0.00 H new ATOM 0 HD1 PHE A 2 7.705 -9.540 3.356 1.00 0.00 H new ATOM 0 HD2 PHE A 2 10.570 -11.313 0.808 1.00 0.00 H new ATOM 0 HE1 PHE A 2 6.634 -8.521 1.412 1.00 0.00 H new ATOM 0 HE2 PHE A 2 9.411 -10.249 -1.066 1.00 0.00 H new ATOM 0 HZ PHE A 2 7.423 -8.837 -0.707 1.00 0.00 H new ATOM 33 N ASP A 3 12.047 -10.181 6.236 1.00 0.00 N ATOM 34 CA ASP A 3 12.176 -10.452 7.635 1.00 0.00 C ATOM 35 C ASP A 3 12.703 -9.341 8.512 1.00 0.00 C ATOM 36 O ASP A 3 13.608 -9.616 9.314 1.00 0.00 O ATOM 37 CB ASP A 3 13.224 -11.605 7.713 1.00 0.00 C ATOM 38 CG ASP A 3 14.597 -11.178 7.217 1.00 0.00 C ATOM 39 OD1 ASP A 3 14.895 -10.025 6.920 1.00 0.00 O ATOM 40 OD2 ASP A 3 15.425 -12.077 7.131 1.00 0.00 O ATOM 0 H ASP A 3 12.845 -9.742 5.776 1.00 0.00 H new ATOM 0 HA ASP A 3 11.172 -10.653 8.009 1.00 0.00 H new ATOM 0 HB2 ASP A 3 13.305 -11.949 8.744 1.00 0.00 H new ATOM 0 HB3 ASP A 3 12.874 -12.451 7.121 1.00 0.00 H new ATOM 45 N GLY A 4 12.140 -8.139 8.339 1.00 0.00 N ATOM 46 CA GLY A 4 12.746 -7.140 9.250 1.00 0.00 C ATOM 47 C GLY A 4 11.940 -5.892 9.066 1.00 0.00 C ATOM 48 O GLY A 4 10.908 -6.018 8.374 1.00 0.00 O ATOM 0 H GLY A 4 11.398 -7.854 7.700 1.00 0.00 H new ATOM 0 HA2 GLY A 4 12.712 -7.481 10.285 1.00 0.00 H new ATOM 0 HA3 GLY A 4 13.794 -6.970 9.005 1.00 0.00 H new ATOM 52 N THR A 5 12.305 -4.728 9.614 1.00 0.00 N ATOM 53 CA THR A 5 11.362 -3.631 9.312 1.00 0.00 C ATOM 54 C THR A 5 11.782 -3.144 7.941 1.00 0.00 C ATOM 55 O THR A 5 12.674 -3.776 7.353 1.00 0.00 O ATOM 56 CB THR A 5 11.769 -2.472 10.250 1.00 0.00 C ATOM 57 OG1 THR A 5 13.161 -2.328 10.344 1.00 0.00 O ATOM 58 CG2 THR A 5 11.137 -2.617 11.631 1.00 0.00 C ATOM 0 H THR A 5 13.123 -4.525 10.189 1.00 0.00 H new ATOM 0 HA THR A 5 10.315 -3.923 9.396 1.00 0.00 H new ATOM 0 HB THR A 5 11.381 -1.558 9.800 1.00 0.00 H new ATOM 0 HG1 THR A 5 13.373 -1.584 10.945 1.00 0.00 H new ATOM 0 HG21 THR A 5 11.446 -1.784 12.262 1.00 0.00 H new ATOM 0 HG22 THR A 5 10.051 -2.617 11.536 1.00 0.00 H new ATOM 0 HG23 THR A 5 11.461 -3.554 12.083 1.00 0.00 H new ATOM 66 N TRP A 6 11.191 -2.054 7.394 1.00 0.00 N ATOM 67 CA TRP A 6 11.543 -1.544 6.111 1.00 0.00 C ATOM 68 C TRP A 6 11.082 -0.089 5.880 1.00 0.00 C ATOM 69 O TRP A 6 9.917 0.069 6.117 1.00 0.00 O ATOM 70 CB TRP A 6 10.786 -2.250 4.950 1.00 0.00 C ATOM 71 CG TRP A 6 11.121 -3.648 4.685 1.00 0.00 C ATOM 72 CD1 TRP A 6 10.735 -4.748 5.463 1.00 0.00 C ATOM 73 CD2 TRP A 6 11.884 -4.359 3.640 1.00 0.00 C ATOM 74 NE1 TRP A 6 11.191 -5.864 4.957 1.00 0.00 N ATOM 75 CE2 TRP A 6 11.931 -5.742 3.809 1.00 0.00 C ATOM 76 CE3 TRP A 6 12.569 -3.926 2.519 1.00 0.00 C ATOM 77 CZ2 TRP A 6 12.550 -6.630 3.017 1.00 0.00 C ATOM 78 CZ3 TRP A 6 13.231 -4.818 1.677 1.00 0.00 C ATOM 79 CH2 TRP A 6 13.231 -6.179 1.909 1.00 0.00 C ATOM 0 H TRP A 6 10.455 -1.523 7.860 1.00 0.00 H new ATOM 0 HA TRP A 6 12.624 -1.681 6.106 1.00 0.00 H new ATOM 0 HB2 TRP A 6 9.718 -2.193 5.159 1.00 0.00 H new ATOM 0 HB3 TRP A 6 10.963 -1.682 4.037 1.00 0.00 H new ATOM 0 HD1 TRP A 6 10.140 -4.682 6.362 1.00 0.00 H new ATOM 0 HE1 TRP A 6 11.008 -6.769 5.389 1.00 0.00 H new ATOM 0 HE3 TRP A 6 12.591 -2.871 2.291 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 12.515 -7.685 3.246 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 13.760 -4.433 0.818 1.00 0.00 H new ATOM 0 HH2 TRP A 6 13.744 -6.862 1.248 1.00 0.00 H new ATOM 90 N LYS A 7 11.937 0.824 5.455 1.00 0.00 N ATOM 91 CA LYS A 7 11.670 2.194 5.149 1.00 0.00 C ATOM 92 C LYS A 7 11.439 3.153 6.340 1.00 0.00 C ATOM 93 O LYS A 7 11.415 2.689 7.439 1.00 0.00 O ATOM 94 CB LYS A 7 10.319 2.310 4.355 1.00 0.00 C ATOM 95 CG LYS A 7 10.526 1.415 3.182 1.00 0.00 C ATOM 96 CD LYS A 7 9.314 1.344 2.233 1.00 0.00 C ATOM 97 CE LYS A 7 7.984 1.401 2.982 1.00 0.00 C ATOM 98 NZ LYS A 7 6.761 1.178 2.216 1.00 0.00 N ATOM 0 H LYS A 7 12.919 0.592 5.306 1.00 0.00 H new ATOM 0 HA LYS A 7 12.577 2.486 4.620 1.00 0.00 H new ATOM 0 HB2 LYS A 7 9.470 1.990 4.959 1.00 0.00 H new ATOM 0 HB3 LYS A 7 10.122 3.337 4.046 1.00 0.00 H new ATOM 0 HG2 LYS A 7 11.395 1.761 2.622 1.00 0.00 H new ATOM 0 HG3 LYS A 7 10.756 0.411 3.539 1.00 0.00 H new ATOM 0 HD2 LYS A 7 9.363 2.169 1.523 1.00 0.00 H new ATOM 0 HD3 LYS A 7 9.363 0.422 1.654 1.00 0.00 H new ATOM 0 HE2 LYS A 7 8.018 0.661 3.782 1.00 0.00 H new ATOM 0 HE3 LYS A 7 7.908 2.379 3.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 5.938 1.245 2.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 6.683 1.897 1.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 6.789 0.232 1.784 1.00 0.00 H new ATOM 112 N VAL A 8 11.273 4.354 5.795 1.00 0.00 N ATOM 113 CA VAL A 8 10.925 5.574 6.479 1.00 0.00 C ATOM 114 C VAL A 8 11.370 5.817 7.872 1.00 0.00 C ATOM 115 O VAL A 8 11.127 5.195 8.888 1.00 0.00 O ATOM 116 CB VAL A 8 9.365 5.518 6.367 1.00 0.00 C ATOM 117 CG1 VAL A 8 8.579 5.615 7.650 1.00 0.00 C ATOM 118 CG2 VAL A 8 8.779 6.671 5.544 1.00 0.00 C ATOM 0 H VAL A 8 11.389 4.500 4.792 1.00 0.00 H new ATOM 0 HA VAL A 8 11.454 6.410 6.021 1.00 0.00 H new ATOM 0 HB VAL A 8 9.257 4.530 5.920 1.00 0.00 H new ATOM 0 HG11 VAL A 8 7.513 5.563 7.428 1.00 0.00 H new ATOM 0 HG12 VAL A 8 8.853 4.790 8.308 1.00 0.00 H new ATOM 0 HG13 VAL A 8 8.802 6.562 8.142 1.00 0.00 H new ATOM 0 HG21 VAL A 8 7.694 6.575 5.504 1.00 0.00 H new ATOM 0 HG22 VAL A 8 9.042 7.621 6.009 1.00 0.00 H new ATOM 0 HG23 VAL A 8 9.184 6.638 4.532 1.00 0.00 H new ATOM 300 N LEU A 21 4.496 5.765 5.397 1.00 0.00 N ATOM 301 CA LEU A 21 4.366 4.314 5.255 1.00 0.00 C ATOM 302 C LEU A 21 5.767 3.768 5.579 1.00 0.00 C ATOM 303 O LEU A 21 6.696 4.517 5.379 1.00 0.00 O ATOM 304 CB LEU A 21 3.954 3.879 3.851 1.00 0.00 C ATOM 305 CG LEU A 21 4.120 4.857 2.694 1.00 0.00 C ATOM 306 CD1 LEU A 21 5.623 5.215 2.550 1.00 0.00 C ATOM 307 CD2 LEU A 21 3.743 4.285 1.311 1.00 0.00 C ATOM 0 HA LEU A 21 3.582 3.937 5.912 1.00 0.00 H new ATOM 0 HB2 LEU A 21 4.520 2.981 3.606 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.903 3.592 3.891 1.00 0.00 H new ATOM 0 HG LEU A 21 3.463 5.691 2.939 1.00 0.00 H new ATOM 0 HD11 LEU A 21 5.753 5.915 1.724 1.00 0.00 H new ATOM 0 HD12 LEU A 21 5.978 5.673 3.473 1.00 0.00 H new ATOM 0 HD13 LEU A 21 6.195 4.309 2.351 1.00 0.00 H new ATOM 0 HD21 LEU A 21 3.892 5.049 0.548 1.00 0.00 H new ATOM 0 HD22 LEU A 21 4.373 3.424 1.089 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.697 3.978 1.317 1.00 0.00 H new ATOM 319 N LYS A 22 5.776 2.534 6.042 1.00 0.00 N ATOM 320 CA LYS A 22 6.946 1.785 6.417 1.00 0.00 C ATOM 321 C LYS A 22 6.438 0.325 6.170 1.00 0.00 C ATOM 322 O LYS A 22 5.290 0.106 6.466 1.00 0.00 O ATOM 323 CB LYS A 22 7.111 1.702 7.966 1.00 0.00 C ATOM 324 CG LYS A 22 5.966 2.423 8.685 1.00 0.00 C ATOM 325 CD LYS A 22 6.122 2.618 10.165 1.00 0.00 C ATOM 326 CE LYS A 22 7.455 2.048 10.710 1.00 0.00 C ATOM 327 NZ LYS A 22 7.548 2.224 12.152 1.00 0.00 N ATOM 0 H LYS A 22 4.915 2.002 6.172 1.00 0.00 H new ATOM 0 HA LYS A 22 7.832 2.185 5.924 1.00 0.00 H new ATOM 0 HB2 LYS A 22 7.138 0.657 8.276 1.00 0.00 H new ATOM 0 HB3 LYS A 22 8.063 2.145 8.257 1.00 0.00 H new ATOM 0 HG2 LYS A 22 5.836 3.402 8.224 1.00 0.00 H new ATOM 0 HG3 LYS A 22 5.047 1.864 8.510 1.00 0.00 H new ATOM 0 HD2 LYS A 22 6.067 3.682 10.394 1.00 0.00 H new ATOM 0 HD3 LYS A 22 5.290 2.138 10.680 1.00 0.00 H new ATOM 0 HE2 LYS A 22 7.529 0.989 10.464 1.00 0.00 H new ATOM 0 HE3 LYS A 22 8.293 2.547 10.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 8.450 1.834 12.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 7.500 3.237 12.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 6.760 1.727 12.614 1.00 0.00 H new ATOM 341 N LEU A 23 7.390 -0.432 5.682 1.00 0.00 N ATOM 342 CA LEU A 23 7.033 -1.830 5.450 1.00 0.00 C ATOM 343 C LEU A 23 7.699 -2.432 6.716 1.00 0.00 C ATOM 344 O LEU A 23 8.327 -1.590 7.381 1.00 0.00 O ATOM 345 CB LEU A 23 7.439 -2.342 4.127 1.00 0.00 C ATOM 346 CG LEU A 23 6.317 -2.310 3.046 1.00 0.00 C ATOM 347 CD1 LEU A 23 6.929 -2.706 1.687 1.00 0.00 C ATOM 348 CD2 LEU A 23 5.224 -3.330 3.195 1.00 0.00 C ATOM 0 H LEU A 23 8.342 -0.149 5.451 1.00 0.00 H new ATOM 0 HA LEU A 23 5.975 -2.077 5.363 1.00 0.00 H new ATOM 0 HB2 LEU A 23 8.286 -1.756 3.770 1.00 0.00 H new ATOM 0 HB3 LEU A 23 7.787 -3.369 4.241 1.00 0.00 H new ATOM 0 HG LEU A 23 5.907 -1.304 3.139 1.00 0.00 H new ATOM 0 HD11 LEU A 23 6.155 -2.688 0.920 1.00 0.00 H new ATOM 0 HD12 LEU A 23 7.717 -2.001 1.424 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.348 -3.710 1.755 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.502 -3.211 2.387 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.653 -4.331 3.154 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.723 -3.189 4.153 1.00 0.00 H new ATOM 360 N THR A 24 7.555 -3.701 6.962 1.00 0.00 N ATOM 361 CA THR A 24 8.157 -4.335 8.152 1.00 0.00 C ATOM 362 C THR A 24 7.405 -5.664 8.226 1.00 0.00 C ATOM 363 O THR A 24 6.506 -5.985 8.980 1.00 0.00 O ATOM 364 CB THR A 24 7.890 -3.484 9.380 1.00 0.00 C ATOM 365 OG1 THR A 24 8.823 -2.432 9.633 1.00 0.00 O ATOM 366 CG2 THR A 24 7.736 -4.225 10.712 1.00 0.00 C ATOM 0 H THR A 24 7.028 -4.340 6.366 1.00 0.00 H new ATOM 0 HA THR A 24 9.239 -4.456 8.100 1.00 0.00 H new ATOM 0 HB THR A 24 6.928 -3.077 9.067 1.00 0.00 H new ATOM 0 HG1 THR A 24 8.727 -1.738 8.948 1.00 0.00 H new ATOM 0 HG21 THR A 24 7.549 -3.505 11.509 1.00 0.00 H new ATOM 0 HG22 THR A 24 6.899 -4.920 10.647 1.00 0.00 H new ATOM 0 HG23 THR A 24 8.650 -4.777 10.929 1.00 0.00 H new ATOM 374 N ILE A 25 7.881 -6.491 7.313 1.00 0.00 N ATOM 375 CA ILE A 25 7.282 -7.800 7.245 1.00 0.00 C ATOM 376 C ILE A 25 8.165 -8.808 7.975 1.00 0.00 C ATOM 377 O ILE A 25 9.365 -8.575 7.978 1.00 0.00 O ATOM 378 CB ILE A 25 7.169 -8.155 5.761 1.00 0.00 C ATOM 379 CG1 ILE A 25 6.523 -7.082 4.909 1.00 0.00 C ATOM 380 CG2 ILE A 25 6.383 -9.495 5.646 1.00 0.00 C ATOM 381 CD1 ILE A 25 7.559 -6.281 4.098 1.00 0.00 C ATOM 0 H ILE A 25 8.631 -6.295 6.650 1.00 0.00 H new ATOM 0 HA ILE A 25 6.301 -7.817 7.719 1.00 0.00 H new ATOM 0 HB ILE A 25 8.181 -8.250 5.367 1.00 0.00 H new ATOM 0 HG12 ILE A 25 5.808 -7.543 4.227 1.00 0.00 H new ATOM 0 HG13 ILE A 25 5.960 -6.402 5.549 1.00 0.00 H new ATOM 0 HG21 ILE A 25 6.288 -9.772 4.596 1.00 0.00 H new ATOM 0 HG22 ILE A 25 6.920 -10.279 6.181 1.00 0.00 H new ATOM 0 HG23 ILE A 25 5.391 -9.373 6.081 1.00 0.00 H new ATOM 0 HD11 ILE A 25 7.049 -5.524 3.503 1.00 0.00 H new ATOM 0 HD12 ILE A 25 8.259 -5.797 4.779 1.00 0.00 H new ATOM 0 HD13 ILE A 25 8.104 -6.955 3.437 1.00 0.00 H new ATOM 393 N THR A 26 7.585 -9.852 8.542 1.00 0.00 N ATOM 394 CA THR A 26 8.517 -10.739 9.213 1.00 0.00 C ATOM 395 C THR A 26 7.626 -11.968 9.565 1.00 0.00 C ATOM 396 O THR A 26 7.249 -12.134 10.710 1.00 0.00 O ATOM 397 CB THR A 26 9.121 -10.198 10.483 1.00 0.00 C ATOM 398 OG1 THR A 26 9.573 -8.866 10.476 1.00 0.00 O ATOM 399 CG2 THR A 26 10.326 -11.057 10.916 1.00 0.00 C ATOM 0 H THR A 26 6.593 -10.091 8.558 1.00 0.00 H new ATOM 0 HA THR A 26 9.377 -10.931 8.572 1.00 0.00 H new ATOM 0 HB THR A 26 8.274 -10.235 11.167 1.00 0.00 H new ATOM 0 HG1 THR A 26 9.939 -8.649 9.593 1.00 0.00 H new ATOM 0 HG21 THR A 26 10.750 -10.652 11.835 1.00 0.00 H new ATOM 0 HG22 THR A 26 9.999 -12.082 11.088 1.00 0.00 H new ATOM 0 HG23 THR A 26 11.082 -11.045 10.131 1.00 0.00 H new ATOM 407 N GLN A 27 7.403 -12.699 8.464 1.00 0.00 N ATOM 408 CA GLN A 27 6.578 -13.862 8.711 1.00 0.00 C ATOM 409 C GLN A 27 7.026 -14.763 9.851 1.00 0.00 C ATOM 410 O GLN A 27 8.199 -14.988 10.056 1.00 0.00 O ATOM 411 CB GLN A 27 6.416 -14.680 7.412 1.00 0.00 C ATOM 412 CG GLN A 27 7.724 -15.303 6.950 1.00 0.00 C ATOM 413 CD GLN A 27 8.600 -14.413 6.064 1.00 0.00 C ATOM 414 OE1 GLN A 27 8.173 -13.944 5.027 1.00 0.00 O ATOM 415 NE2 GLN A 27 9.797 -14.283 6.645 1.00 0.00 N ATOM 0 H GLN A 27 7.737 -12.532 7.515 1.00 0.00 H new ATOM 0 HA GLN A 27 5.620 -13.460 9.042 1.00 0.00 H new ATOM 0 HB2 GLN A 27 5.679 -15.467 7.571 1.00 0.00 H new ATOM 0 HB3 GLN A 27 6.027 -14.033 6.625 1.00 0.00 H new ATOM 0 HG2 GLN A 27 8.300 -15.590 7.829 1.00 0.00 H new ATOM 0 HG3 GLN A 27 7.497 -16.219 6.404 1.00 0.00 H new ATOM 0 HE21 GLN A 27 9.988 -14.754 7.529 1.00 0.00 H new ATOM 0 HE22 GLN A 27 10.519 -13.713 6.204 1.00 0.00 H new ATOM 424 N GLU A 28 5.936 -15.218 10.532 1.00 0.00 N ATOM 425 CA GLU A 28 6.123 -16.093 11.674 1.00 0.00 C ATOM 426 C GLU A 28 5.438 -17.414 11.224 1.00 0.00 C ATOM 427 O GLU A 28 4.193 -17.394 11.262 1.00 0.00 O ATOM 428 CB GLU A 28 5.497 -15.451 12.895 1.00 0.00 C ATOM 429 CG GLU A 28 4.323 -14.501 12.637 1.00 0.00 C ATOM 430 CD GLU A 28 4.822 -13.060 12.503 1.00 0.00 C ATOM 431 OE1 GLU A 28 5.603 -12.634 13.338 1.00 0.00 O ATOM 432 OE2 GLU A 28 4.386 -12.432 11.541 1.00 0.00 O ATOM 0 H GLU A 28 4.967 -14.993 10.306 1.00 0.00 H new ATOM 0 HA GLU A 28 7.158 -16.280 11.959 1.00 0.00 H new ATOM 0 HB2 GLU A 28 5.156 -16.244 13.561 1.00 0.00 H new ATOM 0 HB3 GLU A 28 6.272 -14.900 13.427 1.00 0.00 H new ATOM 0 HG2 GLU A 28 3.800 -14.798 11.728 1.00 0.00 H new ATOM 0 HG3 GLU A 28 3.605 -14.569 13.454 1.00 0.00 H new ATOM 439 N GLY A 29 6.228 -18.431 10.849 1.00 0.00 N ATOM 440 CA GLY A 29 5.480 -19.644 10.442 1.00 0.00 C ATOM 441 C GLY A 29 5.002 -19.230 9.046 1.00 0.00 C ATOM 442 O GLY A 29 5.768 -18.913 8.155 1.00 0.00 O ATOM 0 H GLY A 29 7.247 -18.458 10.815 1.00 0.00 H new ATOM 0 HA2 GLY A 29 6.113 -20.531 10.416 1.00 0.00 H new ATOM 0 HA3 GLY A 29 4.651 -19.864 11.115 1.00 0.00 H new ATOM 446 N ASN A 30 3.647 -19.270 8.956 1.00 0.00 N ATOM 447 CA ASN A 30 2.958 -18.926 7.749 1.00 0.00 C ATOM 448 C ASN A 30 2.208 -17.613 7.948 1.00 0.00 C ATOM 449 O ASN A 30 1.530 -17.263 6.983 1.00 0.00 O ATOM 450 CB ASN A 30 1.864 -19.933 7.373 1.00 0.00 C ATOM 451 CG ASN A 30 2.435 -21.297 7.071 1.00 0.00 C ATOM 452 OD1 ASN A 30 2.579 -22.173 7.921 1.00 0.00 O ATOM 453 ND2 ASN A 30 2.770 -21.465 5.770 1.00 0.00 N ATOM 0 H ASN A 30 3.035 -19.542 9.725 1.00 0.00 H new ATOM 0 HA ASN A 30 3.726 -18.888 6.976 1.00 0.00 H new ATOM 0 HB2 ASN A 30 1.147 -20.012 8.190 1.00 0.00 H new ATOM 0 HB3 ASN A 30 1.317 -19.568 6.504 1.00 0.00 H new ATOM 0 HD21 ASN A 30 3.163 -22.352 5.455 1.00 0.00 H new ATOM 0 HD22 ASN A 30 2.630 -20.704 5.105 1.00 0.00 H new ATOM 460 N LYS A 31 2.356 -16.984 9.103 1.00 0.00 N ATOM 461 CA LYS A 31 1.596 -15.731 9.187 1.00 0.00 C ATOM 462 C LYS A 31 2.597 -14.839 8.422 1.00 0.00 C ATOM 463 O LYS A 31 3.782 -15.061 8.652 1.00 0.00 O ATOM 464 CB LYS A 31 1.316 -15.237 10.570 1.00 0.00 C ATOM 465 CG LYS A 31 -0.030 -15.853 11.047 1.00 0.00 C ATOM 466 CD LYS A 31 -0.186 -15.649 12.540 1.00 0.00 C ATOM 467 CE LYS A 31 -0.945 -16.810 13.140 1.00 0.00 C ATOM 468 NZ LYS A 31 -0.556 -17.196 14.516 1.00 0.00 N ATOM 0 H LYS A 31 2.918 -17.265 9.907 1.00 0.00 H new ATOM 0 HA LYS A 31 0.579 -15.788 8.800 1.00 0.00 H new ATOM 0 HB2 LYS A 31 2.123 -15.521 11.245 1.00 0.00 H new ATOM 0 HB3 LYS A 31 1.260 -14.148 10.580 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -0.862 -15.387 10.518 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -0.058 -16.917 10.811 1.00 0.00 H new ATOM 0 HD2 LYS A 31 0.794 -15.563 13.009 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -0.716 -14.717 12.735 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -2.007 -16.564 13.139 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -0.818 -17.676 12.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -1.137 -18.000 14.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 0.448 -17.469 14.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -0.705 -16.391 15.158 1.00 0.00 H new ATOM 482 N PHE A 32 2.077 -13.949 7.613 1.00 0.00 N ATOM 483 CA PHE A 32 3.080 -13.131 6.904 1.00 0.00 C ATOM 484 C PHE A 32 2.210 -11.854 6.807 1.00 0.00 C ATOM 485 O PHE A 32 1.355 -11.772 5.978 1.00 0.00 O ATOM 486 CB PHE A 32 3.514 -13.771 5.641 1.00 0.00 C ATOM 487 CG PHE A 32 3.927 -12.737 4.609 1.00 0.00 C ATOM 488 CD1 PHE A 32 3.071 -12.049 3.806 1.00 0.00 C ATOM 489 CD2 PHE A 32 5.271 -12.465 4.459 1.00 0.00 C ATOM 490 CE1 PHE A 32 3.565 -11.117 2.885 1.00 0.00 C ATOM 491 CE2 PHE A 32 5.638 -11.522 3.518 1.00 0.00 C ATOM 492 CZ PHE A 32 4.905 -10.890 2.786 1.00 0.00 C ATOM 0 H PHE A 32 1.090 -13.768 7.428 1.00 0.00 H new ATOM 0 HA PHE A 32 4.059 -12.964 7.353 1.00 0.00 H new ATOM 0 HB2 PHE A 32 4.349 -14.442 5.840 1.00 0.00 H new ATOM 0 HB3 PHE A 32 2.703 -14.381 5.243 1.00 0.00 H new ATOM 0 HD1 PHE A 32 2.007 -12.222 3.879 1.00 0.00 H new ATOM 0 HD2 PHE A 32 6.013 -12.973 5.058 1.00 0.00 H new ATOM 0 HE1 PHE A 32 2.880 -10.575 2.250 1.00 0.00 H new ATOM 0 HE2 PHE A 32 6.696 -11.325 3.423 1.00 0.00 H new ATOM 0 HZ PHE A 32 5.300 -10.173 2.081 1.00 0.00 H new ATOM 502 N THR A 33 2.656 -11.048 7.773 1.00 0.00 N ATOM 503 CA THR A 33 1.918 -9.796 7.807 1.00 0.00 C ATOM 504 C THR A 33 2.876 -8.846 7.102 1.00 0.00 C ATOM 505 O THR A 33 4.089 -8.968 7.270 1.00 0.00 O ATOM 506 CB THR A 33 1.667 -9.474 9.243 1.00 0.00 C ATOM 507 OG1 THR A 33 0.289 -9.548 9.575 1.00 0.00 O ATOM 508 CG2 THR A 33 2.035 -8.041 9.571 1.00 0.00 C ATOM 0 H THR A 33 3.407 -11.202 8.446 1.00 0.00 H new ATOM 0 HA THR A 33 0.940 -9.774 7.327 1.00 0.00 H new ATOM 0 HB THR A 33 2.267 -10.200 9.791 1.00 0.00 H new ATOM 0 HG1 THR A 33 0.169 -9.332 10.523 1.00 0.00 H new ATOM 0 HG21 THR A 33 1.837 -7.847 10.625 1.00 0.00 H new ATOM 0 HG22 THR A 33 3.093 -7.881 9.365 1.00 0.00 H new ATOM 0 HG23 THR A 33 1.439 -7.363 8.959 1.00 0.00 H new ATOM 516 N VAL A 34 2.223 -7.984 6.378 1.00 0.00 N ATOM 517 CA VAL A 34 3.066 -6.995 5.644 1.00 0.00 C ATOM 518 C VAL A 34 2.687 -5.752 6.389 1.00 0.00 C ATOM 519 O VAL A 34 1.584 -5.608 6.891 1.00 0.00 O ATOM 520 CB VAL A 34 2.549 -7.126 4.240 1.00 0.00 C ATOM 521 CG1 VAL A 34 2.458 -5.861 3.409 1.00 0.00 C ATOM 522 CG2 VAL A 34 3.372 -8.105 3.375 1.00 0.00 C ATOM 0 H VAL A 34 1.212 -7.916 6.263 1.00 0.00 H new ATOM 0 HA VAL A 34 4.152 -7.070 5.593 1.00 0.00 H new ATOM 0 HB VAL A 34 1.541 -7.481 4.454 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.070 -6.103 2.420 1.00 0.00 H new ATOM 0 HG12 VAL A 34 1.790 -5.152 3.898 1.00 0.00 H new ATOM 0 HG13 VAL A 34 3.449 -5.418 3.311 1.00 0.00 H new ATOM 0 HG21 VAL A 34 2.945 -8.153 2.373 1.00 0.00 H new ATOM 0 HG22 VAL A 34 4.403 -7.758 3.314 1.00 0.00 H new ATOM 0 HG23 VAL A 34 3.349 -9.097 3.827 1.00 0.00 H new ATOM 532 N LYS A 35 3.694 -4.857 6.425 1.00 0.00 N ATOM 533 CA LYS A 35 3.457 -3.618 7.125 1.00 0.00 C ATOM 534 C LYS A 35 2.838 -2.512 6.329 1.00 0.00 C ATOM 535 O LYS A 35 3.174 -1.365 6.322 1.00 0.00 O ATOM 536 CB LYS A 35 4.717 -3.190 7.931 1.00 0.00 C ATOM 537 CG LYS A 35 4.480 -1.985 8.888 1.00 0.00 C ATOM 538 CD LYS A 35 5.257 -1.923 10.179 1.00 0.00 C ATOM 539 CE LYS A 35 4.410 -1.467 11.367 1.00 0.00 C ATOM 540 NZ LYS A 35 4.756 -0.089 11.738 1.00 0.00 N ATOM 0 H LYS A 35 4.615 -4.971 6.002 1.00 0.00 H new ATOM 0 HA LYS A 35 2.660 -3.839 7.835 1.00 0.00 H new ATOM 0 HB2 LYS A 35 5.068 -4.041 8.515 1.00 0.00 H new ATOM 0 HB3 LYS A 35 5.513 -2.934 7.232 1.00 0.00 H new ATOM 0 HG2 LYS A 35 4.692 -1.073 8.330 1.00 0.00 H new ATOM 0 HG3 LYS A 35 3.419 -1.966 9.139 1.00 0.00 H new ATOM 0 HD2 LYS A 35 5.673 -2.907 10.393 1.00 0.00 H new ATOM 0 HD3 LYS A 35 6.099 -1.241 10.057 1.00 0.00 H new ATOM 0 HE2 LYS A 35 3.352 -1.528 11.113 1.00 0.00 H new ATOM 0 HE3 LYS A 35 4.573 -2.132 12.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 4.735 0.007 12.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 5.709 0.136 11.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 4.069 0.567 11.315 1.00 0.00 H new ATOM 554 N GLU A 36 1.803 -2.936 5.575 1.00 0.00 N ATOM 555 CA GLU A 36 1.086 -2.003 4.747 1.00 0.00 C ATOM 556 C GLU A 36 0.480 -0.896 5.619 1.00 0.00 C ATOM 557 O GLU A 36 -0.693 -1.049 5.988 1.00 0.00 O ATOM 558 CB GLU A 36 -0.103 -2.846 4.188 1.00 0.00 C ATOM 559 CG GLU A 36 0.107 -3.445 2.793 1.00 0.00 C ATOM 560 CD GLU A 36 -0.557 -2.486 1.791 1.00 0.00 C ATOM 561 OE1 GLU A 36 -0.521 -1.268 1.952 1.00 0.00 O ATOM 562 OE2 GLU A 36 -1.106 -3.032 0.851 1.00 0.00 O ATOM 0 H GLU A 36 1.467 -3.898 5.536 1.00 0.00 H new ATOM 0 HA GLU A 36 1.723 -1.551 3.987 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -0.308 -3.658 4.885 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -0.992 -2.215 4.163 1.00 0.00 H new ATOM 0 HG2 GLU A 36 1.169 -3.555 2.576 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -0.336 -4.439 2.729 1.00 0.00 H new ATOM 569 N SER A 37 1.279 0.147 5.906 1.00 0.00 N ATOM 570 CA SER A 37 0.719 1.196 6.735 1.00 0.00 C ATOM 571 C SER A 37 0.200 2.353 5.921 1.00 0.00 C ATOM 572 O SER A 37 1.002 2.987 5.238 1.00 0.00 O ATOM 573 CB SER A 37 1.843 1.570 7.712 1.00 0.00 C ATOM 574 OG SER A 37 1.562 2.854 8.216 1.00 0.00 O ATOM 0 H SER A 37 2.243 0.273 5.597 1.00 0.00 H new ATOM 0 HA SER A 37 -0.166 0.867 7.279 1.00 0.00 H new ATOM 0 HB2 SER A 37 1.901 0.845 8.524 1.00 0.00 H new ATOM 0 HB3 SER A 37 2.808 1.560 7.206 1.00 0.00 H new ATOM 0 HG SER A 37 2.264 3.119 8.846 1.00 0.00 H new ATOM 580 N SER A 38 -1.125 2.637 5.989 1.00 0.00 N ATOM 581 CA SER A 38 -1.631 3.755 5.207 1.00 0.00 C ATOM 582 C SER A 38 -1.919 4.938 6.096 1.00 0.00 C ATOM 583 O SER A 38 -1.354 5.056 7.174 1.00 0.00 O ATOM 584 CB SER A 38 -2.920 3.278 4.523 1.00 0.00 C ATOM 585 OG SER A 38 -2.854 3.549 3.134 1.00 0.00 O ATOM 0 H SER A 38 -1.814 2.132 6.546 1.00 0.00 H new ATOM 0 HA SER A 38 -0.893 4.073 4.471 1.00 0.00 H new ATOM 0 HB2 SER A 38 -3.056 2.209 4.688 1.00 0.00 H new ATOM 0 HB3 SER A 38 -3.782 3.781 4.961 1.00 0.00 H new ATOM 0 HG SER A 38 -3.678 3.241 2.701 1.00 0.00 H new ATOM 591 N ASN A 39 -2.835 5.793 5.557 1.00 0.00 N ATOM 592 CA ASN A 39 -3.238 6.988 6.275 1.00 0.00 C ATOM 593 C ASN A 39 -4.254 6.590 7.374 1.00 0.00 C ATOM 594 O ASN A 39 -4.127 7.093 8.478 1.00 0.00 O ATOM 595 CB ASN A 39 -3.929 7.962 5.360 1.00 0.00 C ATOM 596 CG ASN A 39 -4.573 9.096 6.170 1.00 0.00 C ATOM 597 OD1 ASN A 39 -4.019 9.678 7.101 1.00 0.00 O ATOM 598 ND2 ASN A 39 -5.822 9.380 5.756 1.00 0.00 N ATOM 0 H ASN A 39 -3.285 5.663 4.651 1.00 0.00 H new ATOM 0 HA ASN A 39 -2.344 7.450 6.695 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -3.212 8.375 4.651 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -4.691 7.445 4.777 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -6.359 10.112 6.221 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -6.231 8.864 4.977 1.00 0.00 H new ATOM 605 N PHE A 40 -5.134 5.719 6.880 1.00 0.00 N ATOM 606 CA PHE A 40 -6.169 5.211 7.740 1.00 0.00 C ATOM 607 C PHE A 40 -5.551 4.809 9.090 1.00 0.00 C ATOM 608 O PHE A 40 -5.890 5.445 10.061 1.00 0.00 O ATOM 609 CB PHE A 40 -6.895 4.005 7.082 1.00 0.00 C ATOM 610 CG PHE A 40 -8.252 4.413 6.629 1.00 0.00 C ATOM 611 CD1 PHE A 40 -9.181 4.981 7.474 1.00 0.00 C ATOM 612 CD2 PHE A 40 -8.636 4.239 5.331 1.00 0.00 C ATOM 613 CE1 PHE A 40 -10.434 5.329 6.958 1.00 0.00 C ATOM 614 CE2 PHE A 40 -9.885 4.617 4.943 1.00 0.00 C ATOM 615 CZ PHE A 40 -10.732 5.112 5.641 1.00 0.00 C ATOM 0 H PHE A 40 -5.143 5.368 5.922 1.00 0.00 H new ATOM 0 HA PHE A 40 -6.914 5.990 7.904 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -6.315 3.639 6.235 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -6.972 3.184 7.794 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -8.946 5.154 8.514 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -7.953 3.804 4.616 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -11.174 5.774 7.607 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -10.142 4.457 3.906 1.00 0.00 H new ATOM 0 HZ PHE A 40 -11.699 5.377 5.239 1.00 0.00 H new ATOM 625 N ARG A 41 -4.695 3.801 9.060 1.00 0.00 N ATOM 626 CA ARG A 41 -4.008 3.289 10.208 1.00 0.00 C ATOM 627 C ARG A 41 -2.818 2.434 9.799 1.00 0.00 C ATOM 628 O ARG A 41 -2.425 2.564 8.625 1.00 0.00 O ATOM 629 CB ARG A 41 -4.937 2.397 11.038 1.00 0.00 C ATOM 630 CG ARG A 41 -6.166 3.102 11.627 1.00 0.00 C ATOM 631 CD ARG A 41 -7.386 3.055 10.696 1.00 0.00 C ATOM 632 NE ARG A 41 -8.145 4.265 11.011 1.00 0.00 N ATOM 633 CZ ARG A 41 -9.138 4.219 11.914 1.00 0.00 C ATOM 634 NH1 ARG A 41 -9.513 3.135 12.572 1.00 0.00 N ATOM 635 NH2 ARG A 41 -9.813 5.331 12.189 1.00 0.00 N ATOM 0 H ARG A 41 -4.459 3.307 8.199 1.00 0.00 H new ATOM 0 HA ARG A 41 -3.675 4.151 10.787 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -5.277 1.572 10.412 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -4.362 1.961 11.855 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -6.424 2.637 12.579 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -5.916 4.142 11.837 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -7.084 3.039 9.649 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -7.981 2.159 10.869 1.00 0.00 H new ATOM 0 HE ARG A 41 -7.920 5.144 10.545 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -9.036 2.248 12.408 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -10.279 3.185 13.243 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -9.574 6.203 11.716 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -10.570 5.312 12.872 1.00 0.00 H new ATOM 649 N ASN A 42 -2.273 1.620 10.690 1.00 0.00 N ATOM 650 CA ASN A 42 -1.152 0.851 10.195 1.00 0.00 C ATOM 651 C ASN A 42 -1.793 -0.306 9.388 1.00 0.00 C ATOM 652 O ASN A 42 -1.094 -0.928 8.611 1.00 0.00 O ATOM 653 CB ASN A 42 -0.206 0.320 11.245 1.00 0.00 C ATOM 654 CG ASN A 42 -0.067 -1.209 11.189 1.00 0.00 C ATOM 655 OD1 ASN A 42 0.796 -1.844 10.604 1.00 0.00 O ATOM 656 ND2 ASN A 42 -1.062 -1.766 11.893 1.00 0.00 N ATOM 0 H ASN A 42 -2.553 1.482 11.661 1.00 0.00 H new ATOM 0 HA ASN A 42 -0.508 1.501 9.603 1.00 0.00 H new ATOM 0 HB2 ASN A 42 0.775 0.776 11.111 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -0.562 0.614 12.233 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -1.130 -2.781 11.964 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -1.751 -1.175 12.358 1.00 0.00 H new ATOM 663 N ILE A 43 -3.066 -0.387 9.718 1.00 0.00 N ATOM 664 CA ILE A 43 -3.971 -1.364 9.130 1.00 0.00 C ATOM 665 C ILE A 43 -3.231 -2.399 8.354 1.00 0.00 C ATOM 666 O ILE A 43 -3.188 -2.628 7.153 1.00 0.00 O ATOM 667 CB ILE A 43 -4.878 -0.468 8.255 1.00 0.00 C ATOM 668 CG1 ILE A 43 -5.886 -1.231 7.431 1.00 0.00 C ATOM 669 CG2 ILE A 43 -3.990 0.276 7.248 1.00 0.00 C ATOM 670 CD1 ILE A 43 -6.297 -0.629 6.068 1.00 0.00 C ATOM 0 H ILE A 43 -3.508 0.224 10.405 1.00 0.00 H new ATOM 0 HA ILE A 43 -4.534 -1.953 9.853 1.00 0.00 H new ATOM 0 HB ILE A 43 -5.417 0.182 8.944 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -5.487 -2.229 7.251 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -6.788 -1.352 8.031 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -4.610 0.915 6.619 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -3.265 0.888 7.785 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -3.464 -0.446 6.624 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -7.025 -1.282 5.587 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -6.739 0.355 6.223 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -5.417 -0.535 5.431 1.00 0.00 H new ATOM 682 N ASP A 44 -2.510 -3.171 9.204 1.00 0.00 N ATOM 683 CA ASP A 44 -1.693 -4.254 8.735 1.00 0.00 C ATOM 684 C ASP A 44 -2.585 -5.252 8.009 1.00 0.00 C ATOM 685 O ASP A 44 -3.748 -5.361 8.348 1.00 0.00 O ATOM 686 CB ASP A 44 -1.031 -5.045 9.867 1.00 0.00 C ATOM 687 CG ASP A 44 -1.943 -5.164 11.088 1.00 0.00 C ATOM 688 OD1 ASP A 44 -3.110 -5.550 10.955 1.00 0.00 O ATOM 689 OD2 ASP A 44 -1.442 -4.848 12.181 1.00 0.00 O ATOM 0 H ASP A 44 -2.496 -3.042 10.216 1.00 0.00 H new ATOM 0 HA ASP A 44 -0.922 -3.809 8.106 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -0.771 -6.041 9.510 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -0.100 -4.556 10.155 1.00 0.00 H new ATOM 694 N VAL A 45 -1.895 -5.873 7.062 1.00 0.00 N ATOM 695 CA VAL A 45 -2.589 -6.873 6.251 1.00 0.00 C ATOM 696 C VAL A 45 -2.072 -8.210 6.784 1.00 0.00 C ATOM 697 O VAL A 45 -0.903 -8.483 6.645 1.00 0.00 O ATOM 698 CB VAL A 45 -2.395 -6.705 4.772 1.00 0.00 C ATOM 699 CG1 VAL A 45 -0.990 -7.087 4.214 1.00 0.00 C ATOM 700 CG2 VAL A 45 -3.353 -7.567 3.927 1.00 0.00 C ATOM 0 H VAL A 45 -0.911 -5.718 6.841 1.00 0.00 H new ATOM 0 HA VAL A 45 -3.671 -6.783 6.346 1.00 0.00 H new ATOM 0 HB VAL A 45 -2.571 -5.633 4.679 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -0.970 -6.924 3.136 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -0.229 -6.468 4.689 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -0.787 -8.137 4.426 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -3.158 -7.396 2.868 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -3.196 -8.620 4.160 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -4.384 -7.295 4.154 1.00 0.00 H new ATOM 710 N VAL A 46 -3.017 -8.974 7.377 1.00 0.00 N ATOM 711 CA VAL A 46 -2.516 -10.243 7.879 1.00 0.00 C ATOM 712 C VAL A 46 -3.335 -11.446 7.482 1.00 0.00 C ATOM 713 O VAL A 46 -4.480 -11.352 7.088 1.00 0.00 O ATOM 714 CB VAL A 46 -2.651 -10.111 9.436 1.00 0.00 C ATOM 715 CG1 VAL A 46 -4.079 -9.899 9.896 1.00 0.00 C ATOM 716 CG2 VAL A 46 -2.244 -11.399 10.157 1.00 0.00 C ATOM 0 H VAL A 46 -4.007 -8.763 7.505 1.00 0.00 H new ATOM 0 HA VAL A 46 -1.514 -10.407 7.483 1.00 0.00 H new ATOM 0 HB VAL A 46 -2.012 -9.261 9.672 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.103 -9.816 10.983 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -4.472 -8.984 9.453 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -4.691 -10.745 9.584 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -2.353 -11.264 11.233 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -2.884 -12.218 9.828 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -1.205 -11.634 9.924 1.00 0.00 H new ATOM 726 N PHE A 47 -2.593 -12.565 7.640 1.00 0.00 N ATOM 727 CA PHE A 47 -3.262 -13.774 7.293 1.00 0.00 C ATOM 728 C PHE A 47 -2.325 -14.974 7.435 1.00 0.00 C ATOM 729 O PHE A 47 -1.257 -14.729 8.018 1.00 0.00 O ATOM 730 CB PHE A 47 -3.597 -13.774 5.780 1.00 0.00 C ATOM 731 CG PHE A 47 -2.461 -13.079 5.048 1.00 0.00 C ATOM 732 CD1 PHE A 47 -1.305 -13.714 4.718 1.00 0.00 C ATOM 733 CD2 PHE A 47 -2.589 -11.753 4.694 1.00 0.00 C ATOM 734 CE1 PHE A 47 -0.315 -13.022 4.060 1.00 0.00 C ATOM 735 CE2 PHE A 47 -1.560 -11.123 4.041 1.00 0.00 C ATOM 736 CZ PHE A 47 -0.428 -11.853 3.754 1.00 0.00 C ATOM 0 H PHE A 47 -1.631 -12.632 7.972 1.00 0.00 H new ATOM 0 HA PHE A 47 -4.137 -13.839 7.940 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -3.717 -14.794 5.416 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -4.540 -13.258 5.598 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -1.165 -14.755 4.971 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -3.494 -11.213 4.929 1.00 0.00 H new ATOM 0 HE1 PHE A 47 0.598 -13.539 3.806 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -1.636 -10.083 3.760 1.00 0.00 H new ATOM 0 HZ PHE A 47 0.388 -11.368 3.239 1.00 0.00 H new ATOM 746 N GLU A 48 -2.754 -16.140 6.921 1.00 0.00 N ATOM 747 CA GLU A 48 -1.879 -17.262 7.054 1.00 0.00 C ATOM 748 C GLU A 48 -1.545 -17.997 5.725 1.00 0.00 C ATOM 749 O GLU A 48 -2.210 -18.999 5.477 1.00 0.00 O ATOM 750 CB GLU A 48 -2.714 -18.216 7.956 1.00 0.00 C ATOM 751 CG GLU A 48 -3.193 -17.566 9.237 1.00 0.00 C ATOM 752 CD GLU A 48 -4.690 -17.324 9.230 1.00 0.00 C ATOM 753 OE1 GLU A 48 -5.451 -18.296 9.037 1.00 0.00 O ATOM 754 OE2 GLU A 48 -5.196 -16.223 9.402 1.00 0.00 O ATOM 0 H GLU A 48 -3.642 -16.304 6.446 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.907 -16.949 7.437 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -3.577 -18.573 7.394 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.111 -19.090 8.204 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -2.933 -18.201 10.084 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -2.674 -16.618 9.378 1.00 0.00 H new ATOM 761 N LEU A 49 -0.561 -17.370 5.090 1.00 0.00 N ATOM 762 CA LEU A 49 0.001 -17.777 3.831 1.00 0.00 C ATOM 763 C LEU A 49 -0.578 -19.029 3.211 1.00 0.00 C ATOM 764 O LEU A 49 -0.439 -20.164 3.622 1.00 0.00 O ATOM 765 CB LEU A 49 1.526 -17.873 4.132 1.00 0.00 C ATOM 766 CG LEU A 49 2.288 -18.332 2.925 1.00 0.00 C ATOM 767 CD1 LEU A 49 1.712 -17.710 1.619 1.00 0.00 C ATOM 768 CD2 LEU A 49 3.785 -17.921 2.825 1.00 0.00 C ATOM 0 H LEU A 49 -0.122 -16.529 5.465 1.00 0.00 H new ATOM 0 HA LEU A 49 -0.243 -17.058 3.049 1.00 0.00 H new ATOM 0 HB2 LEU A 49 1.898 -16.900 4.452 1.00 0.00 H new ATOM 0 HB3 LEU A 49 1.694 -18.566 4.957 1.00 0.00 H new ATOM 0 HG LEU A 49 2.194 -19.412 3.034 1.00 0.00 H new ATOM 0 HD11 LEU A 49 2.287 -18.063 0.763 1.00 0.00 H new ATOM 0 HD12 LEU A 49 0.670 -18.007 1.503 1.00 0.00 H new ATOM 0 HD13 LEU A 49 1.775 -16.623 1.675 1.00 0.00 H new ATOM 0 HD21 LEU A 49 4.211 -18.320 1.904 1.00 0.00 H new ATOM 0 HD22 LEU A 49 3.864 -16.834 2.821 1.00 0.00 H new ATOM 0 HD23 LEU A 49 4.330 -18.321 3.680 1.00 0.00 H new ATOM 780 N GLY A 50 -1.289 -18.761 2.135 1.00 0.00 N ATOM 781 CA GLY A 50 -1.937 -19.835 1.385 1.00 0.00 C ATOM 782 C GLY A 50 -3.378 -19.851 1.925 1.00 0.00 C ATOM 783 O GLY A 50 -3.866 -20.948 2.009 1.00 0.00 O ATOM 0 H GLY A 50 -1.436 -17.825 1.758 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -1.915 -19.642 0.312 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -1.440 -20.791 1.547 1.00 0.00 H new ATOM 787 N VAL A 51 -3.878 -18.666 2.220 1.00 0.00 N ATOM 788 CA VAL A 51 -5.209 -18.430 2.744 1.00 0.00 C ATOM 789 C VAL A 51 -6.014 -17.338 2.087 1.00 0.00 C ATOM 790 O VAL A 51 -5.631 -16.179 2.177 1.00 0.00 O ATOM 791 CB VAL A 51 -5.176 -18.193 4.254 1.00 0.00 C ATOM 792 CG1 VAL A 51 -6.224 -17.249 4.798 1.00 0.00 C ATOM 793 CG2 VAL A 51 -5.501 -19.484 5.033 1.00 0.00 C ATOM 0 H VAL A 51 -3.345 -17.805 2.096 1.00 0.00 H new ATOM 0 HA VAL A 51 -5.732 -19.354 2.498 1.00 0.00 H new ATOM 0 HB VAL A 51 -4.171 -17.794 4.387 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -6.105 -17.157 5.878 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -6.107 -16.269 4.335 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -7.217 -17.640 4.574 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -5.469 -19.281 6.103 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -6.497 -19.833 4.759 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -4.767 -20.252 4.787 1.00 0.00 H new ATOM 803 N ASP A 52 -7.099 -17.854 1.465 1.00 0.00 N ATOM 804 CA ASP A 52 -7.955 -16.879 0.790 1.00 0.00 C ATOM 805 C ASP A 52 -8.924 -16.279 1.850 1.00 0.00 C ATOM 806 O ASP A 52 -9.146 -16.877 2.888 1.00 0.00 O ATOM 807 CB ASP A 52 -8.637 -17.449 -0.435 1.00 0.00 C ATOM 808 CG ASP A 52 -10.099 -17.841 -0.203 1.00 0.00 C ATOM 809 OD1 ASP A 52 -10.970 -16.999 -0.373 1.00 0.00 O ATOM 810 OD2 ASP A 52 -10.395 -18.982 0.144 1.00 0.00 O ATOM 0 H ASP A 52 -7.376 -18.835 1.419 1.00 0.00 H new ATOM 0 HA ASP A 52 -7.354 -16.068 0.379 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -8.591 -16.715 -1.240 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -8.085 -18.326 -0.772 1.00 0.00 H new ATOM 815 N PHE A 53 -9.432 -15.093 1.466 1.00 0.00 N ATOM 816 CA PHE A 53 -10.322 -14.558 2.462 1.00 0.00 C ATOM 817 C PHE A 53 -11.055 -13.306 2.003 1.00 0.00 C ATOM 818 O PHE A 53 -10.657 -12.705 1.021 1.00 0.00 O ATOM 819 CB PHE A 53 -9.571 -14.122 3.729 1.00 0.00 C ATOM 820 CG PHE A 53 -8.468 -13.149 3.360 1.00 0.00 C ATOM 821 CD1 PHE A 53 -7.377 -13.574 2.598 1.00 0.00 C ATOM 822 CD2 PHE A 53 -8.428 -11.819 3.716 1.00 0.00 C ATOM 823 CE1 PHE A 53 -6.368 -12.665 2.266 1.00 0.00 C ATOM 824 CE2 PHE A 53 -7.394 -11.007 3.338 1.00 0.00 C ATOM 825 CZ PHE A 53 -6.343 -11.496 2.581 1.00 0.00 C ATOM 0 H PHE A 53 -9.268 -14.567 0.607 1.00 0.00 H new ATOM 0 HA PHE A 53 -11.018 -15.375 2.650 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -10.262 -13.654 4.430 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -9.148 -14.993 4.231 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -7.313 -14.600 2.267 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -9.232 -11.407 4.308 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -5.541 -13.037 1.679 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -7.398 -9.969 3.635 1.00 0.00 H new ATOM 0 HZ PHE A 53 -5.527 -10.855 2.281 1.00 0.00 H new ATOM 835 N ALA A 54 -12.114 -12.947 2.729 1.00 0.00 N ATOM 836 CA ALA A 54 -12.891 -11.746 2.356 1.00 0.00 C ATOM 837 C ALA A 54 -12.901 -10.989 3.723 1.00 0.00 C ATOM 838 O ALA A 54 -13.887 -11.065 4.442 1.00 0.00 O ATOM 839 CB ALA A 54 -14.271 -12.069 1.859 1.00 0.00 C ATOM 0 H ALA A 54 -12.452 -13.445 3.552 1.00 0.00 H new ATOM 0 HA ALA A 54 -12.474 -11.179 1.524 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -14.790 -11.146 1.602 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -14.200 -12.704 0.976 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -14.825 -12.592 2.638 1.00 0.00 H new ATOM 845 N TYR A 55 -11.769 -10.312 3.947 1.00 0.00 N ATOM 846 CA TYR A 55 -11.711 -9.573 5.220 1.00 0.00 C ATOM 847 C TYR A 55 -11.951 -8.087 4.996 1.00 0.00 C ATOM 848 O TYR A 55 -11.273 -7.486 4.192 1.00 0.00 O ATOM 849 CB TYR A 55 -10.400 -9.912 5.928 1.00 0.00 C ATOM 850 CG TYR A 55 -10.441 -9.580 7.399 1.00 0.00 C ATOM 851 CD1 TYR A 55 -11.309 -10.251 8.271 1.00 0.00 C ATOM 852 CD2 TYR A 55 -9.652 -8.619 7.977 1.00 0.00 C ATOM 853 CE1 TYR A 55 -11.278 -9.879 9.597 1.00 0.00 C ATOM 854 CE2 TYR A 55 -9.696 -8.310 9.316 1.00 0.00 C ATOM 855 CZ TYR A 55 -10.433 -8.880 10.069 1.00 0.00 C ATOM 856 OH TYR A 55 -10.424 -8.525 11.396 1.00 0.00 O ATOM 0 H TYR A 55 -10.954 -10.256 3.336 1.00 0.00 H new ATOM 0 HA TYR A 55 -12.516 -9.881 5.887 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -10.186 -10.974 5.803 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -9.583 -9.365 5.457 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -11.973 -11.026 7.919 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -8.961 -8.077 7.348 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -11.933 -10.380 10.294 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -9.050 -7.534 9.699 1.00 0.00 H new ATOM 0 HH TYR A 55 -9.769 -7.810 11.539 1.00 0.00 H new ATOM 866 N SER A 56 -12.928 -7.610 5.755 1.00 0.00 N ATOM 867 CA SER A 56 -13.151 -6.169 5.536 1.00 0.00 C ATOM 868 C SER A 56 -12.053 -5.430 6.317 1.00 0.00 C ATOM 869 O SER A 56 -11.355 -6.121 7.057 1.00 0.00 O ATOM 870 CB SER A 56 -14.572 -5.843 5.952 1.00 0.00 C ATOM 871 OG SER A 56 -14.702 -4.482 6.299 1.00 0.00 O ATOM 0 H SER A 56 -13.509 -8.102 6.434 1.00 0.00 H new ATOM 0 HA SER A 56 -13.071 -5.855 4.495 1.00 0.00 H new ATOM 0 HB2 SER A 56 -15.256 -6.080 5.137 1.00 0.00 H new ATOM 0 HB3 SER A 56 -14.858 -6.466 6.799 1.00 0.00 H new ATOM 0 HG SER A 56 -15.628 -4.298 6.562 1.00 0.00 H new ATOM 877 N LEU A 57 -11.960 -4.114 6.115 1.00 0.00 N ATOM 878 CA LEU A 57 -10.982 -3.251 6.763 1.00 0.00 C ATOM 879 C LEU A 57 -11.556 -1.841 6.899 1.00 0.00 C ATOM 880 O LEU A 57 -12.689 -1.684 6.448 1.00 0.00 O ATOM 881 CB LEU A 57 -9.680 -3.250 5.981 1.00 0.00 C ATOM 882 CG LEU A 57 -8.667 -4.153 6.688 1.00 0.00 C ATOM 883 CD1 LEU A 57 -7.302 -4.110 6.005 1.00 0.00 C ATOM 884 CD2 LEU A 57 -8.341 -3.675 8.100 1.00 0.00 C ATOM 0 H LEU A 57 -12.580 -3.611 5.480 1.00 0.00 H new ATOM 0 HA LEU A 57 -10.764 -3.630 7.762 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -9.852 -3.603 4.964 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -9.289 -2.235 5.904 1.00 0.00 H new ATOM 0 HG LEU A 57 -9.137 -5.136 6.671 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -6.609 -4.763 6.535 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -7.401 -4.447 4.973 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -6.920 -3.089 6.019 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -7.618 -4.352 8.555 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -7.920 -2.670 8.056 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -9.252 -3.661 8.699 1.00 0.00 H new ATOM 896 N ALA A 58 -10.772 -0.952 7.482 1.00 0.00 N ATOM 897 CA ALA A 58 -11.153 0.425 7.687 1.00 0.00 C ATOM 898 C ALA A 58 -12.613 0.566 8.093 1.00 0.00 C ATOM 899 O ALA A 58 -12.879 0.365 9.296 1.00 0.00 O ATOM 900 CB ALA A 58 -10.888 1.205 6.395 1.00 0.00 C ATOM 0 H ALA A 58 -9.839 -1.175 7.830 1.00 0.00 H new ATOM 0 HA ALA A 58 -10.557 0.827 8.506 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -11.171 2.248 6.535 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -9.828 1.147 6.146 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -11.475 0.775 5.584 1.00 0.00 H new ATOM 906 N ASP A 59 -13.522 0.890 7.163 1.00 0.00 N ATOM 907 CA ASP A 59 -14.932 1.027 7.540 1.00 0.00 C ATOM 908 C ASP A 59 -15.870 0.353 6.563 1.00 0.00 C ATOM 909 O ASP A 59 -17.000 0.773 6.439 1.00 0.00 O ATOM 910 CB ASP A 59 -15.297 2.508 7.690 1.00 0.00 C ATOM 911 CG ASP A 59 -16.126 2.739 8.941 1.00 0.00 C ATOM 912 OD1 ASP A 59 -17.257 2.258 8.907 1.00 0.00 O ATOM 913 OD2 ASP A 59 -15.711 3.358 9.902 1.00 0.00 O ATOM 0 H ASP A 59 -13.316 1.057 6.178 1.00 0.00 H new ATOM 0 HA ASP A 59 -15.055 0.519 8.497 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -14.388 3.108 7.736 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -15.854 2.840 6.814 1.00 0.00 H new ATOM 918 N GLY A 60 -15.322 -0.698 5.895 1.00 0.00 N ATOM 919 CA GLY A 60 -16.154 -1.391 4.935 1.00 0.00 C ATOM 920 C GLY A 60 -15.416 -1.282 3.589 1.00 0.00 C ATOM 921 O GLY A 60 -15.875 -0.557 2.704 1.00 0.00 O ATOM 0 H GLY A 60 -14.371 -1.049 6.006 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -16.296 -2.433 5.220 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -17.144 -0.939 4.876 1.00 0.00 H new ATOM 925 N THR A 61 -14.310 -2.012 3.496 1.00 0.00 N ATOM 926 CA THR A 61 -13.447 -2.079 2.337 1.00 0.00 C ATOM 927 C THR A 61 -13.689 -3.432 1.619 1.00 0.00 C ATOM 928 O THR A 61 -13.858 -3.465 0.406 1.00 0.00 O ATOM 929 CB THR A 61 -11.990 -1.818 2.717 1.00 0.00 C ATOM 930 OG1 THR A 61 -11.398 -2.848 3.425 1.00 0.00 O ATOM 931 CG2 THR A 61 -11.869 -0.492 3.510 1.00 0.00 C ATOM 0 H THR A 61 -13.982 -2.597 4.264 1.00 0.00 H new ATOM 0 HA THR A 61 -13.690 -1.287 1.628 1.00 0.00 H new ATOM 0 HB THR A 61 -11.446 -1.745 1.775 1.00 0.00 H new ATOM 0 HG1 THR A 61 -11.371 -3.654 2.869 1.00 0.00 H new ATOM 0 HG21 THR A 61 -10.826 -0.320 3.774 1.00 0.00 H new ATOM 0 HG22 THR A 61 -12.229 0.333 2.896 1.00 0.00 H new ATOM 0 HG23 THR A 61 -12.467 -0.556 4.419 1.00 0.00 H new ATOM 939 N GLU A 62 -13.683 -4.477 2.446 1.00 0.00 N ATOM 940 CA GLU A 62 -13.906 -5.815 1.887 1.00 0.00 C ATOM 941 C GLU A 62 -12.877 -6.099 0.815 1.00 0.00 C ATOM 942 O GLU A 62 -13.193 -6.374 -0.335 1.00 0.00 O ATOM 943 CB GLU A 62 -15.328 -5.804 1.349 1.00 0.00 C ATOM 944 CG GLU A 62 -16.268 -6.886 1.904 1.00 0.00 C ATOM 945 CD GLU A 62 -17.646 -6.247 2.141 1.00 0.00 C ATOM 946 OE1 GLU A 62 -18.098 -5.551 1.224 1.00 0.00 O ATOM 947 OE2 GLU A 62 -18.212 -6.463 3.210 1.00 0.00 O ATOM 0 H GLU A 62 -13.535 -4.435 3.454 1.00 0.00 H new ATOM 0 HA GLU A 62 -13.794 -6.608 2.626 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -15.767 -4.828 1.558 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -15.286 -5.909 0.265 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -16.349 -7.716 1.202 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -15.872 -7.293 2.834 1.00 0.00 H new ATOM 954 N LEU A 63 -11.599 -6.020 1.257 1.00 0.00 N ATOM 955 CA LEU A 63 -10.528 -6.271 0.352 1.00 0.00 C ATOM 956 C LEU A 63 -10.272 -7.786 0.268 1.00 0.00 C ATOM 957 O LEU A 63 -9.330 -8.338 0.812 1.00 0.00 O ATOM 958 CB LEU A 63 -9.257 -5.591 0.875 1.00 0.00 C ATOM 959 CG LEU A 63 -8.904 -4.218 0.277 1.00 0.00 C ATOM 960 CD1 LEU A 63 -9.897 -3.182 0.754 1.00 0.00 C ATOM 961 CD2 LEU A 63 -7.553 -3.790 0.841 1.00 0.00 C ATOM 0 H LEU A 63 -11.322 -5.789 2.211 1.00 0.00 H new ATOM 0 HA LEU A 63 -10.788 -5.881 -0.632 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -9.354 -5.476 1.955 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -8.417 -6.263 0.700 1.00 0.00 H new ATOM 0 HG LEU A 63 -8.904 -4.292 -0.810 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -9.643 -2.211 0.328 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -10.900 -3.466 0.437 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -9.864 -3.121 1.842 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -7.279 -2.818 0.432 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -7.617 -3.722 1.927 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -6.795 -4.525 0.568 1.00 0.00 H new ATOM 973 N THR A 64 -11.184 -8.425 -0.466 1.00 0.00 N ATOM 974 CA THR A 64 -11.224 -9.832 -0.746 1.00 0.00 C ATOM 975 C THR A 64 -9.822 -10.165 -1.289 1.00 0.00 C ATOM 976 O THR A 64 -9.460 -9.604 -2.315 1.00 0.00 O ATOM 977 CB THR A 64 -12.212 -10.088 -1.897 1.00 0.00 C ATOM 978 OG1 THR A 64 -13.472 -9.583 -1.569 1.00 0.00 O ATOM 979 CG2 THR A 64 -12.312 -11.563 -2.153 1.00 0.00 C ATOM 0 H THR A 64 -11.959 -7.926 -0.902 1.00 0.00 H new ATOM 0 HA THR A 64 -11.511 -10.411 0.132 1.00 0.00 H new ATOM 0 HB THR A 64 -11.851 -9.585 -2.794 1.00 0.00 H new ATOM 0 HG1 THR A 64 -14.094 -9.749 -2.308 1.00 0.00 H new ATOM 0 HG21 THR A 64 -13.012 -11.744 -2.969 1.00 0.00 H new ATOM 0 HG22 THR A 64 -11.331 -11.953 -2.424 1.00 0.00 H new ATOM 0 HG23 THR A 64 -12.666 -12.065 -1.253 1.00 0.00 H new ATOM 987 N GLY A 65 -9.150 -11.064 -0.567 1.00 0.00 N ATOM 988 CA GLY A 65 -7.836 -11.317 -1.126 1.00 0.00 C ATOM 989 C GLY A 65 -7.493 -12.796 -0.946 1.00 0.00 C ATOM 990 O GLY A 65 -8.368 -13.611 -0.795 1.00 0.00 O ATOM 0 H GLY A 65 -9.438 -11.560 0.277 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -7.820 -11.053 -2.183 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -7.090 -10.695 -0.631 1.00 0.00 H new ATOM 994 N THR A 66 -6.155 -12.902 -1.011 1.00 0.00 N ATOM 995 CA THR A 66 -5.458 -14.176 -0.914 1.00 0.00 C ATOM 996 C THR A 66 -3.983 -14.084 -1.182 1.00 0.00 C ATOM 997 O THR A 66 -3.584 -13.586 -2.232 1.00 0.00 O ATOM 998 CB THR A 66 -6.033 -15.002 -2.098 1.00 0.00 C ATOM 999 OG1 THR A 66 -5.133 -16.041 -2.274 1.00 0.00 O ATOM 1000 CG2 THR A 66 -6.102 -14.097 -3.332 1.00 0.00 C ATOM 0 H THR A 66 -5.535 -12.101 -1.132 1.00 0.00 H new ATOM 0 HA THR A 66 -5.591 -14.580 0.090 1.00 0.00 H new ATOM 0 HB THR A 66 -7.038 -15.386 -1.922 1.00 0.00 H new ATOM 0 HG1 THR A 66 -5.433 -16.612 -3.012 1.00 0.00 H new ATOM 0 HG21 THR A 66 -6.504 -14.660 -4.174 1.00 0.00 H new ATOM 0 HG22 THR A 66 -6.750 -13.246 -3.123 1.00 0.00 H new ATOM 0 HG23 THR A 66 -5.102 -13.740 -3.578 1.00 0.00 H new ATOM 1008 N TRP A 67 -3.085 -14.525 -0.270 1.00 0.00 N ATOM 1009 CA TRP A 67 -1.653 -14.360 -0.585 1.00 0.00 C ATOM 1010 C TRP A 67 -0.978 -15.690 -0.260 1.00 0.00 C ATOM 1011 O TRP A 67 -1.214 -16.278 0.765 1.00 0.00 O ATOM 1012 CB TRP A 67 -1.116 -13.224 0.280 1.00 0.00 C ATOM 1013 CG TRP A 67 -2.027 -12.062 -0.169 1.00 0.00 C ATOM 1014 CD1 TRP A 67 -3.312 -11.926 0.346 1.00 0.00 C ATOM 1015 CD2 TRP A 67 -1.807 -11.008 -1.108 1.00 0.00 C ATOM 1016 NE1 TRP A 67 -3.832 -10.910 -0.232 1.00 0.00 N ATOM 1017 CE2 TRP A 67 -2.998 -10.304 -1.117 1.00 0.00 C ATOM 1018 CE3 TRP A 67 -0.801 -10.594 -1.915 1.00 0.00 C ATOM 1019 CZ2 TRP A 67 -3.094 -9.226 -1.954 1.00 0.00 C ATOM 1020 CZ3 TRP A 67 -0.923 -9.503 -2.745 1.00 0.00 C ATOM 1021 CH2 TRP A 67 -2.096 -8.798 -2.770 1.00 0.00 C ATOM 0 H TRP A 67 -3.304 -14.965 0.624 1.00 0.00 H new ATOM 0 HA TRP A 67 -1.468 -14.109 -1.629 1.00 0.00 H new ATOM 0 HB2 TRP A 67 -1.211 -13.435 1.345 1.00 0.00 H new ATOM 0 HB3 TRP A 67 -0.062 -13.021 0.088 1.00 0.00 H new ATOM 0 HD1 TRP A 67 -3.779 -12.555 1.089 1.00 0.00 H new ATOM 0 HE1 TRP A 67 -4.781 -10.586 -0.046 1.00 0.00 H new ATOM 0 HE3 TRP A 67 0.131 -11.140 -1.907 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 -4.025 -8.679 -1.967 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 -0.097 -9.205 -3.374 1.00 0.00 H new ATOM 0 HH2 TRP A 67 -2.223 -7.938 -3.411 1.00 0.00 H new ATOM 1032 N THR A 68 -0.172 -15.993 -1.287 1.00 0.00 N ATOM 1033 CA THR A 68 0.630 -17.163 -1.412 1.00 0.00 C ATOM 1034 C THR A 68 2.155 -16.951 -1.499 1.00 0.00 C ATOM 1035 O THR A 68 2.730 -17.728 -2.245 1.00 0.00 O ATOM 1036 CB THR A 68 0.190 -18.013 -2.605 1.00 0.00 C ATOM 1037 OG1 THR A 68 0.757 -17.600 -3.825 1.00 0.00 O ATOM 1038 CG2 THR A 68 -1.333 -18.095 -2.749 1.00 0.00 C ATOM 0 H THR A 68 -0.075 -15.372 -2.090 1.00 0.00 H new ATOM 0 HA THR A 68 0.455 -17.673 -0.465 1.00 0.00 H new ATOM 0 HB THR A 68 0.570 -19.009 -2.379 1.00 0.00 H new ATOM 0 HG1 THR A 68 1.726 -17.742 -3.800 1.00 0.00 H new ATOM 0 HG21 THR A 68 -1.584 -18.711 -3.612 1.00 0.00 H new ATOM 0 HG22 THR A 68 -1.760 -18.539 -1.850 1.00 0.00 H new ATOM 0 HG23 THR A 68 -1.740 -17.093 -2.887 1.00 0.00 H new ATOM 1046 N MET A 69 2.498 -15.948 -0.721 1.00 0.00 N ATOM 1047 CA MET A 69 3.819 -15.415 -0.505 1.00 0.00 C ATOM 1048 C MET A 69 4.841 -16.326 -1.174 1.00 0.00 C ATOM 1049 O MET A 69 5.398 -17.242 -0.595 1.00 0.00 O ATOM 1050 CB MET A 69 4.099 -15.397 1.018 1.00 0.00 C ATOM 1051 CG MET A 69 4.841 -14.094 1.393 1.00 0.00 C ATOM 1052 SD MET A 69 6.418 -14.434 2.164 1.00 0.00 S ATOM 1053 CE MET A 69 7.430 -14.919 0.762 1.00 0.00 C ATOM 0 H MET A 69 1.797 -15.444 -0.178 1.00 0.00 H new ATOM 0 HA MET A 69 3.888 -14.409 -0.920 1.00 0.00 H new ATOM 0 HB2 MET A 69 3.162 -15.466 1.571 1.00 0.00 H new ATOM 0 HB3 MET A 69 4.699 -16.263 1.298 1.00 0.00 H new ATOM 0 HG2 MET A 69 4.995 -13.492 0.498 1.00 0.00 H new ATOM 0 HG3 MET A 69 4.223 -13.505 2.071 1.00 0.00 H new ATOM 0 HE1 MET A 69 8.484 -14.831 1.026 1.00 0.00 H new ATOM 0 HE2 MET A 69 7.209 -15.952 0.493 1.00 0.00 H new ATOM 0 HE3 MET A 69 7.213 -14.269 -0.086 1.00 0.00 H new ATOM 1063 N GLU A 70 4.981 -15.931 -2.464 1.00 0.00 N ATOM 1064 CA GLU A 70 5.928 -16.723 -3.247 1.00 0.00 C ATOM 1065 C GLU A 70 7.346 -16.262 -2.951 1.00 0.00 C ATOM 1066 O GLU A 70 7.622 -15.519 -2.030 1.00 0.00 O ATOM 1067 CB GLU A 70 5.594 -16.555 -4.732 1.00 0.00 C ATOM 1068 CG GLU A 70 5.605 -17.792 -5.619 1.00 0.00 C ATOM 1069 CD GLU A 70 4.239 -18.472 -5.694 1.00 0.00 C ATOM 1070 OE1 GLU A 70 3.505 -18.544 -4.695 1.00 0.00 O ATOM 1071 OE2 GLU A 70 3.907 -18.944 -6.785 1.00 0.00 O ATOM 0 H GLU A 70 4.507 -15.159 -2.933 1.00 0.00 H new ATOM 0 HA GLU A 70 5.854 -17.778 -2.982 1.00 0.00 H new ATOM 0 HB2 GLU A 70 4.604 -16.105 -4.801 1.00 0.00 H new ATOM 0 HB3 GLU A 70 6.300 -15.838 -5.152 1.00 0.00 H new ATOM 0 HG2 GLU A 70 5.923 -17.512 -6.623 1.00 0.00 H new ATOM 0 HG3 GLU A 70 6.340 -18.501 -5.238 1.00 0.00 H new ATOM 1078 N GLY A 71 8.239 -16.763 -3.814 1.00 0.00 N ATOM 1079 CA GLY A 71 9.620 -16.386 -3.618 1.00 0.00 C ATOM 1080 C GLY A 71 9.808 -14.888 -3.841 1.00 0.00 C ATOM 1081 O GLY A 71 10.035 -14.441 -4.963 1.00 0.00 O ATOM 0 H GLY A 71 8.041 -17.385 -4.597 1.00 0.00 H new ATOM 0 HA2 GLY A 71 9.934 -16.651 -2.608 1.00 0.00 H new ATOM 0 HA3 GLY A 71 10.255 -16.944 -4.306 1.00 0.00 H new ATOM 1085 N ASN A 72 9.701 -14.155 -2.719 1.00 0.00 N ATOM 1086 CA ASN A 72 9.853 -12.714 -2.791 1.00 0.00 C ATOM 1087 C ASN A 72 8.882 -12.133 -3.828 1.00 0.00 C ATOM 1088 O ASN A 72 9.354 -11.278 -4.592 1.00 0.00 O ATOM 1089 CB ASN A 72 11.310 -12.418 -3.098 1.00 0.00 C ATOM 1090 CG ASN A 72 12.172 -12.765 -1.885 1.00 0.00 C ATOM 1091 OD1 ASN A 72 12.826 -13.795 -1.942 1.00 0.00 O ATOM 1092 ND2 ASN A 72 12.140 -11.909 -0.849 1.00 0.00 N ATOM 0 H ASN A 72 9.516 -14.530 -1.789 1.00 0.00 H new ATOM 0 HA ASN A 72 9.599 -12.235 -1.845 1.00 0.00 H new ATOM 0 HB2 ASN A 72 11.634 -12.996 -3.964 1.00 0.00 H new ATOM 0 HB3 ASN A 72 11.431 -11.365 -3.354 1.00 0.00 H new ATOM 0 HD21 ASN A 72 12.696 -12.097 -0.015 1.00 0.00 H new ATOM 0 HD22 ASN A 72 11.560 -11.072 -0.897 1.00 0.00 H new ATOM 1099 N LYS A 73 7.637 -12.643 -3.763 1.00 0.00 N ATOM 1100 CA LYS A 73 6.618 -12.172 -4.691 1.00 0.00 C ATOM 1101 C LYS A 73 5.355 -11.855 -3.904 1.00 0.00 C ATOM 1102 O LYS A 73 5.362 -12.154 -2.714 1.00 0.00 O ATOM 1103 CB LYS A 73 6.348 -13.112 -5.847 1.00 0.00 C ATOM 1104 CG LYS A 73 7.560 -13.665 -6.587 1.00 0.00 C ATOM 1105 CD LYS A 73 7.188 -13.945 -8.033 1.00 0.00 C ATOM 1106 CE LYS A 73 7.353 -12.639 -8.840 1.00 0.00 C ATOM 1107 NZ LYS A 73 7.537 -12.878 -10.271 1.00 0.00 N ATOM 0 H LYS A 73 7.330 -13.355 -3.100 1.00 0.00 H new ATOM 0 HA LYS A 73 6.997 -11.269 -5.171 1.00 0.00 H new ATOM 0 HB2 LYS A 73 5.768 -13.954 -5.470 1.00 0.00 H new ATOM 0 HB3 LYS A 73 5.720 -12.590 -6.569 1.00 0.00 H new ATOM 0 HG2 LYS A 73 8.382 -12.951 -6.544 1.00 0.00 H new ATOM 0 HG3 LYS A 73 7.907 -14.580 -6.106 1.00 0.00 H new ATOM 0 HD2 LYS A 73 7.826 -14.728 -8.444 1.00 0.00 H new ATOM 0 HD3 LYS A 73 6.161 -14.304 -8.098 1.00 0.00 H new ATOM 0 HE2 LYS A 73 6.474 -12.011 -8.691 1.00 0.00 H new ATOM 0 HE3 LYS A 73 8.209 -12.085 -8.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 7.859 -12.003 -10.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 8.248 -13.624 -10.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 6.634 -13.178 -10.692 1.00 0.00 H new ATOM 1121 N LEU A 74 4.385 -11.292 -4.599 1.00 0.00 N ATOM 1122 CA LEU A 74 3.148 -10.963 -3.887 1.00 0.00 C ATOM 1123 C LEU A 74 1.960 -11.057 -4.781 1.00 0.00 C ATOM 1124 O LEU A 74 1.163 -10.169 -5.036 1.00 0.00 O ATOM 1125 CB LEU A 74 3.339 -9.579 -3.249 1.00 0.00 C ATOM 1126 CG LEU A 74 3.555 -9.758 -1.723 1.00 0.00 C ATOM 1127 CD1 LEU A 74 3.881 -8.494 -0.936 1.00 0.00 C ATOM 1128 CD2 LEU A 74 2.418 -10.457 -0.953 1.00 0.00 C ATOM 0 H LEU A 74 4.412 -11.061 -5.592 1.00 0.00 H new ATOM 0 HA LEU A 74 2.946 -11.686 -3.097 1.00 0.00 H new ATOM 0 HB2 LEU A 74 4.195 -9.073 -3.695 1.00 0.00 H new ATOM 0 HB3 LEU A 74 2.466 -8.953 -3.436 1.00 0.00 H new ATOM 0 HG LEU A 74 4.430 -10.406 -1.766 1.00 0.00 H new ATOM 0 HD11 LEU A 74 4.010 -8.744 0.117 1.00 0.00 H new ATOM 0 HD12 LEU A 74 4.801 -8.054 -1.320 1.00 0.00 H new ATOM 0 HD13 LEU A 74 3.065 -7.779 -1.042 1.00 0.00 H new ATOM 0 HD21 LEU A 74 2.682 -10.525 0.102 1.00 0.00 H new ATOM 0 HD22 LEU A 74 1.498 -9.882 -1.061 1.00 0.00 H new ATOM 0 HD23 LEU A 74 2.269 -11.459 -1.355 1.00 0.00 H new ATOM 1140 N VAL A 75 1.908 -12.319 -5.272 1.00 0.00 N ATOM 1141 CA VAL A 75 0.886 -12.742 -6.163 1.00 0.00 C ATOM 1142 C VAL A 75 -0.369 -13.204 -5.421 1.00 0.00 C ATOM 1143 O VAL A 75 -0.752 -14.332 -5.178 1.00 0.00 O ATOM 1144 CB VAL A 75 1.454 -13.804 -7.105 1.00 0.00 C ATOM 1145 CG1 VAL A 75 0.492 -14.400 -8.100 1.00 0.00 C ATOM 1146 CG2 VAL A 75 2.527 -13.102 -7.976 1.00 0.00 C ATOM 0 H VAL A 75 2.587 -13.044 -5.041 1.00 0.00 H new ATOM 0 HA VAL A 75 0.558 -11.895 -6.765 1.00 0.00 H new ATOM 0 HB VAL A 75 1.795 -14.610 -6.455 1.00 0.00 H new ATOM 0 HG11 VAL A 75 1.011 -15.139 -8.710 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -0.330 -14.881 -7.569 1.00 0.00 H new ATOM 0 HG13 VAL A 75 0.098 -13.612 -8.742 1.00 0.00 H new ATOM 0 HG21 VAL A 75 2.963 -13.823 -8.667 1.00 0.00 H new ATOM 0 HG22 VAL A 75 2.065 -12.292 -8.540 1.00 0.00 H new ATOM 0 HG23 VAL A 75 3.309 -12.697 -7.334 1.00 0.00 H new ATOM 1156 N GLY A 76 -1.016 -12.099 -5.057 1.00 0.00 N ATOM 1157 CA GLY A 76 -2.264 -12.215 -4.319 1.00 0.00 C ATOM 1158 C GLY A 76 -3.087 -10.971 -4.756 1.00 0.00 C ATOM 1159 O GLY A 76 -2.643 -10.387 -5.713 1.00 0.00 O ATOM 0 H GLY A 76 -0.708 -11.147 -5.254 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -2.785 -13.141 -4.562 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -2.091 -12.219 -3.243 1.00 0.00 H new ATOM 1163 N LYS A 77 -4.189 -10.732 -3.978 1.00 0.00 N ATOM 1164 CA LYS A 77 -4.906 -9.569 -4.433 1.00 0.00 C ATOM 1165 C LYS A 77 -5.864 -9.039 -3.399 1.00 0.00 C ATOM 1166 O LYS A 77 -6.079 -9.664 -2.388 1.00 0.00 O ATOM 1167 CB LYS A 77 -5.709 -10.135 -5.634 1.00 0.00 C ATOM 1168 CG LYS A 77 -7.168 -9.794 -5.564 1.00 0.00 C ATOM 1169 CD LYS A 77 -7.975 -10.308 -6.753 1.00 0.00 C ATOM 1170 CE LYS A 77 -9.499 -10.049 -6.659 1.00 0.00 C ATOM 1171 NZ LYS A 77 -10.023 -10.758 -5.474 1.00 0.00 N ATOM 0 H LYS A 77 -4.535 -11.249 -3.169 1.00 0.00 H new ATOM 0 HA LYS A 77 -4.241 -8.737 -4.665 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -5.292 -9.743 -6.562 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -5.594 -11.218 -5.665 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -7.585 -10.208 -4.646 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -7.277 -8.711 -5.503 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -7.596 -9.841 -7.662 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -7.808 -11.380 -6.852 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -9.697 -8.980 -6.579 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -9.999 -10.399 -7.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -11.059 -10.826 -5.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -9.615 -11.714 -5.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -9.765 -10.234 -4.614 1.00 0.00 H new ATOM 1185 N PHE A 78 -6.400 -7.855 -3.742 1.00 0.00 N ATOM 1186 CA PHE A 78 -7.365 -7.222 -2.857 1.00 0.00 C ATOM 1187 C PHE A 78 -8.245 -6.450 -3.846 1.00 0.00 C ATOM 1188 O PHE A 78 -7.931 -6.008 -4.929 1.00 0.00 O ATOM 1189 CB PHE A 78 -6.727 -6.367 -1.817 1.00 0.00 C ATOM 1190 CG PHE A 78 -5.649 -6.950 -0.981 1.00 0.00 C ATOM 1191 CD1 PHE A 78 -5.851 -8.000 -0.110 1.00 0.00 C ATOM 1192 CD2 PHE A 78 -4.348 -6.469 -1.036 1.00 0.00 C ATOM 1193 CE1 PHE A 78 -4.775 -8.462 0.589 1.00 0.00 C ATOM 1194 CE2 PHE A 78 -3.349 -7.015 -0.281 1.00 0.00 C ATOM 1195 CZ PHE A 78 -3.645 -8.071 0.545 1.00 0.00 C ATOM 0 H PHE A 78 -6.185 -7.340 -4.596 1.00 0.00 H new ATOM 0 HA PHE A 78 -7.932 -7.926 -2.248 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -6.320 -5.487 -2.316 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -7.513 -6.018 -1.147 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -6.829 -8.442 0.014 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -4.120 -5.642 -1.692 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -4.966 -9.282 1.266 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -2.344 -6.623 -0.333 1.00 0.00 H new ATOM 0 HZ PHE A 78 -2.875 -8.538 1.142 1.00 0.00 H new ATOM 1205 N LYS A 79 -9.497 -6.316 -3.340 1.00 0.00 N ATOM 1206 CA LYS A 79 -10.471 -5.628 -4.117 1.00 0.00 C ATOM 1207 C LYS A 79 -11.783 -5.263 -3.442 1.00 0.00 C ATOM 1208 O LYS A 79 -12.420 -6.126 -2.885 1.00 0.00 O ATOM 1209 CB LYS A 79 -10.754 -6.709 -5.211 1.00 0.00 C ATOM 1210 CG LYS A 79 -11.485 -6.295 -6.446 1.00 0.00 C ATOM 1211 CD LYS A 79 -12.907 -5.725 -6.168 1.00 0.00 C ATOM 1212 CE LYS A 79 -13.553 -5.186 -7.435 1.00 0.00 C ATOM 1213 NZ LYS A 79 -14.639 -6.059 -7.911 1.00 0.00 N ATOM 0 H LYS A 79 -9.814 -6.669 -2.437 1.00 0.00 H new ATOM 0 HA LYS A 79 -10.095 -4.651 -4.421 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -9.796 -7.130 -5.517 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -11.321 -7.514 -4.744 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -10.897 -5.542 -6.971 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -11.571 -7.153 -7.112 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -13.536 -6.507 -5.743 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -12.842 -4.930 -5.426 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -13.947 -4.187 -7.245 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -12.797 -5.088 -8.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -14.667 -6.043 -8.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -14.471 -7.032 -7.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -15.547 -5.720 -7.535 1.00 0.00 H new ATOM 1227 N ARG A 80 -12.114 -3.958 -3.545 1.00 0.00 N ATOM 1228 CA ARG A 80 -13.350 -3.556 -2.935 1.00 0.00 C ATOM 1229 C ARG A 80 -14.521 -4.010 -3.845 1.00 0.00 C ATOM 1230 O ARG A 80 -14.641 -3.485 -4.928 1.00 0.00 O ATOM 1231 CB ARG A 80 -13.423 -2.044 -2.747 1.00 0.00 C ATOM 1232 CG ARG A 80 -12.211 -1.638 -1.898 1.00 0.00 C ATOM 1233 CD ARG A 80 -12.462 -0.295 -1.192 1.00 0.00 C ATOM 1234 NE ARG A 80 -11.251 0.184 -0.578 1.00 0.00 N ATOM 1235 CZ ARG A 80 -11.246 1.270 0.190 1.00 0.00 C ATOM 1236 NH1 ARG A 80 -12.339 1.982 0.434 1.00 0.00 N ATOM 1237 NH2 ARG A 80 -10.091 1.674 0.755 1.00 0.00 N ATOM 0 H ARG A 80 -11.574 -3.230 -4.013 1.00 0.00 H new ATOM 0 HA ARG A 80 -13.414 -4.020 -1.951 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -13.407 -1.534 -3.710 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -14.352 -1.761 -2.252 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -12.006 -2.410 -1.157 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -11.327 -1.561 -2.531 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -12.827 0.438 -1.911 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -13.238 -0.414 -0.436 1.00 0.00 H new ATOM 0 HE ARG A 80 -10.378 -0.320 -0.735 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -13.231 1.703 0.026 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -12.287 2.808 1.030 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -9.232 1.148 0.592 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -10.076 2.505 1.346 1.00 0.00 H new ATOM 1251 N VAL A 81 -15.238 -4.955 -3.238 1.00 0.00 N ATOM 1252 CA VAL A 81 -16.393 -5.527 -3.897 1.00 0.00 C ATOM 1253 C VAL A 81 -17.390 -4.386 -4.226 1.00 0.00 C ATOM 1254 O VAL A 81 -18.176 -4.501 -5.132 1.00 0.00 O ATOM 1255 CB VAL A 81 -16.993 -6.536 -2.959 1.00 0.00 C ATOM 1256 CG1 VAL A 81 -18.505 -6.340 -2.704 1.00 0.00 C ATOM 1257 CG2 VAL A 81 -16.912 -8.028 -3.390 1.00 0.00 C ATOM 0 H VAL A 81 -15.039 -5.329 -2.310 1.00 0.00 H new ATOM 0 HA VAL A 81 -16.130 -6.022 -4.832 1.00 0.00 H new ATOM 0 HB VAL A 81 -16.369 -6.345 -2.086 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -18.861 -7.108 -2.017 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -18.676 -5.356 -2.268 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -19.046 -6.418 -3.647 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -17.380 -8.653 -2.629 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -17.432 -8.161 -4.339 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -15.867 -8.317 -3.505 1.00 0.00 H new ATOM 1267 N ASP A 82 -17.203 -3.369 -3.389 1.00 0.00 N ATOM 1268 CA ASP A 82 -17.933 -2.130 -3.395 1.00 0.00 C ATOM 1269 C ASP A 82 -18.079 -1.552 -4.797 1.00 0.00 C ATOM 1270 O ASP A 82 -19.257 -1.261 -5.095 1.00 0.00 O ATOM 1271 CB ASP A 82 -17.219 -1.119 -2.461 1.00 0.00 C ATOM 1272 CG ASP A 82 -17.997 0.166 -2.317 1.00 0.00 C ATOM 1273 OD1 ASP A 82 -18.621 0.696 -3.228 1.00 0.00 O ATOM 1274 OD2 ASP A 82 -18.017 0.723 -1.219 1.00 0.00 O ATOM 0 H ASP A 82 -16.497 -3.401 -2.653 1.00 0.00 H new ATOM 0 HA ASP A 82 -18.942 -2.326 -3.032 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -17.079 -1.570 -1.479 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -16.227 -0.900 -2.855 1.00 0.00 H new ATOM 1279 N ASN A 83 -16.974 -1.403 -5.568 1.00 0.00 N ATOM 1280 CA ASN A 83 -17.252 -0.842 -6.872 1.00 0.00 C ATOM 1281 C ASN A 83 -16.475 -1.379 -8.042 1.00 0.00 C ATOM 1282 O ASN A 83 -16.671 -0.840 -9.128 1.00 0.00 O ATOM 1283 CB ASN A 83 -16.928 0.684 -6.843 1.00 0.00 C ATOM 1284 CG ASN A 83 -15.505 0.844 -6.359 1.00 0.00 C ATOM 1285 OD1 ASN A 83 -14.689 -0.068 -6.335 1.00 0.00 O ATOM 1286 ND2 ASN A 83 -15.150 2.069 -5.939 1.00 0.00 N ATOM 0 H ASN A 83 -16.008 -1.634 -5.337 1.00 0.00 H new ATOM 0 HA ASN A 83 -18.297 -1.108 -7.034 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -17.045 1.119 -7.836 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -17.618 1.209 -6.182 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -14.202 2.238 -5.601 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -15.828 2.831 -5.958 1.00 0.00 H new ATOM 1293 N GLY A 84 -15.654 -2.383 -7.790 1.00 0.00 N ATOM 1294 CA GLY A 84 -14.902 -2.893 -8.951 1.00 0.00 C ATOM 1295 C GLY A 84 -13.527 -2.209 -8.852 1.00 0.00 C ATOM 1296 O GLY A 84 -12.939 -1.865 -9.860 1.00 0.00 O ATOM 0 H GLY A 84 -15.490 -2.834 -6.890 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -14.808 -3.978 -8.917 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -15.402 -2.645 -9.887 1.00 0.00 H new ATOM 1300 N LYS A 85 -13.131 -2.076 -7.566 1.00 0.00 N ATOM 1301 CA LYS A 85 -11.886 -1.459 -7.304 1.00 0.00 C ATOM 1302 C LYS A 85 -10.598 -2.176 -7.640 1.00 0.00 C ATOM 1303 O LYS A 85 -9.892 -1.663 -8.508 1.00 0.00 O ATOM 1304 CB LYS A 85 -11.919 -1.282 -5.749 1.00 0.00 C ATOM 1305 CG LYS A 85 -10.537 -0.925 -5.223 1.00 0.00 C ATOM 1306 CD LYS A 85 -10.186 0.445 -5.819 1.00 0.00 C ATOM 1307 CE LYS A 85 -9.184 1.306 -5.073 1.00 0.00 C ATOM 1308 NZ LYS A 85 -9.892 2.429 -4.436 1.00 0.00 N ATOM 0 H LYS A 85 -13.656 -2.385 -6.748 1.00 0.00 H new ATOM 0 HA LYS A 85 -11.831 -0.582 -7.948 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -12.629 -0.500 -5.481 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -12.266 -2.202 -5.280 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -10.534 -0.887 -4.134 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -9.804 -1.676 -5.517 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -9.804 0.284 -6.827 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -11.110 1.015 -5.916 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -8.666 0.713 -4.320 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -8.426 1.681 -5.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -9.210 3.023 -3.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -10.367 2.998 -5.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -10.600 2.060 -3.769 1.00 0.00 H new ATOM 1322 N GLU A 86 -10.398 -3.307 -6.920 1.00 0.00 N ATOM 1323 CA GLU A 86 -9.178 -3.998 -7.218 1.00 0.00 C ATOM 1324 C GLU A 86 -7.957 -3.214 -6.690 1.00 0.00 C ATOM 1325 O GLU A 86 -7.445 -2.448 -7.458 1.00 0.00 O ATOM 1326 CB GLU A 86 -8.986 -4.374 -8.677 1.00 0.00 C ATOM 1327 CG GLU A 86 -10.192 -5.079 -9.331 1.00 0.00 C ATOM 1328 CD GLU A 86 -10.103 -5.148 -10.829 1.00 0.00 C ATOM 1329 OE1 GLU A 86 -9.017 -5.285 -11.385 1.00 0.00 O ATOM 1330 OE2 GLU A 86 -11.164 -5.068 -11.458 1.00 0.00 O ATOM 0 H GLU A 86 -11.009 -3.707 -6.207 1.00 0.00 H new ATOM 0 HA GLU A 86 -9.263 -4.949 -6.692 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -8.761 -3.470 -9.243 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -8.116 -5.025 -8.758 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -10.272 -6.090 -8.932 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -11.105 -4.553 -9.053 1.00 0.00 H new ATOM 1337 N LEU A 87 -7.682 -3.537 -5.445 1.00 0.00 N ATOM 1338 CA LEU A 87 -6.547 -2.915 -4.749 1.00 0.00 C ATOM 1339 C LEU A 87 -5.468 -3.954 -4.524 1.00 0.00 C ATOM 1340 O LEU A 87 -4.906 -4.155 -3.491 1.00 0.00 O ATOM 1341 CB LEU A 87 -6.942 -2.115 -3.505 1.00 0.00 C ATOM 1342 CG LEU A 87 -5.754 -1.571 -2.668 1.00 0.00 C ATOM 1343 CD1 LEU A 87 -5.578 -0.054 -2.914 1.00 0.00 C ATOM 1344 CD2 LEU A 87 -5.939 -1.826 -1.177 1.00 0.00 C ATOM 0 H LEU A 87 -8.210 -4.212 -4.892 1.00 0.00 H new ATOM 0 HA LEU A 87 -6.128 -2.141 -5.392 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -7.563 -1.275 -3.815 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -7.557 -2.748 -2.865 1.00 0.00 H new ATOM 0 HG LEU A 87 -4.861 -2.106 -2.991 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -4.741 0.316 -2.321 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -5.380 0.123 -3.971 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -6.489 0.470 -2.623 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -5.084 -1.428 -0.631 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -6.849 -1.334 -0.834 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -6.017 -2.898 -0.998 1.00 0.00 H new ATOM 1356 N ILE A 88 -5.256 -4.595 -5.662 1.00 0.00 N ATOM 1357 CA ILE A 88 -4.255 -5.657 -5.673 1.00 0.00 C ATOM 1358 C ILE A 88 -2.914 -4.965 -5.403 1.00 0.00 C ATOM 1359 O ILE A 88 -2.917 -3.774 -5.541 1.00 0.00 O ATOM 1360 CB ILE A 88 -4.347 -6.209 -7.088 1.00 0.00 C ATOM 1361 CG1 ILE A 88 -5.753 -6.835 -7.321 1.00 0.00 C ATOM 1362 CG2 ILE A 88 -3.291 -7.190 -7.500 1.00 0.00 C ATOM 1363 CD1 ILE A 88 -6.080 -7.274 -8.748 1.00 0.00 C ATOM 0 H ILE A 88 -5.732 -4.416 -6.546 1.00 0.00 H new ATOM 0 HA ILE A 88 -4.381 -6.456 -4.942 1.00 0.00 H new ATOM 0 HB ILE A 88 -4.174 -5.339 -7.722 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -5.853 -7.701 -6.667 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -6.504 -6.111 -7.007 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -3.469 -7.506 -8.528 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -2.310 -6.720 -7.430 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -3.324 -8.058 -6.842 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -7.086 -7.693 -8.778 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -6.025 -6.414 -9.415 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -5.363 -8.029 -9.070 1.00 0.00 H new ATOM 1375 N ALA A 89 -1.988 -5.843 -5.060 1.00 0.00 N ATOM 1376 CA ALA A 89 -0.633 -5.425 -4.752 1.00 0.00 C ATOM 1377 C ALA A 89 0.263 -6.472 -5.386 1.00 0.00 C ATOM 1378 O ALA A 89 0.826 -7.235 -4.649 1.00 0.00 O ATOM 1379 CB ALA A 89 -0.408 -5.316 -3.222 1.00 0.00 C ATOM 0 H ALA A 89 -2.150 -6.848 -4.988 1.00 0.00 H new ATOM 0 HA ALA A 89 -0.416 -4.431 -5.143 1.00 0.00 H new ATOM 0 HB1 ALA A 89 0.617 -5.001 -3.027 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -1.099 -4.584 -2.804 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -0.584 -6.287 -2.758 1.00 0.00 H new ATOM 1385 N VAL A 90 0.261 -6.352 -6.700 1.00 0.00 N ATOM 1386 CA VAL A 90 1.048 -7.254 -7.488 1.00 0.00 C ATOM 1387 C VAL A 90 2.511 -6.769 -7.340 1.00 0.00 C ATOM 1388 O VAL A 90 2.810 -5.656 -7.781 1.00 0.00 O ATOM 1389 CB VAL A 90 0.756 -7.252 -8.970 1.00 0.00 C ATOM 1390 CG1 VAL A 90 1.840 -8.139 -9.656 1.00 0.00 C ATOM 1391 CG2 VAL A 90 -0.534 -7.908 -9.380 1.00 0.00 C ATOM 0 H VAL A 90 -0.266 -5.654 -7.225 1.00 0.00 H new ATOM 0 HA VAL A 90 0.832 -8.261 -7.130 1.00 0.00 H new ATOM 0 HB VAL A 90 0.724 -6.199 -9.251 1.00 0.00 H new ATOM 0 HG11 VAL A 90 1.663 -8.163 -10.731 1.00 0.00 H new ATOM 0 HG12 VAL A 90 2.828 -7.723 -9.460 1.00 0.00 H new ATOM 0 HG13 VAL A 90 1.787 -9.152 -9.257 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -0.643 -7.850 -10.463 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -0.525 -8.953 -9.072 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -1.370 -7.396 -8.903 1.00 0.00 H new ATOM 1401 N ARG A 91 3.354 -7.629 -6.724 1.00 0.00 N ATOM 1402 CA ARG A 91 4.687 -7.165 -6.602 1.00 0.00 C ATOM 1403 C ARG A 91 5.686 -8.215 -6.143 1.00 0.00 C ATOM 1404 O ARG A 91 5.264 -9.227 -5.688 1.00 0.00 O ATOM 1405 CB ARG A 91 4.811 -6.070 -5.511 1.00 0.00 C ATOM 1406 CG ARG A 91 6.062 -5.235 -5.591 1.00 0.00 C ATOM 1407 CD ARG A 91 6.491 -4.643 -6.946 1.00 0.00 C ATOM 1408 NE ARG A 91 7.911 -4.816 -7.138 1.00 0.00 N ATOM 1409 CZ ARG A 91 8.449 -4.999 -8.333 1.00 0.00 C ATOM 1410 NH1 ARG A 91 7.779 -5.043 -9.481 1.00 0.00 N ATOM 1411 NH2 ARG A 91 9.779 -5.151 -8.415 1.00 0.00 N ATOM 0 H ARG A 91 3.136 -8.552 -6.348 1.00 0.00 H new ATOM 0 HA ARG A 91 4.911 -6.822 -7.612 1.00 0.00 H new ATOM 0 HB2 ARG A 91 3.946 -5.410 -5.579 1.00 0.00 H new ATOM 0 HB3 ARG A 91 4.772 -6.547 -4.532 1.00 0.00 H new ATOM 0 HG2 ARG A 91 5.946 -4.405 -4.894 1.00 0.00 H new ATOM 0 HG3 ARG A 91 6.887 -5.846 -5.225 1.00 0.00 H new ATOM 0 HD2 ARG A 91 5.945 -5.131 -7.754 1.00 0.00 H new ATOM 0 HD3 ARG A 91 6.238 -3.584 -6.985 1.00 0.00 H new ATOM 0 HE ARG A 91 8.523 -4.796 -6.322 1.00 0.00 H new ATOM 0 HH11 ARG A 91 6.765 -4.931 -9.484 1.00 0.00 H new ATOM 0 HH12 ARG A 91 8.279 -5.189 -10.358 1.00 0.00 H new ATOM 0 HH21 ARG A 91 10.349 -5.124 -7.569 1.00 0.00 H new ATOM 0 HH22 ARG A 91 10.221 -5.294 -9.323 1.00 0.00 H new ATOM 1425 N GLU A 92 6.949 -7.808 -6.338 1.00 0.00 N ATOM 1426 CA GLU A 92 8.021 -8.694 -5.945 1.00 0.00 C ATOM 1427 C GLU A 92 9.272 -7.817 -5.717 1.00 0.00 C ATOM 1428 O GLU A 92 9.698 -7.193 -6.662 1.00 0.00 O ATOM 1429 CB GLU A 92 8.200 -9.634 -7.100 1.00 0.00 C ATOM 1430 CG GLU A 92 7.472 -9.327 -8.436 1.00 0.00 C ATOM 1431 CD GLU A 92 8.488 -9.528 -9.555 1.00 0.00 C ATOM 1432 OE1 GLU A 92 9.359 -8.677 -9.679 1.00 0.00 O ATOM 1433 OE2 GLU A 92 8.432 -10.500 -10.303 1.00 0.00 O ATOM 0 H GLU A 92 7.231 -6.916 -6.745 1.00 0.00 H new ATOM 0 HA GLU A 92 7.830 -9.259 -5.033 1.00 0.00 H new ATOM 0 HB2 GLU A 92 9.267 -9.695 -7.313 1.00 0.00 H new ATOM 0 HB3 GLU A 92 7.883 -10.624 -6.772 1.00 0.00 H new ATOM 0 HG2 GLU A 92 6.616 -9.988 -8.569 1.00 0.00 H new ATOM 0 HG3 GLU A 92 7.090 -8.306 -8.441 1.00 0.00 H new ATOM 1440 N ILE A 93 9.669 -7.932 -4.450 1.00 0.00 N ATOM 1441 CA ILE A 93 10.839 -7.191 -4.007 1.00 0.00 C ATOM 1442 C ILE A 93 11.981 -7.217 -4.996 1.00 0.00 C ATOM 1443 O ILE A 93 12.154 -8.250 -5.652 1.00 0.00 O ATOM 1444 CB ILE A 93 11.259 -7.666 -2.612 1.00 0.00 C ATOM 1445 CG1 ILE A 93 11.699 -6.398 -1.830 1.00 0.00 C ATOM 1446 CG2 ILE A 93 12.433 -8.638 -2.601 1.00 0.00 C ATOM 1447 CD1 ILE A 93 11.453 -6.561 -0.327 1.00 0.00 C ATOM 0 H ILE A 93 9.216 -8.508 -3.740 1.00 0.00 H new ATOM 0 HA ILE A 93 10.556 -6.140 -3.946 1.00 0.00 H new ATOM 0 HB ILE A 93 10.412 -8.197 -2.178 1.00 0.00 H new ATOM 0 HG12 ILE A 93 12.757 -6.206 -2.009 1.00 0.00 H new ATOM 0 HG13 ILE A 93 11.151 -5.531 -2.199 1.00 0.00 H new ATOM 0 HG21 ILE A 93 12.661 -8.921 -1.573 1.00 0.00 H new ATOM 0 HG22 ILE A 93 12.173 -9.529 -3.173 1.00 0.00 H new ATOM 0 HG23 ILE A 93 13.305 -8.161 -3.048 1.00 0.00 H new ATOM 0 HD11 ILE A 93 11.771 -5.658 0.194 1.00 0.00 H new ATOM 0 HD12 ILE A 93 10.391 -6.728 -0.148 1.00 0.00 H new ATOM 0 HD13 ILE A 93 12.022 -7.413 0.045 1.00 0.00 H new ATOM 1459 N SER A 94 12.666 -6.070 -5.012 1.00 0.00 N ATOM 1460 CA SER A 94 13.792 -5.964 -5.922 1.00 0.00 C ATOM 1461 C SER A 94 14.905 -5.045 -5.491 1.00 0.00 C ATOM 1462 O SER A 94 14.701 -3.845 -5.241 1.00 0.00 O ATOM 1463 CB SER A 94 13.208 -5.628 -7.326 1.00 0.00 C ATOM 1464 OG SER A 94 14.102 -5.073 -8.222 1.00 0.00 O ATOM 0 H SER A 94 12.472 -5.249 -4.438 1.00 0.00 H new ATOM 0 HA SER A 94 14.315 -6.920 -5.937 1.00 0.00 H new ATOM 0 HB2 SER A 94 12.804 -6.542 -7.761 1.00 0.00 H new ATOM 0 HB3 SER A 94 12.373 -4.939 -7.198 1.00 0.00 H new ATOM 0 HG SER A 94 13.647 -4.898 -9.072 1.00 0.00 H new ATOM 1470 N GLY A 95 16.113 -5.596 -5.402 1.00 0.00 N ATOM 1471 CA GLY A 95 17.246 -4.774 -4.999 1.00 0.00 C ATOM 1472 C GLY A 95 17.210 -4.745 -3.443 1.00 0.00 C ATOM 1473 O GLY A 95 17.880 -3.941 -2.844 1.00 0.00 O ATOM 0 H GLY A 95 16.327 -6.574 -5.596 1.00 0.00 H new ATOM 0 HA2 GLY A 95 18.184 -5.195 -5.362 1.00 0.00 H new ATOM 0 HA3 GLY A 95 17.167 -3.768 -5.412 1.00 0.00 H new ATOM 1477 N ASN A 96 16.372 -5.702 -3.022 1.00 0.00 N ATOM 1478 CA ASN A 96 16.142 -5.901 -1.611 1.00 0.00 C ATOM 1479 C ASN A 96 15.625 -4.518 -1.097 1.00 0.00 C ATOM 1480 O ASN A 96 16.259 -3.945 -0.201 1.00 0.00 O ATOM 1481 CB ASN A 96 17.415 -6.365 -0.935 1.00 0.00 C ATOM 1482 CG ASN A 96 17.016 -7.216 0.279 1.00 0.00 C ATOM 1483 OD1 ASN A 96 16.291 -8.168 0.115 1.00 0.00 O ATOM 1484 ND2 ASN A 96 17.566 -6.768 1.437 1.00 0.00 N ATOM 0 H ASN A 96 15.857 -6.333 -3.636 1.00 0.00 H new ATOM 0 HA ASN A 96 15.413 -6.681 -1.391 1.00 0.00 H new ATOM 0 HB2 ASN A 96 18.025 -6.947 -1.626 1.00 0.00 H new ATOM 0 HB3 ASN A 96 18.015 -5.511 -0.622 1.00 0.00 H new ATOM 0 HD21 ASN A 96 17.379 -7.257 2.313 1.00 0.00 H new ATOM 0 HD22 ASN A 96 18.166 -5.943 1.431 1.00 0.00 H new ATOM 1491 N GLU A 97 14.529 -4.188 -1.757 1.00 0.00 N ATOM 1492 CA GLU A 97 13.802 -2.975 -1.502 1.00 0.00 C ATOM 1493 C GLU A 97 12.546 -2.938 -2.436 1.00 0.00 C ATOM 1494 O GLU A 97 12.657 -2.604 -3.582 1.00 0.00 O ATOM 1495 CB GLU A 97 14.576 -1.688 -1.429 1.00 0.00 C ATOM 1496 CG GLU A 97 15.846 -1.661 -2.275 1.00 0.00 C ATOM 1497 CD GLU A 97 16.364 -0.221 -2.339 1.00 0.00 C ATOM 1498 OE1 GLU A 97 15.897 0.471 -3.243 1.00 0.00 O ATOM 1499 OE2 GLU A 97 17.199 0.177 -1.519 1.00 0.00 O ATOM 0 H GLU A 97 14.121 -4.767 -2.491 1.00 0.00 H new ATOM 0 HA GLU A 97 13.488 -3.026 -0.459 1.00 0.00 H new ATOM 0 HB2 GLU A 97 13.927 -0.871 -1.745 1.00 0.00 H new ATOM 0 HB3 GLU A 97 14.844 -1.499 -0.389 1.00 0.00 H new ATOM 0 HG2 GLU A 97 16.602 -2.316 -1.842 1.00 0.00 H new ATOM 0 HG3 GLU A 97 15.639 -2.033 -3.278 1.00 0.00 H new ATOM 1506 N LEU A 98 11.463 -3.313 -1.741 1.00 0.00 N ATOM 1507 CA LEU A 98 10.131 -3.406 -2.234 1.00 0.00 C ATOM 1508 C LEU A 98 9.499 -2.057 -2.675 1.00 0.00 C ATOM 1509 O LEU A 98 9.845 -1.024 -2.172 1.00 0.00 O ATOM 1510 CB LEU A 98 9.335 -4.108 -1.106 1.00 0.00 C ATOM 1511 CG LEU A 98 8.279 -5.043 -1.679 1.00 0.00 C ATOM 1512 CD1 LEU A 98 8.112 -6.336 -0.897 1.00 0.00 C ATOM 1513 CD2 LEU A 98 6.885 -4.379 -1.578 1.00 0.00 C ATOM 0 H LEU A 98 11.526 -3.571 -0.756 1.00 0.00 H new ATOM 0 HA LEU A 98 10.113 -3.972 -3.165 1.00 0.00 H new ATOM 0 HB2 LEU A 98 10.019 -4.672 -0.471 1.00 0.00 H new ATOM 0 HB3 LEU A 98 8.858 -3.359 -0.474 1.00 0.00 H new ATOM 0 HG LEU A 98 8.616 -5.248 -2.695 1.00 0.00 H new ATOM 0 HD11 LEU A 98 7.343 -6.949 -1.367 1.00 0.00 H new ATOM 0 HD12 LEU A 98 9.056 -6.881 -0.890 1.00 0.00 H new ATOM 0 HD13 LEU A 98 7.818 -6.106 0.127 1.00 0.00 H new ATOM 0 HD21 LEU A 98 6.131 -5.051 -1.989 1.00 0.00 H new ATOM 0 HD22 LEU A 98 6.655 -4.172 -0.533 1.00 0.00 H new ATOM 0 HD23 LEU A 98 6.885 -3.446 -2.141 1.00 0.00 H new ATOM 1525 N ILE A 99 8.600 -2.368 -3.635 1.00 0.00 N ATOM 1526 CA ILE A 99 7.802 -1.414 -4.304 1.00 0.00 C ATOM 1527 C ILE A 99 6.338 -1.549 -3.767 1.00 0.00 C ATOM 1528 O ILE A 99 6.287 -1.076 -2.642 1.00 0.00 O ATOM 1529 CB ILE A 99 7.938 -1.750 -5.806 1.00 0.00 C ATOM 1530 CG1 ILE A 99 9.401 -1.435 -6.169 1.00 0.00 C ATOM 1531 CG2 ILE A 99 7.089 -0.750 -6.578 1.00 0.00 C ATOM 1532 CD1 ILE A 99 9.813 -1.518 -7.609 1.00 0.00 C ATOM 0 H ILE A 99 8.433 -3.325 -3.947 1.00 0.00 H new ATOM 0 HA ILE A 99 8.100 -0.379 -4.140 1.00 0.00 H new ATOM 0 HB ILE A 99 7.648 -2.778 -6.024 1.00 0.00 H new ATOM 0 HG12 ILE A 99 9.620 -0.426 -5.819 1.00 0.00 H new ATOM 0 HG13 ILE A 99 10.037 -2.115 -5.602 1.00 0.00 H new ATOM 0 HG21 ILE A 99 7.162 -0.958 -7.645 1.00 0.00 H new ATOM 0 HG22 ILE A 99 6.049 -0.835 -6.262 1.00 0.00 H new ATOM 0 HG23 ILE A 99 7.447 0.260 -6.380 1.00 0.00 H new ATOM 0 HD11 ILE A 99 10.870 -1.268 -7.700 1.00 0.00 H new ATOM 0 HD12 ILE A 99 9.646 -2.530 -7.977 1.00 0.00 H new ATOM 0 HD13 ILE A 99 9.222 -0.816 -8.197 1.00 0.00 H new ATOM 1544 N GLN A 100 5.466 -2.116 -4.592 1.00 0.00 N ATOM 1545 CA GLN A 100 4.040 -2.324 -4.286 1.00 0.00 C ATOM 1546 C GLN A 100 3.433 -1.400 -5.393 1.00 0.00 C ATOM 1547 O GLN A 100 3.305 -0.224 -5.099 1.00 0.00 O ATOM 1548 CB GLN A 100 3.582 -1.875 -2.932 1.00 0.00 C ATOM 1549 CG GLN A 100 3.797 -2.764 -1.700 1.00 0.00 C ATOM 1550 CD GLN A 100 2.668 -2.415 -0.705 1.00 0.00 C ATOM 1551 OE1 GLN A 100 2.728 -1.513 0.117 1.00 0.00 O ATOM 1552 NE2 GLN A 100 1.592 -3.233 -0.846 1.00 0.00 N ATOM 0 H GLN A 100 5.729 -2.455 -5.517 1.00 0.00 H new ATOM 0 HA GLN A 100 3.760 -3.377 -4.274 1.00 0.00 H new ATOM 0 HB2 GLN A 100 4.068 -0.921 -2.728 1.00 0.00 H new ATOM 0 HB3 GLN A 100 2.512 -1.679 -3.004 1.00 0.00 H new ATOM 0 HG2 GLN A 100 3.762 -3.819 -1.972 1.00 0.00 H new ATOM 0 HG3 GLN A 100 4.776 -2.582 -1.256 1.00 0.00 H new ATOM 0 HE21 GLN A 100 1.600 -3.970 -1.551 1.00 0.00 H new ATOM 0 HE22 GLN A 100 0.776 -3.110 -0.246 1.00 0.00 H new ATOM 1561 N THR A 101 3.158 -2.106 -6.496 1.00 0.00 N ATOM 1562 CA THR A 101 2.597 -1.454 -7.626 1.00 0.00 C ATOM 1563 C THR A 101 1.160 -1.000 -7.589 1.00 0.00 C ATOM 1564 O THR A 101 0.771 -0.042 -8.208 1.00 0.00 O ATOM 1565 CB THR A 101 2.757 -2.198 -8.990 1.00 0.00 C ATOM 1566 OG1 THR A 101 3.959 -2.892 -9.081 1.00 0.00 O ATOM 1567 CG2 THR A 101 2.500 -1.282 -10.168 1.00 0.00 C ATOM 0 H THR A 101 3.320 -3.107 -6.605 1.00 0.00 H new ATOM 0 HA THR A 101 3.232 -0.571 -7.552 1.00 0.00 H new ATOM 0 HB THR A 101 1.980 -2.962 -9.029 1.00 0.00 H new ATOM 0 HG1 THR A 101 3.842 -3.798 -8.726 1.00 0.00 H new ATOM 0 HG21 THR A 101 2.622 -1.840 -11.096 1.00 0.00 H new ATOM 0 HG22 THR A 101 1.484 -0.891 -10.110 1.00 0.00 H new ATOM 0 HG23 THR A 101 3.209 -0.454 -10.147 1.00 0.00 H new ATOM 1575 N TYR A 102 0.470 -1.809 -6.794 1.00 0.00 N ATOM 1576 CA TYR A 102 -0.963 -1.499 -6.638 1.00 0.00 C ATOM 1577 C TYR A 102 -1.573 -1.636 -8.038 1.00 0.00 C ATOM 1578 O TYR A 102 -1.816 -0.612 -8.645 1.00 0.00 O ATOM 1579 CB TYR A 102 -1.161 -0.102 -6.100 1.00 0.00 C ATOM 1580 CG TYR A 102 -0.388 0.189 -4.865 1.00 0.00 C ATOM 1581 CD1 TYR A 102 -0.379 -0.547 -3.694 1.00 0.00 C ATOM 1582 CD2 TYR A 102 0.423 1.310 -4.854 1.00 0.00 C ATOM 1583 CE1 TYR A 102 0.386 -0.161 -2.620 1.00 0.00 C ATOM 1584 CE2 TYR A 102 1.170 1.663 -3.762 1.00 0.00 C ATOM 1585 CZ TYR A 102 1.143 0.984 -2.751 1.00 0.00 C ATOM 1586 OH TYR A 102 1.923 1.408 -1.701 1.00 0.00 O ATOM 0 H TYR A 102 0.828 -2.617 -6.284 1.00 0.00 H new ATOM 0 HA TYR A 102 -1.440 -2.172 -5.925 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -0.878 0.616 -6.870 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -2.221 0.050 -5.896 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -0.983 -1.439 -3.623 1.00 0.00 H new ATOM 0 HD2 TYR A 102 0.468 1.929 -5.738 1.00 0.00 H new ATOM 0 HE1 TYR A 102 0.394 -0.735 -1.705 1.00 0.00 H new ATOM 0 HE2 TYR A 102 1.787 2.549 -3.797 1.00 0.00 H new ATOM 0 HH TYR A 102 2.395 2.229 -1.954 1.00 0.00 H new ATOM 1596 N THR A 103 -1.768 -2.915 -8.434 1.00 0.00 N ATOM 1597 CA THR A 103 -2.354 -3.118 -9.757 1.00 0.00 C ATOM 1598 C THR A 103 -3.834 -2.814 -9.609 1.00 0.00 C ATOM 1599 O THR A 103 -4.682 -3.664 -9.522 1.00 0.00 O ATOM 1600 CB THR A 103 -2.100 -4.514 -10.286 1.00 0.00 C ATOM 1601 OG1 THR A 103 -0.730 -4.820 -10.495 1.00 0.00 O ATOM 1602 CG2 THR A 103 -2.817 -4.853 -11.593 1.00 0.00 C ATOM 0 H THR A 103 -1.546 -3.754 -7.899 1.00 0.00 H new ATOM 0 HA THR A 103 -1.895 -2.460 -10.495 1.00 0.00 H new ATOM 0 HB THR A 103 -2.508 -5.116 -9.474 1.00 0.00 H new ATOM 0 HG1 THR A 103 -0.655 -5.668 -10.980 1.00 0.00 H new ATOM 0 HG21 THR A 103 -2.571 -5.873 -11.889 1.00 0.00 H new ATOM 0 HG22 THR A 103 -3.894 -4.766 -11.450 1.00 0.00 H new ATOM 0 HG23 THR A 103 -2.497 -4.162 -12.373 1.00 0.00 H new ATOM 1610 N TYR A 104 -4.028 -1.469 -9.596 1.00 0.00 N ATOM 1611 CA TYR A 104 -5.385 -0.968 -9.467 1.00 0.00 C ATOM 1612 C TYR A 104 -5.947 -0.439 -10.774 1.00 0.00 C ATOM 1613 O TYR A 104 -5.423 0.513 -11.355 1.00 0.00 O ATOM 1614 CB TYR A 104 -5.319 0.022 -8.298 1.00 0.00 C ATOM 1615 CG TYR A 104 -6.402 1.037 -8.182 1.00 0.00 C ATOM 1616 CD1 TYR A 104 -7.660 0.865 -8.702 1.00 0.00 C ATOM 1617 CD2 TYR A 104 -6.241 2.242 -7.544 1.00 0.00 C ATOM 1618 CE1 TYR A 104 -8.631 1.848 -8.563 1.00 0.00 C ATOM 1619 CE2 TYR A 104 -7.268 3.176 -7.450 1.00 0.00 C ATOM 1620 CZ TYR A 104 -8.481 2.906 -8.001 1.00 0.00 C ATOM 1621 OH TYR A 104 -9.553 3.765 -7.962 1.00 0.00 O ATOM 0 H TYR A 104 -3.296 -0.762 -9.670 1.00 0.00 H new ATOM 0 HA TYR A 104 -6.114 -1.747 -9.242 1.00 0.00 H new ATOM 0 HB2 TYR A 104 -5.300 -0.554 -7.373 1.00 0.00 H new ATOM 0 HB3 TYR A 104 -4.369 0.553 -8.363 1.00 0.00 H new ATOM 0 HD1 TYR A 104 -7.899 -0.048 -9.227 1.00 0.00 H new ATOM 0 HD2 TYR A 104 -5.284 2.473 -7.100 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -9.601 1.650 -8.994 1.00 0.00 H new ATOM 0 HE2 TYR A 104 -7.102 4.114 -6.940 1.00 0.00 H new ATOM 0 HH TYR A 104 -9.301 4.580 -7.480 1.00 0.00 H new ATOM 1631 N GLU A 105 -7.012 -1.106 -11.187 1.00 0.00 N ATOM 1632 CA GLU A 105 -7.779 -0.868 -12.375 1.00 0.00 C ATOM 1633 C GLU A 105 -7.141 -0.038 -13.465 1.00 0.00 C ATOM 1634 O GLU A 105 -7.651 1.053 -13.789 1.00 0.00 O ATOM 1635 CB GLU A 105 -9.140 -0.259 -11.915 1.00 0.00 C ATOM 1636 CG GLU A 105 -10.069 -1.424 -11.520 1.00 0.00 C ATOM 1637 CD GLU A 105 -10.709 -2.066 -12.741 1.00 0.00 C ATOM 1638 OE1 GLU A 105 -10.131 -3.011 -13.316 1.00 0.00 O ATOM 1639 OE2 GLU A 105 -11.802 -1.575 -13.086 1.00 0.00 O ATOM 0 H GLU A 105 -7.383 -1.889 -10.649 1.00 0.00 H new ATOM 0 HA GLU A 105 -7.885 -1.831 -12.875 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -8.991 0.414 -11.071 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -9.585 0.330 -12.717 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -9.500 -2.174 -10.970 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -10.847 -1.059 -10.850 1.00 0.00 H new ATOM 1646 N GLY A 106 -6.030 -0.567 -14.021 1.00 0.00 N ATOM 1647 CA GLY A 106 -5.392 0.177 -15.052 1.00 0.00 C ATOM 1648 C GLY A 106 -4.249 1.094 -14.615 1.00 0.00 C ATOM 1649 O GLY A 106 -3.749 1.845 -15.452 1.00 0.00 O ATOM 0 H GLY A 106 -5.599 -1.457 -13.771 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -5.005 -0.524 -15.791 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -6.146 0.784 -15.553 1.00 0.00 H new ATOM 1653 N VAL A 107 -3.853 1.020 -13.327 1.00 0.00 N ATOM 1654 CA VAL A 107 -2.790 1.841 -12.853 1.00 0.00 C ATOM 1655 C VAL A 107 -1.634 1.108 -12.168 1.00 0.00 C ATOM 1656 O VAL A 107 -1.795 0.573 -11.069 1.00 0.00 O ATOM 1657 CB VAL A 107 -3.435 2.743 -11.782 1.00 0.00 C ATOM 1658 CG1 VAL A 107 -2.429 3.653 -11.082 1.00 0.00 C ATOM 1659 CG2 VAL A 107 -4.557 3.622 -12.326 1.00 0.00 C ATOM 0 H VAL A 107 -4.265 0.401 -12.629 1.00 0.00 H new ATOM 0 HA VAL A 107 -2.353 2.343 -13.717 1.00 0.00 H new ATOM 0 HB VAL A 107 -3.848 2.033 -11.066 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -2.945 4.263 -10.340 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -1.670 3.045 -10.589 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -1.953 4.302 -11.817 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -4.966 4.231 -11.519 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -4.164 4.272 -13.107 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -5.344 2.992 -12.740 1.00 0.00 H new ATOM 1669 N GLU A 108 -0.504 1.149 -12.929 1.00 0.00 N ATOM 1670 CA GLU A 108 0.693 0.480 -12.387 1.00 0.00 C ATOM 1671 C GLU A 108 1.408 1.549 -11.562 1.00 0.00 C ATOM 1672 O GLU A 108 2.385 2.097 -12.057 1.00 0.00 O ATOM 1673 CB GLU A 108 1.551 -0.118 -13.475 1.00 0.00 C ATOM 1674 CG GLU A 108 1.408 -1.650 -13.401 1.00 0.00 C ATOM 1675 CD GLU A 108 2.584 -2.299 -14.110 1.00 0.00 C ATOM 1676 OE1 GLU A 108 3.235 -1.689 -14.942 1.00 0.00 O ATOM 1677 OE2 GLU A 108 2.806 -3.470 -13.785 1.00 0.00 O ATOM 0 H GLU A 108 -0.404 1.598 -13.839 1.00 0.00 H new ATOM 0 HA GLU A 108 0.438 -0.378 -11.765 1.00 0.00 H new ATOM 0 HB2 GLU A 108 1.238 0.248 -14.453 1.00 0.00 H new ATOM 0 HB3 GLU A 108 2.593 0.175 -13.344 1.00 0.00 H new ATOM 0 HG2 GLU A 108 1.372 -1.974 -12.361 1.00 0.00 H new ATOM 0 HG3 GLU A 108 0.472 -1.962 -13.864 1.00 0.00 H new ATOM 1684 N ALA A 109 0.878 1.770 -10.345 1.00 0.00 N ATOM 1685 CA ALA A 109 1.516 2.758 -9.531 1.00 0.00 C ATOM 1686 C ALA A 109 2.698 2.272 -8.668 1.00 0.00 C ATOM 1687 O ALA A 109 2.465 1.937 -7.528 1.00 0.00 O ATOM 1688 CB ALA A 109 0.505 3.051 -8.400 1.00 0.00 C ATOM 0 H ALA A 109 0.065 1.302 -9.945 1.00 0.00 H new ATOM 0 HA ALA A 109 1.835 3.538 -10.222 1.00 0.00 H new ATOM 0 HB1 ALA A 109 0.919 3.803 -7.728 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -0.425 3.422 -8.831 1.00 0.00 H new ATOM 0 HB3 ALA A 109 0.307 2.135 -7.843 1.00 0.00 H new ATOM 1694 N LYS A 110 3.836 2.294 -9.328 1.00 0.00 N ATOM 1695 CA LYS A 110 4.985 1.863 -8.603 1.00 0.00 C ATOM 1696 C LYS A 110 5.614 3.057 -7.931 1.00 0.00 C ATOM 1697 O LYS A 110 5.519 4.151 -8.492 1.00 0.00 O ATOM 1698 CB LYS A 110 6.066 1.246 -9.537 1.00 0.00 C ATOM 1699 CG LYS A 110 5.437 -0.020 -10.142 1.00 0.00 C ATOM 1700 CD LYS A 110 6.459 -1.104 -10.530 1.00 0.00 C ATOM 1701 CE LYS A 110 6.980 -1.056 -11.962 1.00 0.00 C ATOM 1702 NZ LYS A 110 7.251 0.300 -12.450 1.00 0.00 N ATOM 0 H LYS A 110 3.978 2.585 -10.295 1.00 0.00 H new ATOM 0 HA LYS A 110 4.655 1.110 -7.887 1.00 0.00 H new ATOM 0 HB2 LYS A 110 6.353 1.950 -10.318 1.00 0.00 H new ATOM 0 HB3 LYS A 110 6.970 1.003 -8.979 1.00 0.00 H new ATOM 0 HG2 LYS A 110 4.731 -0.440 -9.425 1.00 0.00 H new ATOM 0 HG3 LYS A 110 4.865 0.259 -11.027 1.00 0.00 H new ATOM 0 HD2 LYS A 110 7.310 -1.030 -9.853 1.00 0.00 H new ATOM 0 HD3 LYS A 110 6.003 -2.080 -10.364 1.00 0.00 H new ATOM 0 HE2 LYS A 110 7.896 -1.644 -12.025 1.00 0.00 H new ATOM 0 HE3 LYS A 110 6.251 -1.529 -12.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 7.711 0.248 -13.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 6.357 0.824 -12.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 7.878 0.791 -11.781 1.00 0.00 H new ATOM 1716 N ARG A 111 6.200 2.721 -6.786 1.00 0.00 N ATOM 1717 CA ARG A 111 6.856 3.770 -6.005 1.00 0.00 C ATOM 1718 C ARG A 111 8.027 2.977 -5.351 1.00 0.00 C ATOM 1719 O ARG A 111 7.772 2.147 -4.506 1.00 0.00 O ATOM 1720 CB ARG A 111 5.936 4.421 -4.998 1.00 0.00 C ATOM 1721 CG ARG A 111 4.714 5.170 -5.550 1.00 0.00 C ATOM 1722 CD ARG A 111 5.122 6.256 -6.550 1.00 0.00 C ATOM 1723 NE ARG A 111 4.015 6.439 -7.476 1.00 0.00 N ATOM 1724 CZ ARG A 111 4.189 7.141 -8.610 1.00 0.00 C ATOM 1725 NH1 ARG A 111 5.330 7.716 -8.982 1.00 0.00 N ATOM 1726 NH2 ARG A 111 3.102 7.256 -9.409 1.00 0.00 N ATOM 0 H ARG A 111 6.237 1.781 -6.391 1.00 0.00 H new ATOM 0 HA ARG A 111 7.184 4.624 -6.598 1.00 0.00 H new ATOM 0 HB2 ARG A 111 5.580 3.649 -4.316 1.00 0.00 H new ATOM 0 HB3 ARG A 111 6.524 5.122 -4.406 1.00 0.00 H new ATOM 0 HG2 ARG A 111 4.041 4.462 -6.035 1.00 0.00 H new ATOM 0 HG3 ARG A 111 4.161 5.622 -4.727 1.00 0.00 H new ATOM 0 HD2 ARG A 111 5.346 7.189 -6.032 1.00 0.00 H new ATOM 0 HD3 ARG A 111 6.025 5.964 -7.086 1.00 0.00 H new ATOM 0 HE ARG A 111 3.103 6.033 -7.264 1.00 0.00 H new ATOM 0 HH11 ARG A 111 6.156 7.640 -8.389 1.00 0.00 H new ATOM 0 HH12 ARG A 111 5.378 8.232 -9.860 1.00 0.00 H new ATOM 0 HH21 ARG A 111 2.220 6.823 -9.135 1.00 0.00 H new ATOM 0 HH22 ARG A 111 3.165 7.776 -10.284 1.00 0.00 H new ATOM 1740 N ILE A 112 9.212 3.377 -5.873 1.00 0.00 N ATOM 1741 CA ILE A 112 10.326 2.675 -5.299 1.00 0.00 C ATOM 1742 C ILE A 112 10.728 3.269 -3.926 1.00 0.00 C ATOM 1743 O ILE A 112 10.931 4.474 -3.819 1.00 0.00 O ATOM 1744 CB ILE A 112 11.539 2.549 -6.221 1.00 0.00 C ATOM 1745 CG1 ILE A 112 11.055 2.380 -7.668 1.00 0.00 C ATOM 1746 CG2 ILE A 112 12.427 1.349 -6.008 1.00 0.00 C ATOM 1747 CD1 ILE A 112 12.185 2.325 -8.706 1.00 0.00 C ATOM 0 H ILE A 112 9.390 4.082 -6.588 1.00 0.00 H new ATOM 0 HA ILE A 112 9.968 1.656 -5.149 1.00 0.00 H new ATOM 0 HB ILE A 112 12.109 3.452 -6.004 1.00 0.00 H new ATOM 0 HG12 ILE A 112 10.467 1.465 -7.738 1.00 0.00 H new ATOM 0 HG13 ILE A 112 10.389 3.207 -7.916 1.00 0.00 H new ATOM 0 HG21 ILE A 112 13.250 1.374 -6.722 1.00 0.00 H new ATOM 0 HG22 ILE A 112 12.826 1.367 -4.994 1.00 0.00 H new ATOM 0 HG23 ILE A 112 11.848 0.437 -6.154 1.00 0.00 H new ATOM 0 HD11 ILE A 112 11.759 2.204 -9.702 1.00 0.00 H new ATOM 0 HD12 ILE A 112 12.760 3.250 -8.667 1.00 0.00 H new ATOM 0 HD13 ILE A 112 12.839 1.481 -8.487 1.00 0.00 H new ATOM 1759 N PHE A 113 10.780 2.289 -3.046 1.00 0.00 N ATOM 1760 CA PHE A 113 11.136 2.535 -1.664 1.00 0.00 C ATOM 1761 C PHE A 113 12.201 1.490 -1.342 1.00 0.00 C ATOM 1762 O PHE A 113 12.831 1.093 -2.310 1.00 0.00 O ATOM 1763 CB PHE A 113 10.009 2.498 -0.666 1.00 0.00 C ATOM 1764 CG PHE A 113 8.749 3.211 -1.037 1.00 0.00 C ATOM 1765 CD1 PHE A 113 8.600 4.590 -0.931 1.00 0.00 C ATOM 1766 CD2 PHE A 113 7.657 2.495 -1.508 1.00 0.00 C ATOM 1767 CE1 PHE A 113 7.390 5.122 -1.300 1.00 0.00 C ATOM 1768 CE2 PHE A 113 6.488 3.154 -1.849 1.00 0.00 C ATOM 1769 CZ PHE A 113 6.360 4.343 -1.755 1.00 0.00 C ATOM 0 H PHE A 113 10.580 1.313 -3.265 1.00 0.00 H new ATOM 0 HA PHE A 113 11.483 3.564 -1.570 1.00 0.00 H new ATOM 0 HB2 PHE A 113 9.763 1.454 -0.472 1.00 0.00 H new ATOM 0 HB3 PHE A 113 10.373 2.919 0.271 1.00 0.00 H new ATOM 0 HD1 PHE A 113 9.404 5.216 -0.573 1.00 0.00 H new ATOM 0 HD2 PHE A 113 7.719 1.422 -1.609 1.00 0.00 H new ATOM 0 HE1 PHE A 113 7.245 6.190 -1.229 1.00 0.00 H new ATOM 0 HE2 PHE A 113 5.655 2.572 -2.216 1.00 0.00 H new ATOM 0 HZ PHE A 113 5.423 4.804 -2.032 1.00 0.00 H new ATOM 1779 N LYS A 114 12.288 1.179 -0.040 1.00 0.00 N ATOM 1780 CA LYS A 114 13.309 0.236 0.349 1.00 0.00 C ATOM 1781 C LYS A 114 13.154 -0.269 1.782 1.00 0.00 C ATOM 1782 O LYS A 114 12.111 -0.599 2.272 1.00 0.00 O ATOM 1783 CB LYS A 114 14.685 0.826 0.013 1.00 0.00 C ATOM 1784 CG LYS A 114 15.117 2.133 0.691 1.00 0.00 C ATOM 1785 CD LYS A 114 13.858 2.799 1.324 1.00 0.00 C ATOM 1786 CE LYS A 114 14.082 4.027 2.204 1.00 0.00 C ATOM 1787 NZ LYS A 114 15.434 4.251 2.679 1.00 0.00 N ATOM 0 H LYS A 114 11.699 1.546 0.708 1.00 0.00 H new ATOM 0 HA LYS A 114 13.195 -0.679 -0.233 1.00 0.00 H new ATOM 0 HB2 LYS A 114 15.434 0.070 0.248 1.00 0.00 H new ATOM 0 HB3 LYS A 114 14.721 0.986 -1.065 1.00 0.00 H new ATOM 0 HG2 LYS A 114 15.866 1.933 1.457 1.00 0.00 H new ATOM 0 HG3 LYS A 114 15.576 2.804 -0.036 1.00 0.00 H new ATOM 0 HD2 LYS A 114 13.184 3.082 0.516 1.00 0.00 H new ATOM 0 HD3 LYS A 114 13.342 2.046 1.920 1.00 0.00 H new ATOM 0 HE2 LYS A 114 13.768 4.908 1.645 1.00 0.00 H new ATOM 0 HE3 LYS A 114 13.426 3.949 3.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 15.459 5.111 3.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 15.741 3.437 3.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 16.073 4.366 1.866 1.00 0.00 H new ATOM 1801 N LYS A 115 14.298 -0.346 2.444 1.00 0.00 N ATOM 1802 CA LYS A 115 14.457 -0.828 3.808 1.00 0.00 C ATOM 1803 C LYS A 115 15.374 -0.037 4.675 1.00 0.00 C ATOM 1804 O LYS A 115 16.250 0.695 4.244 1.00 0.00 O ATOM 1805 CB LYS A 115 14.996 -2.272 3.587 1.00 0.00 C ATOM 1806 CG LYS A 115 14.729 -3.130 4.831 1.00 0.00 C ATOM 1807 CD LYS A 115 15.701 -4.336 4.826 1.00 0.00 C ATOM 1808 CE LYS A 115 15.033 -5.648 5.125 1.00 0.00 C ATOM 1809 NZ LYS A 115 15.766 -6.576 5.966 1.00 0.00 N ATOM 0 H LYS A 115 15.183 -0.061 2.025 1.00 0.00 H new ATOM 0 HA LYS A 115 13.517 -0.756 4.356 1.00 0.00 H new ATOM 0 HB2 LYS A 115 14.515 -2.719 2.717 1.00 0.00 H new ATOM 0 HB3 LYS A 115 16.066 -2.242 3.379 1.00 0.00 H new ATOM 0 HG2 LYS A 115 14.868 -2.537 5.735 1.00 0.00 H new ATOM 0 HG3 LYS A 115 13.696 -3.478 4.834 1.00 0.00 H new ATOM 0 HD2 LYS A 115 16.185 -4.398 3.851 1.00 0.00 H new ATOM 0 HD3 LYS A 115 16.487 -4.162 5.561 1.00 0.00 H new ATOM 0 HE2 LYS A 115 14.075 -5.441 5.601 1.00 0.00 H new ATOM 0 HE3 LYS A 115 14.818 -6.144 4.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 15.204 -7.441 6.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 16.670 -6.817 5.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 15.950 -6.136 6.890 1.00 0.00 H new ATOM 1823 N GLU A 116 15.155 -0.212 5.997 1.00 0.00 N ATOM 1824 CA GLU A 116 15.932 0.451 6.979 1.00 0.00 C ATOM 1825 C GLU A 116 17.391 -0.097 7.051 1.00 0.00 C ATOM 1826 O GLU A 116 17.669 -0.836 7.989 1.00 0.00 O ATOM 1827 CB GLU A 116 15.207 0.234 8.337 1.00 0.00 C ATOM 1828 CG GLU A 116 13.996 1.100 8.566 1.00 0.00 C ATOM 1829 CD GLU A 116 14.215 2.021 9.805 1.00 0.00 C ATOM 1830 OE1 GLU A 116 15.396 2.314 10.041 1.00 0.00 O ATOM 1831 OE2 GLU A 116 13.234 2.388 10.447 1.00 0.00 O ATOM 1832 OXT GLU A 116 18.194 0.238 6.187 1.00 0.00 O ATOM 0 H GLU A 116 14.430 -0.821 6.376 1.00 0.00 H new ATOM 0 HA GLU A 116 16.020 1.508 6.729 1.00 0.00 H new ATOM 0 HB2 GLU A 116 14.904 -0.811 8.405 1.00 0.00 H new ATOM 0 HB3 GLU A 116 15.919 0.413 9.143 1.00 0.00 H new ATOM 0 HG2 GLU A 116 13.803 1.708 7.682 1.00 0.00 H new ATOM 0 HG3 GLU A 116 13.117 0.474 8.721 1.00 0.00 H new