USER MOD reduce.3.24.130724 H: found=0, std=0, add=717, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 717 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 LYS NZ :NH3+ -140:sc= -0.0543 (180deg=-0.506) USER MOD Single : A 10 SER OG : rot -17:sc= 0.762 USER MOD Single : A 12 SER OG : rot -34:sc= 0.0112 USER MOD Single : A 13 THR OG1 : rot 67:sc= 0.682 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 112:sc= 0.427 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 HIS : no HD1:sc= 0 X(o=0,f=-0.0067) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 TYR OH : rot -88:sc= 1.23 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot -160:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= 0.689 K(o=0.69,f=-4.7!) USER MOD Single : A 43 TYR OH : rot 180:sc=-0.00407 USER MOD Single : A 48 THR OG1 : rot 90:sc= -0.336 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 160:sc= -0.577 USER MOD Single : A 58 LYS NZ :NH3+ 162:sc= -0.663 (180deg=-1.31) USER MOD Single : A 59 GLN : amide:sc= -0.0468 K(o=-0.047,f=-1.8!) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 63 SER OG : rot 180:sc= -0.0161 USER MOD Single : A 70 ASN : amide:sc= -0.462 K(o=-0.46,f=-2.3!) USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 ASN : amide:sc= -1.65! K(o=-1.6!,f=-0.043) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 11:sc= 0.448 USER MOD Single : A 83 SER OG : rot -140:sc= -0.0236 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 31:sc= 0.342 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 14 N ASP A 2 -10.351 -2.771 -2.089 1.00 0.00 N ATOM 15 CA ASP A 2 -9.947 -4.190 -1.875 1.00 0.00 C ATOM 16 C ASP A 2 -8.421 -4.299 -1.769 1.00 0.00 C ATOM 17 O ASP A 2 -7.688 -3.584 -2.420 1.00 0.00 O ATOM 18 CB ASP A 2 -10.444 -5.031 -3.055 1.00 0.00 C ATOM 19 CG ASP A 2 -10.154 -6.512 -2.803 1.00 0.00 C ATOM 20 OD1 ASP A 2 -9.491 -6.810 -1.826 1.00 0.00 O ATOM 21 OD2 ASP A 2 -10.602 -7.324 -3.597 1.00 0.00 O ATOM 0 HA ASP A 2 -10.386 -4.555 -0.946 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -11.515 -4.880 -3.194 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -9.955 -4.708 -3.974 1.00 0.00 H new ATOM 26 N LEU A 3 -7.947 -5.199 -0.950 1.00 0.00 N ATOM 27 CA LEU A 3 -6.479 -5.379 -0.785 1.00 0.00 C ATOM 28 C LEU A 3 -5.893 -6.033 -2.039 1.00 0.00 C ATOM 29 O LEU A 3 -6.388 -7.033 -2.514 1.00 0.00 O ATOM 30 CB LEU A 3 -6.238 -6.277 0.433 1.00 0.00 C ATOM 31 CG LEU A 3 -4.749 -6.606 0.577 1.00 0.00 C ATOM 32 CD1 LEU A 3 -3.924 -5.311 0.622 1.00 0.00 C ATOM 33 CD2 LEU A 3 -4.548 -7.391 1.875 1.00 0.00 C ATOM 0 H LEU A 3 -8.522 -5.823 -0.383 1.00 0.00 H new ATOM 0 HA LEU A 3 -5.996 -4.413 -0.639 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -6.594 -5.779 1.335 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -6.811 -7.199 0.331 1.00 0.00 H new ATOM 0 HG LEU A 3 -4.418 -7.199 -0.276 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -2.867 -5.556 0.725 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -4.078 -4.749 -0.299 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -4.240 -4.707 1.473 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -3.492 -7.634 1.994 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -4.879 -6.787 2.720 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -5.130 -8.312 1.837 1.00 0.00 H new ATOM 45 N VAL A 4 -4.836 -5.468 -2.580 1.00 0.00 N ATOM 46 CA VAL A 4 -4.206 -6.049 -3.809 1.00 0.00 C ATOM 47 C VAL A 4 -2.686 -6.078 -3.643 1.00 0.00 C ATOM 48 O VAL A 4 -2.129 -5.443 -2.771 1.00 0.00 O ATOM 49 CB VAL A 4 -4.566 -5.197 -5.023 1.00 0.00 C ATOM 50 CG1 VAL A 4 -6.087 -5.157 -5.174 1.00 0.00 C ATOM 51 CG2 VAL A 4 -4.030 -3.778 -4.830 1.00 0.00 C ATOM 0 H VAL A 4 -4.383 -4.628 -2.221 1.00 0.00 H new ATOM 0 HA VAL A 4 -4.576 -7.064 -3.955 1.00 0.00 H new ATOM 0 HB VAL A 4 -4.121 -5.628 -5.920 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -6.351 -4.550 -6.040 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -6.466 -6.170 -5.312 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -6.530 -4.723 -4.278 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -4.288 -3.171 -5.698 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -4.473 -3.340 -3.936 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -2.946 -3.810 -4.719 1.00 0.00 H new ATOM 61 N LYS A 5 -2.019 -6.827 -4.474 1.00 0.00 N ATOM 62 CA LYS A 5 -0.537 -6.931 -4.380 1.00 0.00 C ATOM 63 C LYS A 5 0.131 -5.719 -5.040 1.00 0.00 C ATOM 64 O LYS A 5 -0.456 -5.042 -5.859 1.00 0.00 O ATOM 65 CB LYS A 5 -0.093 -8.207 -5.088 1.00 0.00 C ATOM 66 CG LYS A 5 -0.577 -9.424 -4.299 1.00 0.00 C ATOM 67 CD LYS A 5 -0.168 -10.704 -5.032 1.00 0.00 C ATOM 68 CE LYS A 5 -0.706 -11.921 -4.275 1.00 0.00 C ATOM 69 NZ LYS A 5 -0.128 -11.950 -2.901 1.00 0.00 N ATOM 0 H LYS A 5 -2.441 -7.377 -5.222 1.00 0.00 H new ATOM 0 HA LYS A 5 -0.243 -6.957 -3.331 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -0.496 -8.233 -6.100 1.00 0.00 H new ATOM 0 HB3 LYS A 5 0.993 -8.227 -5.177 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -0.149 -9.414 -3.296 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -1.660 -9.389 -4.184 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -0.559 -10.694 -6.049 1.00 0.00 H new ATOM 0 HD3 LYS A 5 0.918 -10.761 -5.108 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -1.794 -11.877 -4.222 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -0.449 -12.836 -4.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 0.107 -12.930 -2.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 0.734 -11.369 -2.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -0.821 -11.571 -2.225 1.00 0.00 H new ATOM 83 N ILE A 6 1.362 -5.451 -4.683 1.00 0.00 N ATOM 84 CA ILE A 6 2.090 -4.291 -5.278 1.00 0.00 C ATOM 85 C ILE A 6 2.257 -4.518 -6.785 1.00 0.00 C ATOM 86 O ILE A 6 2.033 -3.630 -7.584 1.00 0.00 O ATOM 87 CB ILE A 6 3.478 -4.179 -4.616 1.00 0.00 C ATOM 88 CG1 ILE A 6 3.348 -3.517 -3.238 1.00 0.00 C ATOM 89 CG2 ILE A 6 4.415 -3.331 -5.492 1.00 0.00 C ATOM 90 CD1 ILE A 6 2.260 -4.216 -2.421 1.00 0.00 C ATOM 0 H ILE A 6 1.896 -5.990 -4.001 1.00 0.00 H new ATOM 0 HA ILE A 6 1.528 -3.372 -5.111 1.00 0.00 H new ATOM 0 HB ILE A 6 3.892 -5.181 -4.505 1.00 0.00 H new ATOM 0 HG12 ILE A 6 4.300 -3.568 -2.710 1.00 0.00 H new ATOM 0 HG13 ILE A 6 3.105 -2.461 -3.354 1.00 0.00 H new ATOM 0 HG21 ILE A 6 5.392 -3.258 -5.015 1.00 0.00 H new ATOM 0 HG22 ILE A 6 4.522 -3.800 -6.470 1.00 0.00 H new ATOM 0 HG23 ILE A 6 3.995 -2.332 -5.613 1.00 0.00 H new ATOM 0 HD11 ILE A 6 2.175 -3.739 -1.445 1.00 0.00 H new ATOM 0 HD12 ILE A 6 1.307 -4.142 -2.945 1.00 0.00 H new ATOM 0 HD13 ILE A 6 2.521 -5.266 -2.290 1.00 0.00 H new ATOM 102 N ARG A 7 2.653 -5.697 -7.171 1.00 0.00 N ATOM 103 CA ARG A 7 2.847 -5.984 -8.617 1.00 0.00 C ATOM 104 C ARG A 7 1.511 -5.865 -9.354 1.00 0.00 C ATOM 105 O ARG A 7 1.472 -5.690 -10.556 1.00 0.00 O ATOM 106 CB ARG A 7 3.413 -7.397 -8.784 1.00 0.00 C ATOM 107 CG ARG A 7 4.893 -7.405 -8.397 1.00 0.00 C ATOM 108 CD ARG A 7 5.447 -8.823 -8.538 1.00 0.00 C ATOM 109 NE ARG A 7 6.894 -8.838 -8.165 1.00 0.00 N ATOM 110 CZ ARG A 7 7.818 -8.638 -9.073 1.00 0.00 C ATOM 111 NH1 ARG A 7 7.487 -8.410 -10.316 1.00 0.00 N ATOM 112 NH2 ARG A 7 9.079 -8.664 -8.733 1.00 0.00 N ATOM 0 H ARG A 7 2.851 -6.477 -6.544 1.00 0.00 H new ATOM 0 HA ARG A 7 3.548 -5.263 -9.039 1.00 0.00 H new ATOM 0 HB2 ARG A 7 2.859 -8.098 -8.159 1.00 0.00 H new ATOM 0 HB3 ARG A 7 3.295 -7.728 -9.816 1.00 0.00 H new ATOM 0 HG2 ARG A 7 5.451 -6.720 -9.035 1.00 0.00 H new ATOM 0 HG3 ARG A 7 5.014 -7.056 -7.372 1.00 0.00 H new ATOM 0 HD2 ARG A 7 4.889 -9.507 -7.898 1.00 0.00 H new ATOM 0 HD3 ARG A 7 5.322 -9.172 -9.563 1.00 0.00 H new ATOM 0 HE ARG A 7 7.165 -9.005 -7.196 1.00 0.00 H new ATOM 0 HH11 ARG A 7 6.504 -8.387 -10.586 1.00 0.00 H new ATOM 0 HH12 ARG A 7 8.212 -8.255 -11.017 1.00 0.00 H new ATOM 0 HH21 ARG A 7 9.342 -8.840 -7.763 1.00 0.00 H new ATOM 0 HH22 ARG A 7 9.800 -8.509 -9.437 1.00 0.00 H new ATOM 126 N ASP A 8 0.420 -5.954 -8.645 1.00 0.00 N ATOM 127 CA ASP A 8 -0.913 -5.843 -9.302 1.00 0.00 C ATOM 128 C ASP A 8 -1.325 -4.369 -9.379 1.00 0.00 C ATOM 129 O ASP A 8 -2.362 -4.035 -9.918 1.00 0.00 O ATOM 130 CB ASP A 8 -1.942 -6.613 -8.471 1.00 0.00 C ATOM 131 CG ASP A 8 -3.242 -6.761 -9.261 1.00 0.00 C ATOM 132 OD1 ASP A 8 -3.339 -6.172 -10.324 1.00 0.00 O ATOM 133 OD2 ASP A 8 -4.121 -7.466 -8.788 1.00 0.00 O ATOM 0 H ASP A 8 0.394 -6.099 -7.636 1.00 0.00 H new ATOM 0 HA ASP A 8 -0.863 -6.257 -10.309 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -1.550 -7.596 -8.211 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -2.133 -6.088 -7.535 1.00 0.00 H new ATOM 138 N VAL A 9 -0.527 -3.485 -8.839 1.00 0.00 N ATOM 139 CA VAL A 9 -0.881 -2.036 -8.872 1.00 0.00 C ATOM 140 C VAL A 9 -0.770 -1.499 -10.300 1.00 0.00 C ATOM 141 O VAL A 9 0.202 -1.730 -10.989 1.00 0.00 O ATOM 142 CB VAL A 9 0.074 -1.261 -7.959 1.00 0.00 C ATOM 143 CG1 VAL A 9 -0.167 0.243 -8.115 1.00 0.00 C ATOM 144 CG2 VAL A 9 -0.183 -1.668 -6.506 1.00 0.00 C ATOM 0 H VAL A 9 0.355 -3.705 -8.376 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.907 -1.911 -8.525 1.00 0.00 H new ATOM 0 HB VAL A 9 1.104 -1.489 -8.232 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.515 0.790 -7.464 1.00 0.00 H new ATOM 0 HG12 VAL A 9 0.009 0.534 -9.151 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.196 0.477 -7.842 1.00 0.00 H new ATOM 0 HG21 VAL A 9 0.493 -1.120 -5.850 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -1.214 -1.436 -6.240 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -0.011 -2.738 -6.392 1.00 0.00 H new ATOM 154 N SER A 10 -1.767 -0.779 -10.745 1.00 0.00 N ATOM 155 CA SER A 10 -1.727 -0.219 -12.126 1.00 0.00 C ATOM 156 C SER A 10 -2.679 0.977 -12.222 1.00 0.00 C ATOM 157 O SER A 10 -3.435 1.261 -11.316 1.00 0.00 O ATOM 158 CB SER A 10 -2.161 -1.288 -13.126 1.00 0.00 C ATOM 159 OG SER A 10 -1.291 -2.409 -13.025 1.00 0.00 O ATOM 0 H SER A 10 -2.607 -0.555 -10.211 1.00 0.00 H new ATOM 0 HA SER A 10 -0.711 0.102 -12.353 1.00 0.00 H new ATOM 0 HB2 SER A 10 -3.189 -1.592 -12.927 1.00 0.00 H new ATOM 0 HB3 SER A 10 -2.138 -0.886 -14.139 1.00 0.00 H new ATOM 0 HG SER A 10 -0.475 -2.148 -12.550 1.00 0.00 H new ATOM 165 N LEU A 11 -2.649 1.671 -13.325 1.00 0.00 N ATOM 166 CA LEU A 11 -3.547 2.843 -13.502 1.00 0.00 C ATOM 167 C LEU A 11 -5.007 2.381 -13.481 1.00 0.00 C ATOM 168 O LEU A 11 -5.867 3.040 -12.932 1.00 0.00 O ATOM 169 CB LEU A 11 -3.242 3.506 -14.846 1.00 0.00 C ATOM 170 CG LEU A 11 -1.853 4.159 -14.803 1.00 0.00 C ATOM 171 CD1 LEU A 11 -1.468 4.602 -16.216 1.00 0.00 C ATOM 172 CD2 LEU A 11 -1.856 5.377 -13.854 1.00 0.00 C ATOM 0 H LEU A 11 -2.036 1.474 -14.116 1.00 0.00 H new ATOM 0 HA LEU A 11 -3.384 3.555 -12.693 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -3.280 2.765 -15.644 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -4.000 4.257 -15.071 1.00 0.00 H new ATOM 0 HG LEU A 11 -1.128 3.436 -14.430 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -0.482 5.067 -16.196 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -1.446 3.735 -16.876 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -2.201 5.320 -16.584 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -0.863 5.827 -13.836 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -2.581 6.111 -14.206 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -2.126 5.054 -12.849 1.00 0.00 H new ATOM 184 N SER A 12 -5.290 1.255 -14.076 1.00 0.00 N ATOM 185 CA SER A 12 -6.692 0.753 -14.098 1.00 0.00 C ATOM 186 C SER A 12 -7.231 0.660 -12.671 1.00 0.00 C ATOM 187 O SER A 12 -8.425 0.574 -12.457 1.00 0.00 O ATOM 188 CB SER A 12 -6.725 -0.630 -14.744 1.00 0.00 C ATOM 189 OG SER A 12 -8.070 -1.084 -14.807 1.00 0.00 O ATOM 0 H SER A 12 -4.609 0.660 -14.549 1.00 0.00 H new ATOM 0 HA SER A 12 -7.312 1.441 -14.672 1.00 0.00 H new ATOM 0 HB2 SER A 12 -6.296 -0.587 -15.745 1.00 0.00 H new ATOM 0 HB3 SER A 12 -6.119 -1.329 -14.167 1.00 0.00 H new ATOM 0 HG SER A 12 -8.564 -0.753 -14.028 1.00 0.00 H new ATOM 195 N THR A 13 -6.360 0.675 -11.692 1.00 0.00 N ATOM 196 CA THR A 13 -6.806 0.588 -10.268 1.00 0.00 C ATOM 197 C THR A 13 -6.469 1.908 -9.553 1.00 0.00 C ATOM 198 O THR A 13 -5.477 2.006 -8.855 1.00 0.00 O ATOM 199 CB THR A 13 -6.071 -0.577 -9.601 1.00 0.00 C ATOM 200 OG1 THR A 13 -4.745 -0.188 -9.259 1.00 0.00 O ATOM 201 CG2 THR A 13 -6.023 -1.760 -10.569 1.00 0.00 C ATOM 0 H THR A 13 -5.351 0.744 -11.821 1.00 0.00 H new ATOM 0 HA THR A 13 -7.882 0.421 -10.212 1.00 0.00 H new ATOM 0 HB THR A 13 -6.600 -0.863 -8.692 1.00 0.00 H new ATOM 0 HG1 THR A 13 -4.775 0.495 -8.557 1.00 0.00 H new ATOM 0 HG21 THR A 13 -5.500 -2.593 -10.099 1.00 0.00 H new ATOM 0 HG22 THR A 13 -7.039 -2.065 -10.822 1.00 0.00 H new ATOM 0 HG23 THR A 13 -5.496 -1.466 -11.477 1.00 0.00 H new ATOM 209 N PRO A 14 -7.279 2.929 -9.744 1.00 0.00 N ATOM 210 CA PRO A 14 -7.038 4.266 -9.119 1.00 0.00 C ATOM 211 C PRO A 14 -7.278 4.253 -7.609 1.00 0.00 C ATOM 212 O PRO A 14 -6.796 5.106 -6.892 1.00 0.00 O ATOM 213 CB PRO A 14 -8.033 5.193 -9.834 1.00 0.00 C ATOM 214 CG PRO A 14 -9.143 4.297 -10.282 1.00 0.00 C ATOM 215 CD PRO A 14 -8.514 2.926 -10.557 1.00 0.00 C ATOM 0 HA PRO A 14 -6.002 4.587 -9.231 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -8.400 5.971 -9.164 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -7.566 5.696 -10.681 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -9.915 4.223 -9.516 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -9.621 4.691 -11.179 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -9.182 2.115 -10.266 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -8.294 2.793 -11.616 1.00 0.00 H new ATOM 223 N TYR A 15 -8.025 3.292 -7.124 1.00 0.00 N ATOM 224 CA TYR A 15 -8.311 3.209 -5.658 1.00 0.00 C ATOM 225 C TYR A 15 -8.060 1.783 -5.175 1.00 0.00 C ATOM 226 O TYR A 15 -8.790 0.871 -5.505 1.00 0.00 O ATOM 227 CB TYR A 15 -9.773 3.578 -5.409 1.00 0.00 C ATOM 228 CG TYR A 15 -9.967 5.046 -5.702 1.00 0.00 C ATOM 229 CD1 TYR A 15 -9.417 6.003 -4.842 1.00 0.00 C ATOM 230 CD2 TYR A 15 -10.687 5.452 -6.832 1.00 0.00 C ATOM 231 CE1 TYR A 15 -9.586 7.367 -5.110 1.00 0.00 C ATOM 232 CE2 TYR A 15 -10.857 6.815 -7.101 1.00 0.00 C ATOM 233 CZ TYR A 15 -10.307 7.772 -6.240 1.00 0.00 C ATOM 234 OH TYR A 15 -10.474 9.116 -6.504 1.00 0.00 O ATOM 0 H TYR A 15 -8.452 2.556 -7.686 1.00 0.00 H new ATOM 0 HA TYR A 15 -7.662 3.898 -5.117 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -10.426 2.978 -6.043 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -10.045 3.361 -4.376 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -8.862 5.689 -3.971 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -11.111 4.713 -7.496 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -9.161 8.105 -4.446 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -11.412 7.128 -7.973 1.00 0.00 H new ATOM 0 HH TYR A 15 -10.997 9.225 -7.326 1.00 0.00 H new ATOM 244 N VAL A 16 -7.026 1.581 -4.397 1.00 0.00 N ATOM 245 CA VAL A 16 -6.726 0.204 -3.892 1.00 0.00 C ATOM 246 C VAL A 16 -6.220 0.266 -2.453 1.00 0.00 C ATOM 247 O VAL A 16 -5.827 1.305 -1.962 1.00 0.00 O ATOM 248 CB VAL A 16 -5.660 -0.449 -4.769 1.00 0.00 C ATOM 249 CG1 VAL A 16 -6.223 -0.682 -6.168 1.00 0.00 C ATOM 250 CG2 VAL A 16 -4.434 0.461 -4.862 1.00 0.00 C ATOM 0 H VAL A 16 -6.378 2.307 -4.090 1.00 0.00 H new ATOM 0 HA VAL A 16 -7.643 -0.385 -3.926 1.00 0.00 H new ATOM 0 HB VAL A 16 -5.369 -1.402 -4.327 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -5.462 -1.148 -6.794 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -7.092 -1.337 -6.106 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -6.518 0.272 -6.605 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -3.677 -0.011 -5.489 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -4.723 1.417 -5.299 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -4.027 0.626 -3.864 1.00 0.00 H new ATOM 260 N SER A 17 -6.226 -0.857 -1.778 1.00 0.00 N ATOM 261 CA SER A 17 -5.745 -0.915 -0.365 1.00 0.00 C ATOM 262 C SER A 17 -4.466 -1.754 -0.313 1.00 0.00 C ATOM 263 O SER A 17 -4.342 -2.742 -1.007 1.00 0.00 O ATOM 264 CB SER A 17 -6.815 -1.573 0.505 1.00 0.00 C ATOM 265 OG SER A 17 -6.276 -1.829 1.794 1.00 0.00 O ATOM 0 H SER A 17 -6.549 -1.749 -2.153 1.00 0.00 H new ATOM 0 HA SER A 17 -5.545 0.092 0.002 1.00 0.00 H new ATOM 0 HB2 SER A 17 -7.686 -0.923 0.585 1.00 0.00 H new ATOM 0 HB3 SER A 17 -7.152 -2.503 0.047 1.00 0.00 H new ATOM 0 HG SER A 17 -6.709 -1.246 2.452 1.00 0.00 H new ATOM 271 N VAL A 18 -3.508 -1.365 0.494 1.00 0.00 N ATOM 272 CA VAL A 18 -2.227 -2.143 0.582 1.00 0.00 C ATOM 273 C VAL A 18 -1.825 -2.314 2.048 1.00 0.00 C ATOM 274 O VAL A 18 -2.206 -1.539 2.902 1.00 0.00 O ATOM 275 CB VAL A 18 -1.126 -1.383 -0.159 1.00 0.00 C ATOM 276 CG1 VAL A 18 0.062 -2.316 -0.413 1.00 0.00 C ATOM 277 CG2 VAL A 18 -1.674 -0.872 -1.494 1.00 0.00 C ATOM 0 H VAL A 18 -3.556 -0.543 1.096 1.00 0.00 H new ATOM 0 HA VAL A 18 -2.368 -3.125 0.131 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.795 -0.539 0.446 1.00 0.00 H new ATOM 0 HG11 VAL A 18 0.845 -1.772 -0.941 1.00 0.00 H new ATOM 0 HG12 VAL A 18 0.450 -2.678 0.539 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -0.263 -3.163 -1.018 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -0.892 -0.330 -2.025 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.005 -1.716 -2.099 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.517 -0.206 -1.310 1.00 0.00 H new ATOM 287 N ILE A 19 -1.050 -3.328 2.345 1.00 0.00 N ATOM 288 CA ILE A 19 -0.610 -3.559 3.756 1.00 0.00 C ATOM 289 C ILE A 19 0.847 -4.002 3.765 1.00 0.00 C ATOM 290 O ILE A 19 1.243 -4.873 3.016 1.00 0.00 O ATOM 291 CB ILE A 19 -1.473 -4.652 4.388 1.00 0.00 C ATOM 292 CG1 ILE A 19 -1.088 -4.809 5.861 1.00 0.00 C ATOM 293 CG2 ILE A 19 -1.243 -5.978 3.654 1.00 0.00 C ATOM 294 CD1 ILE A 19 -2.137 -5.663 6.575 1.00 0.00 C ATOM 0 H ILE A 19 -0.702 -4.008 1.669 1.00 0.00 H new ATOM 0 HA ILE A 19 -0.717 -2.635 4.325 1.00 0.00 H new ATOM 0 HB ILE A 19 -2.525 -4.377 4.311 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.106 -5.276 5.943 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -1.016 -3.830 6.335 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -1.859 -6.756 4.106 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -1.514 -5.865 2.604 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -0.192 -6.258 3.729 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -1.863 -5.775 7.624 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -3.111 -5.178 6.504 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -2.186 -6.646 6.106 1.00 0.00 H new ATOM 306 N GLY A 20 1.658 -3.419 4.606 1.00 0.00 N ATOM 307 CA GLY A 20 3.085 -3.836 4.635 1.00 0.00 C ATOM 308 C GLY A 20 3.883 -2.931 5.565 1.00 0.00 C ATOM 309 O GLY A 20 3.333 -2.260 6.422 1.00 0.00 O ATOM 0 H GLY A 20 1.398 -2.684 5.264 1.00 0.00 H new ATOM 0 HA2 GLY A 20 3.162 -4.871 4.970 1.00 0.00 H new ATOM 0 HA3 GLY A 20 3.503 -3.795 3.629 1.00 0.00 H new ATOM 313 N LYS A 21 5.183 -2.912 5.402 1.00 0.00 N ATOM 314 CA LYS A 21 6.050 -2.056 6.274 1.00 0.00 C ATOM 315 C LYS A 21 6.657 -0.927 5.444 1.00 0.00 C ATOM 316 O LYS A 21 7.108 -1.130 4.335 1.00 0.00 O ATOM 317 CB LYS A 21 7.168 -2.917 6.870 1.00 0.00 C ATOM 318 CG LYS A 21 8.085 -3.423 5.752 1.00 0.00 C ATOM 319 CD LYS A 21 9.058 -4.466 6.312 1.00 0.00 C ATOM 320 CE LYS A 21 10.049 -3.801 7.274 1.00 0.00 C ATOM 321 NZ LYS A 21 11.190 -4.726 7.526 1.00 0.00 N ATOM 0 H LYS A 21 5.684 -3.455 4.699 1.00 0.00 H new ATOM 0 HA LYS A 21 5.452 -1.626 7.077 1.00 0.00 H new ATOM 0 HB2 LYS A 21 7.744 -2.335 7.589 1.00 0.00 H new ATOM 0 HB3 LYS A 21 6.740 -3.761 7.412 1.00 0.00 H new ATOM 0 HG2 LYS A 21 7.490 -3.861 4.951 1.00 0.00 H new ATOM 0 HG3 LYS A 21 8.639 -2.590 5.319 1.00 0.00 H new ATOM 0 HD2 LYS A 21 8.505 -5.248 6.831 1.00 0.00 H new ATOM 0 HD3 LYS A 21 9.598 -4.946 5.496 1.00 0.00 H new ATOM 0 HE2 LYS A 21 10.412 -2.865 6.850 1.00 0.00 H new ATOM 0 HE3 LYS A 21 9.552 -3.554 8.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 11.864 -4.277 8.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 10.835 -5.608 7.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 11.668 -4.940 6.628 1.00 0.00 H new ATOM 335 N ILE A 22 6.669 0.269 5.979 1.00 0.00 N ATOM 336 CA ILE A 22 7.239 1.436 5.237 1.00 0.00 C ATOM 337 C ILE A 22 8.619 1.776 5.797 1.00 0.00 C ATOM 338 O ILE A 22 8.800 1.892 6.991 1.00 0.00 O ATOM 339 CB ILE A 22 6.313 2.640 5.397 1.00 0.00 C ATOM 340 CG1 ILE A 22 4.945 2.302 4.803 1.00 0.00 C ATOM 341 CG2 ILE A 22 6.908 3.842 4.664 1.00 0.00 C ATOM 342 CD1 ILE A 22 3.951 3.412 5.143 1.00 0.00 C ATOM 0 H ILE A 22 6.305 0.488 6.906 1.00 0.00 H new ATOM 0 HA ILE A 22 7.331 1.184 4.180 1.00 0.00 H new ATOM 0 HB ILE A 22 6.203 2.882 6.454 1.00 0.00 H new ATOM 0 HG12 ILE A 22 5.024 2.190 3.722 1.00 0.00 H new ATOM 0 HG13 ILE A 22 4.591 1.349 5.197 1.00 0.00 H new ATOM 0 HG21 ILE A 22 6.247 4.701 4.778 1.00 0.00 H new ATOM 0 HG22 ILE A 22 7.885 4.077 5.085 1.00 0.00 H new ATOM 0 HG23 ILE A 22 7.016 3.606 3.605 1.00 0.00 H new ATOM 0 HD11 ILE A 22 2.976 3.170 4.719 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.863 3.503 6.226 1.00 0.00 H new ATOM 0 HD13 ILE A 22 4.303 4.356 4.727 1.00 0.00 H new ATOM 354 N THR A 23 9.598 1.929 4.937 1.00 0.00 N ATOM 355 CA THR A 23 10.981 2.257 5.410 1.00 0.00 C ATOM 356 C THR A 23 11.573 3.373 4.546 1.00 0.00 C ATOM 357 O THR A 23 11.139 3.616 3.437 1.00 0.00 O ATOM 358 CB THR A 23 11.865 1.014 5.295 1.00 0.00 C ATOM 359 OG1 THR A 23 11.956 0.622 3.932 1.00 0.00 O ATOM 360 CG2 THR A 23 11.262 -0.125 6.119 1.00 0.00 C ATOM 0 H THR A 23 9.499 1.841 3.926 1.00 0.00 H new ATOM 0 HA THR A 23 10.936 2.586 6.448 1.00 0.00 H new ATOM 0 HB THR A 23 12.861 1.242 5.674 1.00 0.00 H new ATOM 0 HG1 THR A 23 12.524 -0.173 3.858 1.00 0.00 H new ATOM 0 HG21 THR A 23 11.894 -1.009 6.035 1.00 0.00 H new ATOM 0 HG22 THR A 23 11.197 0.177 7.164 1.00 0.00 H new ATOM 0 HG23 THR A 23 10.264 -0.356 5.746 1.00 0.00 H new ATOM 368 N GLY A 24 12.568 4.052 5.053 1.00 0.00 N ATOM 369 CA GLY A 24 13.199 5.150 4.270 1.00 0.00 C ATOM 370 C GLY A 24 12.234 6.327 4.156 1.00 0.00 C ATOM 371 O GLY A 24 11.603 6.522 3.136 1.00 0.00 O ATOM 0 H GLY A 24 12.970 3.892 5.977 1.00 0.00 H new ATOM 0 HA2 GLY A 24 14.121 5.470 4.754 1.00 0.00 H new ATOM 0 HA3 GLY A 24 13.468 4.792 3.276 1.00 0.00 H new ATOM 375 N ILE A 25 12.108 7.117 5.193 1.00 0.00 N ATOM 376 CA ILE A 25 11.177 8.284 5.137 1.00 0.00 C ATOM 377 C ILE A 25 11.956 9.534 4.739 1.00 0.00 C ATOM 378 O ILE A 25 12.919 9.908 5.378 1.00 0.00 O ATOM 379 CB ILE A 25 10.546 8.500 6.515 1.00 0.00 C ATOM 380 CG1 ILE A 25 9.852 7.209 6.976 1.00 0.00 C ATOM 381 CG2 ILE A 25 9.531 9.643 6.447 1.00 0.00 C ATOM 382 CD1 ILE A 25 8.851 6.721 5.921 1.00 0.00 C ATOM 0 H ILE A 25 12.609 7.004 6.074 1.00 0.00 H new ATOM 0 HA ILE A 25 10.395 8.090 4.403 1.00 0.00 H new ATOM 0 HB ILE A 25 11.326 8.760 7.230 1.00 0.00 H new ATOM 0 HG12 ILE A 25 10.598 6.436 7.161 1.00 0.00 H new ATOM 0 HG13 ILE A 25 9.335 7.386 7.919 1.00 0.00 H new ATOM 0 HG21 ILE A 25 9.085 9.792 7.430 1.00 0.00 H new ATOM 0 HG22 ILE A 25 10.034 10.558 6.134 1.00 0.00 H new ATOM 0 HG23 ILE A 25 8.750 9.394 5.728 1.00 0.00 H new ATOM 0 HD11 ILE A 25 8.372 5.806 6.270 1.00 0.00 H new ATOM 0 HD12 ILE A 25 8.093 7.487 5.757 1.00 0.00 H new ATOM 0 HD13 ILE A 25 9.375 6.523 4.986 1.00 0.00 H new ATOM 394 N HIS A 26 11.541 10.178 3.679 1.00 0.00 N ATOM 395 CA HIS A 26 12.238 11.414 3.206 1.00 0.00 C ATOM 396 C HIS A 26 11.281 12.597 3.320 1.00 0.00 C ATOM 397 O HIS A 26 10.114 12.493 3.001 1.00 0.00 O ATOM 398 CB HIS A 26 12.645 11.222 1.747 1.00 0.00 C ATOM 399 CG HIS A 26 13.620 10.083 1.661 1.00 0.00 C ATOM 400 ND1 HIS A 26 14.914 10.181 2.146 1.00 0.00 N ATOM 401 CD2 HIS A 26 13.501 8.810 1.164 1.00 0.00 C ATOM 402 CE1 HIS A 26 15.518 8.999 1.931 1.00 0.00 C ATOM 403 NE2 HIS A 26 14.701 8.126 1.335 1.00 0.00 N ATOM 0 H HIS A 26 10.740 9.898 3.114 1.00 0.00 H new ATOM 0 HA HIS A 26 13.124 11.604 3.811 1.00 0.00 H new ATOM 0 HB2 HIS A 26 11.767 11.014 1.135 1.00 0.00 H new ATOM 0 HB3 HIS A 26 13.096 12.135 1.358 1.00 0.00 H new ATOM 0 HD2 HIS A 26 12.611 8.401 0.709 1.00 0.00 H new ATOM 0 HE1 HIS A 26 16.539 8.782 2.207 1.00 0.00 H new ATOM 0 HE2 HIS A 26 14.911 7.165 1.064 1.00 0.00 H new ATOM 411 N LYS A 27 11.767 13.721 3.777 1.00 0.00 N ATOM 412 CA LYS A 27 10.890 14.922 3.926 1.00 0.00 C ATOM 413 C LYS A 27 11.134 15.882 2.763 1.00 0.00 C ATOM 414 O LYS A 27 12.255 16.229 2.454 1.00 0.00 O ATOM 415 CB LYS A 27 11.225 15.621 5.243 1.00 0.00 C ATOM 416 CG LYS A 27 10.296 16.818 5.439 1.00 0.00 C ATOM 417 CD LYS A 27 10.578 17.463 6.796 1.00 0.00 C ATOM 418 CE LYS A 27 9.638 18.650 6.998 1.00 0.00 C ATOM 419 NZ LYS A 27 9.899 19.269 8.328 1.00 0.00 N ATOM 0 H LYS A 27 12.738 13.860 4.055 1.00 0.00 H new ATOM 0 HA LYS A 27 9.844 14.616 3.925 1.00 0.00 H new ATOM 0 HB2 LYS A 27 11.117 14.924 6.074 1.00 0.00 H new ATOM 0 HB3 LYS A 27 12.264 15.951 5.237 1.00 0.00 H new ATOM 0 HG2 LYS A 27 10.447 17.544 4.640 1.00 0.00 H new ATOM 0 HG3 LYS A 27 9.256 16.497 5.386 1.00 0.00 H new ATOM 0 HD2 LYS A 27 10.438 16.734 7.594 1.00 0.00 H new ATOM 0 HD3 LYS A 27 11.615 17.794 6.845 1.00 0.00 H new ATOM 0 HE2 LYS A 27 9.788 19.385 6.207 1.00 0.00 H new ATOM 0 HE3 LYS A 27 8.601 18.321 6.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 9.259 20.077 8.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 9.735 18.566 9.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 10.885 19.597 8.371 1.00 0.00 H new ATOM 433 N LYS A 28 10.084 16.317 2.117 1.00 0.00 N ATOM 434 CA LYS A 28 10.231 17.264 0.972 1.00 0.00 C ATOM 435 C LYS A 28 9.056 18.239 0.991 1.00 0.00 C ATOM 436 O LYS A 28 8.045 17.984 1.612 1.00 0.00 O ATOM 437 CB LYS A 28 10.234 16.489 -0.347 1.00 0.00 C ATOM 438 CG LYS A 28 11.516 15.663 -0.452 1.00 0.00 C ATOM 439 CD LYS A 28 11.534 14.916 -1.785 1.00 0.00 C ATOM 440 CE LYS A 28 12.821 14.101 -1.892 1.00 0.00 C ATOM 441 NZ LYS A 28 12.836 13.361 -3.183 1.00 0.00 N ATOM 0 H LYS A 28 9.123 16.055 2.335 1.00 0.00 H new ATOM 0 HA LYS A 28 11.171 17.809 1.062 1.00 0.00 H new ATOM 0 HB2 LYS A 28 9.363 15.836 -0.399 1.00 0.00 H new ATOM 0 HB3 LYS A 28 10.165 17.180 -1.187 1.00 0.00 H new ATOM 0 HG2 LYS A 28 12.387 16.313 -0.376 1.00 0.00 H new ATOM 0 HG3 LYS A 28 11.574 14.955 0.375 1.00 0.00 H new ATOM 0 HD2 LYS A 28 10.667 14.259 -1.858 1.00 0.00 H new ATOM 0 HD3 LYS A 28 11.469 15.623 -2.612 1.00 0.00 H new ATOM 0 HE2 LYS A 28 13.687 14.760 -1.829 1.00 0.00 H new ATOM 0 HE3 LYS A 28 12.891 13.401 -1.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 13.713 12.806 -3.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 12.017 12.721 -3.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 12.789 14.038 -3.971 1.00 0.00 H new ATOM 455 N GLU A 29 9.182 19.361 0.325 1.00 0.00 N ATOM 456 CA GLU A 29 8.072 20.367 0.303 1.00 0.00 C ATOM 457 C GLU A 29 7.652 20.642 -1.140 1.00 0.00 C ATOM 458 O GLU A 29 8.477 20.783 -2.020 1.00 0.00 O ATOM 459 CB GLU A 29 8.554 21.664 0.951 1.00 0.00 C ATOM 460 CG GLU A 29 8.722 21.437 2.454 1.00 0.00 C ATOM 461 CD GLU A 29 9.265 22.709 3.104 1.00 0.00 C ATOM 462 OE1 GLU A 29 9.459 23.679 2.391 1.00 0.00 O ATOM 463 OE2 GLU A 29 9.476 22.691 4.305 1.00 0.00 O ATOM 0 H GLU A 29 10.011 19.625 -0.208 1.00 0.00 H new ATOM 0 HA GLU A 29 7.218 19.976 0.856 1.00 0.00 H new ATOM 0 HB2 GLU A 29 9.500 21.977 0.509 1.00 0.00 H new ATOM 0 HB3 GLU A 29 7.837 22.465 0.769 1.00 0.00 H new ATOM 0 HG2 GLU A 29 7.765 21.167 2.901 1.00 0.00 H new ATOM 0 HG3 GLU A 29 9.403 20.605 2.633 1.00 0.00 H new ATOM 470 N TYR A 30 6.366 20.716 -1.385 1.00 0.00 N ATOM 471 CA TYR A 30 5.860 20.982 -2.769 1.00 0.00 C ATOM 472 C TYR A 30 4.842 22.118 -2.705 1.00 0.00 C ATOM 473 O TYR A 30 4.216 22.350 -1.690 1.00 0.00 O ATOM 474 CB TYR A 30 5.194 19.719 -3.326 1.00 0.00 C ATOM 475 CG TYR A 30 3.941 19.396 -2.537 1.00 0.00 C ATOM 476 CD1 TYR A 30 4.040 18.961 -1.210 1.00 0.00 C ATOM 477 CD2 TYR A 30 2.681 19.530 -3.136 1.00 0.00 C ATOM 478 CE1 TYR A 30 2.882 18.661 -0.483 1.00 0.00 C ATOM 479 CE2 TYR A 30 1.523 19.229 -2.408 1.00 0.00 C ATOM 480 CZ TYR A 30 1.624 18.795 -1.081 1.00 0.00 C ATOM 481 OH TYR A 30 0.483 18.497 -0.364 1.00 0.00 O ATOM 0 H TYR A 30 5.639 20.602 -0.679 1.00 0.00 H new ATOM 0 HA TYR A 30 6.687 21.261 -3.422 1.00 0.00 H new ATOM 0 HB2 TYR A 30 4.943 19.865 -4.377 1.00 0.00 H new ATOM 0 HB3 TYR A 30 5.889 18.881 -3.277 1.00 0.00 H new ATOM 0 HD1 TYR A 30 5.010 18.857 -0.747 1.00 0.00 H new ATOM 0 HD2 TYR A 30 2.603 19.866 -4.160 1.00 0.00 H new ATOM 0 HE1 TYR A 30 2.960 18.326 0.541 1.00 0.00 H new ATOM 0 HE2 TYR A 30 0.552 19.332 -2.870 1.00 0.00 H new ATOM 0 HH TYR A 30 0.272 17.546 -0.466 1.00 0.00 H new ATOM 491 N GLU A 31 4.680 22.838 -3.778 1.00 0.00 N ATOM 492 CA GLU A 31 3.715 23.973 -3.777 1.00 0.00 C ATOM 493 C GLU A 31 2.328 23.471 -4.174 1.00 0.00 C ATOM 494 O GLU A 31 2.178 22.696 -5.095 1.00 0.00 O ATOM 495 CB GLU A 31 4.181 25.027 -4.785 1.00 0.00 C ATOM 496 CG GLU A 31 5.483 25.684 -4.301 1.00 0.00 C ATOM 497 CD GLU A 31 6.682 24.791 -4.640 1.00 0.00 C ATOM 498 OE1 GLU A 31 6.464 23.696 -5.130 1.00 0.00 O ATOM 499 OE2 GLU A 31 7.800 25.221 -4.403 1.00 0.00 O ATOM 0 H GLU A 31 5.175 22.690 -4.658 1.00 0.00 H new ATOM 0 HA GLU A 31 3.667 24.410 -2.779 1.00 0.00 H new ATOM 0 HB2 GLU A 31 4.339 24.564 -5.759 1.00 0.00 H new ATOM 0 HB3 GLU A 31 3.408 25.785 -4.913 1.00 0.00 H new ATOM 0 HG2 GLU A 31 5.603 26.660 -4.770 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.437 25.851 -3.225 1.00 0.00 H new ATOM 506 N SER A 32 1.309 23.913 -3.478 1.00 0.00 N ATOM 507 CA SER A 32 -0.082 23.473 -3.800 1.00 0.00 C ATOM 508 C SER A 32 -1.018 24.683 -3.742 1.00 0.00 C ATOM 509 O SER A 32 -1.292 25.216 -2.686 1.00 0.00 O ATOM 510 CB SER A 32 -0.532 22.432 -2.776 1.00 0.00 C ATOM 511 OG SER A 32 -1.793 21.902 -3.164 1.00 0.00 O ATOM 0 H SER A 32 1.383 24.564 -2.696 1.00 0.00 H new ATOM 0 HA SER A 32 -0.109 23.037 -4.798 1.00 0.00 H new ATOM 0 HB2 SER A 32 0.205 21.632 -2.706 1.00 0.00 H new ATOM 0 HB3 SER A 32 -0.604 22.886 -1.788 1.00 0.00 H new ATOM 0 HG SER A 32 -2.082 21.233 -2.509 1.00 0.00 H new ATOM 517 N ASP A 33 -1.503 25.120 -4.874 1.00 0.00 N ATOM 518 CA ASP A 33 -2.421 26.296 -4.904 1.00 0.00 C ATOM 519 C ASP A 33 -1.730 27.520 -4.295 1.00 0.00 C ATOM 520 O ASP A 33 -2.366 28.369 -3.705 1.00 0.00 O ATOM 521 CB ASP A 33 -3.695 25.970 -4.116 1.00 0.00 C ATOM 522 CG ASP A 33 -4.747 27.048 -4.377 1.00 0.00 C ATOM 523 OD1 ASP A 33 -4.412 28.036 -5.009 1.00 0.00 O ATOM 524 OD2 ASP A 33 -5.873 26.867 -3.941 1.00 0.00 O ATOM 0 H ASP A 33 -1.301 24.710 -5.786 1.00 0.00 H new ATOM 0 HA ASP A 33 -2.682 26.520 -5.938 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -4.078 24.994 -4.412 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -3.472 25.915 -3.050 1.00 0.00 H new ATOM 529 N GLY A 34 -0.433 27.623 -4.444 1.00 0.00 N ATOM 530 CA GLY A 34 0.291 28.802 -3.885 1.00 0.00 C ATOM 531 C GLY A 34 0.562 28.595 -2.396 1.00 0.00 C ATOM 532 O GLY A 34 0.956 29.510 -1.700 1.00 0.00 O ATOM 0 H GLY A 34 0.153 26.943 -4.928 1.00 0.00 H new ATOM 0 HA2 GLY A 34 1.231 28.947 -4.417 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -0.301 29.705 -4.033 1.00 0.00 H new ATOM 536 N THR A 35 0.353 27.399 -1.904 1.00 0.00 N ATOM 537 CA THR A 35 0.590 27.111 -0.454 1.00 0.00 C ATOM 538 C THR A 35 1.633 25.999 -0.323 1.00 0.00 C ATOM 539 O THR A 35 1.538 24.966 -0.952 1.00 0.00 O ATOM 540 CB THR A 35 -0.724 26.661 0.187 1.00 0.00 C ATOM 541 OG1 THR A 35 -1.674 27.711 0.087 1.00 0.00 O ATOM 542 CG2 THR A 35 -0.490 26.320 1.658 1.00 0.00 C ATOM 0 H THR A 35 0.025 26.602 -2.450 1.00 0.00 H new ATOM 0 HA THR A 35 0.953 28.008 0.048 1.00 0.00 H new ATOM 0 HB THR A 35 -1.098 25.777 -0.329 1.00 0.00 H new ATOM 0 HG1 THR A 35 -2.519 27.428 0.495 1.00 0.00 H new ATOM 0 HG21 THR A 35 -1.428 26.000 2.111 1.00 0.00 H new ATOM 0 HG22 THR A 35 0.242 25.516 1.733 1.00 0.00 H new ATOM 0 HG23 THR A 35 -0.117 27.201 2.181 1.00 0.00 H new ATOM 550 N THR A 36 2.631 26.211 0.488 1.00 0.00 N ATOM 551 CA THR A 36 3.692 25.179 0.664 1.00 0.00 C ATOM 552 C THR A 36 3.207 24.103 1.637 1.00 0.00 C ATOM 553 O THR A 36 2.722 24.404 2.709 1.00 0.00 O ATOM 554 CB THR A 36 4.950 25.846 1.225 1.00 0.00 C ATOM 555 OG1 THR A 36 5.361 26.886 0.349 1.00 0.00 O ATOM 556 CG2 THR A 36 6.069 24.814 1.356 1.00 0.00 C ATOM 0 H THR A 36 2.759 27.059 1.040 1.00 0.00 H new ATOM 0 HA THR A 36 3.917 24.717 -0.297 1.00 0.00 H new ATOM 0 HB THR A 36 4.731 26.262 2.209 1.00 0.00 H new ATOM 0 HG1 THR A 36 6.166 27.316 0.707 1.00 0.00 H new ATOM 0 HG21 THR A 36 6.962 25.294 1.756 1.00 0.00 H new ATOM 0 HG22 THR A 36 5.753 24.018 2.030 1.00 0.00 H new ATOM 0 HG23 THR A 36 6.292 24.392 0.376 1.00 0.00 H new ATOM 564 N LYS A 37 3.333 22.849 1.272 1.00 0.00 N ATOM 565 CA LYS A 37 2.878 21.743 2.174 1.00 0.00 C ATOM 566 C LYS A 37 3.966 20.670 2.263 1.00 0.00 C ATOM 567 O LYS A 37 4.614 20.341 1.289 1.00 0.00 O ATOM 568 CB LYS A 37 1.598 21.128 1.610 1.00 0.00 C ATOM 569 CG LYS A 37 0.469 22.155 1.699 1.00 0.00 C ATOM 570 CD LYS A 37 -0.814 21.550 1.134 1.00 0.00 C ATOM 571 CE LYS A 37 -1.946 22.573 1.230 1.00 0.00 C ATOM 572 NZ LYS A 37 -3.191 21.986 0.660 1.00 0.00 N ATOM 0 H LYS A 37 3.733 22.543 0.385 1.00 0.00 H new ATOM 0 HA LYS A 37 2.685 22.141 3.170 1.00 0.00 H new ATOM 0 HB2 LYS A 37 1.751 20.826 0.574 1.00 0.00 H new ATOM 0 HB3 LYS A 37 1.334 20.230 2.169 1.00 0.00 H new ATOM 0 HG2 LYS A 37 0.317 22.455 2.736 1.00 0.00 H new ATOM 0 HG3 LYS A 37 0.736 23.054 1.143 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -0.663 21.255 0.095 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -1.077 20.648 1.686 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -2.107 22.857 2.270 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -1.678 23.481 0.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -3.963 22.680 0.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -3.032 21.736 -0.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -3.448 21.132 1.194 1.00 0.00 H new ATOM 586 N SER A 38 4.169 20.124 3.430 1.00 0.00 N ATOM 587 CA SER A 38 5.211 19.075 3.594 1.00 0.00 C ATOM 588 C SER A 38 4.671 17.731 3.104 1.00 0.00 C ATOM 589 O SER A 38 3.516 17.411 3.305 1.00 0.00 O ATOM 590 CB SER A 38 5.578 18.965 5.074 1.00 0.00 C ATOM 591 OG SER A 38 6.567 17.959 5.241 1.00 0.00 O ATOM 0 H SER A 38 3.656 20.361 4.279 1.00 0.00 H new ATOM 0 HA SER A 38 6.093 19.341 3.011 1.00 0.00 H new ATOM 0 HB2 SER A 38 5.951 19.922 5.440 1.00 0.00 H new ATOM 0 HB3 SER A 38 4.693 18.722 5.662 1.00 0.00 H new ATOM 0 HG SER A 38 6.577 17.662 6.175 1.00 0.00 H new ATOM 597 N VAL A 39 5.501 16.940 2.470 1.00 0.00 N ATOM 598 CA VAL A 39 5.051 15.602 1.970 1.00 0.00 C ATOM 599 C VAL A 39 6.097 14.554 2.357 1.00 0.00 C ATOM 600 O VAL A 39 7.286 14.772 2.233 1.00 0.00 O ATOM 601 CB VAL A 39 4.898 15.646 0.444 1.00 0.00 C ATOM 602 CG1 VAL A 39 6.167 16.220 -0.184 1.00 0.00 C ATOM 603 CG2 VAL A 39 4.658 14.231 -0.090 1.00 0.00 C ATOM 0 H VAL A 39 6.477 17.164 2.276 1.00 0.00 H new ATOM 0 HA VAL A 39 4.089 15.344 2.414 1.00 0.00 H new ATOM 0 HB VAL A 39 4.049 16.279 0.186 1.00 0.00 H new ATOM 0 HG11 VAL A 39 6.055 16.250 -1.268 1.00 0.00 H new ATOM 0 HG12 VAL A 39 6.334 17.230 0.192 1.00 0.00 H new ATOM 0 HG13 VAL A 39 7.018 15.591 0.076 1.00 0.00 H new ATOM 0 HG21 VAL A 39 4.550 14.265 -1.174 1.00 0.00 H new ATOM 0 HG22 VAL A 39 5.504 13.595 0.170 1.00 0.00 H new ATOM 0 HG23 VAL A 39 3.749 13.824 0.353 1.00 0.00 H new ATOM 613 N TYR A 40 5.657 13.416 2.828 1.00 0.00 N ATOM 614 CA TYR A 40 6.608 12.337 3.233 1.00 0.00 C ATOM 615 C TYR A 40 6.658 11.271 2.142 1.00 0.00 C ATOM 616 O TYR A 40 5.647 10.917 1.569 1.00 0.00 O ATOM 617 CB TYR A 40 6.123 11.709 4.540 1.00 0.00 C ATOM 618 CG TYR A 40 6.249 12.724 5.649 1.00 0.00 C ATOM 619 CD1 TYR A 40 5.195 13.605 5.918 1.00 0.00 C ATOM 620 CD2 TYR A 40 7.424 12.785 6.405 1.00 0.00 C ATOM 621 CE1 TYR A 40 5.318 14.550 6.944 1.00 0.00 C ATOM 622 CE2 TYR A 40 7.548 13.729 7.431 1.00 0.00 C ATOM 623 CZ TYR A 40 6.496 14.612 7.700 1.00 0.00 C ATOM 624 OH TYR A 40 6.618 15.542 8.713 1.00 0.00 O ATOM 0 H TYR A 40 4.671 13.186 2.951 1.00 0.00 H new ATOM 0 HA TYR A 40 7.604 12.756 3.375 1.00 0.00 H new ATOM 0 HB2 TYR A 40 5.087 11.386 4.441 1.00 0.00 H new ATOM 0 HB3 TYR A 40 6.712 10.822 4.773 1.00 0.00 H new ATOM 0 HD1 TYR A 40 4.287 13.556 5.335 1.00 0.00 H new ATOM 0 HD2 TYR A 40 8.236 12.104 6.197 1.00 0.00 H new ATOM 0 HE1 TYR A 40 4.506 15.230 7.152 1.00 0.00 H new ATOM 0 HE2 TYR A 40 8.455 13.776 8.015 1.00 0.00 H new ATOM 0 HH TYR A 40 7.496 15.449 9.138 1.00 0.00 H new ATOM 634 N GLN A 41 7.827 10.764 1.839 1.00 0.00 N ATOM 635 CA GLN A 41 7.950 9.723 0.772 1.00 0.00 C ATOM 636 C GLN A 41 8.873 8.608 1.244 1.00 0.00 C ATOM 637 O GLN A 41 9.733 8.809 2.077 1.00 0.00 O ATOM 638 CB GLN A 41 8.529 10.358 -0.492 1.00 0.00 C ATOM 639 CG GLN A 41 7.490 11.296 -1.102 1.00 0.00 C ATOM 640 CD GLN A 41 8.063 11.940 -2.364 1.00 0.00 C ATOM 641 OE1 GLN A 41 8.639 11.265 -3.196 1.00 0.00 O ATOM 642 NE2 GLN A 41 7.928 13.224 -2.543 1.00 0.00 N ATOM 0 H GLN A 41 8.705 11.027 2.286 1.00 0.00 H new ATOM 0 HA GLN A 41 6.965 9.309 0.558 1.00 0.00 H new ATOM 0 HB2 GLN A 41 9.439 10.909 -0.253 1.00 0.00 H new ATOM 0 HB3 GLN A 41 8.804 9.585 -1.209 1.00 0.00 H new ATOM 0 HG2 GLN A 41 6.582 10.743 -1.343 1.00 0.00 H new ATOM 0 HG3 GLN A 41 7.212 12.066 -0.382 1.00 0.00 H new ATOM 0 HE21 GLN A 41 7.445 13.788 -1.844 1.00 0.00 H new ATOM 0 HE22 GLN A 41 8.306 13.664 -3.382 1.00 0.00 H new ATOM 651 N GLY A 42 8.697 7.430 0.719 1.00 0.00 N ATOM 652 CA GLY A 42 9.568 6.302 1.143 1.00 0.00 C ATOM 653 C GLY A 42 9.239 5.067 0.310 1.00 0.00 C ATOM 654 O GLY A 42 8.832 5.168 -0.830 1.00 0.00 O ATOM 0 H GLY A 42 7.992 7.200 0.019 1.00 0.00 H new ATOM 0 HA2 GLY A 42 10.617 6.571 1.017 1.00 0.00 H new ATOM 0 HA3 GLY A 42 9.418 6.091 2.202 1.00 0.00 H new ATOM 658 N TYR A 43 9.421 3.901 0.871 1.00 0.00 N ATOM 659 CA TYR A 43 9.125 2.641 0.125 1.00 0.00 C ATOM 660 C TYR A 43 8.349 1.687 1.025 1.00 0.00 C ATOM 661 O TYR A 43 8.591 1.608 2.213 1.00 0.00 O ATOM 662 CB TYR A 43 10.439 1.989 -0.303 1.00 0.00 C ATOM 663 CG TYR A 43 11.086 2.839 -1.365 1.00 0.00 C ATOM 664 CD1 TYR A 43 11.944 3.885 -1.004 1.00 0.00 C ATOM 665 CD2 TYR A 43 10.820 2.584 -2.713 1.00 0.00 C ATOM 666 CE1 TYR A 43 12.536 4.676 -1.996 1.00 0.00 C ATOM 667 CE2 TYR A 43 11.412 3.373 -3.704 1.00 0.00 C ATOM 668 CZ TYR A 43 12.271 4.419 -3.347 1.00 0.00 C ATOM 669 OH TYR A 43 12.854 5.199 -4.325 1.00 0.00 O ATOM 0 H TYR A 43 9.765 3.766 1.822 1.00 0.00 H new ATOM 0 HA TYR A 43 8.527 2.869 -0.757 1.00 0.00 H new ATOM 0 HB2 TYR A 43 11.105 1.886 0.554 1.00 0.00 H new ATOM 0 HB3 TYR A 43 10.254 0.985 -0.685 1.00 0.00 H new ATOM 0 HD1 TYR A 43 12.149 4.081 0.038 1.00 0.00 H new ATOM 0 HD2 TYR A 43 10.157 1.777 -2.989 1.00 0.00 H new ATOM 0 HE1 TYR A 43 13.197 5.484 -1.719 1.00 0.00 H new ATOM 0 HE2 TYR A 43 11.206 3.175 -4.746 1.00 0.00 H new ATOM 0 HH TYR A 43 12.566 4.886 -5.208 1.00 0.00 H new ATOM 679 N ILE A 44 7.420 0.954 0.464 1.00 0.00 N ATOM 680 CA ILE A 44 6.617 -0.015 1.272 1.00 0.00 C ATOM 681 C ILE A 44 6.821 -1.408 0.691 1.00 0.00 C ATOM 682 O ILE A 44 6.801 -1.594 -0.508 1.00 0.00 O ATOM 683 CB ILE A 44 5.135 0.368 1.220 1.00 0.00 C ATOM 684 CG1 ILE A 44 4.343 -0.535 2.171 1.00 0.00 C ATOM 685 CG2 ILE A 44 4.605 0.200 -0.205 1.00 0.00 C ATOM 686 CD1 ILE A 44 2.940 0.040 2.378 1.00 0.00 C ATOM 0 H ILE A 44 7.182 0.986 -0.527 1.00 0.00 H new ATOM 0 HA ILE A 44 6.940 0.003 2.313 1.00 0.00 H new ATOM 0 HB ILE A 44 5.021 1.409 1.524 1.00 0.00 H new ATOM 0 HG12 ILE A 44 4.277 -1.543 1.761 1.00 0.00 H new ATOM 0 HG13 ILE A 44 4.859 -0.614 3.128 1.00 0.00 H new ATOM 0 HG21 ILE A 44 3.550 0.474 -0.236 1.00 0.00 H new ATOM 0 HG22 ILE A 44 5.167 0.845 -0.881 1.00 0.00 H new ATOM 0 HG23 ILE A 44 4.719 -0.839 -0.516 1.00 0.00 H new ATOM 0 HD11 ILE A 44 2.379 -0.604 3.055 1.00 0.00 H new ATOM 0 HD12 ILE A 44 3.016 1.039 2.808 1.00 0.00 H new ATOM 0 HD13 ILE A 44 2.424 0.096 1.419 1.00 0.00 H new ATOM 698 N GLU A 45 7.046 -2.386 1.536 1.00 0.00 N ATOM 699 CA GLU A 45 7.292 -3.778 1.048 1.00 0.00 C ATOM 700 C GLU A 45 6.191 -4.710 1.565 1.00 0.00 C ATOM 701 O GLU A 45 5.643 -4.513 2.637 1.00 0.00 O ATOM 702 CB GLU A 45 8.649 -4.254 1.576 1.00 0.00 C ATOM 703 CG GLU A 45 9.676 -3.123 1.449 1.00 0.00 C ATOM 704 CD GLU A 45 11.047 -3.630 1.897 1.00 0.00 C ATOM 705 OE1 GLU A 45 11.105 -4.303 2.913 1.00 0.00 O ATOM 706 OE2 GLU A 45 12.017 -3.334 1.218 1.00 0.00 O ATOM 0 H GLU A 45 7.070 -2.277 2.550 1.00 0.00 H new ATOM 0 HA GLU A 45 7.289 -3.791 -0.042 1.00 0.00 H new ATOM 0 HB2 GLU A 45 8.558 -4.561 2.618 1.00 0.00 H new ATOM 0 HB3 GLU A 45 8.983 -5.127 1.015 1.00 0.00 H new ATOM 0 HG2 GLU A 45 9.724 -2.775 0.417 1.00 0.00 H new ATOM 0 HG3 GLU A 45 9.374 -2.272 2.059 1.00 0.00 H new ATOM 713 N ASP A 46 5.861 -5.723 0.796 1.00 0.00 N ATOM 714 CA ASP A 46 4.793 -6.687 1.207 1.00 0.00 C ATOM 715 C ASP A 46 5.256 -8.113 0.903 1.00 0.00 C ATOM 716 O ASP A 46 6.418 -8.362 0.653 1.00 0.00 O ATOM 717 CB ASP A 46 3.519 -6.410 0.406 1.00 0.00 C ATOM 718 CG ASP A 46 2.896 -5.089 0.856 1.00 0.00 C ATOM 719 OD1 ASP A 46 3.618 -4.271 1.394 1.00 0.00 O ATOM 720 OD2 ASP A 46 1.709 -4.913 0.637 1.00 0.00 O ATOM 0 H ASP A 46 6.291 -5.923 -0.107 1.00 0.00 H new ATOM 0 HA ASP A 46 4.596 -6.573 2.273 1.00 0.00 H new ATOM 0 HB2 ASP A 46 3.750 -6.369 -0.658 1.00 0.00 H new ATOM 0 HB3 ASP A 46 2.807 -7.224 0.546 1.00 0.00 H new ATOM 725 N ASP A 47 4.344 -9.048 0.912 1.00 0.00 N ATOM 726 CA ASP A 47 4.707 -10.459 0.615 1.00 0.00 C ATOM 727 C ASP A 47 5.015 -10.603 -0.877 1.00 0.00 C ATOM 728 O ASP A 47 5.649 -11.551 -1.301 1.00 0.00 O ATOM 729 CB ASP A 47 3.522 -11.360 0.973 1.00 0.00 C ATOM 730 CG ASP A 47 3.346 -11.391 2.491 1.00 0.00 C ATOM 731 OD1 ASP A 47 4.278 -11.014 3.183 1.00 0.00 O ATOM 732 OD2 ASP A 47 2.282 -11.786 2.936 1.00 0.00 O ATOM 0 H ASP A 47 3.357 -8.891 1.114 1.00 0.00 H new ATOM 0 HA ASP A 47 5.584 -10.745 1.196 1.00 0.00 H new ATOM 0 HB2 ASP A 47 2.613 -10.990 0.498 1.00 0.00 H new ATOM 0 HB3 ASP A 47 3.691 -12.368 0.595 1.00 0.00 H new ATOM 737 N THR A 48 4.565 -9.671 -1.681 1.00 0.00 N ATOM 738 CA THR A 48 4.820 -9.752 -3.152 1.00 0.00 C ATOM 739 C THR A 48 6.081 -8.967 -3.510 1.00 0.00 C ATOM 740 O THR A 48 7.123 -9.536 -3.766 1.00 0.00 O ATOM 741 CB THR A 48 3.636 -9.150 -3.907 1.00 0.00 C ATOM 742 OG1 THR A 48 2.448 -9.838 -3.544 1.00 0.00 O ATOM 743 CG2 THR A 48 3.877 -9.290 -5.412 1.00 0.00 C ATOM 0 H THR A 48 4.031 -8.856 -1.381 1.00 0.00 H new ATOM 0 HA THR A 48 4.951 -10.798 -3.430 1.00 0.00 H new ATOM 0 HB THR A 48 3.532 -8.095 -3.653 1.00 0.00 H new ATOM 0 HG1 THR A 48 2.039 -9.399 -2.769 1.00 0.00 H new ATOM 0 HG21 THR A 48 3.035 -8.862 -5.957 1.00 0.00 H new ATOM 0 HG22 THR A 48 4.791 -8.763 -5.685 1.00 0.00 H new ATOM 0 HG23 THR A 48 3.976 -10.345 -5.668 1.00 0.00 H new ATOM 751 N ALA A 49 5.990 -7.661 -3.547 1.00 0.00 N ATOM 752 CA ALA A 49 7.177 -6.831 -3.911 1.00 0.00 C ATOM 753 C ALA A 49 7.153 -5.518 -3.131 1.00 0.00 C ATOM 754 O ALA A 49 6.685 -5.458 -2.012 1.00 0.00 O ATOM 755 CB ALA A 49 7.138 -6.523 -5.409 1.00 0.00 C ATOM 0 H ALA A 49 5.142 -7.133 -3.340 1.00 0.00 H new ATOM 0 HA ALA A 49 8.086 -7.380 -3.667 1.00 0.00 H new ATOM 0 HB1 ALA A 49 8.003 -5.917 -5.679 1.00 0.00 H new ATOM 0 HB2 ALA A 49 7.158 -7.456 -5.973 1.00 0.00 H new ATOM 0 HB3 ALA A 49 6.225 -5.976 -5.644 1.00 0.00 H new ATOM 761 N ARG A 50 7.672 -4.464 -3.710 1.00 0.00 N ATOM 762 CA ARG A 50 7.698 -3.149 -2.999 1.00 0.00 C ATOM 763 C ARG A 50 7.487 -2.007 -3.998 1.00 0.00 C ATOM 764 O ARG A 50 7.735 -2.147 -5.179 1.00 0.00 O ATOM 765 CB ARG A 50 9.053 -2.985 -2.308 1.00 0.00 C ATOM 766 CG ARG A 50 10.180 -3.033 -3.345 1.00 0.00 C ATOM 767 CD ARG A 50 11.532 -2.901 -2.638 1.00 0.00 C ATOM 768 NE ARG A 50 12.626 -2.904 -3.650 1.00 0.00 N ATOM 769 CZ ARG A 50 13.861 -3.118 -3.281 1.00 0.00 C ATOM 770 NH1 ARG A 50 14.137 -3.360 -2.027 1.00 0.00 N ATOM 771 NH2 ARG A 50 14.821 -3.096 -4.166 1.00 0.00 N ATOM 0 H ARG A 50 8.079 -4.458 -4.645 1.00 0.00 H new ATOM 0 HA ARG A 50 6.898 -3.120 -2.259 1.00 0.00 H new ATOM 0 HB2 ARG A 50 9.083 -2.038 -1.769 1.00 0.00 H new ATOM 0 HB3 ARG A 50 9.192 -3.776 -1.571 1.00 0.00 H new ATOM 0 HG2 ARG A 50 10.138 -3.970 -3.900 1.00 0.00 H new ATOM 0 HG3 ARG A 50 10.056 -2.228 -4.069 1.00 0.00 H new ATOM 0 HD2 ARG A 50 11.562 -1.979 -2.058 1.00 0.00 H new ATOM 0 HD3 ARG A 50 11.669 -3.724 -1.936 1.00 0.00 H new ATOM 0 HE ARG A 50 12.410 -2.739 -4.633 1.00 0.00 H new ATOM 0 HH11 ARG A 50 13.388 -3.382 -1.335 1.00 0.00 H new ATOM 0 HH12 ARG A 50 15.101 -3.527 -1.740 1.00 0.00 H new ATOM 0 HH21 ARG A 50 14.607 -2.912 -5.146 1.00 0.00 H new ATOM 0 HH22 ARG A 50 15.785 -3.263 -3.877 1.00 0.00 H new ATOM 785 N ILE A 51 7.029 -0.873 -3.530 1.00 0.00 N ATOM 786 CA ILE A 51 6.804 0.283 -4.450 1.00 0.00 C ATOM 787 C ILE A 51 6.968 1.599 -3.687 1.00 0.00 C ATOM 788 O ILE A 51 6.838 1.653 -2.480 1.00 0.00 O ATOM 789 CB ILE A 51 5.398 0.210 -5.044 1.00 0.00 C ATOM 790 CG1 ILE A 51 5.182 1.406 -5.976 1.00 0.00 C ATOM 791 CG2 ILE A 51 4.357 0.239 -3.923 1.00 0.00 C ATOM 792 CD1 ILE A 51 3.912 1.195 -6.804 1.00 0.00 C ATOM 0 H ILE A 51 6.801 -0.698 -2.551 1.00 0.00 H new ATOM 0 HA ILE A 51 7.538 0.240 -5.254 1.00 0.00 H new ATOM 0 HB ILE A 51 5.290 -0.718 -5.605 1.00 0.00 H new ATOM 0 HG12 ILE A 51 5.099 2.323 -5.393 1.00 0.00 H new ATOM 0 HG13 ILE A 51 6.042 1.525 -6.636 1.00 0.00 H new ATOM 0 HG21 ILE A 51 3.357 0.187 -4.354 1.00 0.00 H new ATOM 0 HG22 ILE A 51 4.512 -0.613 -3.261 1.00 0.00 H new ATOM 0 HG23 ILE A 51 4.460 1.164 -3.355 1.00 0.00 H new ATOM 0 HD11 ILE A 51 3.763 2.049 -7.465 1.00 0.00 H new ATOM 0 HD12 ILE A 51 4.013 0.288 -7.400 1.00 0.00 H new ATOM 0 HD13 ILE A 51 3.055 1.098 -6.137 1.00 0.00 H new ATOM 804 N ARG A 52 7.255 2.660 -4.389 1.00 0.00 N ATOM 805 CA ARG A 52 7.430 3.977 -3.719 1.00 0.00 C ATOM 806 C ARG A 52 6.059 4.576 -3.403 1.00 0.00 C ATOM 807 O ARG A 52 5.128 4.461 -4.173 1.00 0.00 O ATOM 808 CB ARG A 52 8.203 4.916 -4.646 1.00 0.00 C ATOM 809 CG ARG A 52 8.460 6.245 -3.934 1.00 0.00 C ATOM 810 CD ARG A 52 9.237 7.175 -4.866 1.00 0.00 C ATOM 811 NE ARG A 52 9.583 8.430 -4.137 1.00 0.00 N ATOM 812 CZ ARG A 52 10.685 8.511 -3.440 1.00 0.00 C ATOM 813 NH1 ARG A 52 11.494 7.487 -3.362 1.00 0.00 N ATOM 814 NH2 ARG A 52 10.977 9.618 -2.814 1.00 0.00 N ATOM 0 H ARG A 52 7.376 2.671 -5.402 1.00 0.00 H new ATOM 0 HA ARG A 52 7.986 3.845 -2.791 1.00 0.00 H new ATOM 0 HB2 ARG A 52 9.149 4.459 -4.936 1.00 0.00 H new ATOM 0 HB3 ARG A 52 7.637 5.086 -5.562 1.00 0.00 H new ATOM 0 HG2 ARG A 52 7.515 6.706 -3.647 1.00 0.00 H new ATOM 0 HG3 ARG A 52 9.024 6.076 -3.017 1.00 0.00 H new ATOM 0 HD2 ARG A 52 10.144 6.682 -5.216 1.00 0.00 H new ATOM 0 HD3 ARG A 52 8.640 7.406 -5.748 1.00 0.00 H new ATOM 0 HE ARG A 52 8.954 9.231 -4.183 1.00 0.00 H new ATOM 0 HH11 ARG A 52 11.266 6.619 -3.847 1.00 0.00 H new ATOM 0 HH12 ARG A 52 12.353 7.556 -2.816 1.00 0.00 H new ATOM 0 HH21 ARG A 52 10.346 10.417 -2.870 1.00 0.00 H new ATOM 0 HH22 ARG A 52 11.837 9.684 -2.269 1.00 0.00 H new ATOM 828 N ILE A 53 5.932 5.209 -2.264 1.00 0.00 N ATOM 829 CA ILE A 53 4.625 5.821 -1.867 1.00 0.00 C ATOM 830 C ILE A 53 4.857 7.241 -1.341 1.00 0.00 C ATOM 831 O ILE A 53 5.967 7.628 -1.018 1.00 0.00 O ATOM 832 CB ILE A 53 3.963 4.972 -0.771 1.00 0.00 C ATOM 833 CG1 ILE A 53 4.713 5.107 0.572 1.00 0.00 C ATOM 834 CG2 ILE A 53 3.964 3.506 -1.202 1.00 0.00 C ATOM 835 CD1 ILE A 53 6.207 4.811 0.403 1.00 0.00 C ATOM 0 H ILE A 53 6.684 5.329 -1.586 1.00 0.00 H new ATOM 0 HA ILE A 53 3.971 5.859 -2.738 1.00 0.00 H new ATOM 0 HB ILE A 53 2.942 5.327 -0.631 1.00 0.00 H new ATOM 0 HG12 ILE A 53 4.581 6.115 0.966 1.00 0.00 H new ATOM 0 HG13 ILE A 53 4.284 4.421 1.302 1.00 0.00 H new ATOM 0 HG21 ILE A 53 3.495 2.899 -0.428 1.00 0.00 H new ATOM 0 HG22 ILE A 53 3.407 3.400 -2.133 1.00 0.00 H new ATOM 0 HG23 ILE A 53 4.990 3.172 -1.353 1.00 0.00 H new ATOM 0 HD11 ILE A 53 6.709 4.914 1.365 1.00 0.00 H new ATOM 0 HD12 ILE A 53 6.337 3.794 0.033 1.00 0.00 H new ATOM 0 HD13 ILE A 53 6.639 5.514 -0.309 1.00 0.00 H new ATOM 847 N SER A 54 3.807 8.017 -1.247 1.00 0.00 N ATOM 848 CA SER A 54 3.939 9.413 -0.733 1.00 0.00 C ATOM 849 C SER A 54 2.727 9.735 0.136 1.00 0.00 C ATOM 850 O SER A 54 1.655 9.201 -0.063 1.00 0.00 O ATOM 851 CB SER A 54 4.001 10.392 -1.904 1.00 0.00 C ATOM 852 OG SER A 54 2.725 10.458 -2.530 1.00 0.00 O ATOM 0 H SER A 54 2.860 7.742 -1.506 1.00 0.00 H new ATOM 0 HA SER A 54 4.853 9.503 -0.146 1.00 0.00 H new ATOM 0 HB2 SER A 54 4.297 11.380 -1.552 1.00 0.00 H new ATOM 0 HB3 SER A 54 4.755 10.070 -2.622 1.00 0.00 H new ATOM 0 HG SER A 54 2.761 11.087 -3.281 1.00 0.00 H new ATOM 858 N SER A 55 2.888 10.603 1.101 1.00 0.00 N ATOM 859 CA SER A 55 1.743 10.965 1.993 1.00 0.00 C ATOM 860 C SER A 55 1.730 12.478 2.201 1.00 0.00 C ATOM 861 O SER A 55 2.749 13.089 2.459 1.00 0.00 O ATOM 862 CB SER A 55 1.902 10.255 3.335 1.00 0.00 C ATOM 863 OG SER A 55 0.768 10.525 4.145 1.00 0.00 O ATOM 0 H SER A 55 3.765 11.079 1.311 1.00 0.00 H new ATOM 0 HA SER A 55 0.803 10.656 1.536 1.00 0.00 H new ATOM 0 HB2 SER A 55 2.006 9.181 3.181 1.00 0.00 H new ATOM 0 HB3 SER A 55 2.809 10.595 3.834 1.00 0.00 H new ATOM 0 HG SER A 55 0.699 9.846 4.848 1.00 0.00 H new ATOM 869 N PHE A 56 0.584 13.092 2.075 1.00 0.00 N ATOM 870 CA PHE A 56 0.506 14.576 2.243 1.00 0.00 C ATOM 871 C PHE A 56 0.124 14.945 3.682 1.00 0.00 C ATOM 872 O PHE A 56 -0.901 14.536 4.189 1.00 0.00 O ATOM 873 CB PHE A 56 -0.547 15.129 1.282 1.00 0.00 C ATOM 874 CG PHE A 56 -0.046 14.980 -0.135 1.00 0.00 C ATOM 875 CD1 PHE A 56 1.048 15.739 -0.569 1.00 0.00 C ATOM 876 CD2 PHE A 56 -0.665 14.082 -1.015 1.00 0.00 C ATOM 877 CE1 PHE A 56 1.521 15.604 -1.879 1.00 0.00 C ATOM 878 CE2 PHE A 56 -0.193 13.948 -2.326 1.00 0.00 C ATOM 879 CZ PHE A 56 0.900 14.709 -2.758 1.00 0.00 C ATOM 0 H PHE A 56 -0.302 12.632 1.863 1.00 0.00 H new ATOM 0 HA PHE A 56 1.483 15.007 2.025 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -1.488 14.594 1.407 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -0.745 16.178 1.503 1.00 0.00 H new ATOM 0 HD1 PHE A 56 1.528 16.430 0.109 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -1.507 13.493 -0.682 1.00 0.00 H new ATOM 0 HE1 PHE A 56 2.365 16.190 -2.212 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -0.672 13.258 -3.004 1.00 0.00 H new ATOM 0 HZ PHE A 56 1.264 14.605 -3.770 1.00 0.00 H new ATOM 889 N GLY A 57 0.940 15.732 4.335 1.00 0.00 N ATOM 890 CA GLY A 57 0.626 16.157 5.730 1.00 0.00 C ATOM 891 C GLY A 57 0.835 15.002 6.712 1.00 0.00 C ATOM 892 O GLY A 57 1.586 15.114 7.660 1.00 0.00 O ATOM 0 H GLY A 57 1.814 16.100 3.959 1.00 0.00 H new ATOM 0 HA2 GLY A 57 1.261 16.997 6.010 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -0.406 16.505 5.785 1.00 0.00 H new ATOM 896 N LYS A 58 0.166 13.902 6.507 1.00 0.00 N ATOM 897 CA LYS A 58 0.316 12.757 7.449 1.00 0.00 C ATOM 898 C LYS A 58 1.769 12.276 7.464 1.00 0.00 C ATOM 899 O LYS A 58 2.369 12.046 6.434 1.00 0.00 O ATOM 900 CB LYS A 58 -0.602 11.624 6.994 1.00 0.00 C ATOM 901 CG LYS A 58 -2.056 12.062 7.163 1.00 0.00 C ATOM 902 CD LYS A 58 -2.986 10.943 6.695 1.00 0.00 C ATOM 903 CE LYS A 58 -4.440 11.363 6.917 1.00 0.00 C ATOM 904 NZ LYS A 58 -4.744 12.568 6.092 1.00 0.00 N ATOM 0 H LYS A 58 -0.477 13.746 5.730 1.00 0.00 H new ATOM 0 HA LYS A 58 0.045 13.072 8.457 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -0.403 11.374 5.952 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -0.409 10.725 7.580 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -2.255 12.301 8.208 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -2.243 12.968 6.587 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -2.815 10.730 5.640 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -2.773 10.025 7.244 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -5.110 10.547 6.647 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -4.610 11.580 7.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -5.774 12.674 5.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -4.350 13.413 6.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -4.320 12.459 5.149 1.00 0.00 H new ATOM 918 N GLN A 59 2.335 12.119 8.634 1.00 0.00 N ATOM 919 CA GLN A 59 3.750 11.653 8.734 1.00 0.00 C ATOM 920 C GLN A 59 3.800 10.128 8.655 1.00 0.00 C ATOM 921 O GLN A 59 2.828 9.451 8.923 1.00 0.00 O ATOM 922 CB GLN A 59 4.351 12.110 10.066 1.00 0.00 C ATOM 923 CG GLN A 59 5.813 11.661 10.141 1.00 0.00 C ATOM 924 CD GLN A 59 6.494 12.312 11.344 1.00 0.00 C ATOM 925 OE1 GLN A 59 5.987 13.265 11.904 1.00 0.00 O ATOM 926 NE2 GLN A 59 7.634 11.835 11.766 1.00 0.00 N ATOM 0 H GLN A 59 1.875 12.295 9.527 1.00 0.00 H new ATOM 0 HA GLN A 59 4.323 12.078 7.910 1.00 0.00 H new ATOM 0 HB2 GLN A 59 4.286 13.194 10.154 1.00 0.00 H new ATOM 0 HB3 GLN A 59 3.786 11.688 10.897 1.00 0.00 H new ATOM 0 HG2 GLN A 59 5.866 10.576 10.225 1.00 0.00 H new ATOM 0 HG3 GLN A 59 6.335 11.935 9.224 1.00 0.00 H new ATOM 0 HE21 GLN A 59 8.058 11.036 11.295 1.00 0.00 H new ATOM 0 HE22 GLN A 59 8.100 12.262 12.566 1.00 0.00 H new ATOM 935 N LEU A 60 4.934 9.587 8.287 1.00 0.00 N ATOM 936 CA LEU A 60 5.086 8.103 8.182 1.00 0.00 C ATOM 937 C LEU A 60 6.201 7.653 9.125 1.00 0.00 C ATOM 938 O LEU A 60 7.098 8.409 9.441 1.00 0.00 O ATOM 939 CB LEU A 60 5.463 7.739 6.747 1.00 0.00 C ATOM 940 CG LEU A 60 4.389 8.245 5.780 1.00 0.00 C ATOM 941 CD1 LEU A 60 4.809 7.905 4.349 1.00 0.00 C ATOM 942 CD2 LEU A 60 3.036 7.582 6.097 1.00 0.00 C ATOM 0 H LEU A 60 5.773 10.118 8.052 1.00 0.00 H new ATOM 0 HA LEU A 60 4.151 7.612 8.451 1.00 0.00 H new ATOM 0 HB2 LEU A 60 6.428 8.177 6.493 1.00 0.00 H new ATOM 0 HB3 LEU A 60 5.569 6.658 6.653 1.00 0.00 H new ATOM 0 HG LEU A 60 4.282 9.324 5.888 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.050 8.262 3.653 1.00 0.00 H new ATOM 0 HD12 LEU A 60 5.761 8.386 4.125 1.00 0.00 H new ATOM 0 HD13 LEU A 60 4.915 6.825 4.248 1.00 0.00 H new ATOM 0 HD21 LEU A 60 2.280 7.949 5.403 1.00 0.00 H new ATOM 0 HD22 LEU A 60 3.128 6.501 5.995 1.00 0.00 H new ATOM 0 HD23 LEU A 60 2.741 7.826 7.118 1.00 0.00 H new ATOM 954 N GLN A 61 6.142 6.430 9.584 1.00 0.00 N ATOM 955 CA GLN A 61 7.185 5.906 10.522 1.00 0.00 C ATOM 956 C GLN A 61 7.947 4.762 9.851 1.00 0.00 C ATOM 957 O GLN A 61 7.371 3.851 9.288 1.00 0.00 O ATOM 958 CB GLN A 61 6.493 5.415 11.793 1.00 0.00 C ATOM 959 CG GLN A 61 6.049 6.622 12.620 1.00 0.00 C ATOM 960 CD GLN A 61 5.340 6.145 13.884 1.00 0.00 C ATOM 961 OE1 GLN A 61 5.830 5.275 14.579 1.00 0.00 O ATOM 962 NE2 GLN A 61 4.198 6.679 14.215 1.00 0.00 N ATOM 0 H GLN A 61 5.408 5.763 9.347 1.00 0.00 H new ATOM 0 HA GLN A 61 7.896 6.692 10.777 1.00 0.00 H new ATOM 0 HB2 GLN A 61 5.632 4.797 11.538 1.00 0.00 H new ATOM 0 HB3 GLN A 61 7.172 4.791 12.374 1.00 0.00 H new ATOM 0 HG2 GLN A 61 6.913 7.232 12.884 1.00 0.00 H new ATOM 0 HG3 GLN A 61 5.381 7.252 12.032 1.00 0.00 H new ATOM 0 HE21 GLN A 61 3.788 7.408 13.632 1.00 0.00 H new ATOM 0 HE22 GLN A 61 3.714 6.368 15.057 1.00 0.00 H new ATOM 971 N ASP A 62 9.249 4.818 9.889 1.00 0.00 N ATOM 972 CA ASP A 62 10.064 3.761 9.231 1.00 0.00 C ATOM 973 C ASP A 62 9.878 2.413 9.934 1.00 0.00 C ATOM 974 O ASP A 62 9.763 2.335 11.140 1.00 0.00 O ATOM 975 CB ASP A 62 11.540 4.167 9.262 1.00 0.00 C ATOM 976 CG ASP A 62 12.019 4.287 10.709 1.00 0.00 C ATOM 977 OD1 ASP A 62 11.196 4.159 11.600 1.00 0.00 O ATOM 978 OD2 ASP A 62 13.204 4.506 10.902 1.00 0.00 O ATOM 0 H ASP A 62 9.785 5.554 10.349 1.00 0.00 H new ATOM 0 HA ASP A 62 9.733 3.654 8.198 1.00 0.00 H new ATOM 0 HB2 ASP A 62 12.140 3.428 8.732 1.00 0.00 H new ATOM 0 HB3 ASP A 62 11.675 5.117 8.745 1.00 0.00 H new ATOM 983 N SER A 63 9.859 1.354 9.167 1.00 0.00 N ATOM 984 CA SER A 63 9.698 -0.012 9.742 1.00 0.00 C ATOM 985 C SER A 63 8.315 -0.179 10.377 1.00 0.00 C ATOM 986 O SER A 63 8.027 -1.203 10.966 1.00 0.00 O ATOM 987 CB SER A 63 10.777 -0.257 10.803 1.00 0.00 C ATOM 988 OG SER A 63 12.001 0.325 10.373 1.00 0.00 O ATOM 0 H SER A 63 9.950 1.380 8.151 1.00 0.00 H new ATOM 0 HA SER A 63 9.800 -0.737 8.934 1.00 0.00 H new ATOM 0 HB2 SER A 63 10.471 0.175 11.756 1.00 0.00 H new ATOM 0 HB3 SER A 63 10.907 -1.327 10.965 1.00 0.00 H new ATOM 0 HG SER A 63 12.692 0.171 11.051 1.00 0.00 H new ATOM 994 N ASP A 64 7.450 0.800 10.278 1.00 0.00 N ATOM 995 CA ASP A 64 6.102 0.639 10.904 1.00 0.00 C ATOM 996 C ASP A 64 5.184 -0.174 9.981 1.00 0.00 C ATOM 997 O ASP A 64 5.137 0.030 8.786 1.00 0.00 O ATOM 998 CB ASP A 64 5.490 2.015 11.185 1.00 0.00 C ATOM 999 CG ASP A 64 5.061 2.695 9.881 1.00 0.00 C ATOM 1000 OD1 ASP A 64 5.563 2.315 8.838 1.00 0.00 O ATOM 1001 OD2 ASP A 64 4.239 3.594 9.951 1.00 0.00 O ATOM 0 H ASP A 64 7.614 1.687 9.801 1.00 0.00 H new ATOM 0 HA ASP A 64 6.210 0.103 11.847 1.00 0.00 H new ATOM 0 HB2 ASP A 64 4.629 1.907 11.845 1.00 0.00 H new ATOM 0 HB3 ASP A 64 6.215 2.641 11.706 1.00 0.00 H new ATOM 1006 N VAL A 65 4.451 -1.101 10.538 1.00 0.00 N ATOM 1007 CA VAL A 65 3.526 -1.935 9.713 1.00 0.00 C ATOM 1008 C VAL A 65 2.131 -1.323 9.767 1.00 0.00 C ATOM 1009 O VAL A 65 1.499 -1.291 10.804 1.00 0.00 O ATOM 1010 CB VAL A 65 3.488 -3.355 10.275 1.00 0.00 C ATOM 1011 CG1 VAL A 65 2.758 -4.275 9.295 1.00 0.00 C ATOM 1012 CG2 VAL A 65 4.920 -3.854 10.470 1.00 0.00 C ATOM 0 H VAL A 65 4.453 -1.318 11.535 1.00 0.00 H new ATOM 0 HA VAL A 65 3.873 -1.968 8.680 1.00 0.00 H new ATOM 0 HB VAL A 65 2.963 -3.357 11.230 1.00 0.00 H new ATOM 0 HG11 VAL A 65 2.732 -5.288 9.697 1.00 0.00 H new ATOM 0 HG12 VAL A 65 1.739 -3.916 9.149 1.00 0.00 H new ATOM 0 HG13 VAL A 65 3.282 -4.278 8.339 1.00 0.00 H new ATOM 0 HG21 VAL A 65 4.901 -4.867 10.871 1.00 0.00 H new ATOM 0 HG22 VAL A 65 5.439 -3.853 9.512 1.00 0.00 H new ATOM 0 HG23 VAL A 65 5.442 -3.198 11.166 1.00 0.00 H new ATOM 1022 N VAL A 66 1.652 -0.821 8.658 1.00 0.00 N ATOM 1023 CA VAL A 66 0.297 -0.189 8.637 1.00 0.00 C ATOM 1024 C VAL A 66 -0.449 -0.580 7.361 1.00 0.00 C ATOM 1025 O VAL A 66 0.127 -1.082 6.408 1.00 0.00 O ATOM 1026 CB VAL A 66 0.442 1.337 8.710 1.00 0.00 C ATOM 1027 CG1 VAL A 66 1.379 1.706 9.864 1.00 0.00 C ATOM 1028 CG2 VAL A 66 1.029 1.862 7.394 1.00 0.00 C ATOM 0 H VAL A 66 2.142 -0.821 7.763 1.00 0.00 H new ATOM 0 HA VAL A 66 -0.273 -0.540 9.497 1.00 0.00 H new ATOM 0 HB VAL A 66 -0.538 1.785 8.876 1.00 0.00 H new ATOM 0 HG11 VAL A 66 1.482 2.790 9.916 1.00 0.00 H new ATOM 0 HG12 VAL A 66 0.965 1.335 10.802 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.357 1.256 9.696 1.00 0.00 H new ATOM 0 HG21 VAL A 66 1.131 2.946 7.448 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.008 1.413 7.228 1.00 0.00 H new ATOM 0 HG23 VAL A 66 0.365 1.601 6.570 1.00 0.00 H new ATOM 1038 N ARG A 67 -1.736 -0.345 7.343 1.00 0.00 N ATOM 1039 CA ARG A 67 -2.570 -0.671 6.148 1.00 0.00 C ATOM 1040 C ARG A 67 -3.167 0.623 5.607 1.00 0.00 C ATOM 1041 O ARG A 67 -3.685 1.431 6.349 1.00 0.00 O ATOM 1042 CB ARG A 67 -3.690 -1.631 6.550 1.00 0.00 C ATOM 1043 CG ARG A 67 -4.492 -2.019 5.307 1.00 0.00 C ATOM 1044 CD ARG A 67 -5.542 -3.062 5.685 1.00 0.00 C ATOM 1045 NE ARG A 67 -6.527 -2.452 6.621 1.00 0.00 N ATOM 1046 CZ ARG A 67 -7.431 -3.197 7.196 1.00 0.00 C ATOM 1047 NH1 ARG A 67 -7.470 -4.481 6.956 1.00 0.00 N ATOM 1048 NH2 ARG A 67 -8.297 -2.658 8.010 1.00 0.00 N ATOM 0 H ARG A 67 -2.253 0.066 8.120 1.00 0.00 H new ATOM 0 HA ARG A 67 -1.958 -1.146 5.382 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -3.271 -2.521 7.019 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -4.342 -1.160 7.286 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -4.975 -1.139 4.883 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -3.827 -2.418 4.541 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -6.049 -3.425 4.791 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -5.064 -3.923 6.152 1.00 0.00 H new ATOM 0 HE ARG A 67 -6.495 -1.451 6.813 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -6.794 -4.902 6.319 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -8.177 -5.063 7.406 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -8.267 -1.656 8.196 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -9.004 -3.239 8.460 1.00 0.00 H new ATOM 1062 N ILE A 68 -3.088 0.831 4.317 1.00 0.00 N ATOM 1063 CA ILE A 68 -3.640 2.085 3.715 1.00 0.00 C ATOM 1064 C ILE A 68 -4.934 1.757 2.974 1.00 0.00 C ATOM 1065 O ILE A 68 -4.985 0.847 2.173 1.00 0.00 O ATOM 1066 CB ILE A 68 -2.625 2.662 2.725 1.00 0.00 C ATOM 1067 CG1 ILE A 68 -1.297 2.904 3.446 1.00 0.00 C ATOM 1068 CG2 ILE A 68 -3.149 3.993 2.179 1.00 0.00 C ATOM 1069 CD1 ILE A 68 -0.214 3.272 2.429 1.00 0.00 C ATOM 0 H ILE A 68 -2.664 0.185 3.652 1.00 0.00 H new ATOM 0 HA ILE A 68 -3.839 2.813 4.501 1.00 0.00 H new ATOM 0 HB ILE A 68 -2.477 1.960 1.904 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -1.410 3.705 4.176 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -1.003 2.010 3.996 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -2.428 4.406 1.474 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -4.100 3.829 1.672 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -3.293 4.693 3.002 1.00 0.00 H new ATOM 0 HD11 ILE A 68 0.729 3.443 2.948 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -0.093 2.457 1.715 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -0.506 4.178 1.898 1.00 0.00 H new ATOM 1081 N ASP A 69 -5.983 2.496 3.243 1.00 0.00 N ATOM 1082 CA ASP A 69 -7.294 2.244 2.566 1.00 0.00 C ATOM 1083 C ASP A 69 -7.612 3.403 1.619 1.00 0.00 C ATOM 1084 O ASP A 69 -7.325 4.553 1.905 1.00 0.00 O ATOM 1085 CB ASP A 69 -8.396 2.141 3.622 1.00 0.00 C ATOM 1086 CG ASP A 69 -8.275 0.808 4.364 1.00 0.00 C ATOM 1087 OD1 ASP A 69 -7.577 -0.062 3.869 1.00 0.00 O ATOM 1088 OD2 ASP A 69 -8.883 0.679 5.412 1.00 0.00 O ATOM 0 H ASP A 69 -5.987 3.269 3.908 1.00 0.00 H new ATOM 0 HA ASP A 69 -7.237 1.315 1.999 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -8.317 2.969 4.326 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -9.375 2.218 3.149 1.00 0.00 H new ATOM 1093 N ASN A 70 -8.205 3.094 0.493 1.00 0.00 N ATOM 1094 CA ASN A 70 -8.558 4.148 -0.500 1.00 0.00 C ATOM 1095 C ASN A 70 -7.290 4.860 -0.974 1.00 0.00 C ATOM 1096 O ASN A 70 -7.278 6.059 -1.172 1.00 0.00 O ATOM 1097 CB ASN A 70 -9.515 5.162 0.138 1.00 0.00 C ATOM 1098 CG ASN A 70 -10.163 6.010 -0.959 1.00 0.00 C ATOM 1099 OD1 ASN A 70 -10.441 5.520 -2.037 1.00 0.00 O ATOM 1100 ND2 ASN A 70 -10.418 7.268 -0.728 1.00 0.00 N ATOM 0 H ASN A 70 -8.461 2.146 0.219 1.00 0.00 H new ATOM 0 HA ASN A 70 -9.047 3.683 -1.356 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -10.282 4.643 0.712 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -8.973 5.801 0.835 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -10.851 7.842 -1.452 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -10.185 7.678 0.176 1.00 0.00 H new ATOM 1107 N ALA A 71 -6.224 4.126 -1.172 1.00 0.00 N ATOM 1108 CA ALA A 71 -4.957 4.756 -1.646 1.00 0.00 C ATOM 1109 C ALA A 71 -5.132 5.190 -3.101 1.00 0.00 C ATOM 1110 O ALA A 71 -5.827 4.544 -3.864 1.00 0.00 O ATOM 1111 CB ALA A 71 -3.818 3.742 -1.553 1.00 0.00 C ATOM 0 H ALA A 71 -6.178 3.118 -1.025 1.00 0.00 H new ATOM 0 HA ALA A 71 -4.722 5.622 -1.027 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -2.892 4.202 -1.899 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -3.699 3.422 -0.518 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -4.049 2.878 -2.176 1.00 0.00 H new ATOM 1117 N ARG A 72 -4.505 6.275 -3.493 1.00 0.00 N ATOM 1118 CA ARG A 72 -4.635 6.762 -4.902 1.00 0.00 C ATOM 1119 C ARG A 72 -3.405 6.338 -5.712 1.00 0.00 C ATOM 1120 O ARG A 72 -2.284 6.676 -5.389 1.00 0.00 O ATOM 1121 CB ARG A 72 -4.747 8.289 -4.891 1.00 0.00 C ATOM 1122 CG ARG A 72 -5.187 8.782 -6.269 1.00 0.00 C ATOM 1123 CD ARG A 72 -5.426 10.292 -6.221 1.00 0.00 C ATOM 1124 NE ARG A 72 -4.147 10.996 -5.912 1.00 0.00 N ATOM 1125 CZ ARG A 72 -3.311 11.298 -6.870 1.00 0.00 C ATOM 1126 NH1 ARG A 72 -3.575 10.956 -8.102 1.00 0.00 N ATOM 1127 NH2 ARG A 72 -2.208 11.940 -6.594 1.00 0.00 N ATOM 0 H ARG A 72 -3.907 6.845 -2.895 1.00 0.00 H new ATOM 0 HA ARG A 72 -5.525 6.331 -5.360 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -5.465 8.605 -4.134 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -3.787 8.732 -4.625 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -4.424 8.548 -7.011 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -6.098 8.269 -6.576 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -5.821 10.638 -7.177 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -6.174 10.527 -5.464 1.00 0.00 H new ATOM 0 HE ARG A 72 -3.924 11.243 -4.948 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -4.435 10.452 -8.318 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -2.921 11.193 -8.848 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -2.000 12.205 -5.631 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -1.555 12.176 -7.341 1.00 0.00 H new ATOM 1141 N VAL A 73 -3.616 5.591 -6.764 1.00 0.00 N ATOM 1142 CA VAL A 73 -2.477 5.122 -7.606 1.00 0.00 C ATOM 1143 C VAL A 73 -2.098 6.208 -8.615 1.00 0.00 C ATOM 1144 O VAL A 73 -2.945 6.791 -9.258 1.00 0.00 O ATOM 1145 CB VAL A 73 -2.902 3.861 -8.359 1.00 0.00 C ATOM 1146 CG1 VAL A 73 -1.776 3.412 -9.289 1.00 0.00 C ATOM 1147 CG2 VAL A 73 -3.212 2.751 -7.353 1.00 0.00 C ATOM 0 H VAL A 73 -4.536 5.284 -7.078 1.00 0.00 H new ATOM 0 HA VAL A 73 -1.618 4.906 -6.970 1.00 0.00 H new ATOM 0 HB VAL A 73 -3.791 4.074 -8.952 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -2.083 2.513 -9.824 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -1.558 4.204 -10.005 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -0.883 3.198 -8.702 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -3.515 1.850 -7.887 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -2.323 2.539 -6.760 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -4.019 3.072 -6.695 1.00 0.00 H new ATOM 1157 N ALA A 74 -0.826 6.487 -8.756 1.00 0.00 N ATOM 1158 CA ALA A 74 -0.386 7.537 -9.724 1.00 0.00 C ATOM 1159 C ALA A 74 0.914 7.093 -10.396 1.00 0.00 C ATOM 1160 O ALA A 74 1.663 6.306 -9.851 1.00 0.00 O ATOM 1161 CB ALA A 74 -0.144 8.849 -8.975 1.00 0.00 C ATOM 0 H ALA A 74 -0.072 6.032 -8.241 1.00 0.00 H new ATOM 0 HA ALA A 74 -1.158 7.684 -10.479 1.00 0.00 H new ATOM 0 HB1 ALA A 74 0.177 9.616 -9.679 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -1.067 9.166 -8.489 1.00 0.00 H new ATOM 0 HB3 ALA A 74 0.630 8.701 -8.222 1.00 0.00 H new ATOM 1167 N GLN A 75 1.186 7.593 -11.577 1.00 0.00 N ATOM 1168 CA GLN A 75 2.439 7.212 -12.303 1.00 0.00 C ATOM 1169 C GLN A 75 3.344 8.437 -12.425 1.00 0.00 C ATOM 1170 O GLN A 75 2.972 9.434 -13.009 1.00 0.00 O ATOM 1171 CB GLN A 75 2.078 6.702 -13.701 1.00 0.00 C ATOM 1172 CG GLN A 75 3.360 6.352 -14.458 1.00 0.00 C ATOM 1173 CD GLN A 75 3.003 5.641 -15.763 1.00 0.00 C ATOM 1174 OE1 GLN A 75 2.305 6.185 -16.596 1.00 0.00 O ATOM 1175 NE2 GLN A 75 3.456 4.436 -15.975 1.00 0.00 N ATOM 0 H GLN A 75 0.589 8.254 -12.073 1.00 0.00 H new ATOM 0 HA GLN A 75 2.959 6.428 -11.752 1.00 0.00 H new ATOM 0 HB2 GLN A 75 1.435 5.825 -13.626 1.00 0.00 H new ATOM 0 HB3 GLN A 75 1.517 7.462 -14.244 1.00 0.00 H new ATOM 0 HG2 GLN A 75 3.929 7.257 -14.669 1.00 0.00 H new ATOM 0 HG3 GLN A 75 3.994 5.712 -13.844 1.00 0.00 H new ATOM 0 HE21 GLN A 75 4.042 3.981 -15.275 1.00 0.00 H new ATOM 0 HE22 GLN A 75 3.224 3.949 -16.841 1.00 0.00 H new ATOM 1184 N PHE A 76 4.530 8.368 -11.869 1.00 0.00 N ATOM 1185 CA PHE A 76 5.480 9.526 -11.934 1.00 0.00 C ATOM 1186 C PHE A 76 6.806 9.069 -12.547 1.00 0.00 C ATOM 1187 O PHE A 76 7.331 8.028 -12.209 1.00 0.00 O ATOM 1188 CB PHE A 76 5.726 10.058 -10.520 1.00 0.00 C ATOM 1189 CG PHE A 76 4.508 10.822 -10.056 1.00 0.00 C ATOM 1190 CD1 PHE A 76 4.258 12.102 -10.563 1.00 0.00 C ATOM 1191 CD2 PHE A 76 3.630 10.254 -9.124 1.00 0.00 C ATOM 1192 CE1 PHE A 76 3.131 12.816 -10.138 1.00 0.00 C ATOM 1193 CE2 PHE A 76 2.503 10.968 -8.700 1.00 0.00 C ATOM 1194 CZ PHE A 76 2.254 12.249 -9.206 1.00 0.00 C ATOM 0 H PHE A 76 4.884 7.553 -11.369 1.00 0.00 H new ATOM 0 HA PHE A 76 5.051 10.315 -12.552 1.00 0.00 H new ATOM 0 HB2 PHE A 76 5.933 9.232 -9.839 1.00 0.00 H new ATOM 0 HB3 PHE A 76 6.602 10.707 -10.510 1.00 0.00 H new ATOM 0 HD1 PHE A 76 4.935 12.539 -11.282 1.00 0.00 H new ATOM 0 HD2 PHE A 76 3.822 9.266 -8.733 1.00 0.00 H new ATOM 0 HE1 PHE A 76 2.938 13.804 -10.529 1.00 0.00 H new ATOM 0 HE2 PHE A 76 1.825 10.530 -7.982 1.00 0.00 H new ATOM 0 HZ PHE A 76 1.385 12.800 -8.877 1.00 0.00 H new ATOM 1204 N ASN A 77 7.342 9.847 -13.450 1.00 0.00 N ATOM 1205 CA ASN A 77 8.631 9.479 -14.099 1.00 0.00 C ATOM 1206 C ASN A 77 8.517 8.081 -14.709 1.00 0.00 C ATOM 1207 O ASN A 77 9.481 7.348 -14.787 1.00 0.00 O ATOM 1208 CB ASN A 77 9.760 9.512 -13.062 1.00 0.00 C ATOM 1209 CG ASN A 77 10.041 10.962 -12.646 1.00 0.00 C ATOM 1210 OD1 ASN A 77 10.573 11.205 -11.581 1.00 0.00 O ATOM 1211 ND2 ASN A 77 9.708 11.941 -13.443 1.00 0.00 N ATOM 0 H ASN A 77 6.938 10.728 -13.767 1.00 0.00 H new ATOM 0 HA ASN A 77 8.857 10.194 -14.890 1.00 0.00 H new ATOM 0 HB2 ASN A 77 9.482 8.921 -12.189 1.00 0.00 H new ATOM 0 HB3 ASN A 77 10.661 9.062 -13.478 1.00 0.00 H new ATOM 0 HD21 ASN A 77 9.895 12.906 -13.171 1.00 0.00 H new ATOM 0 HD22 ASN A 77 9.261 11.741 -14.338 1.00 0.00 H new ATOM 1218 N GLY A 78 7.343 7.715 -15.156 1.00 0.00 N ATOM 1219 CA GLY A 78 7.163 6.373 -15.780 1.00 0.00 C ATOM 1220 C GLY A 78 7.164 5.282 -14.707 1.00 0.00 C ATOM 1221 O GLY A 78 7.234 4.108 -15.017 1.00 0.00 O ATOM 0 H GLY A 78 6.501 8.290 -15.115 1.00 0.00 H new ATOM 0 HA2 GLY A 78 6.225 6.346 -16.335 1.00 0.00 H new ATOM 0 HA3 GLY A 78 7.963 6.188 -16.497 1.00 0.00 H new ATOM 1225 N TYR A 79 7.095 5.656 -13.451 1.00 0.00 N ATOM 1226 CA TYR A 79 7.100 4.643 -12.346 1.00 0.00 C ATOM 1227 C TYR A 79 5.820 4.761 -11.519 1.00 0.00 C ATOM 1228 O TYR A 79 5.338 5.841 -11.241 1.00 0.00 O ATOM 1229 CB TYR A 79 8.320 4.881 -11.458 1.00 0.00 C ATOM 1230 CG TYR A 79 9.563 4.610 -12.269 1.00 0.00 C ATOM 1231 CD1 TYR A 79 9.930 3.290 -12.558 1.00 0.00 C ATOM 1232 CD2 TYR A 79 10.345 5.672 -12.739 1.00 0.00 C ATOM 1233 CE1 TYR A 79 11.078 3.032 -13.316 1.00 0.00 C ATOM 1234 CE2 TYR A 79 11.494 5.415 -13.496 1.00 0.00 C ATOM 1235 CZ TYR A 79 11.860 4.094 -13.785 1.00 0.00 C ATOM 1236 OH TYR A 79 12.993 3.840 -14.530 1.00 0.00 O ATOM 0 H TYR A 79 7.035 6.626 -13.142 1.00 0.00 H new ATOM 0 HA TYR A 79 7.146 3.640 -12.771 1.00 0.00 H new ATOM 0 HB2 TYR A 79 8.325 5.906 -11.088 1.00 0.00 H new ATOM 0 HB3 TYR A 79 8.287 4.228 -10.586 1.00 0.00 H new ATOM 0 HD1 TYR A 79 9.327 2.471 -12.196 1.00 0.00 H new ATOM 0 HD2 TYR A 79 10.061 6.690 -12.517 1.00 0.00 H new ATOM 0 HE1 TYR A 79 11.360 2.014 -13.539 1.00 0.00 H new ATOM 0 HE2 TYR A 79 12.098 6.234 -13.857 1.00 0.00 H new ATOM 0 HH TYR A 79 13.419 4.687 -14.777 1.00 0.00 H new ATOM 1246 N LEU A 80 5.263 3.645 -11.137 1.00 0.00 N ATOM 1247 CA LEU A 80 4.003 3.656 -10.343 1.00 0.00 C ATOM 1248 C LEU A 80 4.290 4.018 -8.887 1.00 0.00 C ATOM 1249 O LEU A 80 5.300 3.650 -8.323 1.00 0.00 O ATOM 1250 CB LEU A 80 3.363 2.262 -10.413 1.00 0.00 C ATOM 1251 CG LEU A 80 2.557 2.112 -11.714 1.00 0.00 C ATOM 1252 CD1 LEU A 80 1.284 2.987 -11.672 1.00 0.00 C ATOM 1253 CD2 LEU A 80 3.435 2.526 -12.902 1.00 0.00 C ATOM 0 H LEU A 80 5.631 2.717 -11.344 1.00 0.00 H new ATOM 0 HA LEU A 80 3.324 4.402 -10.755 1.00 0.00 H new ATOM 0 HB2 LEU A 80 4.137 1.496 -10.366 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.711 2.110 -9.553 1.00 0.00 H new ATOM 0 HG LEU A 80 2.253 1.071 -11.824 1.00 0.00 H new ATOM 0 HD11 LEU A 80 0.728 2.866 -12.602 1.00 0.00 H new ATOM 0 HD12 LEU A 80 0.659 2.680 -10.833 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.565 4.033 -11.551 1.00 0.00 H new ATOM 0 HD21 LEU A 80 2.868 2.421 -13.827 1.00 0.00 H new ATOM 0 HD22 LEU A 80 3.744 3.564 -12.781 1.00 0.00 H new ATOM 0 HD23 LEU A 80 4.317 1.887 -12.943 1.00 0.00 H new ATOM 1265 N SER A 81 3.388 4.739 -8.282 1.00 0.00 N ATOM 1266 CA SER A 81 3.568 5.141 -6.857 1.00 0.00 C ATOM 1267 C SER A 81 2.191 5.300 -6.208 1.00 0.00 C ATOM 1268 O SER A 81 1.214 5.597 -6.867 1.00 0.00 O ATOM 1269 CB SER A 81 4.325 6.467 -6.792 1.00 0.00 C ATOM 1270 OG SER A 81 5.699 6.233 -7.068 1.00 0.00 O ATOM 0 H SER A 81 2.527 5.070 -8.716 1.00 0.00 H new ATOM 0 HA SER A 81 4.138 4.379 -6.326 1.00 0.00 H new ATOM 0 HB2 SER A 81 3.911 7.172 -7.513 1.00 0.00 H new ATOM 0 HB3 SER A 81 4.211 6.917 -5.806 1.00 0.00 H new ATOM 0 HG SER A 81 5.815 5.317 -7.396 1.00 0.00 H new ATOM 1276 N LEU A 82 2.107 5.104 -4.918 1.00 0.00 N ATOM 1277 CA LEU A 82 0.795 5.238 -4.210 1.00 0.00 C ATOM 1278 C LEU A 82 0.777 6.562 -3.452 1.00 0.00 C ATOM 1279 O LEU A 82 1.686 6.873 -2.711 1.00 0.00 O ATOM 1280 CB LEU A 82 0.637 4.083 -3.221 1.00 0.00 C ATOM 1281 CG LEU A 82 0.765 2.749 -3.964 1.00 0.00 C ATOM 1282 CD1 LEU A 82 0.647 1.599 -2.961 1.00 0.00 C ATOM 1283 CD2 LEU A 82 -0.345 2.629 -5.021 1.00 0.00 C ATOM 0 H LEU A 82 2.895 4.855 -4.319 1.00 0.00 H new ATOM 0 HA LEU A 82 -0.023 5.214 -4.930 1.00 0.00 H new ATOM 0 HB2 LEU A 82 1.397 4.151 -2.442 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -0.333 4.144 -2.727 1.00 0.00 H new ATOM 0 HG LEU A 82 1.734 2.704 -4.461 1.00 0.00 H new ATOM 0 HD11 LEU A 82 0.738 0.648 -3.486 1.00 0.00 H new ATOM 0 HD12 LEU A 82 1.441 1.681 -2.219 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -0.322 1.648 -2.463 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -0.247 1.678 -5.545 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -1.319 2.676 -4.533 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -0.257 3.448 -5.735 1.00 0.00 H new ATOM 1295 N SER A 83 -0.252 7.348 -3.644 1.00 0.00 N ATOM 1296 CA SER A 83 -0.345 8.670 -2.953 1.00 0.00 C ATOM 1297 C SER A 83 -1.449 8.617 -1.897 1.00 0.00 C ATOM 1298 O SER A 83 -2.579 8.275 -2.182 1.00 0.00 O ATOM 1299 CB SER A 83 -0.678 9.747 -3.985 1.00 0.00 C ATOM 1300 OG SER A 83 -1.005 10.957 -3.318 1.00 0.00 O ATOM 0 H SER A 83 -1.038 7.128 -4.255 1.00 0.00 H new ATOM 0 HA SER A 83 0.604 8.902 -2.470 1.00 0.00 H new ATOM 0 HB2 SER A 83 0.172 9.904 -4.650 1.00 0.00 H new ATOM 0 HB3 SER A 83 -1.514 9.424 -4.606 1.00 0.00 H new ATOM 0 HG SER A 83 -1.756 11.390 -3.775 1.00 0.00 H new ATOM 1306 N VAL A 84 -1.127 8.954 -0.674 1.00 0.00 N ATOM 1307 CA VAL A 84 -2.149 8.931 0.414 1.00 0.00 C ATOM 1308 C VAL A 84 -2.652 10.359 0.641 1.00 0.00 C ATOM 1309 O VAL A 84 -1.936 11.215 1.134 1.00 0.00 O ATOM 1310 CB VAL A 84 -1.496 8.393 1.688 1.00 0.00 C ATOM 1311 CG1 VAL A 84 -2.566 8.112 2.742 1.00 0.00 C ATOM 1312 CG2 VAL A 84 -0.754 7.096 1.355 1.00 0.00 C ATOM 0 H VAL A 84 -0.194 9.246 -0.382 1.00 0.00 H new ATOM 0 HA VAL A 84 -2.989 8.291 0.143 1.00 0.00 H new ATOM 0 HB VAL A 84 -0.797 9.132 2.080 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -2.094 7.729 3.647 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -3.100 9.034 2.973 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -3.269 7.372 2.359 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -0.284 6.704 2.257 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -1.460 6.363 0.965 1.00 0.00 H new ATOM 0 HG23 VAL A 84 0.011 7.297 0.605 1.00 0.00 H new ATOM 1322 N GLY A 85 -3.878 10.626 0.261 1.00 0.00 N ATOM 1323 CA GLY A 85 -4.444 12.001 0.418 1.00 0.00 C ATOM 1324 C GLY A 85 -5.221 12.121 1.733 1.00 0.00 C ATOM 1325 O GLY A 85 -5.288 11.203 2.523 1.00 0.00 O ATOM 0 H GLY A 85 -4.514 9.945 -0.154 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -3.639 12.735 0.398 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -5.102 12.226 -0.421 1.00 0.00 H new ATOM 1329 N ASP A 86 -5.814 13.262 1.955 1.00 0.00 N ATOM 1330 CA ASP A 86 -6.600 13.489 3.198 1.00 0.00 C ATOM 1331 C ASP A 86 -7.829 12.577 3.207 1.00 0.00 C ATOM 1332 O ASP A 86 -8.288 12.151 4.249 1.00 0.00 O ATOM 1333 CB ASP A 86 -7.047 14.951 3.242 1.00 0.00 C ATOM 1334 CG ASP A 86 -7.542 15.297 4.647 1.00 0.00 C ATOM 1335 OD1 ASP A 86 -6.840 14.986 5.595 1.00 0.00 O ATOM 1336 OD2 ASP A 86 -8.613 15.871 4.751 1.00 0.00 O ATOM 0 H ASP A 86 -5.786 14.058 1.317 1.00 0.00 H new ATOM 0 HA ASP A 86 -5.984 13.264 4.068 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -6.218 15.603 2.967 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -7.841 15.121 2.514 1.00 0.00 H new ATOM 1341 N SER A 87 -8.368 12.278 2.057 1.00 0.00 N ATOM 1342 CA SER A 87 -9.567 11.400 2.003 1.00 0.00 C ATOM 1343 C SER A 87 -9.146 9.947 2.226 1.00 0.00 C ATOM 1344 O SER A 87 -9.972 9.063 2.327 1.00 0.00 O ATOM 1345 CB SER A 87 -10.227 11.530 0.631 1.00 0.00 C ATOM 1346 OG SER A 87 -10.302 12.904 0.276 1.00 0.00 O ATOM 0 H SER A 87 -8.028 12.605 1.152 1.00 0.00 H new ATOM 0 HA SER A 87 -10.272 11.698 2.779 1.00 0.00 H new ATOM 0 HB2 SER A 87 -9.653 10.980 -0.115 1.00 0.00 H new ATOM 0 HB3 SER A 87 -11.225 11.093 0.652 1.00 0.00 H new ATOM 0 HG SER A 87 -10.723 12.992 -0.604 1.00 0.00 H new ATOM 1352 N SER A 88 -7.865 9.697 2.303 1.00 0.00 N ATOM 1353 CA SER A 88 -7.384 8.303 2.520 1.00 0.00 C ATOM 1354 C SER A 88 -7.382 7.993 4.017 1.00 0.00 C ATOM 1355 O SER A 88 -7.479 8.881 4.841 1.00 0.00 O ATOM 1356 CB SER A 88 -5.964 8.169 1.976 1.00 0.00 C ATOM 1357 OG SER A 88 -5.563 6.809 2.057 1.00 0.00 O ATOM 0 H SER A 88 -7.131 10.401 2.225 1.00 0.00 H new ATOM 0 HA SER A 88 -8.043 7.605 2.003 1.00 0.00 H new ATOM 0 HB2 SER A 88 -5.923 8.512 0.942 1.00 0.00 H new ATOM 0 HB3 SER A 88 -5.281 8.797 2.548 1.00 0.00 H new ATOM 0 HG SER A 88 -6.346 6.230 1.948 1.00 0.00 H new ATOM 1363 N ARG A 89 -7.273 6.736 4.373 1.00 0.00 N ATOM 1364 CA ARG A 89 -7.262 6.354 5.825 1.00 0.00 C ATOM 1365 C ARG A 89 -6.134 5.353 6.080 1.00 0.00 C ATOM 1366 O ARG A 89 -5.918 4.439 5.311 1.00 0.00 O ATOM 1367 CB ARG A 89 -8.607 5.719 6.194 1.00 0.00 C ATOM 1368 CG ARG A 89 -8.631 5.387 7.688 1.00 0.00 C ATOM 1369 CD ARG A 89 -9.980 4.763 8.051 1.00 0.00 C ATOM 1370 NE ARG A 89 -9.993 4.436 9.503 1.00 0.00 N ATOM 1371 CZ ARG A 89 -10.897 3.627 9.984 1.00 0.00 C ATOM 1372 NH1 ARG A 89 -11.793 3.102 9.194 1.00 0.00 N ATOM 1373 NH2 ARG A 89 -10.903 3.344 11.258 1.00 0.00 N ATOM 0 H ARG A 89 -7.191 5.955 3.722 1.00 0.00 H new ATOM 0 HA ARG A 89 -7.101 7.243 6.435 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -9.421 6.402 5.951 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -8.765 4.813 5.608 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -7.822 4.698 7.931 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -8.467 6.291 8.275 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -10.789 5.454 7.814 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -10.148 3.862 7.461 1.00 0.00 H new ATOM 0 HE ARG A 89 -9.294 4.845 10.123 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -11.788 3.324 8.198 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -12.499 2.470 9.572 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -10.202 3.755 11.875 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -11.608 2.712 11.637 1.00 0.00 H new ATOM 1387 N ILE A 90 -5.415 5.523 7.164 1.00 0.00 N ATOM 1388 CA ILE A 90 -4.293 4.590 7.501 1.00 0.00 C ATOM 1389 C ILE A 90 -4.622 3.863 8.801 1.00 0.00 C ATOM 1390 O ILE A 90 -4.998 4.476 9.780 1.00 0.00 O ATOM 1391 CB ILE A 90 -2.999 5.385 7.689 1.00 0.00 C ATOM 1392 CG1 ILE A 90 -2.602 6.022 6.355 1.00 0.00 C ATOM 1393 CG2 ILE A 90 -1.887 4.447 8.170 1.00 0.00 C ATOM 1394 CD1 ILE A 90 -1.455 7.010 6.578 1.00 0.00 C ATOM 0 H ILE A 90 -5.559 6.276 7.836 1.00 0.00 H new ATOM 0 HA ILE A 90 -4.164 3.871 6.692 1.00 0.00 H new ATOM 0 HB ILE A 90 -3.151 6.167 8.433 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -2.298 5.250 5.648 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -3.458 6.536 5.917 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -0.966 5.014 8.304 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -2.177 3.996 9.119 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -1.727 3.663 7.430 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -1.174 7.462 5.627 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -1.775 7.789 7.270 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -0.597 6.483 6.997 1.00 0.00 H new ATOM 1406 N GLU A 91 -4.481 2.562 8.818 1.00 0.00 N ATOM 1407 CA GLU A 91 -4.781 1.777 10.056 1.00 0.00 C ATOM 1408 C GLU A 91 -3.505 1.075 10.516 1.00 0.00 C ATOM 1409 O GLU A 91 -2.824 0.432 9.744 1.00 0.00 O ATOM 1410 CB GLU A 91 -5.864 0.738 9.748 1.00 0.00 C ATOM 1411 CG GLU A 91 -6.297 0.044 11.041 1.00 0.00 C ATOM 1412 CD GLU A 91 -7.051 1.037 11.929 1.00 0.00 C ATOM 1413 OE1 GLU A 91 -7.356 2.118 11.451 1.00 0.00 O ATOM 1414 OE2 GLU A 91 -7.318 0.698 13.070 1.00 0.00 O ATOM 0 H GLU A 91 -4.169 2.005 8.022 1.00 0.00 H new ATOM 0 HA GLU A 91 -5.137 2.441 10.844 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -6.721 1.221 9.279 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -5.484 0.002 9.039 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -6.934 -0.810 10.811 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -5.425 -0.341 11.569 1.00 0.00 H new ATOM 1421 N SER A 92 -3.177 1.202 11.770 1.00 0.00 N ATOM 1422 CA SER A 92 -1.944 0.554 12.291 1.00 0.00 C ATOM 1423 C SER A 92 -2.149 -0.959 12.365 1.00 0.00 C ATOM 1424 O SER A 92 -3.256 -1.435 12.520 1.00 0.00 O ATOM 1425 CB SER A 92 -1.656 1.094 13.690 1.00 0.00 C ATOM 1426 OG SER A 92 -2.456 0.396 14.634 1.00 0.00 O ATOM 0 H SER A 92 -3.713 1.729 12.459 1.00 0.00 H new ATOM 0 HA SER A 92 -1.107 0.771 11.627 1.00 0.00 H new ATOM 0 HB2 SER A 92 -0.600 0.972 13.930 1.00 0.00 H new ATOM 0 HB3 SER A 92 -1.871 2.162 13.732 1.00 0.00 H new ATOM 0 HG SER A 92 -2.273 0.738 15.534 1.00 0.00 H new ATOM 1432 N VAL A 93 -1.085 -1.719 12.251 1.00 0.00 N ATOM 1433 CA VAL A 93 -1.193 -3.211 12.308 1.00 0.00 C ATOM 1434 C VAL A 93 -0.249 -3.754 13.383 1.00 0.00 C ATOM 1435 O VAL A 93 0.900 -3.371 13.463 1.00 0.00 O ATOM 1436 CB VAL A 93 -0.813 -3.793 10.944 1.00 0.00 C ATOM 1437 CG1 VAL A 93 -0.655 -5.315 11.050 1.00 0.00 C ATOM 1438 CG2 VAL A 93 -1.919 -3.462 9.942 1.00 0.00 C ATOM 0 H VAL A 93 -0.138 -1.365 12.120 1.00 0.00 H new ATOM 0 HA VAL A 93 -2.216 -3.496 12.555 1.00 0.00 H new ATOM 0 HB VAL A 93 0.132 -3.363 10.613 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -0.385 -5.721 10.075 1.00 0.00 H new ATOM 0 HG12 VAL A 93 0.128 -5.550 11.771 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -1.596 -5.756 11.379 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -1.660 -3.872 8.966 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -2.859 -3.898 10.280 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -2.028 -2.380 9.864 1.00 0.00 H new