USER MOD reduce.3.24.130724 H: found=0, std=0, add=1038, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 1035 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 1 MET CE :methyl -166:sc= 0 (180deg=0) USER MOD Set 1.2: A 79 HIS : no HE2:sc= -3.1! C(o=-3.1!,f=-5.9!) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -0.0914 X(o=-0.091,f=-0.3) USER MOD Single : A 13 ASN : amide:sc= -0.57 K(o=-0.57,f=-7.3!) USER MOD Single : A 15 ASN : amide:sc= -3.74! C(o=-3.7!,f=-4.8!) USER MOD Single : A 16 ASN : amide:sc= -7.48! C(o=-7.5!,f=-9.3!) USER MOD Single : A 21 THR OG1 : rot -160:sc= -0.445 USER MOD Single : A 28 HIS : no HD1:sc= -0.0331 X(o=-0.033,f=0) USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= -0.0572 X(o=-0.057,f=-0.23) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl -166:sc= -0.0882 (180deg=-0.38) USER MOD Single : A 45 THR OG1 : rot 180:sc= -2.35! USER MOD Single : A 48 GLN : amide:sc= -0.436 X(o=-0.44,f=-0.86) USER MOD Single : A 55 GLN : amide:sc= -0.413 K(o=-0.41,f=-3.4!) USER MOD Single : A 61 THR OG1 : rot 180:sc= -2.54! USER MOD Single : A 63 GLN : amide:sc= -9.03! C(o=-9!,f=-8.3!) USER MOD Single : A 64 HIS : no HD1:sc= -0.313 X(o=-0.31,f=-0.11) USER MOD Single : A 66 SER OG : rot 11:sc= 1.07 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc= -0.242 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 GLN : amide:sc= -1.56 X(o=-1.6,f=-1.9!) USER MOD Single : A 105 MET CE :methyl 164:sc= -1.45 (180deg=-2.32!) USER MOD Single : A 106 SER OG : rot -86:sc= 1.24 USER MOD Single : A 111 ASN : amide:sc= -0.339 X(o=-0.34,f=0) USER MOD Single : A 119 ASN : amide:sc= -5.86 K(o=-5.9,f=-8.6!) USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 15.381 18.015 9.779 1.00 0.00 N ATOM 2 CA MET A 1 15.451 17.832 8.301 1.00 0.00 C ATOM 3 C MET A 1 16.157 16.512 7.987 1.00 0.00 C ATOM 4 O MET A 1 17.317 16.486 7.626 1.00 0.00 O ATOM 5 CB MET A 1 16.235 18.988 7.676 1.00 0.00 C ATOM 6 CG MET A 1 15.323 20.209 7.548 1.00 0.00 C ATOM 7 SD MET A 1 15.010 20.548 5.798 1.00 0.00 S ATOM 8 CE MET A 1 13.247 20.139 5.799 1.00 0.00 C ATOM 0 H1 MET A 1 14.901 18.912 9.995 1.00 0.00 H new ATOM 0 H2 MET A 1 14.849 17.227 10.202 1.00 0.00 H new ATOM 0 H3 MET A 1 16.344 18.033 10.172 1.00 0.00 H new ATOM 0 HA MET A 1 14.442 17.815 7.890 1.00 0.00 H new ATOM 0 HB2 MET A 1 17.101 19.230 8.292 1.00 0.00 H new ATOM 0 HB3 MET A 1 16.613 18.698 6.696 1.00 0.00 H new ATOM 0 HG2 MET A 1 14.382 20.030 8.069 1.00 0.00 H new ATOM 0 HG3 MET A 1 15.788 21.075 8.020 1.00 0.00 H new ATOM 0 HE1 MET A 1 12.896 20.037 4.772 1.00 0.00 H new ATOM 0 HE2 MET A 1 13.092 19.200 6.330 1.00 0.00 H new ATOM 0 HE3 MET A 1 12.690 20.933 6.296 1.00 0.00 H new ATOM 20 N LYS A 2 15.465 15.414 8.124 1.00 0.00 N ATOM 21 CA LYS A 2 16.095 14.097 7.836 1.00 0.00 C ATOM 22 C LYS A 2 15.376 13.435 6.654 1.00 0.00 C ATOM 23 O LYS A 2 14.990 14.094 5.709 1.00 0.00 O ATOM 24 CB LYS A 2 15.993 13.206 9.075 1.00 0.00 C ATOM 25 CG LYS A 2 17.123 12.177 9.053 1.00 0.00 C ATOM 26 CD LYS A 2 16.660 10.901 9.757 1.00 0.00 C ATOM 27 CE LYS A 2 16.737 9.724 8.783 1.00 0.00 C ATOM 28 NZ LYS A 2 17.956 8.918 9.074 1.00 0.00 N ATOM 0 H LYS A 2 14.491 15.373 8.423 1.00 0.00 H new ATOM 0 HA LYS A 2 17.145 14.238 7.581 1.00 0.00 H new ATOM 0 HB2 LYS A 2 16.055 13.812 9.979 1.00 0.00 H new ATOM 0 HB3 LYS A 2 15.027 12.702 9.096 1.00 0.00 H new ATOM 0 HG2 LYS A 2 17.408 11.955 8.025 1.00 0.00 H new ATOM 0 HG3 LYS A 2 18.006 12.579 9.549 1.00 0.00 H new ATOM 0 HD2 LYS A 2 17.285 10.707 10.629 1.00 0.00 H new ATOM 0 HD3 LYS A 2 15.639 11.022 10.118 1.00 0.00 H new ATOM 0 HE2 LYS A 2 15.846 9.103 8.876 1.00 0.00 H new ATOM 0 HE3 LYS A 2 16.766 10.089 7.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 18.009 8.118 8.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 18.801 9.514 8.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 17.910 8.559 10.049 1.00 0.00 H new ATOM 42 N LYS A 3 15.196 12.142 6.692 1.00 0.00 N ATOM 43 CA LYS A 3 14.507 11.457 5.563 1.00 0.00 C ATOM 44 C LYS A 3 13.946 10.115 6.039 1.00 0.00 C ATOM 45 O LYS A 3 14.676 9.246 6.473 1.00 0.00 O ATOM 46 CB LYS A 3 15.512 11.217 4.432 1.00 0.00 C ATOM 47 CG LYS A 3 14.778 11.184 3.091 1.00 0.00 C ATOM 48 CD LYS A 3 15.723 11.655 1.984 1.00 0.00 C ATOM 49 CE LYS A 3 16.091 13.122 2.215 1.00 0.00 C ATOM 50 NZ LYS A 3 15.549 13.952 1.104 1.00 0.00 N ATOM 0 H LYS A 3 15.495 11.533 7.454 1.00 0.00 H new ATOM 0 HA LYS A 3 13.689 12.081 5.203 1.00 0.00 H new ATOM 0 HB2 LYS A 3 16.264 12.006 4.427 1.00 0.00 H new ATOM 0 HB3 LYS A 3 16.038 10.276 4.593 1.00 0.00 H new ATOM 0 HG2 LYS A 3 14.428 10.174 2.880 1.00 0.00 H new ATOM 0 HG3 LYS A 3 13.897 11.825 3.130 1.00 0.00 H new ATOM 0 HD2 LYS A 3 16.623 11.041 1.974 1.00 0.00 H new ATOM 0 HD3 LYS A 3 15.247 11.538 1.011 1.00 0.00 H new ATOM 0 HE2 LYS A 3 15.687 13.463 3.168 1.00 0.00 H new ATOM 0 HE3 LYS A 3 17.174 13.232 2.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 15.799 14.949 1.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 15.955 13.632 0.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 14.514 13.856 1.072 1.00 0.00 H new ATOM 64 N LEU A 4 12.655 9.938 5.958 1.00 0.00 N ATOM 65 CA LEU A 4 12.048 8.651 6.401 1.00 0.00 C ATOM 66 C LEU A 4 11.331 8.000 5.217 1.00 0.00 C ATOM 67 O LEU A 4 10.667 8.661 4.444 1.00 0.00 O ATOM 68 CB LEU A 4 11.044 8.914 7.527 1.00 0.00 C ATOM 69 CG LEU A 4 10.059 9.997 7.093 1.00 0.00 C ATOM 70 CD1 LEU A 4 8.638 9.431 7.095 1.00 0.00 C ATOM 71 CD2 LEU A 4 10.136 11.177 8.064 1.00 0.00 C ATOM 0 H LEU A 4 11.994 10.630 5.604 1.00 0.00 H new ATOM 0 HA LEU A 4 12.830 7.986 6.767 1.00 0.00 H new ATOM 0 HB2 LEU A 4 10.508 7.997 7.771 1.00 0.00 H new ATOM 0 HB3 LEU A 4 11.569 9.226 8.430 1.00 0.00 H new ATOM 0 HG LEU A 4 10.314 10.333 6.088 1.00 0.00 H new ATOM 0 HD11 LEU A 4 7.937 10.206 6.785 1.00 0.00 H new ATOM 0 HD12 LEU A 4 8.580 8.591 6.403 1.00 0.00 H new ATOM 0 HD13 LEU A 4 8.383 9.092 8.099 1.00 0.00 H new ATOM 0 HD21 LEU A 4 9.433 11.950 7.754 1.00 0.00 H new ATOM 0 HD22 LEU A 4 9.883 10.838 9.069 1.00 0.00 H new ATOM 0 HD23 LEU A 4 11.147 11.584 8.062 1.00 0.00 H new ATOM 83 N GLN A 5 11.463 6.712 5.064 1.00 0.00 N ATOM 84 CA GLN A 5 10.792 6.026 3.925 1.00 0.00 C ATOM 85 C GLN A 5 10.078 4.769 4.427 1.00 0.00 C ATOM 86 O GLN A 5 10.517 4.119 5.355 1.00 0.00 O ATOM 87 CB GLN A 5 11.838 5.630 2.880 1.00 0.00 C ATOM 88 CG GLN A 5 12.687 6.849 2.518 1.00 0.00 C ATOM 89 CD GLN A 5 14.048 6.750 3.208 1.00 0.00 C ATOM 90 OE1 GLN A 5 14.415 7.612 3.982 1.00 0.00 O ATOM 91 NE2 GLN A 5 14.820 5.726 2.960 1.00 0.00 N ATOM 0 H GLN A 5 12.006 6.105 5.678 1.00 0.00 H new ATOM 0 HA GLN A 5 10.064 6.702 3.477 1.00 0.00 H new ATOM 0 HB2 GLN A 5 12.473 4.834 3.270 1.00 0.00 H new ATOM 0 HB3 GLN A 5 11.347 5.238 1.989 1.00 0.00 H new ATOM 0 HG2 GLN A 5 12.819 6.905 1.437 1.00 0.00 H new ATOM 0 HG3 GLN A 5 12.178 7.763 2.825 1.00 0.00 H new ATOM 0 HE21 GLN A 5 14.513 5.002 2.311 1.00 0.00 H new ATOM 0 HE22 GLN A 5 15.729 5.651 3.416 1.00 0.00 H new ATOM 100 N ILE A 6 8.978 4.423 3.817 1.00 0.00 N ATOM 101 CA ILE A 6 8.230 3.213 4.246 1.00 0.00 C ATOM 102 C ILE A 6 8.108 2.256 3.054 1.00 0.00 C ATOM 103 O ILE A 6 8.398 2.614 1.929 1.00 0.00 O ATOM 104 CB ILE A 6 6.840 3.639 4.739 1.00 0.00 C ATOM 105 CG1 ILE A 6 6.938 4.095 6.197 1.00 0.00 C ATOM 106 CG2 ILE A 6 5.862 2.468 4.643 1.00 0.00 C ATOM 107 CD1 ILE A 6 5.531 4.295 6.764 1.00 0.00 C ATOM 0 H ILE A 6 8.565 4.931 3.035 1.00 0.00 H new ATOM 0 HA ILE A 6 8.753 2.705 5.056 1.00 0.00 H new ATOM 0 HB ILE A 6 6.478 4.457 4.116 1.00 0.00 H new ATOM 0 HG12 ILE A 6 7.477 3.353 6.786 1.00 0.00 H new ATOM 0 HG13 ILE A 6 7.503 5.025 6.261 1.00 0.00 H new ATOM 0 HG21 ILE A 6 4.880 2.784 4.996 1.00 0.00 H new ATOM 0 HG22 ILE A 6 5.787 2.141 3.606 1.00 0.00 H new ATOM 0 HG23 ILE A 6 6.221 1.643 5.259 1.00 0.00 H new ATOM 0 HD11 ILE A 6 5.600 4.620 7.802 1.00 0.00 H new ATOM 0 HD12 ILE A 6 5.008 5.053 6.181 1.00 0.00 H new ATOM 0 HD13 ILE A 6 4.981 3.355 6.714 1.00 0.00 H new ATOM 119 N ALA A 7 7.684 1.044 3.288 1.00 0.00 N ATOM 120 CA ALA A 7 7.549 0.076 2.163 1.00 0.00 C ATOM 121 C ALA A 7 6.222 -0.675 2.288 1.00 0.00 C ATOM 122 O ALA A 7 6.107 -1.635 3.023 1.00 0.00 O ATOM 123 CB ALA A 7 8.707 -0.924 2.206 1.00 0.00 C ATOM 0 H ALA A 7 7.426 0.683 4.207 1.00 0.00 H new ATOM 0 HA ALA A 7 7.571 0.617 1.217 1.00 0.00 H new ATOM 0 HB1 ALA A 7 8.607 -1.632 1.383 1.00 0.00 H new ATOM 0 HB2 ALA A 7 9.653 -0.390 2.113 1.00 0.00 H new ATOM 0 HB3 ALA A 7 8.687 -1.464 3.153 1.00 0.00 H new ATOM 129 N VAL A 8 5.222 -0.248 1.565 1.00 0.00 N ATOM 130 CA VAL A 8 3.902 -0.940 1.631 1.00 0.00 C ATOM 131 C VAL A 8 3.685 -1.734 0.354 1.00 0.00 C ATOM 132 O VAL A 8 4.315 -1.497 -0.657 1.00 0.00 O ATOM 133 CB VAL A 8 2.776 0.086 1.760 1.00 0.00 C ATOM 134 CG1 VAL A 8 2.848 1.080 0.599 1.00 0.00 C ATOM 135 CG2 VAL A 8 1.431 -0.645 1.708 1.00 0.00 C ATOM 0 H VAL A 8 5.262 0.550 0.931 1.00 0.00 H new ATOM 0 HA VAL A 8 3.896 -1.602 2.497 1.00 0.00 H new ATOM 0 HB VAL A 8 2.878 0.622 2.703 1.00 0.00 H new ATOM 0 HG11 VAL A 8 2.044 1.810 0.694 1.00 0.00 H new ATOM 0 HG12 VAL A 8 3.809 1.594 0.619 1.00 0.00 H new ATOM 0 HG13 VAL A 8 2.743 0.545 -0.345 1.00 0.00 H new ATOM 0 HG21 VAL A 8 0.620 0.078 1.799 1.00 0.00 H new ATOM 0 HG22 VAL A 8 1.341 -1.174 0.759 1.00 0.00 H new ATOM 0 HG23 VAL A 8 1.374 -1.360 2.529 1.00 0.00 H new ATOM 145 N GLY A 9 2.782 -2.664 0.392 1.00 0.00 N ATOM 146 CA GLY A 9 2.498 -3.468 -0.818 1.00 0.00 C ATOM 147 C GLY A 9 0.994 -3.713 -0.895 1.00 0.00 C ATOM 148 O GLY A 9 0.403 -4.285 0.000 1.00 0.00 O ATOM 0 H GLY A 9 2.226 -2.903 1.213 1.00 0.00 H new ATOM 0 HA2 GLY A 9 2.843 -2.945 -1.710 1.00 0.00 H new ATOM 0 HA3 GLY A 9 3.035 -4.416 -0.777 1.00 0.00 H new ATOM 152 N ILE A 10 0.369 -3.292 -1.955 1.00 0.00 N ATOM 153 CA ILE A 10 -1.087 -3.505 -2.082 1.00 0.00 C ATOM 154 C ILE A 10 -1.305 -4.791 -2.866 1.00 0.00 C ATOM 155 O ILE A 10 -0.439 -5.226 -3.598 1.00 0.00 O ATOM 156 CB ILE A 10 -1.729 -2.338 -2.830 1.00 0.00 C ATOM 157 CG1 ILE A 10 -0.927 -1.043 -2.630 1.00 0.00 C ATOM 158 CG2 ILE A 10 -3.145 -2.133 -2.310 1.00 0.00 C ATOM 159 CD1 ILE A 10 -1.269 -0.078 -3.764 1.00 0.00 C ATOM 0 H ILE A 10 0.809 -2.809 -2.738 1.00 0.00 H new ATOM 0 HA ILE A 10 -1.541 -3.573 -1.094 1.00 0.00 H new ATOM 0 HB ILE A 10 -1.742 -2.574 -3.894 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -1.167 -0.594 -1.666 1.00 0.00 H new ATOM 0 HG13 ILE A 10 0.142 -1.257 -2.625 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -3.610 -1.301 -2.839 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -3.728 -3.039 -2.475 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -3.112 -1.911 -1.243 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -0.707 0.847 -3.636 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -1.008 -0.532 -4.720 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -2.337 0.141 -3.746 1.00 0.00 H new ATOM 171 N ILE A 11 -2.432 -5.423 -2.717 1.00 0.00 N ATOM 172 CA ILE A 11 -2.637 -6.693 -3.463 1.00 0.00 C ATOM 173 C ILE A 11 -4.078 -6.831 -3.935 1.00 0.00 C ATOM 174 O ILE A 11 -5.016 -6.782 -3.172 1.00 0.00 O ATOM 175 CB ILE A 11 -2.248 -7.861 -2.563 1.00 0.00 C ATOM 176 CG1 ILE A 11 -1.017 -7.441 -1.771 1.00 0.00 C ATOM 177 CG2 ILE A 11 -1.923 -9.096 -3.405 1.00 0.00 C ATOM 178 CD1 ILE A 11 -0.352 -8.658 -1.125 1.00 0.00 C ATOM 0 H ILE A 11 -3.206 -5.124 -2.124 1.00 0.00 H new ATOM 0 HA ILE A 11 -2.007 -6.690 -4.353 1.00 0.00 H new ATOM 0 HB ILE A 11 -3.072 -8.113 -1.895 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -0.308 -6.939 -2.429 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -1.300 -6.723 -1.001 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -1.647 -9.921 -2.749 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -2.797 -9.376 -3.993 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -1.093 -8.872 -4.075 1.00 0.00 H new ATOM 0 HD11 ILE A 11 0.526 -8.338 -0.564 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -1.058 -9.143 -0.450 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -0.050 -9.362 -1.900 1.00 0.00 H new ATOM 190 N ARG A 12 -4.233 -7.010 -5.207 1.00 0.00 N ATOM 191 CA ARG A 12 -5.595 -7.162 -5.803 1.00 0.00 C ATOM 192 C ARG A 12 -5.677 -8.501 -6.541 1.00 0.00 C ATOM 193 O ARG A 12 -4.762 -8.888 -7.241 1.00 0.00 O ATOM 194 CB ARG A 12 -5.847 -6.012 -6.782 1.00 0.00 C ATOM 195 CG ARG A 12 -7.087 -6.313 -7.630 1.00 0.00 C ATOM 196 CD ARG A 12 -8.141 -5.232 -7.389 1.00 0.00 C ATOM 197 NE ARG A 12 -7.940 -4.117 -8.357 1.00 0.00 N ATOM 198 CZ ARG A 12 -8.879 -3.229 -8.532 1.00 0.00 C ATOM 199 NH1 ARG A 12 -9.568 -2.798 -7.511 1.00 0.00 N ATOM 200 NH2 ARG A 12 -9.128 -2.771 -9.728 1.00 0.00 N ATOM 0 H ARG A 12 -3.466 -7.060 -5.878 1.00 0.00 H new ATOM 0 HA ARG A 12 -6.349 -7.138 -5.017 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -5.988 -5.080 -6.234 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -4.979 -5.875 -7.427 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -6.820 -6.347 -8.686 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -7.489 -7.293 -7.372 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -9.140 -5.652 -7.504 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -8.067 -4.859 -6.368 1.00 0.00 H new ATOM 0 HE ARG A 12 -7.068 -4.048 -8.882 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -9.372 -3.156 -6.576 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -10.302 -2.103 -7.648 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -8.588 -3.107 -10.526 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -9.862 -2.077 -9.866 1.00 0.00 H new ATOM 214 N ASN A 13 -6.753 -9.220 -6.377 1.00 0.00 N ATOM 215 CA ASN A 13 -6.872 -10.543 -7.056 1.00 0.00 C ATOM 216 C ASN A 13 -7.904 -10.468 -8.178 1.00 0.00 C ATOM 217 O ASN A 13 -8.369 -9.409 -8.548 1.00 0.00 O ATOM 218 CB ASN A 13 -7.320 -11.601 -6.045 1.00 0.00 C ATOM 219 CG ASN A 13 -8.546 -11.091 -5.284 1.00 0.00 C ATOM 220 OD1 ASN A 13 -9.171 -10.131 -5.689 1.00 0.00 O ATOM 221 ND2 ASN A 13 -8.922 -11.697 -4.191 1.00 0.00 N ATOM 0 H ASN A 13 -7.553 -8.951 -5.804 1.00 0.00 H new ATOM 0 HA ASN A 13 -5.901 -10.810 -7.472 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -7.559 -12.532 -6.559 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -6.511 -11.820 -5.348 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -9.739 -11.365 -3.679 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -8.399 -12.503 -3.849 1.00 0.00 H new ATOM 228 N GLU A 14 -8.266 -11.600 -8.715 1.00 0.00 N ATOM 229 CA GLU A 14 -9.274 -11.622 -9.812 1.00 0.00 C ATOM 230 C GLU A 14 -10.679 -11.530 -9.211 1.00 0.00 C ATOM 231 O GLU A 14 -11.667 -11.527 -9.918 1.00 0.00 O ATOM 232 CB GLU A 14 -9.138 -12.927 -10.602 1.00 0.00 C ATOM 233 CG GLU A 14 -7.655 -13.229 -10.834 1.00 0.00 C ATOM 234 CD GLU A 14 -7.453 -13.745 -12.260 1.00 0.00 C ATOM 235 OE1 GLU A 14 -7.995 -14.792 -12.574 1.00 0.00 O ATOM 236 OE2 GLU A 14 -6.758 -13.084 -13.015 1.00 0.00 O ATOM 0 H GLU A 14 -7.906 -12.514 -8.440 1.00 0.00 H new ATOM 0 HA GLU A 14 -9.108 -10.776 -10.479 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -9.606 -13.746 -10.056 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -9.657 -12.843 -11.557 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -7.061 -12.329 -10.675 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -7.308 -13.971 -10.115 1.00 0.00 H new ATOM 243 N ASN A 15 -10.775 -11.447 -7.911 1.00 0.00 N ATOM 244 CA ASN A 15 -12.112 -11.346 -7.264 1.00 0.00 C ATOM 245 C ASN A 15 -12.501 -9.872 -7.149 1.00 0.00 C ATOM 246 O ASN A 15 -13.435 -9.517 -6.457 1.00 0.00 O ATOM 247 CB ASN A 15 -12.051 -11.966 -5.867 1.00 0.00 C ATOM 248 CG ASN A 15 -13.458 -12.028 -5.271 1.00 0.00 C ATOM 249 OD1 ASN A 15 -13.648 -11.755 -4.103 1.00 0.00 O ATOM 250 ND2 ASN A 15 -14.463 -12.379 -6.029 1.00 0.00 N ATOM 0 H ASN A 15 -9.982 -11.445 -7.269 1.00 0.00 H new ATOM 0 HA ASN A 15 -12.851 -11.877 -7.863 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -11.624 -12.967 -5.921 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -11.399 -11.375 -5.224 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -15.405 -12.423 -5.639 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -14.306 -12.609 -7.010 1.00 0.00 H new ATOM 257 N ASN A 16 -11.790 -9.013 -7.826 1.00 0.00 N ATOM 258 CA ASN A 16 -12.111 -7.565 -7.763 1.00 0.00 C ATOM 259 C ASN A 16 -12.056 -7.098 -6.301 1.00 0.00 C ATOM 260 O ASN A 16 -12.908 -6.372 -5.829 1.00 0.00 O ATOM 261 CB ASN A 16 -13.509 -7.351 -8.347 1.00 0.00 C ATOM 262 CG ASN A 16 -13.987 -5.926 -8.067 1.00 0.00 C ATOM 263 OD1 ASN A 16 -13.345 -4.968 -8.453 1.00 0.00 O ATOM 264 ND2 ASN A 16 -15.097 -5.743 -7.407 1.00 0.00 N ATOM 0 H ASN A 16 -10.998 -9.255 -8.421 1.00 0.00 H new ATOM 0 HA ASN A 16 -11.389 -6.985 -8.339 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -13.494 -7.532 -9.422 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -14.206 -8.068 -7.913 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -15.426 -4.797 -7.215 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -15.636 -6.546 -7.083 1.00 0.00 H new ATOM 271 N GLU A 17 -11.050 -7.513 -5.581 1.00 0.00 N ATOM 272 CA GLU A 17 -10.926 -7.096 -4.155 1.00 0.00 C ATOM 273 C GLU A 17 -9.447 -6.879 -3.825 1.00 0.00 C ATOM 274 O GLU A 17 -8.581 -7.521 -4.387 1.00 0.00 O ATOM 275 CB GLU A 17 -11.497 -8.191 -3.251 1.00 0.00 C ATOM 276 CG GLU A 17 -12.837 -8.673 -3.813 1.00 0.00 C ATOM 277 CD GLU A 17 -13.797 -8.978 -2.663 1.00 0.00 C ATOM 278 OE1 GLU A 17 -14.209 -8.043 -1.996 1.00 0.00 O ATOM 279 OE2 GLU A 17 -14.106 -10.143 -2.468 1.00 0.00 O ATOM 0 H GLU A 17 -10.307 -8.124 -5.919 1.00 0.00 H new ATOM 0 HA GLU A 17 -11.479 -6.171 -3.992 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -10.797 -9.024 -3.186 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -11.632 -7.808 -2.239 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -13.265 -7.911 -4.464 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -12.688 -9.565 -4.421 1.00 0.00 H new ATOM 286 N ILE A 18 -9.145 -5.982 -2.926 1.00 0.00 N ATOM 287 CA ILE A 18 -7.713 -5.738 -2.581 1.00 0.00 C ATOM 288 C ILE A 18 -7.522 -5.822 -1.067 1.00 0.00 C ATOM 289 O ILE A 18 -8.407 -5.521 -0.297 1.00 0.00 O ATOM 290 CB ILE A 18 -7.285 -4.344 -3.049 1.00 0.00 C ATOM 291 CG1 ILE A 18 -8.123 -3.903 -4.254 1.00 0.00 C ATOM 292 CG2 ILE A 18 -5.809 -4.371 -3.451 1.00 0.00 C ATOM 293 CD1 ILE A 18 -9.040 -2.746 -3.850 1.00 0.00 C ATOM 0 H ILE A 18 -9.821 -5.411 -2.418 1.00 0.00 H new ATOM 0 HA ILE A 18 -7.106 -6.495 -3.078 1.00 0.00 H new ATOM 0 HB ILE A 18 -7.437 -3.640 -2.231 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -7.470 -3.594 -5.070 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -8.717 -4.740 -4.621 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -5.504 -3.379 -3.784 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -5.204 -4.668 -2.594 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -5.666 -5.086 -4.261 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -9.634 -2.435 -4.709 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -9.704 -3.070 -3.048 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -8.436 -1.907 -3.504 1.00 0.00 H new ATOM 305 N PHE A 19 -6.354 -6.204 -0.641 1.00 0.00 N ATOM 306 CA PHE A 19 -6.073 -6.291 0.817 1.00 0.00 C ATOM 307 C PHE A 19 -5.627 -4.910 1.293 1.00 0.00 C ATOM 308 O PHE A 19 -4.486 -4.699 1.653 1.00 0.00 O ATOM 309 CB PHE A 19 -4.960 -7.322 1.055 1.00 0.00 C ATOM 310 CG PHE A 19 -4.334 -7.114 2.416 1.00 0.00 C ATOM 311 CD1 PHE A 19 -5.063 -7.387 3.579 1.00 0.00 C ATOM 312 CD2 PHE A 19 -3.017 -6.643 2.510 1.00 0.00 C ATOM 313 CE1 PHE A 19 -4.475 -7.190 4.835 1.00 0.00 C ATOM 314 CE2 PHE A 19 -2.431 -6.446 3.764 1.00 0.00 C ATOM 315 CZ PHE A 19 -3.159 -6.719 4.927 1.00 0.00 C ATOM 0 H PHE A 19 -5.574 -6.462 -1.246 1.00 0.00 H new ATOM 0 HA PHE A 19 -6.960 -6.603 1.368 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -5.368 -8.330 0.985 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -4.199 -7.232 0.280 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -6.078 -7.749 3.508 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -2.454 -6.432 1.613 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -5.037 -7.401 5.733 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -1.416 -6.083 3.835 1.00 0.00 H new ATOM 0 HZ PHE A 19 -2.706 -6.567 5.896 1.00 0.00 H new ATOM 325 N ILE A 20 -6.511 -3.955 1.266 1.00 0.00 N ATOM 326 CA ILE A 20 -6.126 -2.594 1.685 1.00 0.00 C ATOM 327 C ILE A 20 -6.219 -2.461 3.201 1.00 0.00 C ATOM 328 O ILE A 20 -6.161 -3.423 3.936 1.00 0.00 O ATOM 329 CB ILE A 20 -7.072 -1.580 1.002 1.00 0.00 C ATOM 330 CG1 ILE A 20 -6.385 -0.223 0.761 1.00 0.00 C ATOM 331 CG2 ILE A 20 -8.324 -1.352 1.856 1.00 0.00 C ATOM 332 CD1 ILE A 20 -4.924 -0.233 1.225 1.00 0.00 C ATOM 0 H ILE A 20 -7.481 -4.064 0.971 1.00 0.00 H new ATOM 0 HA ILE A 20 -5.096 -2.396 1.389 1.00 0.00 H new ATOM 0 HB ILE A 20 -7.348 -2.008 0.038 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -6.427 0.022 -0.300 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -6.929 0.559 1.291 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -8.978 -0.635 1.359 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -8.853 -2.296 1.986 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -8.033 -0.962 2.831 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -4.476 0.743 1.037 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -4.883 -0.452 2.292 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -4.373 -0.997 0.676 1.00 0.00 H new ATOM 344 N THR A 21 -6.385 -1.260 3.656 1.00 0.00 N ATOM 345 CA THR A 21 -6.517 -1.011 5.113 1.00 0.00 C ATOM 346 C THR A 21 -7.721 -0.097 5.320 1.00 0.00 C ATOM 347 O THR A 21 -7.975 0.778 4.521 1.00 0.00 O ATOM 348 CB THR A 21 -5.251 -0.346 5.641 1.00 0.00 C ATOM 349 OG1 THR A 21 -4.349 -0.123 4.565 1.00 0.00 O ATOM 350 CG2 THR A 21 -4.594 -1.252 6.683 1.00 0.00 C ATOM 0 H THR A 21 -6.436 -0.425 3.073 1.00 0.00 H new ATOM 0 HA THR A 21 -6.658 -1.948 5.653 1.00 0.00 H new ATOM 0 HB THR A 21 -5.507 0.608 6.102 1.00 0.00 H new ATOM 0 HG1 THR A 21 -3.443 -0.001 4.918 1.00 0.00 H new ATOM 0 HG21 THR A 21 -3.689 -0.776 7.060 1.00 0.00 H new ATOM 0 HG22 THR A 21 -5.287 -1.420 7.508 1.00 0.00 H new ATOM 0 HG23 THR A 21 -4.338 -2.207 6.225 1.00 0.00 H new ATOM 358 N ARG A 22 -8.485 -0.303 6.358 1.00 0.00 N ATOM 359 CA ARG A 22 -9.691 0.545 6.560 1.00 0.00 C ATOM 360 C ARG A 22 -9.618 1.277 7.901 1.00 0.00 C ATOM 361 O ARG A 22 -8.567 1.423 8.490 1.00 0.00 O ATOM 362 CB ARG A 22 -10.921 -0.359 6.530 1.00 0.00 C ATOM 363 CG ARG A 22 -11.731 -0.095 5.259 1.00 0.00 C ATOM 364 CD ARG A 22 -12.906 0.831 5.576 1.00 0.00 C ATOM 365 NE ARG A 22 -14.165 0.250 5.025 1.00 0.00 N ATOM 366 CZ ARG A 22 -14.147 -0.393 3.887 1.00 0.00 C ATOM 367 NH1 ARG A 22 -14.025 0.266 2.767 1.00 0.00 N ATOM 368 NH2 ARG A 22 -14.248 -1.694 3.871 1.00 0.00 N ATOM 0 H ARG A 22 -8.327 -1.017 7.069 1.00 0.00 H new ATOM 0 HA ARG A 22 -9.749 1.294 5.770 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -10.615 -1.405 6.566 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -11.538 -0.177 7.410 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -11.094 0.358 4.499 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -12.098 -1.036 4.849 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -12.996 0.964 6.654 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -12.731 1.817 5.147 1.00 0.00 H new ATOM 0 HE ARG A 22 -15.041 0.355 5.537 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -13.944 1.283 2.780 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -14.011 -0.236 1.879 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -14.341 -2.209 4.746 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -14.234 -2.196 2.983 1.00 0.00 H new ATOM 382 N ARG A 23 -10.739 1.746 8.378 1.00 0.00 N ATOM 383 CA ARG A 23 -10.767 2.477 9.663 1.00 0.00 C ATOM 384 C ARG A 23 -10.055 1.667 10.746 1.00 0.00 C ATOM 385 O ARG A 23 -10.643 0.820 11.390 1.00 0.00 O ATOM 386 CB ARG A 23 -12.225 2.687 10.054 1.00 0.00 C ATOM 387 CG ARG A 23 -13.020 1.411 9.766 1.00 0.00 C ATOM 388 CD ARG A 23 -13.668 0.913 11.059 1.00 0.00 C ATOM 389 NE ARG A 23 -14.109 -0.502 10.890 1.00 0.00 N ATOM 390 CZ ARG A 23 -14.605 -0.906 9.751 1.00 0.00 C ATOM 391 NH1 ARG A 23 -15.518 -0.197 9.146 1.00 0.00 N ATOM 392 NH2 ARG A 23 -14.188 -2.023 9.220 1.00 0.00 N ATOM 0 H ARG A 23 -11.645 1.649 7.921 1.00 0.00 H new ATOM 0 HA ARG A 23 -10.257 3.435 9.559 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -12.296 2.941 11.112 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -12.645 3.524 9.496 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -13.785 1.608 9.015 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -12.362 0.644 9.357 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -12.959 0.987 11.884 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -14.521 1.541 11.315 1.00 0.00 H new ATOM 0 HE ARG A 23 -14.023 -1.157 11.667 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -15.846 0.675 9.562 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -15.904 -0.514 8.257 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -13.476 -2.579 9.694 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -14.574 -2.340 8.331 1.00 0.00 H new ATOM 406 N ALA A 24 -8.795 1.926 10.957 1.00 0.00 N ATOM 407 CA ALA A 24 -8.045 1.178 12.004 1.00 0.00 C ATOM 408 C ALA A 24 -7.713 2.124 13.161 1.00 0.00 C ATOM 409 O ALA A 24 -6.720 2.824 13.137 1.00 0.00 O ATOM 410 CB ALA A 24 -6.751 0.623 11.406 1.00 0.00 C ATOM 0 H ALA A 24 -8.252 2.624 10.449 1.00 0.00 H new ATOM 0 HA ALA A 24 -8.654 0.353 12.372 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -6.202 0.075 12.172 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -6.990 -0.048 10.581 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -6.138 1.446 11.038 1.00 0.00 H new ATOM 416 N ALA A 25 -8.540 2.149 14.173 1.00 0.00 N ATOM 417 CA ALA A 25 -8.283 3.046 15.337 1.00 0.00 C ATOM 418 C ALA A 25 -8.712 4.474 14.988 1.00 0.00 C ATOM 419 O ALA A 25 -8.733 4.863 13.837 1.00 0.00 O ATOM 420 CB ALA A 25 -6.793 3.025 15.685 1.00 0.00 C ATOM 0 H ALA A 25 -9.386 1.584 14.243 1.00 0.00 H new ATOM 0 HA ALA A 25 -8.856 2.697 16.196 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -6.609 3.681 16.536 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -6.493 2.008 15.939 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -6.214 3.370 14.828 1.00 0.00 H new ATOM 426 N ASP A 26 -9.059 5.254 15.974 1.00 0.00 N ATOM 427 CA ASP A 26 -9.492 6.654 15.706 1.00 0.00 C ATOM 428 C ASP A 26 -10.559 6.654 14.602 1.00 0.00 C ATOM 429 O ASP A 26 -11.690 6.271 14.831 1.00 0.00 O ATOM 430 CB ASP A 26 -8.284 7.490 15.278 1.00 0.00 C ATOM 431 CG ASP A 26 -7.427 7.807 16.504 1.00 0.00 C ATOM 432 OD1 ASP A 26 -7.915 8.505 17.377 1.00 0.00 O ATOM 433 OD2 ASP A 26 -6.298 7.347 16.549 1.00 0.00 O ATOM 0 H ASP A 26 -9.061 4.981 16.957 1.00 0.00 H new ATOM 0 HA ASP A 26 -9.917 7.089 16.611 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -7.695 6.947 14.539 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -8.616 8.414 14.804 1.00 0.00 H new ATOM 438 N ALA A 27 -10.218 7.075 13.409 1.00 0.00 N ATOM 439 CA ALA A 27 -11.224 7.090 12.307 1.00 0.00 C ATOM 440 C ALA A 27 -12.562 7.612 12.840 1.00 0.00 C ATOM 441 O ALA A 27 -13.412 6.850 13.253 1.00 0.00 O ATOM 442 CB ALA A 27 -11.408 5.670 11.770 1.00 0.00 C ATOM 0 H ALA A 27 -9.288 7.408 13.153 1.00 0.00 H new ATOM 0 HA ALA A 27 -10.876 7.742 11.506 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -12.143 5.678 10.965 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -10.456 5.299 11.390 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -11.756 5.020 12.572 1.00 0.00 H new ATOM 448 N HIS A 28 -12.753 8.902 12.838 1.00 0.00 N ATOM 449 CA HIS A 28 -14.036 9.464 13.351 1.00 0.00 C ATOM 450 C HIS A 28 -15.089 9.447 12.242 1.00 0.00 C ATOM 451 O HIS A 28 -15.885 8.535 12.142 1.00 0.00 O ATOM 452 CB HIS A 28 -13.816 10.905 13.818 1.00 0.00 C ATOM 453 CG HIS A 28 -12.876 10.918 14.993 1.00 0.00 C ATOM 454 ND1 HIS A 28 -12.060 12.002 15.272 1.00 0.00 N ATOM 455 CD2 HIS A 28 -12.614 9.989 15.970 1.00 0.00 C ATOM 456 CE1 HIS A 28 -11.351 11.703 16.376 1.00 0.00 C ATOM 457 NE2 HIS A 28 -11.650 10.487 16.843 1.00 0.00 N ATOM 0 H HIS A 28 -12.079 9.591 12.504 1.00 0.00 H new ATOM 0 HA HIS A 28 -14.382 8.857 14.188 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -13.405 11.503 13.004 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -14.768 11.357 14.096 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -13.084 9.020 16.049 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -10.628 12.365 16.829 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -11.257 10.024 17.662 1.00 0.00 H new ATOM 465 N MET A 29 -15.103 10.454 11.412 1.00 0.00 N ATOM 466 CA MET A 29 -16.109 10.502 10.314 1.00 0.00 C ATOM 467 C MET A 29 -15.421 10.227 8.977 1.00 0.00 C ATOM 468 O MET A 29 -14.222 10.042 8.909 1.00 0.00 O ATOM 469 CB MET A 29 -16.755 11.889 10.278 1.00 0.00 C ATOM 470 CG MET A 29 -18.266 11.743 10.090 1.00 0.00 C ATOM 471 SD MET A 29 -19.014 13.381 9.898 1.00 0.00 S ATOM 472 CE MET A 29 -20.302 12.903 8.720 1.00 0.00 C ATOM 0 H MET A 29 -14.461 11.246 11.447 1.00 0.00 H new ATOM 0 HA MET A 29 -16.875 9.746 10.490 1.00 0.00 H new ATOM 0 HB2 MET A 29 -16.543 12.425 11.203 1.00 0.00 H new ATOM 0 HB3 MET A 29 -16.332 12.478 9.464 1.00 0.00 H new ATOM 0 HG2 MET A 29 -18.476 11.131 9.213 1.00 0.00 H new ATOM 0 HG3 MET A 29 -18.702 11.231 10.948 1.00 0.00 H new ATOM 0 HE1 MET A 29 -20.897 13.777 8.457 1.00 0.00 H new ATOM 0 HE2 MET A 29 -19.840 12.495 7.821 1.00 0.00 H new ATOM 0 HE3 MET A 29 -20.946 12.148 9.171 1.00 0.00 H new ATOM 482 N ALA A 30 -16.171 10.198 7.911 1.00 0.00 N ATOM 483 CA ALA A 30 -15.563 9.936 6.578 1.00 0.00 C ATOM 484 C ALA A 30 -14.647 8.714 6.663 1.00 0.00 C ATOM 485 O ALA A 30 -13.480 8.820 6.982 1.00 0.00 O ATOM 486 CB ALA A 30 -14.748 11.157 6.144 1.00 0.00 C ATOM 0 H ALA A 30 -17.180 10.345 7.906 1.00 0.00 H new ATOM 0 HA ALA A 30 -16.351 9.745 5.850 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -14.301 10.968 5.168 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -15.401 12.027 6.082 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -13.960 11.346 6.873 1.00 0.00 H new ATOM 492 N ASN A 31 -15.167 7.550 6.374 1.00 0.00 N ATOM 493 CA ASN A 31 -14.327 6.320 6.433 1.00 0.00 C ATOM 494 C ASN A 31 -12.969 6.603 5.786 1.00 0.00 C ATOM 495 O ASN A 31 -12.876 6.843 4.599 1.00 0.00 O ATOM 496 CB ASN A 31 -15.026 5.189 5.676 1.00 0.00 C ATOM 497 CG ASN A 31 -16.366 4.876 6.345 1.00 0.00 C ATOM 498 OD1 ASN A 31 -16.427 4.669 7.540 1.00 0.00 O ATOM 499 ND2 ASN A 31 -17.450 4.831 5.619 1.00 0.00 N ATOM 0 H ASN A 31 -16.138 7.399 6.100 1.00 0.00 H new ATOM 0 HA ASN A 31 -14.182 6.026 7.473 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -15.185 5.477 4.637 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -14.396 4.300 5.667 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -18.348 4.622 6.056 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -17.399 5.005 4.615 1.00 0.00 H new ATOM 506 N LYS A 32 -11.916 6.584 6.558 1.00 0.00 N ATOM 507 CA LYS A 32 -10.569 6.859 5.983 1.00 0.00 C ATOM 508 C LYS A 32 -9.820 5.543 5.762 1.00 0.00 C ATOM 509 O LYS A 32 -9.892 4.632 6.562 1.00 0.00 O ATOM 510 CB LYS A 32 -9.775 7.742 6.949 1.00 0.00 C ATOM 511 CG LYS A 32 -9.450 6.951 8.218 1.00 0.00 C ATOM 512 CD LYS A 32 -7.951 6.656 8.263 1.00 0.00 C ATOM 513 CE LYS A 32 -7.653 5.698 9.418 1.00 0.00 C ATOM 514 NZ LYS A 32 -6.397 4.950 9.129 1.00 0.00 N ATOM 0 H LYS A 32 -11.931 6.390 7.559 1.00 0.00 H new ATOM 0 HA LYS A 32 -10.683 7.371 5.028 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -8.854 8.082 6.474 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -10.351 8.632 7.201 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -9.747 7.519 9.100 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -10.016 6.019 8.234 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -7.628 6.216 7.319 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -7.391 7.582 8.391 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -7.552 6.255 10.350 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -8.481 5.002 9.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -6.193 4.298 9.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -6.511 4.408 8.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -5.610 5.621 9.023 1.00 0.00 H new ATOM 528 N LEU A 33 -9.103 5.441 4.677 1.00 0.00 N ATOM 529 CA LEU A 33 -8.345 4.205 4.384 1.00 0.00 C ATOM 530 C LEU A 33 -6.867 4.446 4.679 1.00 0.00 C ATOM 531 O LEU A 33 -6.490 5.472 5.207 1.00 0.00 O ATOM 532 CB LEU A 33 -8.521 3.873 2.904 1.00 0.00 C ATOM 533 CG LEU A 33 -9.925 3.308 2.623 1.00 0.00 C ATOM 534 CD1 LEU A 33 -9.878 2.441 1.369 1.00 0.00 C ATOM 535 CD2 LEU A 33 -10.411 2.444 3.786 1.00 0.00 C ATOM 0 H LEU A 33 -9.013 6.175 3.975 1.00 0.00 H new ATOM 0 HA LEU A 33 -8.707 3.380 4.998 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -8.361 4.770 2.306 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.767 3.148 2.599 1.00 0.00 H new ATOM 0 HG LEU A 33 -10.608 4.147 2.490 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -10.871 2.039 1.167 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -9.551 3.044 0.522 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -9.178 1.619 1.521 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -11.405 2.058 3.562 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -9.723 1.612 3.933 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -10.452 3.046 4.694 1.00 0.00 H new ATOM 547 N GLU A 34 -6.026 3.511 4.341 1.00 0.00 N ATOM 548 CA GLU A 34 -4.578 3.693 4.600 1.00 0.00 C ATOM 549 C GLU A 34 -3.777 2.741 3.722 1.00 0.00 C ATOM 550 O GLU A 34 -4.216 2.316 2.673 1.00 0.00 O ATOM 551 CB GLU A 34 -4.273 3.390 6.068 1.00 0.00 C ATOM 552 CG GLU A 34 -3.169 4.323 6.567 1.00 0.00 C ATOM 553 CD GLU A 34 -2.272 3.567 7.550 1.00 0.00 C ATOM 554 OE1 GLU A 34 -2.693 2.525 8.025 1.00 0.00 O ATOM 555 OE2 GLU A 34 -1.178 4.042 7.808 1.00 0.00 O ATOM 0 H GLU A 34 -6.282 2.629 3.897 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.304 4.723 4.373 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -5.172 3.519 6.671 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -3.962 2.351 6.178 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -2.579 4.689 5.727 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -3.606 5.195 7.053 1.00 0.00 H new ATOM 562 N PHE A 35 -2.605 2.409 4.159 1.00 0.00 N ATOM 563 CA PHE A 35 -1.745 1.481 3.376 1.00 0.00 C ATOM 564 C PHE A 35 -0.842 0.702 4.342 1.00 0.00 C ATOM 565 O PHE A 35 -0.302 1.271 5.269 1.00 0.00 O ATOM 566 CB PHE A 35 -0.876 2.289 2.412 1.00 0.00 C ATOM 567 CG PHE A 35 -1.575 2.422 1.082 1.00 0.00 C ATOM 568 CD1 PHE A 35 -2.060 1.284 0.423 1.00 0.00 C ATOM 569 CD2 PHE A 35 -1.734 3.685 0.504 1.00 0.00 C ATOM 570 CE1 PHE A 35 -2.703 1.414 -0.816 1.00 0.00 C ATOM 571 CE2 PHE A 35 -2.377 3.815 -0.731 1.00 0.00 C ATOM 572 CZ PHE A 35 -2.860 2.680 -1.393 1.00 0.00 C ATOM 0 H PHE A 35 -2.197 2.741 5.033 1.00 0.00 H new ATOM 0 HA PHE A 35 -2.368 0.787 2.811 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -0.676 3.276 2.828 1.00 0.00 H new ATOM 0 HB3 PHE A 35 0.088 1.798 2.279 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -1.939 0.308 0.869 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -1.360 4.562 1.012 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -3.077 0.538 -1.325 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -2.501 4.792 -1.174 1.00 0.00 H new ATOM 0 HZ PHE A 35 -3.353 2.781 -2.348 1.00 0.00 H new ATOM 582 N PRO A 36 -0.702 -0.576 4.098 1.00 0.00 N ATOM 583 CA PRO A 36 0.138 -1.440 4.941 1.00 0.00 C ATOM 584 C PRO A 36 1.584 -0.947 4.899 1.00 0.00 C ATOM 585 O PRO A 36 1.851 0.184 4.544 1.00 0.00 O ATOM 586 CB PRO A 36 0.021 -2.837 4.318 1.00 0.00 C ATOM 587 CG PRO A 36 -0.911 -2.723 3.085 1.00 0.00 C ATOM 588 CD PRO A 36 -1.359 -1.258 2.970 1.00 0.00 C ATOM 0 HA PRO A 36 -0.172 -1.439 5.986 1.00 0.00 H new ATOM 0 HB2 PRO A 36 1.002 -3.208 4.023 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -0.384 -3.546 5.040 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -0.388 -3.035 2.181 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -1.774 -3.379 3.197 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -1.057 -0.826 2.016 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -2.444 -1.170 3.031 1.00 0.00 H new ATOM 596 N GLY A 37 2.523 -1.780 5.252 1.00 0.00 N ATOM 597 CA GLY A 37 3.943 -1.337 5.221 1.00 0.00 C ATOM 598 C GLY A 37 4.759 -2.124 6.238 1.00 0.00 C ATOM 599 O GLY A 37 4.238 -2.670 7.190 1.00 0.00 O ATOM 0 H GLY A 37 2.370 -2.741 5.558 1.00 0.00 H new ATOM 0 HA2 GLY A 37 4.355 -1.481 4.222 1.00 0.00 H new ATOM 0 HA3 GLY A 37 4.004 -0.271 5.440 1.00 0.00 H new ATOM 603 N GLY A 38 6.044 -2.174 6.043 1.00 0.00 N ATOM 604 CA GLY A 38 6.924 -2.911 6.991 1.00 0.00 C ATOM 605 C GLY A 38 8.201 -2.099 7.199 1.00 0.00 C ATOM 606 O GLY A 38 9.223 -2.615 7.604 1.00 0.00 O ATOM 0 H GLY A 38 6.528 -1.733 5.261 1.00 0.00 H new ATOM 0 HA2 GLY A 38 6.413 -3.063 7.942 1.00 0.00 H new ATOM 0 HA3 GLY A 38 7.163 -3.898 6.596 1.00 0.00 H new ATOM 610 N LYS A 39 8.145 -0.826 6.917 1.00 0.00 N ATOM 611 CA LYS A 39 9.347 0.035 7.086 1.00 0.00 C ATOM 612 C LYS A 39 10.396 -0.340 6.037 1.00 0.00 C ATOM 613 O LYS A 39 10.384 -1.426 5.493 1.00 0.00 O ATOM 614 CB LYS A 39 9.925 -0.166 8.487 1.00 0.00 C ATOM 615 CG LYS A 39 9.860 1.156 9.253 1.00 0.00 C ATOM 616 CD LYS A 39 8.753 1.085 10.305 1.00 0.00 C ATOM 617 CE LYS A 39 8.530 2.474 10.906 1.00 0.00 C ATOM 618 NZ LYS A 39 7.296 3.079 10.326 1.00 0.00 N ATOM 0 H LYS A 39 7.314 -0.344 6.575 1.00 0.00 H new ATOM 0 HA LYS A 39 9.067 1.081 6.958 1.00 0.00 H new ATOM 0 HB2 LYS A 39 9.364 -0.935 9.018 1.00 0.00 H new ATOM 0 HB3 LYS A 39 10.957 -0.512 8.421 1.00 0.00 H new ATOM 0 HG2 LYS A 39 10.818 1.358 9.732 1.00 0.00 H new ATOM 0 HG3 LYS A 39 9.668 1.978 8.564 1.00 0.00 H new ATOM 0 HD2 LYS A 39 7.830 0.720 9.853 1.00 0.00 H new ATOM 0 HD3 LYS A 39 9.026 0.378 11.088 1.00 0.00 H new ATOM 0 HE2 LYS A 39 8.437 2.402 11.990 1.00 0.00 H new ATOM 0 HE3 LYS A 39 9.390 3.112 10.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 7.146 4.023 10.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 7.402 3.162 9.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 6.478 2.474 10.542 1.00 0.00 H new ATOM 632 N ILE A 40 11.303 0.553 5.750 1.00 0.00 N ATOM 633 CA ILE A 40 12.352 0.253 4.737 1.00 0.00 C ATOM 634 C ILE A 40 13.698 0.780 5.235 1.00 0.00 C ATOM 635 O ILE A 40 13.976 1.960 5.164 1.00 0.00 O ATOM 636 CB ILE A 40 11.994 0.936 3.416 1.00 0.00 C ATOM 637 CG1 ILE A 40 13.125 0.721 2.406 1.00 0.00 C ATOM 638 CG2 ILE A 40 11.802 2.434 3.654 1.00 0.00 C ATOM 639 CD1 ILE A 40 12.697 1.254 1.038 1.00 0.00 C ATOM 0 H ILE A 40 11.362 1.479 6.174 1.00 0.00 H new ATOM 0 HA ILE A 40 12.415 -0.824 4.582 1.00 0.00 H new ATOM 0 HB ILE A 40 11.071 0.508 3.024 1.00 0.00 H new ATOM 0 HG12 ILE A 40 14.028 1.232 2.741 1.00 0.00 H new ATOM 0 HG13 ILE A 40 13.367 -0.339 2.335 1.00 0.00 H new ATOM 0 HG21 ILE A 40 11.547 2.922 2.713 1.00 0.00 H new ATOM 0 HG22 ILE A 40 10.997 2.588 4.373 1.00 0.00 H new ATOM 0 HG23 ILE A 40 12.725 2.861 4.046 1.00 0.00 H new ATOM 0 HD11 ILE A 40 13.502 1.101 0.320 1.00 0.00 H new ATOM 0 HD12 ILE A 40 11.806 0.723 0.703 1.00 0.00 H new ATOM 0 HD13 ILE A 40 12.477 2.319 1.115 1.00 0.00 H new ATOM 651 N GLU A 41 14.535 -0.083 5.742 1.00 0.00 N ATOM 652 CA GLU A 41 15.859 0.376 6.248 1.00 0.00 C ATOM 653 C GLU A 41 16.972 -0.162 5.349 1.00 0.00 C ATOM 654 O GLU A 41 18.125 0.196 5.489 1.00 0.00 O ATOM 655 CB GLU A 41 16.063 -0.133 7.676 1.00 0.00 C ATOM 656 CG GLU A 41 14.858 0.255 8.534 1.00 0.00 C ATOM 657 CD GLU A 41 15.294 0.397 9.994 1.00 0.00 C ATOM 658 OE1 GLU A 41 15.951 1.378 10.302 1.00 0.00 O ATOM 659 OE2 GLU A 41 14.964 -0.478 10.778 1.00 0.00 O ATOM 0 H GLU A 41 14.360 -1.084 5.828 1.00 0.00 H new ATOM 0 HA GLU A 41 15.889 1.466 6.242 1.00 0.00 H new ATOM 0 HB2 GLU A 41 16.187 -1.216 7.673 1.00 0.00 H new ATOM 0 HB3 GLU A 41 16.974 0.291 8.098 1.00 0.00 H new ATOM 0 HG2 GLU A 41 14.432 1.193 8.178 1.00 0.00 H new ATOM 0 HG3 GLU A 41 14.079 -0.502 8.448 1.00 0.00 H new ATOM 666 N MET A 42 16.639 -1.017 4.424 1.00 0.00 N ATOM 667 CA MET A 42 17.680 -1.575 3.515 1.00 0.00 C ATOM 668 C MET A 42 18.468 -0.427 2.884 1.00 0.00 C ATOM 669 O MET A 42 19.584 -0.142 3.274 1.00 0.00 O ATOM 670 CB MET A 42 17.013 -2.400 2.414 1.00 0.00 C ATOM 671 CG MET A 42 17.202 -3.889 2.708 1.00 0.00 C ATOM 672 SD MET A 42 15.981 -4.419 3.934 1.00 0.00 S ATOM 673 CE MET A 42 17.109 -4.531 5.345 1.00 0.00 C ATOM 0 H MET A 42 15.691 -1.354 4.257 1.00 0.00 H new ATOM 0 HA MET A 42 18.355 -2.213 4.085 1.00 0.00 H new ATOM 0 HB2 MET A 42 15.951 -2.161 2.359 1.00 0.00 H new ATOM 0 HB3 MET A 42 17.447 -2.152 1.445 1.00 0.00 H new ATOM 0 HG2 MET A 42 17.089 -4.469 1.792 1.00 0.00 H new ATOM 0 HG3 MET A 42 18.210 -4.073 3.080 1.00 0.00 H new ATOM 0 HE1 MET A 42 16.626 -5.078 6.155 1.00 0.00 H new ATOM 0 HE2 MET A 42 18.017 -5.055 5.045 1.00 0.00 H new ATOM 0 HE3 MET A 42 17.365 -3.528 5.687 1.00 0.00 H new ATOM 683 N GLY A 43 17.897 0.237 1.917 1.00 0.00 N ATOM 684 CA GLY A 43 18.616 1.370 1.270 1.00 0.00 C ATOM 685 C GLY A 43 18.891 1.044 -0.199 1.00 0.00 C ATOM 686 O GLY A 43 19.546 1.793 -0.895 1.00 0.00 O ATOM 0 H GLY A 43 16.966 0.045 1.548 1.00 0.00 H new ATOM 0 HA2 GLY A 43 18.020 2.280 1.344 1.00 0.00 H new ATOM 0 HA3 GLY A 43 19.554 1.561 1.791 1.00 0.00 H new ATOM 690 N GLU A 44 18.401 -0.065 -0.680 1.00 0.00 N ATOM 691 CA GLU A 44 18.647 -0.422 -2.107 1.00 0.00 C ATOM 692 C GLU A 44 17.540 0.172 -2.983 1.00 0.00 C ATOM 693 O GLU A 44 17.724 1.195 -3.613 1.00 0.00 O ATOM 694 CB GLU A 44 18.681 -1.944 -2.266 1.00 0.00 C ATOM 695 CG GLU A 44 19.855 -2.329 -3.171 1.00 0.00 C ATOM 696 CD GLU A 44 19.380 -3.326 -4.230 1.00 0.00 C ATOM 697 OE1 GLU A 44 18.194 -3.344 -4.510 1.00 0.00 O ATOM 698 OE2 GLU A 44 20.214 -4.053 -4.746 1.00 0.00 O ATOM 0 H GLU A 44 17.844 -0.736 -0.151 1.00 0.00 H new ATOM 0 HA GLU A 44 19.608 -0.014 -2.419 1.00 0.00 H new ATOM 0 HB2 GLU A 44 18.785 -2.421 -1.292 1.00 0.00 H new ATOM 0 HB3 GLU A 44 17.744 -2.298 -2.695 1.00 0.00 H new ATOM 0 HG2 GLU A 44 20.264 -1.440 -3.651 1.00 0.00 H new ATOM 0 HG3 GLU A 44 20.657 -2.768 -2.577 1.00 0.00 H new ATOM 705 N THR A 45 16.391 -0.449 -3.034 1.00 0.00 N ATOM 706 CA THR A 45 15.293 0.105 -3.874 1.00 0.00 C ATOM 707 C THR A 45 13.943 -0.482 -3.420 1.00 0.00 C ATOM 708 O THR A 45 13.902 -1.404 -2.631 1.00 0.00 O ATOM 709 CB THR A 45 15.586 -0.199 -5.363 1.00 0.00 C ATOM 710 OG1 THR A 45 15.422 0.992 -6.123 1.00 0.00 O ATOM 711 CG2 THR A 45 14.644 -1.277 -5.913 1.00 0.00 C ATOM 0 H THR A 45 16.168 -1.309 -2.534 1.00 0.00 H new ATOM 0 HA THR A 45 15.236 1.187 -3.756 1.00 0.00 H new ATOM 0 HB THR A 45 16.609 -0.567 -5.440 1.00 0.00 H new ATOM 0 HG1 THR A 45 15.608 0.806 -7.067 1.00 0.00 H new ATOM 0 HG21 THR A 45 14.878 -1.465 -6.961 1.00 0.00 H new ATOM 0 HG22 THR A 45 14.771 -2.197 -5.342 1.00 0.00 H new ATOM 0 HG23 THR A 45 13.612 -0.936 -5.828 1.00 0.00 H new ATOM 719 N PRO A 46 12.879 0.093 -3.930 1.00 0.00 N ATOM 720 CA PRO A 46 11.493 -0.319 -3.597 1.00 0.00 C ATOM 721 C PRO A 46 11.106 -1.641 -4.278 1.00 0.00 C ATOM 722 O PRO A 46 9.939 -1.955 -4.411 1.00 0.00 O ATOM 723 CB PRO A 46 10.622 0.808 -4.158 1.00 0.00 C ATOM 724 CG PRO A 46 11.530 1.708 -5.035 1.00 0.00 C ATOM 725 CD PRO A 46 12.971 1.219 -4.873 1.00 0.00 C ATOM 0 HA PRO A 46 11.376 -0.478 -2.525 1.00 0.00 H new ATOM 0 HB2 PRO A 46 9.801 0.400 -4.749 1.00 0.00 H new ATOM 0 HB3 PRO A 46 10.176 1.386 -3.349 1.00 0.00 H new ATOM 0 HG2 PRO A 46 11.224 1.656 -6.080 1.00 0.00 H new ATOM 0 HG3 PRO A 46 11.444 2.751 -4.729 1.00 0.00 H new ATOM 0 HD2 PRO A 46 13.392 0.903 -5.828 1.00 0.00 H new ATOM 0 HD3 PRO A 46 13.616 2.008 -4.486 1.00 0.00 H new ATOM 733 N GLU A 47 12.057 -2.414 -4.708 1.00 0.00 N ATOM 734 CA GLU A 47 11.729 -3.701 -5.376 1.00 0.00 C ATOM 735 C GLU A 47 12.166 -4.848 -4.473 1.00 0.00 C ATOM 736 O GLU A 47 11.442 -5.798 -4.248 1.00 0.00 O ATOM 737 CB GLU A 47 12.489 -3.780 -6.696 1.00 0.00 C ATOM 738 CG GLU A 47 11.517 -3.602 -7.864 1.00 0.00 C ATOM 739 CD GLU A 47 12.273 -3.751 -9.185 1.00 0.00 C ATOM 740 OE1 GLU A 47 13.404 -3.298 -9.251 1.00 0.00 O ATOM 741 OE2 GLU A 47 11.709 -4.314 -10.109 1.00 0.00 O ATOM 0 H GLU A 47 13.053 -2.210 -4.626 1.00 0.00 H new ATOM 0 HA GLU A 47 10.657 -3.766 -5.564 1.00 0.00 H new ATOM 0 HB2 GLU A 47 13.258 -3.009 -6.730 1.00 0.00 H new ATOM 0 HB3 GLU A 47 12.997 -4.741 -6.777 1.00 0.00 H new ATOM 0 HG2 GLU A 47 10.720 -4.343 -7.804 1.00 0.00 H new ATOM 0 HG3 GLU A 47 11.045 -2.621 -7.812 1.00 0.00 H new ATOM 748 N GLN A 48 13.353 -4.755 -3.950 1.00 0.00 N ATOM 749 CA GLN A 48 13.875 -5.803 -3.058 1.00 0.00 C ATOM 750 C GLN A 48 13.173 -5.710 -1.721 1.00 0.00 C ATOM 751 O GLN A 48 12.607 -6.657 -1.221 1.00 0.00 O ATOM 752 CB GLN A 48 15.362 -5.552 -2.857 1.00 0.00 C ATOM 753 CG GLN A 48 16.132 -6.709 -3.457 1.00 0.00 C ATOM 754 CD GLN A 48 17.429 -6.200 -4.087 1.00 0.00 C ATOM 755 OE1 GLN A 48 18.434 -6.068 -3.416 1.00 0.00 O ATOM 756 NE2 GLN A 48 17.451 -5.909 -5.359 1.00 0.00 N ATOM 0 H GLN A 48 13.992 -3.976 -4.112 1.00 0.00 H new ATOM 0 HA GLN A 48 13.708 -6.790 -3.489 1.00 0.00 H new ATOM 0 HB2 GLN A 48 15.655 -4.616 -3.332 1.00 0.00 H new ATOM 0 HB3 GLN A 48 15.589 -5.456 -1.795 1.00 0.00 H new ATOM 0 HG2 GLN A 48 16.357 -7.446 -2.686 1.00 0.00 H new ATOM 0 HG3 GLN A 48 15.524 -7.210 -4.210 1.00 0.00 H new ATOM 0 HE21 GLN A 48 16.608 -6.020 -5.922 1.00 0.00 H new ATOM 0 HE22 GLN A 48 18.311 -5.571 -5.790 1.00 0.00 H new ATOM 765 N ALA A 49 13.233 -4.561 -1.147 1.00 0.00 N ATOM 766 CA ALA A 49 12.603 -4.337 0.180 1.00 0.00 C ATOM 767 C ALA A 49 11.272 -5.092 0.265 1.00 0.00 C ATOM 768 O ALA A 49 11.091 -5.952 1.102 1.00 0.00 O ATOM 769 CB ALA A 49 12.354 -2.841 0.381 1.00 0.00 C ATOM 0 H ALA A 49 13.700 -3.744 -1.542 1.00 0.00 H new ATOM 0 HA ALA A 49 13.272 -4.705 0.958 1.00 0.00 H new ATOM 0 HB1 ALA A 49 11.892 -2.677 1.354 1.00 0.00 H new ATOM 0 HB2 ALA A 49 13.302 -2.305 0.334 1.00 0.00 H new ATOM 0 HB3 ALA A 49 11.691 -2.474 -0.402 1.00 0.00 H new ATOM 775 N VAL A 50 10.347 -4.787 -0.601 1.00 0.00 N ATOM 776 CA VAL A 50 9.038 -5.494 -0.577 1.00 0.00 C ATOM 777 C VAL A 50 9.259 -6.958 -0.947 1.00 0.00 C ATOM 778 O VAL A 50 8.585 -7.844 -0.460 1.00 0.00 O ATOM 779 CB VAL A 50 8.118 -4.832 -1.596 1.00 0.00 C ATOM 780 CG1 VAL A 50 8.544 -5.226 -3.014 1.00 0.00 C ATOM 781 CG2 VAL A 50 6.672 -5.262 -1.359 1.00 0.00 C ATOM 0 H VAL A 50 10.442 -4.076 -1.326 1.00 0.00 H new ATOM 0 HA VAL A 50 8.588 -5.441 0.414 1.00 0.00 H new ATOM 0 HB VAL A 50 8.191 -3.750 -1.483 1.00 0.00 H new ATOM 0 HG11 VAL A 50 7.883 -4.750 -3.738 1.00 0.00 H new ATOM 0 HG12 VAL A 50 9.569 -4.900 -3.190 1.00 0.00 H new ATOM 0 HG13 VAL A 50 8.483 -6.309 -3.124 1.00 0.00 H new ATOM 0 HG21 VAL A 50 6.025 -4.782 -2.093 1.00 0.00 H new ATOM 0 HG22 VAL A 50 6.593 -6.345 -1.458 1.00 0.00 H new ATOM 0 HG23 VAL A 50 6.364 -4.966 -0.356 1.00 0.00 H new ATOM 791 N VAL A 51 10.209 -7.214 -1.799 1.00 0.00 N ATOM 792 CA VAL A 51 10.495 -8.611 -2.200 1.00 0.00 C ATOM 793 C VAL A 51 10.518 -9.472 -0.943 1.00 0.00 C ATOM 794 O VAL A 51 9.780 -10.426 -0.799 1.00 0.00 O ATOM 795 CB VAL A 51 11.854 -8.630 -2.933 1.00 0.00 C ATOM 796 CG1 VAL A 51 12.974 -9.270 -2.100 1.00 0.00 C ATOM 797 CG2 VAL A 51 11.700 -9.422 -4.209 1.00 0.00 C ATOM 0 H VAL A 51 10.802 -6.509 -2.236 1.00 0.00 H new ATOM 0 HA VAL A 51 9.734 -9.007 -2.873 1.00 0.00 H new ATOM 0 HB VAL A 51 12.136 -7.595 -3.125 1.00 0.00 H new ATOM 0 HG11 VAL A 51 13.904 -9.254 -2.668 1.00 0.00 H new ATOM 0 HG12 VAL A 51 13.105 -8.710 -1.174 1.00 0.00 H new ATOM 0 HG13 VAL A 51 12.709 -10.301 -1.866 1.00 0.00 H new ATOM 0 HG21 VAL A 51 12.652 -9.445 -4.740 1.00 0.00 H new ATOM 0 HG22 VAL A 51 11.392 -10.440 -3.970 1.00 0.00 H new ATOM 0 HG23 VAL A 51 10.945 -8.953 -4.839 1.00 0.00 H new ATOM 807 N ARG A 52 11.375 -9.121 -0.043 1.00 0.00 N ATOM 808 CA ARG A 52 11.512 -9.850 1.219 1.00 0.00 C ATOM 809 C ARG A 52 10.230 -9.676 2.048 1.00 0.00 C ATOM 810 O ARG A 52 9.867 -10.538 2.822 1.00 0.00 O ATOM 811 CB ARG A 52 12.744 -9.258 1.912 1.00 0.00 C ATOM 812 CG ARG A 52 12.428 -8.839 3.345 1.00 0.00 C ATOM 813 CD ARG A 52 13.712 -8.381 4.045 1.00 0.00 C ATOM 814 NE ARG A 52 14.777 -9.413 3.878 1.00 0.00 N ATOM 815 CZ ARG A 52 14.471 -10.683 3.897 1.00 0.00 C ATOM 816 NH1 ARG A 52 13.802 -11.181 4.901 1.00 0.00 N ATOM 817 NH2 ARG A 52 14.834 -11.454 2.908 1.00 0.00 N ATOM 0 H ARG A 52 12.008 -8.327 -0.140 1.00 0.00 H new ATOM 0 HA ARG A 52 11.645 -10.923 1.080 1.00 0.00 H new ATOM 0 HB2 ARG A 52 13.550 -9.992 1.915 1.00 0.00 H new ATOM 0 HB3 ARG A 52 13.101 -8.395 1.349 1.00 0.00 H new ATOM 0 HG2 ARG A 52 11.695 -8.032 3.345 1.00 0.00 H new ATOM 0 HG3 ARG A 52 11.984 -9.673 3.888 1.00 0.00 H new ATOM 0 HD2 ARG A 52 14.045 -7.431 3.627 1.00 0.00 H new ATOM 0 HD3 ARG A 52 13.519 -8.213 5.105 1.00 0.00 H new ATOM 0 HE ARG A 52 15.747 -9.126 3.749 1.00 0.00 H new ATOM 0 HH11 ARG A 52 13.517 -10.578 5.673 1.00 0.00 H new ATOM 0 HH12 ARG A 52 13.564 -12.173 4.914 1.00 0.00 H new ATOM 0 HH21 ARG A 52 15.355 -11.065 2.123 1.00 0.00 H new ATOM 0 HH22 ARG A 52 14.596 -12.446 2.921 1.00 0.00 H new ATOM 831 N GLU A 53 9.535 -8.575 1.888 1.00 0.00 N ATOM 832 CA GLU A 53 8.280 -8.386 2.670 1.00 0.00 C ATOM 833 C GLU A 53 7.196 -9.310 2.107 1.00 0.00 C ATOM 834 O GLU A 53 6.119 -9.433 2.655 1.00 0.00 O ATOM 835 CB GLU A 53 7.832 -6.929 2.560 1.00 0.00 C ATOM 836 CG GLU A 53 8.996 -6.020 2.950 1.00 0.00 C ATOM 837 CD GLU A 53 8.918 -5.705 4.444 1.00 0.00 C ATOM 838 OE1 GLU A 53 8.970 -6.638 5.229 1.00 0.00 O ATOM 839 OE2 GLU A 53 8.809 -4.537 4.777 1.00 0.00 O ATOM 0 H GLU A 53 9.780 -7.811 1.258 1.00 0.00 H new ATOM 0 HA GLU A 53 8.453 -8.629 3.718 1.00 0.00 H new ATOM 0 HB2 GLU A 53 7.508 -6.710 1.542 1.00 0.00 H new ATOM 0 HB3 GLU A 53 6.978 -6.748 3.212 1.00 0.00 H new ATOM 0 HG2 GLU A 53 9.944 -6.506 2.719 1.00 0.00 H new ATOM 0 HG3 GLU A 53 8.961 -5.097 2.371 1.00 0.00 H new ATOM 846 N LEU A 54 7.485 -9.963 1.015 1.00 0.00 N ATOM 847 CA LEU A 54 6.495 -10.888 0.396 1.00 0.00 C ATOM 848 C LEU A 54 6.513 -12.230 1.133 1.00 0.00 C ATOM 849 O LEU A 54 5.519 -12.666 1.677 1.00 0.00 O ATOM 850 CB LEU A 54 6.872 -11.123 -1.072 1.00 0.00 C ATOM 851 CG LEU A 54 5.693 -10.763 -1.980 1.00 0.00 C ATOM 852 CD1 LEU A 54 6.216 -10.143 -3.275 1.00 0.00 C ATOM 853 CD2 LEU A 54 4.893 -12.027 -2.313 1.00 0.00 C ATOM 0 H LEU A 54 8.374 -9.894 0.520 1.00 0.00 H new ATOM 0 HA LEU A 54 5.500 -10.447 0.461 1.00 0.00 H new ATOM 0 HB2 LEU A 54 7.741 -10.519 -1.334 1.00 0.00 H new ATOM 0 HB3 LEU A 54 7.152 -12.166 -1.222 1.00 0.00 H new ATOM 0 HG LEU A 54 5.049 -10.050 -1.466 1.00 0.00 H new ATOM 0 HD11 LEU A 54 5.376 -9.887 -3.921 1.00 0.00 H new ATOM 0 HD12 LEU A 54 6.784 -9.242 -3.044 1.00 0.00 H new ATOM 0 HD13 LEU A 54 6.862 -10.857 -3.786 1.00 0.00 H new ATOM 0 HD21 LEU A 54 4.055 -11.767 -2.959 1.00 0.00 H new ATOM 0 HD22 LEU A 54 5.538 -12.741 -2.825 1.00 0.00 H new ATOM 0 HD23 LEU A 54 4.517 -12.473 -1.392 1.00 0.00 H new ATOM 865 N GLN A 55 7.637 -12.897 1.137 1.00 0.00 N ATOM 866 CA GLN A 55 7.721 -14.222 1.816 1.00 0.00 C ATOM 867 C GLN A 55 7.901 -14.046 3.326 1.00 0.00 C ATOM 868 O GLN A 55 7.590 -14.930 4.098 1.00 0.00 O ATOM 869 CB GLN A 55 8.915 -15.004 1.264 1.00 0.00 C ATOM 870 CG GLN A 55 8.616 -15.462 -0.161 1.00 0.00 C ATOM 871 CD GLN A 55 9.030 -16.926 -0.314 1.00 0.00 C ATOM 872 OE1 GLN A 55 9.213 -17.622 0.665 1.00 0.00 O ATOM 873 NE2 GLN A 55 9.189 -17.426 -1.509 1.00 0.00 N ATOM 0 H GLN A 55 8.502 -12.580 0.698 1.00 0.00 H new ATOM 0 HA GLN A 55 6.794 -14.764 1.628 1.00 0.00 H new ATOM 0 HB2 GLN A 55 9.808 -14.379 1.276 1.00 0.00 H new ATOM 0 HB3 GLN A 55 9.121 -15.867 1.898 1.00 0.00 H new ATOM 0 HG2 GLN A 55 7.554 -15.347 -0.378 1.00 0.00 H new ATOM 0 HG3 GLN A 55 9.156 -14.842 -0.876 1.00 0.00 H new ATOM 0 HE21 GLN A 55 9.035 -16.842 -2.331 1.00 0.00 H new ATOM 0 HE22 GLN A 55 9.467 -18.401 -1.621 1.00 0.00 H new ATOM 882 N GLU A 56 8.411 -12.926 3.757 1.00 0.00 N ATOM 883 CA GLU A 56 8.615 -12.728 5.223 1.00 0.00 C ATOM 884 C GLU A 56 7.300 -12.312 5.901 1.00 0.00 C ATOM 885 O GLU A 56 7.308 -11.757 6.982 1.00 0.00 O ATOM 886 CB GLU A 56 9.683 -11.652 5.451 1.00 0.00 C ATOM 887 CG GLU A 56 9.075 -10.261 5.255 1.00 0.00 C ATOM 888 CD GLU A 56 8.768 -9.640 6.619 1.00 0.00 C ATOM 889 OE1 GLU A 56 9.299 -10.127 7.604 1.00 0.00 O ATOM 890 OE2 GLU A 56 8.009 -8.686 6.657 1.00 0.00 O ATOM 0 H GLU A 56 8.694 -12.145 3.166 1.00 0.00 H new ATOM 0 HA GLU A 56 8.946 -13.669 5.662 1.00 0.00 H new ATOM 0 HB2 GLU A 56 10.091 -11.741 6.458 1.00 0.00 H new ATOM 0 HB3 GLU A 56 10.511 -11.797 4.757 1.00 0.00 H new ATOM 0 HG2 GLU A 56 9.766 -9.625 4.702 1.00 0.00 H new ATOM 0 HG3 GLU A 56 8.163 -10.332 4.662 1.00 0.00 H new ATOM 897 N GLU A 57 6.174 -12.566 5.289 1.00 0.00 N ATOM 898 CA GLU A 57 4.885 -12.169 5.925 1.00 0.00 C ATOM 899 C GLU A 57 3.819 -13.239 5.665 1.00 0.00 C ATOM 900 O GLU A 57 3.319 -13.863 6.581 1.00 0.00 O ATOM 901 CB GLU A 57 4.426 -10.832 5.343 1.00 0.00 C ATOM 902 CG GLU A 57 4.892 -9.693 6.253 1.00 0.00 C ATOM 903 CD GLU A 57 5.114 -8.428 5.422 1.00 0.00 C ATOM 904 OE1 GLU A 57 6.183 -8.300 4.847 1.00 0.00 O ATOM 905 OE2 GLU A 57 4.212 -7.609 5.374 1.00 0.00 O ATOM 0 H GLU A 57 6.091 -13.028 4.383 1.00 0.00 H new ATOM 0 HA GLU A 57 5.030 -12.070 7.001 1.00 0.00 H new ATOM 0 HB2 GLU A 57 4.833 -10.701 4.340 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.340 -10.817 5.251 1.00 0.00 H new ATOM 0 HG2 GLU A 57 4.148 -9.505 7.027 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.815 -9.974 6.760 1.00 0.00 H new ATOM 912 N VAL A 58 3.464 -13.460 4.429 1.00 0.00 N ATOM 913 CA VAL A 58 2.429 -14.493 4.124 1.00 0.00 C ATOM 914 C VAL A 58 3.012 -15.514 3.144 1.00 0.00 C ATOM 915 O VAL A 58 2.663 -16.678 3.157 1.00 0.00 O ATOM 916 CB VAL A 58 1.191 -13.826 3.497 1.00 0.00 C ATOM 917 CG1 VAL A 58 0.887 -12.506 4.200 1.00 0.00 C ATOM 918 CG2 VAL A 58 1.431 -13.560 2.012 1.00 0.00 C ATOM 0 H VAL A 58 3.844 -12.972 3.618 1.00 0.00 H new ATOM 0 HA VAL A 58 2.134 -14.994 5.046 1.00 0.00 H new ATOM 0 HB VAL A 58 0.343 -14.501 3.613 1.00 0.00 H new ATOM 0 HG11 VAL A 58 0.009 -12.046 3.746 1.00 0.00 H new ATOM 0 HG12 VAL A 58 0.694 -12.692 5.256 1.00 0.00 H new ATOM 0 HG13 VAL A 58 1.741 -11.836 4.100 1.00 0.00 H new ATOM 0 HG21 VAL A 58 0.549 -13.088 1.580 1.00 0.00 H new ATOM 0 HG22 VAL A 58 2.290 -12.899 1.895 1.00 0.00 H new ATOM 0 HG23 VAL A 58 1.626 -14.503 1.500 1.00 0.00 H new ATOM 928 N GLY A 59 3.893 -15.074 2.291 1.00 0.00 N ATOM 929 CA GLY A 59 4.504 -15.987 1.297 1.00 0.00 C ATOM 930 C GLY A 59 3.450 -16.435 0.282 1.00 0.00 C ATOM 931 O GLY A 59 3.108 -17.598 0.198 1.00 0.00 O ATOM 0 H GLY A 59 4.217 -14.108 2.243 1.00 0.00 H new ATOM 0 HA2 GLY A 59 5.324 -15.484 0.784 1.00 0.00 H new ATOM 0 HA3 GLY A 59 4.928 -16.856 1.801 1.00 0.00 H new ATOM 935 N ILE A 60 2.955 -15.523 -0.509 1.00 0.00 N ATOM 936 CA ILE A 60 1.946 -15.905 -1.543 1.00 0.00 C ATOM 937 C ILE A 60 2.721 -16.433 -2.759 1.00 0.00 C ATOM 938 O ILE A 60 3.883 -16.124 -2.933 1.00 0.00 O ATOM 939 CB ILE A 60 1.058 -14.698 -1.935 1.00 0.00 C ATOM 940 CG1 ILE A 60 1.605 -13.402 -1.331 1.00 0.00 C ATOM 941 CG2 ILE A 60 -0.365 -14.908 -1.395 1.00 0.00 C ATOM 942 CD1 ILE A 60 0.615 -12.263 -1.576 1.00 0.00 C ATOM 0 H ILE A 60 3.203 -14.534 -0.486 1.00 0.00 H new ATOM 0 HA ILE A 60 1.275 -16.670 -1.152 1.00 0.00 H new ATOM 0 HB ILE A 60 1.053 -14.622 -3.022 1.00 0.00 H new ATOM 0 HG12 ILE A 60 1.771 -13.529 -0.261 1.00 0.00 H new ATOM 0 HG13 ILE A 60 2.570 -13.160 -1.776 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -0.988 -14.058 -1.672 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -0.785 -15.819 -1.821 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -0.333 -14.996 -0.309 1.00 0.00 H new ATOM 0 HD11 ILE A 60 1.007 -11.342 -1.145 1.00 0.00 H new ATOM 0 HD12 ILE A 60 0.472 -12.130 -2.648 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -0.340 -12.504 -1.109 1.00 0.00 H new ATOM 954 N THR A 61 2.122 -17.255 -3.581 1.00 0.00 N ATOM 955 CA THR A 61 2.895 -17.810 -4.746 1.00 0.00 C ATOM 956 C THR A 61 2.446 -17.186 -6.081 1.00 0.00 C ATOM 957 O THR A 61 3.259 -16.575 -6.741 1.00 0.00 O ATOM 958 CB THR A 61 2.794 -19.346 -4.799 1.00 0.00 C ATOM 959 OG1 THR A 61 2.356 -19.755 -6.088 1.00 0.00 O ATOM 960 CG2 THR A 61 1.832 -19.868 -3.721 1.00 0.00 C ATOM 0 H THR A 61 1.153 -17.564 -3.505 1.00 0.00 H new ATOM 0 HA THR A 61 3.941 -17.542 -4.594 1.00 0.00 H new ATOM 0 HB THR A 61 3.781 -19.766 -4.605 1.00 0.00 H new ATOM 0 HG1 THR A 61 2.295 -20.733 -6.118 1.00 0.00 H new ATOM 0 HG21 THR A 61 1.777 -20.955 -3.778 1.00 0.00 H new ATOM 0 HG22 THR A 61 2.195 -19.574 -2.736 1.00 0.00 H new ATOM 0 HG23 THR A 61 0.840 -19.446 -3.883 1.00 0.00 H new ATOM 968 N PRO A 62 1.191 -17.355 -6.454 1.00 0.00 N ATOM 969 CA PRO A 62 0.660 -16.779 -7.715 1.00 0.00 C ATOM 970 C PRO A 62 0.471 -15.261 -7.586 1.00 0.00 C ATOM 971 O PRO A 62 -0.599 -14.742 -7.838 1.00 0.00 O ATOM 972 CB PRO A 62 -0.707 -17.445 -7.898 1.00 0.00 C ATOM 973 CG PRO A 62 -1.029 -18.215 -6.599 1.00 0.00 C ATOM 974 CD PRO A 62 0.210 -18.145 -5.691 1.00 0.00 C ATOM 0 HA PRO A 62 1.337 -16.950 -8.552 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -1.474 -16.697 -8.100 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -0.691 -18.123 -8.751 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -1.893 -17.777 -6.100 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -1.281 -19.252 -6.822 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -0.024 -17.671 -4.738 1.00 0.00 H new ATOM 0 HD3 PRO A 62 0.593 -19.141 -5.466 1.00 0.00 H new ATOM 982 N GLN A 63 1.480 -14.547 -7.179 1.00 0.00 N ATOM 983 CA GLN A 63 1.344 -13.086 -7.006 1.00 0.00 C ATOM 984 C GLN A 63 2.057 -12.360 -8.132 1.00 0.00 C ATOM 985 O GLN A 63 3.058 -11.701 -7.933 1.00 0.00 O ATOM 986 CB GLN A 63 1.947 -12.679 -5.662 1.00 0.00 C ATOM 987 CG GLN A 63 1.220 -11.444 -5.127 1.00 0.00 C ATOM 988 CD GLN A 63 2.200 -10.593 -4.318 1.00 0.00 C ATOM 989 OE1 GLN A 63 1.884 -10.150 -3.232 1.00 0.00 O ATOM 990 NE2 GLN A 63 3.383 -10.346 -4.807 1.00 0.00 N ATOM 0 H GLN A 63 2.402 -14.923 -6.957 1.00 0.00 H new ATOM 0 HA GLN A 63 0.288 -12.816 -7.029 1.00 0.00 H new ATOM 0 HB2 GLN A 63 1.862 -13.500 -4.950 1.00 0.00 H new ATOM 0 HB3 GLN A 63 3.010 -12.466 -5.778 1.00 0.00 H new ATOM 0 HG2 GLN A 63 0.811 -10.862 -5.953 1.00 0.00 H new ATOM 0 HG3 GLN A 63 0.379 -11.745 -4.502 1.00 0.00 H new ATOM 0 HE21 GLN A 63 3.646 -10.719 -5.719 1.00 0.00 H new ATOM 0 HE22 GLN A 63 4.046 -9.780 -4.277 1.00 0.00 H new ATOM 999 N HIS A 64 1.529 -12.458 -9.310 1.00 0.00 N ATOM 1000 CA HIS A 64 2.158 -11.747 -10.459 1.00 0.00 C ATOM 1001 C HIS A 64 2.073 -10.248 -10.181 1.00 0.00 C ATOM 1002 O HIS A 64 0.996 -9.693 -10.088 1.00 0.00 O ATOM 1003 CB HIS A 64 1.408 -12.077 -11.750 1.00 0.00 C ATOM 1004 CG HIS A 64 2.305 -11.816 -12.929 1.00 0.00 C ATOM 1005 ND1 HIS A 64 1.840 -11.844 -14.234 1.00 0.00 N ATOM 1006 CD2 HIS A 64 3.644 -11.517 -13.014 1.00 0.00 C ATOM 1007 CE1 HIS A 64 2.881 -11.571 -15.041 1.00 0.00 C ATOM 1008 NE2 HIS A 64 4.004 -11.364 -14.350 1.00 0.00 N ATOM 0 H HIS A 64 0.692 -12.996 -9.534 1.00 0.00 H new ATOM 0 HA HIS A 64 3.197 -12.057 -10.576 1.00 0.00 H new ATOM 0 HB2 HIS A 64 1.092 -13.120 -11.743 1.00 0.00 H new ATOM 0 HB3 HIS A 64 0.505 -11.471 -11.824 1.00 0.00 H new ATOM 0 HD2 HIS A 64 4.314 -11.416 -12.173 1.00 0.00 H new ATOM 0 HE1 HIS A 64 2.816 -11.525 -16.118 1.00 0.00 H new ATOM 0 HE2 HIS A 64 4.928 -11.141 -14.721 1.00 0.00 H new ATOM 1016 N PHE A 65 3.185 -9.585 -10.009 1.00 0.00 N ATOM 1017 CA PHE A 65 3.111 -8.131 -9.696 1.00 0.00 C ATOM 1018 C PHE A 65 4.033 -7.306 -10.578 1.00 0.00 C ATOM 1019 O PHE A 65 4.815 -7.803 -11.363 1.00 0.00 O ATOM 1020 CB PHE A 65 3.538 -7.898 -8.252 1.00 0.00 C ATOM 1021 CG PHE A 65 4.969 -8.354 -8.087 1.00 0.00 C ATOM 1022 CD1 PHE A 65 6.017 -7.507 -8.467 1.00 0.00 C ATOM 1023 CD2 PHE A 65 5.250 -9.621 -7.563 1.00 0.00 C ATOM 1024 CE1 PHE A 65 7.344 -7.927 -8.325 1.00 0.00 C ATOM 1025 CE2 PHE A 65 6.578 -10.042 -7.418 1.00 0.00 C ATOM 1026 CZ PHE A 65 7.626 -9.194 -7.799 1.00 0.00 C ATOM 0 H PHE A 65 4.124 -9.979 -10.070 1.00 0.00 H new ATOM 0 HA PHE A 65 2.080 -7.822 -9.869 1.00 0.00 H new ATOM 0 HB2 PHE A 65 3.447 -6.842 -7.997 1.00 0.00 H new ATOM 0 HB3 PHE A 65 2.886 -8.447 -7.573 1.00 0.00 H new ATOM 0 HD1 PHE A 65 5.801 -6.529 -8.870 1.00 0.00 H new ATOM 0 HD2 PHE A 65 4.442 -10.275 -7.270 1.00 0.00 H new ATOM 0 HE1 PHE A 65 8.151 -7.274 -8.621 1.00 0.00 H new ATOM 0 HE2 PHE A 65 6.794 -11.020 -7.013 1.00 0.00 H new ATOM 0 HZ PHE A 65 8.650 -9.517 -7.687 1.00 0.00 H new ATOM 1036 N SER A 66 3.940 -6.026 -10.395 1.00 0.00 N ATOM 1037 CA SER A 66 4.787 -5.055 -11.138 1.00 0.00 C ATOM 1038 C SER A 66 4.720 -3.729 -10.386 1.00 0.00 C ATOM 1039 O SER A 66 3.648 -3.264 -10.053 1.00 0.00 O ATOM 1040 CB SER A 66 4.257 -4.871 -12.560 1.00 0.00 C ATOM 1041 OG SER A 66 4.610 -6.003 -13.343 1.00 0.00 O ATOM 0 H SER A 66 3.289 -5.595 -9.738 1.00 0.00 H new ATOM 0 HA SER A 66 5.814 -5.415 -11.204 1.00 0.00 H new ATOM 0 HB2 SER A 66 3.174 -4.749 -12.544 1.00 0.00 H new ATOM 0 HB3 SER A 66 4.673 -3.965 -13.001 1.00 0.00 H new ATOM 0 HG SER A 66 4.960 -6.708 -12.759 1.00 0.00 H new ATOM 1047 N LEU A 67 5.829 -3.110 -10.093 1.00 0.00 N ATOM 1048 CA LEU A 67 5.744 -1.827 -9.344 1.00 0.00 C ATOM 1049 C LEU A 67 4.743 -0.911 -10.034 1.00 0.00 C ATOM 1050 O LEU A 67 5.067 -0.215 -10.975 1.00 0.00 O ATOM 1051 CB LEU A 67 7.097 -1.122 -9.282 1.00 0.00 C ATOM 1052 CG LEU A 67 6.889 0.304 -8.742 1.00 0.00 C ATOM 1053 CD1 LEU A 67 6.190 0.247 -7.378 1.00 0.00 C ATOM 1054 CD2 LEU A 67 8.246 0.997 -8.594 1.00 0.00 C ATOM 0 H LEU A 67 6.768 -3.427 -10.333 1.00 0.00 H new ATOM 0 HA LEU A 67 5.426 -2.051 -8.326 1.00 0.00 H new ATOM 0 HB2 LEU A 67 7.781 -1.674 -8.637 1.00 0.00 H new ATOM 0 HB3 LEU A 67 7.551 -1.088 -10.273 1.00 0.00 H new ATOM 0 HG LEU A 67 6.267 0.865 -9.440 1.00 0.00 H new ATOM 0 HD11 LEU A 67 6.045 1.259 -7.001 1.00 0.00 H new ATOM 0 HD12 LEU A 67 5.222 -0.242 -7.486 1.00 0.00 H new ATOM 0 HD13 LEU A 67 6.805 -0.317 -6.677 1.00 0.00 H new ATOM 0 HD21 LEU A 67 8.099 2.007 -8.212 1.00 0.00 H new ATOM 0 HD22 LEU A 67 8.869 0.433 -7.899 1.00 0.00 H new ATOM 0 HD23 LEU A 67 8.738 1.045 -9.565 1.00 0.00 H new ATOM 1066 N PHE A 68 3.535 -0.895 -9.558 1.00 0.00 N ATOM 1067 CA PHE A 68 2.505 -0.012 -10.155 1.00 0.00 C ATOM 1068 C PHE A 68 3.140 1.354 -10.423 1.00 0.00 C ATOM 1069 O PHE A 68 3.441 1.711 -11.544 1.00 0.00 O ATOM 1070 CB PHE A 68 1.354 0.110 -9.145 1.00 0.00 C ATOM 1071 CG PHE A 68 0.767 1.497 -9.134 1.00 0.00 C ATOM 1072 CD1 PHE A 68 0.341 2.096 -10.325 1.00 0.00 C ATOM 1073 CD2 PHE A 68 0.654 2.183 -7.925 1.00 0.00 C ATOM 1074 CE1 PHE A 68 -0.199 3.385 -10.301 1.00 0.00 C ATOM 1075 CE2 PHE A 68 0.117 3.468 -7.899 1.00 0.00 C ATOM 1076 CZ PHE A 68 -0.311 4.071 -9.086 1.00 0.00 C ATOM 0 H PHE A 68 3.214 -1.462 -8.773 1.00 0.00 H new ATOM 0 HA PHE A 68 2.122 -0.411 -11.094 1.00 0.00 H new ATOM 0 HB2 PHE A 68 0.576 -0.613 -9.391 1.00 0.00 H new ATOM 0 HB3 PHE A 68 1.717 -0.140 -8.148 1.00 0.00 H new ATOM 0 HD1 PHE A 68 0.429 1.563 -11.260 1.00 0.00 H new ATOM 0 HD2 PHE A 68 0.983 1.717 -7.008 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -0.529 3.851 -11.218 1.00 0.00 H new ATOM 0 HE2 PHE A 68 0.031 3.999 -6.962 1.00 0.00 H new ATOM 0 HZ PHE A 68 -0.728 5.067 -9.065 1.00 0.00 H new ATOM 1086 N GLU A 69 3.351 2.104 -9.387 1.00 0.00 N ATOM 1087 CA GLU A 69 3.977 3.447 -9.547 1.00 0.00 C ATOM 1088 C GLU A 69 4.506 3.934 -8.196 1.00 0.00 C ATOM 1089 O GLU A 69 4.121 3.444 -7.152 1.00 0.00 O ATOM 1090 CB GLU A 69 2.937 4.435 -10.073 1.00 0.00 C ATOM 1091 CG GLU A 69 3.509 5.190 -11.274 1.00 0.00 C ATOM 1092 CD GLU A 69 2.534 6.291 -11.694 1.00 0.00 C ATOM 1093 OE1 GLU A 69 1.354 6.000 -11.806 1.00 0.00 O ATOM 1094 OE2 GLU A 69 2.983 7.408 -11.896 1.00 0.00 O ATOM 0 H GLU A 69 3.117 1.848 -8.428 1.00 0.00 H new ATOM 0 HA GLU A 69 4.804 3.377 -10.254 1.00 0.00 H new ATOM 0 HB2 GLU A 69 2.030 3.904 -10.362 1.00 0.00 H new ATOM 0 HB3 GLU A 69 2.658 5.138 -9.288 1.00 0.00 H new ATOM 0 HG2 GLU A 69 4.476 5.624 -11.018 1.00 0.00 H new ATOM 0 HG3 GLU A 69 3.677 4.503 -12.103 1.00 0.00 H new ATOM 1101 N LYS A 70 5.387 4.897 -8.210 1.00 0.00 N ATOM 1102 CA LYS A 70 5.949 5.425 -6.933 1.00 0.00 C ATOM 1103 C LYS A 70 5.540 6.892 -6.772 1.00 0.00 C ATOM 1104 O LYS A 70 5.289 7.583 -7.738 1.00 0.00 O ATOM 1105 CB LYS A 70 7.476 5.321 -6.975 1.00 0.00 C ATOM 1106 CG LYS A 70 8.068 5.827 -5.657 1.00 0.00 C ATOM 1107 CD LYS A 70 9.534 6.204 -5.868 1.00 0.00 C ATOM 1108 CE LYS A 70 10.304 4.987 -6.387 1.00 0.00 C ATOM 1109 NZ LYS A 70 11.536 5.443 -7.091 1.00 0.00 N ATOM 0 H LYS A 70 5.744 5.343 -9.055 1.00 0.00 H new ATOM 0 HA LYS A 70 5.567 4.846 -6.092 1.00 0.00 H new ATOM 0 HB2 LYS A 70 7.774 4.286 -7.145 1.00 0.00 H new ATOM 0 HB3 LYS A 70 7.867 5.906 -7.808 1.00 0.00 H new ATOM 0 HG2 LYS A 70 7.507 6.691 -5.302 1.00 0.00 H new ATOM 0 HG3 LYS A 70 7.986 5.057 -4.890 1.00 0.00 H new ATOM 0 HD2 LYS A 70 9.610 7.026 -6.579 1.00 0.00 H new ATOM 0 HD3 LYS A 70 9.970 6.551 -4.931 1.00 0.00 H new ATOM 0 HE2 LYS A 70 10.568 4.330 -5.559 1.00 0.00 H new ATOM 0 HE3 LYS A 70 9.677 4.409 -7.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 12.060 4.617 -7.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 11.273 6.054 -7.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 12.136 5.977 -6.430 1.00 0.00 H new ATOM 1123 N LEU A 71 5.474 7.377 -5.560 1.00 0.00 N ATOM 1124 CA LEU A 71 5.085 8.801 -5.349 1.00 0.00 C ATOM 1125 C LEU A 71 6.141 9.501 -4.490 1.00 0.00 C ATOM 1126 O LEU A 71 7.164 8.935 -4.160 1.00 0.00 O ATOM 1127 CB LEU A 71 3.732 8.865 -4.642 1.00 0.00 C ATOM 1128 CG LEU A 71 3.622 7.712 -3.643 1.00 0.00 C ATOM 1129 CD1 LEU A 71 4.539 7.981 -2.450 1.00 0.00 C ATOM 1130 CD2 LEU A 71 2.178 7.596 -3.157 1.00 0.00 C ATOM 0 H LEU A 71 5.672 6.850 -4.710 1.00 0.00 H new ATOM 0 HA LEU A 71 5.014 9.300 -6.315 1.00 0.00 H new ATOM 0 HB2 LEU A 71 3.625 9.819 -4.126 1.00 0.00 H new ATOM 0 HB3 LEU A 71 2.925 8.805 -5.372 1.00 0.00 H new ATOM 0 HG LEU A 71 3.919 6.782 -4.128 1.00 0.00 H new ATOM 0 HD11 LEU A 71 4.460 7.159 -1.738 1.00 0.00 H new ATOM 0 HD12 LEU A 71 5.570 8.065 -2.795 1.00 0.00 H new ATOM 0 HD13 LEU A 71 4.242 8.911 -1.965 1.00 0.00 H new ATOM 0 HD21 LEU A 71 2.099 6.775 -2.445 1.00 0.00 H new ATOM 0 HD22 LEU A 71 1.881 8.526 -2.672 1.00 0.00 H new ATOM 0 HD23 LEU A 71 1.522 7.404 -4.007 1.00 0.00 H new ATOM 1142 N GLU A 72 5.897 10.731 -4.127 1.00 0.00 N ATOM 1143 CA GLU A 72 6.882 11.480 -3.291 1.00 0.00 C ATOM 1144 C GLU A 72 6.159 12.612 -2.553 1.00 0.00 C ATOM 1145 O GLU A 72 5.168 13.132 -3.023 1.00 0.00 O ATOM 1146 CB GLU A 72 7.965 12.075 -4.195 1.00 0.00 C ATOM 1147 CG GLU A 72 9.349 11.720 -3.647 1.00 0.00 C ATOM 1148 CD GLU A 72 10.344 11.614 -4.805 1.00 0.00 C ATOM 1149 OE1 GLU A 72 9.997 11.007 -5.804 1.00 0.00 O ATOM 1150 OE2 GLU A 72 11.437 12.141 -4.673 1.00 0.00 O ATOM 0 H GLU A 72 5.056 11.252 -4.374 1.00 0.00 H new ATOM 0 HA GLU A 72 7.340 10.804 -2.569 1.00 0.00 H new ATOM 0 HB2 GLU A 72 7.856 11.692 -5.210 1.00 0.00 H new ATOM 0 HB3 GLU A 72 7.852 13.158 -4.250 1.00 0.00 H new ATOM 0 HG2 GLU A 72 9.678 12.481 -2.939 1.00 0.00 H new ATOM 0 HG3 GLU A 72 9.306 10.776 -3.103 1.00 0.00 H new ATOM 1157 N TYR A 73 6.642 12.999 -1.402 1.00 0.00 N ATOM 1158 CA TYR A 73 5.968 14.098 -0.650 1.00 0.00 C ATOM 1159 C TYR A 73 6.973 14.801 0.267 1.00 0.00 C ATOM 1160 O TYR A 73 8.051 14.303 0.524 1.00 0.00 O ATOM 1161 CB TYR A 73 4.832 13.517 0.197 1.00 0.00 C ATOM 1162 CG TYR A 73 3.780 14.577 0.431 1.00 0.00 C ATOM 1163 CD1 TYR A 73 3.036 15.079 -0.645 1.00 0.00 C ATOM 1164 CD2 TYR A 73 3.546 15.058 1.725 1.00 0.00 C ATOM 1165 CE1 TYR A 73 2.061 16.060 -0.426 1.00 0.00 C ATOM 1166 CE2 TYR A 73 2.571 16.039 1.945 1.00 0.00 C ATOM 1167 CZ TYR A 73 1.829 16.539 0.869 1.00 0.00 C ATOM 1168 OH TYR A 73 0.867 17.505 1.086 1.00 0.00 O ATOM 0 H TYR A 73 7.468 12.605 -0.952 1.00 0.00 H new ATOM 0 HA TYR A 73 5.566 14.819 -1.362 1.00 0.00 H new ATOM 0 HB2 TYR A 73 4.391 12.658 -0.308 1.00 0.00 H new ATOM 0 HB3 TYR A 73 5.222 13.160 1.150 1.00 0.00 H new ATOM 0 HD1 TYR A 73 3.215 14.709 -1.644 1.00 0.00 H new ATOM 0 HD2 TYR A 73 4.119 14.672 2.555 1.00 0.00 H new ATOM 0 HE1 TYR A 73 1.488 16.447 -1.256 1.00 0.00 H new ATOM 0 HE2 TYR A 73 2.392 16.409 2.944 1.00 0.00 H new ATOM 0 HH TYR A 73 0.833 17.725 2.040 1.00 0.00 H new ATOM 1178 N GLU A 74 6.622 15.958 0.762 1.00 0.00 N ATOM 1179 CA GLU A 74 7.544 16.705 1.663 1.00 0.00 C ATOM 1180 C GLU A 74 6.726 17.505 2.674 1.00 0.00 C ATOM 1181 O GLU A 74 5.906 18.326 2.317 1.00 0.00 O ATOM 1182 CB GLU A 74 8.402 17.662 0.836 1.00 0.00 C ATOM 1183 CG GLU A 74 9.383 18.389 1.757 1.00 0.00 C ATOM 1184 CD GLU A 74 10.415 19.143 0.915 1.00 0.00 C ATOM 1185 OE1 GLU A 74 10.387 18.991 -0.295 1.00 0.00 O ATOM 1186 OE2 GLU A 74 11.216 19.857 1.496 1.00 0.00 O ATOM 0 H GLU A 74 5.731 16.419 0.579 1.00 0.00 H new ATOM 0 HA GLU A 74 8.188 16.000 2.188 1.00 0.00 H new ATOM 0 HB2 GLU A 74 8.946 17.110 0.070 1.00 0.00 H new ATOM 0 HB3 GLU A 74 7.768 18.383 0.320 1.00 0.00 H new ATOM 0 HG2 GLU A 74 8.845 19.085 2.401 1.00 0.00 H new ATOM 0 HG3 GLU A 74 9.884 17.673 2.409 1.00 0.00 H new ATOM 1193 N PHE A 75 6.947 17.267 3.934 1.00 0.00 N ATOM 1194 CA PHE A 75 6.192 18.005 4.980 1.00 0.00 C ATOM 1195 C PHE A 75 6.856 19.366 5.208 1.00 0.00 C ATOM 1196 O PHE A 75 7.919 19.629 4.682 1.00 0.00 O ATOM 1197 CB PHE A 75 6.232 17.193 6.272 1.00 0.00 C ATOM 1198 CG PHE A 75 4.886 16.551 6.519 1.00 0.00 C ATOM 1199 CD1 PHE A 75 4.325 15.707 5.554 1.00 0.00 C ATOM 1200 CD2 PHE A 75 4.204 16.793 7.718 1.00 0.00 C ATOM 1201 CE1 PHE A 75 3.082 15.105 5.787 1.00 0.00 C ATOM 1202 CE2 PHE A 75 2.962 16.191 7.951 1.00 0.00 C ATOM 1203 CZ PHE A 75 2.401 15.346 6.986 1.00 0.00 C ATOM 0 H PHE A 75 7.622 16.589 4.286 1.00 0.00 H new ATOM 0 HA PHE A 75 5.158 18.154 4.669 1.00 0.00 H new ATOM 0 HB2 PHE A 75 7.004 16.426 6.206 1.00 0.00 H new ATOM 0 HB3 PHE A 75 6.496 17.839 7.110 1.00 0.00 H new ATOM 0 HD1 PHE A 75 4.851 15.520 4.629 1.00 0.00 H new ATOM 0 HD2 PHE A 75 4.636 17.444 8.463 1.00 0.00 H new ATOM 0 HE1 PHE A 75 2.649 14.455 5.041 1.00 0.00 H new ATOM 0 HE2 PHE A 75 2.436 16.378 8.876 1.00 0.00 H new ATOM 0 HZ PHE A 75 1.443 14.880 7.167 1.00 0.00 H new ATOM 1213 N PRO A 76 6.210 20.193 5.990 1.00 0.00 N ATOM 1214 CA PRO A 76 6.729 21.535 6.303 1.00 0.00 C ATOM 1215 C PRO A 76 8.108 21.424 6.953 1.00 0.00 C ATOM 1216 O PRO A 76 8.847 22.384 7.041 1.00 0.00 O ATOM 1217 CB PRO A 76 5.704 22.133 7.277 1.00 0.00 C ATOM 1218 CG PRO A 76 4.562 21.100 7.454 1.00 0.00 C ATOM 1219 CD PRO A 76 4.922 19.858 6.622 1.00 0.00 C ATOM 0 HA PRO A 76 6.852 22.157 5.417 1.00 0.00 H new ATOM 0 HB2 PRO A 76 6.172 22.354 8.236 1.00 0.00 H new ATOM 0 HB3 PRO A 76 5.312 23.073 6.890 1.00 0.00 H new ATOM 0 HG2 PRO A 76 4.445 20.836 8.505 1.00 0.00 H new ATOM 0 HG3 PRO A 76 3.612 21.520 7.123 1.00 0.00 H new ATOM 0 HD2 PRO A 76 5.008 18.971 7.250 1.00 0.00 H new ATOM 0 HD3 PRO A 76 4.157 19.646 5.875 1.00 0.00 H new ATOM 1227 N ASP A 77 8.454 20.255 7.409 1.00 0.00 N ATOM 1228 CA ASP A 77 9.782 20.067 8.055 1.00 0.00 C ATOM 1229 C ASP A 77 10.219 18.594 7.993 1.00 0.00 C ATOM 1230 O ASP A 77 11.205 18.215 8.594 1.00 0.00 O ATOM 1231 CB ASP A 77 9.697 20.503 9.520 1.00 0.00 C ATOM 1232 CG ASP A 77 8.781 19.545 10.286 1.00 0.00 C ATOM 1233 OD1 ASP A 77 7.668 19.335 9.835 1.00 0.00 O ATOM 1234 OD2 ASP A 77 9.209 19.039 11.311 1.00 0.00 O ATOM 0 H ASP A 77 7.873 19.418 7.362 1.00 0.00 H new ATOM 0 HA ASP A 77 10.515 20.672 7.521 1.00 0.00 H new ATOM 0 HB2 ASP A 77 10.691 20.508 9.967 1.00 0.00 H new ATOM 0 HB3 ASP A 77 9.313 21.521 9.586 1.00 0.00 H new ATOM 1239 N ARG A 78 9.500 17.754 7.294 1.00 0.00 N ATOM 1240 CA ARG A 78 9.880 16.334 7.226 1.00 0.00 C ATOM 1241 C ARG A 78 9.925 15.884 5.765 1.00 0.00 C ATOM 1242 O ARG A 78 9.849 16.684 4.854 1.00 0.00 O ATOM 1243 CB ARG A 78 8.818 15.544 7.971 1.00 0.00 C ATOM 1244 CG ARG A 78 9.035 15.703 9.471 1.00 0.00 C ATOM 1245 CD ARG A 78 9.467 14.363 10.072 1.00 0.00 C ATOM 1246 NE ARG A 78 8.397 13.858 10.977 1.00 0.00 N ATOM 1247 CZ ARG A 78 8.393 12.609 11.349 1.00 0.00 C ATOM 1248 NH1 ARG A 78 9.363 12.143 12.088 1.00 0.00 N ATOM 1249 NH2 ARG A 78 7.416 11.824 10.984 1.00 0.00 N ATOM 0 H ARG A 78 8.663 18.004 6.768 1.00 0.00 H new ATOM 0 HA ARG A 78 10.863 16.174 7.669 1.00 0.00 H new ATOM 0 HB2 ARG A 78 7.825 15.898 7.696 1.00 0.00 H new ATOM 0 HB3 ARG A 78 8.869 14.491 7.694 1.00 0.00 H new ATOM 0 HG2 ARG A 78 9.796 16.460 9.660 1.00 0.00 H new ATOM 0 HG3 ARG A 78 8.117 16.048 9.947 1.00 0.00 H new ATOM 0 HD2 ARG A 78 9.658 13.641 9.278 1.00 0.00 H new ATOM 0 HD3 ARG A 78 10.399 14.483 10.624 1.00 0.00 H new ATOM 0 HE ARG A 78 7.667 14.490 11.306 1.00 0.00 H new ATOM 0 HH11 ARG A 78 10.125 12.757 12.375 1.00 0.00 H new ATOM 0 HH12 ARG A 78 9.358 11.165 12.378 1.00 0.00 H new ATOM 0 HH21 ARG A 78 6.657 12.188 10.408 1.00 0.00 H new ATOM 0 HH22 ARG A 78 7.412 10.846 11.274 1.00 0.00 H new ATOM 1263 N HIS A 79 10.041 14.607 5.537 1.00 0.00 N ATOM 1264 CA HIS A 79 10.084 14.098 4.138 1.00 0.00 C ATOM 1265 C HIS A 79 9.365 12.754 4.077 1.00 0.00 C ATOM 1266 O HIS A 79 9.622 11.867 4.865 1.00 0.00 O ATOM 1267 CB HIS A 79 11.538 13.926 3.703 1.00 0.00 C ATOM 1268 CG HIS A 79 12.295 15.184 4.016 1.00 0.00 C ATOM 1269 ND1 HIS A 79 12.943 15.376 5.226 1.00 0.00 N ATOM 1270 CD2 HIS A 79 12.505 16.330 3.292 1.00 0.00 C ATOM 1271 CE1 HIS A 79 13.505 16.598 5.195 1.00 0.00 C ATOM 1272 NE2 HIS A 79 13.269 17.222 4.038 1.00 0.00 N ATOM 0 H HIS A 79 10.108 13.891 6.261 1.00 0.00 H new ATOM 0 HA HIS A 79 9.593 14.806 3.470 1.00 0.00 H new ATOM 0 HB2 HIS A 79 11.988 13.078 4.220 1.00 0.00 H new ATOM 0 HB3 HIS A 79 11.589 13.712 2.635 1.00 0.00 H new ATOM 0 HD1 HIS A 79 12.986 14.712 5.999 1.00 0.00 H new ATOM 0 HD2 HIS A 79 12.134 16.512 2.294 1.00 0.00 H new ATOM 0 HE1 HIS A 79 14.077 17.023 6.007 1.00 0.00 H new ATOM 1280 N ILE A 80 8.459 12.596 3.155 1.00 0.00 N ATOM 1281 CA ILE A 80 7.723 11.305 3.061 1.00 0.00 C ATOM 1282 C ILE A 80 8.032 10.622 1.729 1.00 0.00 C ATOM 1283 O ILE A 80 7.286 10.732 0.778 1.00 0.00 O ATOM 1284 CB ILE A 80 6.217 11.558 3.164 1.00 0.00 C ATOM 1285 CG1 ILE A 80 5.957 12.776 4.055 1.00 0.00 C ATOM 1286 CG2 ILE A 80 5.540 10.329 3.774 1.00 0.00 C ATOM 1287 CD1 ILE A 80 6.409 12.469 5.482 1.00 0.00 C ATOM 0 H ILE A 80 8.197 13.300 2.465 1.00 0.00 H new ATOM 0 HA ILE A 80 8.040 10.659 3.879 1.00 0.00 H new ATOM 0 HB ILE A 80 5.812 11.747 2.170 1.00 0.00 H new ATOM 0 HG12 ILE A 80 6.495 13.643 3.670 1.00 0.00 H new ATOM 0 HG13 ILE A 80 4.897 13.028 4.044 1.00 0.00 H new ATOM 0 HG21 ILE A 80 4.467 10.505 3.849 1.00 0.00 H new ATOM 0 HG22 ILE A 80 5.722 9.461 3.140 1.00 0.00 H new ATOM 0 HG23 ILE A 80 5.948 10.144 4.768 1.00 0.00 H new ATOM 0 HD11 ILE A 80 6.224 13.336 6.117 1.00 0.00 H new ATOM 0 HD12 ILE A 80 5.852 11.614 5.864 1.00 0.00 H new ATOM 0 HD13 ILE A 80 7.474 12.238 5.485 1.00 0.00 H new ATOM 1299 N THR A 81 9.118 9.902 1.660 1.00 0.00 N ATOM 1300 CA THR A 81 9.463 9.195 0.395 1.00 0.00 C ATOM 1301 C THR A 81 8.858 7.792 0.448 1.00 0.00 C ATOM 1302 O THR A 81 9.493 6.848 0.874 1.00 0.00 O ATOM 1303 CB THR A 81 10.985 9.092 0.264 1.00 0.00 C ATOM 1304 OG1 THR A 81 11.597 9.609 1.438 1.00 0.00 O ATOM 1305 CG2 THR A 81 11.449 9.893 -0.952 1.00 0.00 C ATOM 0 H THR A 81 9.781 9.773 2.425 1.00 0.00 H new ATOM 0 HA THR A 81 9.070 9.743 -0.461 1.00 0.00 H new ATOM 0 HB THR A 81 11.269 8.047 0.137 1.00 0.00 H new ATOM 0 HG1 THR A 81 12.571 9.542 1.356 1.00 0.00 H new ATOM 0 HG21 THR A 81 12.533 9.819 -1.044 1.00 0.00 H new ATOM 0 HG22 THR A 81 10.980 9.494 -1.851 1.00 0.00 H new ATOM 0 HG23 THR A 81 11.166 10.938 -0.829 1.00 0.00 H new ATOM 1313 N LEU A 82 7.626 7.650 0.044 1.00 0.00 N ATOM 1314 CA LEU A 82 6.978 6.313 0.098 1.00 0.00 C ATOM 1315 C LEU A 82 6.946 5.681 -1.293 1.00 0.00 C ATOM 1316 O LEU A 82 7.187 6.331 -2.292 1.00 0.00 O ATOM 1317 CB LEU A 82 5.550 6.476 0.614 1.00 0.00 C ATOM 1318 CG LEU A 82 5.458 5.935 2.041 1.00 0.00 C ATOM 1319 CD1 LEU A 82 6.070 6.949 3.009 1.00 0.00 C ATOM 1320 CD2 LEU A 82 3.990 5.702 2.406 1.00 0.00 C ATOM 0 H LEU A 82 7.042 8.402 -0.321 1.00 0.00 H new ATOM 0 HA LEU A 82 7.547 5.665 0.764 1.00 0.00 H new ATOM 0 HB2 LEU A 82 5.262 7.527 0.593 1.00 0.00 H new ATOM 0 HB3 LEU A 82 4.855 5.942 -0.034 1.00 0.00 H new ATOM 0 HG LEU A 82 6.002 4.993 2.109 1.00 0.00 H new ATOM 0 HD11 LEU A 82 6.005 6.565 4.027 1.00 0.00 H new ATOM 0 HD12 LEU A 82 7.116 7.115 2.749 1.00 0.00 H new ATOM 0 HD13 LEU A 82 5.526 7.891 2.941 1.00 0.00 H new ATOM 0 HD21 LEU A 82 3.925 5.316 3.423 1.00 0.00 H new ATOM 0 HD22 LEU A 82 3.445 6.643 2.339 1.00 0.00 H new ATOM 0 HD23 LEU A 82 3.554 4.980 1.716 1.00 0.00 H new ATOM 1332 N TRP A 83 6.638 4.415 -1.360 1.00 0.00 N ATOM 1333 CA TRP A 83 6.575 3.723 -2.678 1.00 0.00 C ATOM 1334 C TRP A 83 5.179 3.124 -2.844 1.00 0.00 C ATOM 1335 O TRP A 83 4.432 3.001 -1.894 1.00 0.00 O ATOM 1336 CB TRP A 83 7.620 2.601 -2.736 1.00 0.00 C ATOM 1337 CG TRP A 83 8.755 2.911 -1.811 1.00 0.00 C ATOM 1338 CD1 TRP A 83 8.948 2.340 -0.600 1.00 0.00 C ATOM 1339 CD2 TRP A 83 9.851 3.853 -1.998 1.00 0.00 C ATOM 1340 NE1 TRP A 83 10.092 2.870 -0.032 1.00 0.00 N ATOM 1341 CE2 TRP A 83 10.685 3.806 -0.856 1.00 0.00 C ATOM 1342 CE3 TRP A 83 10.200 4.734 -3.038 1.00 0.00 C ATOM 1343 CZ2 TRP A 83 11.823 4.604 -0.749 1.00 0.00 C ATOM 1344 CZ3 TRP A 83 11.346 5.539 -2.933 1.00 0.00 C ATOM 1345 CH2 TRP A 83 12.155 5.474 -1.790 1.00 0.00 C ATOM 0 H TRP A 83 6.426 3.827 -0.554 1.00 0.00 H new ATOM 0 HA TRP A 83 6.781 4.436 -3.477 1.00 0.00 H new ATOM 0 HB2 TRP A 83 7.162 1.652 -2.458 1.00 0.00 H new ATOM 0 HB3 TRP A 83 7.990 2.490 -3.755 1.00 0.00 H new ATOM 0 HD1 TRP A 83 8.312 1.592 -0.150 1.00 0.00 H new ATOM 0 HE1 TRP A 83 10.453 2.602 0.883 1.00 0.00 H new ATOM 0 HE3 TRP A 83 9.583 4.792 -3.922 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 12.444 4.550 0.133 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 11.605 6.212 -3.737 1.00 0.00 H new ATOM 0 HH2 TRP A 83 13.034 6.096 -1.714 1.00 0.00 H new ATOM 1356 N PHE A 84 4.815 2.753 -4.037 1.00 0.00 N ATOM 1357 CA PHE A 84 3.462 2.168 -4.243 1.00 0.00 C ATOM 1358 C PHE A 84 3.565 0.953 -5.162 1.00 0.00 C ATOM 1359 O PHE A 84 3.438 1.067 -6.365 1.00 0.00 O ATOM 1360 CB PHE A 84 2.556 3.216 -4.893 1.00 0.00 C ATOM 1361 CG PHE A 84 1.645 3.824 -3.855 1.00 0.00 C ATOM 1362 CD1 PHE A 84 2.181 4.582 -2.807 1.00 0.00 C ATOM 1363 CD2 PHE A 84 0.262 3.637 -3.948 1.00 0.00 C ATOM 1364 CE1 PHE A 84 1.331 5.152 -1.851 1.00 0.00 C ATOM 1365 CE2 PHE A 84 -0.587 4.207 -2.994 1.00 0.00 C ATOM 1366 CZ PHE A 84 -0.053 4.965 -1.946 1.00 0.00 C ATOM 0 H PHE A 84 5.392 2.828 -4.875 1.00 0.00 H new ATOM 0 HA PHE A 84 3.046 1.863 -3.283 1.00 0.00 H new ATOM 0 HB2 PHE A 84 3.161 3.994 -5.358 1.00 0.00 H new ATOM 0 HB3 PHE A 84 1.964 2.757 -5.684 1.00 0.00 H new ATOM 0 HD1 PHE A 84 3.249 4.727 -2.736 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -0.150 3.052 -4.757 1.00 0.00 H new ATOM 0 HE1 PHE A 84 1.743 5.735 -1.041 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -1.655 4.062 -3.066 1.00 0.00 H new ATOM 0 HZ PHE A 84 -0.709 5.406 -1.210 1.00 0.00 H new ATOM 1376 N TRP A 85 3.782 -0.214 -4.618 1.00 0.00 N ATOM 1377 CA TRP A 85 3.873 -1.414 -5.486 1.00 0.00 C ATOM 1378 C TRP A 85 2.464 -2.000 -5.627 1.00 0.00 C ATOM 1379 O TRP A 85 1.630 -1.837 -4.760 1.00 0.00 O ATOM 1380 CB TRP A 85 4.886 -2.402 -4.856 1.00 0.00 C ATOM 1381 CG TRP A 85 4.281 -3.733 -4.508 1.00 0.00 C ATOM 1382 CD1 TRP A 85 3.136 -3.926 -3.812 1.00 0.00 C ATOM 1383 CD2 TRP A 85 4.805 -5.059 -4.798 1.00 0.00 C ATOM 1384 NE1 TRP A 85 2.917 -5.283 -3.675 1.00 0.00 N ATOM 1385 CE2 TRP A 85 3.920 -6.023 -4.264 1.00 0.00 C ATOM 1386 CE3 TRP A 85 5.951 -5.513 -5.473 1.00 0.00 C ATOM 1387 CZ2 TRP A 85 4.162 -7.388 -4.393 1.00 0.00 C ATOM 1388 CZ3 TRP A 85 6.200 -6.889 -5.605 1.00 0.00 C ATOM 1389 CH2 TRP A 85 5.307 -7.825 -5.065 1.00 0.00 C ATOM 0 H TRP A 85 3.899 -0.384 -3.619 1.00 0.00 H new ATOM 0 HA TRP A 85 4.236 -1.179 -6.486 1.00 0.00 H new ATOM 0 HB2 TRP A 85 5.712 -2.557 -5.550 1.00 0.00 H new ATOM 0 HB3 TRP A 85 5.306 -1.955 -3.955 1.00 0.00 H new ATOM 0 HD1 TRP A 85 2.497 -3.145 -3.426 1.00 0.00 H new ATOM 0 HE1 TRP A 85 2.112 -5.688 -3.197 1.00 0.00 H new ATOM 0 HE3 TRP A 85 6.645 -4.799 -5.893 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 3.469 -8.105 -3.977 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 7.084 -7.228 -6.125 1.00 0.00 H new ATOM 0 HH2 TRP A 85 5.503 -8.882 -5.168 1.00 0.00 H new ATOM 1400 N LEU A 86 2.176 -2.655 -6.713 1.00 0.00 N ATOM 1401 CA LEU A 86 0.808 -3.217 -6.886 1.00 0.00 C ATOM 1402 C LEU A 86 0.895 -4.571 -7.584 1.00 0.00 C ATOM 1403 O LEU A 86 1.507 -4.704 -8.624 1.00 0.00 O ATOM 1404 CB LEU A 86 -0.030 -2.260 -7.735 1.00 0.00 C ATOM 1405 CG LEU A 86 -1.507 -2.643 -7.633 1.00 0.00 C ATOM 1406 CD1 LEU A 86 -1.902 -2.785 -6.166 1.00 0.00 C ATOM 1407 CD2 LEU A 86 -2.362 -1.553 -8.281 1.00 0.00 C ATOM 0 H LEU A 86 2.822 -2.826 -7.484 1.00 0.00 H new ATOM 0 HA LEU A 86 0.342 -3.343 -5.909 1.00 0.00 H new ATOM 0 HB2 LEU A 86 0.114 -1.235 -7.395 1.00 0.00 H new ATOM 0 HB3 LEU A 86 0.296 -2.300 -8.774 1.00 0.00 H new ATOM 0 HG LEU A 86 -1.668 -3.591 -8.146 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -2.955 -3.058 -6.098 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -1.295 -3.561 -5.699 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -1.739 -1.838 -5.652 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -3.415 -1.825 -8.209 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -2.196 -0.606 -7.767 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -2.085 -1.449 -9.330 1.00 0.00 H new ATOM 1419 N VAL A 87 0.293 -5.580 -7.018 1.00 0.00 N ATOM 1420 CA VAL A 87 0.351 -6.920 -7.649 1.00 0.00 C ATOM 1421 C VAL A 87 -0.934 -7.184 -8.435 1.00 0.00 C ATOM 1422 O VAL A 87 -1.658 -6.271 -8.780 1.00 0.00 O ATOM 1423 CB VAL A 87 0.507 -7.962 -6.558 1.00 0.00 C ATOM 1424 CG1 VAL A 87 1.669 -7.580 -5.644 1.00 0.00 C ATOM 1425 CG2 VAL A 87 -0.776 -8.038 -5.738 1.00 0.00 C ATOM 0 H VAL A 87 -0.235 -5.531 -6.147 1.00 0.00 H new ATOM 0 HA VAL A 87 1.196 -6.968 -8.336 1.00 0.00 H new ATOM 0 HB VAL A 87 0.707 -8.932 -7.014 1.00 0.00 H new ATOM 0 HG11 VAL A 87 1.778 -8.331 -4.861 1.00 0.00 H new ATOM 0 HG12 VAL A 87 2.588 -7.527 -6.227 1.00 0.00 H new ATOM 0 HG13 VAL A 87 1.471 -6.609 -5.190 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -0.663 -8.787 -4.954 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -0.977 -7.067 -5.286 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -1.607 -8.315 -6.387 1.00 0.00 H new ATOM 1435 N GLU A 88 -1.217 -8.424 -8.733 1.00 0.00 N ATOM 1436 CA GLU A 88 -2.453 -8.731 -9.513 1.00 0.00 C ATOM 1437 C GLU A 88 -3.125 -10.022 -9.018 1.00 0.00 C ATOM 1438 O GLU A 88 -4.306 -10.218 -9.225 1.00 0.00 O ATOM 1439 CB GLU A 88 -2.088 -8.889 -10.990 1.00 0.00 C ATOM 1440 CG GLU A 88 -1.264 -7.682 -11.443 1.00 0.00 C ATOM 1441 CD GLU A 88 -0.944 -7.811 -12.934 1.00 0.00 C ATOM 1442 OE1 GLU A 88 -0.720 -8.925 -13.377 1.00 0.00 O ATOM 1443 OE2 GLU A 88 -0.929 -6.793 -13.606 1.00 0.00 O ATOM 0 H GLU A 88 -0.652 -9.232 -8.473 1.00 0.00 H new ATOM 0 HA GLU A 88 -3.155 -7.908 -9.378 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -1.520 -9.807 -11.139 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -2.993 -8.972 -11.592 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -1.817 -6.761 -11.257 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -0.341 -7.622 -10.866 1.00 0.00 H new ATOM 1450 N ARG A 89 -2.407 -10.916 -8.386 1.00 0.00 N ATOM 1451 CA ARG A 89 -3.062 -12.176 -7.924 1.00 0.00 C ATOM 1452 C ARG A 89 -2.238 -12.839 -6.817 1.00 0.00 C ATOM 1453 O ARG A 89 -1.340 -12.241 -6.275 1.00 0.00 O ATOM 1454 CB ARG A 89 -3.201 -13.135 -9.110 1.00 0.00 C ATOM 1455 CG ARG A 89 -1.915 -13.118 -9.939 1.00 0.00 C ATOM 1456 CD ARG A 89 -2.254 -12.821 -11.401 1.00 0.00 C ATOM 1457 NE ARG A 89 -3.060 -13.941 -11.968 1.00 0.00 N ATOM 1458 CZ ARG A 89 -2.809 -15.173 -11.614 1.00 0.00 C ATOM 1459 NH1 ARG A 89 -1.619 -15.673 -11.801 1.00 0.00 N ATOM 1460 NH2 ARG A 89 -3.747 -15.902 -11.074 1.00 0.00 N ATOM 0 H ARG A 89 -1.413 -10.831 -8.173 1.00 0.00 H new ATOM 0 HA ARG A 89 -4.047 -11.936 -7.523 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -3.401 -14.145 -8.752 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -4.049 -12.842 -9.730 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -1.231 -12.363 -9.553 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -1.406 -14.079 -9.861 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -2.811 -11.887 -11.473 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -1.338 -12.691 -11.978 1.00 0.00 H new ATOM 0 HE ARG A 89 -3.808 -13.744 -12.633 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -0.887 -15.102 -12.223 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -1.421 -16.635 -11.525 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -4.677 -15.510 -10.928 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -3.550 -16.864 -10.798 1.00 0.00 H new ATOM 1474 N TRP A 90 -2.554 -14.075 -6.493 1.00 0.00 N ATOM 1475 CA TRP A 90 -1.804 -14.827 -5.433 1.00 0.00 C ATOM 1476 C TRP A 90 -2.652 -15.967 -4.896 1.00 0.00 C ATOM 1477 O TRP A 90 -3.826 -16.099 -5.182 1.00 0.00 O ATOM 1478 CB TRP A 90 -1.438 -13.952 -4.239 1.00 0.00 C ATOM 1479 CG TRP A 90 -2.678 -13.591 -3.489 1.00 0.00 C ATOM 1480 CD1 TRP A 90 -3.247 -14.363 -2.537 1.00 0.00 C ATOM 1481 CD2 TRP A 90 -3.513 -12.407 -3.611 1.00 0.00 C ATOM 1482 NE1 TRP A 90 -4.377 -13.730 -2.064 1.00 0.00 N ATOM 1483 CE2 TRP A 90 -4.586 -12.519 -2.694 1.00 0.00 C ATOM 1484 CE3 TRP A 90 -3.447 -11.258 -4.415 1.00 0.00 C ATOM 1485 CZ2 TRP A 90 -5.559 -11.525 -2.583 1.00 0.00 C ATOM 1486 CZ3 TRP A 90 -4.421 -10.257 -4.305 1.00 0.00 C ATOM 1487 CH2 TRP A 90 -5.476 -10.389 -3.392 1.00 0.00 C ATOM 0 H TRP A 90 -3.313 -14.601 -6.926 1.00 0.00 H new ATOM 0 HA TRP A 90 -0.894 -15.188 -5.912 1.00 0.00 H new ATOM 0 HB2 TRP A 90 -0.746 -14.482 -3.585 1.00 0.00 H new ATOM 0 HB3 TRP A 90 -0.929 -13.050 -4.578 1.00 0.00 H new ATOM 0 HD1 TRP A 90 -2.877 -15.320 -2.201 1.00 0.00 H new ATOM 0 HE1 TRP A 90 -4.984 -14.110 -1.338 1.00 0.00 H new ATOM 0 HE3 TRP A 90 -2.640 -11.145 -5.123 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 -6.370 -11.633 -1.878 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 -4.358 -9.377 -4.928 1.00 0.00 H new ATOM 0 HH2 TRP A 90 -6.224 -9.614 -3.314 1.00 0.00 H new ATOM 1498 N GLU A 91 -2.037 -16.775 -4.095 1.00 0.00 N ATOM 1499 CA GLU A 91 -2.740 -17.927 -3.472 1.00 0.00 C ATOM 1500 C GLU A 91 -2.872 -17.698 -1.962 1.00 0.00 C ATOM 1501 O GLU A 91 -3.960 -17.605 -1.428 1.00 0.00 O ATOM 1502 CB GLU A 91 -1.923 -19.191 -3.707 1.00 0.00 C ATOM 1503 CG GLU A 91 -2.667 -20.385 -3.123 1.00 0.00 C ATOM 1504 CD GLU A 91 -2.382 -21.630 -3.966 1.00 0.00 C ATOM 1505 OE1 GLU A 91 -1.252 -22.088 -3.947 1.00 0.00 O ATOM 1506 OE2 GLU A 91 -3.300 -22.102 -4.615 1.00 0.00 O ATOM 0 H GLU A 91 -1.054 -16.688 -3.837 1.00 0.00 H new ATOM 0 HA GLU A 91 -3.731 -18.029 -3.914 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -1.757 -19.338 -4.774 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -0.942 -19.096 -3.242 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -2.355 -20.552 -2.092 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -3.738 -20.184 -3.103 1.00 0.00 H new ATOM 1513 N GLY A 92 -1.764 -17.623 -1.272 1.00 0.00 N ATOM 1514 CA GLY A 92 -1.806 -17.419 0.206 1.00 0.00 C ATOM 1515 C GLY A 92 -2.586 -16.147 0.549 1.00 0.00 C ATOM 1516 O GLY A 92 -3.415 -15.689 -0.210 1.00 0.00 O ATOM 0 H GLY A 92 -0.828 -17.695 -1.671 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -2.273 -18.280 0.685 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -0.792 -17.348 0.598 1.00 0.00 H new ATOM 1520 N GLU A 93 -2.326 -15.578 1.697 1.00 0.00 N ATOM 1521 CA GLU A 93 -3.048 -14.347 2.103 1.00 0.00 C ATOM 1522 C GLU A 93 -2.108 -13.139 1.972 1.00 0.00 C ATOM 1523 O GLU A 93 -1.018 -13.161 2.488 1.00 0.00 O ATOM 1524 CB GLU A 93 -3.496 -14.482 3.560 1.00 0.00 C ATOM 1525 CG GLU A 93 -2.499 -15.331 4.355 1.00 0.00 C ATOM 1526 CD GLU A 93 -2.923 -16.803 4.310 1.00 0.00 C ATOM 1527 OE1 GLU A 93 -2.774 -17.414 3.266 1.00 0.00 O ATOM 1528 OE2 GLU A 93 -3.388 -17.293 5.326 1.00 0.00 O ATOM 0 H GLU A 93 -1.640 -15.919 2.371 1.00 0.00 H new ATOM 0 HA GLU A 93 -3.918 -14.205 1.462 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -3.582 -13.494 4.012 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -4.485 -14.939 3.601 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -1.498 -15.218 3.939 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -2.456 -14.986 5.388 1.00 0.00 H new ATOM 1535 N PRO A 94 -2.557 -12.123 1.285 1.00 0.00 N ATOM 1536 CA PRO A 94 -1.760 -10.898 1.068 1.00 0.00 C ATOM 1537 C PRO A 94 -1.112 -10.393 2.368 1.00 0.00 C ATOM 1538 O PRO A 94 -1.677 -10.487 3.439 1.00 0.00 O ATOM 1539 CB PRO A 94 -2.772 -9.883 0.520 1.00 0.00 C ATOM 1540 CG PRO A 94 -4.059 -10.663 0.158 1.00 0.00 C ATOM 1541 CD PRO A 94 -3.899 -12.096 0.680 1.00 0.00 C ATOM 0 HA PRO A 94 -0.926 -11.070 0.387 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -2.985 -9.114 1.263 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -2.371 -9.376 -0.358 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -4.932 -10.188 0.605 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -4.215 -10.664 -0.921 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -4.669 -12.340 1.412 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -3.985 -12.824 -0.127 1.00 0.00 H new ATOM 1549 N TRP A 95 0.075 -9.846 2.259 1.00 0.00 N ATOM 1550 CA TRP A 95 0.792 -9.310 3.444 1.00 0.00 C ATOM 1551 C TRP A 95 0.770 -7.789 3.369 1.00 0.00 C ATOM 1552 O TRP A 95 0.066 -7.205 2.570 1.00 0.00 O ATOM 1553 CB TRP A 95 2.252 -9.775 3.406 1.00 0.00 C ATOM 1554 CG TRP A 95 2.755 -9.697 2.000 1.00 0.00 C ATOM 1555 CD1 TRP A 95 2.927 -10.756 1.185 1.00 0.00 C ATOM 1556 CD2 TRP A 95 3.149 -8.524 1.233 1.00 0.00 C ATOM 1557 NE1 TRP A 95 3.392 -10.316 -0.034 1.00 0.00 N ATOM 1558 CE2 TRP A 95 3.550 -8.943 -0.056 1.00 0.00 C ATOM 1559 CE3 TRP A 95 3.196 -7.153 1.529 1.00 0.00 C ATOM 1560 CZ2 TRP A 95 3.983 -8.028 -1.020 1.00 0.00 C ATOM 1561 CZ3 TRP A 95 3.630 -6.230 0.566 1.00 0.00 C ATOM 1562 CH2 TRP A 95 4.022 -6.666 -0.707 1.00 0.00 C ATOM 0 H TRP A 95 0.581 -9.750 1.379 1.00 0.00 H new ATOM 0 HA TRP A 95 0.314 -9.661 4.359 1.00 0.00 H new ATOM 0 HB2 TRP A 95 2.862 -9.151 4.059 1.00 0.00 H new ATOM 0 HB3 TRP A 95 2.331 -10.797 3.777 1.00 0.00 H new ATOM 0 HD1 TRP A 95 2.731 -11.786 1.446 1.00 0.00 H new ATOM 0 HE1 TRP A 95 3.595 -10.928 -0.824 1.00 0.00 H new ATOM 0 HE3 TRP A 95 2.895 -6.806 2.506 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 4.285 -8.370 -1.999 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 3.662 -5.178 0.807 1.00 0.00 H new ATOM 0 HH2 TRP A 95 4.354 -5.951 -1.445 1.00 0.00 H new ATOM 1573 N GLY A 96 1.550 -7.143 4.179 1.00 0.00 N ATOM 1574 CA GLY A 96 1.592 -5.662 4.139 1.00 0.00 C ATOM 1575 C GLY A 96 2.175 -5.144 5.449 1.00 0.00 C ATOM 1576 O GLY A 96 3.375 -5.080 5.628 1.00 0.00 O ATOM 0 H GLY A 96 2.162 -7.577 4.869 1.00 0.00 H new ATOM 0 HA2 GLY A 96 2.199 -5.326 3.298 1.00 0.00 H new ATOM 0 HA3 GLY A 96 0.589 -5.261 3.989 1.00 0.00 H new ATOM 1580 N LYS A 97 1.333 -4.785 6.367 1.00 0.00 N ATOM 1581 CA LYS A 97 1.830 -4.279 7.677 1.00 0.00 C ATOM 1582 C LYS A 97 1.354 -5.214 8.793 1.00 0.00 C ATOM 1583 O LYS A 97 0.227 -5.668 8.796 1.00 0.00 O ATOM 1584 CB LYS A 97 1.283 -2.870 7.921 1.00 0.00 C ATOM 1585 CG LYS A 97 1.489 -2.486 9.387 1.00 0.00 C ATOM 1586 CD LYS A 97 2.218 -1.146 9.465 1.00 0.00 C ATOM 1587 CE LYS A 97 3.695 -1.387 9.776 1.00 0.00 C ATOM 1588 NZ LYS A 97 4.048 -0.716 11.059 1.00 0.00 N ATOM 0 H LYS A 97 0.318 -4.818 6.271 1.00 0.00 H new ATOM 0 HA LYS A 97 2.919 -4.247 7.668 1.00 0.00 H new ATOM 0 HB2 LYS A 97 1.790 -2.155 7.273 1.00 0.00 H new ATOM 0 HB3 LYS A 97 0.223 -2.832 7.670 1.00 0.00 H new ATOM 0 HG2 LYS A 97 0.527 -2.419 9.895 1.00 0.00 H new ATOM 0 HG3 LYS A 97 2.066 -3.256 9.898 1.00 0.00 H new ATOM 0 HD2 LYS A 97 2.117 -0.609 8.522 1.00 0.00 H new ATOM 0 HD3 LYS A 97 1.770 -0.521 10.237 1.00 0.00 H new ATOM 0 HE2 LYS A 97 3.893 -2.457 9.846 1.00 0.00 H new ATOM 0 HE3 LYS A 97 4.316 -1.000 8.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 5.053 -0.880 11.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 3.874 0.306 10.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 3.464 -1.105 11.827 1.00 0.00 H new ATOM 1602 N GLU A 98 2.201 -5.503 9.744 1.00 0.00 N ATOM 1603 CA GLU A 98 1.788 -6.402 10.857 1.00 0.00 C ATOM 1604 C GLU A 98 1.253 -5.557 12.014 1.00 0.00 C ATOM 1605 O GLU A 98 1.858 -5.463 13.064 1.00 0.00 O ATOM 1606 CB GLU A 98 2.988 -7.224 11.333 1.00 0.00 C ATOM 1607 CG GLU A 98 2.490 -8.469 12.067 1.00 0.00 C ATOM 1608 CD GLU A 98 2.279 -8.139 13.545 1.00 0.00 C ATOM 1609 OE1 GLU A 98 2.998 -7.292 14.050 1.00 0.00 O ATOM 1610 OE2 GLU A 98 1.402 -8.737 14.145 1.00 0.00 O ATOM 0 H GLU A 98 3.159 -5.156 9.797 1.00 0.00 H new ATOM 0 HA GLU A 98 1.009 -7.080 10.507 1.00 0.00 H new ATOM 0 HB2 GLU A 98 3.606 -7.512 10.483 1.00 0.00 H new ATOM 0 HB3 GLU A 98 3.615 -6.625 11.994 1.00 0.00 H new ATOM 0 HG2 GLU A 98 1.557 -8.816 11.624 1.00 0.00 H new ATOM 0 HG3 GLU A 98 3.213 -9.279 11.964 1.00 0.00 H new ATOM 1617 N GLY A 99 0.120 -4.940 11.825 1.00 0.00 N ATOM 1618 CA GLY A 99 -0.469 -4.096 12.903 1.00 0.00 C ATOM 1619 C GLY A 99 -1.719 -3.405 12.372 1.00 0.00 C ATOM 1620 O GLY A 99 -2.666 -3.160 13.093 1.00 0.00 O ATOM 0 H GLY A 99 -0.427 -4.984 10.965 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -0.719 -4.711 13.768 1.00 0.00 H new ATOM 0 HA3 GLY A 99 0.256 -3.355 13.238 1.00 0.00 H new ATOM 1624 N GLN A 100 -1.727 -3.101 11.111 1.00 0.00 N ATOM 1625 CA GLN A 100 -2.911 -2.437 10.501 1.00 0.00 C ATOM 1626 C GLN A 100 -3.840 -3.515 9.928 1.00 0.00 C ATOM 1627 O GLN A 100 -3.493 -4.171 8.967 1.00 0.00 O ATOM 1628 CB GLN A 100 -2.447 -1.511 9.377 1.00 0.00 C ATOM 1629 CG GLN A 100 -2.848 -0.074 9.709 1.00 0.00 C ATOM 1630 CD GLN A 100 -1.601 0.739 10.058 1.00 0.00 C ATOM 1631 OE1 GLN A 100 -0.964 1.301 9.189 1.00 0.00 O ATOM 1632 NE2 GLN A 100 -1.222 0.826 11.304 1.00 0.00 N ATOM 0 H GLN A 100 -0.958 -3.285 10.467 1.00 0.00 H new ATOM 0 HA GLN A 100 -3.442 -1.853 11.253 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -1.366 -1.580 9.256 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -2.894 -1.816 8.431 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -3.362 0.376 8.860 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -3.546 -0.065 10.546 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -1.756 0.354 12.034 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -0.391 1.366 11.548 1.00 0.00 H new ATOM 1641 N PRO A 101 -4.989 -3.679 10.541 1.00 0.00 N ATOM 1642 CA PRO A 101 -5.971 -4.692 10.107 1.00 0.00 C ATOM 1643 C PRO A 101 -6.477 -4.393 8.692 1.00 0.00 C ATOM 1644 O PRO A 101 -7.539 -3.830 8.511 1.00 0.00 O ATOM 1645 CB PRO A 101 -7.121 -4.583 11.118 1.00 0.00 C ATOM 1646 CG PRO A 101 -6.796 -3.408 12.074 1.00 0.00 C ATOM 1647 CD PRO A 101 -5.402 -2.877 11.706 1.00 0.00 C ATOM 0 HA PRO A 101 -5.537 -5.691 10.076 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -8.067 -4.408 10.605 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -7.229 -5.513 11.677 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -7.543 -2.620 11.979 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -6.816 -3.742 13.111 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -5.435 -1.815 11.463 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -4.703 -2.993 12.534 1.00 0.00 H new ATOM 1655 N GLY A 102 -5.739 -4.780 7.687 1.00 0.00 N ATOM 1656 CA GLY A 102 -6.201 -4.527 6.291 1.00 0.00 C ATOM 1657 C GLY A 102 -7.110 -5.679 5.868 1.00 0.00 C ATOM 1658 O GLY A 102 -7.220 -6.667 6.566 1.00 0.00 O ATOM 0 H GLY A 102 -4.842 -5.258 7.770 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -6.738 -3.580 6.235 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -5.348 -4.450 5.617 1.00 0.00 H new ATOM 1662 N GLU A 103 -7.779 -5.577 4.749 1.00 0.00 N ATOM 1663 CA GLU A 103 -8.677 -6.705 4.356 1.00 0.00 C ATOM 1664 C GLU A 103 -9.017 -6.658 2.864 1.00 0.00 C ATOM 1665 O GLU A 103 -8.696 -5.719 2.164 1.00 0.00 O ATOM 1666 CB GLU A 103 -9.971 -6.625 5.171 1.00 0.00 C ATOM 1667 CG GLU A 103 -10.777 -5.398 4.736 1.00 0.00 C ATOM 1668 CD GLU A 103 -11.005 -4.485 5.941 1.00 0.00 C ATOM 1669 OE1 GLU A 103 -11.024 -4.995 7.050 1.00 0.00 O ATOM 1670 OE2 GLU A 103 -11.155 -3.292 5.736 1.00 0.00 O ATOM 0 H GLU A 103 -7.746 -4.786 4.106 1.00 0.00 H new ATOM 0 HA GLU A 103 -8.156 -7.641 4.556 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -10.561 -7.530 5.026 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -9.740 -6.562 6.234 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -10.244 -4.858 3.953 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -11.733 -5.708 4.315 1.00 0.00 H new ATOM 1677 N TRP A 104 -9.680 -7.681 2.386 1.00 0.00 N ATOM 1678 CA TRP A 104 -10.070 -7.733 0.948 1.00 0.00 C ATOM 1679 C TRP A 104 -11.388 -6.978 0.756 1.00 0.00 C ATOM 1680 O TRP A 104 -12.443 -7.439 1.145 1.00 0.00 O ATOM 1681 CB TRP A 104 -10.244 -9.195 0.529 1.00 0.00 C ATOM 1682 CG TRP A 104 -9.125 -10.001 1.104 1.00 0.00 C ATOM 1683 CD1 TRP A 104 -7.847 -9.576 1.216 1.00 0.00 C ATOM 1684 CD2 TRP A 104 -9.157 -11.352 1.649 1.00 0.00 C ATOM 1685 NE1 TRP A 104 -7.091 -10.578 1.796 1.00 0.00 N ATOM 1686 CE2 TRP A 104 -7.853 -11.694 2.079 1.00 0.00 C ATOM 1687 CE3 TRP A 104 -10.179 -12.306 1.808 1.00 0.00 C ATOM 1688 CZ2 TRP A 104 -7.573 -12.937 2.649 1.00 0.00 C ATOM 1689 CZ3 TRP A 104 -9.900 -13.557 2.382 1.00 0.00 C ATOM 1690 CH2 TRP A 104 -8.600 -13.872 2.801 1.00 0.00 C ATOM 0 H TRP A 104 -9.969 -8.489 2.938 1.00 0.00 H new ATOM 0 HA TRP A 104 -9.297 -7.270 0.335 1.00 0.00 H new ATOM 0 HB2 TRP A 104 -11.203 -9.576 0.881 1.00 0.00 H new ATOM 0 HB3 TRP A 104 -10.248 -9.277 -0.558 1.00 0.00 H new ATOM 0 HD1 TRP A 104 -7.477 -8.611 0.903 1.00 0.00 H new ATOM 0 HE1 TRP A 104 -6.093 -10.502 1.991 1.00 0.00 H new ATOM 0 HE3 TRP A 104 -11.184 -12.075 1.487 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 -6.570 -13.174 2.970 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 -10.692 -14.281 2.501 1.00 0.00 H new ATOM 0 HH2 TRP A 104 -8.392 -14.836 3.241 1.00 0.00 H new ATOM 1701 N MET A 105 -11.332 -5.817 0.166 1.00 0.00 N ATOM 1702 CA MET A 105 -12.571 -5.020 -0.048 1.00 0.00 C ATOM 1703 C MET A 105 -12.932 -5.046 -1.537 1.00 0.00 C ATOM 1704 O MET A 105 -12.084 -4.904 -2.395 1.00 0.00 O ATOM 1705 CB MET A 105 -12.306 -3.581 0.438 1.00 0.00 C ATOM 1706 CG MET A 105 -13.093 -2.549 -0.384 1.00 0.00 C ATOM 1707 SD MET A 105 -12.392 -0.903 -0.100 1.00 0.00 S ATOM 1708 CE MET A 105 -10.755 -1.219 -0.811 1.00 0.00 C ATOM 0 H MET A 105 -10.476 -5.384 -0.179 1.00 0.00 H new ATOM 0 HA MET A 105 -13.409 -5.436 0.511 1.00 0.00 H new ATOM 0 HB2 MET A 105 -12.582 -3.495 1.489 1.00 0.00 H new ATOM 0 HB3 MET A 105 -11.240 -3.364 0.369 1.00 0.00 H new ATOM 0 HG2 MET A 105 -13.047 -2.799 -1.444 1.00 0.00 H new ATOM 0 HG3 MET A 105 -14.145 -2.564 -0.098 1.00 0.00 H new ATOM 0 HE1 MET A 105 -10.252 -0.271 -1.001 1.00 0.00 H new ATOM 0 HE2 MET A 105 -10.163 -1.811 -0.113 1.00 0.00 H new ATOM 0 HE3 MET A 105 -10.865 -1.765 -1.748 1.00 0.00 H new ATOM 1718 N SER A 106 -14.187 -5.228 -1.849 1.00 0.00 N ATOM 1719 CA SER A 106 -14.607 -5.263 -3.274 1.00 0.00 C ATOM 1720 C SER A 106 -15.056 -3.865 -3.705 1.00 0.00 C ATOM 1721 O SER A 106 -16.224 -3.534 -3.657 1.00 0.00 O ATOM 1722 CB SER A 106 -15.767 -6.243 -3.424 1.00 0.00 C ATOM 1723 OG SER A 106 -16.298 -6.545 -2.141 1.00 0.00 O ATOM 0 H SER A 106 -14.940 -5.354 -1.173 1.00 0.00 H new ATOM 0 HA SER A 106 -13.774 -5.582 -3.900 1.00 0.00 H new ATOM 0 HB2 SER A 106 -16.542 -5.812 -4.058 1.00 0.00 H new ATOM 0 HB3 SER A 106 -15.426 -7.156 -3.913 1.00 0.00 H new ATOM 0 HG SER A 106 -15.794 -7.286 -1.744 1.00 0.00 H new ATOM 1729 N LEU A 107 -14.136 -3.040 -4.121 1.00 0.00 N ATOM 1730 CA LEU A 107 -14.515 -1.662 -4.549 1.00 0.00 C ATOM 1731 C LEU A 107 -15.140 -1.712 -5.944 1.00 0.00 C ATOM 1732 O LEU A 107 -16.222 -1.208 -6.166 1.00 0.00 O ATOM 1733 CB LEU A 107 -13.268 -0.776 -4.581 1.00 0.00 C ATOM 1734 CG LEU A 107 -13.396 0.322 -3.523 1.00 0.00 C ATOM 1735 CD1 LEU A 107 -12.104 1.137 -3.476 1.00 0.00 C ATOM 1736 CD2 LEU A 107 -14.563 1.244 -3.883 1.00 0.00 C ATOM 0 H LEU A 107 -13.142 -3.258 -4.184 1.00 0.00 H new ATOM 0 HA LEU A 107 -15.236 -1.250 -3.843 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -12.378 -1.376 -4.392 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -13.150 -0.332 -5.569 1.00 0.00 H new ATOM 0 HG LEU A 107 -13.577 -0.133 -2.549 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -12.195 1.919 -2.722 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -11.270 0.483 -3.221 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -11.925 1.591 -4.451 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -14.654 2.026 -3.129 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -14.381 1.698 -4.857 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -15.486 0.665 -3.919 1.00 0.00 H new ATOM 1748 N VAL A 108 -14.466 -2.318 -6.882 1.00 0.00 N ATOM 1749 CA VAL A 108 -15.011 -2.409 -8.263 1.00 0.00 C ATOM 1750 C VAL A 108 -14.923 -1.029 -8.913 1.00 0.00 C ATOM 1751 O VAL A 108 -15.691 -0.675 -9.786 1.00 0.00 O ATOM 1752 CB VAL A 108 -16.452 -2.925 -8.168 1.00 0.00 C ATOM 1753 CG1 VAL A 108 -17.480 -1.794 -8.334 1.00 0.00 C ATOM 1754 CG2 VAL A 108 -16.683 -3.983 -9.250 1.00 0.00 C ATOM 0 H VAL A 108 -13.555 -2.757 -6.749 1.00 0.00 H new ATOM 0 HA VAL A 108 -14.443 -3.101 -8.885 1.00 0.00 H new ATOM 0 HB VAL A 108 -16.588 -3.356 -7.176 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -18.487 -2.204 -8.260 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -17.332 -1.050 -7.551 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -17.350 -1.325 -9.309 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -17.707 -4.352 -9.185 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -16.518 -3.541 -10.232 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -15.989 -4.811 -9.104 1.00 0.00 H new ATOM 1764 N GLY A 109 -13.979 -0.254 -8.470 1.00 0.00 N ATOM 1765 CA GLY A 109 -13.789 1.116 -9.011 1.00 0.00 C ATOM 1766 C GLY A 109 -12.908 1.880 -8.029 1.00 0.00 C ATOM 1767 O GLY A 109 -13.236 2.967 -7.596 1.00 0.00 O ATOM 0 H GLY A 109 -13.317 -0.518 -7.740 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -13.322 1.078 -9.995 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -14.750 1.616 -9.133 1.00 0.00 H new ATOM 1771 N LEU A 110 -11.796 1.298 -7.659 1.00 0.00 N ATOM 1772 CA LEU A 110 -10.879 1.948 -6.688 1.00 0.00 C ATOM 1773 C LEU A 110 -10.829 3.458 -6.945 1.00 0.00 C ATOM 1774 O LEU A 110 -10.891 3.906 -8.074 1.00 0.00 O ATOM 1775 CB LEU A 110 -9.481 1.354 -6.861 1.00 0.00 C ATOM 1776 CG LEU A 110 -9.043 0.680 -5.561 1.00 0.00 C ATOM 1777 CD1 LEU A 110 -7.789 -0.158 -5.819 1.00 0.00 C ATOM 1778 CD2 LEU A 110 -8.733 1.748 -4.509 1.00 0.00 C ATOM 0 H LEU A 110 -11.484 0.387 -7.996 1.00 0.00 H new ATOM 0 HA LEU A 110 -11.237 1.775 -5.673 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -9.481 0.629 -7.675 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -8.773 2.138 -7.132 1.00 0.00 H new ATOM 0 HG LEU A 110 -9.845 0.036 -5.199 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -7.476 -0.639 -4.892 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -8.008 -0.920 -6.567 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -6.989 0.487 -6.181 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -8.421 1.266 -3.582 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -7.932 2.393 -4.870 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -9.625 2.346 -4.324 1.00 0.00 H new ATOM 1790 N ASN A 111 -10.719 4.248 -5.910 1.00 0.00 N ATOM 1791 CA ASN A 111 -10.668 5.728 -6.101 1.00 0.00 C ATOM 1792 C ASN A 111 -9.974 6.382 -4.903 1.00 0.00 C ATOM 1793 O ASN A 111 -10.008 5.875 -3.800 1.00 0.00 O ATOM 1794 CB ASN A 111 -12.092 6.279 -6.221 1.00 0.00 C ATOM 1795 CG ASN A 111 -12.110 7.432 -7.228 1.00 0.00 C ATOM 1796 OD1 ASN A 111 -12.128 7.209 -8.422 1.00 0.00 O ATOM 1797 ND2 ASN A 111 -12.109 8.663 -6.795 1.00 0.00 N ATOM 0 H ASN A 111 -10.662 3.933 -4.941 1.00 0.00 H new ATOM 0 HA ASN A 111 -10.110 5.951 -7.010 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -12.773 5.491 -6.543 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -12.442 6.626 -5.249 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -12.123 9.437 -7.459 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -12.094 8.851 -5.793 1.00 0.00 H new ATOM 1804 N ALA A 112 -9.348 7.511 -5.112 1.00 0.00 N ATOM 1805 CA ALA A 112 -8.657 8.205 -3.986 1.00 0.00 C ATOM 1806 C ALA A 112 -9.701 8.730 -2.994 1.00 0.00 C ATOM 1807 O ALA A 112 -9.374 9.221 -1.933 1.00 0.00 O ATOM 1808 CB ALA A 112 -7.852 9.386 -4.532 1.00 0.00 C ATOM 0 H ALA A 112 -9.286 7.982 -6.014 1.00 0.00 H new ATOM 0 HA ALA A 112 -7.990 7.504 -3.485 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -7.347 9.893 -3.710 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -7.111 9.023 -5.244 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -8.524 10.084 -5.031 1.00 0.00 H new ATOM 1814 N ASP A 113 -10.955 8.638 -3.339 1.00 0.00 N ATOM 1815 CA ASP A 113 -12.023 9.134 -2.435 1.00 0.00 C ATOM 1816 C ASP A 113 -11.982 8.372 -1.115 1.00 0.00 C ATOM 1817 O ASP A 113 -12.110 8.943 -0.051 1.00 0.00 O ATOM 1818 CB ASP A 113 -13.371 8.904 -3.105 1.00 0.00 C ATOM 1819 CG ASP A 113 -14.385 9.931 -2.600 1.00 0.00 C ATOM 1820 OD1 ASP A 113 -14.953 9.705 -1.544 1.00 0.00 O ATOM 1821 OD2 ASP A 113 -14.578 10.927 -3.278 1.00 0.00 O ATOM 0 H ASP A 113 -11.286 8.237 -4.216 1.00 0.00 H new ATOM 0 HA ASP A 113 -11.873 10.195 -2.238 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -13.267 8.984 -4.187 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -13.725 7.895 -2.892 1.00 0.00 H new ATOM 1826 N ASP A 114 -11.803 7.084 -1.173 1.00 0.00 N ATOM 1827 CA ASP A 114 -11.756 6.291 0.081 1.00 0.00 C ATOM 1828 C ASP A 114 -10.378 6.443 0.716 1.00 0.00 C ATOM 1829 O ASP A 114 -10.152 6.029 1.834 1.00 0.00 O ATOM 1830 CB ASP A 114 -12.014 4.816 -0.234 1.00 0.00 C ATOM 1831 CG ASP A 114 -13.134 4.290 0.664 1.00 0.00 C ATOM 1832 OD1 ASP A 114 -14.182 4.915 0.701 1.00 0.00 O ATOM 1833 OD2 ASP A 114 -12.926 3.271 1.301 1.00 0.00 O ATOM 0 H ASP A 114 -11.688 6.548 -2.033 1.00 0.00 H new ATOM 0 HA ASP A 114 -12.520 6.650 0.770 1.00 0.00 H new ATOM 0 HB2 ASP A 114 -12.289 4.700 -1.282 1.00 0.00 H new ATOM 0 HB3 ASP A 114 -11.105 4.235 -0.077 1.00 0.00 H new ATOM 1838 N PHE A 115 -9.451 7.040 0.021 1.00 0.00 N ATOM 1839 CA PHE A 115 -8.095 7.207 0.616 1.00 0.00 C ATOM 1840 C PHE A 115 -7.962 8.620 1.195 1.00 0.00 C ATOM 1841 O PHE A 115 -8.403 9.578 0.590 1.00 0.00 O ATOM 1842 CB PHE A 115 -7.023 6.963 -0.445 1.00 0.00 C ATOM 1843 CG PHE A 115 -6.632 5.504 -0.409 1.00 0.00 C ATOM 1844 CD1 PHE A 115 -7.425 4.556 -1.066 1.00 0.00 C ATOM 1845 CD2 PHE A 115 -5.490 5.096 0.295 1.00 0.00 C ATOM 1846 CE1 PHE A 115 -7.077 3.203 -1.026 1.00 0.00 C ATOM 1847 CE2 PHE A 115 -5.143 3.739 0.336 1.00 0.00 C ATOM 1848 CZ PHE A 115 -5.937 2.793 -0.323 1.00 0.00 C ATOM 0 H PHE A 115 -9.570 7.415 -0.920 1.00 0.00 H new ATOM 0 HA PHE A 115 -7.959 6.480 1.417 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -7.400 7.229 -1.432 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -6.153 7.592 -0.256 1.00 0.00 H new ATOM 0 HD1 PHE A 115 -8.307 4.870 -1.604 1.00 0.00 H new ATOM 0 HD2 PHE A 115 -4.879 5.826 0.805 1.00 0.00 H new ATOM 0 HE1 PHE A 115 -7.687 2.473 -1.537 1.00 0.00 H new ATOM 0 HE2 PHE A 115 -4.263 3.423 0.876 1.00 0.00 H new ATOM 0 HZ PHE A 115 -5.671 1.747 -0.289 1.00 0.00 H new ATOM 1858 N PRO A 116 -7.375 8.704 2.367 1.00 0.00 N ATOM 1859 CA PRO A 116 -7.196 9.989 3.067 1.00 0.00 C ATOM 1860 C PRO A 116 -6.180 10.865 2.320 1.00 0.00 C ATOM 1861 O PRO A 116 -5.448 10.383 1.480 1.00 0.00 O ATOM 1862 CB PRO A 116 -6.669 9.599 4.457 1.00 0.00 C ATOM 1863 CG PRO A 116 -6.437 8.068 4.466 1.00 0.00 C ATOM 1864 CD PRO A 116 -6.843 7.531 3.087 1.00 0.00 C ATOM 0 HA PRO A 116 -8.118 10.568 3.126 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -5.741 10.127 4.675 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -7.385 9.881 5.229 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -5.391 7.840 4.673 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -7.028 7.595 5.251 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -5.990 7.099 2.564 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -7.594 6.746 3.174 1.00 0.00 H new ATOM 1872 N PRO A 117 -6.174 12.134 2.650 1.00 0.00 N ATOM 1873 CA PRO A 117 -5.264 13.111 2.020 1.00 0.00 C ATOM 1874 C PRO A 117 -3.806 12.758 2.326 1.00 0.00 C ATOM 1875 O PRO A 117 -3.393 12.736 3.469 1.00 0.00 O ATOM 1876 CB PRO A 117 -5.630 14.458 2.658 1.00 0.00 C ATOM 1877 CG PRO A 117 -6.730 14.194 3.718 1.00 0.00 C ATOM 1878 CD PRO A 117 -7.074 12.698 3.673 1.00 0.00 C ATOM 0 HA PRO A 117 -5.365 13.126 0.935 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -4.754 14.913 3.121 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -5.988 15.155 1.901 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -6.380 14.476 4.711 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -7.614 14.796 3.509 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -6.915 12.226 4.643 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -8.120 12.541 3.410 1.00 0.00 H new ATOM 1886 N ALA A 118 -3.022 12.492 1.315 1.00 0.00 N ATOM 1887 CA ALA A 118 -1.589 12.149 1.548 1.00 0.00 C ATOM 1888 C ALA A 118 -1.014 11.454 0.312 1.00 0.00 C ATOM 1889 O ALA A 118 0.028 11.822 -0.192 1.00 0.00 O ATOM 1890 CB ALA A 118 -1.475 11.210 2.750 1.00 0.00 C ATOM 0 H ALA A 118 -3.313 12.498 0.337 1.00 0.00 H new ATOM 0 HA ALA A 118 -1.031 13.065 1.743 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -0.427 10.960 2.919 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -1.878 11.702 3.635 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -2.038 10.298 2.554 1.00 0.00 H new ATOM 1896 N ASN A 119 -1.678 10.441 -0.171 1.00 0.00 N ATOM 1897 CA ASN A 119 -1.174 9.712 -1.354 1.00 0.00 C ATOM 1898 C ASN A 119 -2.023 10.073 -2.570 1.00 0.00 C ATOM 1899 O ASN A 119 -2.324 9.249 -3.399 1.00 0.00 O ATOM 1900 CB ASN A 119 -1.278 8.221 -1.068 1.00 0.00 C ATOM 1901 CG ASN A 119 0.021 7.740 -0.424 1.00 0.00 C ATOM 1902 OD1 ASN A 119 1.072 8.301 -0.660 1.00 0.00 O ATOM 1903 ND2 ASN A 119 -0.008 6.727 0.396 1.00 0.00 N ATOM 0 H ASN A 119 -2.556 10.089 0.211 1.00 0.00 H new ATOM 0 HA ASN A 119 -0.138 9.980 -1.560 1.00 0.00 H new ATOM 0 HB2 ASN A 119 -2.121 8.024 -0.406 1.00 0.00 H new ATOM 0 HB3 ASN A 119 -1.464 7.674 -1.992 1.00 0.00 H new ATOM 0 HD21 ASN A 119 0.852 6.405 0.840 1.00 0.00 H new ATOM 0 HD22 ASN A 119 -0.891 6.256 0.594 1.00 0.00 H new ATOM 1910 N GLU A 120 -2.413 11.308 -2.672 1.00 0.00 N ATOM 1911 CA GLU A 120 -3.249 11.754 -3.826 1.00 0.00 C ATOM 1912 C GLU A 120 -2.494 11.676 -5.177 1.00 0.00 C ATOM 1913 O GLU A 120 -3.102 11.385 -6.186 1.00 0.00 O ATOM 1914 CB GLU A 120 -3.687 13.201 -3.591 1.00 0.00 C ATOM 1915 CG GLU A 120 -4.190 13.358 -2.154 1.00 0.00 C ATOM 1916 CD GLU A 120 -4.860 14.724 -1.994 1.00 0.00 C ATOM 1917 OE1 GLU A 120 -5.847 14.962 -2.669 1.00 0.00 O ATOM 1918 OE2 GLU A 120 -4.373 15.511 -1.199 1.00 0.00 O ATOM 0 H GLU A 120 -2.188 12.040 -1.999 1.00 0.00 H new ATOM 0 HA GLU A 120 -4.105 11.082 -3.887 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -2.852 13.878 -3.771 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -4.474 13.472 -4.294 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -4.898 12.564 -1.916 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -3.359 13.264 -1.454 1.00 0.00 H new ATOM 1925 N PRO A 121 -1.211 11.976 -5.181 1.00 0.00 N ATOM 1926 CA PRO A 121 -0.408 11.979 -6.424 1.00 0.00 C ATOM 1927 C PRO A 121 -0.319 10.588 -7.067 1.00 0.00 C ATOM 1928 O PRO A 121 -0.310 10.467 -8.276 1.00 0.00 O ATOM 1929 CB PRO A 121 0.984 12.459 -5.996 1.00 0.00 C ATOM 1930 CG PRO A 121 0.934 12.743 -4.475 1.00 0.00 C ATOM 1931 CD PRO A 121 -0.456 12.334 -3.973 1.00 0.00 C ATOM 0 HA PRO A 121 -0.864 12.620 -7.178 1.00 0.00 H new ATOM 0 HB2 PRO A 121 1.736 11.702 -6.220 1.00 0.00 H new ATOM 0 HB3 PRO A 121 1.264 13.358 -6.544 1.00 0.00 H new ATOM 0 HG2 PRO A 121 1.710 12.181 -3.955 1.00 0.00 H new ATOM 0 HG3 PRO A 121 1.118 13.799 -4.276 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -0.394 11.492 -3.283 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -0.937 13.151 -3.436 1.00 0.00 H new ATOM 1939 N VAL A 122 -0.245 9.535 -6.295 1.00 0.00 N ATOM 1940 CA VAL A 122 -0.153 8.188 -6.914 1.00 0.00 C ATOM 1941 C VAL A 122 -1.554 7.570 -6.913 1.00 0.00 C ATOM 1942 O VAL A 122 -1.971 6.939 -7.862 1.00 0.00 O ATOM 1943 CB VAL A 122 0.867 7.353 -6.111 1.00 0.00 C ATOM 1944 CG1 VAL A 122 0.290 6.002 -5.684 1.00 0.00 C ATOM 1945 CG2 VAL A 122 2.107 7.111 -6.972 1.00 0.00 C ATOM 0 H VAL A 122 -0.244 9.552 -5.275 1.00 0.00 H new ATOM 0 HA VAL A 122 0.195 8.229 -7.946 1.00 0.00 H new ATOM 0 HB VAL A 122 1.121 7.913 -5.211 1.00 0.00 H new ATOM 0 HG11 VAL A 122 1.041 5.447 -5.122 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -0.587 6.163 -5.057 1.00 0.00 H new ATOM 0 HG13 VAL A 122 0.005 5.432 -6.568 1.00 0.00 H new ATOM 0 HG21 VAL A 122 2.831 6.521 -6.410 1.00 0.00 H new ATOM 0 HG22 VAL A 122 1.823 6.571 -7.875 1.00 0.00 H new ATOM 0 HG23 VAL A 122 2.552 8.068 -7.246 1.00 0.00 H new ATOM 1955 N ILE A 123 -2.281 7.780 -5.857 1.00 0.00 N ATOM 1956 CA ILE A 123 -3.665 7.248 -5.760 1.00 0.00 C ATOM 1957 C ILE A 123 -4.499 7.801 -6.915 1.00 0.00 C ATOM 1958 O ILE A 123 -5.425 7.171 -7.386 1.00 0.00 O ATOM 1959 CB ILE A 123 -4.258 7.710 -4.435 1.00 0.00 C ATOM 1960 CG1 ILE A 123 -3.515 7.010 -3.298 1.00 0.00 C ATOM 1961 CG2 ILE A 123 -5.745 7.367 -4.380 1.00 0.00 C ATOM 1962 CD1 ILE A 123 -3.846 5.516 -3.302 1.00 0.00 C ATOM 0 H ILE A 123 -1.969 8.308 -5.041 1.00 0.00 H new ATOM 0 HA ILE A 123 -3.661 6.159 -5.812 1.00 0.00 H new ATOM 0 HB ILE A 123 -4.150 8.790 -4.337 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -2.440 7.154 -3.411 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -3.797 7.451 -2.342 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -6.161 7.701 -3.429 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -6.264 7.866 -5.198 1.00 0.00 H new ATOM 0 HG23 ILE A 123 -5.873 6.289 -4.473 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -3.313 5.023 -2.489 1.00 0.00 H new ATOM 0 HD12 ILE A 123 -4.919 5.381 -3.167 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -3.542 5.079 -4.253 1.00 0.00 H new ATOM 1974 N ALA A 124 -4.182 8.984 -7.364 1.00 0.00 N ATOM 1975 CA ALA A 124 -4.959 9.595 -8.479 1.00 0.00 C ATOM 1976 C ALA A 124 -4.684 8.860 -9.798 1.00 0.00 C ATOM 1977 O ALA A 124 -5.501 8.864 -10.699 1.00 0.00 O ATOM 1978 CB ALA A 124 -4.558 11.063 -8.626 1.00 0.00 C ATOM 0 H ALA A 124 -3.417 9.555 -7.006 1.00 0.00 H new ATOM 0 HA ALA A 124 -6.022 9.516 -8.250 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -5.124 11.515 -9.441 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -4.772 11.593 -7.698 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -3.492 11.129 -8.844 1.00 0.00 H new ATOM 1984 N LYS A 125 -3.541 8.245 -9.933 1.00 0.00 N ATOM 1985 CA LYS A 125 -3.225 7.535 -11.204 1.00 0.00 C ATOM 1986 C LYS A 125 -3.981 6.208 -11.279 1.00 0.00 C ATOM 1987 O LYS A 125 -4.712 5.955 -12.214 1.00 0.00 O ATOM 1988 CB LYS A 125 -1.722 7.266 -11.276 1.00 0.00 C ATOM 1989 CG LYS A 125 -1.374 6.686 -12.647 1.00 0.00 C ATOM 1990 CD LYS A 125 -0.790 7.785 -13.534 1.00 0.00 C ATOM 1991 CE LYS A 125 -0.312 7.178 -14.854 1.00 0.00 C ATOM 1992 NZ LYS A 125 0.625 8.122 -15.522 1.00 0.00 N ATOM 0 H LYS A 125 -2.814 8.204 -9.219 1.00 0.00 H new ATOM 0 HA LYS A 125 -3.531 8.162 -12.041 1.00 0.00 H new ATOM 0 HB2 LYS A 125 -1.168 8.190 -11.109 1.00 0.00 H new ATOM 0 HB3 LYS A 125 -1.428 6.571 -10.490 1.00 0.00 H new ATOM 0 HG2 LYS A 125 -0.656 5.873 -12.538 1.00 0.00 H new ATOM 0 HG3 LYS A 125 -2.265 6.264 -13.112 1.00 0.00 H new ATOM 0 HD2 LYS A 125 -1.542 8.550 -13.725 1.00 0.00 H new ATOM 0 HD3 LYS A 125 0.040 8.274 -13.025 1.00 0.00 H new ATOM 0 HE2 LYS A 125 0.184 6.225 -14.670 1.00 0.00 H new ATOM 0 HE3 LYS A 125 -1.164 6.974 -15.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 0.951 7.711 -16.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 0.137 9.021 -15.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 1.443 8.295 -14.903 1.00 0.00 H new ATOM 2006 N LEU A 126 -3.797 5.348 -10.318 1.00 0.00 N ATOM 2007 CA LEU A 126 -4.481 4.043 -10.348 1.00 0.00 C ATOM 2008 C LEU A 126 -5.961 4.186 -9.995 1.00 0.00 C ATOM 2009 O LEU A 126 -6.644 3.208 -9.782 1.00 0.00 O ATOM 2010 CB LEU A 126 -3.797 3.119 -9.353 1.00 0.00 C ATOM 2011 CG LEU A 126 -4.100 3.557 -7.918 1.00 0.00 C ATOM 2012 CD1 LEU A 126 -3.839 2.390 -6.980 1.00 0.00 C ATOM 2013 CD2 LEU A 126 -3.191 4.715 -7.513 1.00 0.00 C ATOM 0 H LEU A 126 -3.195 5.502 -9.509 1.00 0.00 H new ATOM 0 HA LEU A 126 -4.420 3.630 -11.355 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -4.137 2.095 -9.506 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -2.720 3.126 -9.522 1.00 0.00 H new ATOM 0 HG LEU A 126 -5.141 3.876 -7.859 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -4.052 2.693 -5.955 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -4.482 1.553 -7.253 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -2.795 2.086 -7.059 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -3.418 5.015 -6.490 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -2.150 4.399 -7.576 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -3.355 5.558 -8.184 1.00 0.00 H new ATOM 2025 N LYS A 127 -6.486 5.379 -9.950 1.00 0.00 N ATOM 2026 CA LYS A 127 -7.917 5.522 -9.646 1.00 0.00 C ATOM 2027 C LYS A 127 -8.681 4.568 -10.555 1.00 0.00 C ATOM 2028 O LYS A 127 -9.602 3.892 -10.145 1.00 0.00 O ATOM 2029 CB LYS A 127 -8.330 6.954 -9.948 1.00 0.00 C ATOM 2030 CG LYS A 127 -7.945 7.853 -8.777 1.00 0.00 C ATOM 2031 CD LYS A 127 -8.754 9.151 -8.838 1.00 0.00 C ATOM 2032 CE LYS A 127 -8.584 9.920 -7.526 1.00 0.00 C ATOM 2033 NZ LYS A 127 -8.705 11.383 -7.787 1.00 0.00 N ATOM 0 H LYS A 127 -5.981 6.250 -10.111 1.00 0.00 H new ATOM 0 HA LYS A 127 -8.126 5.295 -8.601 1.00 0.00 H new ATOM 0 HB2 LYS A 127 -7.844 7.299 -10.860 1.00 0.00 H new ATOM 0 HB3 LYS A 127 -9.405 7.005 -10.121 1.00 0.00 H new ATOM 0 HG2 LYS A 127 -8.133 7.339 -7.834 1.00 0.00 H new ATOM 0 HG3 LYS A 127 -6.879 8.075 -8.812 1.00 0.00 H new ATOM 0 HD2 LYS A 127 -8.419 9.762 -9.676 1.00 0.00 H new ATOM 0 HD3 LYS A 127 -9.807 8.928 -9.007 1.00 0.00 H new ATOM 0 HE2 LYS A 127 -9.340 9.605 -6.807 1.00 0.00 H new ATOM 0 HE3 LYS A 127 -7.612 9.698 -7.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 -8.589 11.905 -6.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 -7.968 11.678 -8.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 -9.642 11.588 -8.189 1.00 0.00 H new ATOM 2047 N ARG A 128 -8.295 4.521 -11.800 1.00 0.00 N ATOM 2048 CA ARG A 128 -8.973 3.636 -12.757 1.00 0.00 C ATOM 2049 C ARG A 128 -8.061 2.466 -13.161 1.00 0.00 C ATOM 2050 O ARG A 128 -7.950 2.151 -14.328 1.00 0.00 O ATOM 2051 CB ARG A 128 -9.316 4.454 -13.994 1.00 0.00 C ATOM 2052 CG ARG A 128 -8.044 5.083 -14.566 1.00 0.00 C ATOM 2053 CD ARG A 128 -7.954 4.778 -16.064 1.00 0.00 C ATOM 2054 NE ARG A 128 -7.159 3.534 -16.274 1.00 0.00 N ATOM 2055 CZ ARG A 128 -7.204 2.914 -17.424 1.00 0.00 C ATOM 2056 NH1 ARG A 128 -8.345 2.750 -18.035 1.00 0.00 N ATOM 2057 NH2 ARG A 128 -6.106 2.456 -17.960 1.00 0.00 N ATOM 0 H ARG A 128 -7.528 5.069 -12.189 1.00 0.00 H new ATOM 0 HA ARG A 128 -9.872 3.225 -12.297 1.00 0.00 H new ATOM 0 HB2 ARG A 128 -9.787 3.818 -14.743 1.00 0.00 H new ATOM 0 HB3 ARG A 128 -10.035 5.232 -13.739 1.00 0.00 H new ATOM 0 HG2 ARG A 128 -8.053 6.161 -14.403 1.00 0.00 H new ATOM 0 HG3 ARG A 128 -7.168 4.690 -14.051 1.00 0.00 H new ATOM 0 HD2 ARG A 128 -8.954 4.658 -16.482 1.00 0.00 H new ATOM 0 HD3 ARG A 128 -7.488 5.612 -16.588 1.00 0.00 H new ATOM 0 HE ARG A 128 -6.579 3.166 -15.519 1.00 0.00 H new ATOM 0 HH11 ARG A 128 -9.204 3.106 -17.615 1.00 0.00 H new ATOM 0 HH12 ARG A 128 -8.378 2.266 -18.932 1.00 0.00 H new ATOM 0 HH21 ARG A 128 -5.214 2.582 -17.482 1.00 0.00 H new ATOM 0 HH22 ARG A 128 -6.140 1.972 -18.857 1.00 0.00 H new ATOM 2071 N LEU A 129 -7.412 1.818 -12.217 1.00 0.00 N ATOM 2072 CA LEU A 129 -6.525 0.674 -12.555 1.00 0.00 C ATOM 2073 C LEU A 129 -7.114 -0.131 -13.719 1.00 0.00 C ATOM 2074 O LEU A 129 -8.279 -0.480 -13.641 1.00 0.00 O ATOM 2075 CB LEU A 129 -6.422 -0.229 -11.332 1.00 0.00 C ATOM 2076 CG LEU A 129 -5.861 0.557 -10.148 1.00 0.00 C ATOM 2077 CD1 LEU A 129 -6.913 0.638 -9.039 1.00 0.00 C ATOM 2078 CD2 LEU A 129 -4.617 -0.154 -9.615 1.00 0.00 C ATOM 2079 OXT LEU A 129 -6.387 -0.383 -14.665 1.00 0.00 O ATOM 0 H LEU A 129 -7.465 2.041 -11.223 1.00 0.00 H new ATOM 0 HA LEU A 129 -5.543 1.048 -12.846 1.00 0.00 H new ATOM 0 HB2 LEU A 129 -7.405 -0.629 -11.081 1.00 0.00 H new ATOM 0 HB3 LEU A 129 -5.778 -1.081 -11.552 1.00 0.00 H new ATOM 0 HG LEU A 129 -5.599 1.564 -10.472 1.00 0.00 H new ATOM 0 HD11 LEU A 129 -6.510 1.199 -8.196 1.00 0.00 H new ATOM 0 HD12 LEU A 129 -7.803 1.141 -9.418 1.00 0.00 H new ATOM 0 HD13 LEU A 129 -7.176 -0.368 -8.713 1.00 0.00 H new ATOM 0 HD21 LEU A 129 -4.213 0.404 -8.770 1.00 0.00 H new ATOM 0 HD22 LEU A 129 -4.883 -1.160 -9.292 1.00 0.00 H new ATOM 0 HD23 LEU A 129 -3.866 -0.213 -10.403 1.00 0.00 H new TER 2091 LEU A 129