USER MOD reduce.3.24.130724 H: found=0, std=0, add=971, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 973 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 45 THR OG1 : rot -139:sc= -2.46 USER MOD Set 1.2: A 48 GLN : amide:sc= -1.69 K(o=-4.2,f=-5.7) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00123) USER MOD Single : A 5 GLN : amide:sc= -0.0795 K(o=-0.079,f=-1.3!) USER MOD Single : A 13 ASN : amide:sc= -8.36! C(o=-8.4!,f=-14!) USER MOD Single : A 15 ASN : amide:sc= -1.4 K(o=-1.4,f=-7.6!) USER MOD Single : A 16 ASN : amide:sc= -1.95 X(o=-1.9,f=-2.2) USER MOD Single : A 21 THR OG1 : rot 10:sc= 0.992 USER MOD Single : A 31 ASN : amide:sc= -1.29 X(o=-1.3,f=-0.91) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 157:sc= -1.4 (180deg=-2.67!) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= -0.14 K(o=-0.14,f=-2!) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0.0252 USER MOD Single : A 63 GLN : amide:sc= -0.963 X(o=-0.96,f=-0.81) USER MOD Single : A 64 HIS : no HE2:sc= -18.2! C(o=-18!,f=-25!) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 TYR OH : rot 180:sc= -3.76! USER MOD Single : A 79 HIS : no HD1:sc= -3.44 X(o=-3.4,f=-3.4!) USER MOD Single : A 81 THR OG1 : rot -138:sc= -1.41 USER MOD Single : A 97 LYS NZ :NH3+ 160:sc= -0.0536 (180deg=-0.443) USER MOD Single : A 100 GLN :FLIP amide:sc= 0 F(o=-0.59,f=0) USER MOD Single : A 105 MET CE :methyl 143:sc= -4.41! (180deg=-8.86!) USER MOD Single : A 106 SER OG : rot 29:sc= 0.229 USER MOD Single : A 111 ASN : amide:sc=-0.00402 X(o=-0.004,f=0) USER MOD Single : A 119 ASN : amide:sc= -0.195 K(o=-0.2,f=-3.6!) 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 20 N LYS A 2 -21.602 -5.921 -1.247 1.00 0.00 N ATOM 21 CA LYS A 2 -20.541 -5.190 -1.930 1.00 0.00 C ATOM 22 C LYS A 2 -19.209 -5.922 -1.808 1.00 0.00 C ATOM 23 O LYS A 2 -18.937 -6.577 -0.802 1.00 0.00 O ATOM 24 CB LYS A 2 -20.413 -3.777 -1.357 1.00 0.00 C ATOM 25 CG LYS A 2 -19.945 -2.748 -2.373 1.00 0.00 C ATOM 26 CD LYS A 2 -21.007 -2.483 -3.427 1.00 0.00 C ATOM 27 CE LYS A 2 -21.831 -1.252 -3.090 1.00 0.00 C ATOM 28 NZ LYS A 2 -21.352 -0.045 -3.818 1.00 0.00 N ATOM 0 HA LYS A 2 -20.804 -5.124 -2.986 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -21.379 -3.467 -0.957 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -19.713 -3.795 -0.522 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -19.698 -1.817 -1.862 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -19.033 -3.100 -2.855 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -20.531 -2.349 -4.399 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -21.663 -3.350 -3.510 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -22.876 -1.435 -3.340 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -21.787 -1.069 -2.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -21.941 0.772 -3.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -20.363 0.146 -3.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -21.417 -0.209 -4.843 1.00 0.00 H new ATOM 42 N LYS A 3 -18.381 -5.803 -2.841 1.00 0.00 N ATOM 43 CA LYS A 3 -17.075 -6.451 -2.854 1.00 0.00 C ATOM 44 C LYS A 3 -16.025 -5.530 -3.466 1.00 0.00 C ATOM 45 O LYS A 3 -16.200 -5.022 -4.574 1.00 0.00 O ATOM 46 CB LYS A 3 -17.140 -7.764 -3.636 1.00 0.00 C ATOM 47 CG LYS A 3 -17.446 -7.580 -5.113 1.00 0.00 C ATOM 48 CD LYS A 3 -18.365 -8.675 -5.635 1.00 0.00 C ATOM 49 CE LYS A 3 -19.490 -8.102 -6.482 1.00 0.00 C ATOM 50 NZ LYS A 3 -18.980 -7.476 -7.732 1.00 0.00 N ATOM 0 H LYS A 3 -18.592 -5.263 -3.680 1.00 0.00 H new ATOM 0 HA LYS A 3 -16.791 -6.668 -1.824 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -16.188 -8.285 -3.533 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -17.903 -8.403 -3.193 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -17.912 -6.607 -5.270 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -16.516 -7.583 -5.681 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -17.787 -9.384 -6.227 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -18.786 -9.229 -4.796 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -20.194 -8.895 -6.734 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -20.039 -7.360 -5.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -19.779 -7.113 -8.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -18.340 -6.692 -7.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -18.463 -8.186 -8.290 1.00 0.00 H new ATOM 64 N LEU A 4 -14.937 -5.313 -2.735 1.00 0.00 N ATOM 65 CA LEU A 4 -13.866 -4.444 -3.206 1.00 0.00 C ATOM 66 C LEU A 4 -12.502 -4.942 -2.732 1.00 0.00 C ATOM 67 O LEU A 4 -12.295 -5.175 -1.541 1.00 0.00 O ATOM 68 CB LEU A 4 -14.106 -3.015 -2.720 1.00 0.00 C ATOM 69 CG LEU A 4 -14.117 -2.843 -1.201 1.00 0.00 C ATOM 70 CD1 LEU A 4 -12.726 -2.496 -0.696 1.00 0.00 C ATOM 71 CD2 LEU A 4 -15.120 -1.774 -0.794 1.00 0.00 C ATOM 0 H LEU A 4 -14.774 -5.726 -1.817 1.00 0.00 H new ATOM 0 HA LEU A 4 -13.867 -4.459 -4.296 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -13.333 -2.370 -3.138 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -15.060 -2.668 -3.117 1.00 0.00 H new ATOM 0 HG LEU A 4 -14.420 -3.786 -0.747 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -12.751 -2.377 0.387 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -12.034 -3.297 -0.957 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -12.394 -1.565 -1.156 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -15.115 -1.664 0.290 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -14.848 -0.825 -1.256 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -16.117 -2.066 -1.125 1.00 0.00 H new ATOM 83 N GLN A 5 -11.580 -5.110 -3.675 1.00 0.00 N ATOM 84 CA GLN A 5 -10.238 -5.591 -3.361 1.00 0.00 C ATOM 85 C GLN A 5 -9.206 -4.471 -3.402 1.00 0.00 C ATOM 86 O GLN A 5 -9.356 -3.490 -4.129 1.00 0.00 O ATOM 87 CB GLN A 5 -9.828 -6.684 -4.338 1.00 0.00 C ATOM 88 CG GLN A 5 -10.856 -7.788 -4.448 1.00 0.00 C ATOM 89 CD GLN A 5 -10.300 -9.052 -5.073 1.00 0.00 C ATOM 90 OE1 GLN A 5 -9.110 -9.344 -4.956 1.00 0.00 O ATOM 91 NE2 GLN A 5 -11.161 -9.809 -5.742 1.00 0.00 N ATOM 0 H GLN A 5 -11.738 -4.920 -4.665 1.00 0.00 H new ATOM 0 HA GLN A 5 -10.269 -5.989 -2.347 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -9.668 -6.244 -5.322 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -8.876 -7.110 -4.021 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -11.241 -8.019 -3.455 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -11.699 -7.435 -5.043 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -12.139 -9.528 -5.813 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -10.845 -10.672 -6.185 1.00 0.00 H new ATOM 100 N ILE A 6 -8.149 -4.647 -2.620 1.00 0.00 N ATOM 101 CA ILE A 6 -7.063 -3.688 -2.549 1.00 0.00 C ATOM 102 C ILE A 6 -5.736 -4.403 -2.314 1.00 0.00 C ATOM 103 O ILE A 6 -5.576 -5.122 -1.329 1.00 0.00 O ATOM 104 CB ILE A 6 -7.285 -2.667 -1.420 1.00 0.00 C ATOM 105 CG1 ILE A 6 -8.623 -1.952 -1.599 1.00 0.00 C ATOM 106 CG2 ILE A 6 -6.144 -1.666 -1.386 1.00 0.00 C ATOM 107 CD1 ILE A 6 -9.766 -2.631 -0.878 1.00 0.00 C ATOM 0 H ILE A 6 -8.024 -5.461 -2.018 1.00 0.00 H new ATOM 0 HA ILE A 6 -7.037 -3.159 -3.502 1.00 0.00 H new ATOM 0 HB ILE A 6 -7.308 -3.199 -0.469 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -8.531 -0.928 -1.237 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -8.857 -1.894 -2.662 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -6.313 -0.949 -0.583 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -5.205 -2.191 -1.212 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -6.094 -1.139 -2.339 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -10.686 -2.072 -1.047 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -9.884 -3.646 -1.257 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -9.553 -2.665 0.190 1.00 0.00 H new ATOM 119 N ALA A 7 -4.783 -4.185 -3.209 1.00 0.00 N ATOM 120 CA ALA A 7 -3.465 -4.793 -3.081 1.00 0.00 C ATOM 121 C ALA A 7 -2.405 -3.712 -3.116 1.00 0.00 C ATOM 122 O ALA A 7 -2.374 -2.909 -4.038 1.00 0.00 O ATOM 123 CB ALA A 7 -3.228 -5.813 -4.183 1.00 0.00 C ATOM 0 H ALA A 7 -4.897 -3.592 -4.031 1.00 0.00 H new ATOM 0 HA ALA A 7 -3.409 -5.318 -2.127 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -2.237 -6.252 -4.065 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -3.983 -6.597 -4.121 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -3.294 -5.322 -5.154 1.00 0.00 H new ATOM 129 N VAL A 8 -1.550 -3.675 -2.112 1.00 0.00 N ATOM 130 CA VAL A 8 -0.520 -2.652 -2.065 1.00 0.00 C ATOM 131 C VAL A 8 0.854 -3.238 -1.782 1.00 0.00 C ATOM 132 O VAL A 8 0.984 -4.362 -1.298 1.00 0.00 O ATOM 133 CB VAL A 8 -0.847 -1.561 -1.015 1.00 0.00 C ATOM 134 CG1 VAL A 8 -2.307 -1.631 -0.588 1.00 0.00 C ATOM 135 CG2 VAL A 8 0.073 -1.671 0.198 1.00 0.00 C ATOM 0 H VAL A 8 -1.546 -4.329 -1.329 1.00 0.00 H new ATOM 0 HA VAL A 8 -0.500 -2.194 -3.054 1.00 0.00 H new ATOM 0 HB VAL A 8 -0.676 -0.592 -1.483 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -2.508 -0.854 0.149 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -2.948 -1.481 -1.457 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -2.512 -2.608 -0.150 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -0.180 -0.893 0.918 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -0.052 -2.649 0.662 1.00 0.00 H new ATOM 0 HG23 VAL A 8 1.109 -1.550 -0.119 1.00 0.00 H new ATOM 145 N GLY A 9 1.873 -2.447 -2.078 1.00 0.00 N ATOM 146 CA GLY A 9 3.236 -2.864 -1.848 1.00 0.00 C ATOM 147 C GLY A 9 4.069 -1.749 -1.255 1.00 0.00 C ATOM 148 O GLY A 9 4.344 -0.750 -1.920 1.00 0.00 O ATOM 0 H GLY A 9 1.776 -1.514 -2.478 1.00 0.00 H new ATOM 0 HA2 GLY A 9 3.246 -3.722 -1.176 1.00 0.00 H new ATOM 0 HA3 GLY A 9 3.681 -3.190 -2.788 1.00 0.00 H new ATOM 152 N ILE A 10 4.465 -1.915 -0.003 1.00 0.00 N ATOM 153 CA ILE A 10 5.258 -0.924 0.683 1.00 0.00 C ATOM 154 C ILE A 10 6.669 -0.882 0.109 1.00 0.00 C ATOM 155 O ILE A 10 7.470 -1.785 0.344 1.00 0.00 O ATOM 156 CB ILE A 10 5.318 -1.233 2.189 1.00 0.00 C ATOM 157 CG1 ILE A 10 5.558 -2.729 2.436 1.00 0.00 C ATOM 158 CG2 ILE A 10 4.041 -0.777 2.878 1.00 0.00 C ATOM 159 CD1 ILE A 10 5.899 -3.058 3.873 1.00 0.00 C ATOM 0 H ILE A 10 4.244 -2.738 0.558 1.00 0.00 H new ATOM 0 HA ILE A 10 4.788 0.049 0.540 1.00 0.00 H new ATOM 0 HB ILE A 10 6.158 -0.682 2.613 1.00 0.00 H new ATOM 0 HG12 ILE A 10 4.666 -3.284 2.147 1.00 0.00 H new ATOM 0 HG13 ILE A 10 6.368 -3.070 1.792 1.00 0.00 H new ATOM 0 HG21 ILE A 10 4.101 -1.004 3.943 1.00 0.00 H new ATOM 0 HG22 ILE A 10 3.918 0.297 2.742 1.00 0.00 H new ATOM 0 HG23 ILE A 10 3.187 -1.298 2.444 1.00 0.00 H new ATOM 0 HD11 ILE A 10 6.055 -4.132 3.973 1.00 0.00 H new ATOM 0 HD12 ILE A 10 6.808 -2.531 4.161 1.00 0.00 H new ATOM 0 HD13 ILE A 10 5.079 -2.749 4.521 1.00 0.00 H new ATOM 171 N ILE A 11 6.960 0.165 -0.660 1.00 0.00 N ATOM 172 CA ILE A 11 8.270 0.314 -1.292 1.00 0.00 C ATOM 173 C ILE A 11 9.352 0.655 -0.276 1.00 0.00 C ATOM 174 O ILE A 11 9.227 1.616 0.478 1.00 0.00 O ATOM 175 CB ILE A 11 8.274 1.392 -2.396 1.00 0.00 C ATOM 176 CG1 ILE A 11 6.889 1.533 -3.039 1.00 0.00 C ATOM 177 CG2 ILE A 11 9.316 1.044 -3.449 1.00 0.00 C ATOM 178 CD1 ILE A 11 6.905 2.302 -4.342 1.00 0.00 C ATOM 0 H ILE A 11 6.307 0.923 -0.861 1.00 0.00 H new ATOM 0 HA ILE A 11 8.486 -0.654 -1.745 1.00 0.00 H new ATOM 0 HB ILE A 11 8.527 2.350 -1.942 1.00 0.00 H new ATOM 0 HG12 ILE A 11 6.477 0.540 -3.217 1.00 0.00 H new ATOM 0 HG13 ILE A 11 6.221 2.034 -2.338 1.00 0.00 H new ATOM 0 HG21 ILE A 11 9.316 1.807 -4.227 1.00 0.00 H new ATOM 0 HG22 ILE A 11 10.301 0.999 -2.985 1.00 0.00 H new ATOM 0 HG23 ILE A 11 9.078 0.076 -3.890 1.00 0.00 H new ATOM 0 HD11 ILE A 11 5.892 2.363 -4.741 1.00 0.00 H new ATOM 0 HD12 ILE A 11 7.287 3.308 -4.166 1.00 0.00 H new ATOM 0 HD13 ILE A 11 7.547 1.790 -5.059 1.00 0.00 H new ATOM 190 N ARG A 12 10.413 -0.148 -0.267 1.00 0.00 N ATOM 191 CA ARG A 12 11.533 0.052 0.653 1.00 0.00 C ATOM 192 C ARG A 12 12.686 0.776 -0.025 1.00 0.00 C ATOM 193 O ARG A 12 13.055 0.448 -1.161 1.00 0.00 O ATOM 194 CB ARG A 12 12.029 -1.292 1.186 1.00 0.00 C ATOM 195 CG ARG A 12 11.512 -1.622 2.572 1.00 0.00 C ATOM 196 CD ARG A 12 12.649 -1.821 3.564 1.00 0.00 C ATOM 197 NE ARG A 12 13.211 -3.167 3.487 1.00 0.00 N ATOM 198 CZ ARG A 12 13.908 -3.738 4.467 1.00 0.00 C ATOM 199 NH1 ARG A 12 14.133 -3.084 5.601 1.00 0.00 N ATOM 200 NH2 ARG A 12 14.380 -4.968 4.315 1.00 0.00 N ATOM 0 H ARG A 12 10.522 -0.948 -0.890 1.00 0.00 H new ATOM 0 HA ARG A 12 11.172 0.666 1.478 1.00 0.00 H new ATOM 0 HB2 ARG A 12 11.727 -2.081 0.497 1.00 0.00 H new ATOM 0 HB3 ARG A 12 13.119 -1.286 1.205 1.00 0.00 H new ATOM 0 HG2 ARG A 12 10.863 -0.818 2.919 1.00 0.00 H new ATOM 0 HG3 ARG A 12 10.905 -2.526 2.528 1.00 0.00 H new ATOM 0 HD2 ARG A 12 13.433 -1.089 3.369 1.00 0.00 H new ATOM 0 HD3 ARG A 12 12.285 -1.637 4.575 1.00 0.00 H new ATOM 0 HE ARG A 12 13.060 -3.701 2.631 1.00 0.00 H new ATOM 0 HH11 ARG A 12 13.771 -2.139 5.725 1.00 0.00 H new ATOM 0 HH12 ARG A 12 14.668 -3.527 6.348 1.00 0.00 H new ATOM 0 HH21 ARG A 12 14.209 -5.476 3.447 1.00 0.00 H new ATOM 0 HH22 ARG A 12 14.914 -5.406 5.066 1.00 0.00 H new ATOM 214 N ASN A 13 13.257 1.752 0.687 1.00 0.00 N ATOM 215 CA ASN A 13 14.381 2.527 0.163 1.00 0.00 C ATOM 216 C ASN A 13 15.726 1.985 0.647 1.00 0.00 C ATOM 217 O ASN A 13 15.807 0.924 1.266 1.00 0.00 O ATOM 218 CB ASN A 13 14.257 4.013 0.522 1.00 0.00 C ATOM 219 CG ASN A 13 13.881 4.252 1.967 1.00 0.00 C ATOM 220 OD1 ASN A 13 12.724 4.101 2.352 1.00 0.00 O ATOM 221 ND2 ASN A 13 14.860 4.656 2.769 1.00 0.00 N ATOM 0 H ASN A 13 12.959 2.022 1.624 1.00 0.00 H new ATOM 0 HA ASN A 13 14.345 2.426 -0.922 1.00 0.00 H new ATOM 0 HB2 ASN A 13 15.205 4.510 0.314 1.00 0.00 H new ATOM 0 HB3 ASN A 13 13.508 4.473 -0.122 1.00 0.00 H new ATOM 0 HD21 ASN A 13 14.666 4.855 3.750 1.00 0.00 H new ATOM 0 HD22 ASN A 13 15.806 4.767 2.403 1.00 0.00 H new ATOM 228 N GLU A 14 16.779 2.728 0.320 1.00 0.00 N ATOM 229 CA GLU A 14 18.155 2.369 0.658 1.00 0.00 C ATOM 230 C GLU A 14 18.471 2.485 2.154 1.00 0.00 C ATOM 231 O GLU A 14 19.599 2.211 2.567 1.00 0.00 O ATOM 232 CB GLU A 14 19.093 3.283 -0.131 1.00 0.00 C ATOM 233 CG GLU A 14 20.565 3.113 0.214 1.00 0.00 C ATOM 234 CD GLU A 14 21.472 3.338 -0.980 1.00 0.00 C ATOM 235 OE1 GLU A 14 21.266 4.336 -1.703 1.00 0.00 O ATOM 236 OE2 GLU A 14 22.390 2.518 -1.191 1.00 0.00 O ATOM 0 H GLU A 14 16.701 3.606 -0.193 1.00 0.00 H new ATOM 0 HA GLU A 14 18.294 1.320 0.397 1.00 0.00 H new ATOM 0 HB2 GLU A 14 18.957 3.093 -1.196 1.00 0.00 H new ATOM 0 HB3 GLU A 14 18.807 4.320 0.047 1.00 0.00 H new ATOM 0 HG2 GLU A 14 20.832 3.813 1.006 1.00 0.00 H new ATOM 0 HG3 GLU A 14 20.729 2.109 0.607 1.00 0.00 H new ATOM 243 N ASN A 15 17.507 2.904 2.962 1.00 0.00 N ATOM 244 CA ASN A 15 17.752 3.060 4.398 1.00 0.00 C ATOM 245 C ASN A 15 16.820 2.189 5.239 1.00 0.00 C ATOM 246 O ASN A 15 16.432 2.570 6.344 1.00 0.00 O ATOM 247 CB ASN A 15 17.603 4.530 4.797 1.00 0.00 C ATOM 248 CG ASN A 15 17.987 4.783 6.242 1.00 0.00 C ATOM 249 OD1 ASN A 15 17.179 5.263 7.036 1.00 0.00 O ATOM 250 ND2 ASN A 15 19.227 4.460 6.590 1.00 0.00 N ATOM 0 H ASN A 15 16.562 3.140 2.660 1.00 0.00 H new ATOM 0 HA ASN A 15 18.772 2.729 4.595 1.00 0.00 H new ATOM 0 HB2 ASN A 15 18.226 5.144 4.146 1.00 0.00 H new ATOM 0 HB3 ASN A 15 16.571 4.843 4.639 1.00 0.00 H new ATOM 0 HD21 ASN A 15 19.542 4.608 7.549 1.00 0.00 H new ATOM 0 HD22 ASN A 15 19.864 4.064 5.899 1.00 0.00 H new ATOM 257 N ASN A 16 16.464 1.019 4.719 1.00 0.00 N ATOM 258 CA ASN A 16 15.579 0.104 5.436 1.00 0.00 C ATOM 259 C ASN A 16 14.236 0.762 5.752 1.00 0.00 C ATOM 260 O ASN A 16 13.451 0.246 6.549 1.00 0.00 O ATOM 261 CB ASN A 16 16.245 -0.375 6.724 1.00 0.00 C ATOM 262 CG ASN A 16 16.485 -1.872 6.731 1.00 0.00 C ATOM 263 OD1 ASN A 16 16.920 -2.447 5.733 1.00 0.00 O ATOM 264 ND2 ASN A 16 16.202 -2.512 7.859 1.00 0.00 N ATOM 0 H ASN A 16 16.773 0.682 3.807 1.00 0.00 H new ATOM 0 HA ASN A 16 15.391 -0.754 4.790 1.00 0.00 H new ATOM 0 HB2 ASN A 16 17.196 0.143 6.852 1.00 0.00 H new ATOM 0 HB3 ASN A 16 15.619 -0.107 7.575 1.00 0.00 H new ATOM 0 HD21 ASN A 16 16.343 -3.520 7.923 1.00 0.00 H new ATOM 0 HD22 ASN A 16 15.843 -1.996 8.662 1.00 0.00 H new ATOM 271 N GLU A 17 13.970 1.894 5.111 1.00 0.00 N ATOM 272 CA GLU A 17 12.719 2.607 5.307 1.00 0.00 C ATOM 273 C GLU A 17 11.799 2.331 4.130 1.00 0.00 C ATOM 274 O GLU A 17 12.252 1.875 3.081 1.00 0.00 O ATOM 275 CB GLU A 17 12.956 4.111 5.465 1.00 0.00 C ATOM 276 CG GLU A 17 14.289 4.460 6.105 1.00 0.00 C ATOM 277 CD GLU A 17 14.502 5.955 6.232 1.00 0.00 C ATOM 278 OE1 GLU A 17 14.746 6.610 5.197 1.00 0.00 O ATOM 279 OE2 GLU A 17 14.424 6.472 7.366 1.00 0.00 O ATOM 0 H GLU A 17 14.608 2.337 4.450 1.00 0.00 H new ATOM 0 HA GLU A 17 12.252 2.253 6.226 1.00 0.00 H new ATOM 0 HB2 GLU A 17 12.901 4.583 4.484 1.00 0.00 H new ATOM 0 HB3 GLU A 17 12.153 4.534 6.068 1.00 0.00 H new ATOM 0 HG2 GLU A 17 14.343 4.004 7.093 1.00 0.00 H new ATOM 0 HG3 GLU A 17 15.096 4.031 5.511 1.00 0.00 H new ATOM 286 N ILE A 18 10.511 2.570 4.307 1.00 0.00 N ATOM 287 CA ILE A 18 9.556 2.307 3.244 1.00 0.00 C ATOM 288 C ILE A 18 8.795 3.567 2.833 1.00 0.00 C ATOM 289 O ILE A 18 8.170 4.232 3.659 1.00 0.00 O ATOM 290 CB ILE A 18 8.585 1.184 3.673 1.00 0.00 C ATOM 291 CG1 ILE A 18 8.549 0.073 2.628 1.00 0.00 C ATOM 292 CG2 ILE A 18 7.182 1.715 3.935 1.00 0.00 C ATOM 293 CD1 ILE A 18 8.382 -1.307 3.228 1.00 0.00 C ATOM 0 H ILE A 18 10.106 2.941 5.166 1.00 0.00 H new ATOM 0 HA ILE A 18 10.112 1.977 2.367 1.00 0.00 H new ATOM 0 HB ILE A 18 8.960 0.772 4.610 1.00 0.00 H new ATOM 0 HG12 ILE A 18 7.729 0.262 1.935 1.00 0.00 H new ATOM 0 HG13 ILE A 18 9.471 0.100 2.047 1.00 0.00 H new ATOM 0 HG21 ILE A 18 6.532 0.893 4.234 1.00 0.00 H new ATOM 0 HG22 ILE A 18 7.217 2.458 4.732 1.00 0.00 H new ATOM 0 HG23 ILE A 18 6.792 2.175 3.027 1.00 0.00 H new ATOM 0 HD11 ILE A 18 8.364 -2.050 2.431 1.00 0.00 H new ATOM 0 HD12 ILE A 18 9.215 -1.515 3.900 1.00 0.00 H new ATOM 0 HD13 ILE A 18 7.447 -1.350 3.786 1.00 0.00 H new ATOM 305 N PHE A 19 8.858 3.880 1.543 1.00 0.00 N ATOM 306 CA PHE A 19 8.184 5.048 0.992 1.00 0.00 C ATOM 307 C PHE A 19 6.679 4.809 0.903 1.00 0.00 C ATOM 308 O PHE A 19 6.224 3.885 0.229 1.00 0.00 O ATOM 309 CB PHE A 19 8.776 5.374 -0.390 1.00 0.00 C ATOM 310 CG PHE A 19 7.808 5.969 -1.380 1.00 0.00 C ATOM 311 CD1 PHE A 19 6.898 5.167 -2.051 1.00 0.00 C ATOM 312 CD2 PHE A 19 7.819 7.329 -1.646 1.00 0.00 C ATOM 313 CE1 PHE A 19 6.018 5.710 -2.968 1.00 0.00 C ATOM 314 CE2 PHE A 19 6.942 7.876 -2.561 1.00 0.00 C ATOM 315 CZ PHE A 19 6.040 7.067 -3.223 1.00 0.00 C ATOM 0 H PHE A 19 9.375 3.334 0.854 1.00 0.00 H new ATOM 0 HA PHE A 19 8.342 5.900 1.653 1.00 0.00 H new ATOM 0 HB2 PHE A 19 9.607 6.067 -0.257 1.00 0.00 H new ATOM 0 HB3 PHE A 19 9.189 4.459 -0.815 1.00 0.00 H new ATOM 0 HD1 PHE A 19 6.876 4.105 -1.855 1.00 0.00 H new ATOM 0 HD2 PHE A 19 8.522 7.968 -1.132 1.00 0.00 H new ATOM 0 HE1 PHE A 19 5.314 5.074 -3.484 1.00 0.00 H new ATOM 0 HE2 PHE A 19 6.961 8.937 -2.759 1.00 0.00 H new ATOM 0 HZ PHE A 19 5.353 7.494 -3.939 1.00 0.00 H new ATOM 325 N ILE A 20 5.913 5.647 1.590 1.00 0.00 N ATOM 326 CA ILE A 20 4.462 5.533 1.589 1.00 0.00 C ATOM 327 C ILE A 20 3.826 6.879 1.257 1.00 0.00 C ATOM 328 O ILE A 20 4.391 7.930 1.557 1.00 0.00 O ATOM 329 CB ILE A 20 3.915 5.032 2.947 1.00 0.00 C ATOM 330 CG1 ILE A 20 5.057 4.739 3.927 1.00 0.00 C ATOM 331 CG2 ILE A 20 3.065 3.789 2.746 1.00 0.00 C ATOM 332 CD1 ILE A 20 4.598 4.596 5.363 1.00 0.00 C ATOM 0 H ILE A 20 6.275 6.415 2.156 1.00 0.00 H new ATOM 0 HA ILE A 20 4.201 4.798 0.827 1.00 0.00 H new ATOM 0 HB ILE A 20 3.295 5.821 3.373 1.00 0.00 H new ATOM 0 HG12 ILE A 20 5.561 3.822 3.622 1.00 0.00 H new ATOM 0 HG13 ILE A 20 5.792 5.542 3.867 1.00 0.00 H new ATOM 0 HG21 ILE A 20 2.687 3.447 3.709 1.00 0.00 H new ATOM 0 HG22 ILE A 20 2.227 4.023 2.090 1.00 0.00 H new ATOM 0 HG23 ILE A 20 3.671 3.003 2.295 1.00 0.00 H new ATOM 0 HD11 ILE A 20 5.457 4.390 6.001 1.00 0.00 H new ATOM 0 HD12 ILE A 20 4.120 5.521 5.686 1.00 0.00 H new ATOM 0 HD13 ILE A 20 3.886 3.774 5.437 1.00 0.00 H new ATOM 344 N THR A 21 2.652 6.843 0.640 1.00 0.00 N ATOM 345 CA THR A 21 1.955 8.067 0.273 1.00 0.00 C ATOM 346 C THR A 21 1.420 8.772 1.514 1.00 0.00 C ATOM 347 O THR A 21 0.510 8.277 2.175 1.00 0.00 O ATOM 348 CB THR A 21 0.807 7.756 -0.686 1.00 0.00 C ATOM 349 OG1 THR A 21 -0.162 6.934 -0.060 1.00 0.00 O ATOM 350 CG2 THR A 21 1.255 7.057 -1.951 1.00 0.00 C ATOM 0 H THR A 21 2.165 5.984 0.385 1.00 0.00 H new ATOM 0 HA THR A 21 2.664 8.728 -0.226 1.00 0.00 H new ATOM 0 HB THR A 21 0.387 8.725 -0.956 1.00 0.00 H new ATOM 0 HG1 THR A 21 0.028 6.877 0.900 1.00 0.00 H new ATOM 0 HG21 THR A 21 0.391 6.866 -2.587 1.00 0.00 H new ATOM 0 HG22 THR A 21 1.965 7.689 -2.484 1.00 0.00 H new ATOM 0 HG23 THR A 21 1.733 6.111 -1.695 1.00 0.00 H new ATOM 358 N ARG A 22 1.996 9.930 1.823 1.00 0.00 N ATOM 359 CA ARG A 22 1.581 10.704 2.987 1.00 0.00 C ATOM 360 C ARG A 22 1.238 12.137 2.595 1.00 0.00 C ATOM 361 O ARG A 22 2.042 12.830 1.972 1.00 0.00 O ATOM 362 CB ARG A 22 2.688 10.707 4.043 1.00 0.00 C ATOM 363 CG ARG A 22 2.196 11.050 5.440 1.00 0.00 C ATOM 364 CD ARG A 22 3.310 10.933 6.467 1.00 0.00 C ATOM 365 NE ARG A 22 4.198 12.092 6.447 1.00 0.00 N ATOM 366 CZ ARG A 22 5.288 12.204 7.203 1.00 0.00 C ATOM 367 NH1 ARG A 22 5.628 11.231 8.038 1.00 0.00 N ATOM 368 NH2 ARG A 22 6.041 13.293 7.123 1.00 0.00 N ATOM 0 H ARG A 22 2.751 10.352 1.283 1.00 0.00 H new ATOM 0 HA ARG A 22 0.689 10.236 3.403 1.00 0.00 H new ATOM 0 HB2 ARG A 22 3.161 9.725 4.064 1.00 0.00 H new ATOM 0 HB3 ARG A 22 3.455 11.424 3.751 1.00 0.00 H new ATOM 0 HG2 ARG A 22 1.798 12.065 5.448 1.00 0.00 H new ATOM 0 HG3 ARG A 22 1.377 10.384 5.712 1.00 0.00 H new ATOM 0 HD2 ARG A 22 2.876 10.826 7.461 1.00 0.00 H new ATOM 0 HD3 ARG A 22 3.889 10.030 6.273 1.00 0.00 H new ATOM 0 HE ARG A 22 3.970 12.861 5.817 1.00 0.00 H new ATOM 0 HH11 ARG A 22 5.053 10.391 8.103 1.00 0.00 H new ATOM 0 HH12 ARG A 22 6.464 11.323 8.615 1.00 0.00 H new ATOM 0 HH21 ARG A 22 5.785 14.044 6.482 1.00 0.00 H new ATOM 0 HH22 ARG A 22 6.876 13.379 7.702 1.00 0.00 H new ATOM 493 N ASN A 31 -4.214 12.840 6.677 1.00 0.00 N ATOM 494 CA ASN A 31 -4.590 11.563 7.274 1.00 0.00 C ATOM 495 C ASN A 31 -4.797 10.495 6.203 1.00 0.00 C ATOM 496 O ASN A 31 -5.604 9.581 6.373 1.00 0.00 O ATOM 497 CB ASN A 31 -5.864 11.721 8.105 1.00 0.00 C ATOM 498 CG ASN A 31 -5.794 10.967 9.419 1.00 0.00 C ATOM 499 OD1 ASN A 31 -6.349 9.876 9.553 1.00 0.00 O ATOM 500 ND2 ASN A 31 -5.109 11.547 10.399 1.00 0.00 N ATOM 0 HA ASN A 31 -3.775 11.243 7.924 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -6.035 12.779 8.305 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -6.717 11.363 7.529 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -5.028 11.087 11.306 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -4.665 12.452 10.244 1.00 0.00 H new ATOM 507 N LYS A 32 -4.062 10.614 5.101 1.00 0.00 N ATOM 508 CA LYS A 32 -4.165 9.655 4.006 1.00 0.00 C ATOM 509 C LYS A 32 -2.873 8.869 3.839 1.00 0.00 C ATOM 510 O LYS A 32 -2.560 8.391 2.750 1.00 0.00 O ATOM 511 CB LYS A 32 -4.534 10.360 2.701 1.00 0.00 C ATOM 512 CG LYS A 32 -5.967 10.109 2.261 1.00 0.00 C ATOM 513 CD LYS A 32 -6.204 10.581 0.835 1.00 0.00 C ATOM 514 CE LYS A 32 -7.685 10.614 0.499 1.00 0.00 C ATOM 515 NZ LYS A 32 -8.022 11.741 -0.413 1.00 0.00 N ATOM 0 H LYS A 32 -3.389 11.364 4.943 1.00 0.00 H new ATOM 0 HA LYS A 32 -4.959 8.951 4.255 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -4.382 11.433 2.821 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -3.857 10.028 1.914 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -6.190 9.045 2.335 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -6.651 10.625 2.935 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -5.778 11.576 0.704 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -5.687 9.919 0.141 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -7.973 9.671 0.033 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -8.264 10.705 1.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -9.041 11.729 -0.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -7.771 12.642 0.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -7.489 11.641 -1.300 1.00 0.00 H new ATOM 529 N LEU A 33 -2.129 8.749 4.928 1.00 0.00 N ATOM 530 CA LEU A 33 -0.862 8.026 4.923 1.00 0.00 C ATOM 531 C LEU A 33 -1.069 6.560 4.549 1.00 0.00 C ATOM 532 O LEU A 33 -1.060 5.682 5.411 1.00 0.00 O ATOM 533 CB LEU A 33 -0.193 8.127 6.296 1.00 0.00 C ATOM 534 CG LEU A 33 1.094 7.318 6.455 1.00 0.00 C ATOM 535 CD1 LEU A 33 2.053 7.604 5.308 1.00 0.00 C ATOM 536 CD2 LEU A 33 1.752 7.625 7.793 1.00 0.00 C ATOM 0 H LEU A 33 -2.381 9.145 5.833 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.214 8.481 4.174 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.028 9.175 6.498 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -0.905 7.800 7.054 1.00 0.00 H new ATOM 0 HG LEU A 33 0.840 6.258 6.430 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.963 7.018 5.440 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.581 7.334 4.363 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.303 8.665 5.298 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.667 7.041 7.891 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.992 8.687 7.845 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.069 7.367 8.602 1.00 0.00 H new ATOM 548 N GLU A 34 -1.259 6.302 3.256 1.00 0.00 N ATOM 549 CA GLU A 34 -1.475 4.941 2.772 1.00 0.00 C ATOM 550 C GLU A 34 -0.339 4.497 1.854 1.00 0.00 C ATOM 551 O GLU A 34 0.686 5.170 1.748 1.00 0.00 O ATOM 552 CB GLU A 34 -2.811 4.845 2.033 1.00 0.00 C ATOM 553 CG GLU A 34 -3.972 5.469 2.788 1.00 0.00 C ATOM 554 CD GLU A 34 -4.910 6.241 1.881 1.00 0.00 C ATOM 555 OE1 GLU A 34 -5.854 5.625 1.343 1.00 0.00 O ATOM 556 OE2 GLU A 34 -4.700 7.459 1.708 1.00 0.00 O ATOM 0 H GLU A 34 -1.268 7.016 2.527 1.00 0.00 H new ATOM 0 HA GLU A 34 -1.496 4.277 3.636 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -2.716 5.333 1.063 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -3.036 3.796 1.841 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.531 4.685 3.300 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -3.584 6.137 3.556 1.00 0.00 H new ATOM 563 N PHE A 35 -0.528 3.354 1.201 1.00 0.00 N ATOM 564 CA PHE A 35 0.486 2.812 0.299 1.00 0.00 C ATOM 565 C PHE A 35 -0.042 2.684 -1.131 1.00 0.00 C ATOM 566 O PHE A 35 -1.241 2.808 -1.379 1.00 0.00 O ATOM 567 CB PHE A 35 0.979 1.445 0.788 1.00 0.00 C ATOM 568 CG PHE A 35 0.666 1.155 2.231 1.00 0.00 C ATOM 569 CD1 PHE A 35 -0.637 0.909 2.636 1.00 0.00 C ATOM 570 CD2 PHE A 35 1.675 1.126 3.179 1.00 0.00 C ATOM 571 CE1 PHE A 35 -0.925 0.642 3.960 1.00 0.00 C ATOM 572 CE2 PHE A 35 1.392 0.859 4.504 1.00 0.00 C ATOM 573 CZ PHE A 35 0.090 0.617 4.895 1.00 0.00 C ATOM 0 H PHE A 35 -1.371 2.786 1.279 1.00 0.00 H new ATOM 0 HA PHE A 35 1.320 3.514 0.297 1.00 0.00 H new ATOM 0 HB2 PHE A 35 0.533 0.668 0.168 1.00 0.00 H new ATOM 0 HB3 PHE A 35 2.058 1.388 0.644 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -1.435 0.926 1.909 1.00 0.00 H new ATOM 0 HD2 PHE A 35 2.695 1.314 2.879 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -1.944 0.453 4.264 1.00 0.00 H new ATOM 0 HE2 PHE A 35 2.188 0.839 5.234 1.00 0.00 H new ATOM 0 HZ PHE A 35 -0.134 0.408 5.931 1.00 0.00 H new ATOM 583 N PRO A 36 0.868 2.432 -2.089 1.00 0.00 N ATOM 584 CA PRO A 36 0.532 2.283 -3.506 1.00 0.00 C ATOM 585 C PRO A 36 0.076 0.872 -3.874 1.00 0.00 C ATOM 586 O PRO A 36 0.258 -0.073 -3.111 1.00 0.00 O ATOM 587 CB PRO A 36 1.853 2.607 -4.194 1.00 0.00 C ATOM 588 CG PRO A 36 2.894 2.118 -3.246 1.00 0.00 C ATOM 589 CD PRO A 36 2.319 2.277 -1.859 1.00 0.00 C ATOM 0 HA PRO A 36 -0.303 2.921 -3.795 1.00 0.00 H new ATOM 0 HB2 PRO A 36 1.930 2.109 -5.161 1.00 0.00 H new ATOM 0 HB3 PRO A 36 1.954 3.677 -4.378 1.00 0.00 H new ATOM 0 HG2 PRO A 36 3.142 1.076 -3.446 1.00 0.00 H new ATOM 0 HG3 PRO A 36 3.815 2.691 -3.352 1.00 0.00 H new ATOM 0 HD2 PRO A 36 2.534 1.409 -1.236 1.00 0.00 H new ATOM 0 HD3 PRO A 36 2.738 3.146 -1.351 1.00 0.00 H new ATOM 597 N GLY A 37 -0.499 0.744 -5.064 1.00 0.00 N ATOM 598 CA GLY A 37 -0.969 -0.543 -5.551 1.00 0.00 C ATOM 599 C GLY A 37 -2.473 -0.740 -5.444 1.00 0.00 C ATOM 600 O GLY A 37 -3.002 -1.727 -5.941 1.00 0.00 O ATOM 0 H GLY A 37 -0.650 1.519 -5.709 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -0.673 -0.654 -6.594 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -0.470 -1.334 -4.992 1.00 0.00 H new ATOM 604 N GLY A 38 -3.161 0.200 -4.825 1.00 0.00 N ATOM 605 CA GLY A 38 -4.603 0.107 -4.693 1.00 0.00 C ATOM 606 C GLY A 38 -5.317 0.056 -6.033 1.00 0.00 C ATOM 607 O GLY A 38 -4.743 0.428 -7.060 1.00 0.00 O ATOM 0 H GLY A 38 -2.747 1.034 -4.407 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -4.854 -0.785 -4.119 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -4.967 0.963 -4.125 1.00 0.00 H new ATOM 611 N LYS A 39 -6.579 -0.398 -6.019 1.00 0.00 N ATOM 612 CA LYS A 39 -7.399 -0.494 -7.225 1.00 0.00 C ATOM 613 C LYS A 39 -7.159 -1.795 -7.986 1.00 0.00 C ATOM 614 O LYS A 39 -7.764 -2.024 -9.032 1.00 0.00 O ATOM 615 CB LYS A 39 -7.170 0.701 -8.148 1.00 0.00 C ATOM 616 CG LYS A 39 -8.170 0.769 -9.286 1.00 0.00 C ATOM 617 CD LYS A 39 -8.905 2.099 -9.303 1.00 0.00 C ATOM 618 CE LYS A 39 -9.950 2.175 -8.199 1.00 0.00 C ATOM 619 NZ LYS A 39 -9.335 2.410 -6.861 1.00 0.00 N ATOM 0 H LYS A 39 -7.054 -0.707 -5.171 1.00 0.00 H new ATOM 0 HA LYS A 39 -8.437 -0.489 -6.893 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -7.228 1.620 -7.565 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -6.162 0.648 -8.560 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -7.653 0.626 -10.235 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -8.889 -0.044 -9.189 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -8.189 2.913 -9.184 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -9.387 2.237 -10.271 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -10.653 2.978 -8.420 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -10.522 1.247 -8.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -10.040 2.834 -6.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -9.010 1.505 -6.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -8.525 3.055 -6.960 1.00 0.00 H new ATOM 633 N ILE A 40 -6.294 -2.655 -7.456 1.00 0.00 N ATOM 634 CA ILE A 40 -6.016 -3.939 -8.099 1.00 0.00 C ATOM 635 C ILE A 40 -7.314 -4.676 -8.388 1.00 0.00 C ATOM 636 O ILE A 40 -7.408 -5.473 -9.322 1.00 0.00 O ATOM 637 CB ILE A 40 -5.094 -4.826 -7.240 1.00 0.00 C ATOM 638 CG1 ILE A 40 -5.864 -5.472 -6.077 1.00 0.00 C ATOM 639 CG2 ILE A 40 -3.930 -3.995 -6.727 1.00 0.00 C ATOM 640 CD1 ILE A 40 -5.527 -6.932 -5.862 1.00 0.00 C ATOM 0 H ILE A 40 -5.777 -2.491 -6.592 1.00 0.00 H new ATOM 0 HA ILE A 40 -5.499 -3.727 -9.035 1.00 0.00 H new ATOM 0 HB ILE A 40 -4.710 -5.636 -7.859 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -5.652 -4.920 -5.161 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -6.934 -5.379 -6.265 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -3.276 -4.621 -6.119 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -3.368 -3.596 -7.571 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -4.310 -3.171 -6.122 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -6.108 -7.320 -5.026 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -5.766 -7.497 -6.763 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -4.464 -7.032 -5.642 1.00 0.00 H new ATOM 652 N GLU A 41 -8.309 -4.380 -7.564 1.00 0.00 N ATOM 653 CA GLU A 41 -9.634 -4.968 -7.676 1.00 0.00 C ATOM 654 C GLU A 41 -10.064 -5.058 -9.133 1.00 0.00 C ATOM 655 O GLU A 41 -10.352 -6.144 -9.635 1.00 0.00 O ATOM 656 CB GLU A 41 -10.629 -4.123 -6.882 1.00 0.00 C ATOM 657 CG GLU A 41 -10.421 -2.620 -7.047 1.00 0.00 C ATOM 658 CD GLU A 41 -11.515 -1.966 -7.868 1.00 0.00 C ATOM 659 OE1 GLU A 41 -12.662 -2.460 -7.830 1.00 0.00 O ATOM 660 OE2 GLU A 41 -11.226 -0.959 -8.548 1.00 0.00 O ATOM 0 H GLU A 41 -8.217 -3.719 -6.793 1.00 0.00 H new ATOM 0 HA GLU A 41 -9.609 -5.979 -7.270 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -11.641 -4.378 -7.196 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -10.549 -4.379 -5.826 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -10.382 -2.152 -6.063 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -9.457 -2.441 -7.524 1.00 0.00 H new ATOM 667 N MET A 42 -10.086 -3.901 -9.797 1.00 0.00 N ATOM 668 CA MET A 42 -10.460 -3.793 -11.215 1.00 0.00 C ATOM 669 C MET A 42 -10.953 -5.121 -11.792 1.00 0.00 C ATOM 670 O MET A 42 -12.157 -5.346 -11.919 1.00 0.00 O ATOM 671 CB MET A 42 -9.263 -3.293 -12.029 1.00 0.00 C ATOM 672 CG MET A 42 -8.905 -1.842 -11.755 1.00 0.00 C ATOM 673 SD MET A 42 -9.707 -0.702 -12.898 1.00 0.00 S ATOM 674 CE MET A 42 -8.524 -0.680 -14.243 1.00 0.00 C ATOM 0 H MET A 42 -9.845 -3.008 -9.368 1.00 0.00 H new ATOM 0 HA MET A 42 -11.284 -3.083 -11.279 1.00 0.00 H new ATOM 0 HB2 MET A 42 -8.398 -3.919 -11.810 1.00 0.00 H new ATOM 0 HB3 MET A 42 -9.481 -3.411 -13.090 1.00 0.00 H new ATOM 0 HG2 MET A 42 -9.190 -1.588 -10.734 1.00 0.00 H new ATOM 0 HG3 MET A 42 -7.824 -1.719 -11.824 1.00 0.00 H new ATOM 0 HE1 MET A 42 -8.881 -0.016 -15.030 1.00 0.00 H new ATOM 0 HE2 MET A 42 -7.562 -0.323 -13.876 1.00 0.00 H new ATOM 0 HE3 MET A 42 -8.409 -1.688 -14.643 1.00 0.00 H new ATOM 684 N GLY A 43 -10.012 -5.995 -12.141 1.00 0.00 N ATOM 685 CA GLY A 43 -10.369 -7.285 -12.699 1.00 0.00 C ATOM 686 C GLY A 43 -9.161 -8.117 -13.069 1.00 0.00 C ATOM 687 O GLY A 43 -9.189 -8.876 -14.037 1.00 0.00 O ATOM 0 H GLY A 43 -9.010 -5.831 -12.047 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -10.975 -7.833 -11.977 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -10.986 -7.135 -13.585 1.00 0.00 H new ATOM 691 N GLU A 44 -8.102 -7.967 -12.296 1.00 0.00 N ATOM 692 CA GLU A 44 -6.865 -8.704 -12.537 1.00 0.00 C ATOM 693 C GLU A 44 -6.885 -10.056 -11.829 1.00 0.00 C ATOM 694 O GLU A 44 -7.898 -10.448 -11.248 1.00 0.00 O ATOM 695 CB GLU A 44 -5.662 -7.883 -12.070 1.00 0.00 C ATOM 696 CG GLU A 44 -4.992 -7.097 -13.184 1.00 0.00 C ATOM 697 CD GLU A 44 -5.835 -5.929 -13.661 1.00 0.00 C ATOM 698 OE1 GLU A 44 -6.866 -6.172 -14.323 1.00 0.00 O ATOM 699 OE2 GLU A 44 -5.464 -4.773 -13.372 1.00 0.00 O ATOM 0 H GLU A 44 -8.069 -7.340 -11.492 1.00 0.00 H new ATOM 0 HA GLU A 44 -6.780 -8.883 -13.609 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -5.985 -7.191 -11.292 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -4.930 -8.552 -11.618 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -4.029 -6.726 -12.834 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -4.791 -7.763 -14.024 1.00 0.00 H new ATOM 706 N THR A 45 -5.760 -10.763 -11.879 1.00 0.00 N ATOM 707 CA THR A 45 -5.647 -12.068 -11.241 1.00 0.00 C ATOM 708 C THR A 45 -4.972 -11.934 -9.880 1.00 0.00 C ATOM 709 O THR A 45 -4.188 -11.014 -9.660 1.00 0.00 O ATOM 710 CB THR A 45 -4.848 -13.026 -12.131 1.00 0.00 C ATOM 711 OG1 THR A 45 -4.588 -12.441 -13.396 1.00 0.00 O ATOM 712 CG2 THR A 45 -5.548 -14.345 -12.376 1.00 0.00 C ATOM 0 H THR A 45 -4.913 -10.453 -12.356 1.00 0.00 H new ATOM 0 HA THR A 45 -6.649 -12.473 -11.098 1.00 0.00 H new ATOM 0 HB THR A 45 -3.924 -13.218 -11.585 1.00 0.00 H new ATOM 0 HG1 THR A 45 -4.703 -13.115 -14.098 1.00 0.00 H new ATOM 0 HG21 THR A 45 -4.926 -14.974 -13.013 1.00 0.00 H new ATOM 0 HG22 THR A 45 -5.719 -14.849 -11.424 1.00 0.00 H new ATOM 0 HG23 THR A 45 -6.504 -14.164 -12.867 1.00 0.00 H new ATOM 720 N PRO A 46 -5.259 -12.853 -8.942 1.00 0.00 N ATOM 721 CA PRO A 46 -4.670 -12.832 -7.604 1.00 0.00 C ATOM 722 C PRO A 46 -3.170 -12.538 -7.630 1.00 0.00 C ATOM 723 O PRO A 46 -2.610 -12.036 -6.656 1.00 0.00 O ATOM 724 CB PRO A 46 -4.935 -14.248 -7.063 1.00 0.00 C ATOM 725 CG PRO A 46 -5.552 -15.012 -8.191 1.00 0.00 C ATOM 726 CD PRO A 46 -6.169 -13.989 -9.099 1.00 0.00 C ATOM 0 HA PRO A 46 -5.101 -12.044 -6.987 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -4.009 -14.719 -6.733 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -5.602 -14.218 -6.201 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -4.802 -15.600 -8.720 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -6.304 -15.711 -7.823 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -6.215 -14.335 -10.132 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -7.187 -13.740 -8.801 1.00 0.00 H new ATOM 734 N GLU A 47 -2.524 -12.856 -8.749 1.00 0.00 N ATOM 735 CA GLU A 47 -1.092 -12.625 -8.895 1.00 0.00 C ATOM 736 C GLU A 47 -0.809 -11.407 -9.775 1.00 0.00 C ATOM 737 O GLU A 47 0.104 -10.631 -9.495 1.00 0.00 O ATOM 738 CB GLU A 47 -0.415 -13.863 -9.486 1.00 0.00 C ATOM 739 CG GLU A 47 0.122 -14.823 -8.437 1.00 0.00 C ATOM 740 CD GLU A 47 -0.930 -15.226 -7.422 1.00 0.00 C ATOM 741 OE1 GLU A 47 -2.094 -15.435 -7.824 1.00 0.00 O ATOM 742 OE2 GLU A 47 -0.591 -15.332 -6.225 1.00 0.00 O ATOM 0 H GLU A 47 -2.970 -13.274 -9.566 1.00 0.00 H new ATOM 0 HA GLU A 47 -0.684 -12.428 -7.904 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.130 -14.391 -10.117 1.00 0.00 H new ATOM 0 HB3 GLU A 47 0.405 -13.546 -10.130 1.00 0.00 H new ATOM 0 HG2 GLU A 47 0.507 -15.716 -8.930 1.00 0.00 H new ATOM 0 HG3 GLU A 47 0.961 -14.358 -7.920 1.00 0.00 H new ATOM 749 N GLN A 48 -1.589 -11.247 -10.842 1.00 0.00 N ATOM 750 CA GLN A 48 -1.405 -10.125 -11.758 1.00 0.00 C ATOM 751 C GLN A 48 -2.036 -8.843 -11.217 1.00 0.00 C ATOM 752 O GLN A 48 -1.846 -7.766 -11.779 1.00 0.00 O ATOM 753 CB GLN A 48 -2.000 -10.458 -13.128 1.00 0.00 C ATOM 754 CG GLN A 48 -1.203 -11.497 -13.900 1.00 0.00 C ATOM 755 CD GLN A 48 -2.083 -12.567 -14.517 1.00 0.00 C ATOM 756 OE1 GLN A 48 -2.373 -13.586 -13.890 1.00 0.00 O ATOM 757 NE2 GLN A 48 -2.513 -12.341 -15.753 1.00 0.00 N ATOM 0 H GLN A 48 -2.351 -11.877 -11.092 1.00 0.00 H new ATOM 0 HA GLN A 48 -0.333 -9.955 -11.858 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -3.019 -10.820 -12.994 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -2.061 -9.545 -13.720 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -0.634 -11.002 -14.687 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -0.481 -11.966 -13.231 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -2.248 -11.483 -16.236 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -3.108 -13.026 -16.219 1.00 0.00 H new ATOM 766 N ALA A 49 -2.787 -8.960 -10.125 1.00 0.00 N ATOM 767 CA ALA A 49 -3.435 -7.803 -9.525 1.00 0.00 C ATOM 768 C ALA A 49 -2.403 -6.773 -9.089 1.00 0.00 C ATOM 769 O ALA A 49 -2.473 -5.611 -9.480 1.00 0.00 O ATOM 770 CB ALA A 49 -4.293 -8.229 -8.345 1.00 0.00 C ATOM 0 H ALA A 49 -2.960 -9.841 -9.641 1.00 0.00 H new ATOM 0 HA ALA A 49 -4.079 -7.344 -10.275 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -4.771 -7.352 -7.907 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -5.058 -8.927 -8.685 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -3.667 -8.713 -7.596 1.00 0.00 H new ATOM 776 N VAL A 50 -1.446 -7.208 -8.277 1.00 0.00 N ATOM 777 CA VAL A 50 -0.398 -6.317 -7.791 1.00 0.00 C ATOM 778 C VAL A 50 0.666 -6.083 -8.860 1.00 0.00 C ATOM 779 O VAL A 50 1.072 -4.949 -9.108 1.00 0.00 O ATOM 780 CB VAL A 50 0.274 -6.861 -6.505 1.00 0.00 C ATOM 781 CG1 VAL A 50 -0.748 -7.533 -5.600 1.00 0.00 C ATOM 782 CG2 VAL A 50 1.408 -7.826 -6.837 1.00 0.00 C ATOM 0 H VAL A 50 -1.374 -8.169 -7.942 1.00 0.00 H new ATOM 0 HA VAL A 50 -0.881 -5.370 -7.552 1.00 0.00 H new ATOM 0 HB VAL A 50 0.700 -6.011 -5.973 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.251 -7.906 -4.704 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -1.513 -6.811 -5.316 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -1.213 -8.364 -6.130 1.00 0.00 H new ATOM 0 HG21 VAL A 50 1.859 -8.190 -5.913 1.00 0.00 H new ATOM 0 HG22 VAL A 50 1.014 -8.669 -7.405 1.00 0.00 H new ATOM 0 HG23 VAL A 50 2.163 -7.310 -7.430 1.00 0.00 H new ATOM 792 N VAL A 51 1.121 -7.169 -9.479 1.00 0.00 N ATOM 793 CA VAL A 51 2.150 -7.092 -10.509 1.00 0.00 C ATOM 794 C VAL A 51 1.754 -6.119 -11.610 1.00 0.00 C ATOM 795 O VAL A 51 2.593 -5.393 -12.142 1.00 0.00 O ATOM 796 CB VAL A 51 2.432 -8.475 -11.130 1.00 0.00 C ATOM 797 CG1 VAL A 51 3.596 -8.398 -12.107 1.00 0.00 C ATOM 798 CG2 VAL A 51 2.711 -9.503 -10.042 1.00 0.00 C ATOM 0 H VAL A 51 0.792 -8.114 -9.284 1.00 0.00 H new ATOM 0 HA VAL A 51 3.057 -6.733 -10.023 1.00 0.00 H new ATOM 0 HB VAL A 51 1.546 -8.790 -11.680 1.00 0.00 H new ATOM 0 HG11 VAL A 51 3.779 -9.384 -12.534 1.00 0.00 H new ATOM 0 HG12 VAL A 51 3.355 -7.696 -12.905 1.00 0.00 H new ATOM 0 HG13 VAL A 51 4.489 -8.059 -11.583 1.00 0.00 H new ATOM 0 HG21 VAL A 51 2.908 -10.473 -10.499 1.00 0.00 H new ATOM 0 HG22 VAL A 51 3.580 -9.192 -9.462 1.00 0.00 H new ATOM 0 HG23 VAL A 51 1.845 -9.581 -9.384 1.00 0.00 H new ATOM 808 N ARG A 52 0.472 -6.111 -11.950 1.00 0.00 N ATOM 809 CA ARG A 52 -0.025 -5.227 -12.990 1.00 0.00 C ATOM 810 C ARG A 52 -0.197 -3.803 -12.470 1.00 0.00 C ATOM 811 O ARG A 52 0.301 -2.848 -13.067 1.00 0.00 O ATOM 812 CB ARG A 52 -1.353 -5.746 -13.546 1.00 0.00 C ATOM 813 CG ARG A 52 -1.819 -5.010 -14.792 1.00 0.00 C ATOM 814 CD ARG A 52 -1.386 -5.729 -16.059 1.00 0.00 C ATOM 815 NE ARG A 52 0.061 -5.673 -16.254 1.00 0.00 N ATOM 816 CZ ARG A 52 0.712 -4.590 -16.670 1.00 0.00 C ATOM 817 NH1 ARG A 52 0.049 -3.471 -16.936 1.00 0.00 N ATOM 818 NH2 ARG A 52 2.029 -4.623 -16.820 1.00 0.00 N ATOM 0 H ARG A 52 -0.238 -6.705 -11.522 1.00 0.00 H new ATOM 0 HA ARG A 52 0.713 -5.210 -13.792 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -1.251 -6.806 -13.777 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -2.119 -5.660 -12.775 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -2.905 -4.919 -14.777 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -1.414 -3.998 -14.791 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -1.705 -6.770 -16.012 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -1.885 -5.281 -16.918 1.00 0.00 H new ATOM 0 HE ARG A 52 0.604 -6.514 -16.060 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -0.964 -3.439 -16.822 1.00 0.00 H new ATOM 0 HH12 ARG A 52 0.553 -2.643 -17.255 1.00 0.00 H new ATOM 0 HH21 ARG A 52 2.544 -5.479 -16.616 1.00 0.00 H new ATOM 0 HH22 ARG A 52 2.527 -3.792 -17.139 1.00 0.00 H new ATOM 832 N GLU A 53 -0.908 -3.669 -11.356 1.00 0.00 N ATOM 833 CA GLU A 53 -1.153 -2.364 -10.755 1.00 0.00 C ATOM 834 C GLU A 53 0.143 -1.728 -10.262 1.00 0.00 C ATOM 835 O GLU A 53 0.203 -0.520 -10.056 1.00 0.00 O ATOM 836 CB GLU A 53 -2.141 -2.487 -9.592 1.00 0.00 C ATOM 837 CG GLU A 53 -3.549 -2.037 -9.940 1.00 0.00 C ATOM 838 CD GLU A 53 -3.652 -0.536 -10.116 1.00 0.00 C ATOM 839 OE1 GLU A 53 -2.599 0.121 -10.245 1.00 0.00 O ATOM 840 OE2 GLU A 53 -4.789 -0.016 -10.122 1.00 0.00 O ATOM 0 H GLU A 53 -1.325 -4.450 -10.850 1.00 0.00 H new ATOM 0 HA GLU A 53 -1.581 -1.722 -11.525 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -2.172 -3.525 -9.261 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.776 -1.895 -8.752 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.868 -2.530 -10.858 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -4.233 -2.355 -9.153 1.00 0.00 H new ATOM 847 N LEU A 54 1.173 -2.543 -10.062 1.00 0.00 N ATOM 848 CA LEU A 54 2.453 -2.035 -9.583 1.00 0.00 C ATOM 849 C LEU A 54 3.044 -1.034 -10.562 1.00 0.00 C ATOM 850 O LEU A 54 3.517 0.028 -10.164 1.00 0.00 O ATOM 851 CB LEU A 54 3.431 -3.183 -9.360 1.00 0.00 C ATOM 852 CG LEU A 54 3.844 -3.400 -7.906 1.00 0.00 C ATOM 853 CD1 LEU A 54 2.631 -3.372 -6.985 1.00 0.00 C ATOM 854 CD2 LEU A 54 4.590 -4.711 -7.776 1.00 0.00 C ATOM 0 H LEU A 54 1.148 -3.550 -10.223 1.00 0.00 H new ATOM 0 HA LEU A 54 2.278 -1.527 -8.635 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.982 -4.102 -9.736 1.00 0.00 H new ATOM 0 HB3 LEU A 54 4.326 -2.999 -9.954 1.00 0.00 H new ATOM 0 HG LEU A 54 4.505 -2.588 -7.605 1.00 0.00 H new ATOM 0 HD11 LEU A 54 2.952 -3.529 -5.955 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.134 -2.405 -7.067 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.937 -4.162 -7.273 1.00 0.00 H new ATOM 0 HD21 LEU A 54 4.883 -4.862 -6.737 1.00 0.00 H new ATOM 0 HD22 LEU A 54 3.945 -5.530 -8.094 1.00 0.00 H new ATOM 0 HD23 LEU A 54 5.481 -4.687 -8.404 1.00 0.00 H new ATOM 866 N GLN A 55 3.001 -1.364 -11.845 1.00 0.00 N ATOM 867 CA GLN A 55 3.518 -0.467 -12.865 1.00 0.00 C ATOM 868 C GLN A 55 2.682 0.802 -12.882 1.00 0.00 C ATOM 869 O GLN A 55 3.194 1.902 -13.091 1.00 0.00 O ATOM 870 CB GLN A 55 3.494 -1.143 -14.239 1.00 0.00 C ATOM 871 CG GLN A 55 4.876 -1.372 -14.828 1.00 0.00 C ATOM 872 CD GLN A 55 5.484 -2.691 -14.392 1.00 0.00 C ATOM 873 OE1 GLN A 55 4.772 -3.616 -14.000 1.00 0.00 O ATOM 874 NE2 GLN A 55 6.807 -2.785 -14.460 1.00 0.00 N ATOM 0 H GLN A 55 2.617 -2.239 -12.201 1.00 0.00 H new ATOM 0 HA GLN A 55 4.553 -0.216 -12.633 1.00 0.00 H new ATOM 0 HB2 GLN A 55 2.981 -2.101 -14.155 1.00 0.00 H new ATOM 0 HB3 GLN A 55 2.912 -0.529 -14.927 1.00 0.00 H new ATOM 0 HG2 GLN A 55 4.812 -1.348 -15.916 1.00 0.00 H new ATOM 0 HG3 GLN A 55 5.534 -0.556 -14.529 1.00 0.00 H new ATOM 0 HE21 GLN A 55 7.358 -1.993 -14.791 1.00 0.00 H new ATOM 0 HE22 GLN A 55 7.272 -3.649 -14.181 1.00 0.00 H new ATOM 883 N GLU A 56 1.387 0.633 -12.642 1.00 0.00 N ATOM 884 CA GLU A 56 0.457 1.751 -12.607 1.00 0.00 C ATOM 885 C GLU A 56 0.564 2.513 -11.300 1.00 0.00 C ATOM 886 O GLU A 56 0.228 3.694 -11.238 1.00 0.00 O ATOM 887 CB GLU A 56 -0.974 1.256 -12.773 1.00 0.00 C ATOM 888 CG GLU A 56 -1.999 2.373 -12.888 1.00 0.00 C ATOM 889 CD GLU A 56 -3.245 2.110 -12.062 1.00 0.00 C ATOM 890 OE1 GLU A 56 -3.232 2.419 -10.852 1.00 0.00 O ATOM 891 OE2 GLU A 56 -4.232 1.596 -12.628 1.00 0.00 O ATOM 0 H GLU A 56 0.957 -0.275 -12.468 1.00 0.00 H new ATOM 0 HA GLU A 56 0.716 2.418 -13.429 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -1.031 0.630 -13.663 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -1.232 0.625 -11.922 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -1.546 3.311 -12.567 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -2.280 2.497 -13.934 1.00 0.00 H new ATOM 898 N GLU A 57 0.998 1.831 -10.243 1.00 0.00 N ATOM 899 CA GLU A 57 1.097 2.470 -8.943 1.00 0.00 C ATOM 900 C GLU A 57 2.548 2.716 -8.527 1.00 0.00 C ATOM 901 O GLU A 57 2.812 3.180 -7.418 1.00 0.00 O ATOM 902 CB GLU A 57 0.377 1.634 -7.890 1.00 0.00 C ATOM 903 CG GLU A 57 -1.119 1.513 -8.141 1.00 0.00 C ATOM 904 CD GLU A 57 -1.924 2.573 -7.415 1.00 0.00 C ATOM 905 OE1 GLU A 57 -1.862 2.615 -6.168 1.00 0.00 O ATOM 906 OE2 GLU A 57 -2.617 3.360 -8.091 1.00 0.00 O ATOM 0 H GLU A 57 1.282 0.851 -10.264 1.00 0.00 H new ATOM 0 HA GLU A 57 0.616 3.445 -9.022 1.00 0.00 H new ATOM 0 HB2 GLU A 57 0.816 0.637 -7.864 1.00 0.00 H new ATOM 0 HB3 GLU A 57 0.539 2.079 -6.908 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -1.310 1.588 -9.211 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -1.457 0.526 -7.825 1.00 0.00 H new ATOM 913 N VAL A 58 3.481 2.426 -9.427 1.00 0.00 N ATOM 914 CA VAL A 58 4.896 2.640 -9.160 1.00 0.00 C ATOM 915 C VAL A 58 5.546 3.312 -10.356 1.00 0.00 C ATOM 916 O VAL A 58 6.316 4.262 -10.214 1.00 0.00 O ATOM 917 CB VAL A 58 5.631 1.317 -8.861 1.00 0.00 C ATOM 918 CG1 VAL A 58 7.083 1.579 -8.495 1.00 0.00 C ATOM 919 CG2 VAL A 58 4.935 0.554 -7.748 1.00 0.00 C ATOM 0 H VAL A 58 3.281 2.041 -10.350 1.00 0.00 H new ATOM 0 HA VAL A 58 4.972 3.277 -8.279 1.00 0.00 H new ATOM 0 HB VAL A 58 5.607 0.707 -9.764 1.00 0.00 H new ATOM 0 HG11 VAL A 58 7.583 0.633 -8.288 1.00 0.00 H new ATOM 0 HG12 VAL A 58 7.583 2.079 -9.324 1.00 0.00 H new ATOM 0 HG13 VAL A 58 7.126 2.213 -7.610 1.00 0.00 H new ATOM 0 HG21 VAL A 58 5.470 -0.375 -7.554 1.00 0.00 H new ATOM 0 HG22 VAL A 58 4.923 1.161 -6.843 1.00 0.00 H new ATOM 0 HG23 VAL A 58 3.912 0.328 -8.047 1.00 0.00 H new ATOM 929 N GLY A 59 5.209 2.812 -11.542 1.00 0.00 N ATOM 930 CA GLY A 59 5.737 3.364 -12.771 1.00 0.00 C ATOM 931 C GLY A 59 7.214 3.107 -12.971 1.00 0.00 C ATOM 932 O GLY A 59 7.657 2.800 -14.078 1.00 0.00 O ATOM 0 H GLY A 59 4.572 2.026 -11.670 1.00 0.00 H new ATOM 0 HA2 GLY A 59 5.187 2.943 -13.613 1.00 0.00 H new ATOM 0 HA3 GLY A 59 5.560 4.440 -12.781 1.00 0.00 H new ATOM 936 N ILE A 60 7.970 3.242 -11.905 1.00 0.00 N ATOM 937 CA ILE A 60 9.408 3.037 -11.950 1.00 0.00 C ATOM 938 C ILE A 60 9.758 1.557 -11.960 1.00 0.00 C ATOM 939 O ILE A 60 8.879 0.695 -11.978 1.00 0.00 O ATOM 940 CB ILE A 60 10.142 3.701 -10.759 1.00 0.00 C ATOM 941 CG1 ILE A 60 9.224 3.925 -9.557 1.00 0.00 C ATOM 942 CG2 ILE A 60 10.783 5.011 -11.188 1.00 0.00 C ATOM 943 CD1 ILE A 60 9.953 3.844 -8.233 1.00 0.00 C ATOM 0 H ILE A 60 7.612 3.496 -10.984 1.00 0.00 H new ATOM 0 HA ILE A 60 9.741 3.507 -12.875 1.00 0.00 H new ATOM 0 HB ILE A 60 10.922 3.009 -10.442 1.00 0.00 H new ATOM 0 HG12 ILE A 60 8.751 4.903 -9.646 1.00 0.00 H new ATOM 0 HG13 ILE A 60 8.426 3.182 -9.572 1.00 0.00 H new ATOM 0 HG21 ILE A 60 11.294 5.462 -10.337 1.00 0.00 H new ATOM 0 HG22 ILE A 60 11.503 4.820 -11.984 1.00 0.00 H new ATOM 0 HG23 ILE A 60 10.013 5.691 -11.551 1.00 0.00 H new ATOM 0 HD11 ILE A 60 9.248 4.011 -7.419 1.00 0.00 H new ATOM 0 HD12 ILE A 60 10.404 2.857 -8.126 1.00 0.00 H new ATOM 0 HD13 ILE A 60 10.733 4.605 -8.200 1.00 0.00 H new ATOM 955 N THR A 61 11.056 1.278 -11.950 1.00 0.00 N ATOM 956 CA THR A 61 11.559 -0.075 -11.955 1.00 0.00 C ATOM 957 C THR A 61 12.261 -0.372 -10.636 1.00 0.00 C ATOM 958 O THR A 61 13.458 -0.123 -10.495 1.00 0.00 O ATOM 959 CB THR A 61 12.542 -0.209 -13.102 1.00 0.00 C ATOM 960 OG1 THR A 61 13.212 1.020 -13.327 1.00 0.00 O ATOM 961 CG2 THR A 61 11.892 -0.616 -14.403 1.00 0.00 C ATOM 0 H THR A 61 11.785 1.991 -11.938 1.00 0.00 H new ATOM 0 HA THR A 61 10.738 -0.781 -12.077 1.00 0.00 H new ATOM 0 HB THR A 61 13.236 -0.994 -12.800 1.00 0.00 H new ATOM 0 HG1 THR A 61 13.844 0.917 -14.069 1.00 0.00 H new ATOM 0 HG21 THR A 61 12.652 -0.693 -15.181 1.00 0.00 H new ATOM 0 HG22 THR A 61 11.401 -1.581 -14.278 1.00 0.00 H new ATOM 0 HG23 THR A 61 11.153 0.132 -14.690 1.00 0.00 H new ATOM 969 N PRO A 62 11.520 -0.857 -9.630 1.00 0.00 N ATOM 970 CA PRO A 62 12.049 -1.127 -8.312 1.00 0.00 C ATOM 971 C PRO A 62 12.148 -2.601 -7.964 1.00 0.00 C ATOM 972 O PRO A 62 11.324 -3.404 -8.402 1.00 0.00 O ATOM 973 CB PRO A 62 10.943 -0.500 -7.480 1.00 0.00 C ATOM 974 CG PRO A 62 9.690 -0.912 -8.192 1.00 0.00 C ATOM 975 CD PRO A 62 10.074 -1.122 -9.642 1.00 0.00 C ATOM 0 HA PRO A 62 13.066 -0.759 -8.179 1.00 0.00 H new ATOM 0 HB2 PRO A 62 10.959 -0.864 -6.453 1.00 0.00 H new ATOM 0 HB3 PRO A 62 11.041 0.585 -7.435 1.00 0.00 H new ATOM 0 HG2 PRO A 62 9.281 -1.826 -7.762 1.00 0.00 H new ATOM 0 HG3 PRO A 62 8.921 -0.145 -8.101 1.00 0.00 H new ATOM 0 HD2 PRO A 62 9.850 -2.134 -9.979 1.00 0.00 H new ATOM 0 HD3 PRO A 62 9.542 -0.440 -10.305 1.00 0.00 H new ATOM 983 N GLN A 63 13.111 -2.947 -7.113 1.00 0.00 N ATOM 984 CA GLN A 63 13.221 -4.318 -6.661 1.00 0.00 C ATOM 985 C GLN A 63 12.097 -4.520 -5.664 1.00 0.00 C ATOM 986 O GLN A 63 12.282 -4.425 -4.450 1.00 0.00 O ATOM 987 CB GLN A 63 14.580 -4.579 -6.011 1.00 0.00 C ATOM 988 CG GLN A 63 15.727 -4.628 -7.006 1.00 0.00 C ATOM 989 CD GLN A 63 17.075 -4.800 -6.336 1.00 0.00 C ATOM 990 OE1 GLN A 63 18.025 -4.074 -6.629 1.00 0.00 O ATOM 991 NE2 GLN A 63 17.166 -5.767 -5.429 1.00 0.00 N ATOM 0 H GLN A 63 13.809 -2.308 -6.733 1.00 0.00 H new ATOM 0 HA GLN A 63 13.144 -5.015 -7.496 1.00 0.00 H new ATOM 0 HB2 GLN A 63 14.779 -3.798 -5.277 1.00 0.00 H new ATOM 0 HB3 GLN A 63 14.539 -5.523 -5.468 1.00 0.00 H new ATOM 0 HG2 GLN A 63 15.564 -5.451 -7.702 1.00 0.00 H new ATOM 0 HG3 GLN A 63 15.732 -3.710 -7.594 1.00 0.00 H new ATOM 0 HE21 GLN A 63 16.353 -6.345 -5.217 1.00 0.00 H new ATOM 0 HE22 GLN A 63 18.049 -5.931 -4.945 1.00 0.00 H new ATOM 1000 N HIS A 64 10.915 -4.738 -6.213 1.00 0.00 N ATOM 1001 CA HIS A 64 9.702 -4.889 -5.431 1.00 0.00 C ATOM 1002 C HIS A 64 9.008 -6.192 -5.788 1.00 0.00 C ATOM 1003 O HIS A 64 8.778 -6.476 -6.964 1.00 0.00 O ATOM 1004 CB HIS A 64 8.803 -3.687 -5.738 1.00 0.00 C ATOM 1005 CG HIS A 64 7.356 -3.860 -5.383 1.00 0.00 C ATOM 1006 ND1 HIS A 64 6.901 -4.800 -4.483 1.00 0.00 N ATOM 1007 CD2 HIS A 64 6.257 -3.194 -5.811 1.00 0.00 C ATOM 1008 CE1 HIS A 64 5.588 -4.707 -4.376 1.00 0.00 C ATOM 1009 NE2 HIS A 64 5.172 -3.738 -5.169 1.00 0.00 N ATOM 0 H HIS A 64 10.770 -4.816 -7.220 1.00 0.00 H new ATOM 0 HA HIS A 64 9.929 -4.923 -4.365 1.00 0.00 H new ATOM 0 HB2 HIS A 64 9.190 -2.819 -5.203 1.00 0.00 H new ATOM 0 HB3 HIS A 64 8.874 -3.464 -6.802 1.00 0.00 H new ATOM 0 HD1 HIS A 64 7.488 -5.464 -3.978 1.00 0.00 H new ATOM 0 HD2 HIS A 64 6.238 -2.384 -6.525 1.00 0.00 H new ATOM 0 HE1 HIS A 64 4.961 -5.320 -3.746 1.00 0.00 H new ATOM 1018 N PHE A 65 8.691 -6.998 -4.780 1.00 0.00 N ATOM 1019 CA PHE A 65 8.046 -8.273 -5.036 1.00 0.00 C ATOM 1020 C PHE A 65 7.683 -9.010 -3.757 1.00 0.00 C ATOM 1021 O PHE A 65 6.623 -9.628 -3.658 1.00 0.00 O ATOM 1022 CB PHE A 65 8.992 -9.128 -5.857 1.00 0.00 C ATOM 1023 CG PHE A 65 8.301 -10.136 -6.731 1.00 0.00 C ATOM 1024 CD1 PHE A 65 7.208 -9.766 -7.499 1.00 0.00 C ATOM 1025 CD2 PHE A 65 8.741 -11.448 -6.786 1.00 0.00 C ATOM 1026 CE1 PHE A 65 6.568 -10.686 -8.306 1.00 0.00 C ATOM 1027 CE2 PHE A 65 8.105 -12.374 -7.592 1.00 0.00 C ATOM 1028 CZ PHE A 65 7.016 -11.991 -8.353 1.00 0.00 C ATOM 0 H PHE A 65 8.868 -6.793 -3.796 1.00 0.00 H new ATOM 0 HA PHE A 65 7.115 -8.082 -5.571 1.00 0.00 H new ATOM 0 HB2 PHE A 65 9.603 -8.478 -6.483 1.00 0.00 H new ATOM 0 HB3 PHE A 65 9.671 -9.651 -5.183 1.00 0.00 H new ATOM 0 HD1 PHE A 65 6.853 -8.747 -7.466 1.00 0.00 H new ATOM 0 HD2 PHE A 65 9.591 -11.751 -6.192 1.00 0.00 H new ATOM 0 HE1 PHE A 65 5.718 -10.385 -8.900 1.00 0.00 H new ATOM 0 HE2 PHE A 65 8.458 -13.394 -7.627 1.00 0.00 H new ATOM 0 HZ PHE A 65 6.516 -12.712 -8.983 1.00 0.00 H new ATOM 1038 N SER A 66 8.587 -8.955 -2.800 1.00 0.00 N ATOM 1039 CA SER A 66 8.412 -9.630 -1.514 1.00 0.00 C ATOM 1040 C SER A 66 6.984 -9.491 -0.987 1.00 0.00 C ATOM 1041 O SER A 66 6.221 -8.641 -1.444 1.00 0.00 O ATOM 1042 CB SER A 66 9.400 -9.073 -0.488 1.00 0.00 C ATOM 1043 OG SER A 66 10.732 -9.432 -0.815 1.00 0.00 O ATOM 0 H SER A 66 9.466 -8.444 -2.884 1.00 0.00 H new ATOM 0 HA SER A 66 8.607 -10.691 -1.672 1.00 0.00 H new ATOM 0 HB2 SER A 66 9.312 -7.987 -0.446 1.00 0.00 H new ATOM 0 HB3 SER A 66 9.151 -9.451 0.504 1.00 0.00 H new ATOM 0 HG SER A 66 11.344 -9.062 -0.145 1.00 0.00 H new ATOM 1049 N LEU A 67 6.635 -10.335 -0.019 1.00 0.00 N ATOM 1050 CA LEU A 67 5.321 -10.320 0.583 1.00 0.00 C ATOM 1051 C LEU A 67 5.427 -9.963 2.063 1.00 0.00 C ATOM 1052 O LEU A 67 6.093 -10.656 2.832 1.00 0.00 O ATOM 1053 CB LEU A 67 4.651 -11.691 0.419 1.00 0.00 C ATOM 1054 CG LEU A 67 3.128 -11.706 0.592 1.00 0.00 C ATOM 1055 CD1 LEU A 67 2.681 -12.989 1.275 1.00 0.00 C ATOM 1056 CD2 LEU A 67 2.672 -10.495 1.386 1.00 0.00 C ATOM 0 H LEU A 67 7.260 -11.044 0.364 1.00 0.00 H new ATOM 0 HA LEU A 67 4.712 -9.568 0.082 1.00 0.00 H new ATOM 0 HB2 LEU A 67 4.890 -12.077 -0.572 1.00 0.00 H new ATOM 0 HB3 LEU A 67 5.088 -12.379 1.143 1.00 0.00 H new ATOM 0 HG LEU A 67 2.669 -11.664 -0.396 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.597 -12.982 1.389 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.976 -13.846 0.669 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.149 -13.061 2.257 1.00 0.00 H new ATOM 0 HD21 LEU A 67 1.588 -10.521 1.499 1.00 0.00 H new ATOM 0 HD22 LEU A 67 3.140 -10.508 2.370 1.00 0.00 H new ATOM 0 HD23 LEU A 67 2.960 -9.585 0.859 1.00 0.00 H new ATOM 1068 N PHE A 68 4.771 -8.876 2.456 1.00 0.00 N ATOM 1069 CA PHE A 68 4.799 -8.432 3.844 1.00 0.00 C ATOM 1070 C PHE A 68 3.677 -9.091 4.648 1.00 0.00 C ATOM 1071 O PHE A 68 3.928 -9.746 5.659 1.00 0.00 O ATOM 1072 CB PHE A 68 4.685 -6.898 3.897 1.00 0.00 C ATOM 1073 CG PHE A 68 3.993 -6.356 5.120 1.00 0.00 C ATOM 1074 CD1 PHE A 68 2.609 -6.332 5.197 1.00 0.00 C ATOM 1075 CD2 PHE A 68 4.726 -5.865 6.188 1.00 0.00 C ATOM 1076 CE1 PHE A 68 1.969 -5.832 6.311 1.00 0.00 C ATOM 1077 CE2 PHE A 68 4.091 -5.361 7.308 1.00 0.00 C ATOM 1078 CZ PHE A 68 2.711 -5.345 7.369 1.00 0.00 C ATOM 0 H PHE A 68 4.215 -8.288 1.835 1.00 0.00 H new ATOM 0 HA PHE A 68 5.746 -8.731 4.293 1.00 0.00 H new ATOM 0 HB2 PHE A 68 5.687 -6.472 3.845 1.00 0.00 H new ATOM 0 HB3 PHE A 68 4.147 -6.557 3.012 1.00 0.00 H new ATOM 0 HD1 PHE A 68 2.024 -6.711 4.372 1.00 0.00 H new ATOM 0 HD2 PHE A 68 5.805 -5.876 6.145 1.00 0.00 H new ATOM 0 HE1 PHE A 68 0.890 -5.821 6.356 1.00 0.00 H new ATOM 0 HE2 PHE A 68 4.673 -4.980 8.134 1.00 0.00 H new ATOM 0 HZ PHE A 68 2.213 -4.952 8.243 1.00 0.00 H new ATOM 1088 N GLU A 69 2.443 -8.910 4.191 1.00 0.00 N ATOM 1089 CA GLU A 69 1.286 -9.484 4.866 1.00 0.00 C ATOM 1090 C GLU A 69 0.023 -9.286 4.035 1.00 0.00 C ATOM 1091 O GLU A 69 -0.015 -8.447 3.139 1.00 0.00 O ATOM 1092 CB GLU A 69 1.108 -8.850 6.246 1.00 0.00 C ATOM 1093 CG GLU A 69 0.682 -9.839 7.320 1.00 0.00 C ATOM 1094 CD GLU A 69 -0.618 -9.446 7.994 1.00 0.00 C ATOM 1095 OE1 GLU A 69 -1.445 -8.772 7.344 1.00 0.00 O ATOM 1096 OE2 GLU A 69 -0.809 -9.810 9.173 1.00 0.00 O ATOM 0 H GLU A 69 2.219 -8.370 3.355 1.00 0.00 H new ATOM 0 HA GLU A 69 1.458 -10.554 4.986 1.00 0.00 H new ATOM 0 HB2 GLU A 69 2.046 -8.383 6.546 1.00 0.00 H new ATOM 0 HB3 GLU A 69 0.364 -8.056 6.179 1.00 0.00 H new ATOM 0 HG2 GLU A 69 0.571 -10.828 6.875 1.00 0.00 H new ATOM 0 HG3 GLU A 69 1.468 -9.914 8.071 1.00 0.00 H new ATOM 1103 N LYS A 70 -1.014 -10.051 4.340 1.00 0.00 N ATOM 1104 CA LYS A 70 -2.273 -9.934 3.618 1.00 0.00 C ATOM 1105 C LYS A 70 -3.457 -10.134 4.559 1.00 0.00 C ATOM 1106 O LYS A 70 -3.486 -11.085 5.340 1.00 0.00 O ATOM 1107 CB LYS A 70 -2.330 -10.951 2.477 1.00 0.00 C ATOM 1108 CG LYS A 70 -1.897 -12.350 2.887 1.00 0.00 C ATOM 1109 CD LYS A 70 -0.806 -12.888 1.975 1.00 0.00 C ATOM 1110 CE LYS A 70 -1.390 -13.545 0.736 1.00 0.00 C ATOM 1111 NZ LYS A 70 -0.602 -14.737 0.314 1.00 0.00 N ATOM 0 H LYS A 70 -1.010 -10.755 5.078 1.00 0.00 H new ATOM 0 HA LYS A 70 -2.332 -8.930 3.198 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -3.348 -10.994 2.090 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -1.693 -10.607 1.662 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -1.537 -12.333 3.916 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -2.757 -13.020 2.861 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -0.144 -12.074 1.679 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -0.199 -13.611 2.520 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -2.420 -13.842 0.934 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -1.418 -12.822 -0.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -1.034 -15.156 -0.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 0.374 -14.450 0.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -0.596 -15.439 1.082 1.00 0.00 H new ATOM 1125 N LEU A 71 -4.433 -9.235 4.481 1.00 0.00 N ATOM 1126 CA LEU A 71 -5.614 -9.317 5.326 1.00 0.00 C ATOM 1127 C LEU A 71 -6.881 -9.404 4.480 1.00 0.00 C ATOM 1128 O LEU A 71 -7.057 -8.642 3.529 1.00 0.00 O ATOM 1129 CB LEU A 71 -5.682 -8.100 6.252 1.00 0.00 C ATOM 1130 CG LEU A 71 -6.964 -7.983 7.075 1.00 0.00 C ATOM 1131 CD1 LEU A 71 -6.776 -8.609 8.448 1.00 0.00 C ATOM 1132 CD2 LEU A 71 -7.387 -6.528 7.204 1.00 0.00 C ATOM 0 H LEU A 71 -4.427 -8.442 3.840 1.00 0.00 H new ATOM 0 HA LEU A 71 -5.543 -10.222 5.930 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -4.833 -8.134 6.934 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -5.571 -7.198 5.650 1.00 0.00 H new ATOM 0 HG LEU A 71 -7.755 -8.524 6.556 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -7.699 -8.516 9.020 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -6.523 -9.663 8.336 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -5.970 -8.097 8.974 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -8.302 -6.466 7.793 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -6.598 -5.962 7.699 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -7.565 -6.112 6.213 1.00 0.00 H new ATOM 1144 N GLU A 72 -7.761 -10.333 4.835 1.00 0.00 N ATOM 1145 CA GLU A 72 -9.011 -10.518 4.113 1.00 0.00 C ATOM 1146 C GLU A 72 -10.189 -10.572 5.083 1.00 0.00 C ATOM 1147 O GLU A 72 -10.350 -11.538 5.829 1.00 0.00 O ATOM 1148 CB GLU A 72 -8.944 -11.801 3.276 1.00 0.00 C ATOM 1149 CG GLU A 72 -10.304 -12.367 2.901 1.00 0.00 C ATOM 1150 CD GLU A 72 -10.238 -13.314 1.719 1.00 0.00 C ATOM 1151 OE1 GLU A 72 -9.247 -13.249 0.962 1.00 0.00 O ATOM 1152 OE2 GLU A 72 -11.176 -14.120 1.550 1.00 0.00 O ATOM 0 H GLU A 72 -7.630 -10.970 5.620 1.00 0.00 H new ATOM 0 HA GLU A 72 -9.160 -9.669 3.446 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -8.382 -11.599 2.364 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -8.388 -12.556 3.832 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -10.724 -12.892 3.759 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -10.982 -11.547 2.667 1.00 0.00 H new ATOM 1159 N TYR A 73 -11.011 -9.527 5.065 1.00 0.00 N ATOM 1160 CA TYR A 73 -12.177 -9.452 5.937 1.00 0.00 C ATOM 1161 C TYR A 73 -13.359 -8.831 5.201 1.00 0.00 C ATOM 1162 O TYR A 73 -13.185 -7.936 4.374 1.00 0.00 O ATOM 1163 CB TYR A 73 -11.853 -8.636 7.191 1.00 0.00 C ATOM 1164 CG TYR A 73 -11.537 -7.184 6.907 1.00 0.00 C ATOM 1165 CD1 TYR A 73 -10.449 -6.831 6.120 1.00 0.00 C ATOM 1166 CD2 TYR A 73 -12.329 -6.168 7.426 1.00 0.00 C ATOM 1167 CE1 TYR A 73 -10.157 -5.506 5.859 1.00 0.00 C ATOM 1168 CE2 TYR A 73 -12.044 -4.840 7.170 1.00 0.00 C ATOM 1169 CZ TYR A 73 -10.957 -4.515 6.387 1.00 0.00 C ATOM 1170 OH TYR A 73 -10.670 -3.194 6.129 1.00 0.00 O ATOM 0 H TYR A 73 -10.890 -8.719 4.454 1.00 0.00 H new ATOM 0 HA TYR A 73 -12.446 -10.465 6.235 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -12.700 -8.687 7.876 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -11.003 -9.091 7.700 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -9.820 -7.605 5.705 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -13.181 -6.420 8.040 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -9.307 -5.248 5.245 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -12.669 -4.061 7.581 1.00 0.00 H new ATOM 0 HH TYR A 73 -11.331 -2.623 6.574 1.00 0.00 H new ATOM 1180 N GLU A 74 -14.563 -9.308 5.502 1.00 0.00 N ATOM 1181 CA GLU A 74 -15.765 -8.789 4.860 1.00 0.00 C ATOM 1182 C GLU A 74 -16.742 -8.225 5.884 1.00 0.00 C ATOM 1183 O GLU A 74 -16.988 -8.828 6.928 1.00 0.00 O ATOM 1184 CB GLU A 74 -16.452 -9.875 4.029 1.00 0.00 C ATOM 1185 CG GLU A 74 -16.479 -11.237 4.702 1.00 0.00 C ATOM 1186 CD GLU A 74 -16.733 -12.367 3.724 1.00 0.00 C ATOM 1187 OE1 GLU A 74 -17.895 -12.530 3.296 1.00 0.00 O ATOM 1188 OE2 GLU A 74 -15.771 -13.087 3.386 1.00 0.00 O ATOM 0 H GLU A 74 -14.732 -10.049 6.183 1.00 0.00 H new ATOM 0 HA GLU A 74 -15.456 -7.980 4.198 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -17.475 -9.564 3.817 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -15.941 -9.964 3.070 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -15.529 -11.407 5.208 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -17.254 -11.244 5.468 1.00 0.00 H new ATOM 1195 N PHE A 75 -17.296 -7.063 5.566 1.00 0.00 N ATOM 1196 CA PHE A 75 -18.250 -6.394 6.430 1.00 0.00 C ATOM 1197 C PHE A 75 -19.676 -6.652 5.946 1.00 0.00 C ATOM 1198 O PHE A 75 -19.882 -7.069 4.807 1.00 0.00 O ATOM 1199 CB PHE A 75 -17.963 -4.895 6.451 1.00 0.00 C ATOM 1200 CG PHE A 75 -17.166 -4.434 7.641 1.00 0.00 C ATOM 1201 CD1 PHE A 75 -17.383 -4.974 8.901 1.00 0.00 C ATOM 1202 CD2 PHE A 75 -16.198 -3.454 7.496 1.00 0.00 C ATOM 1203 CE1 PHE A 75 -16.648 -4.545 9.989 1.00 0.00 C ATOM 1204 CE2 PHE A 75 -15.460 -3.022 8.582 1.00 0.00 C ATOM 1205 CZ PHE A 75 -15.685 -3.567 9.829 1.00 0.00 C ATOM 0 H PHE A 75 -17.095 -6.560 4.702 1.00 0.00 H new ATOM 0 HA PHE A 75 -18.151 -6.790 7.441 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -17.424 -4.627 5.542 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -18.910 -4.355 6.431 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -18.135 -5.738 9.032 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -16.018 -3.022 6.523 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -16.826 -4.974 10.964 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -14.707 -2.258 8.454 1.00 0.00 H new ATOM 0 HZ PHE A 75 -15.110 -3.230 10.679 1.00 0.00 H new ATOM 1215 N PRO A 76 -20.680 -6.409 6.806 1.00 0.00 N ATOM 1216 CA PRO A 76 -22.088 -6.618 6.460 1.00 0.00 C ATOM 1217 C PRO A 76 -22.499 -5.834 5.220 1.00 0.00 C ATOM 1218 O PRO A 76 -23.083 -4.755 5.320 1.00 0.00 O ATOM 1219 CB PRO A 76 -22.856 -6.120 7.692 1.00 0.00 C ATOM 1220 CG PRO A 76 -21.872 -5.318 8.475 1.00 0.00 C ATOM 1221 CD PRO A 76 -20.525 -5.909 8.175 1.00 0.00 C ATOM 0 HA PRO A 76 -22.291 -7.662 6.221 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -23.714 -5.514 7.401 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -23.239 -6.954 8.280 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -21.909 -4.267 8.189 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -22.090 -5.366 9.542 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -19.733 -5.163 8.245 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -20.272 -6.709 8.870 1.00 0.00 H new ATOM 1229 N ASP A 77 -22.183 -6.398 4.054 1.00 0.00 N ATOM 1230 CA ASP A 77 -22.500 -5.792 2.753 1.00 0.00 C ATOM 1231 C ASP A 77 -21.292 -5.072 2.154 1.00 0.00 C ATOM 1232 O ASP A 77 -21.397 -4.452 1.096 1.00 0.00 O ATOM 1233 CB ASP A 77 -23.683 -4.823 2.855 1.00 0.00 C ATOM 1234 CG ASP A 77 -24.334 -4.560 1.512 1.00 0.00 C ATOM 1235 OD1 ASP A 77 -25.009 -5.473 0.990 1.00 0.00 O ATOM 1236 OD2 ASP A 77 -24.168 -3.442 0.981 1.00 0.00 O ATOM 0 H ASP A 77 -21.698 -7.292 3.981 1.00 0.00 H new ATOM 0 HA ASP A 77 -22.777 -6.611 2.089 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -24.425 -5.231 3.541 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -23.340 -3.880 3.280 1.00 0.00 H new ATOM 1241 N ARG A 78 -20.144 -5.157 2.823 1.00 0.00 N ATOM 1242 CA ARG A 78 -18.928 -4.512 2.336 1.00 0.00 C ATOM 1243 C ARG A 78 -17.722 -5.433 2.492 1.00 0.00 C ATOM 1244 O ARG A 78 -17.101 -5.480 3.553 1.00 0.00 O ATOM 1245 CB ARG A 78 -18.682 -3.198 3.080 1.00 0.00 C ATOM 1246 CG ARG A 78 -17.794 -2.228 2.318 1.00 0.00 C ATOM 1247 CD ARG A 78 -17.755 -0.860 2.982 1.00 0.00 C ATOM 1248 NE ARG A 78 -17.075 -0.895 4.277 1.00 0.00 N ATOM 1249 CZ ARG A 78 -16.466 0.157 4.827 1.00 0.00 C ATOM 1250 NH1 ARG A 78 -16.450 1.328 4.202 1.00 0.00 N ATOM 1251 NH2 ARG A 78 -15.876 0.039 6.010 1.00 0.00 N ATOM 0 H ARG A 78 -20.031 -5.664 3.701 1.00 0.00 H new ATOM 0 HA ARG A 78 -19.064 -4.297 1.276 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -19.640 -2.719 3.282 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -18.224 -3.416 4.045 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -16.783 -2.632 2.256 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -18.159 -2.126 1.296 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -17.247 -0.153 2.326 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -18.773 -0.494 3.117 1.00 0.00 H new ATOM 0 HE ARG A 78 -17.066 -1.777 4.790 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -16.905 1.428 3.295 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -15.982 2.128 4.629 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -15.888 -0.856 6.499 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -15.410 0.843 6.430 1.00 0.00 H new ATOM 1265 N HIS A 79 -17.392 -6.165 1.433 1.00 0.00 N ATOM 1266 CA HIS A 79 -16.259 -7.082 1.464 1.00 0.00 C ATOM 1267 C HIS A 79 -14.984 -6.391 0.991 1.00 0.00 C ATOM 1268 O HIS A 79 -14.801 -6.154 -0.203 1.00 0.00 O ATOM 1269 CB HIS A 79 -16.542 -8.309 0.596 1.00 0.00 C ATOM 1270 CG HIS A 79 -15.484 -9.366 0.689 1.00 0.00 C ATOM 1271 ND1 HIS A 79 -15.771 -10.704 0.863 1.00 0.00 N ATOM 1272 CD2 HIS A 79 -14.134 -9.278 0.629 1.00 0.00 C ATOM 1273 CE1 HIS A 79 -14.643 -11.392 0.906 1.00 0.00 C ATOM 1274 NE2 HIS A 79 -13.637 -10.551 0.766 1.00 0.00 N ATOM 0 H HIS A 79 -17.892 -6.141 0.544 1.00 0.00 H new ATOM 0 HA HIS A 79 -16.114 -7.403 2.496 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -17.500 -8.738 0.890 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -16.639 -7.994 -0.443 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -13.556 -8.375 0.498 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -14.560 -12.461 1.034 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -12.649 -10.805 0.760 1.00 0.00 H new ATOM 1283 N ILE A 80 -14.106 -6.068 1.935 1.00 0.00 N ATOM 1284 CA ILE A 80 -12.855 -5.406 1.619 1.00 0.00 C ATOM 1285 C ILE A 80 -11.681 -6.375 1.736 1.00 0.00 C ATOM 1286 O ILE A 80 -11.546 -7.088 2.729 1.00 0.00 O ATOM 1287 CB ILE A 80 -12.608 -4.200 2.553 1.00 0.00 C ATOM 1288 CG1 ILE A 80 -11.181 -3.681 2.385 1.00 0.00 C ATOM 1289 CG2 ILE A 80 -12.860 -4.594 4.002 1.00 0.00 C ATOM 1290 CD1 ILE A 80 -10.847 -2.507 3.280 1.00 0.00 C ATOM 0 H ILE A 80 -14.243 -6.257 2.928 1.00 0.00 H new ATOM 0 HA ILE A 80 -12.931 -5.051 0.591 1.00 0.00 H new ATOM 0 HB ILE A 80 -13.301 -3.403 2.283 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -10.483 -4.492 2.591 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -11.031 -3.388 1.346 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -12.682 -3.735 4.649 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -13.892 -4.926 4.115 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -12.186 -5.404 4.281 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -9.818 -2.196 3.103 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -11.520 -1.678 3.059 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -10.963 -2.800 4.323 1.00 0.00 H new ATOM 1302 N THR A 81 -10.823 -6.373 0.724 1.00 0.00 N ATOM 1303 CA THR A 81 -9.646 -7.229 0.717 1.00 0.00 C ATOM 1304 C THR A 81 -8.391 -6.369 0.643 1.00 0.00 C ATOM 1305 O THR A 81 -8.202 -5.621 -0.313 1.00 0.00 O ATOM 1306 CB THR A 81 -9.694 -8.202 -0.465 1.00 0.00 C ATOM 1307 OG1 THR A 81 -10.854 -7.986 -1.249 1.00 0.00 O ATOM 1308 CG2 THR A 81 -9.692 -9.655 -0.043 1.00 0.00 C ATOM 0 H THR A 81 -10.921 -5.786 -0.104 1.00 0.00 H new ATOM 0 HA THR A 81 -9.628 -7.813 1.637 1.00 0.00 H new ATOM 0 HB THR A 81 -8.788 -8.003 -1.038 1.00 0.00 H new ATOM 0 HG1 THR A 81 -11.240 -8.849 -1.506 1.00 0.00 H new ATOM 0 HG21 THR A 81 -9.727 -10.291 -0.928 1.00 0.00 H new ATOM 0 HG22 THR A 81 -8.784 -9.869 0.522 1.00 0.00 H new ATOM 0 HG23 THR A 81 -10.563 -9.854 0.581 1.00 0.00 H new ATOM 1316 N LEU A 82 -7.542 -6.462 1.658 1.00 0.00 N ATOM 1317 CA LEU A 82 -6.321 -5.667 1.691 1.00 0.00 C ATOM 1318 C LEU A 82 -5.079 -6.552 1.669 1.00 0.00 C ATOM 1319 O LEU A 82 -4.815 -7.296 2.613 1.00 0.00 O ATOM 1320 CB LEU A 82 -6.308 -4.778 2.941 1.00 0.00 C ATOM 1321 CG LEU A 82 -6.149 -3.274 2.687 1.00 0.00 C ATOM 1322 CD1 LEU A 82 -5.156 -3.010 1.564 1.00 0.00 C ATOM 1323 CD2 LEU A 82 -7.495 -2.639 2.373 1.00 0.00 C ATOM 0 H LEU A 82 -7.674 -7.074 2.463 1.00 0.00 H new ATOM 0 HA LEU A 82 -6.304 -5.041 0.799 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -7.237 -4.939 3.488 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -5.495 -5.106 3.589 1.00 0.00 H new ATOM 0 HG LEU A 82 -5.756 -2.819 3.596 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -5.063 -1.936 1.406 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -4.184 -3.422 1.834 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -5.509 -3.483 0.647 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -7.361 -1.572 2.196 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -7.918 -3.104 1.483 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -8.172 -2.785 3.215 1.00 0.00 H new ATOM 1335 N TRP A 83 -4.313 -6.455 0.586 1.00 0.00 N ATOM 1336 CA TRP A 83 -3.090 -7.233 0.441 1.00 0.00 C ATOM 1337 C TRP A 83 -1.873 -6.332 0.594 1.00 0.00 C ATOM 1338 O TRP A 83 -1.716 -5.356 -0.137 1.00 0.00 O ATOM 1339 CB TRP A 83 -3.045 -7.931 -0.922 1.00 0.00 C ATOM 1340 CG TRP A 83 -4.129 -8.944 -1.110 1.00 0.00 C ATOM 1341 CD1 TRP A 83 -5.396 -8.886 -0.612 1.00 0.00 C ATOM 1342 CD2 TRP A 83 -4.044 -10.168 -1.849 1.00 0.00 C ATOM 1343 NE1 TRP A 83 -6.107 -9.995 -0.996 1.00 0.00 N ATOM 1344 CE2 TRP A 83 -5.298 -10.799 -1.756 1.00 0.00 C ATOM 1345 CE3 TRP A 83 -3.029 -10.791 -2.581 1.00 0.00 C ATOM 1346 CZ2 TRP A 83 -5.565 -12.021 -2.367 1.00 0.00 C ATOM 1347 CZ3 TRP A 83 -3.294 -12.005 -3.188 1.00 0.00 C ATOM 1348 CH2 TRP A 83 -4.553 -12.609 -3.078 1.00 0.00 C ATOM 0 H TRP A 83 -4.519 -5.844 -0.204 1.00 0.00 H new ATOM 0 HA TRP A 83 -3.078 -7.993 1.222 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -3.120 -7.180 -1.708 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -2.078 -8.420 -1.039 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -5.785 -8.083 -0.003 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -7.079 -10.189 -0.755 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -2.055 -10.332 -2.671 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -6.535 -12.488 -2.283 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -2.517 -12.495 -3.756 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -4.729 -13.557 -3.564 1.00 0.00 H new ATOM 1359 N PHE A 84 -1.015 -6.664 1.547 1.00 0.00 N ATOM 1360 CA PHE A 84 0.188 -5.876 1.790 1.00 0.00 C ATOM 1361 C PHE A 84 1.431 -6.633 1.323 1.00 0.00 C ATOM 1362 O PHE A 84 1.823 -7.637 1.917 1.00 0.00 O ATOM 1363 CB PHE A 84 0.304 -5.512 3.275 1.00 0.00 C ATOM 1364 CG PHE A 84 -0.704 -4.490 3.731 1.00 0.00 C ATOM 1365 CD1 PHE A 84 -2.049 -4.643 3.434 1.00 0.00 C ATOM 1366 CD2 PHE A 84 -0.307 -3.374 4.457 1.00 0.00 C ATOM 1367 CE1 PHE A 84 -2.977 -3.709 3.849 1.00 0.00 C ATOM 1368 CE2 PHE A 84 -1.234 -2.436 4.872 1.00 0.00 C ATOM 1369 CZ PHE A 84 -2.570 -2.604 4.567 1.00 0.00 C ATOM 0 H PHE A 84 -1.127 -7.469 2.163 1.00 0.00 H new ATOM 0 HA PHE A 84 0.114 -4.953 1.216 1.00 0.00 H new ATOM 0 HB2 PHE A 84 0.186 -6.417 3.872 1.00 0.00 H new ATOM 0 HB3 PHE A 84 1.307 -5.131 3.469 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -2.376 -5.504 2.870 1.00 0.00 H new ATOM 0 HD2 PHE A 84 0.737 -3.238 4.700 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -4.022 -3.844 3.611 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -0.913 -1.572 5.435 1.00 0.00 H new ATOM 0 HZ PHE A 84 -3.295 -1.872 4.890 1.00 0.00 H new ATOM 1379 N TRP A 85 2.040 -6.152 0.243 1.00 0.00 N ATOM 1380 CA TRP A 85 3.227 -6.792 -0.317 1.00 0.00 C ATOM 1381 C TRP A 85 4.508 -6.101 0.138 1.00 0.00 C ATOM 1382 O TRP A 85 4.530 -4.891 0.367 1.00 0.00 O ATOM 1383 CB TRP A 85 3.149 -6.798 -1.845 1.00 0.00 C ATOM 1384 CG TRP A 85 2.075 -7.696 -2.378 1.00 0.00 C ATOM 1385 CD1 TRP A 85 0.726 -7.530 -2.242 1.00 0.00 C ATOM 1386 CD2 TRP A 85 2.258 -8.901 -3.128 1.00 0.00 C ATOM 1387 NE1 TRP A 85 0.061 -8.559 -2.863 1.00 0.00 N ATOM 1388 CE2 TRP A 85 0.978 -9.413 -3.415 1.00 0.00 C ATOM 1389 CE3 TRP A 85 3.380 -9.598 -3.587 1.00 0.00 C ATOM 1390 CZ2 TRP A 85 0.791 -10.588 -4.140 1.00 0.00 C ATOM 1391 CZ3 TRP A 85 3.193 -10.763 -4.306 1.00 0.00 C ATOM 1392 CH2 TRP A 85 1.907 -11.248 -4.576 1.00 0.00 C ATOM 0 H TRP A 85 1.731 -5.321 -0.262 1.00 0.00 H new ATOM 0 HA TRP A 85 3.255 -7.818 0.049 1.00 0.00 H new ATOM 0 HB2 TRP A 85 2.972 -5.782 -2.197 1.00 0.00 H new ATOM 0 HB3 TRP A 85 4.111 -7.113 -2.250 1.00 0.00 H new ATOM 0 HD1 TRP A 85 0.252 -6.710 -1.723 1.00 0.00 H new ATOM 0 HE1 TRP A 85 -0.952 -8.669 -2.906 1.00 0.00 H new ATOM 0 HE3 TRP A 85 4.375 -9.232 -3.383 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 -0.199 -10.964 -4.350 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 4.053 -11.309 -4.666 1.00 0.00 H new ATOM 0 HH2 TRP A 85 1.794 -12.162 -5.140 1.00 0.00 H new ATOM 1403 N LEU A 86 5.575 -6.886 0.266 1.00 0.00 N ATOM 1404 CA LEU A 86 6.868 -6.368 0.694 1.00 0.00 C ATOM 1405 C LEU A 86 7.749 -6.010 -0.503 1.00 0.00 C ATOM 1406 O LEU A 86 7.803 -6.732 -1.499 1.00 0.00 O ATOM 1407 CB LEU A 86 7.580 -7.388 1.588 1.00 0.00 C ATOM 1408 CG LEU A 86 9.002 -7.005 2.004 1.00 0.00 C ATOM 1409 CD1 LEU A 86 8.985 -5.776 2.900 1.00 0.00 C ATOM 1410 CD2 LEU A 86 9.683 -8.170 2.708 1.00 0.00 C ATOM 0 H LEU A 86 5.567 -7.888 0.078 1.00 0.00 H new ATOM 0 HA LEU A 86 6.690 -5.457 1.265 1.00 0.00 H new ATOM 0 HB2 LEU A 86 6.983 -7.539 2.487 1.00 0.00 H new ATOM 0 HB3 LEU A 86 7.616 -8.344 1.065 1.00 0.00 H new ATOM 0 HG LEU A 86 9.570 -6.766 1.105 1.00 0.00 H new ATOM 0 HD11 LEU A 86 10.005 -5.519 3.185 1.00 0.00 H new ATOM 0 HD12 LEU A 86 8.537 -4.940 2.363 1.00 0.00 H new ATOM 0 HD13 LEU A 86 8.400 -5.987 3.795 1.00 0.00 H new ATOM 0 HD21 LEU A 86 10.693 -7.880 2.997 1.00 0.00 H new ATOM 0 HD22 LEU A 86 9.114 -8.440 3.598 1.00 0.00 H new ATOM 0 HD23 LEU A 86 9.730 -9.025 2.034 1.00 0.00 H new ATOM 1422 N VAL A 87 8.429 -4.879 -0.383 1.00 0.00 N ATOM 1423 CA VAL A 87 9.318 -4.366 -1.422 1.00 0.00 C ATOM 1424 C VAL A 87 10.717 -4.226 -0.891 1.00 0.00 C ATOM 1425 O VAL A 87 10.902 -3.927 0.288 1.00 0.00 O ATOM 1426 CB VAL A 87 8.884 -2.989 -1.897 1.00 0.00 C ATOM 1427 CG1 VAL A 87 9.804 -2.467 -2.991 1.00 0.00 C ATOM 1428 CG2 VAL A 87 7.438 -3.029 -2.358 1.00 0.00 C ATOM 0 H VAL A 87 8.381 -4.285 0.444 1.00 0.00 H new ATOM 0 HA VAL A 87 9.278 -5.077 -2.247 1.00 0.00 H new ATOM 0 HB VAL A 87 8.957 -2.294 -1.060 1.00 0.00 H new ATOM 0 HG11 VAL A 87 9.467 -1.480 -3.310 1.00 0.00 H new ATOM 0 HG12 VAL A 87 10.822 -2.397 -2.608 1.00 0.00 H new ATOM 0 HG13 VAL A 87 9.783 -3.149 -3.841 1.00 0.00 H new ATOM 0 HG21 VAL A 87 7.136 -2.038 -2.696 1.00 0.00 H new ATOM 0 HG22 VAL A 87 7.337 -3.739 -3.179 1.00 0.00 H new ATOM 0 HG23 VAL A 87 6.801 -3.339 -1.530 1.00 0.00 H new ATOM 1438 N GLU A 88 11.708 -4.456 -1.734 1.00 0.00 N ATOM 1439 CA GLU A 88 13.072 -4.346 -1.260 1.00 0.00 C ATOM 1440 C GLU A 88 13.818 -3.100 -1.765 1.00 0.00 C ATOM 1441 O GLU A 88 14.726 -2.621 -1.085 1.00 0.00 O ATOM 1442 CB GLU A 88 13.860 -5.610 -1.611 1.00 0.00 C ATOM 1443 CG GLU A 88 15.313 -5.569 -1.165 1.00 0.00 C ATOM 1444 CD GLU A 88 16.057 -6.851 -1.483 1.00 0.00 C ATOM 1445 OE1 GLU A 88 15.679 -7.530 -2.461 1.00 0.00 O ATOM 1446 OE2 GLU A 88 17.018 -7.176 -0.755 1.00 0.00 O ATOM 0 H GLU A 88 11.600 -4.711 -2.716 1.00 0.00 H new ATOM 0 HA GLU A 88 13.001 -4.234 -0.178 1.00 0.00 H new ATOM 0 HB2 GLU A 88 13.373 -6.470 -1.152 1.00 0.00 H new ATOM 0 HB3 GLU A 88 13.825 -5.762 -2.690 1.00 0.00 H new ATOM 0 HG2 GLU A 88 15.815 -4.732 -1.651 1.00 0.00 H new ATOM 0 HG3 GLU A 88 15.355 -5.386 -0.091 1.00 0.00 H new ATOM 1453 N ARG A 89 13.472 -2.574 -2.942 1.00 0.00 N ATOM 1454 CA ARG A 89 14.175 -1.399 -3.458 1.00 0.00 C ATOM 1455 C ARG A 89 13.392 -0.722 -4.578 1.00 0.00 C ATOM 1456 O ARG A 89 12.474 -1.311 -5.142 1.00 0.00 O ATOM 1457 CB ARG A 89 15.596 -1.804 -3.910 1.00 0.00 C ATOM 1458 CG ARG A 89 15.931 -1.545 -5.381 1.00 0.00 C ATOM 1459 CD ARG A 89 17.126 -0.615 -5.530 1.00 0.00 C ATOM 1460 NE ARG A 89 16.993 0.593 -4.719 1.00 0.00 N ATOM 1461 CZ ARG A 89 17.657 1.723 -4.954 1.00 0.00 C ATOM 1462 NH1 ARG A 89 18.505 1.803 -5.971 1.00 0.00 N ATOM 1463 NH2 ARG A 89 17.474 2.775 -4.168 1.00 0.00 N ATOM 0 H ARG A 89 12.729 -2.932 -3.542 1.00 0.00 H new ATOM 0 HA ARG A 89 14.263 -0.663 -2.659 1.00 0.00 H new ATOM 0 HB2 ARG A 89 16.318 -1.269 -3.294 1.00 0.00 H new ATOM 0 HB3 ARG A 89 15.731 -2.867 -3.709 1.00 0.00 H new ATOM 0 HG2 ARG A 89 16.142 -2.492 -5.878 1.00 0.00 H new ATOM 0 HG3 ARG A 89 15.066 -1.109 -5.880 1.00 0.00 H new ATOM 0 HD2 ARG A 89 18.034 -1.145 -5.242 1.00 0.00 H new ATOM 0 HD3 ARG A 89 17.238 -0.336 -6.578 1.00 0.00 H new ATOM 0 HE ARG A 89 16.353 0.569 -3.925 1.00 0.00 H new ATOM 0 HH11 ARG A 89 18.651 0.996 -6.578 1.00 0.00 H new ATOM 0 HH12 ARG A 89 19.011 2.671 -6.146 1.00 0.00 H new ATOM 0 HH21 ARG A 89 16.825 2.719 -3.383 1.00 0.00 H new ATOM 0 HH22 ARG A 89 17.983 3.641 -4.348 1.00 0.00 H new ATOM 1477 N TRP A 90 13.782 0.508 -4.913 1.00 0.00 N ATOM 1478 CA TRP A 90 13.130 1.246 -5.987 1.00 0.00 C ATOM 1479 C TRP A 90 14.063 2.297 -6.586 1.00 0.00 C ATOM 1480 O TRP A 90 14.585 3.156 -5.877 1.00 0.00 O ATOM 1481 CB TRP A 90 11.819 1.873 -5.494 1.00 0.00 C ATOM 1482 CG TRP A 90 11.950 3.240 -4.902 1.00 0.00 C ATOM 1483 CD1 TRP A 90 12.210 4.402 -5.567 1.00 0.00 C ATOM 1484 CD2 TRP A 90 11.795 3.587 -3.525 1.00 0.00 C ATOM 1485 NE1 TRP A 90 12.229 5.453 -4.685 1.00 0.00 N ATOM 1486 CE2 TRP A 90 11.974 4.979 -3.427 1.00 0.00 C ATOM 1487 CE3 TRP A 90 11.522 2.856 -2.367 1.00 0.00 C ATOM 1488 CZ2 TRP A 90 11.885 5.655 -2.217 1.00 0.00 C ATOM 1489 CZ3 TRP A 90 11.434 3.529 -1.164 1.00 0.00 C ATOM 1490 CH2 TRP A 90 11.613 4.917 -1.097 1.00 0.00 C ATOM 0 H TRP A 90 14.543 1.010 -4.456 1.00 0.00 H new ATOM 0 HA TRP A 90 12.887 0.542 -6.782 1.00 0.00 H new ATOM 0 HB2 TRP A 90 11.121 1.922 -6.330 1.00 0.00 H new ATOM 0 HB3 TRP A 90 11.377 1.212 -4.748 1.00 0.00 H new ATOM 0 HD1 TRP A 90 12.376 4.483 -6.631 1.00 0.00 H new ATOM 0 HE1 TRP A 90 12.405 6.428 -4.927 1.00 0.00 H new ATOM 0 HE3 TRP A 90 11.382 1.786 -2.411 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 12.025 6.724 -2.162 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 11.224 2.976 -0.260 1.00 0.00 H new ATOM 0 HH2 TRP A 90 11.535 5.415 -0.142 1.00 0.00 H new ATOM 1501 N GLU A 91 14.274 2.212 -7.901 1.00 0.00 N ATOM 1502 CA GLU A 91 15.150 3.150 -8.595 1.00 0.00 C ATOM 1503 C GLU A 91 14.489 4.517 -8.733 1.00 0.00 C ATOM 1504 O GLU A 91 13.270 4.618 -8.872 1.00 0.00 O ATOM 1505 CB GLU A 91 15.519 2.608 -9.977 1.00 0.00 C ATOM 1506 CG GLU A 91 16.462 3.513 -10.753 1.00 0.00 C ATOM 1507 CD GLU A 91 15.750 4.314 -11.826 1.00 0.00 C ATOM 1508 OE1 GLU A 91 15.380 3.723 -12.862 1.00 0.00 O ATOM 1509 OE2 GLU A 91 15.562 5.534 -11.628 1.00 0.00 O ATOM 0 H GLU A 91 13.851 1.505 -8.502 1.00 0.00 H new ATOM 0 HA GLU A 91 16.057 3.265 -8.002 1.00 0.00 H new ATOM 0 HB2 GLU A 91 15.982 1.628 -9.862 1.00 0.00 H new ATOM 0 HB3 GLU A 91 14.607 2.464 -10.557 1.00 0.00 H new ATOM 0 HG2 GLU A 91 16.955 4.196 -10.062 1.00 0.00 H new ATOM 0 HG3 GLU A 91 17.243 2.908 -11.214 1.00 0.00 H new ATOM 1516 N GLY A 92 15.302 5.568 -8.696 1.00 0.00 N ATOM 1517 CA GLY A 92 14.780 6.918 -8.818 1.00 0.00 C ATOM 1518 C GLY A 92 13.723 7.229 -7.779 1.00 0.00 C ATOM 1519 O GLY A 92 13.977 7.138 -6.578 1.00 0.00 O ATOM 0 H GLY A 92 16.314 5.509 -8.584 1.00 0.00 H new ATOM 0 HA2 GLY A 92 15.599 7.631 -8.722 1.00 0.00 H new ATOM 0 HA3 GLY A 92 14.356 7.051 -9.813 1.00 0.00 H new ATOM 1523 N GLU A 93 12.533 7.597 -8.242 1.00 0.00 N ATOM 1524 CA GLU A 93 11.431 7.922 -7.343 1.00 0.00 C ATOM 1525 C GLU A 93 10.152 7.205 -7.772 1.00 0.00 C ATOM 1526 O GLU A 93 9.914 7.008 -8.964 1.00 0.00 O ATOM 1527 CB GLU A 93 11.196 9.434 -7.317 1.00 0.00 C ATOM 1528 CG GLU A 93 10.787 9.962 -5.952 1.00 0.00 C ATOM 1529 CD GLU A 93 11.348 11.342 -5.668 1.00 0.00 C ATOM 1530 OE1 GLU A 93 12.587 11.494 -5.688 1.00 0.00 O ATOM 1531 OE2 GLU A 93 10.548 12.270 -5.427 1.00 0.00 O ATOM 0 H GLU A 93 12.307 7.678 -9.233 1.00 0.00 H new ATOM 0 HA GLU A 93 11.699 7.585 -6.342 1.00 0.00 H new ATOM 0 HB2 GLU A 93 12.107 9.941 -7.635 1.00 0.00 H new ATOM 0 HB3 GLU A 93 10.422 9.686 -8.042 1.00 0.00 H new ATOM 0 HG2 GLU A 93 9.699 9.997 -5.891 1.00 0.00 H new ATOM 0 HG3 GLU A 93 11.128 9.270 -5.182 1.00 0.00 H new ATOM 1538 N PRO A 94 9.304 6.810 -6.805 1.00 0.00 N ATOM 1539 CA PRO A 94 8.045 6.124 -7.088 1.00 0.00 C ATOM 1540 C PRO A 94 6.986 7.090 -7.589 1.00 0.00 C ATOM 1541 O PRO A 94 6.735 8.121 -6.965 1.00 0.00 O ATOM 1542 CB PRO A 94 7.632 5.529 -5.729 1.00 0.00 C ATOM 1543 CG PRO A 94 8.757 5.831 -4.790 1.00 0.00 C ATOM 1544 CD PRO A 94 9.481 7.010 -5.367 1.00 0.00 C ATOM 0 HA PRO A 94 8.154 5.371 -7.869 1.00 0.00 H new ATOM 0 HB2 PRO A 94 6.700 5.970 -5.376 1.00 0.00 H new ATOM 0 HB3 PRO A 94 7.466 4.455 -5.807 1.00 0.00 H new ATOM 0 HG2 PRO A 94 8.381 6.056 -3.792 1.00 0.00 H new ATOM 0 HG3 PRO A 94 9.424 4.974 -4.694 1.00 0.00 H new ATOM 0 HD2 PRO A 94 9.052 7.954 -5.032 1.00 0.00 H new ATOM 0 HD3 PRO A 94 10.534 7.019 -5.084 1.00 0.00 H new ATOM 1552 N TRP A 95 6.363 6.761 -8.714 1.00 0.00 N ATOM 1553 CA TRP A 95 5.335 7.626 -9.265 1.00 0.00 C ATOM 1554 C TRP A 95 4.072 6.856 -9.608 1.00 0.00 C ATOM 1555 O TRP A 95 3.003 7.129 -9.063 1.00 0.00 O ATOM 1556 CB TRP A 95 5.839 8.368 -10.507 1.00 0.00 C ATOM 1557 CG TRP A 95 6.525 7.511 -11.541 1.00 0.00 C ATOM 1558 CD1 TRP A 95 7.854 7.214 -11.598 1.00 0.00 C ATOM 1559 CD2 TRP A 95 5.926 6.865 -12.677 1.00 0.00 C ATOM 1560 NE1 TRP A 95 8.128 6.447 -12.709 1.00 0.00 N ATOM 1561 CE2 TRP A 95 6.961 6.222 -13.386 1.00 0.00 C ATOM 1562 CE3 TRP A 95 4.619 6.771 -13.166 1.00 0.00 C ATOM 1563 CZ2 TRP A 95 6.729 5.505 -14.559 1.00 0.00 C ATOM 1564 CZ3 TRP A 95 4.390 6.055 -14.327 1.00 0.00 C ATOM 1565 CH2 TRP A 95 5.440 5.435 -15.014 1.00 0.00 C ATOM 0 H TRP A 95 6.549 5.915 -9.253 1.00 0.00 H new ATOM 0 HA TRP A 95 5.093 8.354 -8.491 1.00 0.00 H new ATOM 0 HB2 TRP A 95 4.993 8.868 -10.978 1.00 0.00 H new ATOM 0 HB3 TRP A 95 6.532 9.146 -10.188 1.00 0.00 H new ATOM 0 HD1 TRP A 95 8.589 7.535 -10.874 1.00 0.00 H new ATOM 0 HE1 TRP A 95 9.049 6.104 -12.982 1.00 0.00 H new ATOM 0 HE3 TRP A 95 3.802 7.249 -12.646 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 7.537 5.023 -15.089 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 3.384 5.973 -14.710 1.00 0.00 H new ATOM 0 HH2 TRP A 95 5.229 4.890 -15.922 1.00 0.00 H new ATOM 1576 N GLY A 96 4.204 5.902 -10.519 1.00 0.00 N ATOM 1577 CA GLY A 96 3.063 5.103 -10.941 1.00 0.00 C ATOM 1578 C GLY A 96 1.770 5.899 -11.019 1.00 0.00 C ATOM 1579 O GLY A 96 1.510 6.581 -12.010 1.00 0.00 O ATOM 0 H GLY A 96 5.084 5.664 -10.977 1.00 0.00 H new ATOM 0 HA2 GLY A 96 3.274 4.668 -11.918 1.00 0.00 H new ATOM 0 HA3 GLY A 96 2.931 4.275 -10.245 1.00 0.00 H new ATOM 1583 N LYS A 97 0.961 5.808 -9.964 1.00 0.00 N ATOM 1584 CA LYS A 97 -0.314 6.521 -9.904 1.00 0.00 C ATOM 1585 C LYS A 97 -1.087 6.154 -8.635 1.00 0.00 C ATOM 1586 O LYS A 97 -2.307 5.987 -8.669 1.00 0.00 O ATOM 1587 CB LYS A 97 -1.163 6.205 -11.139 1.00 0.00 C ATOM 1588 CG LYS A 97 -1.776 7.437 -11.786 1.00 0.00 C ATOM 1589 CD LYS A 97 -3.203 7.178 -12.243 1.00 0.00 C ATOM 1590 CE LYS A 97 -3.266 6.887 -13.734 1.00 0.00 C ATOM 1591 NZ LYS A 97 -2.225 5.907 -14.154 1.00 0.00 N ATOM 0 H LYS A 97 1.167 5.246 -9.138 1.00 0.00 H new ATOM 0 HA LYS A 97 -0.100 7.590 -9.883 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -0.544 5.689 -11.873 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -1.961 5.518 -10.856 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -1.765 8.265 -11.077 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -1.169 7.740 -12.639 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -3.616 6.335 -11.689 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -3.823 8.045 -12.014 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -4.253 6.499 -13.987 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -3.136 7.815 -14.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -2.496 5.481 -15.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -1.312 6.394 -14.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -2.139 5.162 -13.434 1.00 0.00 H new ATOM 1605 N GLU A 98 -0.372 6.032 -7.520 1.00 0.00 N ATOM 1606 CA GLU A 98 -0.995 5.686 -6.244 1.00 0.00 C ATOM 1607 C GLU A 98 -1.871 6.828 -5.733 1.00 0.00 C ATOM 1608 O GLU A 98 -2.817 6.603 -4.979 1.00 0.00 O ATOM 1609 CB GLU A 98 0.069 5.334 -5.197 1.00 0.00 C ATOM 1610 CG GLU A 98 1.383 6.084 -5.365 1.00 0.00 C ATOM 1611 CD GLU A 98 1.193 7.585 -5.464 1.00 0.00 C ATOM 1612 OE1 GLU A 98 0.999 8.086 -6.592 1.00 0.00 O ATOM 1613 OE2 GLU A 98 1.240 8.260 -4.415 1.00 0.00 O ATOM 0 H GLU A 98 0.638 6.167 -7.473 1.00 0.00 H new ATOM 0 HA GLU A 98 -1.627 4.813 -6.411 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -0.331 5.543 -4.205 1.00 0.00 H new ATOM 0 HB3 GLU A 98 0.267 4.263 -5.242 1.00 0.00 H new ATOM 0 HG2 GLU A 98 2.035 5.860 -4.521 1.00 0.00 H new ATOM 0 HG3 GLU A 98 1.888 5.726 -6.262 1.00 0.00 H new ATOM 1620 N GLY A 99 -1.558 8.053 -6.152 1.00 0.00 N ATOM 1621 CA GLY A 99 -2.342 9.197 -5.725 1.00 0.00 C ATOM 1622 C GLY A 99 -1.493 10.368 -5.262 1.00 0.00 C ATOM 1623 O GLY A 99 -1.190 11.271 -6.042 1.00 0.00 O ATOM 0 H GLY A 99 -0.781 8.271 -6.775 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -2.977 9.521 -6.549 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -3.003 8.893 -4.913 1.00 0.00 H new ATOM 1627 N GLN A 100 -1.121 10.360 -3.985 1.00 0.00 N ATOM 1628 CA GLN A 100 -0.318 11.438 -3.411 1.00 0.00 C ATOM 1629 C GLN A 100 1.112 10.991 -3.127 1.00 0.00 C ATOM 1630 O GLN A 100 1.349 10.119 -2.293 1.00 0.00 O ATOM 1631 CB GLN A 100 -0.964 11.960 -2.123 1.00 0.00 C ATOM 1632 CG GLN A 100 -1.699 10.892 -1.326 1.00 0.00 C ATOM 1633 CD GLN A 100 -1.967 11.310 0.106 1.00 0.00 C ATOM 1634 OE1 GLN A 100 -1.259 10.693 1.045 1.00 0.00 O flip ATOM 1635 NE2 GLN A 100 -2.801 12.178 0.365 1.00 0.00 N flip ATOM 0 H GLN A 100 -1.362 9.619 -3.327 1.00 0.00 H new ATOM 0 HA GLN A 100 -0.279 12.240 -4.148 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -0.191 12.402 -1.494 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -1.664 12.757 -2.376 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -2.645 10.665 -1.817 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -1.111 9.974 -1.328 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -3.322 12.626 -0.389 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -2.971 12.449 1.333 1.00 0.00 H new ATOM 1644 N PRO A 101 2.086 11.602 -3.822 1.00 0.00 N ATOM 1645 CA PRO A 101 3.507 11.289 -3.650 1.00 0.00 C ATOM 1646 C PRO A 101 3.909 11.148 -2.183 1.00 0.00 C ATOM 1647 O PRO A 101 3.368 11.830 -1.313 1.00 0.00 O ATOM 1648 CB PRO A 101 4.180 12.508 -4.269 1.00 0.00 C ATOM 1649 CG PRO A 101 3.263 12.906 -5.367 1.00 0.00 C ATOM 1650 CD PRO A 101 1.880 12.661 -4.835 1.00 0.00 C ATOM 0 HA PRO A 101 3.781 10.336 -4.102 1.00 0.00 H new ATOM 0 HB2 PRO A 101 4.302 13.310 -3.540 1.00 0.00 H new ATOM 0 HB3 PRO A 101 5.174 12.267 -4.647 1.00 0.00 H new ATOM 0 HG2 PRO A 101 3.402 13.953 -5.635 1.00 0.00 H new ATOM 0 HG3 PRO A 101 3.448 12.319 -6.267 1.00 0.00 H new ATOM 0 HD2 PRO A 101 1.454 13.562 -4.394 1.00 0.00 H new ATOM 0 HD3 PRO A 101 1.198 12.338 -5.622 1.00 0.00 H new ATOM 1658 N GLY A 102 4.857 10.254 -1.916 1.00 0.00 N ATOM 1659 CA GLY A 102 5.313 10.034 -0.554 1.00 0.00 C ATOM 1660 C GLY A 102 6.809 10.245 -0.387 1.00 0.00 C ATOM 1661 O GLY A 102 7.519 10.519 -1.355 1.00 0.00 O ATOM 0 H GLY A 102 5.318 9.677 -2.619 1.00 0.00 H new ATOM 0 HA2 GLY A 102 4.780 10.709 0.115 1.00 0.00 H new ATOM 0 HA3 GLY A 102 5.059 9.018 -0.251 1.00 0.00 H new ATOM 1665 N GLU A 103 7.286 10.114 0.849 1.00 0.00 N ATOM 1666 CA GLU A 103 8.705 10.285 1.157 1.00 0.00 C ATOM 1667 C GLU A 103 9.247 9.053 1.877 1.00 0.00 C ATOM 1668 O GLU A 103 8.485 8.297 2.479 1.00 0.00 O ATOM 1669 CB GLU A 103 8.916 11.531 2.019 1.00 0.00 C ATOM 1670 CG GLU A 103 7.920 11.657 3.161 1.00 0.00 C ATOM 1671 CD GLU A 103 8.577 12.059 4.467 1.00 0.00 C ATOM 1672 OE1 GLU A 103 9.678 12.648 4.420 1.00 0.00 O ATOM 1673 OE2 GLU A 103 7.991 11.787 5.534 1.00 0.00 O ATOM 0 H GLU A 103 6.707 9.889 1.658 1.00 0.00 H new ATOM 0 HA GLU A 103 9.248 10.409 0.220 1.00 0.00 H new ATOM 0 HB2 GLU A 103 9.926 11.512 2.429 1.00 0.00 H new ATOM 0 HB3 GLU A 103 8.845 12.416 1.387 1.00 0.00 H new ATOM 0 HG2 GLU A 103 7.162 12.395 2.898 1.00 0.00 H new ATOM 0 HG3 GLU A 103 7.405 10.706 3.295 1.00 0.00 H new ATOM 1680 N TRP A 104 10.562 8.847 1.816 1.00 0.00 N ATOM 1681 CA TRP A 104 11.170 7.688 2.474 1.00 0.00 C ATOM 1682 C TRP A 104 10.991 7.790 3.986 1.00 0.00 C ATOM 1683 O TRP A 104 11.661 8.580 4.650 1.00 0.00 O ATOM 1684 CB TRP A 104 12.670 7.573 2.132 1.00 0.00 C ATOM 1685 CG TRP A 104 13.056 8.232 0.843 1.00 0.00 C ATOM 1686 CD1 TRP A 104 12.370 8.186 -0.336 1.00 0.00 C ATOM 1687 CD2 TRP A 104 14.215 9.036 0.602 1.00 0.00 C ATOM 1688 NE1 TRP A 104 13.033 8.912 -1.296 1.00 0.00 N ATOM 1689 CE2 TRP A 104 14.169 9.445 -0.744 1.00 0.00 C ATOM 1690 CE3 TRP A 104 15.289 9.452 1.396 1.00 0.00 C ATOM 1691 CZ2 TRP A 104 15.154 10.247 -1.313 1.00 0.00 C ATOM 1692 CZ3 TRP A 104 16.267 10.249 0.830 1.00 0.00 C ATOM 1693 CH2 TRP A 104 16.193 10.639 -0.513 1.00 0.00 C ATOM 0 H TRP A 104 11.219 9.455 1.327 1.00 0.00 H new ATOM 0 HA TRP A 104 10.667 6.793 2.108 1.00 0.00 H new ATOM 0 HB2 TRP A 104 13.251 8.015 2.942 1.00 0.00 H new ATOM 0 HB3 TRP A 104 12.941 6.518 2.084 1.00 0.00 H new ATOM 0 HD1 TRP A 104 11.442 7.656 -0.492 1.00 0.00 H new ATOM 0 HE1 TRP A 104 12.729 9.034 -2.262 1.00 0.00 H new ATOM 0 HE3 TRP A 104 15.353 9.156 2.433 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 15.100 10.549 -2.348 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 17.101 10.576 1.433 1.00 0.00 H new ATOM 0 HH2 TRP A 104 16.972 11.262 -0.926 1.00 0.00 H new ATOM 1704 N MET A 105 10.086 6.976 4.524 1.00 0.00 N ATOM 1705 CA MET A 105 9.818 6.964 5.959 1.00 0.00 C ATOM 1706 C MET A 105 10.081 5.583 6.549 1.00 0.00 C ATOM 1707 O MET A 105 9.958 4.571 5.859 1.00 0.00 O ATOM 1708 CB MET A 105 8.377 7.394 6.249 1.00 0.00 C ATOM 1709 CG MET A 105 7.368 6.912 5.217 1.00 0.00 C ATOM 1710 SD MET A 105 5.780 7.754 5.359 1.00 0.00 S ATOM 1711 CE MET A 105 6.284 9.463 5.175 1.00 0.00 C ATOM 0 H MET A 105 9.525 6.315 3.986 1.00 0.00 H new ATOM 0 HA MET A 105 10.495 7.678 6.429 1.00 0.00 H new ATOM 0 HB2 MET A 105 8.087 7.017 7.230 1.00 0.00 H new ATOM 0 HB3 MET A 105 8.337 8.482 6.301 1.00 0.00 H new ATOM 0 HG2 MET A 105 7.772 7.071 4.217 1.00 0.00 H new ATOM 0 HG3 MET A 105 7.218 5.839 5.334 1.00 0.00 H new ATOM 0 HE1 MET A 105 5.528 10.006 4.608 1.00 0.00 H new ATOM 0 HE2 MET A 105 6.395 9.918 6.159 1.00 0.00 H new ATOM 0 HE3 MET A 105 7.236 9.507 4.646 1.00 0.00 H new ATOM 1721 N SER A 106 10.434 5.544 7.830 1.00 0.00 N ATOM 1722 CA SER A 106 10.704 4.280 8.507 1.00 0.00 C ATOM 1723 C SER A 106 9.403 3.535 8.789 1.00 0.00 C ATOM 1724 O SER A 106 8.536 4.033 9.508 1.00 0.00 O ATOM 1725 CB SER A 106 11.459 4.526 9.813 1.00 0.00 C ATOM 1726 OG SER A 106 10.772 5.456 10.634 1.00 0.00 O ATOM 0 H SER A 106 10.540 6.370 8.419 1.00 0.00 H new ATOM 0 HA SER A 106 11.323 3.667 7.852 1.00 0.00 H new ATOM 0 HB2 SER A 106 11.581 3.585 10.349 1.00 0.00 H new ATOM 0 HB3 SER A 106 12.459 4.900 9.593 1.00 0.00 H new ATOM 0 HG SER A 106 9.810 5.402 10.455 1.00 0.00 H new ATOM 1732 N LEU A 107 9.266 2.343 8.215 1.00 0.00 N ATOM 1733 CA LEU A 107 8.061 1.540 8.407 1.00 0.00 C ATOM 1734 C LEU A 107 8.008 0.941 9.811 1.00 0.00 C ATOM 1735 O LEU A 107 6.944 0.537 10.280 1.00 0.00 O ATOM 1736 CB LEU A 107 7.981 0.429 7.360 1.00 0.00 C ATOM 1737 CG LEU A 107 6.561 0.009 6.966 1.00 0.00 C ATOM 1738 CD1 LEU A 107 5.901 -0.765 8.097 1.00 0.00 C ATOM 1739 CD2 LEU A 107 5.722 1.226 6.593 1.00 0.00 C ATOM 0 H LEU A 107 9.970 1.913 7.616 1.00 0.00 H new ATOM 0 HA LEU A 107 7.203 2.202 8.287 1.00 0.00 H new ATOM 0 HB2 LEU A 107 8.508 0.757 6.464 1.00 0.00 H new ATOM 0 HB3 LEU A 107 8.510 -0.445 7.739 1.00 0.00 H new ATOM 0 HG LEU A 107 6.627 -0.641 6.094 1.00 0.00 H new ATOM 0 HD11 LEU A 107 4.893 -1.055 7.800 1.00 0.00 H new ATOM 0 HD12 LEU A 107 6.486 -1.658 8.316 1.00 0.00 H new ATOM 0 HD13 LEU A 107 5.850 -0.137 8.986 1.00 0.00 H new ATOM 0 HD21 LEU A 107 4.718 0.905 6.317 1.00 0.00 H new ATOM 0 HD22 LEU A 107 5.665 1.903 7.445 1.00 0.00 H new ATOM 0 HD23 LEU A 107 6.183 1.741 5.750 1.00 0.00 H new ATOM 1751 N VAL A 108 9.156 0.892 10.482 1.00 0.00 N ATOM 1752 CA VAL A 108 9.227 0.348 11.835 1.00 0.00 C ATOM 1753 C VAL A 108 8.326 1.122 12.800 1.00 0.00 C ATOM 1754 O VAL A 108 8.086 0.683 13.924 1.00 0.00 O ATOM 1755 CB VAL A 108 10.671 0.372 12.373 1.00 0.00 C ATOM 1756 CG1 VAL A 108 10.762 -0.381 13.693 1.00 0.00 C ATOM 1757 CG2 VAL A 108 11.631 -0.214 11.350 1.00 0.00 C ATOM 0 H VAL A 108 10.048 1.222 10.112 1.00 0.00 H new ATOM 0 HA VAL A 108 8.881 -0.684 11.774 1.00 0.00 H new ATOM 0 HB VAL A 108 10.956 1.409 12.552 1.00 0.00 H new ATOM 0 HG11 VAL A 108 11.789 -0.353 14.058 1.00 0.00 H new ATOM 0 HG12 VAL A 108 10.104 0.087 14.425 1.00 0.00 H new ATOM 0 HG13 VAL A 108 10.458 -1.417 13.543 1.00 0.00 H new ATOM 0 HG21 VAL A 108 12.646 -0.189 11.747 1.00 0.00 H new ATOM 0 HG22 VAL A 108 11.350 -1.245 11.137 1.00 0.00 H new ATOM 0 HG23 VAL A 108 11.586 0.372 10.432 1.00 0.00 H new ATOM 1767 N GLY A 109 7.825 2.271 12.350 1.00 0.00 N ATOM 1768 CA GLY A 109 6.954 3.081 13.175 1.00 0.00 C ATOM 1769 C GLY A 109 5.767 3.595 12.389 1.00 0.00 C ATOM 1770 O GLY A 109 5.516 4.799 12.335 1.00 0.00 O ATOM 0 H GLY A 109 8.010 2.654 11.423 1.00 0.00 H new ATOM 0 HA2 GLY A 109 6.603 2.493 14.023 1.00 0.00 H new ATOM 0 HA3 GLY A 109 7.515 3.923 13.581 1.00 0.00 H new ATOM 1774 N LEU A 110 5.047 2.670 11.769 1.00 0.00 N ATOM 1775 CA LEU A 110 3.881 3.008 10.960 1.00 0.00 C ATOM 1776 C LEU A 110 2.808 3.680 11.811 1.00 0.00 C ATOM 1777 O LEU A 110 2.714 3.436 13.014 1.00 0.00 O ATOM 1778 CB LEU A 110 3.321 1.743 10.306 1.00 0.00 C ATOM 1779 CG LEU A 110 2.516 1.955 9.021 1.00 0.00 C ATOM 1780 CD1 LEU A 110 3.197 2.964 8.107 1.00 0.00 C ATOM 1781 CD2 LEU A 110 2.326 0.628 8.302 1.00 0.00 C ATOM 0 H LEU A 110 5.251 1.672 11.811 1.00 0.00 H new ATOM 0 HA LEU A 110 4.187 3.709 10.183 1.00 0.00 H new ATOM 0 HB2 LEU A 110 4.152 1.073 10.085 1.00 0.00 H new ATOM 0 HB3 LEU A 110 2.685 1.234 11.030 1.00 0.00 H new ATOM 0 HG LEU A 110 1.539 2.356 9.290 1.00 0.00 H new ATOM 0 HD11 LEU A 110 2.603 3.094 7.202 1.00 0.00 H new ATOM 0 HD12 LEU A 110 3.287 3.920 8.623 1.00 0.00 H new ATOM 0 HD13 LEU A 110 4.190 2.601 7.840 1.00 0.00 H new ATOM 0 HD21 LEU A 110 1.752 0.788 7.389 1.00 0.00 H new ATOM 0 HD22 LEU A 110 3.300 0.208 8.050 1.00 0.00 H new ATOM 0 HD23 LEU A 110 1.789 -0.064 8.951 1.00 0.00 H new ATOM 1793 N ASN A 111 2.020 4.553 11.186 1.00 0.00 N ATOM 1794 CA ASN A 111 0.981 5.285 11.901 1.00 0.00 C ATOM 1795 C ASN A 111 -0.426 4.838 11.522 1.00 0.00 C ATOM 1796 O ASN A 111 -0.950 5.216 10.474 1.00 0.00 O ATOM 1797 CB ASN A 111 1.133 6.786 11.653 1.00 0.00 C ATOM 1798 CG ASN A 111 1.487 7.549 12.915 1.00 0.00 C ATOM 1799 OD1 ASN A 111 0.767 8.459 13.326 1.00 0.00 O ATOM 1800 ND2 ASN A 111 2.601 7.181 13.537 1.00 0.00 N ATOM 0 H ASN A 111 2.082 4.769 10.191 1.00 0.00 H new ATOM 0 HA ASN A 111 1.112 5.066 12.961 1.00 0.00 H new ATOM 0 HB2 ASN A 111 1.907 6.951 10.903 1.00 0.00 H new ATOM 0 HB3 ASN A 111 0.203 7.180 11.243 1.00 0.00 H new ATOM 0 HD21 ASN A 111 2.890 7.658 14.391 1.00 0.00 H new ATOM 0 HD22 ASN A 111 3.168 6.421 13.161 1.00 0.00 H new ATOM 1807 N ALA A 112 -1.047 4.063 12.407 1.00 0.00 N ATOM 1808 CA ALA A 112 -2.411 3.601 12.192 1.00 0.00 C ATOM 1809 C ALA A 112 -3.395 4.758 12.378 1.00 0.00 C ATOM 1810 O ALA A 112 -4.539 4.696 11.929 1.00 0.00 O ATOM 1811 CB ALA A 112 -2.748 2.458 13.139 1.00 0.00 C ATOM 0 H ALA A 112 -0.626 3.743 13.279 1.00 0.00 H new ATOM 0 HA ALA A 112 -2.494 3.231 11.170 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -3.772 2.128 12.961 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -2.064 1.628 12.965 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -2.650 2.799 14.170 1.00 0.00 H new ATOM 1817 N ASP A 113 -2.936 5.812 13.055 1.00 0.00 N ATOM 1818 CA ASP A 113 -3.761 6.988 13.310 1.00 0.00 C ATOM 1819 C ASP A 113 -3.837 7.895 12.081 1.00 0.00 C ATOM 1820 O ASP A 113 -4.916 8.350 11.701 1.00 0.00 O ATOM 1821 CB ASP A 113 -3.209 7.773 14.501 1.00 0.00 C ATOM 1822 CG ASP A 113 -4.252 8.668 15.138 1.00 0.00 C ATOM 1823 OD1 ASP A 113 -5.434 8.265 15.182 1.00 0.00 O ATOM 1824 OD2 ASP A 113 -3.889 9.773 15.592 1.00 0.00 O ATOM 0 H ASP A 113 -1.992 5.872 13.437 1.00 0.00 H new ATOM 0 HA ASP A 113 -4.769 6.643 13.540 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -2.829 7.075 15.247 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -2.365 8.380 14.173 1.00 0.00 H new ATOM 1829 N ASP A 114 -2.682 8.167 11.472 1.00 0.00 N ATOM 1830 CA ASP A 114 -2.621 9.033 10.298 1.00 0.00 C ATOM 1831 C ASP A 114 -3.320 8.394 9.104 1.00 0.00 C ATOM 1832 O ASP A 114 -4.023 9.068 8.353 1.00 0.00 O ATOM 1833 CB ASP A 114 -1.169 9.347 9.941 1.00 0.00 C ATOM 1834 CG ASP A 114 -0.831 10.814 10.127 1.00 0.00 C ATOM 1835 OD1 ASP A 114 -1.178 11.372 11.190 1.00 0.00 O ATOM 1836 OD2 ASP A 114 -0.221 11.403 9.211 1.00 0.00 O ATOM 0 H ASP A 114 -1.779 7.800 11.773 1.00 0.00 H new ATOM 0 HA ASP A 114 -3.138 9.961 10.543 1.00 0.00 H new ATOM 0 HB2 ASP A 114 -0.507 8.743 10.561 1.00 0.00 H new ATOM 0 HB3 ASP A 114 -0.983 9.063 8.905 1.00 0.00 H new ATOM 1841 N PHE A 115 -3.127 7.094 8.937 1.00 0.00 N ATOM 1842 CA PHE A 115 -3.744 6.369 7.837 1.00 0.00 C ATOM 1843 C PHE A 115 -5.214 6.087 8.168 1.00 0.00 C ATOM 1844 O PHE A 115 -5.668 6.391 9.271 1.00 0.00 O ATOM 1845 CB PHE A 115 -2.948 5.081 7.558 1.00 0.00 C ATOM 1846 CG PHE A 115 -3.572 3.823 8.079 1.00 0.00 C ATOM 1847 CD1 PHE A 115 -3.974 3.744 9.395 1.00 0.00 C ATOM 1848 CD2 PHE A 115 -3.741 2.720 7.259 1.00 0.00 C ATOM 1849 CE1 PHE A 115 -4.533 2.589 9.895 1.00 0.00 C ATOM 1850 CE2 PHE A 115 -4.303 1.560 7.750 1.00 0.00 C ATOM 1851 CZ PHE A 115 -4.698 1.496 9.071 1.00 0.00 C ATOM 0 H PHE A 115 -2.548 6.520 9.550 1.00 0.00 H new ATOM 0 HA PHE A 115 -3.724 6.969 6.928 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -2.813 4.982 6.481 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -1.955 5.184 7.996 1.00 0.00 H new ATOM 0 HD1 PHE A 115 -3.849 4.599 10.043 1.00 0.00 H new ATOM 0 HD2 PHE A 115 -3.430 2.768 6.226 1.00 0.00 H new ATOM 0 HE1 PHE A 115 -4.841 2.540 10.929 1.00 0.00 H new ATOM 0 HE2 PHE A 115 -4.433 0.705 7.103 1.00 0.00 H new ATOM 0 HZ PHE A 115 -5.137 0.589 9.460 1.00 0.00 H new ATOM 1861 N PRO A 116 -5.993 5.527 7.224 1.00 0.00 N ATOM 1862 CA PRO A 116 -7.415 5.250 7.456 1.00 0.00 C ATOM 1863 C PRO A 116 -7.650 4.408 8.712 1.00 0.00 C ATOM 1864 O PRO A 116 -7.045 3.349 8.880 1.00 0.00 O ATOM 1865 CB PRO A 116 -7.853 4.479 6.200 1.00 0.00 C ATOM 1866 CG PRO A 116 -6.592 4.104 5.495 1.00 0.00 C ATOM 1867 CD PRO A 116 -5.577 5.145 5.868 1.00 0.00 C ATOM 0 HA PRO A 116 -7.980 6.168 7.620 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -8.431 3.594 6.466 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -8.488 5.095 5.564 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -6.259 3.111 5.795 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -6.743 4.077 4.416 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -4.563 4.746 5.852 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -5.596 5.993 5.184 1.00 0.00 H new ATOM 1875 N PRO A 117 -8.537 4.874 9.615 1.00 0.00 N ATOM 1876 CA PRO A 117 -8.849 4.163 10.861 1.00 0.00 C ATOM 1877 C PRO A 117 -9.618 2.871 10.617 1.00 0.00 C ATOM 1878 O PRO A 117 -9.421 1.878 11.316 1.00 0.00 O ATOM 1879 CB PRO A 117 -9.715 5.161 11.635 1.00 0.00 C ATOM 1880 CG PRO A 117 -10.326 6.024 10.588 1.00 0.00 C ATOM 1881 CD PRO A 117 -9.301 6.132 9.494 1.00 0.00 C ATOM 0 HA PRO A 117 -7.946 3.860 11.391 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -10.478 4.651 12.222 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -9.116 5.748 12.332 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -11.252 5.588 10.214 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -10.575 7.007 10.988 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -9.768 6.226 8.514 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -8.662 7.005 9.627 1.00 0.00 H new ATOM 1889 N ALA A 118 -10.491 2.886 9.616 1.00 0.00 N ATOM 1890 CA ALA A 118 -11.284 1.710 9.277 1.00 0.00 C ATOM 1891 C ALA A 118 -10.418 0.615 8.668 1.00 0.00 C ATOM 1892 O ALA A 118 -10.869 -0.515 8.474 1.00 0.00 O ATOM 1893 CB ALA A 118 -12.414 2.088 8.332 1.00 0.00 C ATOM 0 H ALA A 118 -10.668 3.699 9.025 1.00 0.00 H new ATOM 0 HA ALA A 118 -11.715 1.318 10.198 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -12.997 1.200 8.088 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -13.059 2.825 8.812 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -11.998 2.511 7.418 1.00 0.00 H new ATOM 1899 N ASN A 119 -9.177 0.960 8.362 1.00 0.00 N ATOM 1900 CA ASN A 119 -8.238 0.027 7.768 1.00 0.00 C ATOM 1901 C ASN A 119 -7.167 -0.392 8.779 1.00 0.00 C ATOM 1902 O ASN A 119 -6.095 -0.862 8.402 1.00 0.00 O ATOM 1903 CB ASN A 119 -7.598 0.700 6.558 1.00 0.00 C ATOM 1904 CG ASN A 119 -8.315 0.367 5.262 1.00 0.00 C ATOM 1905 OD1 ASN A 119 -9.174 -0.513 5.223 1.00 0.00 O ATOM 1906 ND2 ASN A 119 -7.973 1.081 4.195 1.00 0.00 N ATOM 0 H ASN A 119 -8.795 1.893 8.519 1.00 0.00 H new ATOM 0 HA ASN A 119 -8.764 -0.877 7.460 1.00 0.00 H new ATOM 0 HB2 ASN A 119 -7.600 1.780 6.704 1.00 0.00 H new ATOM 0 HB3 ASN A 119 -6.556 0.390 6.483 1.00 0.00 H new ATOM 0 HD21 ASN A 119 -8.428 0.909 3.299 1.00 0.00 H new ATOM 0 HD22 ASN A 119 -7.255 1.801 4.272 1.00 0.00 H new ATOM 1913 N GLU A 120 -7.471 -0.202 10.067 1.00 0.00 N ATOM 1914 CA GLU A 120 -6.545 -0.533 11.154 1.00 0.00 C ATOM 1915 C GLU A 120 -6.274 -2.036 11.299 1.00 0.00 C ATOM 1916 O GLU A 120 -5.188 -2.420 11.724 1.00 0.00 O ATOM 1917 CB GLU A 120 -7.069 0.025 12.480 1.00 0.00 C ATOM 1918 CG GLU A 120 -6.085 0.948 13.180 1.00 0.00 C ATOM 1919 CD GLU A 120 -6.245 0.935 14.688 1.00 0.00 C ATOM 1920 OE1 GLU A 120 -7.287 1.419 15.179 1.00 0.00 O ATOM 1921 OE2 GLU A 120 -5.329 0.440 15.378 1.00 0.00 O ATOM 0 H GLU A 120 -8.361 0.183 10.384 1.00 0.00 H new ATOM 0 HA GLU A 120 -5.594 -0.069 10.893 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -7.996 0.568 12.296 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -7.312 -0.805 13.144 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -5.068 0.651 12.924 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -6.222 1.965 12.813 1.00 0.00 H new ATOM 1928 N PRO A 121 -7.242 -2.918 10.986 1.00 0.00 N ATOM 1929 CA PRO A 121 -7.047 -4.365 11.134 1.00 0.00 C ATOM 1930 C PRO A 121 -5.688 -4.847 10.624 1.00 0.00 C ATOM 1931 O PRO A 121 -5.084 -5.745 11.210 1.00 0.00 O ATOM 1932 CB PRO A 121 -8.180 -4.944 10.293 1.00 0.00 C ATOM 1933 CG PRO A 121 -9.275 -3.943 10.420 1.00 0.00 C ATOM 1934 CD PRO A 121 -8.601 -2.597 10.498 1.00 0.00 C ATOM 0 HA PRO A 121 -7.061 -4.674 12.179 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -7.878 -5.075 9.254 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -8.490 -5.922 10.661 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -9.950 -3.992 9.565 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -9.874 -4.131 11.311 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -8.572 -2.106 9.525 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -9.124 -1.925 11.179 1.00 0.00 H new ATOM 1942 N VAL A 122 -5.204 -4.247 9.541 1.00 0.00 N ATOM 1943 CA VAL A 122 -3.912 -4.625 8.976 1.00 0.00 C ATOM 1944 C VAL A 122 -2.750 -4.033 9.774 1.00 0.00 C ATOM 1945 O VAL A 122 -1.809 -4.738 10.138 1.00 0.00 O ATOM 1946 CB VAL A 122 -3.774 -4.172 7.504 1.00 0.00 C ATOM 1947 CG1 VAL A 122 -2.339 -4.339 7.019 1.00 0.00 C ATOM 1948 CG2 VAL A 122 -4.729 -4.946 6.611 1.00 0.00 C ATOM 0 H VAL A 122 -5.684 -3.500 9.039 1.00 0.00 H new ATOM 0 HA VAL A 122 -3.871 -5.713 9.026 1.00 0.00 H new ATOM 0 HB VAL A 122 -4.034 -3.115 7.451 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -2.266 -4.014 5.981 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -1.674 -3.735 7.636 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -2.050 -5.387 7.092 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -4.615 -4.611 5.580 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -4.504 -6.011 6.674 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -5.754 -4.772 6.938 1.00 0.00 H new ATOM 1958 N ILE A 123 -2.809 -2.726 10.006 1.00 0.00 N ATOM 1959 CA ILE A 123 -1.747 -2.025 10.719 1.00 0.00 C ATOM 1960 C ILE A 123 -1.761 -2.291 12.219 1.00 0.00 C ATOM 1961 O ILE A 123 -0.714 -2.466 12.825 1.00 0.00 O ATOM 1962 CB ILE A 123 -1.825 -0.503 10.493 1.00 0.00 C ATOM 1963 CG1 ILE A 123 -2.013 -0.189 9.009 1.00 0.00 C ATOM 1964 CG2 ILE A 123 -0.569 0.172 11.020 1.00 0.00 C ATOM 1965 CD1 ILE A 123 -0.764 -0.412 8.188 1.00 0.00 C ATOM 0 H ILE A 123 -3.582 -2.130 9.710 1.00 0.00 H new ATOM 0 HA ILE A 123 -0.817 -2.418 10.307 1.00 0.00 H new ATOM 0 HB ILE A 123 -2.686 -0.116 11.038 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -2.816 -0.810 8.612 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -2.330 0.848 8.902 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -0.637 1.247 10.854 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -0.471 -0.025 12.088 1.00 0.00 H new ATOM 0 HG23 ILE A 123 0.302 -0.222 10.497 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -0.967 -0.171 7.145 1.00 0.00 H new ATOM 0 HD12 ILE A 123 0.035 0.229 8.560 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -0.459 -1.455 8.266 1.00 0.00 H new ATOM 1977 N ALA A 124 -2.935 -2.302 12.825 1.00 0.00 N ATOM 1978 CA ALA A 124 -3.038 -2.518 14.264 1.00 0.00 C ATOM 1979 C ALA A 124 -2.326 -3.796 14.701 1.00 0.00 C ATOM 1980 O ALA A 124 -1.858 -3.895 15.835 1.00 0.00 O ATOM 1981 CB ALA A 124 -4.499 -2.557 14.688 1.00 0.00 C ATOM 0 H ALA A 124 -3.827 -2.165 12.350 1.00 0.00 H new ATOM 0 HA ALA A 124 -2.543 -1.682 14.757 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -4.561 -2.719 15.764 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -4.977 -1.610 14.435 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -5.007 -3.370 14.169 1.00 0.00 H new ATOM 1987 N LYS A 125 -2.245 -4.773 13.806 1.00 0.00 N ATOM 1988 CA LYS A 125 -1.588 -6.038 14.124 1.00 0.00 C ATOM 1989 C LYS A 125 -0.065 -5.940 14.002 1.00 0.00 C ATOM 1990 O LYS A 125 0.663 -6.282 14.935 1.00 0.00 O ATOM 1991 CB LYS A 125 -2.112 -7.149 13.212 1.00 0.00 C ATOM 1992 CG LYS A 125 -3.278 -7.923 13.803 1.00 0.00 C ATOM 1993 CD LYS A 125 -4.424 -7.000 14.184 1.00 0.00 C ATOM 1994 CE LYS A 125 -5.540 -7.758 14.886 1.00 0.00 C ATOM 1995 NZ LYS A 125 -6.627 -6.849 15.341 1.00 0.00 N ATOM 0 H LYS A 125 -2.623 -4.716 12.860 1.00 0.00 H new ATOM 0 HA LYS A 125 -1.823 -6.275 15.162 1.00 0.00 H new ATOM 0 HB2 LYS A 125 -2.421 -6.712 12.262 1.00 0.00 H new ATOM 0 HB3 LYS A 125 -1.300 -7.842 12.995 1.00 0.00 H new ATOM 0 HG2 LYS A 125 -3.629 -8.661 13.082 1.00 0.00 H new ATOM 0 HG3 LYS A 125 -2.943 -8.471 14.683 1.00 0.00 H new ATOM 0 HD2 LYS A 125 -4.054 -6.209 14.836 1.00 0.00 H new ATOM 0 HD3 LYS A 125 -4.817 -6.518 13.289 1.00 0.00 H new ATOM 0 HE2 LYS A 125 -5.952 -8.507 14.209 1.00 0.00 H new ATOM 0 HE3 LYS A 125 -5.132 -8.294 15.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 -7.368 -7.404 15.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 -6.239 -6.150 16.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 -7.034 -6.357 14.520 1.00 0.00 H new ATOM 2009 N LEU A 126 0.410 -5.488 12.844 1.00 0.00 N ATOM 2010 CA LEU A 126 1.844 -5.365 12.596 1.00 0.00 C ATOM 2011 C LEU A 126 2.431 -4.115 13.246 1.00 0.00 C ATOM 2012 O LEU A 126 3.594 -4.103 13.648 1.00 0.00 O ATOM 2013 CB LEU A 126 2.119 -5.357 11.091 1.00 0.00 C ATOM 2014 CG LEU A 126 2.031 -6.728 10.418 1.00 0.00 C ATOM 2015 CD1 LEU A 126 3.173 -7.621 10.877 1.00 0.00 C ATOM 2016 CD2 LEU A 126 0.690 -7.382 10.715 1.00 0.00 C ATOM 0 H LEU A 126 -0.178 -5.201 12.062 1.00 0.00 H new ATOM 0 HA LEU A 126 2.331 -6.229 13.049 1.00 0.00 H new ATOM 0 HB2 LEU A 126 1.409 -4.685 10.609 1.00 0.00 H new ATOM 0 HB3 LEU A 126 3.114 -4.946 10.919 1.00 0.00 H new ATOM 0 HG LEU A 126 2.115 -6.589 9.340 1.00 0.00 H new ATOM 0 HD11 LEU A 126 3.095 -8.592 10.388 1.00 0.00 H new ATOM 0 HD12 LEU A 126 4.125 -7.159 10.615 1.00 0.00 H new ATOM 0 HD13 LEU A 126 3.120 -7.753 11.958 1.00 0.00 H new ATOM 0 HD21 LEU A 126 0.645 -8.356 10.228 1.00 0.00 H new ATOM 0 HD22 LEU A 126 0.577 -7.508 11.792 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -0.114 -6.750 10.338 1.00 0.00 H new ATOM 2028 N LYS A 127 1.623 -3.066 13.348 1.00 0.00 N ATOM 2029 CA LYS A 127 2.061 -1.809 13.951 1.00 0.00 C ATOM 2030 C LYS A 127 2.622 -2.048 15.341 1.00 0.00 C ATOM 2031 O LYS A 127 3.652 -1.487 15.715 1.00 0.00 O ATOM 2032 CB LYS A 127 0.899 -0.836 14.037 1.00 0.00 C ATOM 2033 CG LYS A 127 1.268 0.512 14.630 1.00 0.00 C ATOM 2034 CD LYS A 127 0.204 1.559 14.339 1.00 0.00 C ATOM 2035 CE LYS A 127 -0.001 2.487 15.525 1.00 0.00 C ATOM 2036 NZ LYS A 127 -0.823 1.851 16.592 1.00 0.00 N ATOM 0 H LYS A 127 0.657 -3.060 13.020 1.00 0.00 H new ATOM 0 HA LYS A 127 2.843 -1.385 13.321 1.00 0.00 H new ATOM 0 HB2 LYS A 127 0.491 -0.683 13.038 1.00 0.00 H new ATOM 0 HB3 LYS A 127 0.108 -1.283 14.639 1.00 0.00 H new ATOM 0 HG2 LYS A 127 1.398 0.413 15.708 1.00 0.00 H new ATOM 0 HG3 LYS A 127 2.224 0.840 14.223 1.00 0.00 H new ATOM 0 HD2 LYS A 127 0.495 2.142 13.465 1.00 0.00 H new ATOM 0 HD3 LYS A 127 -0.737 1.066 14.094 1.00 0.00 H new ATOM 0 HE2 LYS A 127 0.968 2.772 15.935 1.00 0.00 H new ATOM 0 HE3 LYS A 127 -0.487 3.403 15.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 -0.940 2.516 17.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 -1.757 1.602 16.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 -0.347 0.991 16.931 1.00 0.00 H new ATOM 2050 N ARG A 128 1.943 -2.903 16.096 1.00 0.00 N ATOM 2051 CA ARG A 128 2.380 -3.244 17.438 1.00 0.00 C ATOM 2052 C ARG A 128 3.646 -4.093 17.374 1.00 0.00 C ATOM 2053 O ARG A 128 4.257 -4.397 18.399 1.00 0.00 O ATOM 2054 CB ARG A 128 1.273 -4.001 18.179 1.00 0.00 C ATOM 2055 CG ARG A 128 1.676 -4.467 19.569 1.00 0.00 C ATOM 2056 CD ARG A 128 0.505 -5.098 20.307 1.00 0.00 C ATOM 2057 NE ARG A 128 -0.550 -4.128 20.591 1.00 0.00 N ATOM 2058 CZ ARG A 128 -0.502 -3.253 21.593 1.00 0.00 C ATOM 2059 NH1 ARG A 128 0.547 -3.223 22.407 1.00 0.00 N ATOM 2060 NH2 ARG A 128 -1.505 -2.407 21.782 1.00 0.00 N ATOM 0 H ARG A 128 1.087 -3.372 15.799 1.00 0.00 H new ATOM 0 HA ARG A 128 2.598 -2.325 17.982 1.00 0.00 H new ATOM 0 HB2 ARG A 128 0.397 -3.357 18.261 1.00 0.00 H new ATOM 0 HB3 ARG A 128 0.978 -4.867 17.586 1.00 0.00 H new ATOM 0 HG2 ARG A 128 2.489 -5.189 19.490 1.00 0.00 H new ATOM 0 HG3 ARG A 128 2.055 -3.621 20.142 1.00 0.00 H new ATOM 0 HD2 ARG A 128 0.097 -5.913 19.709 1.00 0.00 H new ATOM 0 HD3 ARG A 128 0.858 -5.534 21.242 1.00 0.00 H new ATOM 0 HE ARG A 128 -1.371 -4.121 19.986 1.00 0.00 H new ATOM 0 HH11 ARG A 128 1.321 -3.872 22.266 1.00 0.00 H new ATOM 0 HH12 ARG A 128 0.579 -2.551 23.173 1.00 0.00 H new ATOM 0 HH21 ARG A 128 -2.313 -2.427 21.160 1.00 0.00 H new ATOM 0 HH22 ARG A 128 -1.469 -1.736 22.550 1.00 0.00 H new ATOM 2074 N LEU A 129 4.033 -4.474 16.152 1.00 0.00 N ATOM 2075 CA LEU A 129 5.229 -5.293 15.937 1.00 0.00 C ATOM 2076 C LEU A 129 5.292 -6.449 16.934 1.00 0.00 C ATOM 2077 O LEU A 129 4.387 -7.282 16.992 1.00 0.00 O ATOM 2078 CB LEU A 129 6.511 -4.447 16.034 1.00 0.00 C ATOM 2079 CG LEU A 129 6.326 -2.995 16.489 1.00 0.00 C ATOM 2080 CD1 LEU A 129 6.499 -2.879 17.996 1.00 0.00 C ATOM 2081 CD2 LEU A 129 7.309 -2.081 15.767 1.00 0.00 C ATOM 0 H LEU A 129 3.535 -4.228 15.297 1.00 0.00 H new ATOM 0 HA LEU A 129 5.161 -5.704 14.930 1.00 0.00 H new ATOM 0 HB2 LEU A 129 7.196 -4.939 16.725 1.00 0.00 H new ATOM 0 HB3 LEU A 129 6.994 -4.442 15.057 1.00 0.00 H new ATOM 0 HG LEU A 129 5.313 -2.682 16.236 1.00 0.00 H new ATOM 0 HD11 LEU A 129 6.364 -1.841 18.299 1.00 0.00 H new ATOM 0 HD12 LEU A 129 5.758 -3.502 18.496 1.00 0.00 H new ATOM 0 HD13 LEU A 129 7.499 -3.211 18.274 1.00 0.00 H new ATOM 0 HD21 LEU A 129 7.164 -1.054 16.102 1.00 0.00 H new ATOM 0 HD22 LEU A 129 8.329 -2.395 15.990 1.00 0.00 H new ATOM 0 HD23 LEU A 129 7.138 -2.140 14.692 1.00 0.00 H new