USER MOD reduce.3.24.130724 H: found=0, std=0, add=971, rem=0, adj=14 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 Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -0.249 X(o=-0.25,f=-0.011) USER MOD Single : A 13 ASN : amide:sc= -3.55! C(o=-3.5!,f=-7.6!) USER MOD Single : A 15 ASN :FLIP amide:sc= -0.226 F(o=-1.2,f=-0.23) USER MOD Single : A 16 ASN : amide:sc= 0.124 K(o=0.12,f=-0.96) USER MOD Single : A 21 THR OG1 : rot 34:sc= 0.39! USER MOD Single : A 31 ASN : amide:sc= -1.71 K(o=-1.7,f=-2.4!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 149:sc= -1.35 (180deg=-2.47) USER MOD Single : A 42 MET CE :methyl 154:sc= -0.0665 (180deg=-0.977) USER MOD Single : A 45 THR OG1 : rot 180:sc= -1.01 USER MOD Single : A 48 GLN : amide:sc= -2.3 X(o=-2.3,f=-2.6!) USER MOD Single : A 55 GLN : amide:sc= -0.13 X(o=-0.13,f=0) USER MOD Single : A 61 THR OG1 : rot 104:sc= 0.466 USER MOD Single : A 63 GLN : amide:sc= -0.723 K(o=-0.72,f=-5!) USER MOD Single : A 64 HIS :FLIP no HD1:sc= -18! C(o=-22!,f=-18!) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0506) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HD1:sc= -1.99 X(o=-2,f=-1.9) USER MOD Single : A 81 THR OG1 : rot -154:sc= -1.14 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 GLN : amide:sc= -1.29 K(o=-1.3,f=-3!) USER MOD Single : A 105 MET CE :methyl -118:sc= -6.2! (180deg=-12.3!) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 111 ASN : amide:sc= -1.13 K(o=-1.1,f=-4.6!) USER MOD Single : A 119 ASN : amide:sc= -0.626 K(o=-0.63,f=-1.9!) USER MOD Single : A 125 LYS NZ :NH3+ -151:sc= 0.844 (180deg=0.325) USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 20 N LYS A 2 -21.794 -4.974 -1.727 1.00 0.00 N ATOM 21 CA LYS A 2 -20.652 -4.280 -2.310 1.00 0.00 C ATOM 22 C LYS A 2 -19.355 -5.027 -2.018 1.00 0.00 C ATOM 23 O LYS A 2 -19.147 -5.522 -0.909 1.00 0.00 O ATOM 24 CB LYS A 2 -20.565 -2.852 -1.769 1.00 0.00 C ATOM 25 CG LYS A 2 -19.992 -1.858 -2.766 1.00 0.00 C ATOM 26 CD LYS A 2 -20.915 -1.672 -3.959 1.00 0.00 C ATOM 27 CE LYS A 2 -21.759 -0.414 -3.820 1.00 0.00 C ATOM 28 NZ LYS A 2 -22.004 0.239 -5.135 1.00 0.00 N ATOM 0 HA LYS A 2 -20.794 -4.243 -3.390 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -21.561 -2.523 -1.472 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -19.948 -2.850 -0.871 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -19.833 -0.898 -2.274 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -19.018 -2.206 -3.109 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -20.323 -1.615 -4.873 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -21.567 -2.540 -4.055 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -22.713 -0.666 -3.357 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -21.257 0.288 -3.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -22.582 1.092 -4.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -21.095 0.503 -5.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -22.506 -0.421 -5.762 1.00 0.00 H new ATOM 42 N LYS A 3 -18.485 -5.106 -3.019 1.00 0.00 N ATOM 43 CA LYS A 3 -17.207 -5.792 -2.871 1.00 0.00 C ATOM 44 C LYS A 3 -16.094 -5.025 -3.577 1.00 0.00 C ATOM 45 O LYS A 3 -16.219 -4.668 -4.748 1.00 0.00 O ATOM 46 CB LYS A 3 -17.298 -7.212 -3.432 1.00 0.00 C ATOM 47 CG LYS A 3 -18.287 -8.098 -2.691 1.00 0.00 C ATOM 48 CD LYS A 3 -19.187 -8.858 -3.652 1.00 0.00 C ATOM 49 CE LYS A 3 -20.131 -9.791 -2.911 1.00 0.00 C ATOM 50 NZ LYS A 3 -21.281 -10.207 -3.761 1.00 0.00 N ATOM 0 H LYS A 3 -18.642 -4.703 -3.943 1.00 0.00 H new ATOM 0 HA LYS A 3 -16.972 -5.843 -1.808 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -17.585 -7.161 -4.482 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -16.311 -7.673 -3.394 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -17.744 -8.805 -2.064 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -18.897 -7.486 -2.027 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -19.765 -8.151 -4.247 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -18.575 -9.434 -4.347 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -19.584 -10.675 -2.582 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -20.503 -9.294 -2.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -21.901 -10.842 -3.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -21.818 -9.366 -4.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -20.928 -10.703 -4.604 1.00 0.00 H new ATOM 64 N LEU A 4 -15.007 -4.770 -2.856 1.00 0.00 N ATOM 65 CA LEU A 4 -13.874 -4.042 -3.415 1.00 0.00 C ATOM 66 C LEU A 4 -12.554 -4.550 -2.837 1.00 0.00 C ATOM 67 O LEU A 4 -12.398 -4.661 -1.622 1.00 0.00 O ATOM 68 CB LEU A 4 -14.031 -2.544 -3.147 1.00 0.00 C ATOM 69 CG LEU A 4 -14.144 -2.158 -1.673 1.00 0.00 C ATOM 70 CD1 LEU A 4 -12.790 -1.735 -1.130 1.00 0.00 C ATOM 71 CD2 LEU A 4 -15.166 -1.045 -1.488 1.00 0.00 C ATOM 0 H LEU A 4 -14.887 -5.056 -1.884 1.00 0.00 H new ATOM 0 HA LEU A 4 -13.856 -4.211 -4.492 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -13.177 -2.022 -3.579 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -14.919 -2.188 -3.669 1.00 0.00 H new ATOM 0 HG LEU A 4 -14.483 -3.030 -1.113 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -12.888 -1.463 -0.079 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -12.085 -2.561 -1.227 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -12.424 -0.877 -1.694 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -15.232 -0.784 -0.432 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -14.858 -0.170 -2.060 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -16.140 -1.384 -1.840 1.00 0.00 H new ATOM 83 N GLN A 5 -11.615 -4.873 -3.720 1.00 0.00 N ATOM 84 CA GLN A 5 -10.313 -5.388 -3.311 1.00 0.00 C ATOM 85 C GLN A 5 -9.221 -4.326 -3.394 1.00 0.00 C ATOM 86 O GLN A 5 -9.312 -3.375 -4.170 1.00 0.00 O ATOM 87 CB GLN A 5 -9.924 -6.567 -4.194 1.00 0.00 C ATOM 88 CG GLN A 5 -10.992 -7.637 -4.253 1.00 0.00 C ATOM 89 CD GLN A 5 -10.466 -8.967 -4.760 1.00 0.00 C ATOM 90 OE1 GLN A 5 -10.998 -9.536 -5.712 1.00 0.00 O ATOM 91 NE2 GLN A 5 -9.414 -9.468 -4.123 1.00 0.00 N ATOM 0 H GLN A 5 -11.733 -4.787 -4.729 1.00 0.00 H new ATOM 0 HA GLN A 5 -10.402 -5.701 -2.271 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -9.721 -6.207 -5.203 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -8.999 -7.005 -3.820 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -11.417 -7.775 -3.259 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -11.801 -7.301 -4.901 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -9.004 -8.962 -3.338 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -9.015 -10.359 -4.419 1.00 0.00 H new ATOM 100 N ILE A 6 -8.180 -4.515 -2.592 1.00 0.00 N ATOM 101 CA ILE A 6 -7.048 -3.601 -2.569 1.00 0.00 C ATOM 102 C ILE A 6 -5.753 -4.354 -2.275 1.00 0.00 C ATOM 103 O ILE A 6 -5.669 -5.113 -1.310 1.00 0.00 O ATOM 104 CB ILE A 6 -7.245 -2.479 -1.529 1.00 0.00 C ATOM 105 CG1 ILE A 6 -8.324 -1.509 -2.009 1.00 0.00 C ATOM 106 CG2 ILE A 6 -5.936 -1.741 -1.276 1.00 0.00 C ATOM 107 CD1 ILE A 6 -9.689 -1.789 -1.423 1.00 0.00 C ATOM 0 H ILE A 6 -8.098 -5.299 -1.945 1.00 0.00 H new ATOM 0 HA ILE A 6 -6.981 -3.144 -3.556 1.00 0.00 H new ATOM 0 HB ILE A 6 -7.566 -2.927 -0.589 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -8.028 -0.492 -1.751 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -8.387 -1.557 -3.096 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -6.098 -0.954 -0.539 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -5.190 -2.441 -0.900 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -5.582 -1.299 -2.207 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -10.406 -1.063 -1.807 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -10.006 -2.794 -1.702 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -9.641 -1.713 -0.337 1.00 0.00 H new ATOM 119 N ALA A 7 -4.741 -4.118 -3.099 1.00 0.00 N ATOM 120 CA ALA A 7 -3.444 -4.751 -2.918 1.00 0.00 C ATOM 121 C ALA A 7 -2.368 -3.689 -2.843 1.00 0.00 C ATOM 122 O ALA A 7 -2.263 -2.849 -3.728 1.00 0.00 O ATOM 123 CB ALA A 7 -3.150 -5.731 -4.045 1.00 0.00 C ATOM 0 H ALA A 7 -4.795 -3.491 -3.901 1.00 0.00 H new ATOM 0 HA ALA A 7 -3.458 -5.315 -1.985 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -2.174 -6.189 -3.884 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -3.916 -6.506 -4.062 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -3.149 -5.201 -4.997 1.00 0.00 H new ATOM 129 N VAL A 8 -1.577 -3.710 -1.790 1.00 0.00 N ATOM 130 CA VAL A 8 -0.533 -2.714 -1.633 1.00 0.00 C ATOM 131 C VAL A 8 0.743 -3.330 -1.076 1.00 0.00 C ATOM 132 O VAL A 8 0.724 -4.423 -0.514 1.00 0.00 O ATOM 133 CB VAL A 8 -0.998 -1.544 -0.729 1.00 0.00 C ATOM 134 CG1 VAL A 8 -2.502 -1.593 -0.497 1.00 0.00 C ATOM 135 CG2 VAL A 8 -0.254 -1.545 0.599 1.00 0.00 C ATOM 0 H VAL A 8 -1.634 -4.396 -1.038 1.00 0.00 H new ATOM 0 HA VAL A 8 -0.319 -2.317 -2.626 1.00 0.00 H new ATOM 0 HB VAL A 8 -0.763 -0.615 -1.249 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -2.799 -0.760 0.140 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -3.020 -1.521 -1.453 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -2.765 -2.533 -0.012 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -0.602 -0.713 1.211 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -0.442 -2.483 1.121 1.00 0.00 H new ATOM 0 HG23 VAL A 8 0.815 -1.439 0.417 1.00 0.00 H new ATOM 145 N GLY A 9 1.844 -2.611 -1.236 1.00 0.00 N ATOM 146 CA GLY A 9 3.117 -3.084 -0.744 1.00 0.00 C ATOM 147 C GLY A 9 4.014 -1.946 -0.300 1.00 0.00 C ATOM 148 O GLY A 9 4.215 -0.985 -1.041 1.00 0.00 O ATOM 0 H GLY A 9 1.876 -1.704 -1.701 1.00 0.00 H new ATOM 0 HA2 GLY A 9 2.952 -3.763 0.093 1.00 0.00 H new ATOM 0 HA3 GLY A 9 3.617 -3.656 -1.525 1.00 0.00 H new ATOM 152 N ILE A 10 4.562 -2.055 0.905 1.00 0.00 N ATOM 153 CA ILE A 10 5.448 -1.029 1.428 1.00 0.00 C ATOM 154 C ILE A 10 6.768 -1.062 0.670 1.00 0.00 C ATOM 155 O ILE A 10 7.533 -2.015 0.797 1.00 0.00 O ATOM 156 CB ILE A 10 5.718 -1.222 2.937 1.00 0.00 C ATOM 157 CG1 ILE A 10 5.511 -2.680 3.366 1.00 0.00 C ATOM 158 CG2 ILE A 10 4.832 -0.299 3.757 1.00 0.00 C ATOM 159 CD1 ILE A 10 6.160 -3.017 4.690 1.00 0.00 C ATOM 0 H ILE A 10 4.407 -2.842 1.535 1.00 0.00 H new ATOM 0 HA ILE A 10 4.959 -0.064 1.294 1.00 0.00 H new ATOM 0 HB ILE A 10 6.762 -0.967 3.121 1.00 0.00 H new ATOM 0 HG12 ILE A 10 4.442 -2.883 3.432 1.00 0.00 H new ATOM 0 HG13 ILE A 10 5.913 -3.338 2.595 1.00 0.00 H new ATOM 0 HG21 ILE A 10 5.035 -0.448 4.818 1.00 0.00 H new ATOM 0 HG22 ILE A 10 5.040 0.737 3.490 1.00 0.00 H new ATOM 0 HG23 ILE A 10 3.785 -0.524 3.553 1.00 0.00 H new ATOM 0 HD11 ILE A 10 5.973 -4.064 4.931 1.00 0.00 H new ATOM 0 HD12 ILE A 10 7.234 -2.846 4.622 1.00 0.00 H new ATOM 0 HD13 ILE A 10 5.741 -2.384 5.472 1.00 0.00 H new ATOM 171 N ILE A 11 7.020 -0.031 -0.133 1.00 0.00 N ATOM 172 CA ILE A 11 8.242 0.028 -0.931 1.00 0.00 C ATOM 173 C ILE A 11 9.466 0.271 -0.062 1.00 0.00 C ATOM 174 O ILE A 11 9.543 1.262 0.659 1.00 0.00 O ATOM 175 CB ILE A 11 8.180 1.119 -2.019 1.00 0.00 C ATOM 176 CG1 ILE A 11 6.747 1.304 -2.530 1.00 0.00 C ATOM 177 CG2 ILE A 11 9.114 0.756 -3.167 1.00 0.00 C ATOM 178 CD1 ILE A 11 6.666 2.003 -3.870 1.00 0.00 C ATOM 0 H ILE A 11 6.399 0.770 -0.248 1.00 0.00 H new ATOM 0 HA ILE A 11 8.327 -0.945 -1.416 1.00 0.00 H new ATOM 0 HB ILE A 11 8.503 2.064 -1.582 1.00 0.00 H new ATOM 0 HG12 ILE A 11 6.270 0.327 -2.610 1.00 0.00 H new ATOM 0 HG13 ILE A 11 6.180 1.877 -1.796 1.00 0.00 H new ATOM 0 HG21 ILE A 11 9.067 1.530 -3.933 1.00 0.00 H new ATOM 0 HG22 ILE A 11 10.135 0.677 -2.794 1.00 0.00 H new ATOM 0 HG23 ILE A 11 8.809 -0.199 -3.596 1.00 0.00 H new ATOM 0 HD11 ILE A 11 5.622 2.099 -4.168 1.00 0.00 H new ATOM 0 HD12 ILE A 11 7.113 2.994 -3.791 1.00 0.00 H new ATOM 0 HD13 ILE A 11 7.205 1.420 -4.617 1.00 0.00 H new ATOM 190 N ARG A 12 10.419 -0.653 -0.139 1.00 0.00 N ATOM 191 CA ARG A 12 11.646 -0.559 0.640 1.00 0.00 C ATOM 192 C ARG A 12 12.669 0.340 -0.037 1.00 0.00 C ATOM 193 O ARG A 12 13.037 0.124 -1.196 1.00 0.00 O ATOM 194 CB ARG A 12 12.246 -1.945 0.867 1.00 0.00 C ATOM 195 CG ARG A 12 12.120 -2.420 2.302 1.00 0.00 C ATOM 196 CD ARG A 12 13.480 -2.584 2.962 1.00 0.00 C ATOM 197 NE ARG A 12 13.396 -2.514 4.418 1.00 0.00 N ATOM 198 CZ ARG A 12 12.912 -3.491 5.181 1.00 0.00 C ATOM 199 NH1 ARG A 12 12.468 -4.615 4.630 1.00 0.00 N ATOM 200 NH2 ARG A 12 12.871 -3.346 6.499 1.00 0.00 N ATOM 0 H ARG A 12 10.363 -1.478 -0.736 1.00 0.00 H new ATOM 0 HA ARG A 12 11.388 -0.118 1.603 1.00 0.00 H new ATOM 0 HB2 ARG A 12 11.752 -2.660 0.209 1.00 0.00 H new ATOM 0 HB3 ARG A 12 13.299 -1.929 0.587 1.00 0.00 H new ATOM 0 HG2 ARG A 12 11.523 -1.706 2.870 1.00 0.00 H new ATOM 0 HG3 ARG A 12 11.587 -3.371 2.325 1.00 0.00 H new ATOM 0 HD2 ARG A 12 13.911 -3.542 2.670 1.00 0.00 H new ATOM 0 HD3 ARG A 12 14.154 -1.807 2.600 1.00 0.00 H new ATOM 0 HE ARG A 12 13.728 -1.666 4.878 1.00 0.00 H new ATOM 0 HH11 ARG A 12 12.497 -4.733 3.617 1.00 0.00 H new ATOM 0 HH12 ARG A 12 12.098 -5.361 5.220 1.00 0.00 H new ATOM 0 HH21 ARG A 12 13.211 -2.485 6.928 1.00 0.00 H new ATOM 0 HH22 ARG A 12 12.500 -4.095 7.083 1.00 0.00 H new ATOM 214 N ASN A 13 13.115 1.345 0.712 1.00 0.00 N ATOM 215 CA ASN A 13 14.096 2.315 0.238 1.00 0.00 C ATOM 216 C ASN A 13 15.483 1.702 0.098 1.00 0.00 C ATOM 217 O ASN A 13 15.703 0.526 0.387 1.00 0.00 O ATOM 218 CB ASN A 13 14.132 3.509 1.192 1.00 0.00 C ATOM 219 CG ASN A 13 15.212 4.530 0.887 1.00 0.00 C ATOM 220 OD1 ASN A 13 16.333 4.434 1.388 1.00 0.00 O ATOM 221 ND2 ASN A 13 14.880 5.517 0.063 1.00 0.00 N ATOM 0 H ASN A 13 12.804 1.510 1.669 1.00 0.00 H new ATOM 0 HA ASN A 13 13.793 2.647 -0.755 1.00 0.00 H new ATOM 0 HB2 ASN A 13 13.163 4.007 1.167 1.00 0.00 H new ATOM 0 HB3 ASN A 13 14.275 3.141 2.208 1.00 0.00 H new ATOM 0 HD21 ASN A 13 15.565 6.233 -0.177 1.00 0.00 H new ATOM 0 HD22 ASN A 13 13.940 5.559 -0.330 1.00 0.00 H new ATOM 228 N GLU A 14 16.400 2.531 -0.363 1.00 0.00 N ATOM 229 CA GLU A 14 17.788 2.146 -0.583 1.00 0.00 C ATOM 230 C GLU A 14 18.457 1.599 0.678 1.00 0.00 C ATOM 231 O GLU A 14 19.506 0.960 0.599 1.00 0.00 O ATOM 232 CB GLU A 14 18.563 3.359 -1.102 1.00 0.00 C ATOM 233 CG GLU A 14 20.073 3.171 -1.124 1.00 0.00 C ATOM 234 CD GLU A 14 20.793 4.321 -1.799 1.00 0.00 C ATOM 235 OE1 GLU A 14 21.005 5.359 -1.139 1.00 0.00 O ATOM 236 OE2 GLU A 14 21.146 4.183 -2.990 1.00 0.00 O ATOM 0 H GLU A 14 16.203 3.504 -0.599 1.00 0.00 H new ATOM 0 HA GLU A 14 17.798 1.340 -1.317 1.00 0.00 H new ATOM 0 HB2 GLU A 14 18.222 3.589 -2.111 1.00 0.00 H new ATOM 0 HB3 GLU A 14 18.324 4.222 -0.480 1.00 0.00 H new ATOM 0 HG2 GLU A 14 20.438 3.068 -0.102 1.00 0.00 H new ATOM 0 HG3 GLU A 14 20.312 2.243 -1.643 1.00 0.00 H new ATOM 243 N ASN A 15 17.867 1.860 1.834 1.00 0.00 N ATOM 244 CA ASN A 15 18.441 1.395 3.094 1.00 0.00 C ATOM 245 C ASN A 15 17.458 0.520 3.871 1.00 0.00 C ATOM 246 O ASN A 15 17.528 -0.707 3.811 1.00 0.00 O ATOM 247 CB ASN A 15 18.882 2.590 3.946 1.00 0.00 C ATOM 248 CG ASN A 15 19.457 2.170 5.286 1.00 0.00 C ATOM 249 OD1 ASN A 15 18.649 2.271 6.334 1.00 0.00 O flip ATOM 250 ND2 ASN A 15 20.614 1.760 5.375 1.00 0.00 N flip ATOM 0 H ASN A 15 16.999 2.386 1.930 1.00 0.00 H new ATOM 0 HA ASN A 15 19.312 0.783 2.859 1.00 0.00 H new ATOM 0 HB2 ASN A 15 19.628 3.166 3.399 1.00 0.00 H new ATOM 0 HB3 ASN A 15 18.029 3.248 4.111 1.00 0.00 H new ATOM 0 HD21 ASN A 15 21.199 1.699 4.542 1.00 0.00 H new ATOM 0 HD22 ASN A 15 20.988 1.481 6.282 1.00 0.00 H new ATOM 257 N ASN A 16 16.552 1.155 4.607 1.00 0.00 N ATOM 258 CA ASN A 16 15.568 0.422 5.401 1.00 0.00 C ATOM 259 C ASN A 16 14.304 1.247 5.644 1.00 0.00 C ATOM 260 O ASN A 16 13.472 0.889 6.477 1.00 0.00 O ATOM 261 CB ASN A 16 16.179 -0.003 6.734 1.00 0.00 C ATOM 262 CG ASN A 16 16.234 -1.511 6.892 1.00 0.00 C ATOM 263 OD1 ASN A 16 15.343 -2.117 7.488 1.00 0.00 O ATOM 264 ND2 ASN A 16 17.284 -2.124 6.358 1.00 0.00 N ATOM 0 H ASN A 16 16.477 2.170 4.671 1.00 0.00 H new ATOM 0 HA ASN A 16 15.282 -0.463 4.834 1.00 0.00 H new ATOM 0 HB2 ASN A 16 17.187 0.405 6.815 1.00 0.00 H new ATOM 0 HB3 ASN A 16 15.596 0.424 7.550 1.00 0.00 H new ATOM 0 HD21 ASN A 16 17.376 -3.137 6.433 1.00 0.00 H new ATOM 0 HD22 ASN A 16 17.999 -1.582 5.873 1.00 0.00 H new ATOM 271 N GLU A 17 14.152 2.336 4.900 1.00 0.00 N ATOM 272 CA GLU A 17 12.974 3.182 5.028 1.00 0.00 C ATOM 273 C GLU A 17 12.016 2.865 3.893 1.00 0.00 C ATOM 274 O GLU A 17 12.416 2.287 2.891 1.00 0.00 O ATOM 275 CB GLU A 17 13.346 4.674 5.014 1.00 0.00 C ATOM 276 CG GLU A 17 14.727 4.972 4.449 1.00 0.00 C ATOM 277 CD GLU A 17 15.844 4.584 5.400 1.00 0.00 C ATOM 278 OE1 GLU A 17 15.557 3.907 6.409 1.00 0.00 O ATOM 279 OE2 GLU A 17 17.006 4.957 5.133 1.00 0.00 O ATOM 0 H GLU A 17 14.828 2.652 4.204 1.00 0.00 H new ATOM 0 HA GLU A 17 12.497 2.977 5.986 1.00 0.00 H new ATOM 0 HB2 GLU A 17 12.603 5.216 4.429 1.00 0.00 H new ATOM 0 HB3 GLU A 17 13.293 5.059 6.032 1.00 0.00 H new ATOM 0 HG2 GLU A 17 14.854 4.436 3.508 1.00 0.00 H new ATOM 0 HG3 GLU A 17 14.801 6.036 4.223 1.00 0.00 H new ATOM 286 N ILE A 18 10.751 3.219 4.046 1.00 0.00 N ATOM 287 CA ILE A 18 9.773 2.931 3.008 1.00 0.00 C ATOM 288 C ILE A 18 8.918 4.151 2.688 1.00 0.00 C ATOM 289 O ILE A 18 8.477 4.871 3.583 1.00 0.00 O ATOM 290 CB ILE A 18 8.873 1.743 3.411 1.00 0.00 C ATOM 291 CG1 ILE A 18 9.655 0.431 3.308 1.00 0.00 C ATOM 292 CG2 ILE A 18 7.616 1.684 2.549 1.00 0.00 C ATOM 293 CD1 ILE A 18 9.420 -0.508 4.471 1.00 0.00 C ATOM 0 H ILE A 18 10.380 3.699 4.866 1.00 0.00 H new ATOM 0 HA ILE A 18 10.328 2.662 2.109 1.00 0.00 H new ATOM 0 HB ILE A 18 8.561 1.889 4.445 1.00 0.00 H new ATOM 0 HG12 ILE A 18 9.380 -0.075 2.382 1.00 0.00 H new ATOM 0 HG13 ILE A 18 10.719 0.656 3.243 1.00 0.00 H new ATOM 0 HG21 ILE A 18 7.003 0.837 2.857 1.00 0.00 H new ATOM 0 HG22 ILE A 18 7.048 2.606 2.670 1.00 0.00 H new ATOM 0 HG23 ILE A 18 7.898 1.566 1.503 1.00 0.00 H new ATOM 0 HD11 ILE A 18 10.006 -1.416 4.330 1.00 0.00 H new ATOM 0 HD12 ILE A 18 9.722 -0.021 5.398 1.00 0.00 H new ATOM 0 HD13 ILE A 18 8.362 -0.764 4.524 1.00 0.00 H new ATOM 305 N PHE A 19 8.691 4.369 1.398 1.00 0.00 N ATOM 306 CA PHE A 19 7.890 5.491 0.937 1.00 0.00 C ATOM 307 C PHE A 19 6.405 5.147 0.990 1.00 0.00 C ATOM 308 O PHE A 19 5.944 4.227 0.314 1.00 0.00 O ATOM 309 CB PHE A 19 8.313 5.886 -0.488 1.00 0.00 C ATOM 310 CG PHE A 19 7.178 6.000 -1.472 1.00 0.00 C ATOM 311 CD1 PHE A 19 6.752 4.894 -2.190 1.00 0.00 C ATOM 312 CD2 PHE A 19 6.538 7.212 -1.674 1.00 0.00 C ATOM 313 CE1 PHE A 19 5.710 4.995 -3.092 1.00 0.00 C ATOM 314 CE2 PHE A 19 5.496 7.319 -2.574 1.00 0.00 C ATOM 315 CZ PHE A 19 5.082 6.210 -3.284 1.00 0.00 C ATOM 0 H PHE A 19 9.054 3.778 0.650 1.00 0.00 H new ATOM 0 HA PHE A 19 8.059 6.342 1.597 1.00 0.00 H new ATOM 0 HB2 PHE A 19 8.837 6.841 -0.446 1.00 0.00 H new ATOM 0 HB3 PHE A 19 9.025 5.149 -0.859 1.00 0.00 H new ATOM 0 HD1 PHE A 19 7.240 3.942 -2.043 1.00 0.00 H new ATOM 0 HD2 PHE A 19 6.858 8.083 -1.121 1.00 0.00 H new ATOM 0 HE1 PHE A 19 5.387 4.126 -3.646 1.00 0.00 H new ATOM 0 HE2 PHE A 19 5.005 8.270 -2.722 1.00 0.00 H new ATOM 0 HZ PHE A 19 4.268 6.292 -3.989 1.00 0.00 H new ATOM 325 N ILE A 20 5.661 5.895 1.792 1.00 0.00 N ATOM 326 CA ILE A 20 4.226 5.679 1.929 1.00 0.00 C ATOM 327 C ILE A 20 3.467 6.944 1.545 1.00 0.00 C ATOM 328 O ILE A 20 3.900 8.053 1.855 1.00 0.00 O ATOM 329 CB ILE A 20 3.826 5.270 3.369 1.00 0.00 C ATOM 330 CG1 ILE A 20 5.059 5.126 4.268 1.00 0.00 C ATOM 331 CG2 ILE A 20 3.035 3.973 3.348 1.00 0.00 C ATOM 332 CD1 ILE A 20 4.728 5.084 5.744 1.00 0.00 C ATOM 0 H ILE A 20 6.028 6.659 2.360 1.00 0.00 H new ATOM 0 HA ILE A 20 3.964 4.860 1.260 1.00 0.00 H new ATOM 0 HB ILE A 20 3.199 6.061 3.781 1.00 0.00 H new ATOM 0 HG12 ILE A 20 5.592 4.215 3.997 1.00 0.00 H new ATOM 0 HG13 ILE A 20 5.736 5.959 4.079 1.00 0.00 H new ATOM 0 HG21 ILE A 20 2.761 3.698 4.366 1.00 0.00 H new ATOM 0 HG22 ILE A 20 2.132 4.107 2.753 1.00 0.00 H new ATOM 0 HG23 ILE A 20 3.644 3.182 2.910 1.00 0.00 H new ATOM 0 HD11 ILE A 20 5.647 4.981 6.320 1.00 0.00 H new ATOM 0 HD12 ILE A 20 4.222 6.006 6.030 1.00 0.00 H new ATOM 0 HD13 ILE A 20 4.076 4.234 5.947 1.00 0.00 H new ATOM 344 N THR A 21 2.336 6.777 0.872 1.00 0.00 N ATOM 345 CA THR A 21 1.532 7.919 0.456 1.00 0.00 C ATOM 346 C THR A 21 0.869 8.569 1.663 1.00 0.00 C ATOM 347 O THR A 21 -0.009 7.980 2.289 1.00 0.00 O ATOM 348 CB THR A 21 0.465 7.484 -0.551 1.00 0.00 C ATOM 349 OG1 THR A 21 -0.646 6.907 0.111 1.00 0.00 O ATOM 350 CG2 THR A 21 0.970 6.477 -1.563 1.00 0.00 C ATOM 0 H THR A 21 1.957 5.869 0.604 1.00 0.00 H new ATOM 0 HA THR A 21 2.190 8.646 -0.020 1.00 0.00 H new ATOM 0 HB THR A 21 0.181 8.394 -1.079 1.00 0.00 H new ATOM 0 HG1 THR A 21 -0.785 7.357 0.970 1.00 0.00 H new ATOM 0 HG21 THR A 21 0.163 6.212 -2.246 1.00 0.00 H new ATOM 0 HG22 THR A 21 1.795 6.911 -2.127 1.00 0.00 H new ATOM 0 HG23 THR A 21 1.315 5.582 -1.045 1.00 0.00 H new ATOM 358 N ARG A 22 1.300 9.784 1.993 1.00 0.00 N ATOM 359 CA ARG A 22 0.746 10.504 3.134 1.00 0.00 C ATOM 360 C ARG A 22 0.514 11.973 2.805 1.00 0.00 C ATOM 361 O ARG A 22 1.405 12.660 2.306 1.00 0.00 O ATOM 362 CB ARG A 22 1.680 10.382 4.341 1.00 0.00 C ATOM 363 CG ARG A 22 3.093 10.871 4.069 1.00 0.00 C ATOM 364 CD ARG A 22 3.643 11.666 5.244 1.00 0.00 C ATOM 365 NE ARG A 22 5.091 11.518 5.375 1.00 0.00 N ATOM 366 CZ ARG A 22 5.769 11.815 6.481 1.00 0.00 C ATOM 367 NH1 ARG A 22 5.136 12.273 7.553 1.00 0.00 N ATOM 368 NH2 ARG A 22 7.084 11.651 6.516 1.00 0.00 N ATOM 0 H ARG A 22 2.029 10.288 1.488 1.00 0.00 H new ATOM 0 HA ARG A 22 -0.217 10.054 3.375 1.00 0.00 H new ATOM 0 HB2 ARG A 22 1.262 10.950 5.172 1.00 0.00 H new ATOM 0 HB3 ARG A 22 1.720 9.339 4.655 1.00 0.00 H new ATOM 0 HG2 ARG A 22 3.742 10.018 3.869 1.00 0.00 H new ATOM 0 HG3 ARG A 22 3.098 11.492 3.173 1.00 0.00 H new ATOM 0 HD2 ARG A 22 3.396 12.720 5.116 1.00 0.00 H new ATOM 0 HD3 ARG A 22 3.160 11.335 6.163 1.00 0.00 H new ATOM 0 HE ARG A 22 5.612 11.167 4.572 1.00 0.00 H new ATOM 0 HH11 ARG A 22 4.124 12.399 7.533 1.00 0.00 H new ATOM 0 HH12 ARG A 22 5.661 12.499 8.398 1.00 0.00 H new ATOM 0 HH21 ARG A 22 7.576 11.297 5.695 1.00 0.00 H new ATOM 0 HH22 ARG A 22 7.604 11.879 7.364 1.00 0.00 H new ATOM 493 N ASN A 31 -5.220 12.593 5.873 1.00 0.00 N ATOM 494 CA ASN A 31 -5.580 11.286 6.410 1.00 0.00 C ATOM 495 C ASN A 31 -5.479 10.204 5.338 1.00 0.00 C ATOM 496 O ASN A 31 -6.224 9.224 5.360 1.00 0.00 O ATOM 497 CB ASN A 31 -6.999 11.322 6.983 1.00 0.00 C ATOM 498 CG ASN A 31 -7.122 10.533 8.272 1.00 0.00 C ATOM 499 OD1 ASN A 31 -7.344 9.323 8.254 1.00 0.00 O ATOM 500 ND2 ASN A 31 -6.977 11.218 9.401 1.00 0.00 N ATOM 0 HA ASN A 31 -4.877 11.044 7.207 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -7.288 12.357 7.165 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -7.696 10.921 6.247 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -7.049 10.741 10.300 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -6.794 12.221 9.369 1.00 0.00 H new ATOM 507 N LYS A 32 -4.556 10.389 4.400 1.00 0.00 N ATOM 508 CA LYS A 32 -4.361 9.428 3.318 1.00 0.00 C ATOM 509 C LYS A 32 -3.023 8.715 3.448 1.00 0.00 C ATOM 510 O LYS A 32 -2.451 8.257 2.459 1.00 0.00 O ATOM 511 CB LYS A 32 -4.460 10.122 1.959 1.00 0.00 C ATOM 512 CG LYS A 32 -5.195 9.303 0.910 1.00 0.00 C ATOM 513 CD LYS A 32 -6.638 9.758 0.757 1.00 0.00 C ATOM 514 CE LYS A 32 -6.797 10.725 -0.404 1.00 0.00 C ATOM 515 NZ LYS A 32 -8.107 10.555 -1.092 1.00 0.00 N ATOM 0 H LYS A 32 -3.931 11.195 4.366 1.00 0.00 H new ATOM 0 HA LYS A 32 -5.152 8.681 3.390 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -4.969 11.077 2.084 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -3.455 10.341 1.598 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -4.681 9.391 -0.047 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -5.172 8.249 1.188 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -7.279 8.891 0.600 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -6.969 10.237 1.679 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -6.709 11.748 -0.039 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -5.989 10.570 -1.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -8.177 11.233 -1.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -8.181 9.586 -1.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -8.879 10.727 -0.417 1.00 0.00 H new ATOM 529 N LEU A 33 -2.535 8.631 4.675 1.00 0.00 N ATOM 530 CA LEU A 33 -1.262 7.977 4.959 1.00 0.00 C ATOM 531 C LEU A 33 -1.336 6.479 4.663 1.00 0.00 C ATOM 532 O LEU A 33 -1.314 5.654 5.576 1.00 0.00 O ATOM 533 CB LEU A 33 -0.868 8.205 6.419 1.00 0.00 C ATOM 534 CG LEU A 33 0.578 7.852 6.769 1.00 0.00 C ATOM 535 CD1 LEU A 33 1.134 8.825 7.798 1.00 0.00 C ATOM 536 CD2 LEU A 33 0.670 6.423 7.283 1.00 0.00 C ATOM 0 H LEU A 33 -3.003 9.010 5.498 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.503 8.415 4.311 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.038 9.253 6.664 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.532 7.617 7.053 1.00 0.00 H new ATOM 0 HG LEU A 33 1.178 7.931 5.862 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.164 8.556 8.033 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.106 9.837 7.394 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.531 8.780 8.705 1.00 0.00 H new ATOM 0 HD21 LEU A 33 1.707 6.190 7.527 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.054 6.317 8.176 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.315 5.736 6.515 1.00 0.00 H new ATOM 548 N GLU A 34 -1.425 6.134 3.381 1.00 0.00 N ATOM 549 CA GLU A 34 -1.505 4.736 2.970 1.00 0.00 C ATOM 550 C GLU A 34 -0.335 4.358 2.064 1.00 0.00 C ATOM 551 O GLU A 34 0.646 5.094 1.960 1.00 0.00 O ATOM 552 CB GLU A 34 -2.831 4.469 2.254 1.00 0.00 C ATOM 553 CG GLU A 34 -3.457 3.130 2.611 1.00 0.00 C ATOM 554 CD GLU A 34 -3.960 2.378 1.395 1.00 0.00 C ATOM 555 OE1 GLU A 34 -3.347 2.517 0.315 1.00 0.00 O ATOM 556 OE2 GLU A 34 -4.966 1.648 1.522 1.00 0.00 O ATOM 0 H GLU A 34 -1.443 6.802 2.611 1.00 0.00 H new ATOM 0 HA GLU A 34 -1.453 4.119 3.867 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -3.533 5.266 2.499 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -2.667 4.508 1.177 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -2.722 2.518 3.134 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -4.285 3.293 3.301 1.00 0.00 H new ATOM 563 N PHE A 35 -0.444 3.200 1.416 1.00 0.00 N ATOM 564 CA PHE A 35 0.608 2.717 0.526 1.00 0.00 C ATOM 565 C PHE A 35 0.098 2.547 -0.907 1.00 0.00 C ATOM 566 O PHE A 35 -1.104 2.606 -1.164 1.00 0.00 O ATOM 567 CB PHE A 35 1.182 1.386 1.027 1.00 0.00 C ATOM 568 CG PHE A 35 1.013 1.151 2.502 1.00 0.00 C ATOM 569 CD1 PHE A 35 -0.238 0.907 3.045 1.00 0.00 C ATOM 570 CD2 PHE A 35 2.112 1.169 3.343 1.00 0.00 C ATOM 571 CE1 PHE A 35 -0.388 0.688 4.401 1.00 0.00 C ATOM 572 CE2 PHE A 35 1.970 0.951 4.698 1.00 0.00 C ATOM 573 CZ PHE A 35 0.718 0.710 5.228 1.00 0.00 C ATOM 0 H PHE A 35 -1.250 2.579 1.491 1.00 0.00 H new ATOM 0 HA PHE A 35 1.397 3.469 0.526 1.00 0.00 H new ATOM 0 HB2 PHE A 35 0.703 0.571 0.485 1.00 0.00 H new ATOM 0 HB3 PHE A 35 2.244 1.349 0.785 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -1.105 0.888 2.402 1.00 0.00 H new ATOM 0 HD2 PHE A 35 3.094 1.356 2.933 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -1.368 0.500 4.813 1.00 0.00 H new ATOM 0 HE2 PHE A 35 2.836 0.969 5.343 1.00 0.00 H new ATOM 0 HZ PHE A 35 0.604 0.539 6.288 1.00 0.00 H new ATOM 583 N PRO A 36 1.026 2.338 -1.859 1.00 0.00 N ATOM 584 CA PRO A 36 0.705 2.161 -3.280 1.00 0.00 C ATOM 585 C PRO A 36 0.197 0.760 -3.619 1.00 0.00 C ATOM 586 O PRO A 36 0.307 -0.168 -2.822 1.00 0.00 O ATOM 587 CB PRO A 36 2.041 2.421 -3.972 1.00 0.00 C ATOM 588 CG PRO A 36 3.066 1.991 -2.982 1.00 0.00 C ATOM 589 CD PRO A 36 2.484 2.262 -1.620 1.00 0.00 C ATOM 0 HA PRO A 36 -0.102 2.824 -3.591 1.00 0.00 H new ATOM 0 HB2 PRO A 36 2.124 1.855 -4.900 1.00 0.00 H new ATOM 0 HB3 PRO A 36 2.156 3.474 -4.230 1.00 0.00 H new ATOM 0 HG2 PRO A 36 3.300 0.933 -3.100 1.00 0.00 H new ATOM 0 HG3 PRO A 36 3.996 2.541 -3.123 1.00 0.00 H new ATOM 0 HD2 PRO A 36 2.732 1.468 -0.916 1.00 0.00 H new ATOM 0 HD3 PRO A 36 2.868 3.192 -1.200 1.00 0.00 H new ATOM 597 N GLY A 37 -0.343 0.626 -4.825 1.00 0.00 N ATOM 598 CA GLY A 37 -0.865 -0.650 -5.297 1.00 0.00 C ATOM 599 C GLY A 37 -2.383 -0.764 -5.262 1.00 0.00 C ATOM 600 O GLY A 37 -2.940 -1.758 -5.713 1.00 0.00 O ATOM 0 H GLY A 37 -0.431 1.389 -5.496 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -0.525 -0.811 -6.320 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -0.439 -1.449 -4.690 1.00 0.00 H new ATOM 604 N GLY A 38 -3.052 0.253 -4.748 1.00 0.00 N ATOM 605 CA GLY A 38 -4.504 0.244 -4.683 1.00 0.00 C ATOM 606 C GLY A 38 -5.176 0.161 -6.048 1.00 0.00 C ATOM 607 O GLY A 38 -4.576 0.518 -7.070 1.00 0.00 O ATOM 0 H GLY A 38 -2.615 1.094 -4.370 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -4.827 -0.602 -4.077 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -4.842 1.147 -4.175 1.00 0.00 H new ATOM 611 N LYS A 39 -6.436 -0.301 -6.052 1.00 0.00 N ATOM 612 CA LYS A 39 -7.238 -0.430 -7.268 1.00 0.00 C ATOM 613 C LYS A 39 -7.041 -1.778 -7.955 1.00 0.00 C ATOM 614 O LYS A 39 -7.654 -2.046 -8.988 1.00 0.00 O ATOM 615 CB LYS A 39 -6.949 0.696 -8.255 1.00 0.00 C ATOM 616 CG LYS A 39 -7.944 0.742 -9.394 1.00 0.00 C ATOM 617 CD LYS A 39 -8.663 2.083 -9.458 1.00 0.00 C ATOM 618 CE LYS A 39 -9.732 2.194 -8.380 1.00 0.00 C ATOM 619 NZ LYS A 39 -9.145 2.418 -7.026 1.00 0.00 N ATOM 0 H LYS A 39 -6.925 -0.595 -5.206 1.00 0.00 H new ATOM 0 HA LYS A 39 -8.278 -0.362 -6.949 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -6.963 1.649 -7.727 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -5.945 0.570 -8.660 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -7.427 0.560 -10.336 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -8.675 -0.058 -9.272 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -7.940 2.891 -9.340 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -9.120 2.205 -10.440 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -10.406 3.015 -8.622 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -10.330 1.283 -8.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -9.802 2.984 -6.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -8.982 1.501 -6.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -8.242 2.925 -7.119 1.00 0.00 H new ATOM 633 N ILE A 40 -6.204 -2.633 -7.380 1.00 0.00 N ATOM 634 CA ILE A 40 -5.963 -3.957 -7.951 1.00 0.00 C ATOM 635 C ILE A 40 -7.279 -4.656 -8.250 1.00 0.00 C ATOM 636 O ILE A 40 -7.381 -5.477 -9.162 1.00 0.00 O ATOM 637 CB ILE A 40 -5.113 -4.837 -7.011 1.00 0.00 C ATOM 638 CG1 ILE A 40 -5.965 -5.397 -5.859 1.00 0.00 C ATOM 639 CG2 ILE A 40 -3.938 -4.029 -6.476 1.00 0.00 C ATOM 640 CD1 ILE A 40 -5.781 -6.882 -5.629 1.00 0.00 C ATOM 0 H ILE A 40 -5.683 -2.438 -6.525 1.00 0.00 H new ATOM 0 HA ILE A 40 -5.409 -3.813 -8.879 1.00 0.00 H new ATOM 0 HB ILE A 40 -4.729 -5.686 -7.577 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -5.715 -4.863 -4.942 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -7.016 -5.199 -6.067 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -3.339 -4.653 -5.812 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -3.322 -3.689 -7.308 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -4.311 -3.166 -5.924 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -6.414 -7.203 -4.802 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -6.059 -7.427 -6.531 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -4.738 -7.086 -5.388 1.00 0.00 H new ATOM 652 N GLU A 41 -8.279 -4.305 -7.459 1.00 0.00 N ATOM 653 CA GLU A 41 -9.618 -4.855 -7.582 1.00 0.00 C ATOM 654 C GLU A 41 -10.037 -4.943 -9.042 1.00 0.00 C ATOM 655 O GLU A 41 -10.360 -6.023 -9.535 1.00 0.00 O ATOM 656 CB GLU A 41 -10.595 -3.975 -6.804 1.00 0.00 C ATOM 657 CG GLU A 41 -10.352 -2.480 -6.994 1.00 0.00 C ATOM 658 CD GLU A 41 -11.431 -1.813 -7.823 1.00 0.00 C ATOM 659 OE1 GLU A 41 -12.019 -2.493 -8.691 1.00 0.00 O ATOM 660 OE2 GLU A 41 -11.688 -0.611 -7.605 1.00 0.00 O ATOM 0 H GLU A 41 -8.183 -3.624 -6.706 1.00 0.00 H new ATOM 0 HA GLU A 41 -9.626 -5.864 -7.170 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -11.612 -4.212 -7.115 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -10.522 -4.215 -5.743 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -10.299 -1.998 -6.018 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -9.386 -2.331 -7.476 1.00 0.00 H new ATOM 667 N MET A 42 -10.014 -3.792 -9.719 1.00 0.00 N ATOM 668 CA MET A 42 -10.371 -3.688 -11.141 1.00 0.00 C ATOM 669 C MET A 42 -10.865 -5.013 -11.720 1.00 0.00 C ATOM 670 O MET A 42 -12.067 -5.223 -11.883 1.00 0.00 O ATOM 671 CB MET A 42 -9.164 -3.197 -11.943 1.00 0.00 C ATOM 672 CG MET A 42 -8.785 -1.755 -11.650 1.00 0.00 C ATOM 673 SD MET A 42 -9.579 -0.586 -12.771 1.00 0.00 S ATOM 674 CE MET A 42 -11.059 -0.183 -11.846 1.00 0.00 C ATOM 0 H MET A 42 -9.747 -2.902 -9.298 1.00 0.00 H new ATOM 0 HA MET A 42 -11.191 -2.974 -11.216 1.00 0.00 H new ATOM 0 HB2 MET A 42 -8.310 -3.839 -11.728 1.00 0.00 H new ATOM 0 HB3 MET A 42 -9.379 -3.298 -13.007 1.00 0.00 H new ATOM 0 HG2 MET A 42 -9.060 -1.512 -10.624 1.00 0.00 H new ATOM 0 HG3 MET A 42 -7.703 -1.646 -11.724 1.00 0.00 H new ATOM 0 HE1 MET A 42 -11.409 0.808 -12.134 1.00 0.00 H new ATOM 0 HE2 MET A 42 -11.834 -0.919 -12.061 1.00 0.00 H new ATOM 0 HE3 MET A 42 -10.835 -0.193 -10.779 1.00 0.00 H new ATOM 684 N GLY A 43 -9.925 -5.905 -12.024 1.00 0.00 N ATOM 685 CA GLY A 43 -10.282 -7.197 -12.579 1.00 0.00 C ATOM 686 C GLY A 43 -9.076 -8.044 -12.913 1.00 0.00 C ATOM 687 O GLY A 43 -9.082 -8.797 -13.886 1.00 0.00 O ATOM 0 H GLY A 43 -8.924 -5.755 -11.896 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -10.910 -7.732 -11.867 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -10.877 -7.048 -13.480 1.00 0.00 H new ATOM 691 N GLU A 44 -8.041 -7.914 -12.105 1.00 0.00 N ATOM 692 CA GLU A 44 -6.809 -8.667 -12.311 1.00 0.00 C ATOM 693 C GLU A 44 -6.858 -10.009 -11.583 1.00 0.00 C ATOM 694 O GLU A 44 -7.886 -10.380 -11.017 1.00 0.00 O ATOM 695 CB GLU A 44 -5.605 -7.854 -11.833 1.00 0.00 C ATOM 696 CG GLU A 44 -4.912 -7.085 -12.945 1.00 0.00 C ATOM 697 CD GLU A 44 -5.375 -5.643 -13.033 1.00 0.00 C ATOM 698 OE1 GLU A 44 -5.110 -4.875 -12.084 1.00 0.00 O ATOM 699 OE2 GLU A 44 -6.002 -5.282 -14.051 1.00 0.00 O ATOM 0 H GLU A 44 -8.025 -7.293 -11.296 1.00 0.00 H new ATOM 0 HA GLU A 44 -6.706 -8.861 -13.379 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -5.932 -7.152 -11.066 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -4.886 -8.526 -11.364 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -3.835 -7.107 -12.781 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -5.100 -7.582 -13.897 1.00 0.00 H new ATOM 706 N THR A 45 -5.741 -10.731 -11.600 1.00 0.00 N ATOM 707 CA THR A 45 -5.657 -12.027 -10.939 1.00 0.00 C ATOM 708 C THR A 45 -5.030 -11.875 -9.557 1.00 0.00 C ATOM 709 O THR A 45 -4.254 -10.952 -9.323 1.00 0.00 O ATOM 710 CB THR A 45 -4.832 -13.001 -11.788 1.00 0.00 C ATOM 711 OG1 THR A 45 -4.526 -12.436 -13.050 1.00 0.00 O ATOM 712 CG2 THR A 45 -5.530 -14.320 -12.037 1.00 0.00 C ATOM 0 H THR A 45 -4.881 -10.439 -12.065 1.00 0.00 H new ATOM 0 HA THR A 45 -6.665 -12.427 -10.825 1.00 0.00 H new ATOM 0 HB THR A 45 -3.928 -13.189 -11.209 1.00 0.00 H new ATOM 0 HG1 THR A 45 -3.998 -13.074 -13.574 1.00 0.00 H new ATOM 0 HG21 THR A 45 -4.891 -14.961 -12.644 1.00 0.00 H new ATOM 0 HG22 THR A 45 -5.735 -14.809 -11.084 1.00 0.00 H new ATOM 0 HG23 THR A 45 -6.468 -14.142 -12.562 1.00 0.00 H new ATOM 720 N PRO A 46 -5.349 -12.783 -8.618 1.00 0.00 N ATOM 721 CA PRO A 46 -4.807 -12.743 -7.259 1.00 0.00 C ATOM 722 C PRO A 46 -3.309 -12.448 -7.237 1.00 0.00 C ATOM 723 O PRO A 46 -2.785 -11.932 -6.250 1.00 0.00 O ATOM 724 CB PRO A 46 -5.090 -14.154 -6.712 1.00 0.00 C ATOM 725 CG PRO A 46 -5.670 -14.932 -7.851 1.00 0.00 C ATOM 726 CD PRO A 46 -6.255 -13.921 -8.792 1.00 0.00 C ATOM 0 HA PRO A 46 -5.259 -11.948 -6.667 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -4.175 -14.621 -6.347 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -5.785 -14.115 -5.873 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -4.903 -15.527 -8.347 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -6.434 -15.625 -7.500 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -6.266 -14.280 -9.821 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -7.283 -13.668 -8.532 1.00 0.00 H new ATOM 734 N GLU A 47 -2.624 -12.778 -8.329 1.00 0.00 N ATOM 735 CA GLU A 47 -1.189 -12.544 -8.427 1.00 0.00 C ATOM 736 C GLU A 47 -0.879 -11.336 -9.312 1.00 0.00 C ATOM 737 O GLU A 47 0.012 -10.546 -9.003 1.00 0.00 O ATOM 738 CB GLU A 47 -0.488 -13.789 -8.979 1.00 0.00 C ATOM 739 CG GLU A 47 0.260 -14.584 -7.921 1.00 0.00 C ATOM 740 CD GLU A 47 1.758 -14.362 -7.977 1.00 0.00 C ATOM 741 OE1 GLU A 47 2.190 -13.193 -7.880 1.00 0.00 O ATOM 742 OE2 GLU A 47 2.502 -15.356 -8.117 1.00 0.00 O ATOM 0 H GLU A 47 -3.040 -13.207 -9.156 1.00 0.00 H new ATOM 0 HA GLU A 47 -0.816 -12.333 -7.425 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.229 -14.434 -9.450 1.00 0.00 H new ATOM 0 HB3 GLU A 47 0.212 -13.487 -9.757 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -0.108 -14.305 -6.934 1.00 0.00 H new ATOM 0 HG3 GLU A 47 0.048 -15.645 -8.052 1.00 0.00 H new ATOM 749 N GLN A 48 -1.613 -11.200 -10.415 1.00 0.00 N ATOM 750 CA GLN A 48 -1.402 -10.089 -11.339 1.00 0.00 C ATOM 751 C GLN A 48 -2.072 -8.807 -10.847 1.00 0.00 C ATOM 752 O GLN A 48 -1.923 -7.752 -11.459 1.00 0.00 O ATOM 753 CB GLN A 48 -1.930 -10.452 -12.728 1.00 0.00 C ATOM 754 CG GLN A 48 -0.918 -11.188 -13.591 1.00 0.00 C ATOM 755 CD GLN A 48 -0.123 -10.253 -14.482 1.00 0.00 C ATOM 756 OE1 GLN A 48 -0.423 -10.102 -15.666 1.00 0.00 O ATOM 757 NE2 GLN A 48 0.899 -9.622 -13.916 1.00 0.00 N ATOM 0 H GLN A 48 -2.356 -11.843 -10.689 1.00 0.00 H new ATOM 0 HA GLN A 48 -0.329 -9.905 -11.393 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -2.820 -11.071 -12.619 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -2.237 -9.540 -13.240 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -0.233 -11.742 -12.949 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -1.437 -11.920 -14.210 1.00 0.00 H new ATOM 0 HE21 GLN A 48 1.112 -9.777 -12.931 1.00 0.00 H new ATOM 0 HE22 GLN A 48 1.471 -8.982 -14.467 1.00 0.00 H new ATOM 766 N ALA A 49 -2.810 -8.900 -9.747 1.00 0.00 N ATOM 767 CA ALA A 49 -3.496 -7.741 -9.193 1.00 0.00 C ATOM 768 C ALA A 49 -2.500 -6.668 -8.780 1.00 0.00 C ATOM 769 O ALA A 49 -2.570 -5.530 -9.245 1.00 0.00 O ATOM 770 CB ALA A 49 -4.352 -8.153 -8.007 1.00 0.00 C ATOM 0 H ALA A 49 -2.948 -9.764 -9.223 1.00 0.00 H new ATOM 0 HA ALA A 49 -4.143 -7.325 -9.965 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -4.859 -7.277 -7.603 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -5.093 -8.884 -8.330 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -3.719 -8.593 -7.237 1.00 0.00 H new ATOM 776 N VAL A 50 -1.572 -7.035 -7.906 1.00 0.00 N ATOM 777 CA VAL A 50 -0.560 -6.094 -7.435 1.00 0.00 C ATOM 778 C VAL A 50 0.545 -5.917 -8.472 1.00 0.00 C ATOM 779 O VAL A 50 0.965 -4.800 -8.757 1.00 0.00 O ATOM 780 CB VAL A 50 0.063 -6.518 -6.074 1.00 0.00 C ATOM 781 CG1 VAL A 50 -0.862 -7.448 -5.303 1.00 0.00 C ATOM 782 CG2 VAL A 50 1.431 -7.167 -6.263 1.00 0.00 C ATOM 0 H VAL A 50 -1.498 -7.972 -7.510 1.00 0.00 H new ATOM 0 HA VAL A 50 -1.072 -5.144 -7.284 1.00 0.00 H new ATOM 0 HB VAL A 50 0.196 -5.608 -5.488 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.395 -7.724 -4.358 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -1.807 -6.941 -5.107 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -1.048 -8.346 -5.892 1.00 0.00 H new ATOM 0 HG21 VAL A 50 1.837 -7.451 -5.292 1.00 0.00 H new ATOM 0 HG22 VAL A 50 1.329 -8.055 -6.887 1.00 0.00 H new ATOM 0 HG23 VAL A 50 2.106 -6.460 -6.745 1.00 0.00 H new ATOM 792 N VAL A 51 1.017 -7.032 -9.023 1.00 0.00 N ATOM 793 CA VAL A 51 2.085 -7.004 -10.017 1.00 0.00 C ATOM 794 C VAL A 51 1.745 -6.065 -11.165 1.00 0.00 C ATOM 795 O VAL A 51 2.607 -5.342 -11.662 1.00 0.00 O ATOM 796 CB VAL A 51 2.371 -8.411 -10.580 1.00 0.00 C ATOM 797 CG1 VAL A 51 3.548 -8.376 -11.543 1.00 0.00 C ATOM 798 CG2 VAL A 51 2.629 -9.396 -9.450 1.00 0.00 C ATOM 0 H VAL A 51 0.676 -7.967 -8.798 1.00 0.00 H new ATOM 0 HA VAL A 51 2.978 -6.639 -9.509 1.00 0.00 H new ATOM 0 HB VAL A 51 1.492 -8.745 -11.131 1.00 0.00 H new ATOM 0 HG11 VAL A 51 3.733 -9.379 -11.928 1.00 0.00 H new ATOM 0 HG12 VAL A 51 3.321 -7.705 -12.371 1.00 0.00 H new ATOM 0 HG13 VAL A 51 4.435 -8.019 -11.020 1.00 0.00 H new ATOM 0 HG21 VAL A 51 2.829 -10.383 -9.866 1.00 0.00 H new ATOM 0 HG22 VAL A 51 3.490 -9.066 -8.869 1.00 0.00 H new ATOM 0 HG23 VAL A 51 1.753 -9.446 -8.803 1.00 0.00 H new ATOM 808 N ARG A 52 0.485 -6.076 -11.581 1.00 0.00 N ATOM 809 CA ARG A 52 0.050 -5.216 -12.670 1.00 0.00 C ATOM 810 C ARG A 52 -0.146 -3.790 -12.176 1.00 0.00 C ATOM 811 O ARG A 52 0.348 -2.838 -12.780 1.00 0.00 O ATOM 812 CB ARG A 52 -1.244 -5.741 -13.295 1.00 0.00 C ATOM 813 CG ARG A 52 -1.089 -7.092 -13.973 1.00 0.00 C ATOM 814 CD ARG A 52 -0.824 -6.941 -15.462 1.00 0.00 C ATOM 815 NE ARG A 52 0.489 -6.359 -15.728 1.00 0.00 N ATOM 816 CZ ARG A 52 0.832 -5.800 -16.886 1.00 0.00 C ATOM 817 NH1 ARG A 52 -0.037 -5.748 -17.889 1.00 0.00 N ATOM 818 NH2 ARG A 52 2.047 -5.294 -17.045 1.00 0.00 N ATOM 0 H ARG A 52 -0.247 -6.666 -11.184 1.00 0.00 H new ATOM 0 HA ARG A 52 0.827 -5.219 -13.435 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -2.006 -5.818 -12.520 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -1.605 -5.017 -14.025 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -0.269 -7.640 -13.510 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -1.993 -7.682 -13.821 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -0.892 -7.917 -15.943 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -1.596 -6.312 -15.906 1.00 0.00 H new ATOM 0 HE ARG A 52 1.184 -6.382 -14.982 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -0.973 -6.138 -17.774 1.00 0.00 H new ATOM 0 HH12 ARG A 52 0.231 -5.318 -18.774 1.00 0.00 H new ATOM 0 HH21 ARG A 52 2.720 -5.333 -16.279 1.00 0.00 H new ATOM 0 HH22 ARG A 52 2.309 -4.866 -17.933 1.00 0.00 H new ATOM 832 N GLU A 53 -0.862 -3.649 -11.066 1.00 0.00 N ATOM 833 CA GLU A 53 -1.112 -2.339 -10.485 1.00 0.00 C ATOM 834 C GLU A 53 0.191 -1.705 -10.011 1.00 0.00 C ATOM 835 O GLU A 53 0.270 -0.491 -9.834 1.00 0.00 O ATOM 836 CB GLU A 53 -2.093 -2.449 -9.318 1.00 0.00 C ATOM 837 CG GLU A 53 -3.551 -2.509 -9.745 1.00 0.00 C ATOM 838 CD GLU A 53 -3.952 -1.360 -10.649 1.00 0.00 C ATOM 839 OE1 GLU A 53 -3.613 -1.399 -11.850 1.00 0.00 O ATOM 840 OE2 GLU A 53 -4.612 -0.422 -10.155 1.00 0.00 O ATOM 0 H GLU A 53 -1.278 -4.426 -10.552 1.00 0.00 H new ATOM 0 HA GLU A 53 -1.551 -1.704 -11.255 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -1.856 -3.342 -8.740 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.953 -1.594 -8.656 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.734 -3.451 -10.262 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -4.184 -2.504 -8.858 1.00 0.00 H new ATOM 847 N LEU A 54 1.214 -2.532 -9.806 1.00 0.00 N ATOM 848 CA LEU A 54 2.508 -2.042 -9.354 1.00 0.00 C ATOM 849 C LEU A 54 3.077 -1.046 -10.353 1.00 0.00 C ATOM 850 O LEU A 54 3.573 0.013 -9.976 1.00 0.00 O ATOM 851 CB LEU A 54 3.481 -3.203 -9.159 1.00 0.00 C ATOM 852 CG LEU A 54 4.148 -3.255 -7.788 1.00 0.00 C ATOM 853 CD1 LEU A 54 3.126 -3.556 -6.701 1.00 0.00 C ATOM 854 CD2 LEU A 54 5.261 -4.285 -7.785 1.00 0.00 C ATOM 0 H LEU A 54 1.169 -3.541 -9.946 1.00 0.00 H new ATOM 0 HA LEU A 54 2.369 -1.538 -8.397 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.946 -4.138 -9.323 1.00 0.00 H new ATOM 0 HB3 LEU A 54 4.256 -3.141 -9.923 1.00 0.00 H new ATOM 0 HG LEU A 54 4.582 -2.278 -7.576 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.624 -3.588 -5.732 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.364 -2.776 -6.692 1.00 0.00 H new ATOM 0 HD13 LEU A 54 2.656 -4.519 -6.900 1.00 0.00 H new ATOM 0 HD21 LEU A 54 5.729 -4.312 -6.801 1.00 0.00 H new ATOM 0 HD22 LEU A 54 4.849 -5.267 -8.018 1.00 0.00 H new ATOM 0 HD23 LEU A 54 6.006 -4.017 -8.534 1.00 0.00 H new ATOM 866 N GLN A 55 2.984 -1.384 -11.633 1.00 0.00 N ATOM 867 CA GLN A 55 3.472 -0.502 -12.682 1.00 0.00 C ATOM 868 C GLN A 55 2.645 0.777 -12.692 1.00 0.00 C ATOM 869 O GLN A 55 3.156 1.865 -12.955 1.00 0.00 O ATOM 870 CB GLN A 55 3.392 -1.196 -14.044 1.00 0.00 C ATOM 871 CG GLN A 55 3.845 -0.322 -15.202 1.00 0.00 C ATOM 872 CD GLN A 55 3.836 -1.059 -16.526 1.00 0.00 C ATOM 873 OE1 GLN A 55 3.218 -0.614 -17.494 1.00 0.00 O ATOM 874 NE2 GLN A 55 4.525 -2.194 -16.577 1.00 0.00 N ATOM 0 H GLN A 55 2.577 -2.258 -11.967 1.00 0.00 H new ATOM 0 HA GLN A 55 4.515 -0.255 -12.485 1.00 0.00 H new ATOM 0 HB2 GLN A 55 4.004 -2.097 -14.019 1.00 0.00 H new ATOM 0 HB3 GLN A 55 2.364 -1.514 -14.220 1.00 0.00 H new ATOM 0 HG2 GLN A 55 3.194 0.550 -15.271 1.00 0.00 H new ATOM 0 HG3 GLN A 55 4.851 0.047 -15.002 1.00 0.00 H new ATOM 0 HE21 GLN A 55 5.023 -2.526 -15.751 1.00 0.00 H new ATOM 0 HE22 GLN A 55 4.556 -2.733 -17.442 1.00 0.00 H new ATOM 883 N GLU A 56 1.361 0.625 -12.387 1.00 0.00 N ATOM 884 CA GLU A 56 0.438 1.750 -12.338 1.00 0.00 C ATOM 885 C GLU A 56 0.617 2.549 -11.057 1.00 0.00 C ATOM 886 O GLU A 56 0.309 3.736 -11.015 1.00 0.00 O ATOM 887 CB GLU A 56 -1.006 1.251 -12.416 1.00 0.00 C ATOM 888 CG GLU A 56 -1.962 2.229 -13.082 1.00 0.00 C ATOM 889 CD GLU A 56 -2.952 2.843 -12.106 1.00 0.00 C ATOM 890 OE1 GLU A 56 -3.483 2.106 -11.246 1.00 0.00 O ATOM 891 OE2 GLU A 56 -3.197 4.065 -12.202 1.00 0.00 O ATOM 0 H GLU A 56 0.934 -0.275 -12.168 1.00 0.00 H new ATOM 0 HA GLU A 56 0.654 2.395 -13.190 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -1.025 0.309 -12.964 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -1.362 1.040 -11.408 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -1.388 3.024 -13.558 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -2.509 1.714 -13.872 1.00 0.00 H new ATOM 898 N GLU A 57 1.083 1.884 -10.000 1.00 0.00 N ATOM 899 CA GLU A 57 1.260 2.543 -8.713 1.00 0.00 C ATOM 900 C GLU A 57 2.733 2.756 -8.362 1.00 0.00 C ATOM 901 O GLU A 57 3.053 3.227 -7.270 1.00 0.00 O ATOM 902 CB GLU A 57 0.574 1.730 -7.618 1.00 0.00 C ATOM 903 CG GLU A 57 -0.940 1.883 -7.605 1.00 0.00 C ATOM 904 CD GLU A 57 -1.561 1.685 -8.970 1.00 0.00 C ATOM 905 OE1 GLU A 57 -1.903 0.532 -9.302 1.00 0.00 O ATOM 906 OE2 GLU A 57 -1.708 2.684 -9.702 1.00 0.00 O ATOM 0 H GLU A 57 1.342 0.897 -10.012 1.00 0.00 H new ATOM 0 HA GLU A 57 0.802 3.529 -8.787 1.00 0.00 H new ATOM 0 HB2 GLU A 57 0.823 0.677 -7.748 1.00 0.00 H new ATOM 0 HB3 GLU A 57 0.970 2.034 -6.649 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -1.367 1.162 -6.908 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -1.197 2.875 -7.234 1.00 0.00 H new ATOM 913 N VAL A 58 3.624 2.429 -9.291 1.00 0.00 N ATOM 914 CA VAL A 58 5.052 2.607 -9.073 1.00 0.00 C ATOM 915 C VAL A 58 5.689 3.243 -10.294 1.00 0.00 C ATOM 916 O VAL A 58 6.497 4.166 -10.184 1.00 0.00 O ATOM 917 CB VAL A 58 5.758 1.268 -8.774 1.00 0.00 C ATOM 918 CG1 VAL A 58 7.216 1.498 -8.412 1.00 0.00 C ATOM 919 CG2 VAL A 58 5.050 0.522 -7.659 1.00 0.00 C ATOM 0 H VAL A 58 3.381 2.039 -10.202 1.00 0.00 H new ATOM 0 HA VAL A 58 5.170 3.257 -8.206 1.00 0.00 H new ATOM 0 HB VAL A 58 5.717 0.658 -9.676 1.00 0.00 H new ATOM 0 HG11 VAL A 58 7.695 0.541 -8.205 1.00 0.00 H new ATOM 0 HG12 VAL A 58 7.725 1.986 -9.243 1.00 0.00 H new ATOM 0 HG13 VAL A 58 7.276 2.132 -7.528 1.00 0.00 H new ATOM 0 HG21 VAL A 58 5.566 -0.419 -7.466 1.00 0.00 H new ATOM 0 HG22 VAL A 58 5.054 1.130 -6.755 1.00 0.00 H new ATOM 0 HG23 VAL A 58 4.021 0.318 -7.954 1.00 0.00 H new ATOM 929 N GLY A 59 5.307 2.744 -11.465 1.00 0.00 N ATOM 930 CA GLY A 59 5.826 3.265 -12.712 1.00 0.00 C ATOM 931 C GLY A 59 7.283 2.934 -12.943 1.00 0.00 C ATOM 932 O GLY A 59 7.681 2.575 -14.051 1.00 0.00 O ATOM 0 H GLY A 59 4.640 1.980 -11.570 1.00 0.00 H new ATOM 0 HA2 GLY A 59 5.236 2.866 -13.537 1.00 0.00 H new ATOM 0 HA3 GLY A 59 5.701 4.348 -12.725 1.00 0.00 H new ATOM 936 N ILE A 60 8.072 3.057 -11.897 1.00 0.00 N ATOM 937 CA ILE A 60 9.493 2.775 -11.967 1.00 0.00 C ATOM 938 C ILE A 60 9.756 1.277 -11.949 1.00 0.00 C ATOM 939 O ILE A 60 8.827 0.470 -11.954 1.00 0.00 O ATOM 940 CB ILE A 60 10.284 3.425 -10.808 1.00 0.00 C ATOM 941 CG1 ILE A 60 9.422 3.645 -9.566 1.00 0.00 C ATOM 942 CG2 ILE A 60 10.916 4.733 -11.255 1.00 0.00 C ATOM 943 CD1 ILE A 60 10.183 3.431 -8.274 1.00 0.00 C ATOM 0 H ILE A 60 7.749 3.354 -10.976 1.00 0.00 H new ATOM 0 HA ILE A 60 9.836 3.205 -12.908 1.00 0.00 H new ATOM 0 HB ILE A 60 11.074 2.726 -10.532 1.00 0.00 H new ATOM 0 HG12 ILE A 60 9.022 4.659 -9.582 1.00 0.00 H new ATOM 0 HG13 ILE A 60 8.570 2.966 -9.597 1.00 0.00 H new ATOM 0 HG21 ILE A 60 11.467 5.173 -10.424 1.00 0.00 H new ATOM 0 HG22 ILE A 60 11.598 4.543 -12.083 1.00 0.00 H new ATOM 0 HG23 ILE A 60 10.136 5.422 -11.578 1.00 0.00 H new ATOM 0 HD11 ILE A 60 9.518 3.602 -7.427 1.00 0.00 H new ATOM 0 HD12 ILE A 60 10.560 2.409 -8.239 1.00 0.00 H new ATOM 0 HD13 ILE A 60 11.019 4.128 -8.225 1.00 0.00 H new ATOM 955 N THR A 61 11.034 0.917 -11.936 1.00 0.00 N ATOM 956 CA THR A 61 11.445 -0.465 -11.924 1.00 0.00 C ATOM 957 C THR A 61 12.123 -0.810 -10.602 1.00 0.00 C ATOM 958 O THR A 61 13.336 -0.655 -10.462 1.00 0.00 O ATOM 959 CB THR A 61 12.419 -0.674 -13.065 1.00 0.00 C ATOM 960 OG1 THR A 61 13.205 0.489 -13.265 1.00 0.00 O ATOM 961 CG2 THR A 61 11.740 -0.997 -14.376 1.00 0.00 C ATOM 0 H THR A 61 11.808 1.582 -11.934 1.00 0.00 H new ATOM 0 HA THR A 61 10.574 -1.110 -12.038 1.00 0.00 H new ATOM 0 HB THR A 61 13.034 -1.525 -12.773 1.00 0.00 H new ATOM 0 HG1 THR A 61 14.101 0.346 -12.895 1.00 0.00 H new ATOM 0 HG21 THR A 61 12.493 -1.135 -15.152 1.00 0.00 H new ATOM 0 HG22 THR A 61 11.158 -1.912 -14.269 1.00 0.00 H new ATOM 0 HG23 THR A 61 11.078 -0.177 -14.655 1.00 0.00 H new ATOM 969 N PRO A 62 11.348 -1.243 -9.596 1.00 0.00 N ATOM 970 CA PRO A 62 11.859 -1.562 -8.282 1.00 0.00 C ATOM 971 C PRO A 62 11.887 -3.050 -7.976 1.00 0.00 C ATOM 972 O PRO A 62 10.957 -3.774 -8.332 1.00 0.00 O ATOM 973 CB PRO A 62 10.780 -0.906 -7.433 1.00 0.00 C ATOM 974 CG PRO A 62 9.514 -1.246 -8.153 1.00 0.00 C ATOM 975 CD PRO A 62 9.885 -1.409 -9.613 1.00 0.00 C ATOM 0 HA PRO A 62 12.889 -1.239 -8.134 1.00 0.00 H new ATOM 0 HB2 PRO A 62 10.779 -1.294 -6.415 1.00 0.00 H new ATOM 0 HB3 PRO A 62 10.925 0.172 -7.363 1.00 0.00 H new ATOM 0 HG2 PRO A 62 9.077 -2.163 -7.758 1.00 0.00 H new ATOM 0 HG3 PRO A 62 8.771 -0.458 -8.026 1.00 0.00 H new ATOM 0 HD2 PRO A 62 9.593 -2.386 -9.998 1.00 0.00 H new ATOM 0 HD3 PRO A 62 9.400 -0.661 -10.240 1.00 0.00 H new ATOM 983 N GLN A 63 12.908 -3.500 -7.249 1.00 0.00 N ATOM 984 CA GLN A 63 12.948 -4.893 -6.844 1.00 0.00 C ATOM 985 C GLN A 63 11.927 -5.021 -5.735 1.00 0.00 C ATOM 986 O GLN A 63 12.245 -4.950 -4.548 1.00 0.00 O ATOM 987 CB GLN A 63 14.342 -5.298 -6.362 1.00 0.00 C ATOM 988 CG GLN A 63 15.461 -4.762 -7.235 1.00 0.00 C ATOM 989 CD GLN A 63 16.834 -5.010 -6.642 1.00 0.00 C ATOM 990 OE1 GLN A 63 17.127 -4.585 -5.525 1.00 0.00 O ATOM 991 NE2 GLN A 63 17.687 -5.701 -7.391 1.00 0.00 N ATOM 0 H GLN A 63 13.697 -2.933 -6.938 1.00 0.00 H new ATOM 0 HA GLN A 63 12.721 -5.556 -7.679 1.00 0.00 H new ATOM 0 HB2 GLN A 63 14.484 -4.940 -5.342 1.00 0.00 H new ATOM 0 HB3 GLN A 63 14.405 -6.386 -6.330 1.00 0.00 H new ATOM 0 HG2 GLN A 63 15.405 -5.229 -8.218 1.00 0.00 H new ATOM 0 HG3 GLN A 63 15.321 -3.691 -7.382 1.00 0.00 H new ATOM 0 HE21 GLN A 63 17.403 -6.035 -8.312 1.00 0.00 H new ATOM 0 HE22 GLN A 63 18.626 -5.898 -7.045 1.00 0.00 H new ATOM 1000 N HIS A 64 10.681 -5.122 -6.160 1.00 0.00 N ATOM 1001 CA HIS A 64 9.548 -5.161 -5.257 1.00 0.00 C ATOM 1002 C HIS A 64 8.718 -6.422 -5.458 1.00 0.00 C ATOM 1003 O HIS A 64 8.404 -6.801 -6.587 1.00 0.00 O ATOM 1004 CB HIS A 64 8.724 -3.897 -5.532 1.00 0.00 C ATOM 1005 CG HIS A 64 7.316 -3.888 -5.003 1.00 0.00 C ATOM 1006 ND1 HIS A 64 6.622 -4.782 -4.254 1.00 0.00 N flip ATOM 1007 CD2 HIS A 64 6.442 -2.849 -5.252 1.00 0.00 C flip ATOM 1008 CE1 HIS A 64 5.362 -4.269 -4.072 1.00 0.00 C flip ATOM 1009 NE2 HIS A 64 5.279 -3.103 -4.680 1.00 0.00 N flip ATOM 0 H HIS A 64 10.426 -5.179 -7.146 1.00 0.00 H new ATOM 0 HA HIS A 64 9.882 -5.187 -4.220 1.00 0.00 H new ATOM 0 HB2 HIS A 64 9.254 -3.045 -5.107 1.00 0.00 H new ATOM 0 HB3 HIS A 64 8.685 -3.743 -6.610 1.00 0.00 H new ATOM 0 HD2 HIS A 64 6.674 -1.964 -5.826 1.00 0.00 H new ATOM 0 HE1 HIS A 64 4.566 -4.745 -3.519 1.00 0.00 H new ATOM 0 HE2 HIS A 64 4.457 -2.500 -4.705 1.00 0.00 H new ATOM 1018 N PHE A 65 8.376 -7.070 -4.351 1.00 0.00 N ATOM 1019 CA PHE A 65 7.592 -8.291 -4.396 1.00 0.00 C ATOM 1020 C PHE A 65 7.251 -8.767 -2.977 1.00 0.00 C ATOM 1021 O PHE A 65 7.046 -7.956 -2.080 1.00 0.00 O ATOM 1022 CB PHE A 65 8.392 -9.352 -5.145 1.00 0.00 C ATOM 1023 CG PHE A 65 7.546 -10.316 -5.926 1.00 0.00 C ATOM 1024 CD1 PHE A 65 6.500 -9.860 -6.712 1.00 0.00 C ATOM 1025 CD2 PHE A 65 7.797 -11.679 -5.875 1.00 0.00 C ATOM 1026 CE1 PHE A 65 5.721 -10.744 -7.433 1.00 0.00 C ATOM 1027 CE2 PHE A 65 7.021 -12.567 -6.594 1.00 0.00 C ATOM 1028 CZ PHE A 65 5.982 -12.100 -7.374 1.00 0.00 C ATOM 0 H PHE A 65 8.631 -6.767 -3.411 1.00 0.00 H new ATOM 0 HA PHE A 65 6.651 -8.107 -4.915 1.00 0.00 H new ATOM 0 HB2 PHE A 65 9.084 -8.857 -5.826 1.00 0.00 H new ATOM 0 HB3 PHE A 65 8.995 -9.911 -4.429 1.00 0.00 H new ATOM 0 HD1 PHE A 65 6.291 -8.801 -6.762 1.00 0.00 H new ATOM 0 HD2 PHE A 65 8.608 -12.050 -5.266 1.00 0.00 H new ATOM 0 HE1 PHE A 65 4.909 -10.376 -8.042 1.00 0.00 H new ATOM 0 HE2 PHE A 65 7.227 -13.626 -6.546 1.00 0.00 H new ATOM 0 HZ PHE A 65 5.374 -12.793 -7.937 1.00 0.00 H new ATOM 1038 N SER A 66 7.204 -10.084 -2.791 1.00 0.00 N ATOM 1039 CA SER A 66 6.911 -10.694 -1.499 1.00 0.00 C ATOM 1040 C SER A 66 5.637 -10.141 -0.880 1.00 0.00 C ATOM 1041 O SER A 66 5.055 -9.176 -1.375 1.00 0.00 O ATOM 1042 CB SER A 66 8.084 -10.482 -0.540 1.00 0.00 C ATOM 1043 OG SER A 66 9.006 -11.555 -0.617 1.00 0.00 O ATOM 0 H SER A 66 7.369 -10.760 -3.537 1.00 0.00 H new ATOM 0 HA SER A 66 6.761 -11.760 -1.670 1.00 0.00 H new ATOM 0 HB2 SER A 66 8.589 -9.546 -0.780 1.00 0.00 H new ATOM 0 HB3 SER A 66 7.712 -10.391 0.480 1.00 0.00 H new ATOM 0 HG SER A 66 9.747 -11.395 0.004 1.00 0.00 H new ATOM 1049 N LEU A 67 5.216 -10.759 0.217 1.00 0.00 N ATOM 1050 CA LEU A 67 4.021 -10.333 0.926 1.00 0.00 C ATOM 1051 C LEU A 67 4.234 -10.413 2.434 1.00 0.00 C ATOM 1052 O LEU A 67 4.546 -11.475 2.971 1.00 0.00 O ATOM 1053 CB LEU A 67 2.809 -11.174 0.502 1.00 0.00 C ATOM 1054 CG LEU A 67 2.575 -12.456 1.305 1.00 0.00 C ATOM 1055 CD1 LEU A 67 1.815 -12.155 2.589 1.00 0.00 C ATOM 1056 CD2 LEU A 67 1.819 -13.474 0.465 1.00 0.00 C ATOM 0 H LEU A 67 5.689 -11.561 0.635 1.00 0.00 H new ATOM 0 HA LEU A 67 3.821 -9.294 0.665 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.916 -10.553 0.576 1.00 0.00 H new ATOM 0 HB3 LEU A 67 2.925 -11.442 -0.548 1.00 0.00 H new ATOM 0 HG LEU A 67 3.544 -12.877 1.573 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.659 -13.080 3.145 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.391 -11.458 3.198 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.850 -11.711 2.345 1.00 0.00 H new ATOM 0 HD21 LEU A 67 1.660 -14.381 1.049 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.856 -13.058 0.170 1.00 0.00 H new ATOM 0 HD23 LEU A 67 2.399 -13.713 -0.426 1.00 0.00 H new ATOM 1068 N PHE A 68 4.065 -9.283 3.111 1.00 0.00 N ATOM 1069 CA PHE A 68 4.240 -9.233 4.555 1.00 0.00 C ATOM 1070 C PHE A 68 3.026 -9.847 5.249 1.00 0.00 C ATOM 1071 O PHE A 68 3.162 -10.636 6.184 1.00 0.00 O ATOM 1072 CB PHE A 68 4.472 -7.782 5.009 1.00 0.00 C ATOM 1073 CG PHE A 68 3.474 -7.259 6.010 1.00 0.00 C ATOM 1074 CD1 PHE A 68 2.235 -6.801 5.595 1.00 0.00 C ATOM 1075 CD2 PHE A 68 3.783 -7.215 7.358 1.00 0.00 C ATOM 1076 CE1 PHE A 68 1.320 -6.309 6.507 1.00 0.00 C ATOM 1077 CE2 PHE A 68 2.872 -6.727 8.276 1.00 0.00 C ATOM 1078 CZ PHE A 68 1.639 -6.272 7.850 1.00 0.00 C ATOM 0 H PHE A 68 3.808 -8.393 2.684 1.00 0.00 H new ATOM 0 HA PHE A 68 5.118 -9.816 4.834 1.00 0.00 H new ATOM 0 HB2 PHE A 68 5.470 -7.708 5.441 1.00 0.00 H new ATOM 0 HB3 PHE A 68 4.456 -7.136 4.131 1.00 0.00 H new ATOM 0 HD1 PHE A 68 1.980 -6.828 4.546 1.00 0.00 H new ATOM 0 HD2 PHE A 68 4.747 -7.566 7.697 1.00 0.00 H new ATOM 0 HE1 PHE A 68 0.357 -5.954 6.170 1.00 0.00 H new ATOM 0 HE2 PHE A 68 3.124 -6.701 9.326 1.00 0.00 H new ATOM 0 HZ PHE A 68 0.927 -5.888 8.565 1.00 0.00 H new ATOM 1088 N GLU A 69 1.842 -9.487 4.767 1.00 0.00 N ATOM 1089 CA GLU A 69 0.596 -10.003 5.317 1.00 0.00 C ATOM 1090 C GLU A 69 -0.584 -9.584 4.445 1.00 0.00 C ATOM 1091 O GLU A 69 -0.712 -8.419 4.080 1.00 0.00 O ATOM 1092 CB GLU A 69 0.395 -9.508 6.751 1.00 0.00 C ATOM 1093 CG GLU A 69 0.585 -10.592 7.800 1.00 0.00 C ATOM 1094 CD GLU A 69 -0.272 -10.370 9.030 1.00 0.00 C ATOM 1095 OE1 GLU A 69 -1.272 -9.629 8.931 1.00 0.00 O ATOM 1096 OE2 GLU A 69 0.057 -10.937 10.093 1.00 0.00 O ATOM 0 H GLU A 69 1.720 -8.836 3.992 1.00 0.00 H new ATOM 0 HA GLU A 69 0.652 -11.091 5.331 1.00 0.00 H new ATOM 0 HB2 GLU A 69 1.095 -8.696 6.948 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -0.609 -9.093 6.846 1.00 0.00 H new ATOM 0 HG2 GLU A 69 0.343 -11.561 7.363 1.00 0.00 H new ATOM 0 HG3 GLU A 69 1.634 -10.628 8.094 1.00 0.00 H new ATOM 1103 N LYS A 70 -1.443 -10.535 4.115 1.00 0.00 N ATOM 1104 CA LYS A 70 -2.608 -10.248 3.287 1.00 0.00 C ATOM 1105 C LYS A 70 -3.894 -10.481 4.073 1.00 0.00 C ATOM 1106 O LYS A 70 -4.243 -11.619 4.386 1.00 0.00 O ATOM 1107 CB LYS A 70 -2.598 -11.123 2.032 1.00 0.00 C ATOM 1108 CG LYS A 70 -2.302 -12.588 2.315 1.00 0.00 C ATOM 1109 CD LYS A 70 -3.065 -13.501 1.369 1.00 0.00 C ATOM 1110 CE LYS A 70 -3.083 -14.935 1.874 1.00 0.00 C ATOM 1111 NZ LYS A 70 -1.708 -15.478 2.055 1.00 0.00 N ATOM 0 H LYS A 70 -1.358 -11.509 4.405 1.00 0.00 H new ATOM 0 HA LYS A 70 -2.565 -9.201 2.988 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -3.566 -11.045 1.537 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -1.852 -10.738 1.336 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -1.232 -12.770 2.215 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -2.571 -12.823 3.345 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -4.088 -13.140 1.259 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -2.607 -13.468 0.381 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -3.618 -14.979 2.822 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -3.631 -15.561 1.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -1.761 -16.498 2.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -1.156 -15.321 1.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -1.246 -14.995 2.852 1.00 0.00 H new ATOM 1125 N LEU A 71 -4.593 -9.398 4.397 1.00 0.00 N ATOM 1126 CA LEU A 71 -5.831 -9.488 5.152 1.00 0.00 C ATOM 1127 C LEU A 71 -7.041 -9.461 4.222 1.00 0.00 C ATOM 1128 O LEU A 71 -7.235 -8.509 3.465 1.00 0.00 O ATOM 1129 CB LEU A 71 -5.916 -8.338 6.157 1.00 0.00 C ATOM 1130 CG LEU A 71 -7.226 -8.262 6.938 1.00 0.00 C ATOM 1131 CD1 LEU A 71 -7.081 -8.938 8.292 1.00 0.00 C ATOM 1132 CD2 LEU A 71 -7.667 -6.816 7.107 1.00 0.00 C ATOM 0 H LEU A 71 -4.320 -8.448 4.147 1.00 0.00 H new ATOM 0 HA LEU A 71 -5.835 -10.436 5.690 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -5.093 -8.432 6.865 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -5.772 -7.398 5.624 1.00 0.00 H new ATOM 0 HG LEU A 71 -7.993 -8.790 6.371 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -8.025 -8.874 8.834 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -6.815 -9.985 8.149 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -6.299 -8.440 8.865 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -8.602 -6.784 7.666 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -6.901 -6.263 7.650 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -7.815 -6.364 6.126 1.00 0.00 H new ATOM 1144 N GLU A 72 -7.853 -10.509 4.289 1.00 0.00 N ATOM 1145 CA GLU A 72 -9.045 -10.609 3.461 1.00 0.00 C ATOM 1146 C GLU A 72 -10.287 -10.790 4.333 1.00 0.00 C ATOM 1147 O GLU A 72 -10.483 -11.840 4.943 1.00 0.00 O ATOM 1148 CB GLU A 72 -8.903 -11.779 2.479 1.00 0.00 C ATOM 1149 CG GLU A 72 -10.223 -12.274 1.911 1.00 0.00 C ATOM 1150 CD GLU A 72 -10.073 -12.887 0.533 1.00 0.00 C ATOM 1151 OE1 GLU A 72 -9.025 -13.516 0.274 1.00 0.00 O ATOM 1152 OE2 GLU A 72 -11.003 -12.741 -0.287 1.00 0.00 O ATOM 0 H GLU A 72 -7.705 -11.304 4.911 1.00 0.00 H new ATOM 0 HA GLU A 72 -9.158 -9.686 2.893 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -8.257 -11.473 1.656 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -8.404 -12.606 2.985 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -10.651 -13.013 2.588 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -10.926 -11.443 1.860 1.00 0.00 H new ATOM 1159 N TYR A 73 -11.120 -9.755 4.386 1.00 0.00 N ATOM 1160 CA TYR A 73 -12.340 -9.797 5.182 1.00 0.00 C ATOM 1161 C TYR A 73 -13.486 -9.101 4.457 1.00 0.00 C ATOM 1162 O TYR A 73 -13.268 -8.161 3.690 1.00 0.00 O ATOM 1163 CB TYR A 73 -12.107 -9.135 6.542 1.00 0.00 C ATOM 1164 CG TYR A 73 -11.750 -7.668 6.448 1.00 0.00 C ATOM 1165 CD1 TYR A 73 -10.593 -7.255 5.798 1.00 0.00 C ATOM 1166 CD2 TYR A 73 -12.570 -6.697 7.007 1.00 0.00 C ATOM 1167 CE1 TYR A 73 -10.264 -5.916 5.710 1.00 0.00 C ATOM 1168 CE2 TYR A 73 -12.249 -5.356 6.922 1.00 0.00 C ATOM 1169 CZ TYR A 73 -11.095 -4.970 6.273 1.00 0.00 C ATOM 1170 OH TYR A 73 -10.772 -3.636 6.187 1.00 0.00 O ATOM 0 H TYR A 73 -10.972 -8.878 3.887 1.00 0.00 H new ATOM 0 HA TYR A 73 -12.610 -10.842 5.334 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -13.006 -9.243 7.148 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -11.307 -9.663 7.061 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -9.941 -7.993 5.355 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -13.474 -6.995 7.517 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -9.360 -5.612 5.203 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -12.899 -4.614 7.362 1.00 0.00 H new ATOM 0 HH TYR A 73 -11.462 -3.103 6.634 1.00 0.00 H new ATOM 1180 N GLU A 74 -14.709 -9.559 4.705 1.00 0.00 N ATOM 1181 CA GLU A 74 -15.884 -8.968 4.075 1.00 0.00 C ATOM 1182 C GLU A 74 -16.861 -8.446 5.120 1.00 0.00 C ATOM 1183 O GLU A 74 -17.235 -9.155 6.054 1.00 0.00 O ATOM 1184 CB GLU A 74 -16.590 -9.974 3.160 1.00 0.00 C ATOM 1185 CG GLU A 74 -16.595 -11.396 3.692 1.00 0.00 C ATOM 1186 CD GLU A 74 -16.737 -12.430 2.593 1.00 0.00 C ATOM 1187 OE1 GLU A 74 -17.809 -12.473 1.953 1.00 0.00 O ATOM 1188 OE2 GLU A 74 -15.776 -13.196 2.371 1.00 0.00 O ATOM 0 H GLU A 74 -14.912 -10.335 5.335 1.00 0.00 H new ATOM 0 HA GLU A 74 -15.539 -8.131 3.468 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -17.620 -9.650 3.008 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -16.105 -9.964 2.184 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -15.670 -11.578 4.240 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -17.414 -11.511 4.402 1.00 0.00 H new ATOM 1195 N PHE A 75 -17.266 -7.197 4.946 1.00 0.00 N ATOM 1196 CA PHE A 75 -18.195 -6.546 5.847 1.00 0.00 C ATOM 1197 C PHE A 75 -19.623 -6.651 5.312 1.00 0.00 C ATOM 1198 O PHE A 75 -19.828 -6.948 4.136 1.00 0.00 O ATOM 1199 CB PHE A 75 -17.795 -5.086 6.023 1.00 0.00 C ATOM 1200 CG PHE A 75 -16.947 -4.832 7.238 1.00 0.00 C ATOM 1201 CD1 PHE A 75 -17.258 -5.414 8.458 1.00 0.00 C ATOM 1202 CD2 PHE A 75 -15.835 -4.009 7.158 1.00 0.00 C ATOM 1203 CE1 PHE A 75 -16.476 -5.178 9.573 1.00 0.00 C ATOM 1204 CE2 PHE A 75 -15.050 -3.770 8.270 1.00 0.00 C ATOM 1205 CZ PHE A 75 -15.371 -4.354 9.479 1.00 0.00 C ATOM 0 H PHE A 75 -16.957 -6.608 4.173 1.00 0.00 H new ATOM 0 HA PHE A 75 -18.161 -7.044 6.816 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -17.251 -4.759 5.137 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -18.697 -4.477 6.087 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -18.121 -6.059 8.538 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -15.579 -3.549 6.215 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -16.729 -5.637 10.517 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -14.186 -3.127 8.193 1.00 0.00 H new ATOM 0 HZ PHE A 75 -14.760 -4.167 10.349 1.00 0.00 H new ATOM 1215 N PRO A 76 -20.630 -6.412 6.171 1.00 0.00 N ATOM 1216 CA PRO A 76 -22.041 -6.481 5.784 1.00 0.00 C ATOM 1217 C PRO A 76 -22.350 -5.620 4.566 1.00 0.00 C ATOM 1218 O PRO A 76 -22.820 -4.489 4.694 1.00 0.00 O ATOM 1219 CB PRO A 76 -22.796 -5.962 7.018 1.00 0.00 C ATOM 1220 CG PRO A 76 -21.758 -5.334 7.886 1.00 0.00 C ATOM 1221 CD PRO A 76 -20.472 -6.044 7.579 1.00 0.00 C ATOM 0 HA PRO A 76 -22.328 -7.493 5.499 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -23.561 -5.239 6.735 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -23.303 -6.775 7.538 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -21.672 -4.267 7.681 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -22.017 -5.436 8.940 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -19.607 -5.399 7.733 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -20.333 -6.920 8.212 1.00 0.00 H new ATOM 1229 N ASP A 77 -22.075 -6.176 3.389 1.00 0.00 N ATOM 1230 CA ASP A 77 -22.307 -5.499 2.108 1.00 0.00 C ATOM 1231 C ASP A 77 -21.064 -4.746 1.636 1.00 0.00 C ATOM 1232 O ASP A 77 -21.119 -3.997 0.661 1.00 0.00 O ATOM 1233 CB ASP A 77 -23.498 -4.536 2.194 1.00 0.00 C ATOM 1234 CG ASP A 77 -24.253 -4.432 0.883 1.00 0.00 C ATOM 1235 OD1 ASP A 77 -25.105 -5.306 0.618 1.00 0.00 O ATOM 1236 OD2 ASP A 77 -23.992 -3.477 0.122 1.00 0.00 O ATOM 0 H ASP A 77 -21.683 -7.113 3.292 1.00 0.00 H new ATOM 0 HA ASP A 77 -22.537 -6.275 1.378 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -24.178 -4.873 2.976 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -23.142 -3.548 2.485 1.00 0.00 H new ATOM 1241 N ARG A 78 -19.941 -4.950 2.322 1.00 0.00 N ATOM 1242 CA ARG A 78 -18.695 -4.289 1.952 1.00 0.00 C ATOM 1243 C ARG A 78 -17.519 -5.262 2.026 1.00 0.00 C ATOM 1244 O ARG A 78 -16.921 -5.444 3.085 1.00 0.00 O ATOM 1245 CB ARG A 78 -18.439 -3.084 2.863 1.00 0.00 C ATOM 1246 CG ARG A 78 -17.912 -1.867 2.121 1.00 0.00 C ATOM 1247 CD ARG A 78 -17.955 -0.615 2.986 1.00 0.00 C ATOM 1248 NE ARG A 78 -17.345 -0.828 4.300 1.00 0.00 N ATOM 1249 CZ ARG A 78 -16.710 0.120 4.990 1.00 0.00 C ATOM 1250 NH1 ARG A 78 -16.594 1.348 4.500 1.00 0.00 N ATOM 1251 NH2 ARG A 78 -16.192 -0.160 6.180 1.00 0.00 N ATOM 0 H ARG A 78 -19.870 -5.565 3.133 1.00 0.00 H new ATOM 0 HA ARG A 78 -18.789 -3.941 0.923 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -19.367 -2.818 3.370 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -17.724 -3.367 3.635 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -16.887 -2.052 1.801 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -18.504 -1.707 1.220 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -17.437 0.196 2.474 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -18.991 -0.300 3.115 1.00 0.00 H new ATOM 0 HE ARG A 78 -17.410 -1.758 4.713 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -16.992 1.573 3.588 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -16.107 2.067 5.035 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -16.280 -1.100 6.566 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -15.706 0.565 6.708 1.00 0.00 H new ATOM 1265 N HIS A 79 -17.191 -5.881 0.897 1.00 0.00 N ATOM 1266 CA HIS A 79 -16.086 -6.831 0.841 1.00 0.00 C ATOM 1267 C HIS A 79 -14.769 -6.113 0.576 1.00 0.00 C ATOM 1268 O HIS A 79 -14.408 -5.863 -0.573 1.00 0.00 O ATOM 1269 CB HIS A 79 -16.337 -7.878 -0.247 1.00 0.00 C ATOM 1270 CG HIS A 79 -15.540 -9.132 -0.065 1.00 0.00 C ATOM 1271 ND1 HIS A 79 -16.018 -10.382 -0.396 1.00 0.00 N ATOM 1272 CD2 HIS A 79 -14.289 -9.325 0.418 1.00 0.00 C ATOM 1273 CE1 HIS A 79 -15.097 -11.291 -0.125 1.00 0.00 C ATOM 1274 NE2 HIS A 79 -14.038 -10.674 0.368 1.00 0.00 N ATOM 0 H HIS A 79 -17.674 -5.742 0.009 1.00 0.00 H new ATOM 0 HA HIS A 79 -16.021 -7.332 1.807 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -17.397 -8.130 -0.260 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -16.100 -7.444 -1.219 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -13.615 -8.561 0.776 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -15.194 -12.355 -0.280 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -13.173 -11.127 0.664 1.00 0.00 H new ATOM 1283 N ILE A 80 -14.054 -5.783 1.646 1.00 0.00 N ATOM 1284 CA ILE A 80 -12.781 -5.096 1.526 1.00 0.00 C ATOM 1285 C ILE A 80 -11.620 -6.069 1.697 1.00 0.00 C ATOM 1286 O ILE A 80 -11.384 -6.590 2.786 1.00 0.00 O ATOM 1287 CB ILE A 80 -12.662 -3.950 2.559 1.00 0.00 C ATOM 1288 CG1 ILE A 80 -11.222 -3.453 2.667 1.00 0.00 C ATOM 1289 CG2 ILE A 80 -13.162 -4.399 3.921 1.00 0.00 C ATOM 1290 CD1 ILE A 80 -10.789 -2.591 1.505 1.00 0.00 C ATOM 0 H ILE A 80 -14.338 -5.982 2.605 1.00 0.00 H new ATOM 0 HA ILE A 80 -12.736 -4.666 0.526 1.00 0.00 H new ATOM 0 HB ILE A 80 -13.285 -3.126 2.211 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -11.111 -2.885 3.591 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -10.555 -4.312 2.739 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -13.069 -3.578 4.632 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -14.208 -4.696 3.845 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -12.568 -5.246 4.266 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -9.756 -2.275 1.651 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -10.867 -3.162 0.580 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -11.432 -1.713 1.444 1.00 0.00 H new ATOM 1302 N THR A 81 -10.891 -6.294 0.612 1.00 0.00 N ATOM 1303 CA THR A 81 -9.742 -7.186 0.631 1.00 0.00 C ATOM 1304 C THR A 81 -8.456 -6.369 0.638 1.00 0.00 C ATOM 1305 O THR A 81 -8.202 -5.593 -0.282 1.00 0.00 O ATOM 1306 CB THR A 81 -9.778 -8.114 -0.584 1.00 0.00 C ATOM 1307 OG1 THR A 81 -11.091 -8.194 -1.113 1.00 0.00 O ATOM 1308 CG2 THR A 81 -9.321 -9.522 -0.276 1.00 0.00 C ATOM 0 H THR A 81 -11.077 -5.868 -0.296 1.00 0.00 H new ATOM 0 HA THR A 81 -9.776 -7.796 1.534 1.00 0.00 H new ATOM 0 HB THR A 81 -9.087 -7.676 -1.304 1.00 0.00 H new ATOM 0 HG1 THR A 81 -11.203 -9.047 -1.582 1.00 0.00 H new ATOM 0 HG21 THR A 81 -9.371 -10.127 -1.181 1.00 0.00 H new ATOM 0 HG22 THR A 81 -8.294 -9.500 0.089 1.00 0.00 H new ATOM 0 HG23 THR A 81 -9.968 -9.956 0.487 1.00 0.00 H new ATOM 1316 N LEU A 82 -7.655 -6.523 1.688 1.00 0.00 N ATOM 1317 CA LEU A 82 -6.414 -5.767 1.803 1.00 0.00 C ATOM 1318 C LEU A 82 -5.186 -6.676 1.789 1.00 0.00 C ATOM 1319 O LEU A 82 -4.968 -7.459 2.713 1.00 0.00 O ATOM 1320 CB LEU A 82 -6.430 -4.939 3.095 1.00 0.00 C ATOM 1321 CG LEU A 82 -6.311 -3.419 2.917 1.00 0.00 C ATOM 1322 CD1 LEU A 82 -5.330 -3.071 1.807 1.00 0.00 C ATOM 1323 CD2 LEU A 82 -7.674 -2.807 2.637 1.00 0.00 C ATOM 0 H LEU A 82 -7.841 -7.158 2.464 1.00 0.00 H new ATOM 0 HA LEU A 82 -6.347 -5.108 0.937 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -7.356 -5.152 3.629 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -5.611 -5.276 3.730 1.00 0.00 H new ATOM 0 HG LEU A 82 -5.927 -3.000 3.847 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -5.266 -1.988 1.704 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -4.346 -3.470 2.053 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -5.674 -3.505 0.868 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -7.570 -1.729 2.514 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -8.086 -3.239 1.725 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -8.344 -3.014 3.471 1.00 0.00 H new ATOM 1335 N TRP A 83 -4.378 -6.545 0.739 1.00 0.00 N ATOM 1336 CA TRP A 83 -3.157 -7.333 0.605 1.00 0.00 C ATOM 1337 C TRP A 83 -1.936 -6.448 0.815 1.00 0.00 C ATOM 1338 O TRP A 83 -1.746 -5.463 0.105 1.00 0.00 O ATOM 1339 CB TRP A 83 -3.076 -7.980 -0.779 1.00 0.00 C ATOM 1340 CG TRP A 83 -4.144 -8.993 -1.028 1.00 0.00 C ATOM 1341 CD1 TRP A 83 -5.420 -8.960 -0.557 1.00 0.00 C ATOM 1342 CD2 TRP A 83 -4.032 -10.189 -1.807 1.00 0.00 C ATOM 1343 NE1 TRP A 83 -6.113 -10.058 -0.995 1.00 0.00 N ATOM 1344 CE2 TRP A 83 -5.283 -10.831 -1.764 1.00 0.00 C ATOM 1345 CE3 TRP A 83 -2.997 -10.779 -2.538 1.00 0.00 C ATOM 1346 CZ2 TRP A 83 -5.527 -12.033 -2.423 1.00 0.00 C ATOM 1347 CZ3 TRP A 83 -3.240 -11.973 -3.191 1.00 0.00 C ATOM 1348 CH2 TRP A 83 -4.496 -12.588 -3.131 1.00 0.00 C ATOM 0 H TRP A 83 -4.548 -5.899 -0.032 1.00 0.00 H new ATOM 0 HA TRP A 83 -3.177 -8.117 1.362 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -3.141 -7.202 -1.539 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -2.102 -8.456 -0.892 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -5.828 -8.181 0.071 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -7.089 -10.266 -0.783 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -2.025 -10.311 -2.592 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -6.495 -12.510 -2.377 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -2.447 -12.439 -3.757 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -4.655 -13.519 -3.654 1.00 0.00 H new ATOM 1359 N PHE A 84 -1.105 -6.809 1.782 1.00 0.00 N ATOM 1360 CA PHE A 84 0.103 -6.042 2.061 1.00 0.00 C ATOM 1361 C PHE A 84 1.338 -6.830 1.623 1.00 0.00 C ATOM 1362 O PHE A 84 1.661 -7.868 2.198 1.00 0.00 O ATOM 1363 CB PHE A 84 0.196 -5.666 3.547 1.00 0.00 C ATOM 1364 CG PHE A 84 -0.830 -4.656 3.994 1.00 0.00 C ATOM 1365 CD1 PHE A 84 -2.166 -4.808 3.657 1.00 0.00 C ATOM 1366 CD2 PHE A 84 -0.458 -3.552 4.752 1.00 0.00 C ATOM 1367 CE1 PHE A 84 -3.107 -3.884 4.065 1.00 0.00 C ATOM 1368 CE2 PHE A 84 -1.399 -2.625 5.161 1.00 0.00 C ATOM 1369 CZ PHE A 84 -2.726 -2.793 4.816 1.00 0.00 C ATOM 0 H PHE A 84 -1.242 -7.622 2.383 1.00 0.00 H new ATOM 0 HA PHE A 84 0.057 -5.114 1.491 1.00 0.00 H new ATOM 0 HB2 PHE A 84 0.085 -6.570 4.147 1.00 0.00 H new ATOM 0 HB3 PHE A 84 1.191 -5.270 3.748 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -2.474 -5.659 3.068 1.00 0.00 H new ATOM 0 HD2 PHE A 84 0.578 -3.417 5.025 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -4.144 -4.016 3.795 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -1.097 -1.771 5.749 1.00 0.00 H new ATOM 0 HZ PHE A 84 -3.463 -2.071 5.134 1.00 0.00 H new ATOM 1379 N TRP A 85 2.008 -6.338 0.582 1.00 0.00 N ATOM 1380 CA TRP A 85 3.191 -6.998 0.037 1.00 0.00 C ATOM 1381 C TRP A 85 4.477 -6.429 0.628 1.00 0.00 C ATOM 1382 O TRP A 85 4.539 -5.251 0.980 1.00 0.00 O ATOM 1383 CB TRP A 85 3.208 -6.873 -1.486 1.00 0.00 C ATOM 1384 CG TRP A 85 2.164 -7.715 -2.153 1.00 0.00 C ATOM 1385 CD1 TRP A 85 0.816 -7.664 -1.944 1.00 0.00 C ATOM 1386 CD2 TRP A 85 2.381 -8.738 -3.131 1.00 0.00 C ATOM 1387 NE1 TRP A 85 0.181 -8.592 -2.732 1.00 0.00 N ATOM 1388 CE2 TRP A 85 1.120 -9.264 -3.472 1.00 0.00 C ATOM 1389 CE3 TRP A 85 3.516 -9.261 -3.754 1.00 0.00 C ATOM 1390 CZ2 TRP A 85 0.964 -10.284 -4.406 1.00 0.00 C ATOM 1391 CZ3 TRP A 85 3.362 -10.274 -4.682 1.00 0.00 C ATOM 1392 CH2 TRP A 85 2.094 -10.776 -5.000 1.00 0.00 C ATOM 0 H TRP A 85 1.749 -5.479 0.097 1.00 0.00 H new ATOM 0 HA TRP A 85 3.140 -8.052 0.311 1.00 0.00 H new ATOM 0 HB2 TRP A 85 3.056 -5.829 -1.761 1.00 0.00 H new ATOM 0 HB3 TRP A 85 4.191 -7.161 -1.858 1.00 0.00 H new ATOM 0 HD1 TRP A 85 0.321 -6.992 -1.259 1.00 0.00 H new ATOM 0 HE1 TRP A 85 -0.825 -8.755 -2.762 1.00 0.00 H new ATOM 0 HE3 TRP A 85 4.498 -8.880 -3.515 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 -0.013 -10.673 -4.653 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 4.234 -10.685 -5.170 1.00 0.00 H new ATOM 0 HH2 TRP A 85 2.006 -11.568 -5.729 1.00 0.00 H new ATOM 1403 N LEU A 86 5.505 -7.274 0.744 1.00 0.00 N ATOM 1404 CA LEU A 86 6.780 -6.840 1.303 1.00 0.00 C ATOM 1405 C LEU A 86 7.779 -6.495 0.201 1.00 0.00 C ATOM 1406 O LEU A 86 8.386 -7.373 -0.410 1.00 0.00 O ATOM 1407 CB LEU A 86 7.352 -7.928 2.212 1.00 0.00 C ATOM 1408 CG LEU A 86 8.768 -7.668 2.730 1.00 0.00 C ATOM 1409 CD1 LEU A 86 8.768 -6.526 3.734 1.00 0.00 C ATOM 1410 CD2 LEU A 86 9.346 -8.930 3.355 1.00 0.00 C ATOM 0 H LEU A 86 5.477 -8.253 0.460 1.00 0.00 H new ATOM 0 HA LEU A 86 6.603 -5.939 1.890 1.00 0.00 H new ATOM 0 HB2 LEU A 86 6.687 -8.051 3.067 1.00 0.00 H new ATOM 0 HB3 LEU A 86 7.350 -8.872 1.667 1.00 0.00 H new ATOM 0 HG LEU A 86 9.397 -7.382 1.887 1.00 0.00 H new ATOM 0 HD11 LEU A 86 9.784 -6.356 4.091 1.00 0.00 H new ATOM 0 HD12 LEU A 86 8.395 -5.621 3.255 1.00 0.00 H new ATOM 0 HD13 LEU A 86 8.125 -6.782 4.576 1.00 0.00 H new ATOM 0 HD21 LEU A 86 10.354 -8.728 3.718 1.00 0.00 H new ATOM 0 HD22 LEU A 86 8.717 -9.245 4.187 1.00 0.00 H new ATOM 0 HD23 LEU A 86 9.382 -9.722 2.607 1.00 0.00 H new ATOM 1422 N VAL A 87 7.947 -5.201 -0.025 1.00 0.00 N ATOM 1423 CA VAL A 87 8.866 -4.680 -1.034 1.00 0.00 C ATOM 1424 C VAL A 87 10.262 -4.558 -0.479 1.00 0.00 C ATOM 1425 O VAL A 87 10.433 -4.286 0.709 1.00 0.00 O ATOM 1426 CB VAL A 87 8.426 -3.307 -1.515 1.00 0.00 C ATOM 1427 CG1 VAL A 87 9.203 -2.886 -2.750 1.00 0.00 C ATOM 1428 CG2 VAL A 87 6.928 -3.307 -1.777 1.00 0.00 C ATOM 0 H VAL A 87 7.447 -4.475 0.489 1.00 0.00 H new ATOM 0 HA VAL A 87 8.857 -5.384 -1.866 1.00 0.00 H new ATOM 0 HB VAL A 87 8.640 -2.577 -0.735 1.00 0.00 H new ATOM 0 HG11 VAL A 87 8.868 -1.900 -3.072 1.00 0.00 H new ATOM 0 HG12 VAL A 87 10.267 -2.849 -2.515 1.00 0.00 H new ATOM 0 HG13 VAL A 87 9.033 -3.607 -3.550 1.00 0.00 H new ATOM 0 HG21 VAL A 87 6.619 -2.320 -2.121 1.00 0.00 H new ATOM 0 HG22 VAL A 87 6.692 -4.048 -2.541 1.00 0.00 H new ATOM 0 HG23 VAL A 87 6.398 -3.553 -0.857 1.00 0.00 H new ATOM 1438 N GLU A 88 11.267 -4.786 -1.314 1.00 0.00 N ATOM 1439 CA GLU A 88 12.636 -4.712 -0.823 1.00 0.00 C ATOM 1440 C GLU A 88 13.468 -3.577 -1.433 1.00 0.00 C ATOM 1441 O GLU A 88 14.448 -3.149 -0.823 1.00 0.00 O ATOM 1442 CB GLU A 88 13.346 -6.049 -1.041 1.00 0.00 C ATOM 1443 CG GLU A 88 13.552 -6.397 -2.506 1.00 0.00 C ATOM 1444 CD GLU A 88 14.645 -7.426 -2.712 1.00 0.00 C ATOM 1445 OE1 GLU A 88 14.660 -8.432 -1.971 1.00 0.00 O ATOM 1446 OE2 GLU A 88 15.485 -7.228 -3.615 1.00 0.00 O ATOM 0 H GLU A 88 11.167 -5.016 -2.303 1.00 0.00 H new ATOM 0 HA GLU A 88 12.555 -4.488 0.241 1.00 0.00 H new ATOM 0 HB2 GLU A 88 14.315 -6.022 -0.543 1.00 0.00 H new ATOM 0 HB3 GLU A 88 12.766 -6.840 -0.566 1.00 0.00 H new ATOM 0 HG2 GLU A 88 12.618 -6.777 -2.920 1.00 0.00 H new ATOM 0 HG3 GLU A 88 13.801 -5.492 -3.059 1.00 0.00 H new ATOM 1453 N ARG A 89 13.120 -3.096 -2.624 1.00 0.00 N ATOM 1454 CA ARG A 89 13.905 -2.030 -3.244 1.00 0.00 C ATOM 1455 C ARG A 89 13.132 -1.338 -4.360 1.00 0.00 C ATOM 1456 O ARG A 89 12.178 -1.893 -4.901 1.00 0.00 O ATOM 1457 CB ARG A 89 15.224 -2.614 -3.773 1.00 0.00 C ATOM 1458 CG ARG A 89 15.944 -1.749 -4.800 1.00 0.00 C ATOM 1459 CD ARG A 89 16.649 -0.573 -4.142 1.00 0.00 C ATOM 1460 NE ARG A 89 16.903 0.512 -5.088 1.00 0.00 N ATOM 1461 CZ ARG A 89 17.830 0.463 -6.041 1.00 0.00 C ATOM 1462 NH1 ARG A 89 18.590 -0.617 -6.183 1.00 0.00 N ATOM 1463 NH2 ARG A 89 17.998 1.495 -6.856 1.00 0.00 N ATOM 0 H ARG A 89 12.320 -3.417 -3.169 1.00 0.00 H new ATOM 0 HA ARG A 89 14.120 -1.273 -2.490 1.00 0.00 H new ATOM 0 HB2 ARG A 89 15.893 -2.783 -2.929 1.00 0.00 H new ATOM 0 HB3 ARG A 89 15.020 -3.588 -4.219 1.00 0.00 H new ATOM 0 HG2 ARG A 89 16.671 -2.354 -5.341 1.00 0.00 H new ATOM 0 HG3 ARG A 89 15.227 -1.381 -5.534 1.00 0.00 H new ATOM 0 HD2 ARG A 89 16.041 -0.200 -3.318 1.00 0.00 H new ATOM 0 HD3 ARG A 89 17.593 -0.910 -3.714 1.00 0.00 H new ATOM 0 HE ARG A 89 16.336 1.357 -5.013 1.00 0.00 H new ATOM 0 HH11 ARG A 89 18.464 -1.415 -5.560 1.00 0.00 H new ATOM 0 HH12 ARG A 89 19.299 -0.649 -6.915 1.00 0.00 H new ATOM 0 HH21 ARG A 89 17.417 2.327 -6.752 1.00 0.00 H new ATOM 0 HH22 ARG A 89 18.709 1.457 -7.587 1.00 0.00 H new ATOM 1477 N TRP A 90 13.569 -0.131 -4.717 1.00 0.00 N ATOM 1478 CA TRP A 90 12.933 0.619 -5.791 1.00 0.00 C ATOM 1479 C TRP A 90 13.924 1.563 -6.469 1.00 0.00 C ATOM 1480 O TRP A 90 14.572 2.378 -5.813 1.00 0.00 O ATOM 1481 CB TRP A 90 11.698 1.372 -5.274 1.00 0.00 C ATOM 1482 CG TRP A 90 11.981 2.719 -4.678 1.00 0.00 C ATOM 1483 CD1 TRP A 90 12.384 3.842 -5.341 1.00 0.00 C ATOM 1484 CD2 TRP A 90 11.854 3.089 -3.302 1.00 0.00 C ATOM 1485 NE1 TRP A 90 12.524 4.886 -4.460 1.00 0.00 N ATOM 1486 CE2 TRP A 90 12.202 4.449 -3.202 1.00 0.00 C ATOM 1487 CE3 TRP A 90 11.481 2.403 -2.142 1.00 0.00 C ATOM 1488 CZ2 TRP A 90 12.186 5.134 -1.991 1.00 0.00 C ATOM 1489 CZ3 TRP A 90 11.465 3.086 -0.940 1.00 0.00 C ATOM 1490 CH2 TRP A 90 11.815 4.439 -0.873 1.00 0.00 C ATOM 0 H TRP A 90 14.358 0.344 -4.278 1.00 0.00 H new ATOM 0 HA TRP A 90 12.596 -0.091 -6.546 1.00 0.00 H new ATOM 0 HB2 TRP A 90 10.995 1.496 -6.098 1.00 0.00 H new ATOM 0 HB3 TRP A 90 11.203 0.756 -4.523 1.00 0.00 H new ATOM 0 HD1 TRP A 90 12.566 3.901 -6.404 1.00 0.00 H new ATOM 0 HE1 TRP A 90 12.819 5.832 -4.702 1.00 0.00 H new ATOM 0 HE3 TRP A 90 11.210 1.358 -2.184 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 12.457 6.178 -1.936 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 11.178 2.567 -0.038 1.00 0.00 H new ATOM 0 HH2 TRP A 90 11.792 4.945 0.081 1.00 0.00 H new ATOM 1501 N GLU A 91 14.045 1.438 -7.794 1.00 0.00 N ATOM 1502 CA GLU A 91 14.963 2.273 -8.559 1.00 0.00 C ATOM 1503 C GLU A 91 14.440 3.701 -8.669 1.00 0.00 C ATOM 1504 O GLU A 91 13.240 3.925 -8.822 1.00 0.00 O ATOM 1505 CB GLU A 91 15.174 1.687 -9.956 1.00 0.00 C ATOM 1506 CG GLU A 91 16.170 2.466 -10.799 1.00 0.00 C ATOM 1507 CD GLU A 91 16.700 1.659 -11.969 1.00 0.00 C ATOM 1508 OE1 GLU A 91 16.037 0.678 -12.363 1.00 0.00 O ATOM 1509 OE2 GLU A 91 17.780 2.010 -12.491 1.00 0.00 O ATOM 0 H GLU A 91 13.518 0.767 -8.354 1.00 0.00 H new ATOM 0 HA GLU A 91 15.917 2.295 -8.032 1.00 0.00 H new ATOM 0 HB2 GLU A 91 15.519 0.657 -9.861 1.00 0.00 H new ATOM 0 HB3 GLU A 91 14.217 1.656 -10.476 1.00 0.00 H new ATOM 0 HG2 GLU A 91 15.693 3.372 -11.173 1.00 0.00 H new ATOM 0 HG3 GLU A 91 17.004 2.780 -10.172 1.00 0.00 H new ATOM 1516 N GLY A 92 15.353 4.666 -8.591 1.00 0.00 N ATOM 1517 CA GLY A 92 14.967 6.063 -8.684 1.00 0.00 C ATOM 1518 C GLY A 92 13.923 6.447 -7.654 1.00 0.00 C ATOM 1519 O GLY A 92 14.163 6.351 -6.450 1.00 0.00 O ATOM 0 H GLY A 92 16.352 4.505 -8.465 1.00 0.00 H new ATOM 0 HA2 GLY A 92 15.849 6.690 -8.553 1.00 0.00 H new ATOM 0 HA3 GLY A 92 14.579 6.264 -9.682 1.00 0.00 H new ATOM 1523 N GLU A 93 12.760 6.882 -8.127 1.00 0.00 N ATOM 1524 CA GLU A 93 11.675 7.279 -7.239 1.00 0.00 C ATOM 1525 C GLU A 93 10.358 6.637 -7.672 1.00 0.00 C ATOM 1526 O GLU A 93 10.089 6.505 -8.866 1.00 0.00 O ATOM 1527 CB GLU A 93 11.532 8.802 -7.224 1.00 0.00 C ATOM 1528 CG GLU A 93 12.798 9.527 -6.795 1.00 0.00 C ATOM 1529 CD GLU A 93 12.557 10.994 -6.497 1.00 0.00 C ATOM 1530 OE1 GLU A 93 11.391 11.365 -6.248 1.00 0.00 O ATOM 1531 OE2 GLU A 93 13.534 11.771 -6.514 1.00 0.00 O ATOM 0 H GLU A 93 12.545 6.968 -9.120 1.00 0.00 H new ATOM 0 HA GLU A 93 11.915 6.934 -6.233 1.00 0.00 H new ATOM 0 HB2 GLU A 93 11.248 9.142 -8.220 1.00 0.00 H new ATOM 0 HB3 GLU A 93 10.720 9.076 -6.550 1.00 0.00 H new ATOM 0 HG2 GLU A 93 13.207 9.042 -5.909 1.00 0.00 H new ATOM 0 HG3 GLU A 93 13.547 9.438 -7.581 1.00 0.00 H new ATOM 1538 N PRO A 94 9.509 6.235 -6.707 1.00 0.00 N ATOM 1539 CA PRO A 94 8.216 5.618 -6.995 1.00 0.00 C ATOM 1540 C PRO A 94 7.195 6.651 -7.436 1.00 0.00 C ATOM 1541 O PRO A 94 7.005 7.668 -6.769 1.00 0.00 O ATOM 1542 CB PRO A 94 7.798 4.986 -5.655 1.00 0.00 C ATOM 1543 CG PRO A 94 8.956 5.187 -4.729 1.00 0.00 C ATOM 1544 CD PRO A 94 9.720 6.360 -5.265 1.00 0.00 C ATOM 0 HA PRO A 94 8.278 4.894 -7.808 1.00 0.00 H new ATOM 0 HB2 PRO A 94 6.898 5.460 -5.263 1.00 0.00 H new ATOM 0 HB3 PRO A 94 7.574 3.926 -5.776 1.00 0.00 H new ATOM 0 HG2 PRO A 94 8.613 5.377 -3.712 1.00 0.00 H new ATOM 0 HG3 PRO A 94 9.584 4.297 -4.692 1.00 0.00 H new ATOM 0 HD2 PRO A 94 9.339 7.305 -4.878 1.00 0.00 H new ATOM 0 HD3 PRO A 94 10.777 6.312 -5.003 1.00 0.00 H new ATOM 1552 N TRP A 95 6.538 6.399 -8.562 1.00 0.00 N ATOM 1553 CA TRP A 95 5.547 7.335 -9.061 1.00 0.00 C ATOM 1554 C TRP A 95 4.251 6.642 -9.451 1.00 0.00 C ATOM 1555 O TRP A 95 3.193 6.920 -8.887 1.00 0.00 O ATOM 1556 CB TRP A 95 6.088 8.123 -10.258 1.00 0.00 C ATOM 1557 CG TRP A 95 6.758 7.290 -11.323 1.00 0.00 C ATOM 1558 CD1 TRP A 95 8.071 6.930 -11.370 1.00 0.00 C ATOM 1559 CD2 TRP A 95 6.153 6.734 -12.502 1.00 0.00 C ATOM 1560 NE1 TRP A 95 8.331 6.207 -12.512 1.00 0.00 N ATOM 1561 CE2 TRP A 95 7.170 6.075 -13.224 1.00 0.00 C ATOM 1562 CE3 TRP A 95 4.854 6.731 -13.021 1.00 0.00 C ATOM 1563 CZ2 TRP A 95 6.929 5.432 -14.436 1.00 0.00 C ATOM 1564 CZ3 TRP A 95 4.616 6.088 -14.220 1.00 0.00 C ATOM 1565 CH2 TRP A 95 5.649 5.451 -14.919 1.00 0.00 C ATOM 0 H TRP A 95 6.673 5.567 -9.137 1.00 0.00 H new ATOM 0 HA TRP A 95 5.331 8.024 -8.245 1.00 0.00 H new ATOM 0 HB2 TRP A 95 5.264 8.673 -10.713 1.00 0.00 H new ATOM 0 HB3 TRP A 95 6.802 8.862 -9.894 1.00 0.00 H new ATOM 0 HD1 TRP A 95 8.805 7.177 -10.617 1.00 0.00 H new ATOM 0 HE1 TRP A 95 9.240 5.831 -12.783 1.00 0.00 H new ATOM 0 HE3 TRP A 95 4.051 7.223 -12.493 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 7.723 4.937 -14.975 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 3.615 6.076 -14.626 1.00 0.00 H new ATOM 0 HH2 TRP A 95 5.431 4.965 -15.858 1.00 0.00 H new ATOM 1576 N GLY A 96 4.340 5.753 -10.428 1.00 0.00 N ATOM 1577 CA GLY A 96 3.162 5.040 -10.896 1.00 0.00 C ATOM 1578 C GLY A 96 1.960 5.951 -11.088 1.00 0.00 C ATOM 1579 O GLY A 96 1.873 6.674 -12.080 1.00 0.00 O ATOM 0 H GLY A 96 5.206 5.510 -10.908 1.00 0.00 H new ATOM 0 HA2 GLY A 96 3.393 4.547 -11.840 1.00 0.00 H new ATOM 0 HA3 GLY A 96 2.909 4.257 -10.181 1.00 0.00 H new ATOM 1583 N LYS A 97 1.034 5.908 -10.133 1.00 0.00 N ATOM 1584 CA LYS A 97 -0.174 6.726 -10.190 1.00 0.00 C ATOM 1585 C LYS A 97 -1.070 6.469 -8.979 1.00 0.00 C ATOM 1586 O LYS A 97 -2.296 6.489 -9.087 1.00 0.00 O ATOM 1587 CB LYS A 97 -0.955 6.440 -11.476 1.00 0.00 C ATOM 1588 CG LYS A 97 -1.868 7.579 -11.900 1.00 0.00 C ATOM 1589 CD LYS A 97 -1.091 8.686 -12.594 1.00 0.00 C ATOM 1590 CE LYS A 97 -1.954 9.421 -13.607 1.00 0.00 C ATOM 1591 NZ LYS A 97 -2.761 10.499 -12.972 1.00 0.00 N ATOM 0 H LYS A 97 1.098 5.313 -9.307 1.00 0.00 H new ATOM 0 HA LYS A 97 0.133 7.772 -10.181 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -0.250 6.232 -12.281 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -1.553 5.539 -11.335 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -2.639 7.199 -12.570 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -2.377 7.984 -11.025 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -0.719 9.392 -11.851 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -0.221 8.262 -13.095 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -1.318 9.852 -14.381 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -2.619 8.712 -14.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -3.335 10.975 -13.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -3.386 10.086 -12.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -2.126 11.190 -12.524 1.00 0.00 H new ATOM 1605 N GLU A 98 -0.451 6.231 -7.824 1.00 0.00 N ATOM 1606 CA GLU A 98 -1.192 5.973 -6.589 1.00 0.00 C ATOM 1607 C GLU A 98 -2.246 7.052 -6.354 1.00 0.00 C ATOM 1608 O GLU A 98 -3.345 6.767 -5.880 1.00 0.00 O ATOM 1609 CB GLU A 98 -0.231 5.915 -5.400 1.00 0.00 C ATOM 1610 CG GLU A 98 0.725 7.097 -5.332 1.00 0.00 C ATOM 1611 CD GLU A 98 1.875 6.863 -4.374 1.00 0.00 C ATOM 1612 OE1 GLU A 98 2.103 5.697 -3.990 1.00 0.00 O ATOM 1613 OE2 GLU A 98 2.551 7.849 -4.008 1.00 0.00 O ATOM 0 H GLU A 98 0.563 6.211 -7.717 1.00 0.00 H new ATOM 0 HA GLU A 98 -1.697 5.012 -6.688 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -0.810 5.873 -4.477 1.00 0.00 H new ATOM 0 HB3 GLU A 98 0.348 4.993 -5.456 1.00 0.00 H new ATOM 0 HG2 GLU A 98 1.121 7.296 -6.328 1.00 0.00 H new ATOM 0 HG3 GLU A 98 0.176 7.986 -5.024 1.00 0.00 H new ATOM 1620 N GLY A 99 -1.902 8.291 -6.693 1.00 0.00 N ATOM 1621 CA GLY A 99 -2.830 9.394 -6.518 1.00 0.00 C ATOM 1622 C GLY A 99 -2.337 10.426 -5.522 1.00 0.00 C ATOM 1623 O GLY A 99 -2.631 11.613 -5.653 1.00 0.00 O ATOM 0 H GLY A 99 -0.997 8.551 -7.086 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -2.999 9.877 -7.481 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -3.792 9.004 -6.184 1.00 0.00 H new ATOM 1627 N GLN A 100 -1.590 9.974 -4.519 1.00 0.00 N ATOM 1628 CA GLN A 100 -1.063 10.870 -3.496 1.00 0.00 C ATOM 1629 C GLN A 100 0.437 10.681 -3.309 1.00 0.00 C ATOM 1630 O GLN A 100 0.878 9.788 -2.587 1.00 0.00 O ATOM 1631 CB GLN A 100 -1.789 10.644 -2.166 1.00 0.00 C ATOM 1632 CG GLN A 100 -2.091 9.182 -1.875 1.00 0.00 C ATOM 1633 CD GLN A 100 -3.522 8.807 -2.206 1.00 0.00 C ATOM 1634 OE1 GLN A 100 -4.250 9.578 -2.830 1.00 0.00 O ATOM 1635 NE2 GLN A 100 -3.933 7.615 -1.788 1.00 0.00 N ATOM 0 H GLN A 100 -1.337 8.994 -4.393 1.00 0.00 H new ATOM 0 HA GLN A 100 -1.236 11.893 -3.830 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -1.181 11.048 -1.357 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -2.724 11.205 -2.173 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -1.412 8.553 -2.450 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -1.900 8.978 -0.822 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -3.296 7.007 -1.274 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -4.886 7.307 -1.982 1.00 0.00 H new ATOM 1644 N PRO A 101 1.243 11.536 -3.958 1.00 0.00 N ATOM 1645 CA PRO A 101 2.704 11.482 -3.863 1.00 0.00 C ATOM 1646 C PRO A 101 3.188 11.264 -2.432 1.00 0.00 C ATOM 1647 O PRO A 101 2.568 11.736 -1.479 1.00 0.00 O ATOM 1648 CB PRO A 101 3.109 12.866 -4.358 1.00 0.00 C ATOM 1649 CG PRO A 101 2.079 13.203 -5.373 1.00 0.00 C ATOM 1650 CD PRO A 101 0.793 12.637 -4.840 1.00 0.00 C ATOM 0 HA PRO A 101 3.132 10.654 -4.429 1.00 0.00 H new ATOM 0 HB2 PRO A 101 3.121 13.592 -3.545 1.00 0.00 H new ATOM 0 HB3 PRO A 101 4.109 12.857 -4.792 1.00 0.00 H new ATOM 0 HG2 PRO A 101 2.005 14.281 -5.514 1.00 0.00 H new ATOM 0 HG3 PRO A 101 2.327 12.771 -6.342 1.00 0.00 H new ATOM 0 HD2 PRO A 101 0.222 13.385 -4.290 1.00 0.00 H new ATOM 0 HD3 PRO A 101 0.151 12.273 -5.642 1.00 0.00 H new ATOM 1658 N GLY A 102 4.295 10.541 -2.286 1.00 0.00 N ATOM 1659 CA GLY A 102 4.833 10.271 -0.964 1.00 0.00 C ATOM 1660 C GLY A 102 6.333 10.490 -0.879 1.00 0.00 C ATOM 1661 O GLY A 102 6.981 10.803 -1.878 1.00 0.00 O ATOM 0 H GLY A 102 4.828 10.138 -3.057 1.00 0.00 H new ATOM 0 HA2 GLY A 102 4.336 10.913 -0.237 1.00 0.00 H new ATOM 0 HA3 GLY A 102 4.605 9.241 -0.688 1.00 0.00 H new ATOM 1665 N GLU A 103 6.881 10.317 0.320 1.00 0.00 N ATOM 1666 CA GLU A 103 8.314 10.488 0.552 1.00 0.00 C ATOM 1667 C GLU A 103 8.877 9.280 1.292 1.00 0.00 C ATOM 1668 O GLU A 103 8.138 8.556 1.959 1.00 0.00 O ATOM 1669 CB GLU A 103 8.576 11.764 1.353 1.00 0.00 C ATOM 1670 CG GLU A 103 9.874 12.463 0.977 1.00 0.00 C ATOM 1671 CD GLU A 103 10.875 12.489 2.115 1.00 0.00 C ATOM 1672 OE1 GLU A 103 10.787 13.400 2.963 1.00 0.00 O ATOM 1673 OE2 GLU A 103 11.748 11.596 2.159 1.00 0.00 O ATOM 0 H GLU A 103 6.351 10.057 1.152 1.00 0.00 H new ATOM 0 HA GLU A 103 8.813 10.573 -0.413 1.00 0.00 H new ATOM 0 HB2 GLU A 103 7.745 12.454 1.204 1.00 0.00 H new ATOM 0 HB3 GLU A 103 8.600 11.518 2.415 1.00 0.00 H new ATOM 0 HG2 GLU A 103 10.318 11.958 0.119 1.00 0.00 H new ATOM 0 HG3 GLU A 103 9.655 13.485 0.668 1.00 0.00 H new ATOM 1680 N TRP A 104 10.185 9.057 1.175 1.00 0.00 N ATOM 1681 CA TRP A 104 10.810 7.918 1.848 1.00 0.00 C ATOM 1682 C TRP A 104 10.844 8.151 3.356 1.00 0.00 C ATOM 1683 O TRP A 104 11.641 8.944 3.856 1.00 0.00 O ATOM 1684 CB TRP A 104 12.240 7.666 1.325 1.00 0.00 C ATOM 1685 CG TRP A 104 12.582 8.413 0.069 1.00 0.00 C ATOM 1686 CD1 TRP A 104 11.889 8.403 -1.108 1.00 0.00 C ATOM 1687 CD2 TRP A 104 13.703 9.282 -0.133 1.00 0.00 C ATOM 1688 NE1 TRP A 104 12.512 9.212 -2.029 1.00 0.00 N ATOM 1689 CE2 TRP A 104 13.627 9.762 -1.454 1.00 0.00 C ATOM 1690 CE3 TRP A 104 14.763 9.700 0.677 1.00 0.00 C ATOM 1691 CZ2 TRP A 104 14.571 10.639 -1.983 1.00 0.00 C ATOM 1692 CZ3 TRP A 104 15.700 10.570 0.150 1.00 0.00 C ATOM 1693 CH2 TRP A 104 15.598 11.032 -1.168 1.00 0.00 C ATOM 0 H TRP A 104 10.823 9.638 0.631 1.00 0.00 H new ATOM 0 HA TRP A 104 10.210 7.035 1.630 1.00 0.00 H new ATOM 0 HB2 TRP A 104 12.952 7.942 2.103 1.00 0.00 H new ATOM 0 HB3 TRP A 104 12.364 6.598 1.144 1.00 0.00 H new ATOM 0 HD1 TRP A 104 10.984 7.842 -1.289 1.00 0.00 H new ATOM 0 HE1 TRP A 104 12.195 9.376 -2.985 1.00 0.00 H new ATOM 0 HE3 TRP A 104 14.849 9.350 1.695 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 14.495 10.996 -2.999 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 16.524 10.899 0.765 1.00 0.00 H new ATOM 0 HH2 TRP A 104 16.345 11.712 -1.549 1.00 0.00 H new ATOM 1704 N MET A 105 9.975 7.445 4.074 1.00 0.00 N ATOM 1705 CA MET A 105 9.902 7.560 5.529 1.00 0.00 C ATOM 1706 C MET A 105 10.161 6.213 6.195 1.00 0.00 C ATOM 1707 O MET A 105 10.075 5.168 5.554 1.00 0.00 O ATOM 1708 CB MET A 105 8.540 8.109 5.960 1.00 0.00 C ATOM 1709 CG MET A 105 7.356 7.407 5.312 1.00 0.00 C ATOM 1710 SD MET A 105 6.242 8.550 4.472 1.00 0.00 S ATOM 1711 CE MET A 105 4.751 8.343 5.443 1.00 0.00 C ATOM 0 H MET A 105 9.309 6.785 3.671 1.00 0.00 H new ATOM 0 HA MET A 105 10.676 8.257 5.849 1.00 0.00 H new ATOM 0 HB2 MET A 105 8.452 8.023 7.043 1.00 0.00 H new ATOM 0 HB3 MET A 105 8.495 9.171 5.720 1.00 0.00 H new ATOM 0 HG2 MET A 105 7.723 6.672 4.596 1.00 0.00 H new ATOM 0 HG3 MET A 105 6.801 6.860 6.075 1.00 0.00 H new ATOM 0 HE1 MET A 105 3.954 7.955 4.808 1.00 0.00 H new ATOM 0 HE2 MET A 105 4.941 7.642 6.256 1.00 0.00 H new ATOM 0 HE3 MET A 105 4.450 9.305 5.857 1.00 0.00 H new ATOM 1721 N SER A 106 10.461 6.242 7.490 1.00 0.00 N ATOM 1722 CA SER A 106 10.714 5.017 8.239 1.00 0.00 C ATOM 1723 C SER A 106 9.407 4.269 8.494 1.00 0.00 C ATOM 1724 O SER A 106 8.527 4.763 9.200 1.00 0.00 O ATOM 1725 CB SER A 106 11.402 5.336 9.567 1.00 0.00 C ATOM 1726 OG SER A 106 12.157 4.230 10.030 1.00 0.00 O ATOM 0 H SER A 106 10.535 7.098 8.040 1.00 0.00 H new ATOM 0 HA SER A 106 11.372 4.382 7.646 1.00 0.00 H new ATOM 0 HB2 SER A 106 12.055 6.200 9.443 1.00 0.00 H new ATOM 0 HB3 SER A 106 10.654 5.607 10.312 1.00 0.00 H new ATOM 0 HG SER A 106 12.588 4.461 10.879 1.00 0.00 H new ATOM 1732 N LEU A 107 9.283 3.081 7.910 1.00 0.00 N ATOM 1733 CA LEU A 107 8.078 2.272 8.071 1.00 0.00 C ATOM 1734 C LEU A 107 7.965 1.711 9.487 1.00 0.00 C ATOM 1735 O LEU A 107 6.886 1.307 9.918 1.00 0.00 O ATOM 1736 CB LEU A 107 8.059 1.132 7.051 1.00 0.00 C ATOM 1737 CG LEU A 107 6.725 0.937 6.330 1.00 0.00 C ATOM 1738 CD1 LEU A 107 5.667 0.424 7.293 1.00 0.00 C ATOM 1739 CD2 LEU A 107 6.274 2.238 5.683 1.00 0.00 C ATOM 0 H LEU A 107 10.000 2.657 7.322 1.00 0.00 H new ATOM 0 HA LEU A 107 7.220 2.921 7.897 1.00 0.00 H new ATOM 0 HB2 LEU A 107 8.834 1.316 6.307 1.00 0.00 H new ATOM 0 HB3 LEU A 107 8.320 0.204 7.560 1.00 0.00 H new ATOM 0 HG LEU A 107 6.863 0.193 5.546 1.00 0.00 H new ATOM 0 HD11 LEU A 107 4.725 0.291 6.761 1.00 0.00 H new ATOM 0 HD12 LEU A 107 5.986 -0.531 7.709 1.00 0.00 H new ATOM 0 HD13 LEU A 107 5.530 1.144 8.100 1.00 0.00 H new ATOM 0 HD21 LEU A 107 5.323 2.081 5.174 1.00 0.00 H new ATOM 0 HD22 LEU A 107 6.153 3.003 6.450 1.00 0.00 H new ATOM 0 HD23 LEU A 107 7.022 2.564 4.961 1.00 0.00 H new ATOM 1751 N VAL A 108 9.083 1.691 10.209 1.00 0.00 N ATOM 1752 CA VAL A 108 9.102 1.181 11.576 1.00 0.00 C ATOM 1753 C VAL A 108 8.141 1.953 12.482 1.00 0.00 C ATOM 1754 O VAL A 108 7.855 1.524 13.600 1.00 0.00 O ATOM 1755 CB VAL A 108 10.518 1.248 12.178 1.00 0.00 C ATOM 1756 CG1 VAL A 108 10.564 0.532 13.520 1.00 0.00 C ATOM 1757 CG2 VAL A 108 11.537 0.656 11.216 1.00 0.00 C ATOM 0 H VAL A 108 9.986 2.022 9.870 1.00 0.00 H new ATOM 0 HA VAL A 108 8.780 0.141 11.522 1.00 0.00 H new ATOM 0 HB VAL A 108 10.772 2.295 12.342 1.00 0.00 H new ATOM 0 HG11 VAL A 108 11.573 0.590 13.929 1.00 0.00 H new ATOM 0 HG12 VAL A 108 9.865 1.006 14.209 1.00 0.00 H new ATOM 0 HG13 VAL A 108 10.288 -0.514 13.384 1.00 0.00 H new ATOM 0 HG21 VAL A 108 12.531 0.712 11.659 1.00 0.00 H new ATOM 0 HG22 VAL A 108 11.287 -0.386 11.017 1.00 0.00 H new ATOM 0 HG23 VAL A 108 11.524 1.217 10.282 1.00 0.00 H new ATOM 1767 N GLY A 109 7.643 3.088 11.997 1.00 0.00 N ATOM 1768 CA GLY A 109 6.723 3.888 12.779 1.00 0.00 C ATOM 1769 C GLY A 109 5.573 4.410 11.944 1.00 0.00 C ATOM 1770 O GLY A 109 5.304 5.611 11.921 1.00 0.00 O ATOM 0 H GLY A 109 7.862 3.466 11.075 1.00 0.00 H new ATOM 0 HA2 GLY A 109 6.331 3.290 13.601 1.00 0.00 H new ATOM 0 HA3 GLY A 109 7.259 4.727 13.222 1.00 0.00 H new ATOM 1774 N LEU A 110 4.896 3.500 11.253 1.00 0.00 N ATOM 1775 CA LEU A 110 3.767 3.864 10.401 1.00 0.00 C ATOM 1776 C LEU A 110 2.643 4.482 11.227 1.00 0.00 C ATOM 1777 O LEU A 110 2.487 4.179 12.409 1.00 0.00 O ATOM 1778 CB LEU A 110 3.251 2.639 9.647 1.00 0.00 C ATOM 1779 CG LEU A 110 2.039 2.899 8.753 1.00 0.00 C ATOM 1780 CD1 LEU A 110 2.174 2.150 7.436 1.00 0.00 C ATOM 1781 CD2 LEU A 110 0.757 2.501 9.468 1.00 0.00 C ATOM 0 H LEU A 110 5.109 2.503 11.265 1.00 0.00 H new ATOM 0 HA LEU A 110 4.112 4.603 9.678 1.00 0.00 H new ATOM 0 HB2 LEU A 110 4.059 2.241 9.033 1.00 0.00 H new ATOM 0 HB3 LEU A 110 2.991 1.867 10.371 1.00 0.00 H new ATOM 0 HG LEU A 110 1.994 3.966 8.535 1.00 0.00 H new ATOM 0 HD11 LEU A 110 1.301 2.348 6.814 1.00 0.00 H new ATOM 0 HD12 LEU A 110 3.073 2.484 6.918 1.00 0.00 H new ATOM 0 HD13 LEU A 110 2.245 1.080 7.632 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -0.097 2.692 8.818 1.00 0.00 H new ATOM 0 HD22 LEU A 110 0.793 1.440 9.716 1.00 0.00 H new ATOM 0 HD23 LEU A 110 0.654 3.085 10.383 1.00 0.00 H new ATOM 1793 N ASN A 111 1.877 5.371 10.600 1.00 0.00 N ATOM 1794 CA ASN A 111 0.785 6.057 11.282 1.00 0.00 C ATOM 1795 C ASN A 111 -0.568 5.402 11.038 1.00 0.00 C ATOM 1796 O ASN A 111 -1.226 5.665 10.032 1.00 0.00 O ATOM 1797 CB ASN A 111 0.734 7.522 10.845 1.00 0.00 C ATOM 1798 CG ASN A 111 0.314 8.446 11.972 1.00 0.00 C ATOM 1799 OD1 ASN A 111 -0.584 8.126 12.750 1.00 0.00 O ATOM 1800 ND2 ASN A 111 0.962 9.602 12.062 1.00 0.00 N ATOM 0 H ASN A 111 1.993 5.633 9.621 1.00 0.00 H new ATOM 0 HA ASN A 111 0.988 5.990 12.351 1.00 0.00 H new ATOM 0 HB2 ASN A 111 1.715 7.823 10.478 1.00 0.00 H new ATOM 0 HB3 ASN A 111 0.037 7.627 10.014 1.00 0.00 H new ATOM 0 HD21 ASN A 111 0.721 10.266 12.798 1.00 0.00 H new ATOM 0 HD22 ASN A 111 1.700 9.826 11.395 1.00 0.00 H new ATOM 1807 N ALA A 112 -0.997 4.573 11.989 1.00 0.00 N ATOM 1808 CA ALA A 112 -2.295 3.916 11.894 1.00 0.00 C ATOM 1809 C ALA A 112 -3.414 4.932 12.136 1.00 0.00 C ATOM 1810 O ALA A 112 -4.564 4.713 11.757 1.00 0.00 O ATOM 1811 CB ALA A 112 -2.395 2.769 12.892 1.00 0.00 C ATOM 0 H ALA A 112 -0.466 4.343 12.829 1.00 0.00 H new ATOM 0 HA ALA A 112 -2.402 3.503 10.891 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -3.372 2.294 12.803 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -1.615 2.037 12.684 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -2.270 3.155 13.904 1.00 0.00 H new ATOM 1817 N ASP A 113 -3.062 6.045 12.778 1.00 0.00 N ATOM 1818 CA ASP A 113 -4.020 7.105 13.073 1.00 0.00 C ATOM 1819 C ASP A 113 -4.278 7.975 11.843 1.00 0.00 C ATOM 1820 O ASP A 113 -5.424 8.302 11.532 1.00 0.00 O ATOM 1821 CB ASP A 113 -3.511 7.972 14.226 1.00 0.00 C ATOM 1822 CG ASP A 113 -4.629 8.433 15.140 1.00 0.00 C ATOM 1823 OD1 ASP A 113 -5.344 9.388 14.770 1.00 0.00 O ATOM 1824 OD2 ASP A 113 -4.790 7.838 16.227 1.00 0.00 O ATOM 0 H ASP A 113 -2.115 6.235 13.105 1.00 0.00 H new ATOM 0 HA ASP A 113 -4.960 6.636 13.363 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -2.781 7.408 14.806 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -2.994 8.842 13.822 1.00 0.00 H new ATOM 1829 N ASP A 114 -3.202 8.356 11.155 1.00 0.00 N ATOM 1830 CA ASP A 114 -3.309 9.200 9.966 1.00 0.00 C ATOM 1831 C ASP A 114 -4.008 8.466 8.828 1.00 0.00 C ATOM 1832 O ASP A 114 -4.828 9.044 8.116 1.00 0.00 O ATOM 1833 CB ASP A 114 -1.923 9.660 9.516 1.00 0.00 C ATOM 1834 CG ASP A 114 -1.743 11.160 9.640 1.00 0.00 C ATOM 1835 OD1 ASP A 114 -2.700 11.902 9.332 1.00 0.00 O ATOM 1836 OD2 ASP A 114 -0.644 11.594 10.045 1.00 0.00 O ATOM 0 H ASP A 114 -2.247 8.094 11.401 1.00 0.00 H new ATOM 0 HA ASP A 114 -3.909 10.072 10.228 1.00 0.00 H new ATOM 0 HB2 ASP A 114 -1.164 9.155 10.114 1.00 0.00 H new ATOM 0 HB3 ASP A 114 -1.763 9.362 8.480 1.00 0.00 H new ATOM 1841 N PHE A 115 -3.684 7.190 8.666 1.00 0.00 N ATOM 1842 CA PHE A 115 -4.289 6.380 7.619 1.00 0.00 C ATOM 1843 C PHE A 115 -5.694 5.949 8.055 1.00 0.00 C ATOM 1844 O PHE A 115 -6.099 6.226 9.183 1.00 0.00 O ATOM 1845 CB PHE A 115 -3.375 5.182 7.299 1.00 0.00 C ATOM 1846 CG PHE A 115 -3.805 3.873 7.893 1.00 0.00 C ATOM 1847 CD1 PHE A 115 -4.159 3.796 9.224 1.00 0.00 C ATOM 1848 CD2 PHE A 115 -3.839 2.721 7.124 1.00 0.00 C ATOM 1849 CE1 PHE A 115 -4.542 2.597 9.785 1.00 0.00 C ATOM 1850 CE2 PHE A 115 -4.223 1.518 7.678 1.00 0.00 C ATOM 1851 CZ PHE A 115 -4.574 1.456 9.010 1.00 0.00 C ATOM 0 H PHE A 115 -3.006 6.695 9.246 1.00 0.00 H new ATOM 0 HA PHE A 115 -4.396 6.959 6.702 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -3.316 5.069 6.216 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -2.369 5.409 7.651 1.00 0.00 H new ATOM 0 HD1 PHE A 115 -4.136 4.687 9.834 1.00 0.00 H new ATOM 0 HD2 PHE A 115 -3.562 2.766 6.081 1.00 0.00 H new ATOM 0 HE1 PHE A 115 -4.816 2.551 10.829 1.00 0.00 H new ATOM 0 HE2 PHE A 115 -4.249 0.626 7.070 1.00 0.00 H new ATOM 0 HZ PHE A 115 -4.874 0.515 9.446 1.00 0.00 H new ATOM 1861 N PRO A 116 -6.471 5.289 7.179 1.00 0.00 N ATOM 1862 CA PRO A 116 -7.833 4.868 7.518 1.00 0.00 C ATOM 1863 C PRO A 116 -7.881 4.036 8.800 1.00 0.00 C ATOM 1864 O PRO A 116 -7.149 3.056 8.941 1.00 0.00 O ATOM 1865 CB PRO A 116 -8.275 4.026 6.310 1.00 0.00 C ATOM 1866 CG PRO A 116 -7.034 3.773 5.518 1.00 0.00 C ATOM 1867 CD PRO A 116 -6.113 4.923 5.802 1.00 0.00 C ATOM 0 HA PRO A 116 -8.482 5.723 7.708 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -8.732 3.090 6.631 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -9.018 4.556 5.714 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -6.575 2.827 5.805 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -7.258 3.708 4.453 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -5.065 4.633 5.719 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -6.271 5.749 5.109 1.00 0.00 H new ATOM 1875 N PRO A 117 -8.747 4.425 9.760 1.00 0.00 N ATOM 1876 CA PRO A 117 -8.883 3.716 11.040 1.00 0.00 C ATOM 1877 C PRO A 117 -9.510 2.337 10.879 1.00 0.00 C ATOM 1878 O PRO A 117 -9.151 1.396 11.584 1.00 0.00 O ATOM 1879 CB PRO A 117 -9.802 4.627 11.858 1.00 0.00 C ATOM 1880 CG PRO A 117 -10.579 5.389 10.844 1.00 0.00 C ATOM 1881 CD PRO A 117 -9.653 5.587 9.677 1.00 0.00 C ATOM 0 HA PRO A 117 -7.915 3.534 11.506 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -10.459 4.047 12.506 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -9.228 5.295 12.501 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -11.473 4.841 10.545 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -10.911 6.346 11.245 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -10.196 5.607 8.732 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -9.108 6.528 9.751 1.00 0.00 H new ATOM 1889 N ALA A 118 -10.445 2.221 9.944 1.00 0.00 N ATOM 1890 CA ALA A 118 -11.114 0.950 9.693 1.00 0.00 C ATOM 1891 C ALA A 118 -10.186 -0.032 8.991 1.00 0.00 C ATOM 1892 O ALA A 118 -10.505 -1.212 8.844 1.00 0.00 O ATOM 1893 CB ALA A 118 -12.380 1.170 8.880 1.00 0.00 C ATOM 0 H ALA A 118 -10.757 2.988 9.349 1.00 0.00 H new ATOM 0 HA ALA A 118 -11.389 0.516 10.654 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -12.868 0.212 8.701 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -13.056 1.825 9.430 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -12.124 1.631 7.926 1.00 0.00 H new ATOM 1899 N ASN A 119 -9.041 0.468 8.558 1.00 0.00 N ATOM 1900 CA ASN A 119 -8.054 -0.340 7.867 1.00 0.00 C ATOM 1901 C ASN A 119 -6.880 -0.676 8.794 1.00 0.00 C ATOM 1902 O ASN A 119 -5.790 -1.016 8.334 1.00 0.00 O ATOM 1903 CB ASN A 119 -7.569 0.443 6.653 1.00 0.00 C ATOM 1904 CG ASN A 119 -8.452 0.235 5.435 1.00 0.00 C ATOM 1905 OD1 ASN A 119 -9.393 -0.559 5.463 1.00 0.00 O ATOM 1906 ND2 ASN A 119 -8.162 0.958 4.359 1.00 0.00 N ATOM 0 H ASN A 119 -8.771 1.444 8.676 1.00 0.00 H new ATOM 0 HA ASN A 119 -8.501 -1.283 7.552 1.00 0.00 H new ATOM 0 HB2 ASN A 119 -7.538 1.505 6.898 1.00 0.00 H new ATOM 0 HB3 ASN A 119 -6.549 0.141 6.414 1.00 0.00 H new ATOM 0 HD21 ASN A 119 -8.728 0.866 3.515 1.00 0.00 H new ATOM 0 HD22 ASN A 119 -7.374 1.605 4.377 1.00 0.00 H new ATOM 1913 N GLU A 120 -7.118 -0.562 10.103 1.00 0.00 N ATOM 1914 CA GLU A 120 -6.096 -0.826 11.119 1.00 0.00 C ATOM 1915 C GLU A 120 -5.806 -2.317 11.328 1.00 0.00 C ATOM 1916 O GLU A 120 -4.692 -2.669 11.699 1.00 0.00 O ATOM 1917 CB GLU A 120 -6.491 -0.183 12.451 1.00 0.00 C ATOM 1918 CG GLU A 120 -5.476 0.829 12.958 1.00 0.00 C ATOM 1919 CD GLU A 120 -5.554 1.032 14.458 1.00 0.00 C ATOM 1920 OE1 GLU A 120 -6.509 1.691 14.920 1.00 0.00 O ATOM 1921 OE2 GLU A 120 -4.661 0.531 15.172 1.00 0.00 O ATOM 0 H GLU A 120 -8.021 -0.285 10.487 1.00 0.00 H new ATOM 0 HA GLU A 120 -5.176 -0.379 10.743 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -7.457 0.309 12.336 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -6.618 -0.965 13.200 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -4.473 0.496 12.692 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -5.639 1.783 12.457 1.00 0.00 H new ATOM 1928 N PRO A 121 -6.786 -3.222 11.135 1.00 0.00 N ATOM 1929 CA PRO A 121 -6.571 -4.657 11.357 1.00 0.00 C ATOM 1930 C PRO A 121 -5.237 -5.160 10.800 1.00 0.00 C ATOM 1931 O PRO A 121 -4.586 -6.007 11.412 1.00 0.00 O ATOM 1932 CB PRO A 121 -7.744 -5.290 10.615 1.00 0.00 C ATOM 1933 CG PRO A 121 -8.840 -4.289 10.743 1.00 0.00 C ATOM 1934 CD PRO A 121 -8.176 -2.934 10.725 1.00 0.00 C ATOM 0 HA PRO A 121 -6.525 -4.905 12.417 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -7.498 -5.480 9.570 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -8.025 -6.247 11.056 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -9.552 -4.385 9.923 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -9.397 -4.437 11.668 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -8.216 -2.481 9.734 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -8.661 -2.241 11.412 1.00 0.00 H new ATOM 1942 N VAL A 122 -4.819 -4.621 9.661 1.00 0.00 N ATOM 1943 CA VAL A 122 -3.547 -5.010 9.063 1.00 0.00 C ATOM 1944 C VAL A 122 -2.394 -4.332 9.789 1.00 0.00 C ATOM 1945 O VAL A 122 -1.421 -4.974 10.184 1.00 0.00 O ATOM 1946 CB VAL A 122 -3.465 -4.638 7.570 1.00 0.00 C ATOM 1947 CG1 VAL A 122 -2.202 -5.216 6.950 1.00 0.00 C ATOM 1948 CG2 VAL A 122 -4.700 -5.114 6.824 1.00 0.00 C ATOM 0 H VAL A 122 -5.338 -3.918 9.135 1.00 0.00 H new ATOM 0 HA VAL A 122 -3.477 -6.094 9.156 1.00 0.00 H new ATOM 0 HB VAL A 122 -3.423 -3.552 7.488 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -2.158 -4.945 5.895 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -1.328 -4.816 7.464 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -2.214 -6.302 7.046 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -4.618 -4.839 5.772 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -4.782 -6.197 6.911 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -5.587 -4.647 7.253 1.00 0.00 H new ATOM 1958 N ILE A 123 -2.518 -3.019 9.949 1.00 0.00 N ATOM 1959 CA ILE A 123 -1.500 -2.221 10.613 1.00 0.00 C ATOM 1960 C ILE A 123 -1.346 -2.610 12.078 1.00 0.00 C ATOM 1961 O ILE A 123 -0.250 -2.564 12.623 1.00 0.00 O ATOM 1962 CB ILE A 123 -1.826 -0.719 10.509 1.00 0.00 C ATOM 1963 CG1 ILE A 123 -1.941 -0.313 9.044 1.00 0.00 C ATOM 1964 CG2 ILE A 123 -0.757 0.110 11.199 1.00 0.00 C ATOM 1965 CD1 ILE A 123 -0.649 -0.491 8.281 1.00 0.00 C ATOM 0 H ILE A 123 -3.322 -2.483 9.624 1.00 0.00 H new ATOM 0 HA ILE A 123 -0.557 -2.420 10.104 1.00 0.00 H new ATOM 0 HB ILE A 123 -2.778 -0.534 11.007 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -2.722 -0.906 8.568 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -2.251 0.730 8.985 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -1.006 1.168 11.114 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -0.705 -0.167 12.252 1.00 0.00 H new ATOM 0 HG23 ILE A 123 0.208 -0.075 10.727 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -0.793 -0.186 7.245 1.00 0.00 H new ATOM 0 HD12 ILE A 123 0.129 0.123 8.735 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -0.349 -1.539 8.312 1.00 0.00 H new ATOM 1977 N ALA A 124 -2.442 -2.997 12.713 1.00 0.00 N ATOM 1978 CA ALA A 124 -2.402 -3.395 14.112 1.00 0.00 C ATOM 1979 C ALA A 124 -1.376 -4.502 14.326 1.00 0.00 C ATOM 1980 O ALA A 124 -0.815 -4.645 15.412 1.00 0.00 O ATOM 1981 CB ALA A 124 -3.779 -3.849 14.575 1.00 0.00 C ATOM 0 H ALA A 124 -3.366 -3.044 12.284 1.00 0.00 H new ATOM 0 HA ALA A 124 -2.104 -2.531 14.706 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -3.732 -4.143 15.623 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -4.490 -3.031 14.460 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -4.103 -4.699 13.974 1.00 0.00 H new ATOM 1987 N LYS A 125 -1.138 -5.285 13.276 1.00 0.00 N ATOM 1988 CA LYS A 125 -0.178 -6.383 13.345 1.00 0.00 C ATOM 1989 C LYS A 125 1.261 -5.888 13.190 1.00 0.00 C ATOM 1990 O LYS A 125 2.132 -6.225 13.991 1.00 0.00 O ATOM 1991 CB LYS A 125 -0.488 -7.422 12.266 1.00 0.00 C ATOM 1992 CG LYS A 125 -0.013 -8.823 12.615 1.00 0.00 C ATOM 1993 CD LYS A 125 -1.040 -9.567 13.452 1.00 0.00 C ATOM 1994 CE LYS A 125 -1.054 -11.052 13.127 1.00 0.00 C ATOM 1995 NZ LYS A 125 -1.995 -11.369 12.017 1.00 0.00 N ATOM 0 H LYS A 125 -1.595 -5.180 12.370 1.00 0.00 H new ATOM 0 HA LYS A 125 -0.271 -6.840 14.330 1.00 0.00 H new ATOM 0 HB2 LYS A 125 -1.564 -7.445 12.094 1.00 0.00 H new ATOM 0 HB3 LYS A 125 -0.022 -7.112 11.331 1.00 0.00 H new ATOM 0 HG2 LYS A 125 0.184 -9.380 11.699 1.00 0.00 H new ATOM 0 HG3 LYS A 125 0.929 -8.764 13.161 1.00 0.00 H new ATOM 0 HD2 LYS A 125 -0.819 -9.427 14.510 1.00 0.00 H new ATOM 0 HD3 LYS A 125 -2.029 -9.145 13.275 1.00 0.00 H new ATOM 0 HE2 LYS A 125 -0.049 -11.373 12.854 1.00 0.00 H new ATOM 0 HE3 LYS A 125 -1.338 -11.615 14.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 -2.355 -12.338 12.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 -2.791 -10.700 12.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 -1.497 -11.291 11.107 1.00 0.00 H new ATOM 2009 N LEU A 126 1.507 -5.098 12.147 1.00 0.00 N ATOM 2010 CA LEU A 126 2.842 -4.570 11.876 1.00 0.00 C ATOM 2011 C LEU A 126 3.178 -3.391 12.783 1.00 0.00 C ATOM 2012 O LEU A 126 4.307 -3.262 13.256 1.00 0.00 O ATOM 2013 CB LEU A 126 2.951 -4.138 10.413 1.00 0.00 C ATOM 2014 CG LEU A 126 4.379 -3.987 9.883 1.00 0.00 C ATOM 2015 CD1 LEU A 126 5.052 -2.772 10.504 1.00 0.00 C ATOM 2016 CD2 LEU A 126 5.190 -5.248 10.157 1.00 0.00 C ATOM 0 H LEU A 126 0.797 -4.809 11.474 1.00 0.00 H new ATOM 0 HA LEU A 126 3.557 -5.368 12.079 1.00 0.00 H new ATOM 0 HB2 LEU A 126 2.426 -4.867 9.795 1.00 0.00 H new ATOM 0 HB3 LEU A 126 2.433 -3.187 10.292 1.00 0.00 H new ATOM 0 HG LEU A 126 4.331 -3.840 8.804 1.00 0.00 H new ATOM 0 HD11 LEU A 126 6.066 -2.680 10.116 1.00 0.00 H new ATOM 0 HD12 LEU A 126 4.485 -1.875 10.255 1.00 0.00 H new ATOM 0 HD13 LEU A 126 5.087 -2.889 11.587 1.00 0.00 H new ATOM 0 HD21 LEU A 126 6.202 -5.120 9.773 1.00 0.00 H new ATOM 0 HD22 LEU A 126 5.230 -5.429 11.231 1.00 0.00 H new ATOM 0 HD23 LEU A 126 4.719 -6.098 9.663 1.00 0.00 H new ATOM 2028 N LYS A 127 2.197 -2.530 13.013 1.00 0.00 N ATOM 2029 CA LYS A 127 2.382 -1.352 13.855 1.00 0.00 C ATOM 2030 C LYS A 127 2.946 -1.733 15.213 1.00 0.00 C ATOM 2031 O LYS A 127 3.852 -1.079 15.729 1.00 0.00 O ATOM 2032 CB LYS A 127 1.056 -0.636 14.039 1.00 0.00 C ATOM 2033 CG LYS A 127 1.114 0.531 15.009 1.00 0.00 C ATOM 2034 CD LYS A 127 -0.173 1.340 14.986 1.00 0.00 C ATOM 2035 CE LYS A 127 -0.513 1.885 16.363 1.00 0.00 C ATOM 2036 NZ LYS A 127 -1.207 0.873 17.206 1.00 0.00 N ATOM 0 H LYS A 127 1.258 -2.625 12.626 1.00 0.00 H new ATOM 0 HA LYS A 127 3.092 -0.690 13.360 1.00 0.00 H new ATOM 0 HB2 LYS A 127 0.713 -0.273 13.070 1.00 0.00 H new ATOM 0 HB3 LYS A 127 0.314 -1.352 14.392 1.00 0.00 H new ATOM 0 HG2 LYS A 127 1.293 0.158 16.018 1.00 0.00 H new ATOM 0 HG3 LYS A 127 1.955 1.176 14.754 1.00 0.00 H new ATOM 0 HD2 LYS A 127 -0.072 2.166 14.281 1.00 0.00 H new ATOM 0 HD3 LYS A 127 -0.991 0.714 14.629 1.00 0.00 H new ATOM 0 HE2 LYS A 127 0.401 2.207 16.862 1.00 0.00 H new ATOM 0 HE3 LYS A 127 -1.146 2.766 16.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 -1.421 1.285 18.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 -2.092 0.584 16.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 -0.593 0.043 17.328 1.00 0.00 H new ATOM 2050 N ARG A 128 2.416 -2.809 15.778 1.00 0.00 N ATOM 2051 CA ARG A 128 2.885 -3.290 17.066 1.00 0.00 C ATOM 2052 C ARG A 128 4.316 -3.801 16.939 1.00 0.00 C ATOM 2053 O ARG A 128 4.960 -4.128 17.935 1.00 0.00 O ATOM 2054 CB ARG A 128 1.970 -4.398 17.584 1.00 0.00 C ATOM 2055 CG ARG A 128 1.750 -4.351 19.089 1.00 0.00 C ATOM 2056 CD ARG A 128 0.274 -4.439 19.443 1.00 0.00 C ATOM 2057 NE ARG A 128 -0.411 -5.485 18.688 1.00 0.00 N ATOM 2058 CZ ARG A 128 -1.732 -5.542 18.529 1.00 0.00 C ATOM 2059 NH1 ARG A 128 -2.513 -4.616 19.072 1.00 0.00 N ATOM 2060 NH2 ARG A 128 -2.273 -6.526 17.824 1.00 0.00 N ATOM 0 H ARG A 128 1.665 -3.362 15.366 1.00 0.00 H new ATOM 0 HA ARG A 128 2.866 -2.466 17.779 1.00 0.00 H new ATOM 0 HB2 ARG A 128 1.005 -4.326 17.082 1.00 0.00 H new ATOM 0 HB3 ARG A 128 2.397 -5.365 17.317 1.00 0.00 H new ATOM 0 HG2 ARG A 128 2.287 -5.173 19.561 1.00 0.00 H new ATOM 0 HG3 ARG A 128 2.166 -3.426 19.489 1.00 0.00 H new ATOM 0 HD2 ARG A 128 0.169 -4.635 20.510 1.00 0.00 H new ATOM 0 HD3 ARG A 128 -0.203 -3.479 19.246 1.00 0.00 H new ATOM 0 HE ARG A 128 0.156 -6.215 18.257 1.00 0.00 H new ATOM 0 HH11 ARG A 128 -2.102 -3.856 19.614 1.00 0.00 H new ATOM 0 HH12 ARG A 128 -3.524 -4.664 18.947 1.00 0.00 H new ATOM 0 HH21 ARG A 128 -1.677 -7.239 17.403 1.00 0.00 H new ATOM 0 HH22 ARG A 128 -3.285 -6.570 17.702 1.00 0.00 H new ATOM 2074 N LEU A 129 4.809 -3.863 15.700 1.00 0.00 N ATOM 2075 CA LEU A 129 6.167 -4.330 15.435 1.00 0.00 C ATOM 2076 C LEU A 129 6.437 -5.663 16.128 1.00 0.00 C ATOM 2077 O LEU A 129 5.543 -6.248 16.740 1.00 0.00 O ATOM 2078 CB LEU A 129 7.185 -3.281 15.897 1.00 0.00 C ATOM 2079 CG LEU A 129 7.662 -2.312 14.811 1.00 0.00 C ATOM 2080 CD1 LEU A 129 6.483 -1.771 14.014 1.00 0.00 C ATOM 2081 CD2 LEU A 129 8.458 -1.171 15.431 1.00 0.00 C ATOM 0 H LEU A 129 4.286 -3.595 14.866 1.00 0.00 H new ATOM 0 HA LEU A 129 6.269 -4.480 14.360 1.00 0.00 H new ATOM 0 HB2 LEU A 129 6.744 -2.703 16.709 1.00 0.00 H new ATOM 0 HB3 LEU A 129 8.053 -3.797 16.308 1.00 0.00 H new ATOM 0 HG LEU A 129 8.312 -2.857 14.127 1.00 0.00 H new ATOM 0 HD11 LEU A 129 6.845 -1.085 13.248 1.00 0.00 H new ATOM 0 HD12 LEU A 129 5.955 -2.598 13.540 1.00 0.00 H new ATOM 0 HD13 LEU A 129 5.804 -1.242 14.683 1.00 0.00 H new ATOM 0 HD21 LEU A 129 8.790 -0.491 14.647 1.00 0.00 H new ATOM 0 HD22 LEU A 129 7.829 -0.630 16.138 1.00 0.00 H new ATOM 0 HD23 LEU A 129 9.326 -1.574 15.953 1.00 0.00 H new