USER MOD reduce.3.24.130724 H: found=0, std=0, add=971, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 973 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 79 HIS : no HE2:sc= -2.38 K(o=-2.8,f=-3.7!) USER MOD Set 1.2: A 81 THR OG1 : rot -170:sc= -0.37 USER MOD Set 2.1: A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 100 GLN : amide:sc= -0.28 K(o=-0.28,f=-1.6!) USER MOD Single : A 2 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.197) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc=-0.00195 X(o=-0.0019,f=0) USER MOD Single : A 13 ASN : amide:sc= -10.7! C(o=-11!,f=-17!) USER MOD Single : A 15 ASN : amide:sc= -2.89 K(o=-2.9,f=-4.8!) USER MOD Single : A 16 ASN : amide:sc= -2.17 K(o=-2.2,f=-4!) USER MOD Single : A 21 THR OG1 : rot 5:sc= 0.923 USER MOD Single : A 31 ASN : amide:sc= -2.24 X(o=-2.2,f=-2.5!) USER MOD Single : A 39 LYS NZ :NH3+ 157:sc= -1.12 (180deg=-2.06) USER MOD Single : A 42 MET CE :methyl 156:sc= -0.832 (180deg=-2.09!) USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.293 USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0.0166 USER MOD Single : A 63 GLN : amide:sc= -2.63 K(o=-2.6,f=-1.8) USER MOD Single : A 64 HIS : no HE2:sc= -20.3! C(o=-20!,f=-20!) USER MOD Single : A 66 SER OG : rot 104:sc= 0.461 USER MOD Single : A 70 LYS NZ :NH3+ -149:sc= 1.6 (180deg=0.856) USER MOD Single : A 73 TYR OH : rot 180:sc= -1.19 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 MET CE :methyl -165:sc= -0.437 (180deg=-0.825) USER MOD Single : A 106 SER OG : rot 37:sc= 0.201 USER MOD Single : A 111 ASN : amide:sc= -0.0331 X(o=-0.033,f=0) USER MOD Single : A 119 ASN : amide:sc= -0.426 K(o=-0.43,f=-2.8!) USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 LYS NZ :NH3+ -148:sc= -0.34 (180deg=-1.51!) USER MOD ----------------------------------------------------------------- ATOM 20 N LYS A 2 -21.626 -5.571 -1.593 1.00 0.00 N ATOM 21 CA LYS A 2 -20.515 -4.797 -2.139 1.00 0.00 C ATOM 22 C LYS A 2 -19.203 -5.565 -2.017 1.00 0.00 C ATOM 23 O LYS A 2 -18.980 -6.283 -1.042 1.00 0.00 O ATOM 24 CB LYS A 2 -20.402 -3.452 -1.420 1.00 0.00 C ATOM 25 CG LYS A 2 -19.978 -2.310 -2.329 1.00 0.00 C ATOM 26 CD LYS A 2 -19.208 -1.245 -1.565 1.00 0.00 C ATOM 27 CE LYS A 2 -17.710 -1.371 -1.789 1.00 0.00 C ATOM 28 NZ LYS A 2 -17.306 -0.881 -3.136 1.00 0.00 N ATOM 0 HA LYS A 2 -20.713 -4.621 -3.196 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -21.364 -3.208 -0.969 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -19.683 -3.544 -0.606 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -19.359 -2.698 -3.138 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -20.860 -1.863 -2.789 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -19.542 -0.257 -1.880 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -19.426 -1.330 -0.500 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -17.180 -0.805 -1.023 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -17.413 -2.414 -1.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -16.273 -0.760 -3.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -17.595 -1.572 -3.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -17.767 0.032 -3.326 1.00 0.00 H new ATOM 42 N LYS A 3 -18.338 -5.405 -3.012 1.00 0.00 N ATOM 43 CA LYS A 3 -17.045 -6.080 -3.020 1.00 0.00 C ATOM 44 C LYS A 3 -15.956 -5.151 -3.544 1.00 0.00 C ATOM 45 O LYS A 3 -16.111 -4.530 -4.596 1.00 0.00 O ATOM 46 CB LYS A 3 -17.111 -7.347 -3.874 1.00 0.00 C ATOM 47 CG LYS A 3 -17.364 -7.075 -5.349 1.00 0.00 C ATOM 48 CD LYS A 3 -17.350 -8.358 -6.163 1.00 0.00 C ATOM 49 CE LYS A 3 -15.931 -8.817 -6.456 1.00 0.00 C ATOM 50 NZ LYS A 3 -15.824 -9.479 -7.785 1.00 0.00 N ATOM 0 H LYS A 3 -18.509 -4.813 -3.825 1.00 0.00 H new ATOM 0 HA LYS A 3 -16.799 -6.359 -1.995 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -16.174 -7.895 -3.770 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -17.902 -7.992 -3.491 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -18.327 -6.578 -5.468 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -16.604 -6.393 -5.730 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -17.882 -9.140 -5.621 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -17.884 -8.201 -7.100 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -15.258 -7.960 -6.422 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -15.606 -9.509 -5.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -14.841 -9.777 -7.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -16.447 -10.312 -7.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -16.110 -8.811 -8.529 1.00 0.00 H new ATOM 64 N LEU A 4 -14.857 -5.056 -2.805 1.00 0.00 N ATOM 65 CA LEU A 4 -13.749 -4.196 -3.199 1.00 0.00 C ATOM 66 C LEU A 4 -12.405 -4.795 -2.786 1.00 0.00 C ATOM 67 O LEU A 4 -12.186 -5.106 -1.617 1.00 0.00 O ATOM 68 CB LEU A 4 -13.919 -2.808 -2.577 1.00 0.00 C ATOM 69 CG LEU A 4 -13.911 -2.778 -1.047 1.00 0.00 C ATOM 70 CD1 LEU A 4 -12.527 -2.421 -0.531 1.00 0.00 C ATOM 71 CD2 LEU A 4 -14.947 -1.793 -0.526 1.00 0.00 C ATOM 0 H LEU A 4 -14.710 -5.563 -1.932 1.00 0.00 H new ATOM 0 HA LEU A 4 -13.758 -4.110 -4.286 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -13.120 -2.163 -2.942 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -14.859 -2.382 -2.929 1.00 0.00 H new ATOM 0 HG LEU A 4 -14.170 -3.772 -0.681 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -12.538 -2.404 0.559 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -11.808 -3.164 -0.875 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -12.241 -1.438 -0.906 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -14.926 -1.786 0.564 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -14.720 -0.795 -0.900 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -15.938 -2.092 -0.868 1.00 0.00 H new ATOM 83 N GLN A 5 -11.513 -4.956 -3.759 1.00 0.00 N ATOM 84 CA GLN A 5 -10.190 -5.518 -3.504 1.00 0.00 C ATOM 85 C GLN A 5 -9.123 -4.434 -3.470 1.00 0.00 C ATOM 86 O GLN A 5 -9.248 -3.398 -4.123 1.00 0.00 O ATOM 87 CB GLN A 5 -9.828 -6.543 -4.573 1.00 0.00 C ATOM 88 CG GLN A 5 -10.980 -7.452 -4.950 1.00 0.00 C ATOM 89 CD GLN A 5 -10.590 -8.502 -5.971 1.00 0.00 C ATOM 90 OE1 GLN A 5 -9.722 -9.338 -5.718 1.00 0.00 O ATOM 91 NE2 GLN A 5 -11.230 -8.464 -7.134 1.00 0.00 N ATOM 0 H GLN A 5 -11.683 -4.705 -4.733 1.00 0.00 H new ATOM 0 HA GLN A 5 -10.227 -6.004 -2.529 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -9.481 -6.020 -5.464 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -8.997 -7.151 -4.216 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -11.356 -7.945 -4.054 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -11.797 -6.850 -5.349 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -11.943 -7.754 -7.301 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -11.009 -9.145 -7.860 1.00 0.00 H new ATOM 100 N ILE A 6 -8.067 -4.692 -2.712 1.00 0.00 N ATOM 101 CA ILE A 6 -6.959 -3.757 -2.586 1.00 0.00 C ATOM 102 C ILE A 6 -5.636 -4.500 -2.413 1.00 0.00 C ATOM 103 O ILE A 6 -5.494 -5.335 -1.520 1.00 0.00 O ATOM 104 CB ILE A 6 -7.163 -2.797 -1.395 1.00 0.00 C ATOM 105 CG1 ILE A 6 -8.287 -1.805 -1.700 1.00 0.00 C ATOM 106 CG2 ILE A 6 -5.872 -2.056 -1.066 1.00 0.00 C ATOM 107 CD1 ILE A 6 -9.538 -2.047 -0.887 1.00 0.00 C ATOM 0 H ILE A 6 -7.954 -5.549 -2.171 1.00 0.00 H new ATOM 0 HA ILE A 6 -6.928 -3.173 -3.506 1.00 0.00 H new ATOM 0 HB ILE A 6 -7.445 -3.388 -0.524 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -7.930 -0.793 -1.511 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -8.535 -1.862 -2.760 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -6.042 -1.386 -0.223 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -5.095 -2.776 -0.807 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -5.554 -1.476 -1.933 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -10.294 -1.308 -1.154 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -9.919 -3.047 -1.094 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -9.305 -1.961 0.174 1.00 0.00 H new ATOM 119 N ALA A 7 -4.666 -4.168 -3.254 1.00 0.00 N ATOM 120 CA ALA A 7 -3.347 -4.779 -3.176 1.00 0.00 C ATOM 121 C ALA A 7 -2.298 -3.695 -3.047 1.00 0.00 C ATOM 122 O ALA A 7 -2.254 -2.779 -3.857 1.00 0.00 O ATOM 123 CB ALA A 7 -3.069 -5.640 -4.397 1.00 0.00 C ATOM 0 H ALA A 7 -4.768 -3.478 -3.999 1.00 0.00 H new ATOM 0 HA ALA A 7 -3.313 -5.426 -2.299 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -2.077 -6.083 -4.311 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -3.816 -6.431 -4.462 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -3.114 -5.024 -5.295 1.00 0.00 H new ATOM 129 N VAL A 8 -1.464 -3.777 -2.029 1.00 0.00 N ATOM 130 CA VAL A 8 -0.445 -2.763 -1.837 1.00 0.00 C ATOM 131 C VAL A 8 0.845 -3.354 -1.288 1.00 0.00 C ATOM 132 O VAL A 8 0.862 -4.460 -0.747 1.00 0.00 O ATOM 133 CB VAL A 8 -0.945 -1.625 -0.909 1.00 0.00 C ATOM 134 CG1 VAL A 8 -2.443 -1.739 -0.658 1.00 0.00 C ATOM 135 CG2 VAL A 8 -0.184 -1.612 0.409 1.00 0.00 C ATOM 0 H VAL A 8 -1.470 -4.522 -1.332 1.00 0.00 H new ATOM 0 HA VAL A 8 -0.234 -2.342 -2.820 1.00 0.00 H new ATOM 0 HB VAL A 8 -0.755 -0.681 -1.419 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -2.765 -0.928 -0.004 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -2.977 -1.675 -1.606 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -2.661 -2.696 -0.183 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -0.558 -0.803 1.037 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -0.326 -2.564 0.921 1.00 0.00 H new ATOM 0 HG23 VAL A 8 0.878 -1.459 0.215 1.00 0.00 H new ATOM 145 N GLY A 9 1.921 -2.594 -1.428 1.00 0.00 N ATOM 146 CA GLY A 9 3.209 -3.028 -0.942 1.00 0.00 C ATOM 147 C GLY A 9 4.054 -1.862 -0.480 1.00 0.00 C ATOM 148 O GLY A 9 4.278 -0.914 -1.232 1.00 0.00 O ATOM 0 H GLY A 9 1.921 -1.677 -1.874 1.00 0.00 H new ATOM 0 HA2 GLY A 9 3.070 -3.726 -0.117 1.00 0.00 H new ATOM 0 HA3 GLY A 9 3.733 -3.567 -1.731 1.00 0.00 H new ATOM 152 N ILE A 10 4.529 -1.930 0.755 1.00 0.00 N ATOM 153 CA ILE A 10 5.360 -0.863 1.302 1.00 0.00 C ATOM 154 C ILE A 10 6.724 -0.884 0.624 1.00 0.00 C ATOM 155 O ILE A 10 7.504 -1.814 0.820 1.00 0.00 O ATOM 156 CB ILE A 10 5.550 -0.964 2.844 1.00 0.00 C ATOM 157 CG1 ILE A 10 4.807 -2.166 3.442 1.00 0.00 C ATOM 158 CG2 ILE A 10 5.091 0.323 3.518 1.00 0.00 C ATOM 159 CD1 ILE A 10 3.298 -2.057 3.353 1.00 0.00 C ATOM 0 H ILE A 10 4.356 -2.706 1.395 1.00 0.00 H new ATOM 0 HA ILE A 10 4.841 0.075 1.105 1.00 0.00 H new ATOM 0 HB ILE A 10 6.614 -1.112 3.030 1.00 0.00 H new ATOM 0 HG12 ILE A 10 5.128 -3.072 2.928 1.00 0.00 H new ATOM 0 HG13 ILE A 10 5.093 -2.275 4.488 1.00 0.00 H new ATOM 0 HG21 ILE A 10 5.229 0.239 4.596 1.00 0.00 H new ATOM 0 HG22 ILE A 10 5.678 1.160 3.141 1.00 0.00 H new ATOM 0 HG23 ILE A 10 4.037 0.492 3.300 1.00 0.00 H new ATOM 0 HD11 ILE A 10 2.842 -2.943 3.796 1.00 0.00 H new ATOM 0 HD12 ILE A 10 2.965 -1.170 3.892 1.00 0.00 H new ATOM 0 HD13 ILE A 10 3.000 -1.980 2.307 1.00 0.00 H new ATOM 171 N ILE A 11 7.002 0.136 -0.188 1.00 0.00 N ATOM 172 CA ILE A 11 8.273 0.204 -0.907 1.00 0.00 C ATOM 173 C ILE A 11 9.429 0.511 0.031 1.00 0.00 C ATOM 174 O ILE A 11 9.408 1.494 0.764 1.00 0.00 O ATOM 175 CB ILE A 11 8.270 1.239 -2.055 1.00 0.00 C ATOM 176 CG1 ILE A 11 6.845 1.641 -2.445 1.00 0.00 C ATOM 177 CG2 ILE A 11 9.004 0.664 -3.260 1.00 0.00 C ATOM 178 CD1 ILE A 11 6.762 2.302 -3.802 1.00 0.00 C ATOM 0 H ILE A 11 6.371 0.918 -0.363 1.00 0.00 H new ATOM 0 HA ILE A 11 8.406 -0.785 -1.346 1.00 0.00 H new ATOM 0 HB ILE A 11 8.782 2.137 -1.708 1.00 0.00 H new ATOM 0 HG12 ILE A 11 6.210 0.755 -2.441 1.00 0.00 H new ATOM 0 HG13 ILE A 11 6.448 2.321 -1.692 1.00 0.00 H new ATOM 0 HG21 ILE A 11 9.002 1.394 -4.070 1.00 0.00 H new ATOM 0 HG22 ILE A 11 10.032 0.432 -2.983 1.00 0.00 H new ATOM 0 HG23 ILE A 11 8.503 -0.246 -3.591 1.00 0.00 H new ATOM 0 HD11 ILE A 11 5.726 2.562 -4.017 1.00 0.00 H new ATOM 0 HD12 ILE A 11 7.371 3.206 -3.804 1.00 0.00 H new ATOM 0 HD13 ILE A 11 7.130 1.615 -4.564 1.00 0.00 H new ATOM 190 N ARG A 12 10.436 -0.349 -0.003 1.00 0.00 N ATOM 191 CA ARG A 12 11.617 -0.195 0.845 1.00 0.00 C ATOM 192 C ARG A 12 12.695 0.616 0.144 1.00 0.00 C ATOM 193 O ARG A 12 13.198 0.205 -0.904 1.00 0.00 O ATOM 194 CB ARG A 12 12.189 -1.566 1.219 1.00 0.00 C ATOM 195 CG ARG A 12 11.845 -2.020 2.628 1.00 0.00 C ATOM 196 CD ARG A 12 13.092 -2.199 3.481 1.00 0.00 C ATOM 197 NE ARG A 12 13.619 -3.560 3.398 1.00 0.00 N ATOM 198 CZ ARG A 12 14.446 -4.090 4.296 1.00 0.00 C ATOM 199 NH1 ARG A 12 14.845 -3.380 5.345 1.00 0.00 N ATOM 200 NH2 ARG A 12 14.875 -5.336 4.146 1.00 0.00 N ATOM 0 H ARG A 12 10.462 -1.167 -0.612 1.00 0.00 H new ATOM 0 HA ARG A 12 11.306 0.333 1.746 1.00 0.00 H new ATOM 0 HB2 ARG A 12 11.820 -2.307 0.510 1.00 0.00 H new ATOM 0 HB3 ARG A 12 13.273 -1.536 1.113 1.00 0.00 H new ATOM 0 HG2 ARG A 12 11.186 -1.288 3.096 1.00 0.00 H new ATOM 0 HG3 ARG A 12 11.296 -2.961 2.584 1.00 0.00 H new ATOM 0 HD2 ARG A 12 13.857 -1.493 3.158 1.00 0.00 H new ATOM 0 HD3 ARG A 12 12.859 -1.963 4.519 1.00 0.00 H new ATOM 0 HE ARG A 12 13.336 -4.137 2.606 1.00 0.00 H new ATOM 0 HH11 ARG A 12 14.517 -2.422 5.467 1.00 0.00 H new ATOM 0 HH12 ARG A 12 15.479 -3.793 6.029 1.00 0.00 H new ATOM 0 HH21 ARG A 12 14.571 -5.887 3.343 1.00 0.00 H new ATOM 0 HH22 ARG A 12 15.509 -5.743 4.834 1.00 0.00 H new ATOM 214 N ASN A 13 13.058 1.759 0.732 1.00 0.00 N ATOM 215 CA ASN A 13 14.100 2.606 0.151 1.00 0.00 C ATOM 216 C ASN A 13 15.494 2.075 0.475 1.00 0.00 C ATOM 217 O ASN A 13 15.654 0.966 0.983 1.00 0.00 O ATOM 218 CB ASN A 13 13.969 4.084 0.557 1.00 0.00 C ATOM 219 CG ASN A 13 14.067 4.339 2.043 1.00 0.00 C ATOM 220 OD1 ASN A 13 13.059 4.368 2.742 1.00 0.00 O ATOM 221 ND2 ASN A 13 15.278 4.574 2.525 1.00 0.00 N ATOM 0 H ASN A 13 12.652 2.115 1.598 1.00 0.00 H new ATOM 0 HA ASN A 13 13.957 2.564 -0.929 1.00 0.00 H new ATOM 0 HB2 ASN A 13 14.747 4.656 0.051 1.00 0.00 H new ATOM 0 HB3 ASN A 13 13.011 4.462 0.199 1.00 0.00 H new ATOM 0 HD21 ASN A 13 15.400 4.790 3.514 1.00 0.00 H new ATOM 0 HD22 ASN A 13 16.089 4.539 1.907 1.00 0.00 H new ATOM 228 N GLU A 14 16.495 2.868 0.125 1.00 0.00 N ATOM 229 CA GLU A 14 17.901 2.508 0.307 1.00 0.00 C ATOM 230 C GLU A 14 18.388 2.651 1.752 1.00 0.00 C ATOM 231 O GLU A 14 19.592 2.630 2.003 1.00 0.00 O ATOM 232 CB GLU A 14 18.753 3.387 -0.608 1.00 0.00 C ATOM 233 CG GLU A 14 20.243 3.097 -0.537 1.00 0.00 C ATOM 234 CD GLU A 14 21.010 4.163 0.221 1.00 0.00 C ATOM 235 OE1 GLU A 14 20.378 4.906 1.002 1.00 0.00 O ATOM 236 OE2 GLU A 14 22.241 4.254 0.034 1.00 0.00 O ATOM 0 H GLU A 14 16.358 3.787 -0.297 1.00 0.00 H new ATOM 0 HA GLU A 14 18.000 1.453 0.053 1.00 0.00 H new ATOM 0 HB2 GLU A 14 18.417 3.255 -1.636 1.00 0.00 H new ATOM 0 HB3 GLU A 14 18.585 4.432 -0.349 1.00 0.00 H new ATOM 0 HG2 GLU A 14 20.399 2.131 -0.056 1.00 0.00 H new ATOM 0 HG3 GLU A 14 20.642 3.017 -1.548 1.00 0.00 H new ATOM 243 N ASN A 15 17.473 2.803 2.698 1.00 0.00 N ATOM 244 CA ASN A 15 17.873 2.952 4.098 1.00 0.00 C ATOM 245 C ASN A 15 16.905 2.254 5.053 1.00 0.00 C ATOM 246 O ASN A 15 16.428 2.856 6.015 1.00 0.00 O ATOM 247 CB ASN A 15 17.981 4.435 4.450 1.00 0.00 C ATOM 248 CG ASN A 15 18.474 4.662 5.867 1.00 0.00 C ATOM 249 OD1 ASN A 15 17.885 5.431 6.625 1.00 0.00 O ATOM 250 ND2 ASN A 15 19.562 3.993 6.229 1.00 0.00 N ATOM 0 H ASN A 15 16.467 2.827 2.532 1.00 0.00 H new ATOM 0 HA ASN A 15 18.845 2.473 4.216 1.00 0.00 H new ATOM 0 HB2 ASN A 15 18.660 4.923 3.750 1.00 0.00 H new ATOM 0 HB3 ASN A 15 17.005 4.906 4.328 1.00 0.00 H new ATOM 0 HD21 ASN A 15 19.941 4.107 7.169 1.00 0.00 H new ATOM 0 HD22 ASN A 15 20.018 3.365 5.567 1.00 0.00 H new ATOM 257 N ASN A 16 16.627 0.977 4.792 1.00 0.00 N ATOM 258 CA ASN A 16 15.724 0.190 5.640 1.00 0.00 C ATOM 259 C ASN A 16 14.468 0.981 6.010 1.00 0.00 C ATOM 260 O ASN A 16 13.853 0.745 7.050 1.00 0.00 O ATOM 261 CB ASN A 16 16.449 -0.262 6.904 1.00 0.00 C ATOM 262 CG ASN A 16 16.553 -1.771 7.005 1.00 0.00 C ATOM 263 OD1 ASN A 16 17.133 -2.425 6.138 1.00 0.00 O ATOM 264 ND2 ASN A 16 15.987 -2.334 8.067 1.00 0.00 N ATOM 0 H ASN A 16 17.013 0.463 4.000 1.00 0.00 H new ATOM 0 HA ASN A 16 15.412 -0.686 5.070 1.00 0.00 H new ATOM 0 HB2 ASN A 16 17.450 0.170 6.919 1.00 0.00 H new ATOM 0 HB3 ASN A 16 15.923 0.122 7.778 1.00 0.00 H new ATOM 0 HD21 ASN A 16 16.023 -3.346 8.188 1.00 0.00 H new ATOM 0 HD22 ASN A 16 15.516 -1.754 8.762 1.00 0.00 H new ATOM 271 N GLU A 17 14.096 1.911 5.143 1.00 0.00 N ATOM 272 CA GLU A 17 12.918 2.740 5.348 1.00 0.00 C ATOM 273 C GLU A 17 11.983 2.577 4.159 1.00 0.00 C ATOM 274 O GLU A 17 12.400 2.097 3.111 1.00 0.00 O ATOM 275 CB GLU A 17 13.316 4.208 5.527 1.00 0.00 C ATOM 276 CG GLU A 17 14.108 4.474 6.798 1.00 0.00 C ATOM 277 CD GLU A 17 15.146 5.567 6.624 1.00 0.00 C ATOM 278 OE1 GLU A 17 15.403 5.965 5.468 1.00 0.00 O ATOM 279 OE2 GLU A 17 15.700 6.026 7.645 1.00 0.00 O ATOM 0 H GLU A 17 14.601 2.112 4.280 1.00 0.00 H new ATOM 0 HA GLU A 17 12.405 2.423 6.256 1.00 0.00 H new ATOM 0 HB2 GLU A 17 13.908 4.523 4.668 1.00 0.00 H new ATOM 0 HB3 GLU A 17 12.415 4.822 5.535 1.00 0.00 H new ATOM 0 HG2 GLU A 17 13.421 4.755 7.597 1.00 0.00 H new ATOM 0 HG3 GLU A 17 14.603 3.555 7.111 1.00 0.00 H new ATOM 286 N ILE A 18 10.721 2.945 4.318 1.00 0.00 N ATOM 287 CA ILE A 18 9.762 2.798 3.232 1.00 0.00 C ATOM 288 C ILE A 18 9.006 4.096 2.950 1.00 0.00 C ATOM 289 O ILE A 18 8.681 4.855 3.862 1.00 0.00 O ATOM 290 CB ILE A 18 8.767 1.667 3.552 1.00 0.00 C ATOM 291 CG1 ILE A 18 9.452 0.310 3.406 1.00 0.00 C ATOM 292 CG2 ILE A 18 7.526 1.737 2.668 1.00 0.00 C ATOM 293 CD1 ILE A 18 8.990 -0.713 4.420 1.00 0.00 C ATOM 0 H ILE A 18 10.340 3.343 5.176 1.00 0.00 H new ATOM 0 HA ILE A 18 10.325 2.546 2.334 1.00 0.00 H new ATOM 0 HB ILE A 18 8.439 1.794 4.584 1.00 0.00 H new ATOM 0 HG12 ILE A 18 9.267 -0.075 2.403 1.00 0.00 H new ATOM 0 HG13 ILE A 18 10.529 0.444 3.502 1.00 0.00 H new ATOM 0 HG21 ILE A 18 6.849 0.922 2.925 1.00 0.00 H new ATOM 0 HG22 ILE A 18 7.021 2.690 2.824 1.00 0.00 H new ATOM 0 HG23 ILE A 18 7.819 1.649 1.622 1.00 0.00 H new ATOM 0 HD11 ILE A 18 9.519 -1.652 4.256 1.00 0.00 H new ATOM 0 HD12 ILE A 18 9.200 -0.349 5.426 1.00 0.00 H new ATOM 0 HD13 ILE A 18 7.918 -0.876 4.310 1.00 0.00 H new ATOM 305 N PHE A 19 8.722 4.329 1.671 1.00 0.00 N ATOM 306 CA PHE A 19 7.997 5.518 1.241 1.00 0.00 C ATOM 307 C PHE A 19 6.488 5.261 1.262 1.00 0.00 C ATOM 308 O PHE A 19 5.980 4.439 0.501 1.00 0.00 O ATOM 309 CB PHE A 19 8.462 5.937 -0.168 1.00 0.00 C ATOM 310 CG PHE A 19 7.352 6.114 -1.171 1.00 0.00 C ATOM 311 CD1 PHE A 19 6.443 7.152 -1.046 1.00 0.00 C ATOM 312 CD2 PHE A 19 7.222 5.239 -2.238 1.00 0.00 C ATOM 313 CE1 PHE A 19 5.423 7.314 -1.966 1.00 0.00 C ATOM 314 CE2 PHE A 19 6.205 5.396 -3.161 1.00 0.00 C ATOM 315 CZ PHE A 19 5.305 6.435 -3.025 1.00 0.00 C ATOM 0 H PHE A 19 8.986 3.703 0.910 1.00 0.00 H new ATOM 0 HA PHE A 19 8.211 6.332 1.933 1.00 0.00 H new ATOM 0 HB2 PHE A 19 9.015 6.873 -0.090 1.00 0.00 H new ATOM 0 HB3 PHE A 19 9.157 5.186 -0.544 1.00 0.00 H new ATOM 0 HD1 PHE A 19 6.532 7.843 -0.221 1.00 0.00 H new ATOM 0 HD2 PHE A 19 7.923 4.425 -2.350 1.00 0.00 H new ATOM 0 HE1 PHE A 19 4.720 8.126 -1.857 1.00 0.00 H new ATOM 0 HE2 PHE A 19 6.114 4.707 -3.988 1.00 0.00 H new ATOM 0 HZ PHE A 19 4.510 6.560 -3.746 1.00 0.00 H new ATOM 325 N ILE A 20 5.779 5.977 2.128 1.00 0.00 N ATOM 326 CA ILE A 20 4.330 5.830 2.232 1.00 0.00 C ATOM 327 C ILE A 20 3.631 7.098 1.752 1.00 0.00 C ATOM 328 O ILE A 20 4.011 8.207 2.127 1.00 0.00 O ATOM 329 CB ILE A 20 3.860 5.516 3.676 1.00 0.00 C ATOM 330 CG1 ILE A 20 5.052 5.390 4.634 1.00 0.00 C ATOM 331 CG2 ILE A 20 3.021 4.245 3.696 1.00 0.00 C ATOM 332 CD1 ILE A 20 5.852 4.121 4.445 1.00 0.00 C ATOM 0 H ILE A 20 6.182 6.663 2.767 1.00 0.00 H new ATOM 0 HA ILE A 20 4.062 4.984 1.599 1.00 0.00 H new ATOM 0 HB ILE A 20 3.244 6.348 4.018 1.00 0.00 H new ATOM 0 HG12 ILE A 20 5.710 6.248 4.496 1.00 0.00 H new ATOM 0 HG13 ILE A 20 4.688 5.430 5.661 1.00 0.00 H new ATOM 0 HG21 ILE A 20 2.699 4.038 4.716 1.00 0.00 H new ATOM 0 HG22 ILE A 20 2.146 4.376 3.059 1.00 0.00 H new ATOM 0 HG23 ILE A 20 3.617 3.410 3.327 1.00 0.00 H new ATOM 0 HD11 ILE A 20 6.678 4.102 5.156 1.00 0.00 H new ATOM 0 HD12 ILE A 20 5.209 3.257 4.612 1.00 0.00 H new ATOM 0 HD13 ILE A 20 6.247 4.088 3.430 1.00 0.00 H new ATOM 344 N THR A 21 2.610 6.929 0.920 1.00 0.00 N ATOM 345 CA THR A 21 1.864 8.064 0.390 1.00 0.00 C ATOM 346 C THR A 21 1.014 8.716 1.476 1.00 0.00 C ATOM 347 O THR A 21 0.075 8.109 1.990 1.00 0.00 O ATOM 348 CB THR A 21 0.975 7.618 -0.770 1.00 0.00 C ATOM 349 OG1 THR A 21 -0.121 6.855 -0.298 1.00 0.00 O ATOM 350 CG2 THR A 21 1.706 6.784 -1.799 1.00 0.00 C ATOM 0 H THR A 21 2.280 6.019 0.598 1.00 0.00 H new ATOM 0 HA THR A 21 2.582 8.800 0.028 1.00 0.00 H new ATOM 0 HB THR A 21 0.639 8.539 -1.246 1.00 0.00 H new ATOM 0 HG1 THR A 21 -0.116 6.847 0.682 1.00 0.00 H new ATOM 0 HG21 THR A 21 1.017 6.501 -2.594 1.00 0.00 H new ATOM 0 HG22 THR A 21 2.528 7.364 -2.220 1.00 0.00 H new ATOM 0 HG23 THR A 21 2.101 5.886 -1.325 1.00 0.00 H new ATOM 358 N ARG A 22 1.348 9.958 1.817 1.00 0.00 N ATOM 359 CA ARG A 22 0.612 10.695 2.838 1.00 0.00 C ATOM 360 C ARG A 22 0.050 11.989 2.267 1.00 0.00 C ATOM 361 O ARG A 22 0.761 12.750 1.610 1.00 0.00 O ATOM 362 CB ARG A 22 1.508 11.002 4.040 1.00 0.00 C ATOM 363 CG ARG A 22 2.960 11.270 3.675 1.00 0.00 C ATOM 364 CD ARG A 22 3.803 11.536 4.911 1.00 0.00 C ATOM 365 NE ARG A 22 3.626 12.897 5.412 1.00 0.00 N ATOM 366 CZ ARG A 22 4.043 13.985 4.769 1.00 0.00 C ATOM 367 NH1 ARG A 22 4.663 13.876 3.600 1.00 0.00 N ATOM 368 NH2 ARG A 22 3.840 15.186 5.294 1.00 0.00 N ATOM 0 H ARG A 22 2.123 10.474 1.401 1.00 0.00 H new ATOM 0 HA ARG A 22 -0.216 10.069 3.171 1.00 0.00 H new ATOM 0 HB2 ARG A 22 1.110 11.870 4.565 1.00 0.00 H new ATOM 0 HB3 ARG A 22 1.467 10.163 4.735 1.00 0.00 H new ATOM 0 HG2 ARG A 22 3.365 10.414 3.134 1.00 0.00 H new ATOM 0 HG3 ARG A 22 3.016 12.127 3.004 1.00 0.00 H new ATOM 0 HD2 ARG A 22 3.535 10.825 5.692 1.00 0.00 H new ATOM 0 HD3 ARG A 22 4.854 11.370 4.675 1.00 0.00 H new ATOM 0 HE ARG A 22 3.155 13.021 6.308 1.00 0.00 H new ATOM 0 HH11 ARG A 22 4.822 12.955 3.191 1.00 0.00 H new ATOM 0 HH12 ARG A 22 4.981 14.713 3.111 1.00 0.00 H new ATOM 0 HH21 ARG A 22 3.364 15.276 6.191 1.00 0.00 H new ATOM 0 HH22 ARG A 22 4.160 16.019 4.800 1.00 0.00 H new ATOM 493 N ASN A 31 -4.626 12.386 6.896 1.00 0.00 N ATOM 494 CA ASN A 31 -4.899 11.033 7.368 1.00 0.00 C ATOM 495 C ASN A 31 -4.944 10.040 6.208 1.00 0.00 C ATOM 496 O ASN A 31 -5.671 9.049 6.258 1.00 0.00 O ATOM 497 CB ASN A 31 -6.222 10.999 8.137 1.00 0.00 C ATOM 498 CG ASN A 31 -6.042 10.572 9.580 1.00 0.00 C ATOM 499 OD1 ASN A 31 -5.212 11.123 10.305 1.00 0.00 O ATOM 500 ND2 ASN A 31 -6.819 9.583 10.007 1.00 0.00 N ATOM 0 HA ASN A 31 -4.088 10.740 8.034 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -6.681 11.987 8.108 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -6.909 10.314 7.641 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -6.741 9.252 10.969 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -7.494 9.154 9.373 1.00 0.00 H new ATOM 507 N LYS A 32 -4.165 10.310 5.163 1.00 0.00 N ATOM 508 CA LYS A 32 -4.127 9.433 3.995 1.00 0.00 C ATOM 509 C LYS A 32 -2.765 8.771 3.836 1.00 0.00 C ATOM 510 O LYS A 32 -2.368 8.395 2.733 1.00 0.00 O ATOM 511 CB LYS A 32 -4.491 10.204 2.726 1.00 0.00 C ATOM 512 CG LYS A 32 -5.798 9.751 2.094 1.00 0.00 C ATOM 513 CD LYS A 32 -5.703 9.718 0.578 1.00 0.00 C ATOM 514 CE LYS A 32 -7.051 9.986 -0.072 1.00 0.00 C ATOM 515 NZ LYS A 32 -7.269 9.132 -1.273 1.00 0.00 N ATOM 0 H LYS A 32 -3.554 11.125 5.101 1.00 0.00 H new ATOM 0 HA LYS A 32 -4.866 8.648 4.153 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -4.560 11.266 2.963 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -3.687 10.091 1.999 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -6.058 8.759 2.465 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -6.601 10.424 2.394 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -4.982 10.463 0.242 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -5.330 8.745 0.257 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -7.845 9.804 0.652 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -7.114 11.036 -0.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -8.199 9.345 -1.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -6.526 9.324 -1.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -7.235 8.130 -0.997 1.00 0.00 H new ATOM 529 N LEU A 33 -2.060 8.628 4.944 1.00 0.00 N ATOM 530 CA LEU A 33 -0.741 8.003 4.939 1.00 0.00 C ATOM 531 C LEU A 33 -0.858 6.513 4.628 1.00 0.00 C ATOM 532 O LEU A 33 -0.678 5.668 5.503 1.00 0.00 O ATOM 533 CB LEU A 33 -0.052 8.214 6.290 1.00 0.00 C ATOM 534 CG LEU A 33 1.273 7.467 6.482 1.00 0.00 C ATOM 535 CD1 LEU A 33 2.358 8.058 5.597 1.00 0.00 C ATOM 536 CD2 LEU A 33 1.697 7.507 7.943 1.00 0.00 C ATOM 0 H LEU A 33 -2.376 8.936 5.863 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.137 8.470 4.162 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.130 9.280 6.422 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -0.739 7.908 7.079 1.00 0.00 H new ATOM 0 HG LEU A 33 1.125 6.427 6.191 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.289 7.513 5.750 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.058 7.979 4.552 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.506 9.107 5.854 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.639 6.972 8.063 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.825 8.543 8.256 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.931 7.034 8.557 1.00 0.00 H new ATOM 548 N GLU A 34 -1.173 6.200 3.376 1.00 0.00 N ATOM 549 CA GLU A 34 -1.322 4.813 2.951 1.00 0.00 C ATOM 550 C GLU A 34 -0.179 4.392 2.036 1.00 0.00 C ATOM 551 O GLU A 34 0.836 5.082 1.935 1.00 0.00 O ATOM 552 CB GLU A 34 -2.664 4.617 2.241 1.00 0.00 C ATOM 553 CG GLU A 34 -3.350 3.306 2.590 1.00 0.00 C ATOM 554 CD GLU A 34 -3.999 2.649 1.387 1.00 0.00 C ATOM 555 OE1 GLU A 34 -5.139 3.029 1.047 1.00 0.00 O ATOM 556 OE2 GLU A 34 -3.367 1.756 0.786 1.00 0.00 O ATOM 0 H GLU A 34 -1.330 6.887 2.638 1.00 0.00 H new ATOM 0 HA GLU A 34 -1.294 4.184 3.841 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -3.326 5.444 2.498 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -2.505 4.659 1.163 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -2.620 2.622 3.023 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -4.107 3.488 3.352 1.00 0.00 H new ATOM 563 N PHE A 35 -0.344 3.247 1.381 1.00 0.00 N ATOM 564 CA PHE A 35 0.683 2.727 0.484 1.00 0.00 C ATOM 565 C PHE A 35 0.164 2.595 -0.948 1.00 0.00 C ATOM 566 O PHE A 35 -1.035 2.715 -1.203 1.00 0.00 O ATOM 567 CB PHE A 35 1.191 1.371 0.980 1.00 0.00 C ATOM 568 CG PHE A 35 1.048 1.173 2.462 1.00 0.00 C ATOM 569 CD1 PHE A 35 -0.161 0.772 3.008 1.00 0.00 C ATOM 570 CD2 PHE A 35 2.122 1.391 3.308 1.00 0.00 C ATOM 571 CE1 PHE A 35 -0.295 0.593 4.371 1.00 0.00 C ATOM 572 CE2 PHE A 35 1.994 1.214 4.672 1.00 0.00 C ATOM 573 CZ PHE A 35 0.784 0.813 5.203 1.00 0.00 C ATOM 0 H PHE A 35 -1.177 2.663 1.454 1.00 0.00 H new ATOM 0 HA PHE A 35 1.507 3.441 0.482 1.00 0.00 H new ATOM 0 HB2 PHE A 35 0.648 0.579 0.463 1.00 0.00 H new ATOM 0 HB3 PHE A 35 2.242 1.266 0.709 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -1.008 0.598 2.361 1.00 0.00 H new ATOM 0 HD2 PHE A 35 3.071 1.703 2.897 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -1.243 0.281 4.785 1.00 0.00 H new ATOM 0 HE2 PHE A 35 2.839 1.389 5.322 1.00 0.00 H new ATOM 0 HZ PHE A 35 0.682 0.672 6.269 1.00 0.00 H new ATOM 583 N PRO A 36 1.080 2.360 -1.902 1.00 0.00 N ATOM 584 CA PRO A 36 0.756 2.221 -3.321 1.00 0.00 C ATOM 585 C PRO A 36 0.309 0.813 -3.714 1.00 0.00 C ATOM 586 O PRO A 36 0.466 -0.142 -2.956 1.00 0.00 O ATOM 587 CB PRO A 36 2.075 2.567 -4.003 1.00 0.00 C ATOM 588 CG PRO A 36 3.124 2.107 -3.049 1.00 0.00 C ATOM 589 CD PRO A 36 2.532 2.220 -1.665 1.00 0.00 C ATOM 0 HA PRO A 36 -0.085 2.855 -3.603 1.00 0.00 H new ATOM 0 HB2 PRO A 36 2.167 2.065 -4.966 1.00 0.00 H new ATOM 0 HB3 PRO A 36 2.154 3.637 -4.193 1.00 0.00 H new ATOM 0 HG2 PRO A 36 3.417 1.079 -3.262 1.00 0.00 H new ATOM 0 HG3 PRO A 36 4.022 2.719 -3.137 1.00 0.00 H new ATOM 0 HD2 PRO A 36 2.754 1.338 -1.064 1.00 0.00 H new ATOM 0 HD3 PRO A 36 2.933 3.081 -1.129 1.00 0.00 H new ATOM 597 N GLY A 37 -0.237 0.708 -4.921 1.00 0.00 N ATOM 598 CA GLY A 37 -0.706 -0.568 -5.447 1.00 0.00 C ATOM 599 C GLY A 37 -2.217 -0.752 -5.405 1.00 0.00 C ATOM 600 O GLY A 37 -2.731 -1.756 -5.888 1.00 0.00 O ATOM 0 H GLY A 37 -0.366 1.496 -5.556 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -0.369 -0.667 -6.479 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -0.239 -1.374 -4.881 1.00 0.00 H new ATOM 604 N GLY A 38 -2.929 0.212 -4.848 1.00 0.00 N ATOM 605 CA GLY A 38 -4.378 0.131 -4.770 1.00 0.00 C ATOM 606 C GLY A 38 -5.068 0.133 -6.129 1.00 0.00 C ATOM 607 O GLY A 38 -4.458 0.479 -7.151 1.00 0.00 O ATOM 0 H GLY A 38 -2.529 1.059 -4.444 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -4.654 -0.777 -4.234 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -4.749 0.972 -4.183 1.00 0.00 H new ATOM 611 N LYS A 39 -6.354 -0.250 -6.126 1.00 0.00 N ATOM 612 CA LYS A 39 -7.177 -0.301 -7.334 1.00 0.00 C ATOM 613 C LYS A 39 -7.025 -1.626 -8.075 1.00 0.00 C ATOM 614 O LYS A 39 -7.655 -1.839 -9.111 1.00 0.00 O ATOM 615 CB LYS A 39 -6.864 0.859 -8.274 1.00 0.00 C ATOM 616 CG LYS A 39 -7.853 0.969 -9.416 1.00 0.00 C ATOM 617 CD LYS A 39 -8.554 2.320 -9.420 1.00 0.00 C ATOM 618 CE LYS A 39 -9.653 2.381 -8.369 1.00 0.00 C ATOM 619 NZ LYS A 39 -9.104 2.539 -6.991 1.00 0.00 N ATOM 0 H LYS A 39 -6.850 -0.533 -5.281 1.00 0.00 H new ATOM 0 HA LYS A 39 -8.212 -0.214 -7.005 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -6.864 1.790 -7.708 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -5.860 0.732 -8.679 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -7.334 0.825 -10.363 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -8.594 0.174 -9.335 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -7.826 3.109 -9.233 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -8.981 2.507 -10.405 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -10.320 3.214 -8.591 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -10.252 1.471 -8.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -9.830 2.957 -6.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -8.827 1.608 -6.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -8.272 3.162 -7.018 1.00 0.00 H new ATOM 633 N ILE A 40 -6.206 -2.522 -7.537 1.00 0.00 N ATOM 634 CA ILE A 40 -6.002 -3.833 -8.151 1.00 0.00 C ATOM 635 C ILE A 40 -7.337 -4.502 -8.437 1.00 0.00 C ATOM 636 O ILE A 40 -7.473 -5.305 -9.360 1.00 0.00 O ATOM 637 CB ILE A 40 -5.137 -4.750 -7.258 1.00 0.00 C ATOM 638 CG1 ILE A 40 -5.973 -5.380 -6.130 1.00 0.00 C ATOM 639 CG2 ILE A 40 -3.969 -3.957 -6.688 1.00 0.00 C ATOM 640 CD1 ILE A 40 -5.739 -6.868 -5.959 1.00 0.00 C ATOM 0 H ILE A 40 -5.674 -2.368 -6.681 1.00 0.00 H new ATOM 0 HA ILE A 40 -5.471 -3.674 -9.090 1.00 0.00 H new ATOM 0 HB ILE A 40 -4.749 -5.565 -7.870 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -5.742 -4.874 -5.192 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -7.030 -5.208 -6.333 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -3.361 -4.607 -6.059 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -3.360 -3.569 -7.504 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -4.349 -3.127 -6.092 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -6.361 -7.243 -5.147 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -5.997 -7.385 -6.883 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -4.690 -7.047 -5.724 1.00 0.00 H new ATOM 652 N GLU A 41 -8.313 -4.145 -7.621 1.00 0.00 N ATOM 653 CA GLU A 41 -9.665 -4.668 -7.727 1.00 0.00 C ATOM 654 C GLU A 41 -10.131 -4.697 -9.176 1.00 0.00 C ATOM 655 O GLU A 41 -10.476 -5.756 -9.697 1.00 0.00 O ATOM 656 CB GLU A 41 -10.602 -3.805 -6.885 1.00 0.00 C ATOM 657 CG GLU A 41 -10.349 -2.308 -7.032 1.00 0.00 C ATOM 658 CD GLU A 41 -11.448 -1.601 -7.801 1.00 0.00 C ATOM 659 OE1 GLU A 41 -12.099 -2.256 -8.644 1.00 0.00 O ATOM 660 OE2 GLU A 41 -11.660 -0.394 -7.562 1.00 0.00 O ATOM 0 H GLU A 41 -8.189 -3.478 -6.859 1.00 0.00 H new ATOM 0 HA GLU A 41 -9.677 -5.693 -7.356 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -11.633 -4.020 -7.167 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -10.494 -4.082 -5.836 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -10.258 -1.860 -6.042 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -9.398 -2.153 -7.541 1.00 0.00 H new ATOM 667 N MET A 42 -10.126 -3.521 -9.811 1.00 0.00 N ATOM 668 CA MET A 42 -10.534 -3.363 -11.215 1.00 0.00 C ATOM 669 C MET A 42 -11.119 -4.648 -11.805 1.00 0.00 C ATOM 670 O MET A 42 -12.336 -4.795 -11.909 1.00 0.00 O ATOM 671 CB MET A 42 -9.341 -2.905 -12.058 1.00 0.00 C ATOM 672 CG MET A 42 -8.860 -1.504 -11.718 1.00 0.00 C ATOM 673 SD MET A 42 -9.571 -0.246 -12.796 1.00 0.00 S ATOM 674 CE MET A 42 -11.265 -0.220 -12.216 1.00 0.00 C ATOM 0 H MET A 42 -9.839 -2.649 -9.367 1.00 0.00 H new ATOM 0 HA MET A 42 -11.320 -2.608 -11.237 1.00 0.00 H new ATOM 0 HB2 MET A 42 -8.518 -3.606 -11.920 1.00 0.00 H new ATOM 0 HB3 MET A 42 -9.616 -2.940 -13.112 1.00 0.00 H new ATOM 0 HG2 MET A 42 -9.116 -1.277 -10.683 1.00 0.00 H new ATOM 0 HG3 MET A 42 -7.773 -1.469 -11.793 1.00 0.00 H new ATOM 0 HE1 MET A 42 -11.715 0.745 -12.450 1.00 0.00 H new ATOM 0 HE2 MET A 42 -11.830 -1.012 -12.707 1.00 0.00 H new ATOM 0 HE3 MET A 42 -11.283 -0.377 -11.137 1.00 0.00 H new ATOM 684 N GLY A 43 -10.243 -5.574 -12.188 1.00 0.00 N ATOM 685 CA GLY A 43 -10.698 -6.828 -12.760 1.00 0.00 C ATOM 686 C GLY A 43 -9.563 -7.749 -13.144 1.00 0.00 C ATOM 687 O GLY A 43 -9.647 -8.474 -14.136 1.00 0.00 O ATOM 0 H GLY A 43 -9.230 -5.478 -12.112 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -11.343 -7.335 -12.043 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -11.304 -6.620 -13.642 1.00 0.00 H new ATOM 691 N GLU A 44 -8.503 -7.718 -12.361 1.00 0.00 N ATOM 692 CA GLU A 44 -7.336 -8.556 -12.619 1.00 0.00 C ATOM 693 C GLU A 44 -7.418 -9.866 -11.838 1.00 0.00 C ATOM 694 O GLU A 44 -8.452 -10.182 -11.249 1.00 0.00 O ATOM 695 CB GLU A 44 -6.054 -7.805 -12.259 1.00 0.00 C ATOM 696 CG GLU A 44 -5.312 -7.254 -13.466 1.00 0.00 C ATOM 697 CD GLU A 44 -5.211 -5.741 -13.451 1.00 0.00 C ATOM 698 OE1 GLU A 44 -4.532 -5.200 -12.553 1.00 0.00 O ATOM 699 OE2 GLU A 44 -5.813 -5.096 -14.335 1.00 0.00 O ATOM 0 H GLU A 44 -8.420 -7.122 -11.537 1.00 0.00 H new ATOM 0 HA GLU A 44 -7.319 -8.795 -13.682 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -6.301 -6.982 -11.588 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -5.392 -8.475 -11.711 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -4.309 -7.681 -13.497 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -5.821 -7.571 -14.376 1.00 0.00 H new ATOM 706 N THR A 45 -6.325 -10.626 -11.836 1.00 0.00 N ATOM 707 CA THR A 45 -6.281 -11.897 -11.125 1.00 0.00 C ATOM 708 C THR A 45 -5.601 -11.723 -9.771 1.00 0.00 C ATOM 709 O THR A 45 -4.769 -10.835 -9.601 1.00 0.00 O ATOM 710 CB THR A 45 -5.532 -12.944 -11.958 1.00 0.00 C ATOM 711 OG1 THR A 45 -5.241 -12.445 -13.252 1.00 0.00 O ATOM 712 CG2 THR A 45 -6.298 -14.237 -12.130 1.00 0.00 C ATOM 0 H THR A 45 -5.460 -10.382 -12.319 1.00 0.00 H new ATOM 0 HA THR A 45 -7.303 -12.240 -10.963 1.00 0.00 H new ATOM 0 HB THR A 45 -4.620 -13.152 -11.399 1.00 0.00 H new ATOM 0 HG1 THR A 45 -4.762 -13.128 -13.766 1.00 0.00 H new ATOM 0 HG21 THR A 45 -5.709 -14.932 -12.729 1.00 0.00 H new ATOM 0 HG22 THR A 45 -6.494 -14.677 -11.152 1.00 0.00 H new ATOM 0 HG23 THR A 45 -7.244 -14.035 -12.633 1.00 0.00 H new ATOM 720 N PRO A 46 -5.935 -12.572 -8.786 1.00 0.00 N ATOM 721 CA PRO A 46 -5.345 -12.506 -7.449 1.00 0.00 C ATOM 722 C PRO A 46 -3.832 -12.294 -7.490 1.00 0.00 C ATOM 723 O PRO A 46 -3.244 -11.780 -6.539 1.00 0.00 O ATOM 724 CB PRO A 46 -5.685 -13.873 -6.830 1.00 0.00 C ATOM 725 CG PRO A 46 -6.342 -14.667 -7.916 1.00 0.00 C ATOM 726 CD PRO A 46 -6.903 -13.666 -8.881 1.00 0.00 C ATOM 0 HA PRO A 46 -5.733 -11.663 -6.878 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -4.785 -14.373 -6.471 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -6.350 -13.759 -5.974 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -5.624 -15.323 -8.408 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -7.130 -15.303 -7.512 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -6.967 -14.067 -9.893 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -7.907 -13.347 -8.600 1.00 0.00 H new ATOM 734 N GLU A 47 -3.205 -12.701 -8.591 1.00 0.00 N ATOM 735 CA GLU A 47 -1.762 -12.557 -8.744 1.00 0.00 C ATOM 736 C GLU A 47 -1.401 -11.379 -9.652 1.00 0.00 C ATOM 737 O GLU A 47 -0.478 -10.622 -9.353 1.00 0.00 O ATOM 738 CB GLU A 47 -1.162 -13.850 -9.305 1.00 0.00 C ATOM 739 CG GLU A 47 -0.338 -14.626 -8.291 1.00 0.00 C ATOM 740 CD GLU A 47 1.154 -14.427 -8.478 1.00 0.00 C ATOM 741 OE1 GLU A 47 1.544 -13.425 -9.113 1.00 0.00 O ATOM 742 OE2 GLU A 47 1.932 -15.274 -7.990 1.00 0.00 O ATOM 0 H GLU A 47 -3.673 -13.132 -9.388 1.00 0.00 H new ATOM 0 HA GLU A 47 -1.344 -12.357 -7.757 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.968 -14.487 -9.670 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -0.534 -13.608 -10.162 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -0.619 -14.315 -7.285 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -0.573 -15.687 -8.373 1.00 0.00 H new ATOM 749 N GLN A 48 -2.122 -11.230 -10.762 1.00 0.00 N ATOM 750 CA GLN A 48 -1.852 -10.145 -11.702 1.00 0.00 C ATOM 751 C GLN A 48 -2.465 -8.827 -11.237 1.00 0.00 C ATOM 752 O GLN A 48 -2.172 -7.769 -11.795 1.00 0.00 O ATOM 753 CB GLN A 48 -2.382 -10.504 -13.091 1.00 0.00 C ATOM 754 CG GLN A 48 -1.394 -11.292 -13.935 1.00 0.00 C ATOM 755 CD GLN A 48 -0.742 -10.446 -15.012 1.00 0.00 C ATOM 756 OE1 GLN A 48 -0.812 -10.769 -16.197 1.00 0.00 O ATOM 757 NE2 GLN A 48 -0.103 -9.357 -14.601 1.00 0.00 N ATOM 0 H GLN A 48 -2.892 -11.842 -11.031 1.00 0.00 H new ATOM 0 HA GLN A 48 -0.771 -10.013 -11.748 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -3.298 -11.085 -12.982 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -2.647 -9.587 -13.618 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -0.622 -11.709 -13.289 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -1.909 -12.133 -14.400 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -0.071 -9.129 -13.607 1.00 0.00 H new ATOM 0 HE22 GLN A 48 0.356 -8.749 -15.279 1.00 0.00 H new ATOM 766 N ALA A 49 -3.317 -8.889 -10.220 1.00 0.00 N ATOM 767 CA ALA A 49 -3.960 -7.692 -9.700 1.00 0.00 C ATOM 768 C ALA A 49 -2.927 -6.699 -9.200 1.00 0.00 C ATOM 769 O ALA A 49 -2.910 -5.541 -9.618 1.00 0.00 O ATOM 770 CB ALA A 49 -4.942 -8.051 -8.595 1.00 0.00 C ATOM 0 H ALA A 49 -3.577 -9.752 -9.742 1.00 0.00 H new ATOM 0 HA ALA A 49 -4.515 -7.222 -10.512 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -5.413 -7.143 -8.218 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -5.707 -8.719 -8.991 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -4.411 -8.548 -7.783 1.00 0.00 H new ATOM 776 N VAL A 50 -2.056 -7.158 -8.314 1.00 0.00 N ATOM 777 CA VAL A 50 -1.013 -6.297 -7.776 1.00 0.00 C ATOM 778 C VAL A 50 0.128 -6.140 -8.770 1.00 0.00 C ATOM 779 O VAL A 50 0.565 -5.029 -9.049 1.00 0.00 O ATOM 780 CB VAL A 50 -0.431 -6.816 -6.437 1.00 0.00 C ATOM 781 CG1 VAL A 50 -0.407 -8.338 -6.384 1.00 0.00 C ATOM 782 CG2 VAL A 50 0.969 -6.252 -6.223 1.00 0.00 C ATOM 0 H VAL A 50 -2.050 -8.113 -7.955 1.00 0.00 H new ATOM 0 HA VAL A 50 -1.491 -5.335 -7.590 1.00 0.00 H new ATOM 0 HB VAL A 50 -1.082 -6.473 -5.633 1.00 0.00 H new ATOM 0 HG11 VAL A 50 0.008 -8.662 -5.430 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -1.422 -8.722 -6.488 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.210 -8.721 -7.197 1.00 0.00 H new ATOM 0 HG21 VAL A 50 1.370 -6.622 -5.279 1.00 0.00 H new ATOM 0 HG22 VAL A 50 1.617 -6.567 -7.041 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.922 -5.163 -6.195 1.00 0.00 H new ATOM 792 N VAL A 51 0.619 -7.260 -9.286 1.00 0.00 N ATOM 793 CA VAL A 51 1.730 -7.245 -10.229 1.00 0.00 C ATOM 794 C VAL A 51 1.466 -6.291 -11.382 1.00 0.00 C ATOM 795 O VAL A 51 2.376 -5.613 -11.859 1.00 0.00 O ATOM 796 CB VAL A 51 2.019 -8.653 -10.788 1.00 0.00 C ATOM 797 CG1 VAL A 51 3.250 -8.637 -11.682 1.00 0.00 C ATOM 798 CG2 VAL A 51 2.192 -9.655 -9.654 1.00 0.00 C ATOM 0 H VAL A 51 0.265 -8.191 -9.067 1.00 0.00 H new ATOM 0 HA VAL A 51 2.604 -6.900 -9.676 1.00 0.00 H new ATOM 0 HB VAL A 51 1.165 -8.961 -11.391 1.00 0.00 H new ATOM 0 HG11 VAL A 51 3.435 -9.641 -12.065 1.00 0.00 H new ATOM 0 HG12 VAL A 51 3.085 -7.955 -12.516 1.00 0.00 H new ATOM 0 HG13 VAL A 51 4.113 -8.304 -11.106 1.00 0.00 H new ATOM 0 HG21 VAL A 51 2.395 -10.642 -10.069 1.00 0.00 H new ATOM 0 HG22 VAL A 51 3.025 -9.349 -9.022 1.00 0.00 H new ATOM 0 HG23 VAL A 51 1.280 -9.692 -9.059 1.00 0.00 H new ATOM 808 N ARG A 52 0.220 -6.241 -11.830 1.00 0.00 N ATOM 809 CA ARG A 52 -0.142 -5.363 -12.931 1.00 0.00 C ATOM 810 C ARG A 52 -0.296 -3.923 -12.462 1.00 0.00 C ATOM 811 O ARG A 52 0.307 -3.010 -13.025 1.00 0.00 O ATOM 812 CB ARG A 52 -1.431 -5.842 -13.601 1.00 0.00 C ATOM 813 CG ARG A 52 -1.665 -5.235 -14.975 1.00 0.00 C ATOM 814 CD ARG A 52 -2.564 -6.114 -15.830 1.00 0.00 C ATOM 815 NE ARG A 52 -3.675 -5.362 -16.408 1.00 0.00 N ATOM 816 CZ ARG A 52 -4.757 -5.928 -16.936 1.00 0.00 C ATOM 817 NH1 ARG A 52 -4.878 -7.249 -16.965 1.00 0.00 N ATOM 818 NH2 ARG A 52 -5.723 -5.170 -17.440 1.00 0.00 N ATOM 0 H ARG A 52 -0.550 -6.793 -11.452 1.00 0.00 H new ATOM 0 HA ARG A 52 0.667 -5.397 -13.661 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -1.401 -6.928 -13.693 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -2.277 -5.600 -12.957 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -2.117 -4.249 -14.866 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -0.709 -5.093 -15.478 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -1.976 -6.564 -16.630 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -2.956 -6.931 -15.223 1.00 0.00 H new ATOM 0 HE ARG A 52 -3.618 -4.344 -16.407 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -4.139 -7.837 -16.581 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -5.710 -7.676 -17.371 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -5.636 -4.154 -17.422 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -6.553 -5.604 -17.845 1.00 0.00 H new ATOM 832 N GLU A 53 -1.099 -3.724 -11.425 1.00 0.00 N ATOM 833 CA GLU A 53 -1.318 -2.389 -10.887 1.00 0.00 C ATOM 834 C GLU A 53 -0.033 -1.839 -10.278 1.00 0.00 C ATOM 835 O GLU A 53 0.113 -0.629 -10.106 1.00 0.00 O ATOM 836 CB GLU A 53 -2.428 -2.409 -9.837 1.00 0.00 C ATOM 837 CG GLU A 53 -3.817 -2.174 -10.412 1.00 0.00 C ATOM 838 CD GLU A 53 -4.021 -0.755 -10.903 1.00 0.00 C ATOM 839 OE1 GLU A 53 -3.159 -0.253 -11.653 1.00 0.00 O ATOM 840 OE2 GLU A 53 -5.049 -0.146 -10.538 1.00 0.00 O ATOM 0 H GLU A 53 -1.607 -4.466 -10.942 1.00 0.00 H new ATOM 0 HA GLU A 53 -1.623 -1.738 -11.707 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -2.414 -3.371 -9.325 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -2.221 -1.646 -9.087 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.985 -2.866 -11.237 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -4.563 -2.400 -9.650 1.00 0.00 H new ATOM 847 N LEU A 54 0.899 -2.733 -9.955 1.00 0.00 N ATOM 848 CA LEU A 54 2.169 -2.327 -9.369 1.00 0.00 C ATOM 849 C LEU A 54 2.861 -1.312 -10.263 1.00 0.00 C ATOM 850 O LEU A 54 3.354 -0.291 -9.790 1.00 0.00 O ATOM 851 CB LEU A 54 3.078 -3.541 -9.172 1.00 0.00 C ATOM 852 CG LEU A 54 4.030 -3.446 -7.984 1.00 0.00 C ATOM 853 CD1 LEU A 54 3.256 -3.348 -6.678 1.00 0.00 C ATOM 854 CD2 LEU A 54 4.970 -4.639 -7.966 1.00 0.00 C ATOM 0 H LEU A 54 0.797 -3.739 -10.089 1.00 0.00 H new ATOM 0 HA LEU A 54 1.969 -1.872 -8.399 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.455 -4.427 -9.049 1.00 0.00 H new ATOM 0 HB3 LEU A 54 3.665 -3.687 -10.078 1.00 0.00 H new ATOM 0 HG LEU A 54 4.625 -2.539 -8.090 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.955 -3.281 -5.845 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.625 -2.459 -6.695 1.00 0.00 H new ATOM 0 HD13 LEU A 54 2.632 -4.233 -6.558 1.00 0.00 H new ATOM 0 HD21 LEU A 54 5.644 -4.558 -7.113 1.00 0.00 H new ATOM 0 HD22 LEU A 54 4.390 -5.558 -7.884 1.00 0.00 H new ATOM 0 HD23 LEU A 54 5.552 -4.658 -8.888 1.00 0.00 H new ATOM 866 N GLN A 55 2.876 -1.587 -11.559 1.00 0.00 N ATOM 867 CA GLN A 55 3.493 -0.682 -12.513 1.00 0.00 C ATOM 868 C GLN A 55 2.718 0.627 -12.554 1.00 0.00 C ATOM 869 O GLN A 55 3.296 1.706 -12.687 1.00 0.00 O ATOM 870 CB GLN A 55 3.540 -1.323 -13.904 1.00 0.00 C ATOM 871 CG GLN A 55 4.950 -1.615 -14.391 1.00 0.00 C ATOM 872 CD GLN A 55 5.359 -3.057 -14.163 1.00 0.00 C ATOM 873 OE1 GLN A 55 5.653 -3.460 -13.038 1.00 0.00 O ATOM 874 NE2 GLN A 55 5.378 -3.843 -15.233 1.00 0.00 N ATOM 0 H GLN A 55 2.469 -2.427 -11.971 1.00 0.00 H new ATOM 0 HA GLN A 55 4.516 -0.477 -12.198 1.00 0.00 H new ATOM 0 HB2 GLN A 55 2.971 -2.252 -13.886 1.00 0.00 H new ATOM 0 HB3 GLN A 55 3.048 -0.661 -14.617 1.00 0.00 H new ATOM 0 HG2 GLN A 55 5.018 -1.386 -15.454 1.00 0.00 H new ATOM 0 HG3 GLN A 55 5.651 -0.957 -13.878 1.00 0.00 H new ATOM 0 HE21 GLN A 55 5.127 -3.466 -16.147 1.00 0.00 H new ATOM 0 HE22 GLN A 55 5.644 -4.823 -15.141 1.00 0.00 H new ATOM 883 N GLU A 56 1.402 0.519 -12.411 1.00 0.00 N ATOM 884 CA GLU A 56 0.535 1.689 -12.402 1.00 0.00 C ATOM 885 C GLU A 56 0.733 2.472 -11.114 1.00 0.00 C ATOM 886 O GLU A 56 0.472 3.672 -11.058 1.00 0.00 O ATOM 887 CB GLU A 56 -0.932 1.264 -12.505 1.00 0.00 C ATOM 888 CG GLU A 56 -1.835 2.310 -13.141 1.00 0.00 C ATOM 889 CD GLU A 56 -2.817 2.922 -12.155 1.00 0.00 C ATOM 890 OE1 GLU A 56 -3.358 2.176 -11.306 1.00 0.00 O ATOM 891 OE2 GLU A 56 -3.045 4.147 -12.231 1.00 0.00 O ATOM 0 H GLU A 56 0.912 -0.369 -12.300 1.00 0.00 H new ATOM 0 HA GLU A 56 0.792 2.314 -13.257 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -0.993 0.344 -13.086 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -1.305 1.036 -11.506 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -1.220 3.100 -13.571 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -2.389 1.854 -13.962 1.00 0.00 H new ATOM 898 N GLU A 57 1.173 1.772 -10.074 1.00 0.00 N ATOM 899 CA GLU A 57 1.380 2.388 -8.775 1.00 0.00 C ATOM 900 C GLU A 57 2.864 2.532 -8.434 1.00 0.00 C ATOM 901 O GLU A 57 3.213 2.934 -7.323 1.00 0.00 O ATOM 902 CB GLU A 57 0.660 1.583 -7.698 1.00 0.00 C ATOM 903 CG GLU A 57 -0.841 1.840 -7.665 1.00 0.00 C ATOM 904 CD GLU A 57 -1.494 1.665 -9.016 1.00 0.00 C ATOM 905 OE1 GLU A 57 -1.918 0.531 -9.325 1.00 0.00 O ATOM 906 OE2 GLU A 57 -1.585 2.661 -9.761 1.00 0.00 O ATOM 0 H GLU A 57 1.393 0.777 -10.109 1.00 0.00 H new ATOM 0 HA GLU A 57 0.963 3.394 -8.816 1.00 0.00 H new ATOM 0 HB2 GLU A 57 0.837 0.521 -7.867 1.00 0.00 H new ATOM 0 HB3 GLU A 57 1.086 1.826 -6.725 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -1.306 1.160 -6.951 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -1.024 2.853 -7.306 1.00 0.00 H new ATOM 913 N VAL A 58 3.737 2.220 -9.390 1.00 0.00 N ATOM 914 CA VAL A 58 5.175 2.337 -9.173 1.00 0.00 C ATOM 915 C VAL A 58 5.823 3.041 -10.356 1.00 0.00 C ATOM 916 O VAL A 58 6.638 3.946 -10.187 1.00 0.00 O ATOM 917 CB VAL A 58 5.829 0.944 -8.955 1.00 0.00 C ATOM 918 CG1 VAL A 58 6.768 0.565 -10.096 1.00 0.00 C ATOM 919 CG2 VAL A 58 6.562 0.904 -7.622 1.00 0.00 C ATOM 0 H VAL A 58 3.474 1.886 -10.317 1.00 0.00 H new ATOM 0 HA VAL A 58 5.335 2.927 -8.270 1.00 0.00 H new ATOM 0 HB VAL A 58 5.026 0.207 -8.940 1.00 0.00 H new ATOM 0 HG11 VAL A 58 7.201 -0.416 -9.900 1.00 0.00 H new ATOM 0 HG12 VAL A 58 6.210 0.535 -11.032 1.00 0.00 H new ATOM 0 HG13 VAL A 58 7.565 1.305 -10.173 1.00 0.00 H new ATOM 0 HG21 VAL A 58 7.014 -0.078 -7.485 1.00 0.00 H new ATOM 0 HG22 VAL A 58 7.341 1.667 -7.612 1.00 0.00 H new ATOM 0 HG23 VAL A 58 5.857 1.095 -6.813 1.00 0.00 H new ATOM 929 N GLY A 59 5.428 2.632 -11.554 1.00 0.00 N ATOM 930 CA GLY A 59 5.945 3.235 -12.763 1.00 0.00 C ATOM 931 C GLY A 59 7.415 2.967 -13.019 1.00 0.00 C ATOM 932 O GLY A 59 7.826 2.781 -14.165 1.00 0.00 O ATOM 0 H GLY A 59 4.751 1.885 -11.709 1.00 0.00 H new ATOM 0 HA2 GLY A 59 5.368 2.868 -13.612 1.00 0.00 H new ATOM 0 HA3 GLY A 59 5.788 4.312 -12.713 1.00 0.00 H new ATOM 936 N ILE A 60 8.206 2.956 -11.966 1.00 0.00 N ATOM 937 CA ILE A 60 9.637 2.719 -12.093 1.00 0.00 C ATOM 938 C ILE A 60 9.945 1.229 -12.071 1.00 0.00 C ATOM 939 O ILE A 60 9.038 0.397 -12.064 1.00 0.00 O ATOM 940 CB ILE A 60 10.466 3.419 -10.986 1.00 0.00 C ATOM 941 CG1 ILE A 60 9.587 3.918 -9.836 1.00 0.00 C ATOM 942 CG2 ILE A 60 11.267 4.572 -11.572 1.00 0.00 C ATOM 943 CD1 ILE A 60 9.061 2.809 -8.951 1.00 0.00 C ATOM 0 H ILE A 60 7.886 3.108 -11.010 1.00 0.00 H new ATOM 0 HA ILE A 60 9.926 3.148 -13.052 1.00 0.00 H new ATOM 0 HB ILE A 60 11.150 2.676 -10.577 1.00 0.00 H new ATOM 0 HG12 ILE A 60 10.161 4.616 -9.227 1.00 0.00 H new ATOM 0 HG13 ILE A 60 8.744 4.473 -10.248 1.00 0.00 H new ATOM 0 HG21 ILE A 60 11.844 5.053 -10.782 1.00 0.00 H new ATOM 0 HG22 ILE A 60 11.945 4.193 -12.336 1.00 0.00 H new ATOM 0 HG23 ILE A 60 10.587 5.298 -12.018 1.00 0.00 H new ATOM 0 HD11 ILE A 60 8.447 3.236 -8.158 1.00 0.00 H new ATOM 0 HD12 ILE A 60 8.459 2.123 -9.547 1.00 0.00 H new ATOM 0 HD13 ILE A 60 9.898 2.268 -8.510 1.00 0.00 H new ATOM 955 N THR A 61 11.231 0.903 -12.070 1.00 0.00 N ATOM 956 CA THR A 61 11.672 -0.470 -12.059 1.00 0.00 C ATOM 957 C THR A 61 12.385 -0.791 -10.751 1.00 0.00 C ATOM 958 O THR A 61 13.599 -0.616 -10.641 1.00 0.00 O ATOM 959 CB THR A 61 12.623 -0.667 -13.223 1.00 0.00 C ATOM 960 OG1 THR A 61 13.366 0.517 -13.462 1.00 0.00 O ATOM 961 CG2 THR A 61 11.923 -1.032 -14.511 1.00 0.00 C ATOM 0 H THR A 61 11.989 1.586 -12.077 1.00 0.00 H new ATOM 0 HA THR A 61 10.813 -1.135 -12.149 1.00 0.00 H new ATOM 0 HB THR A 61 13.271 -1.494 -12.933 1.00 0.00 H new ATOM 0 HG1 THR A 61 13.977 0.374 -14.215 1.00 0.00 H new ATOM 0 HG21 THR A 61 12.661 -1.158 -15.303 1.00 0.00 H new ATOM 0 HG22 THR A 61 11.373 -1.963 -14.375 1.00 0.00 H new ATOM 0 HG23 THR A 61 11.229 -0.238 -14.785 1.00 0.00 H new ATOM 969 N PRO A 62 11.640 -1.224 -9.724 1.00 0.00 N ATOM 970 CA PRO A 62 12.179 -1.521 -8.417 1.00 0.00 C ATOM 971 C PRO A 62 12.166 -2.999 -8.070 1.00 0.00 C ATOM 972 O PRO A 62 11.221 -3.709 -8.415 1.00 0.00 O ATOM 973 CB PRO A 62 11.140 -0.813 -7.565 1.00 0.00 C ATOM 974 CG PRO A 62 9.844 -1.143 -8.246 1.00 0.00 C ATOM 975 CD PRO A 62 10.181 -1.405 -9.700 1.00 0.00 C ATOM 0 HA PRO A 62 13.222 -1.226 -8.304 1.00 0.00 H new ATOM 0 HB2 PRO A 62 11.155 -1.170 -6.535 1.00 0.00 H new ATOM 0 HB3 PRO A 62 11.313 0.263 -7.532 1.00 0.00 H new ATOM 0 HG2 PRO A 62 9.378 -2.017 -7.792 1.00 0.00 H new ATOM 0 HG3 PRO A 62 9.136 -0.320 -8.153 1.00 0.00 H new ATOM 0 HD2 PRO A 62 9.891 -2.409 -10.010 1.00 0.00 H new ATOM 0 HD3 PRO A 62 9.674 -0.707 -10.367 1.00 0.00 H new ATOM 983 N GLN A 63 13.166 -3.452 -7.320 1.00 0.00 N ATOM 984 CA GLN A 63 13.164 -4.831 -6.878 1.00 0.00 C ATOM 985 C GLN A 63 12.129 -4.904 -5.773 1.00 0.00 C ATOM 986 O GLN A 63 12.444 -4.830 -4.585 1.00 0.00 O ATOM 987 CB GLN A 63 14.539 -5.255 -6.367 1.00 0.00 C ATOM 988 CG GLN A 63 15.678 -4.802 -7.263 1.00 0.00 C ATOM 989 CD GLN A 63 17.042 -5.063 -6.654 1.00 0.00 C ATOM 990 OE1 GLN A 63 17.350 -6.185 -6.253 1.00 0.00 O ATOM 991 NE2 GLN A 63 17.865 -4.024 -6.582 1.00 0.00 N ATOM 0 H GLN A 63 13.966 -2.897 -7.015 1.00 0.00 H new ATOM 0 HA GLN A 63 12.927 -5.509 -7.698 1.00 0.00 H new ATOM 0 HB2 GLN A 63 14.689 -4.848 -5.367 1.00 0.00 H new ATOM 0 HB3 GLN A 63 14.567 -6.341 -6.277 1.00 0.00 H new ATOM 0 HG2 GLN A 63 15.608 -5.317 -8.221 1.00 0.00 H new ATOM 0 HG3 GLN A 63 15.573 -3.736 -7.466 1.00 0.00 H new ATOM 0 HE21 GLN A 63 17.566 -3.112 -6.927 1.00 0.00 H new ATOM 0 HE22 GLN A 63 18.796 -4.138 -6.181 1.00 0.00 H new ATOM 1000 N HIS A 64 10.883 -4.978 -6.201 1.00 0.00 N ATOM 1001 CA HIS A 64 9.744 -4.980 -5.302 1.00 0.00 C ATOM 1002 C HIS A 64 8.942 -6.261 -5.448 1.00 0.00 C ATOM 1003 O HIS A 64 8.636 -6.689 -6.561 1.00 0.00 O ATOM 1004 CB HIS A 64 8.897 -3.740 -5.637 1.00 0.00 C ATOM 1005 CG HIS A 64 7.446 -3.792 -5.232 1.00 0.00 C ATOM 1006 ND1 HIS A 64 6.779 -2.700 -4.715 1.00 0.00 N ATOM 1007 CD2 HIS A 64 6.524 -4.789 -5.294 1.00 0.00 C ATOM 1008 CE1 HIS A 64 5.521 -3.023 -4.475 1.00 0.00 C ATOM 1009 NE2 HIS A 64 5.341 -4.283 -4.817 1.00 0.00 N ATOM 0 H HIS A 64 10.631 -5.039 -7.187 1.00 0.00 H new ATOM 0 HA HIS A 64 10.071 -4.940 -4.263 1.00 0.00 H new ATOM 0 HB2 HIS A 64 9.355 -2.874 -5.159 1.00 0.00 H new ATOM 0 HB3 HIS A 64 8.946 -3.573 -6.713 1.00 0.00 H new ATOM 0 HD1 HIS A 64 7.194 -1.784 -4.544 1.00 0.00 H new ATOM 0 HD2 HIS A 64 6.692 -5.794 -5.653 1.00 0.00 H new ATOM 0 HE1 HIS A 64 4.767 -2.366 -4.067 1.00 0.00 H new ATOM 1018 N PHE A 65 8.611 -6.877 -4.319 1.00 0.00 N ATOM 1019 CA PHE A 65 7.855 -8.116 -4.326 1.00 0.00 C ATOM 1020 C PHE A 65 7.588 -8.596 -2.891 1.00 0.00 C ATOM 1021 O PHE A 65 7.246 -7.799 -2.022 1.00 0.00 O ATOM 1022 CB PHE A 65 8.644 -9.160 -5.114 1.00 0.00 C ATOM 1023 CG PHE A 65 7.786 -10.141 -5.864 1.00 0.00 C ATOM 1024 CD1 PHE A 65 6.556 -10.541 -5.362 1.00 0.00 C ATOM 1025 CD2 PHE A 65 8.207 -10.659 -7.079 1.00 0.00 C ATOM 1026 CE1 PHE A 65 5.766 -11.438 -6.056 1.00 0.00 C ATOM 1027 CE2 PHE A 65 7.422 -11.556 -7.777 1.00 0.00 C ATOM 1028 CZ PHE A 65 6.200 -11.945 -7.265 1.00 0.00 C ATOM 0 H PHE A 65 8.856 -6.536 -3.389 1.00 0.00 H new ATOM 0 HA PHE A 65 6.887 -7.957 -4.800 1.00 0.00 H new ATOM 0 HB2 PHE A 65 9.296 -8.649 -5.822 1.00 0.00 H new ATOM 0 HB3 PHE A 65 9.288 -9.708 -4.426 1.00 0.00 H new ATOM 0 HD1 PHE A 65 6.212 -10.147 -4.417 1.00 0.00 H new ATOM 0 HD2 PHE A 65 9.161 -10.357 -7.485 1.00 0.00 H new ATOM 0 HE1 PHE A 65 4.811 -11.742 -5.653 1.00 0.00 H new ATOM 0 HE2 PHE A 65 7.763 -11.952 -8.722 1.00 0.00 H new ATOM 0 HZ PHE A 65 5.584 -12.645 -7.810 1.00 0.00 H new ATOM 1038 N SER A 66 7.753 -9.897 -2.656 1.00 0.00 N ATOM 1039 CA SER A 66 7.550 -10.496 -1.339 1.00 0.00 C ATOM 1040 C SER A 66 6.174 -10.170 -0.773 1.00 0.00 C ATOM 1041 O SER A 66 5.488 -9.270 -1.252 1.00 0.00 O ATOM 1042 CB SER A 66 8.638 -10.027 -0.374 1.00 0.00 C ATOM 1043 OG SER A 66 9.798 -9.611 -1.074 1.00 0.00 O ATOM 0 H SER A 66 8.031 -10.565 -3.374 1.00 0.00 H new ATOM 0 HA SER A 66 7.611 -11.578 -1.457 1.00 0.00 H new ATOM 0 HB2 SER A 66 8.260 -9.203 0.232 1.00 0.00 H new ATOM 0 HB3 SER A 66 8.894 -10.835 0.311 1.00 0.00 H new ATOM 0 HG SER A 66 9.838 -8.632 -1.087 1.00 0.00 H new ATOM 1049 N LEU A 67 5.782 -10.909 0.262 1.00 0.00 N ATOM 1050 CA LEU A 67 4.493 -10.702 0.904 1.00 0.00 C ATOM 1051 C LEU A 67 4.659 -10.537 2.412 1.00 0.00 C ATOM 1052 O LEU A 67 4.965 -11.496 3.122 1.00 0.00 O ATOM 1053 CB LEU A 67 3.553 -11.873 0.607 1.00 0.00 C ATOM 1054 CG LEU A 67 2.215 -11.832 1.349 1.00 0.00 C ATOM 1055 CD1 LEU A 67 1.138 -12.548 0.552 1.00 0.00 C ATOM 1056 CD2 LEU A 67 2.358 -12.446 2.734 1.00 0.00 C ATOM 0 H LEU A 67 6.342 -11.657 0.672 1.00 0.00 H new ATOM 0 HA LEU A 67 4.058 -9.788 0.500 1.00 0.00 H new ATOM 0 HB2 LEU A 67 3.356 -11.899 -0.465 1.00 0.00 H new ATOM 0 HB3 LEU A 67 4.063 -12.802 0.860 1.00 0.00 H new ATOM 0 HG LEU A 67 1.915 -10.790 1.464 1.00 0.00 H new ATOM 0 HD11 LEU A 67 0.195 -12.507 1.097 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.019 -12.063 -0.417 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.427 -13.589 0.403 1.00 0.00 H new ATOM 0 HD21 LEU A 67 1.398 -12.409 3.249 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.680 -13.483 2.641 1.00 0.00 H new ATOM 0 HD23 LEU A 67 3.098 -11.886 3.306 1.00 0.00 H new ATOM 1068 N PHE A 68 4.454 -9.316 2.894 1.00 0.00 N ATOM 1069 CA PHE A 68 4.577 -9.025 4.317 1.00 0.00 C ATOM 1070 C PHE A 68 3.348 -9.527 5.068 1.00 0.00 C ATOM 1071 O PHE A 68 3.458 -10.119 6.141 1.00 0.00 O ATOM 1072 CB PHE A 68 4.773 -7.512 4.523 1.00 0.00 C ATOM 1073 CG PHE A 68 3.887 -6.892 5.574 1.00 0.00 C ATOM 1074 CD1 PHE A 68 2.542 -6.668 5.325 1.00 0.00 C ATOM 1075 CD2 PHE A 68 4.403 -6.529 6.808 1.00 0.00 C ATOM 1076 CE1 PHE A 68 1.729 -6.095 6.284 1.00 0.00 C ATOM 1077 CE2 PHE A 68 3.596 -5.954 7.770 1.00 0.00 C ATOM 1078 CZ PHE A 68 2.257 -5.736 7.508 1.00 0.00 C ATOM 0 H PHE A 68 4.202 -8.512 2.320 1.00 0.00 H new ATOM 0 HA PHE A 68 5.448 -9.544 4.717 1.00 0.00 H new ATOM 0 HB2 PHE A 68 5.813 -7.329 4.792 1.00 0.00 H new ATOM 0 HB3 PHE A 68 4.595 -7.005 3.574 1.00 0.00 H new ATOM 0 HD1 PHE A 68 2.124 -6.945 4.369 1.00 0.00 H new ATOM 0 HD2 PHE A 68 5.448 -6.698 7.020 1.00 0.00 H new ATOM 0 HE1 PHE A 68 0.682 -5.928 6.076 1.00 0.00 H new ATOM 0 HE2 PHE A 68 4.011 -5.675 8.727 1.00 0.00 H new ATOM 0 HZ PHE A 68 1.625 -5.286 8.259 1.00 0.00 H new ATOM 1088 N GLU A 69 2.178 -9.284 4.491 1.00 0.00 N ATOM 1089 CA GLU A 69 0.922 -9.706 5.093 1.00 0.00 C ATOM 1090 C GLU A 69 -0.232 -9.492 4.126 1.00 0.00 C ATOM 1091 O GLU A 69 -0.152 -8.663 3.221 1.00 0.00 O ATOM 1092 CB GLU A 69 0.668 -8.939 6.392 1.00 0.00 C ATOM 1093 CG GLU A 69 -0.008 -9.773 7.468 1.00 0.00 C ATOM 1094 CD GLU A 69 -0.268 -8.986 8.738 1.00 0.00 C ATOM 1095 OE1 GLU A 69 0.394 -7.946 8.937 1.00 0.00 O ATOM 1096 OE2 GLU A 69 -1.133 -9.409 9.532 1.00 0.00 O ATOM 0 H GLU A 69 2.074 -8.794 3.602 1.00 0.00 H new ATOM 0 HA GLU A 69 0.993 -10.769 5.322 1.00 0.00 H new ATOM 0 HB2 GLU A 69 1.618 -8.566 6.776 1.00 0.00 H new ATOM 0 HB3 GLU A 69 0.048 -8.069 6.175 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -0.952 -10.158 7.084 1.00 0.00 H new ATOM 0 HG3 GLU A 69 0.617 -10.635 7.701 1.00 0.00 H new ATOM 1103 N LYS A 70 -1.301 -10.246 4.318 1.00 0.00 N ATOM 1104 CA LYS A 70 -2.468 -10.139 3.457 1.00 0.00 C ATOM 1105 C LYS A 70 -3.751 -10.320 4.264 1.00 0.00 C ATOM 1106 O LYS A 70 -4.085 -11.434 4.669 1.00 0.00 O ATOM 1107 CB LYS A 70 -2.395 -11.189 2.350 1.00 0.00 C ATOM 1108 CG LYS A 70 -3.228 -10.843 1.129 1.00 0.00 C ATOM 1109 CD LYS A 70 -4.150 -11.989 0.739 1.00 0.00 C ATOM 1110 CE LYS A 70 -3.363 -13.244 0.396 1.00 0.00 C ATOM 1111 NZ LYS A 70 -2.606 -13.096 -0.877 1.00 0.00 N ATOM 0 H LYS A 70 -1.386 -10.939 5.062 1.00 0.00 H new ATOM 0 HA LYS A 70 -2.479 -9.145 3.009 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -1.355 -11.314 2.047 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -2.728 -12.148 2.747 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -3.821 -9.951 1.333 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -2.569 -10.604 0.294 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -4.836 -12.201 1.559 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -4.758 -11.694 -0.116 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -2.670 -13.470 1.206 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -4.046 -14.090 0.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -2.529 -14.022 -1.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -3.105 -12.432 -1.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -1.654 -12.731 -0.674 1.00 0.00 H new ATOM 1125 N LEU A 71 -4.463 -9.224 4.502 1.00 0.00 N ATOM 1126 CA LEU A 71 -5.700 -9.272 5.265 1.00 0.00 C ATOM 1127 C LEU A 71 -6.913 -9.330 4.340 1.00 0.00 C ATOM 1128 O LEU A 71 -6.985 -8.603 3.349 1.00 0.00 O ATOM 1129 CB LEU A 71 -5.797 -8.051 6.181 1.00 0.00 C ATOM 1130 CG LEU A 71 -7.126 -7.904 6.921 1.00 0.00 C ATOM 1131 CD1 LEU A 71 -6.985 -8.342 8.371 1.00 0.00 C ATOM 1132 CD2 LEU A 71 -7.630 -6.470 6.840 1.00 0.00 C ATOM 0 H LEU A 71 -4.203 -8.293 4.177 1.00 0.00 H new ATOM 0 HA LEU A 71 -5.692 -10.177 5.872 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -4.993 -8.101 6.915 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -5.629 -7.154 5.585 1.00 0.00 H new ATOM 0 HG LEU A 71 -7.858 -8.551 6.439 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -7.942 -8.229 8.880 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -6.676 -9.387 8.407 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -6.236 -7.724 8.866 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -8.577 -6.387 7.373 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -6.898 -5.801 7.293 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -7.776 -6.194 5.796 1.00 0.00 H new ATOM 1144 N GLU A 72 -7.864 -10.194 4.678 1.00 0.00 N ATOM 1145 CA GLU A 72 -9.076 -10.345 3.888 1.00 0.00 C ATOM 1146 C GLU A 72 -10.289 -10.519 4.801 1.00 0.00 C ATOM 1147 O GLU A 72 -10.447 -11.553 5.450 1.00 0.00 O ATOM 1148 CB GLU A 72 -8.937 -11.544 2.941 1.00 0.00 C ATOM 1149 CG GLU A 72 -10.261 -12.145 2.502 1.00 0.00 C ATOM 1150 CD GLU A 72 -10.117 -13.069 1.309 1.00 0.00 C ATOM 1151 OE1 GLU A 72 -9.121 -12.930 0.567 1.00 0.00 O ATOM 1152 OE2 GLU A 72 -10.998 -13.933 1.115 1.00 0.00 O ATOM 0 H GLU A 72 -7.817 -10.801 5.496 1.00 0.00 H new ATOM 0 HA GLU A 72 -9.224 -9.444 3.292 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -8.381 -11.232 2.057 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -8.346 -12.316 3.434 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -10.698 -12.698 3.334 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -10.955 -11.342 2.253 1.00 0.00 H new ATOM 1159 N TYR A 73 -11.141 -9.500 4.845 1.00 0.00 N ATOM 1160 CA TYR A 73 -12.339 -9.538 5.675 1.00 0.00 C ATOM 1161 C TYR A 73 -13.517 -8.888 4.957 1.00 0.00 C ATOM 1162 O TYR A 73 -13.333 -8.006 4.119 1.00 0.00 O ATOM 1163 CB TYR A 73 -12.085 -8.831 7.008 1.00 0.00 C ATOM 1164 CG TYR A 73 -11.823 -7.348 6.869 1.00 0.00 C ATOM 1165 CD1 TYR A 73 -10.728 -6.880 6.154 1.00 0.00 C ATOM 1166 CD2 TYR A 73 -12.672 -6.416 7.453 1.00 0.00 C ATOM 1167 CE1 TYR A 73 -10.485 -5.525 6.025 1.00 0.00 C ATOM 1168 CE2 TYR A 73 -12.437 -5.060 7.327 1.00 0.00 C ATOM 1169 CZ TYR A 73 -11.343 -4.620 6.613 1.00 0.00 C ATOM 1170 OH TYR A 73 -11.105 -3.271 6.486 1.00 0.00 O ATOM 0 H TYR A 73 -11.023 -8.637 4.315 1.00 0.00 H new ATOM 0 HA TYR A 73 -12.585 -10.582 5.868 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -12.947 -8.979 7.658 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -11.231 -9.297 7.500 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -10.055 -7.586 5.691 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -13.529 -6.757 8.014 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -9.628 -5.178 5.467 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -13.107 -4.348 7.786 1.00 0.00 H new ATOM 0 HH TYR A 73 -11.803 -2.770 6.958 1.00 0.00 H new ATOM 1180 N GLU A 74 -14.727 -9.327 5.289 1.00 0.00 N ATOM 1181 CA GLU A 74 -15.929 -8.777 4.670 1.00 0.00 C ATOM 1182 C GLU A 74 -16.864 -8.179 5.713 1.00 0.00 C ATOM 1183 O GLU A 74 -17.106 -8.770 6.765 1.00 0.00 O ATOM 1184 CB GLU A 74 -16.668 -9.846 3.861 1.00 0.00 C ATOM 1185 CG GLU A 74 -16.666 -11.220 4.511 1.00 0.00 C ATOM 1186 CD GLU A 74 -16.955 -12.333 3.522 1.00 0.00 C ATOM 1187 OE1 GLU A 74 -17.871 -12.166 2.691 1.00 0.00 O ATOM 1188 OE2 GLU A 74 -16.262 -13.371 3.580 1.00 0.00 O ATOM 0 H GLU A 74 -14.901 -10.058 5.979 1.00 0.00 H new ATOM 0 HA GLU A 74 -15.611 -7.983 3.995 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -17.699 -9.527 3.712 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -16.212 -9.921 2.874 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -15.697 -11.396 4.977 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -17.411 -11.243 5.306 1.00 0.00 H new ATOM 1195 N PHE A 75 -17.387 -7.002 5.402 1.00 0.00 N ATOM 1196 CA PHE A 75 -18.299 -6.297 6.281 1.00 0.00 C ATOM 1197 C PHE A 75 -19.739 -6.481 5.804 1.00 0.00 C ATOM 1198 O PHE A 75 -19.972 -6.874 4.662 1.00 0.00 O ATOM 1199 CB PHE A 75 -17.940 -4.813 6.315 1.00 0.00 C ATOM 1200 CG PHE A 75 -17.127 -4.399 7.514 1.00 0.00 C ATOM 1201 CD1 PHE A 75 -17.347 -4.964 8.763 1.00 0.00 C ATOM 1202 CD2 PHE A 75 -16.136 -3.438 7.385 1.00 0.00 C ATOM 1203 CE1 PHE A 75 -16.594 -4.577 9.856 1.00 0.00 C ATOM 1204 CE2 PHE A 75 -15.381 -3.049 8.475 1.00 0.00 C ATOM 1205 CZ PHE A 75 -15.611 -3.618 9.712 1.00 0.00 C ATOM 0 H PHE A 75 -17.188 -6.511 4.530 1.00 0.00 H new ATOM 0 HA PHE A 75 -18.211 -6.707 7.287 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -17.384 -4.565 5.411 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -18.860 -4.228 6.295 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -18.115 -5.714 8.882 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -15.952 -2.988 6.421 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -16.775 -5.025 10.822 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -14.611 -2.300 8.359 1.00 0.00 H new ATOM 0 HZ PHE A 75 -15.023 -3.314 10.565 1.00 0.00 H new ATOM 1215 N PRO A 76 -20.725 -6.196 6.673 1.00 0.00 N ATOM 1216 CA PRO A 76 -22.144 -6.329 6.334 1.00 0.00 C ATOM 1217 C PRO A 76 -22.505 -5.560 5.068 1.00 0.00 C ATOM 1218 O PRO A 76 -22.996 -4.433 5.132 1.00 0.00 O ATOM 1219 CB PRO A 76 -22.878 -5.744 7.550 1.00 0.00 C ATOM 1220 CG PRO A 76 -21.837 -5.025 8.339 1.00 0.00 C ATOM 1221 CD PRO A 76 -20.537 -5.713 8.041 1.00 0.00 C ATOM 0 HA PRO A 76 -22.414 -7.365 6.129 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -23.672 -5.066 7.239 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -23.345 -6.531 8.142 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -21.794 -3.973 8.059 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -22.062 -5.062 9.405 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -19.692 -5.028 8.114 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -20.345 -6.531 8.735 1.00 0.00 H new ATOM 1229 N ASP A 77 -22.249 -6.194 3.925 1.00 0.00 N ATOM 1230 CA ASP A 77 -22.528 -5.617 2.602 1.00 0.00 C ATOM 1231 C ASP A 77 -21.310 -4.886 2.037 1.00 0.00 C ATOM 1232 O ASP A 77 -21.406 -4.214 1.011 1.00 0.00 O ATOM 1233 CB ASP A 77 -23.734 -4.669 2.638 1.00 0.00 C ATOM 1234 CG ASP A 77 -24.919 -5.264 3.373 1.00 0.00 C ATOM 1235 OD1 ASP A 77 -24.956 -6.502 3.537 1.00 0.00 O ATOM 1236 OD2 ASP A 77 -25.812 -4.493 3.783 1.00 0.00 O ATOM 0 H ASP A 77 -21.840 -7.128 3.886 1.00 0.00 H new ATOM 0 HA ASP A 77 -22.766 -6.453 1.944 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -23.444 -3.735 3.119 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -24.029 -4.423 1.618 1.00 0.00 H new ATOM 1241 N ARG A 78 -20.163 -5.025 2.700 1.00 0.00 N ATOM 1242 CA ARG A 78 -18.936 -4.378 2.242 1.00 0.00 C ATOM 1243 C ARG A 78 -17.746 -5.329 2.352 1.00 0.00 C ATOM 1244 O ARG A 78 -17.115 -5.423 3.403 1.00 0.00 O ATOM 1245 CB ARG A 78 -18.666 -3.107 3.049 1.00 0.00 C ATOM 1246 CG ARG A 78 -17.741 -2.127 2.345 1.00 0.00 C ATOM 1247 CD ARG A 78 -17.694 -0.785 3.060 1.00 0.00 C ATOM 1248 NE ARG A 78 -16.946 -0.856 4.315 1.00 0.00 N ATOM 1249 CZ ARG A 78 -16.313 0.181 4.865 1.00 0.00 C ATOM 1250 NH1 ARG A 78 -16.338 1.371 4.279 1.00 0.00 N ATOM 1251 NH2 ARG A 78 -15.657 0.026 6.009 1.00 0.00 N ATOM 0 H ARG A 78 -20.058 -5.577 3.551 1.00 0.00 H new ATOM 0 HA ARG A 78 -19.069 -4.109 1.194 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -19.614 -2.612 3.260 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -18.229 -3.382 4.009 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -16.737 -2.547 2.294 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -18.078 -1.981 1.319 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -17.236 -0.043 2.407 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -18.710 -0.447 3.263 1.00 0.00 H new ATOM 0 HE ARG A 78 -16.906 -1.753 4.799 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -16.844 1.497 3.402 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -15.852 2.160 4.705 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -15.638 -0.886 6.466 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -15.173 0.818 6.430 1.00 0.00 H new ATOM 1265 N HIS A 79 -17.443 -6.029 1.264 1.00 0.00 N ATOM 1266 CA HIS A 79 -16.328 -6.969 1.249 1.00 0.00 C ATOM 1267 C HIS A 79 -15.040 -6.281 0.807 1.00 0.00 C ATOM 1268 O HIS A 79 -14.870 -5.956 -0.367 1.00 0.00 O ATOM 1269 CB HIS A 79 -16.642 -8.146 0.320 1.00 0.00 C ATOM 1270 CG HIS A 79 -15.522 -9.136 0.201 1.00 0.00 C ATOM 1271 ND1 HIS A 79 -14.304 -8.829 -0.369 1.00 0.00 N ATOM 1272 CD2 HIS A 79 -15.442 -10.434 0.579 1.00 0.00 C ATOM 1273 CE1 HIS A 79 -13.524 -9.896 -0.335 1.00 0.00 C ATOM 1274 NE2 HIS A 79 -14.191 -10.881 0.235 1.00 0.00 N ATOM 0 H HIS A 79 -17.953 -5.964 0.383 1.00 0.00 H new ATOM 0 HA HIS A 79 -16.185 -7.343 2.263 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -17.531 -8.659 0.686 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -16.882 -7.761 -0.671 1.00 0.00 H new ATOM 0 HD1 HIS A 79 -14.046 -7.921 -0.756 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -16.218 -11.010 1.061 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -12.513 -9.952 -0.710 1.00 0.00 H new ATOM 1283 N ILE A 80 -14.135 -6.066 1.756 1.00 0.00 N ATOM 1284 CA ILE A 80 -12.864 -5.425 1.468 1.00 0.00 C ATOM 1285 C ILE A 80 -11.724 -6.437 1.520 1.00 0.00 C ATOM 1286 O ILE A 80 -11.747 -7.375 2.317 1.00 0.00 O ATOM 1287 CB ILE A 80 -12.576 -4.276 2.463 1.00 0.00 C ATOM 1288 CG1 ILE A 80 -11.119 -3.828 2.360 1.00 0.00 C ATOM 1289 CG2 ILE A 80 -12.890 -4.716 3.886 1.00 0.00 C ATOM 1290 CD1 ILE A 80 -10.772 -2.678 3.280 1.00 0.00 C ATOM 0 H ILE A 80 -14.262 -6.329 2.733 1.00 0.00 H new ATOM 0 HA ILE A 80 -12.931 -5.009 0.463 1.00 0.00 H new ATOM 0 HB ILE A 80 -13.217 -3.432 2.207 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -10.471 -4.674 2.589 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -10.910 -3.535 1.331 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -12.682 -3.897 4.574 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -13.942 -4.992 3.958 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -12.271 -5.574 4.146 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -9.722 -2.414 3.153 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -11.395 -1.817 3.037 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -10.949 -2.973 4.314 1.00 0.00 H new ATOM 1302 N THR A 81 -10.725 -6.228 0.674 1.00 0.00 N ATOM 1303 CA THR A 81 -9.564 -7.108 0.626 1.00 0.00 C ATOM 1304 C THR A 81 -8.285 -6.282 0.584 1.00 0.00 C ATOM 1305 O THR A 81 -8.074 -5.500 -0.340 1.00 0.00 O ATOM 1306 CB THR A 81 -9.641 -8.028 -0.596 1.00 0.00 C ATOM 1307 OG1 THR A 81 -10.885 -7.885 -1.256 1.00 0.00 O ATOM 1308 CG2 THR A 81 -9.470 -9.492 -0.254 1.00 0.00 C ATOM 0 H THR A 81 -10.695 -5.455 0.010 1.00 0.00 H new ATOM 0 HA THR A 81 -9.556 -7.726 1.524 1.00 0.00 H new ATOM 0 HB THR A 81 -8.816 -7.722 -1.239 1.00 0.00 H new ATOM 0 HG1 THR A 81 -10.979 -8.587 -1.933 1.00 0.00 H new ATOM 0 HG21 THR A 81 -9.535 -10.088 -1.164 1.00 0.00 H new ATOM 0 HG22 THR A 81 -8.496 -9.646 0.212 1.00 0.00 H new ATOM 0 HG23 THR A 81 -10.255 -9.798 0.437 1.00 0.00 H new ATOM 1316 N LEU A 82 -7.439 -6.447 1.592 1.00 0.00 N ATOM 1317 CA LEU A 82 -6.190 -5.698 1.660 1.00 0.00 C ATOM 1318 C LEU A 82 -4.983 -6.632 1.603 1.00 0.00 C ATOM 1319 O LEU A 82 -4.753 -7.421 2.519 1.00 0.00 O ATOM 1320 CB LEU A 82 -6.155 -4.866 2.948 1.00 0.00 C ATOM 1321 CG LEU A 82 -6.111 -3.348 2.748 1.00 0.00 C ATOM 1322 CD1 LEU A 82 -7.406 -2.846 2.140 1.00 0.00 C ATOM 1323 CD2 LEU A 82 -5.839 -2.646 4.070 1.00 0.00 C ATOM 0 H LEU A 82 -7.593 -7.089 2.370 1.00 0.00 H new ATOM 0 HA LEU A 82 -6.140 -5.033 0.798 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -7.034 -5.112 3.543 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -5.283 -5.164 3.530 1.00 0.00 H new ATOM 0 HG LEU A 82 -5.299 -3.119 2.058 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -7.351 -1.765 2.008 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -7.562 -3.323 1.172 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -8.237 -3.088 2.802 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -5.811 -1.568 3.911 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -6.630 -2.887 4.780 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -4.881 -2.979 4.468 1.00 0.00 H new ATOM 1335 N TRP A 83 -4.207 -6.525 0.526 1.00 0.00 N ATOM 1336 CA TRP A 83 -3.013 -7.348 0.359 1.00 0.00 C ATOM 1337 C TRP A 83 -1.772 -6.496 0.568 1.00 0.00 C ATOM 1338 O TRP A 83 -1.581 -5.488 -0.109 1.00 0.00 O ATOM 1339 CB TRP A 83 -2.973 -7.989 -1.032 1.00 0.00 C ATOM 1340 CG TRP A 83 -4.150 -8.869 -1.332 1.00 0.00 C ATOM 1341 CD1 TRP A 83 -5.424 -8.715 -0.877 1.00 0.00 C ATOM 1342 CD2 TRP A 83 -4.157 -10.038 -2.159 1.00 0.00 C ATOM 1343 NE1 TRP A 83 -6.227 -9.716 -1.369 1.00 0.00 N ATOM 1344 CE2 TRP A 83 -5.472 -10.541 -2.159 1.00 0.00 C ATOM 1345 CE3 TRP A 83 -3.182 -10.709 -2.900 1.00 0.00 C ATOM 1346 CZ2 TRP A 83 -5.835 -11.682 -2.871 1.00 0.00 C ATOM 1347 CZ3 TRP A 83 -3.542 -11.842 -3.607 1.00 0.00 C ATOM 1348 CH2 TRP A 83 -4.859 -12.317 -3.588 1.00 0.00 C ATOM 0 H TRP A 83 -4.384 -5.878 -0.242 1.00 0.00 H new ATOM 0 HA TRP A 83 -3.041 -8.146 1.101 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -2.921 -7.201 -1.783 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -2.060 -8.577 -1.124 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -5.756 -7.921 -0.224 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -7.223 -9.826 -1.177 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -2.164 -10.349 -2.921 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -6.850 -12.051 -2.857 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -2.795 -12.369 -4.183 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -5.109 -13.204 -4.152 1.00 0.00 H new ATOM 1359 N PHE A 84 -0.941 -6.891 1.520 1.00 0.00 N ATOM 1360 CA PHE A 84 0.272 -6.135 1.821 1.00 0.00 C ATOM 1361 C PHE A 84 1.532 -6.908 1.426 1.00 0.00 C ATOM 1362 O PHE A 84 1.883 -7.911 2.047 1.00 0.00 O ATOM 1363 CB PHE A 84 0.317 -5.744 3.308 1.00 0.00 C ATOM 1364 CG PHE A 84 -0.670 -4.663 3.675 1.00 0.00 C ATOM 1365 CD1 PHE A 84 -1.976 -4.731 3.223 1.00 0.00 C ATOM 1366 CD2 PHE A 84 -0.294 -3.574 4.456 1.00 0.00 C ATOM 1367 CE1 PHE A 84 -2.886 -3.748 3.536 1.00 0.00 C ATOM 1368 CE2 PHE A 84 -1.208 -2.583 4.770 1.00 0.00 C ATOM 1369 CZ PHE A 84 -2.507 -2.672 4.307 1.00 0.00 C ATOM 0 H PHE A 84 -1.079 -7.722 2.095 1.00 0.00 H new ATOM 0 HA PHE A 84 0.246 -5.223 1.225 1.00 0.00 H new ATOM 0 HB2 PHE A 84 0.118 -6.628 3.914 1.00 0.00 H new ATOM 0 HB3 PHE A 84 1.323 -5.406 3.557 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -2.286 -5.568 2.615 1.00 0.00 H new ATOM 0 HD2 PHE A 84 0.720 -3.502 4.820 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -3.902 -3.821 3.176 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -0.906 -1.741 5.376 1.00 0.00 H new ATOM 0 HZ PHE A 84 -3.223 -1.900 4.549 1.00 0.00 H new ATOM 1379 N TRP A 85 2.207 -6.425 0.380 1.00 0.00 N ATOM 1380 CA TRP A 85 3.430 -7.054 -0.119 1.00 0.00 C ATOM 1381 C TRP A 85 4.668 -6.391 0.486 1.00 0.00 C ATOM 1382 O TRP A 85 4.655 -5.198 0.785 1.00 0.00 O ATOM 1383 CB TRP A 85 3.492 -6.961 -1.646 1.00 0.00 C ATOM 1384 CG TRP A 85 2.260 -7.470 -2.332 1.00 0.00 C ATOM 1385 CD1 TRP A 85 1.186 -6.732 -2.736 1.00 0.00 C ATOM 1386 CD2 TRP A 85 1.978 -8.826 -2.702 1.00 0.00 C ATOM 1387 NE1 TRP A 85 0.252 -7.544 -3.334 1.00 0.00 N ATOM 1388 CE2 TRP A 85 0.715 -8.834 -3.325 1.00 0.00 C ATOM 1389 CE3 TRP A 85 2.669 -10.033 -2.567 1.00 0.00 C ATOM 1390 CZ2 TRP A 85 0.133 -10.001 -3.811 1.00 0.00 C ATOM 1391 CZ3 TRP A 85 2.088 -11.191 -3.049 1.00 0.00 C ATOM 1392 CH2 TRP A 85 0.831 -11.167 -3.666 1.00 0.00 C ATOM 0 H TRP A 85 1.924 -5.595 -0.140 1.00 0.00 H new ATOM 0 HA TRP A 85 3.414 -8.103 0.177 1.00 0.00 H new ATOM 0 HB2 TRP A 85 3.653 -5.921 -1.931 1.00 0.00 H new ATOM 0 HB3 TRP A 85 4.354 -7.526 -2.001 1.00 0.00 H new ATOM 0 HD1 TRP A 85 1.084 -5.665 -2.605 1.00 0.00 H new ATOM 0 HE1 TRP A 85 -0.640 -7.237 -3.721 1.00 0.00 H new ATOM 0 HE3 TRP A 85 3.640 -10.061 -2.094 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 -0.837 -9.986 -4.286 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 2.612 -12.130 -2.948 1.00 0.00 H new ATOM 0 HH2 TRP A 85 0.405 -12.088 -4.035 1.00 0.00 H new ATOM 1403 N LEU A 86 5.738 -7.168 0.670 1.00 0.00 N ATOM 1404 CA LEU A 86 6.970 -6.632 1.245 1.00 0.00 C ATOM 1405 C LEU A 86 7.985 -6.274 0.155 1.00 0.00 C ATOM 1406 O LEU A 86 8.659 -7.136 -0.404 1.00 0.00 O ATOM 1407 CB LEU A 86 7.572 -7.636 2.235 1.00 0.00 C ATOM 1408 CG LEU A 86 9.040 -7.400 2.601 1.00 0.00 C ATOM 1409 CD1 LEU A 86 9.203 -6.074 3.327 1.00 0.00 C ATOM 1410 CD2 LEU A 86 9.565 -8.545 3.455 1.00 0.00 C ATOM 0 H LEU A 86 5.775 -8.159 0.432 1.00 0.00 H new ATOM 0 HA LEU A 86 6.723 -5.715 1.780 1.00 0.00 H new ATOM 0 HB2 LEU A 86 6.980 -7.617 3.150 1.00 0.00 H new ATOM 0 HB3 LEU A 86 7.477 -8.637 1.814 1.00 0.00 H new ATOM 0 HG LEU A 86 9.623 -7.360 1.681 1.00 0.00 H new ATOM 0 HD11 LEU A 86 10.253 -5.924 3.579 1.00 0.00 H new ATOM 0 HD12 LEU A 86 8.865 -5.262 2.683 1.00 0.00 H new ATOM 0 HD13 LEU A 86 8.608 -6.084 4.241 1.00 0.00 H new ATOM 0 HD21 LEU A 86 10.610 -8.362 3.707 1.00 0.00 H new ATOM 0 HD22 LEU A 86 8.978 -8.615 4.371 1.00 0.00 H new ATOM 0 HD23 LEU A 86 9.484 -9.480 2.900 1.00 0.00 H new ATOM 1422 N VAL A 87 8.083 -4.980 -0.114 1.00 0.00 N ATOM 1423 CA VAL A 87 8.997 -4.435 -1.115 1.00 0.00 C ATOM 1424 C VAL A 87 10.383 -4.248 -0.552 1.00 0.00 C ATOM 1425 O VAL A 87 10.536 -3.957 0.635 1.00 0.00 O ATOM 1426 CB VAL A 87 8.524 -3.079 -1.605 1.00 0.00 C ATOM 1427 CG1 VAL A 87 9.339 -2.619 -2.802 1.00 0.00 C ATOM 1428 CG2 VAL A 87 7.041 -3.128 -1.926 1.00 0.00 C ATOM 0 H VAL A 87 7.526 -4.269 0.360 1.00 0.00 H new ATOM 0 HA VAL A 87 9.017 -5.153 -1.935 1.00 0.00 H new ATOM 0 HB VAL A 87 8.675 -2.348 -0.811 1.00 0.00 H new ATOM 0 HG11 VAL A 87 8.980 -1.645 -3.134 1.00 0.00 H new ATOM 0 HG12 VAL A 87 10.389 -2.542 -2.519 1.00 0.00 H new ATOM 0 HG13 VAL A 87 9.234 -3.340 -3.613 1.00 0.00 H new ATOM 0 HG21 VAL A 87 6.712 -2.150 -2.277 1.00 0.00 H new ATOM 0 HG22 VAL A 87 6.861 -3.871 -2.703 1.00 0.00 H new ATOM 0 HG23 VAL A 87 6.483 -3.398 -1.029 1.00 0.00 H new ATOM 1438 N GLU A 88 11.400 -4.436 -1.383 1.00 0.00 N ATOM 1439 CA GLU A 88 12.760 -4.295 -0.893 1.00 0.00 C ATOM 1440 C GLU A 88 13.500 -3.041 -1.397 1.00 0.00 C ATOM 1441 O GLU A 88 14.243 -2.430 -0.629 1.00 0.00 O ATOM 1442 CB GLU A 88 13.573 -5.545 -1.226 1.00 0.00 C ATOM 1443 CG GLU A 88 14.951 -5.563 -0.586 1.00 0.00 C ATOM 1444 CD GLU A 88 14.999 -6.409 0.671 1.00 0.00 C ATOM 1445 OE1 GLU A 88 13.954 -6.531 1.345 1.00 0.00 O ATOM 1446 OE2 GLU A 88 16.081 -6.950 0.983 1.00 0.00 O ATOM 0 H GLU A 88 11.313 -4.679 -2.370 1.00 0.00 H new ATOM 0 HA GLU A 88 12.667 -4.171 0.186 1.00 0.00 H new ATOM 0 HB2 GLU A 88 13.019 -6.426 -0.901 1.00 0.00 H new ATOM 0 HB3 GLU A 88 13.683 -5.619 -2.308 1.00 0.00 H new ATOM 0 HG2 GLU A 88 15.676 -5.945 -1.304 1.00 0.00 H new ATOM 0 HG3 GLU A 88 15.249 -4.543 -0.344 1.00 0.00 H new ATOM 1453 N ARG A 89 13.343 -2.662 -2.668 1.00 0.00 N ATOM 1454 CA ARG A 89 14.062 -1.491 -3.182 1.00 0.00 C ATOM 1455 C ARG A 89 13.473 -0.971 -4.487 1.00 0.00 C ATOM 1456 O ARG A 89 12.697 -1.659 -5.145 1.00 0.00 O ATOM 1457 CB ARG A 89 15.546 -1.816 -3.374 1.00 0.00 C ATOM 1458 CG ARG A 89 15.803 -3.191 -3.968 1.00 0.00 C ATOM 1459 CD ARG A 89 17.232 -3.649 -3.720 1.00 0.00 C ATOM 1460 NE ARG A 89 17.509 -3.847 -2.298 1.00 0.00 N ATOM 1461 CZ ARG A 89 18.034 -2.916 -1.502 1.00 0.00 C ATOM 1462 NH1 ARG A 89 18.328 -1.710 -1.975 1.00 0.00 N ATOM 1463 NH2 ARG A 89 18.261 -3.190 -0.225 1.00 0.00 N ATOM 0 H ARG A 89 12.742 -3.133 -3.345 1.00 0.00 H new ATOM 0 HA ARG A 89 13.953 -0.702 -2.437 1.00 0.00 H new ATOM 0 HB2 ARG A 89 15.992 -1.062 -4.022 1.00 0.00 H new ATOM 0 HB3 ARG A 89 16.051 -1.747 -2.410 1.00 0.00 H new ATOM 0 HG2 ARG A 89 15.109 -3.911 -3.534 1.00 0.00 H new ATOM 0 HG3 ARG A 89 15.609 -3.167 -5.040 1.00 0.00 H new ATOM 0 HD2 ARG A 89 17.412 -4.581 -4.257 1.00 0.00 H new ATOM 0 HD3 ARG A 89 17.924 -2.910 -4.124 1.00 0.00 H new ATOM 0 HE ARG A 89 17.286 -4.755 -1.890 1.00 0.00 H new ATOM 0 HH11 ARG A 89 18.152 -1.490 -2.955 1.00 0.00 H new ATOM 0 HH12 ARG A 89 18.730 -1.004 -1.358 1.00 0.00 H new ATOM 0 HH21 ARG A 89 18.034 -4.112 0.147 1.00 0.00 H new ATOM 0 HH22 ARG A 89 18.663 -2.479 0.386 1.00 0.00 H new ATOM 1477 N TRP A 90 13.870 0.246 -4.862 1.00 0.00 N ATOM 1478 CA TRP A 90 13.398 0.854 -6.101 1.00 0.00 C ATOM 1479 C TRP A 90 14.480 1.715 -6.748 1.00 0.00 C ATOM 1480 O TRP A 90 15.132 2.518 -6.081 1.00 0.00 O ATOM 1481 CB TRP A 90 12.135 1.680 -5.852 1.00 0.00 C ATOM 1482 CG TRP A 90 12.367 2.996 -5.179 1.00 0.00 C ATOM 1483 CD1 TRP A 90 12.936 4.111 -5.725 1.00 0.00 C ATOM 1484 CD2 TRP A 90 12.008 3.340 -3.841 1.00 0.00 C ATOM 1485 NE1 TRP A 90 12.946 5.131 -4.806 1.00 0.00 N ATOM 1486 CE2 TRP A 90 12.380 4.682 -3.641 1.00 0.00 C ATOM 1487 CE3 TRP A 90 11.404 2.643 -2.793 1.00 0.00 C ATOM 1488 CZ2 TRP A 90 12.163 5.340 -2.436 1.00 0.00 C ATOM 1489 CZ3 TRP A 90 11.189 3.298 -1.596 1.00 0.00 C ATOM 1490 CH2 TRP A 90 11.565 4.635 -1.427 1.00 0.00 C ATOM 0 H TRP A 90 14.515 0.826 -4.326 1.00 0.00 H new ATOM 0 HA TRP A 90 13.155 0.047 -6.792 1.00 0.00 H new ATOM 0 HB2 TRP A 90 11.641 1.859 -6.807 1.00 0.00 H new ATOM 0 HB3 TRP A 90 11.448 1.093 -5.243 1.00 0.00 H new ATOM 0 HD1 TRP A 90 13.321 4.180 -6.732 1.00 0.00 H new ATOM 0 HE1 TRP A 90 13.314 6.069 -4.964 1.00 0.00 H new ATOM 0 HE3 TRP A 90 11.110 1.611 -2.916 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 12.456 6.371 -2.301 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 10.723 2.770 -0.777 1.00 0.00 H new ATOM 0 HH2 TRP A 90 11.379 5.121 -0.480 1.00 0.00 H new ATOM 1501 N GLU A 91 14.665 1.541 -8.058 1.00 0.00 N ATOM 1502 CA GLU A 91 15.666 2.302 -8.794 1.00 0.00 C ATOM 1503 C GLU A 91 15.139 3.688 -9.154 1.00 0.00 C ATOM 1504 O GLU A 91 14.121 3.817 -9.834 1.00 0.00 O ATOM 1505 CB GLU A 91 16.076 1.553 -10.064 1.00 0.00 C ATOM 1506 CG GLU A 91 17.144 2.269 -10.874 1.00 0.00 C ATOM 1507 CD GLU A 91 17.867 1.342 -11.832 1.00 0.00 C ATOM 1508 OE1 GLU A 91 17.201 0.469 -12.429 1.00 0.00 O ATOM 1509 OE2 GLU A 91 19.097 1.489 -11.987 1.00 0.00 O ATOM 0 H GLU A 91 14.134 0.881 -8.626 1.00 0.00 H new ATOM 0 HA GLU A 91 16.540 2.420 -8.153 1.00 0.00 H new ATOM 0 HB2 GLU A 91 16.442 0.563 -9.790 1.00 0.00 H new ATOM 0 HB3 GLU A 91 15.195 1.406 -10.689 1.00 0.00 H new ATOM 0 HG2 GLU A 91 16.684 3.081 -11.437 1.00 0.00 H new ATOM 0 HG3 GLU A 91 17.868 2.721 -10.196 1.00 0.00 H new ATOM 1516 N GLY A 92 15.837 4.720 -8.693 1.00 0.00 N ATOM 1517 CA GLY A 92 15.422 6.082 -8.976 1.00 0.00 C ATOM 1518 C GLY A 92 14.387 6.587 -7.992 1.00 0.00 C ATOM 1519 O GLY A 92 14.584 6.510 -6.779 1.00 0.00 O ATOM 0 H GLY A 92 16.683 4.638 -8.129 1.00 0.00 H new ATOM 0 HA2 GLY A 92 16.293 6.737 -8.951 1.00 0.00 H new ATOM 0 HA3 GLY A 92 15.014 6.132 -9.986 1.00 0.00 H new ATOM 1523 N GLU A 93 13.279 7.107 -8.512 1.00 0.00 N ATOM 1524 CA GLU A 93 12.209 7.626 -7.670 1.00 0.00 C ATOM 1525 C GLU A 93 10.884 6.931 -7.985 1.00 0.00 C ATOM 1526 O GLU A 93 10.566 6.696 -9.150 1.00 0.00 O ATOM 1527 CB GLU A 93 12.063 9.136 -7.867 1.00 0.00 C ATOM 1528 CG GLU A 93 11.409 9.842 -6.691 1.00 0.00 C ATOM 1529 CD GLU A 93 12.000 11.214 -6.432 1.00 0.00 C ATOM 1530 OE1 GLU A 93 13.243 11.322 -6.366 1.00 0.00 O ATOM 1531 OE2 GLU A 93 11.220 12.180 -6.295 1.00 0.00 O ATOM 0 H GLU A 93 13.100 7.180 -9.514 1.00 0.00 H new ATOM 0 HA GLU A 93 12.468 7.425 -6.631 1.00 0.00 H new ATOM 0 HB2 GLU A 93 13.049 9.569 -8.037 1.00 0.00 H new ATOM 0 HB3 GLU A 93 11.474 9.322 -8.765 1.00 0.00 H new ATOM 0 HG2 GLU A 93 10.340 9.941 -6.880 1.00 0.00 H new ATOM 0 HG3 GLU A 93 11.519 9.228 -5.797 1.00 0.00 H new ATOM 1538 N PRO A 94 10.084 6.603 -6.951 1.00 0.00 N ATOM 1539 CA PRO A 94 8.790 5.945 -7.126 1.00 0.00 C ATOM 1540 C PRO A 94 7.729 6.921 -7.612 1.00 0.00 C ATOM 1541 O PRO A 94 7.546 7.985 -7.019 1.00 0.00 O ATOM 1542 CB PRO A 94 8.435 5.439 -5.714 1.00 0.00 C ATOM 1543 CG PRO A 94 9.628 5.731 -4.863 1.00 0.00 C ATOM 1544 CD PRO A 94 10.355 6.857 -5.536 1.00 0.00 C ATOM 0 HA PRO A 94 8.834 5.151 -7.871 1.00 0.00 H new ATOM 0 HB2 PRO A 94 7.548 5.943 -5.330 1.00 0.00 H new ATOM 0 HB3 PRO A 94 8.215 4.371 -5.725 1.00 0.00 H new ATOM 0 HG2 PRO A 94 9.327 6.010 -3.853 1.00 0.00 H new ATOM 0 HG3 PRO A 94 10.267 4.853 -4.774 1.00 0.00 H new ATOM 0 HD2 PRO A 94 9.980 7.830 -5.219 1.00 0.00 H new ATOM 0 HD3 PRO A 94 11.423 6.840 -5.317 1.00 0.00 H new ATOM 1552 N TRP A 95 7.025 6.568 -8.681 1.00 0.00 N ATOM 1553 CA TRP A 95 5.989 7.446 -9.201 1.00 0.00 C ATOM 1554 C TRP A 95 4.697 6.697 -9.489 1.00 0.00 C ATOM 1555 O TRP A 95 3.654 6.996 -8.905 1.00 0.00 O ATOM 1556 CB TRP A 95 6.456 8.180 -10.463 1.00 0.00 C ATOM 1557 CG TRP A 95 7.031 7.310 -11.552 1.00 0.00 C ATOM 1558 CD1 TRP A 95 8.342 6.974 -11.718 1.00 0.00 C ATOM 1559 CD2 TRP A 95 6.324 6.696 -12.643 1.00 0.00 C ATOM 1560 NE1 TRP A 95 8.502 6.211 -12.852 1.00 0.00 N ATOM 1561 CE2 TRP A 95 7.278 6.028 -13.437 1.00 0.00 C ATOM 1562 CE3 TRP A 95 4.979 6.647 -13.029 1.00 0.00 C ATOM 1563 CZ2 TRP A 95 6.932 5.332 -14.593 1.00 0.00 C ATOM 1564 CZ3 TRP A 95 4.638 5.951 -14.174 1.00 0.00 C ATOM 1565 CH2 TRP A 95 5.611 5.307 -14.947 1.00 0.00 C ATOM 0 H TRP A 95 7.150 5.696 -9.195 1.00 0.00 H new ATOM 0 HA TRP A 95 5.789 8.181 -8.421 1.00 0.00 H new ATOM 0 HB2 TRP A 95 5.611 8.732 -10.873 1.00 0.00 H new ATOM 0 HB3 TRP A 95 7.208 8.915 -10.176 1.00 0.00 H new ATOM 0 HD1 TRP A 95 9.142 7.265 -11.053 1.00 0.00 H new ATOM 0 HE1 TRP A 95 9.387 5.842 -13.200 1.00 0.00 H new ATOM 0 HE3 TRP A 95 4.221 7.144 -12.442 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 7.680 4.830 -15.189 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 3.603 5.903 -14.477 1.00 0.00 H new ATOM 0 HH2 TRP A 95 5.313 4.780 -15.841 1.00 0.00 H new ATOM 1576 N GLY A 96 4.770 5.730 -10.392 1.00 0.00 N ATOM 1577 CA GLY A 96 3.593 4.955 -10.751 1.00 0.00 C ATOM 1578 C GLY A 96 2.340 5.801 -10.899 1.00 0.00 C ATOM 1579 O GLY A 96 2.169 6.504 -11.895 1.00 0.00 O ATOM 0 H GLY A 96 5.623 5.466 -10.885 1.00 0.00 H new ATOM 0 HA2 GLY A 96 3.783 4.432 -11.688 1.00 0.00 H new ATOM 0 HA3 GLY A 96 3.421 4.194 -9.990 1.00 0.00 H new ATOM 1583 N LYS A 97 1.461 5.728 -9.902 1.00 0.00 N ATOM 1584 CA LYS A 97 0.212 6.489 -9.915 1.00 0.00 C ATOM 1585 C LYS A 97 -0.661 6.132 -8.712 1.00 0.00 C ATOM 1586 O LYS A 97 -1.885 6.057 -8.824 1.00 0.00 O ATOM 1587 CB LYS A 97 -0.560 6.229 -11.213 1.00 0.00 C ATOM 1588 CG LYS A 97 -1.060 7.497 -11.885 1.00 0.00 C ATOM 1589 CD LYS A 97 -2.415 7.920 -11.340 1.00 0.00 C ATOM 1590 CE LYS A 97 -3.316 8.454 -12.442 1.00 0.00 C ATOM 1591 NZ LYS A 97 -4.400 9.321 -11.901 1.00 0.00 N ATOM 0 H LYS A 97 1.590 5.148 -9.073 1.00 0.00 H new ATOM 0 HA LYS A 97 0.465 7.548 -9.856 1.00 0.00 H new ATOM 0 HB2 LYS A 97 0.084 5.689 -11.907 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -1.410 5.582 -10.997 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -0.339 8.300 -11.732 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -1.134 7.335 -12.960 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -2.895 7.070 -10.856 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -2.278 8.686 -10.577 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -2.719 9.022 -13.156 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -3.757 7.619 -12.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -4.992 9.665 -12.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -4.985 8.773 -11.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -3.980 10.131 -11.402 1.00 0.00 H new ATOM 1605 N GLU A 98 -0.027 5.916 -7.562 1.00 0.00 N ATOM 1606 CA GLU A 98 -0.752 5.571 -6.342 1.00 0.00 C ATOM 1607 C GLU A 98 -1.769 6.652 -5.985 1.00 0.00 C ATOM 1608 O GLU A 98 -2.782 6.374 -5.343 1.00 0.00 O ATOM 1609 CB GLU A 98 0.222 5.363 -5.178 1.00 0.00 C ATOM 1610 CG GLU A 98 1.400 6.328 -5.173 1.00 0.00 C ATOM 1611 CD GLU A 98 0.972 7.777 -5.063 1.00 0.00 C ATOM 1612 OE1 GLU A 98 0.535 8.186 -3.967 1.00 0.00 O ATOM 1613 OE2 GLU A 98 1.072 8.503 -6.074 1.00 0.00 O ATOM 0 H GLU A 98 0.985 5.974 -7.449 1.00 0.00 H new ATOM 0 HA GLU A 98 -1.289 4.640 -6.524 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -0.323 5.467 -4.240 1.00 0.00 H new ATOM 0 HB3 GLU A 98 0.602 4.342 -5.215 1.00 0.00 H new ATOM 0 HG2 GLU A 98 2.060 6.085 -4.340 1.00 0.00 H new ATOM 0 HG3 GLU A 98 1.978 6.193 -6.087 1.00 0.00 H new ATOM 1620 N GLY A 99 -1.498 7.884 -6.409 1.00 0.00 N ATOM 1621 CA GLY A 99 -2.407 8.979 -6.124 1.00 0.00 C ATOM 1622 C GLY A 99 -1.698 10.217 -5.608 1.00 0.00 C ATOM 1623 O GLY A 99 -1.667 11.247 -6.281 1.00 0.00 O ATOM 0 H GLY A 99 -0.668 8.142 -6.943 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -2.957 9.233 -7.030 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -3.141 8.653 -5.387 1.00 0.00 H new ATOM 1627 N GLN A 100 -1.138 10.122 -4.406 1.00 0.00 N ATOM 1628 CA GLN A 100 -0.438 11.250 -3.797 1.00 0.00 C ATOM 1629 C GLN A 100 1.008 10.900 -3.469 1.00 0.00 C ATOM 1630 O GLN A 100 1.279 10.107 -2.569 1.00 0.00 O ATOM 1631 CB GLN A 100 -1.164 11.699 -2.528 1.00 0.00 C ATOM 1632 CG GLN A 100 -1.595 10.547 -1.634 1.00 0.00 C ATOM 1633 CD GLN A 100 -3.066 10.213 -1.783 1.00 0.00 C ATOM 1634 OE1 GLN A 100 -3.894 11.093 -2.016 1.00 0.00 O ATOM 1635 NE2 GLN A 100 -3.399 8.935 -1.648 1.00 0.00 N ATOM 0 H GLN A 100 -1.155 9.277 -3.834 1.00 0.00 H new ATOM 0 HA GLN A 100 -0.432 12.066 -4.520 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -0.511 12.363 -1.962 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -2.043 12.279 -2.808 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -1.000 9.665 -1.872 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -1.387 10.801 -0.595 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -2.680 8.238 -1.455 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -4.374 8.650 -1.737 1.00 0.00 H new ATOM 1644 N PRO A 101 1.960 11.504 -4.197 1.00 0.00 N ATOM 1645 CA PRO A 101 3.391 11.274 -3.986 1.00 0.00 C ATOM 1646 C PRO A 101 3.770 11.264 -2.506 1.00 0.00 C ATOM 1647 O PRO A 101 3.183 11.986 -1.701 1.00 0.00 O ATOM 1648 CB PRO A 101 4.014 12.476 -4.686 1.00 0.00 C ATOM 1649 CG PRO A 101 3.095 12.753 -5.819 1.00 0.00 C ATOM 1650 CD PRO A 101 1.717 12.473 -5.290 1.00 0.00 C ATOM 0 HA PRO A 101 3.721 10.306 -4.363 1.00 0.00 H new ATOM 0 HB2 PRO A 101 4.090 13.332 -4.016 1.00 0.00 H new ATOM 0 HB3 PRO A 101 5.022 12.255 -5.036 1.00 0.00 H new ATOM 0 HG2 PRO A 101 3.185 13.786 -6.155 1.00 0.00 H new ATOM 0 HG3 PRO A 101 3.324 12.119 -6.675 1.00 0.00 H new ATOM 0 HD2 PRO A 101 1.235 13.380 -4.924 1.00 0.00 H new ATOM 0 HD3 PRO A 101 1.068 12.056 -6.060 1.00 0.00 H new ATOM 1658 N GLY A 102 4.753 10.440 -2.155 1.00 0.00 N ATOM 1659 CA GLY A 102 5.188 10.353 -0.772 1.00 0.00 C ATOM 1660 C GLY A 102 6.694 10.470 -0.619 1.00 0.00 C ATOM 1661 O GLY A 102 7.420 10.564 -1.609 1.00 0.00 O ATOM 0 H GLY A 102 5.255 9.832 -2.802 1.00 0.00 H new ATOM 0 HA2 GLY A 102 4.707 11.142 -0.194 1.00 0.00 H new ATOM 0 HA3 GLY A 102 4.858 9.403 -0.351 1.00 0.00 H new ATOM 1665 N GLU A 103 7.161 10.461 0.626 1.00 0.00 N ATOM 1666 CA GLU A 103 8.590 10.565 0.916 1.00 0.00 C ATOM 1667 C GLU A 103 9.092 9.296 1.599 1.00 0.00 C ATOM 1668 O GLU A 103 8.313 8.556 2.199 1.00 0.00 O ATOM 1669 CB GLU A 103 8.866 11.781 1.801 1.00 0.00 C ATOM 1670 CG GLU A 103 9.236 13.031 1.020 1.00 0.00 C ATOM 1671 CD GLU A 103 10.587 12.916 0.342 1.00 0.00 C ATOM 1672 OE1 GLU A 103 11.577 12.607 1.039 1.00 0.00 O ATOM 1673 OE2 GLU A 103 10.656 13.134 -0.886 1.00 0.00 O ATOM 0 H GLU A 103 6.570 10.383 1.453 1.00 0.00 H new ATOM 0 HA GLU A 103 9.123 10.687 -0.027 1.00 0.00 H new ATOM 0 HB2 GLU A 103 7.983 11.988 2.405 1.00 0.00 H new ATOM 0 HB3 GLU A 103 9.675 11.541 2.491 1.00 0.00 H new ATOM 0 HG2 GLU A 103 8.471 13.225 0.268 1.00 0.00 H new ATOM 0 HG3 GLU A 103 9.244 13.887 1.694 1.00 0.00 H new ATOM 1680 N TRP A 104 10.395 9.043 1.504 1.00 0.00 N ATOM 1681 CA TRP A 104 10.981 7.853 2.119 1.00 0.00 C ATOM 1682 C TRP A 104 11.067 8.022 3.633 1.00 0.00 C ATOM 1683 O TRP A 104 11.906 8.765 4.139 1.00 0.00 O ATOM 1684 CB TRP A 104 12.382 7.570 1.543 1.00 0.00 C ATOM 1685 CG TRP A 104 12.580 8.073 0.143 1.00 0.00 C ATOM 1686 CD1 TRP A 104 11.636 8.161 -0.841 1.00 0.00 C ATOM 1687 CD2 TRP A 104 13.800 8.557 -0.428 1.00 0.00 C ATOM 1688 NE1 TRP A 104 12.196 8.671 -1.987 1.00 0.00 N ATOM 1689 CE2 TRP A 104 13.523 8.921 -1.759 1.00 0.00 C ATOM 1690 CE3 TRP A 104 15.102 8.719 0.057 1.00 0.00 C ATOM 1691 CZ2 TRP A 104 14.499 9.437 -2.609 1.00 0.00 C ATOM 1692 CZ3 TRP A 104 16.069 9.230 -0.787 1.00 0.00 C ATOM 1693 CH2 TRP A 104 15.763 9.585 -2.107 1.00 0.00 C ATOM 0 H TRP A 104 11.061 9.639 1.012 1.00 0.00 H new ATOM 0 HA TRP A 104 10.335 7.005 1.893 1.00 0.00 H new ATOM 0 HB2 TRP A 104 13.129 8.027 2.191 1.00 0.00 H new ATOM 0 HB3 TRP A 104 12.560 6.495 1.560 1.00 0.00 H new ATOM 0 HD1 TRP A 104 10.601 7.872 -0.733 1.00 0.00 H new ATOM 0 HE1 TRP A 104 11.704 8.837 -2.865 1.00 0.00 H new ATOM 0 HE3 TRP A 104 15.347 8.449 1.074 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 14.266 9.710 -3.628 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 17.078 9.358 -0.423 1.00 0.00 H new ATOM 0 HH2 TRP A 104 16.541 9.984 -2.741 1.00 0.00 H new ATOM 1704 N MET A 105 10.194 7.319 4.350 1.00 0.00 N ATOM 1705 CA MET A 105 10.169 7.382 5.809 1.00 0.00 C ATOM 1706 C MET A 105 10.413 6.004 6.417 1.00 0.00 C ATOM 1707 O MET A 105 10.242 4.986 5.752 1.00 0.00 O ATOM 1708 CB MET A 105 8.835 7.946 6.306 1.00 0.00 C ATOM 1709 CG MET A 105 7.634 7.503 5.486 1.00 0.00 C ATOM 1710 SD MET A 105 6.150 8.459 5.859 1.00 0.00 S ATOM 1711 CE MET A 105 5.598 7.653 7.360 1.00 0.00 C ATOM 0 H MET A 105 9.494 6.698 3.944 1.00 0.00 H new ATOM 0 HA MET A 105 10.970 8.049 6.127 1.00 0.00 H new ATOM 0 HB2 MET A 105 8.687 7.642 7.342 1.00 0.00 H new ATOM 0 HB3 MET A 105 8.887 9.035 6.297 1.00 0.00 H new ATOM 0 HG2 MET A 105 7.867 7.599 4.426 1.00 0.00 H new ATOM 0 HG3 MET A 105 7.439 6.447 5.675 1.00 0.00 H new ATOM 0 HE1 MET A 105 4.568 7.941 7.570 1.00 0.00 H new ATOM 0 HE2 MET A 105 5.654 6.572 7.234 1.00 0.00 H new ATOM 0 HE3 MET A 105 6.236 7.955 8.191 1.00 0.00 H new ATOM 1721 N SER A 106 10.805 5.978 7.685 1.00 0.00 N ATOM 1722 CA SER A 106 11.064 4.721 8.377 1.00 0.00 C ATOM 1723 C SER A 106 9.760 3.994 8.693 1.00 0.00 C ATOM 1724 O SER A 106 8.940 4.482 9.470 1.00 0.00 O ATOM 1725 CB SER A 106 11.847 4.973 9.667 1.00 0.00 C ATOM 1726 OG SER A 106 11.230 5.981 10.449 1.00 0.00 O ATOM 0 H SER A 106 10.950 6.812 8.255 1.00 0.00 H new ATOM 0 HA SER A 106 11.660 4.090 7.717 1.00 0.00 H new ATOM 0 HB2 SER A 106 11.912 4.050 10.243 1.00 0.00 H new ATOM 0 HB3 SER A 106 12.867 5.270 9.425 1.00 0.00 H new ATOM 0 HG SER A 106 10.256 5.898 10.381 1.00 0.00 H new ATOM 1732 N LEU A 107 9.576 2.826 8.084 1.00 0.00 N ATOM 1733 CA LEU A 107 8.370 2.035 8.303 1.00 0.00 C ATOM 1734 C LEU A 107 8.296 1.527 9.741 1.00 0.00 C ATOM 1735 O LEU A 107 7.226 1.154 10.222 1.00 0.00 O ATOM 1736 CB LEU A 107 8.320 0.855 7.329 1.00 0.00 C ATOM 1737 CG LEU A 107 6.913 0.363 6.974 1.00 0.00 C ATOM 1738 CD1 LEU A 107 6.283 -0.353 8.159 1.00 0.00 C ATOM 1739 CD2 LEU A 107 6.037 1.525 6.525 1.00 0.00 C ATOM 0 H LEU A 107 10.245 2.408 7.437 1.00 0.00 H new ATOM 0 HA LEU A 107 7.511 2.682 8.124 1.00 0.00 H new ATOM 0 HB2 LEU A 107 8.830 1.141 6.409 1.00 0.00 H new ATOM 0 HB3 LEU A 107 8.880 0.025 7.759 1.00 0.00 H new ATOM 0 HG LEU A 107 6.995 -0.344 6.149 1.00 0.00 H new ATOM 0 HD11 LEU A 107 5.284 -0.695 7.888 1.00 0.00 H new ATOM 0 HD12 LEU A 107 6.898 -1.210 8.435 1.00 0.00 H new ATOM 0 HD13 LEU A 107 6.215 0.332 9.004 1.00 0.00 H new ATOM 0 HD21 LEU A 107 5.042 1.156 6.277 1.00 0.00 H new ATOM 0 HD22 LEU A 107 5.963 2.257 7.329 1.00 0.00 H new ATOM 0 HD23 LEU A 107 6.479 1.995 5.646 1.00 0.00 H new ATOM 1751 N VAL A 108 9.436 1.520 10.427 1.00 0.00 N ATOM 1752 CA VAL A 108 9.492 1.064 11.812 1.00 0.00 C ATOM 1753 C VAL A 108 8.610 1.922 12.719 1.00 0.00 C ATOM 1754 O VAL A 108 8.348 1.558 13.865 1.00 0.00 O ATOM 1755 CB VAL A 108 10.935 1.086 12.351 1.00 0.00 C ATOM 1756 CG1 VAL A 108 11.006 0.421 13.717 1.00 0.00 C ATOM 1757 CG2 VAL A 108 11.881 0.410 11.370 1.00 0.00 C ATOM 0 H VAL A 108 10.332 1.825 10.047 1.00 0.00 H new ATOM 0 HA VAL A 108 9.121 0.039 11.819 1.00 0.00 H new ATOM 0 HB VAL A 108 11.246 2.125 12.463 1.00 0.00 H new ATOM 0 HG11 VAL A 108 12.033 0.446 14.081 1.00 0.00 H new ATOM 0 HG12 VAL A 108 10.360 0.954 14.415 1.00 0.00 H new ATOM 0 HG13 VAL A 108 10.676 -0.614 13.635 1.00 0.00 H new ATOM 0 HG21 VAL A 108 12.896 0.435 11.767 1.00 0.00 H new ATOM 0 HG22 VAL A 108 11.574 -0.626 11.223 1.00 0.00 H new ATOM 0 HG23 VAL A 108 11.852 0.936 10.416 1.00 0.00 H new ATOM 1767 N GLY A 109 8.152 3.060 12.201 1.00 0.00 N ATOM 1768 CA GLY A 109 7.306 3.944 12.976 1.00 0.00 C ATOM 1769 C GLY A 109 6.024 4.283 12.245 1.00 0.00 C ATOM 1770 O GLY A 109 5.635 5.448 12.160 1.00 0.00 O ATOM 0 H GLY A 109 8.354 3.384 11.255 1.00 0.00 H new ATOM 0 HA2 GLY A 109 7.067 3.474 13.930 1.00 0.00 H new ATOM 0 HA3 GLY A 109 7.849 4.862 13.201 1.00 0.00 H new ATOM 1774 N LEU A 110 5.372 3.257 11.712 1.00 0.00 N ATOM 1775 CA LEU A 110 4.125 3.435 10.977 1.00 0.00 C ATOM 1776 C LEU A 110 3.051 4.019 11.889 1.00 0.00 C ATOM 1777 O LEU A 110 3.072 3.801 13.100 1.00 0.00 O ATOM 1778 CB LEU A 110 3.662 2.093 10.405 1.00 0.00 C ATOM 1779 CG LEU A 110 2.774 2.176 9.163 1.00 0.00 C ATOM 1780 CD1 LEU A 110 3.365 3.132 8.137 1.00 0.00 C ATOM 1781 CD2 LEU A 110 2.588 0.793 8.558 1.00 0.00 C ATOM 0 H LEU A 110 5.687 2.289 11.775 1.00 0.00 H new ATOM 0 HA LEU A 110 4.296 4.130 10.155 1.00 0.00 H new ATOM 0 HB2 LEU A 110 4.543 1.499 10.161 1.00 0.00 H new ATOM 0 HB3 LEU A 110 3.120 1.555 11.182 1.00 0.00 H new ATOM 0 HG LEU A 110 1.799 2.562 9.462 1.00 0.00 H new ATOM 0 HD11 LEU A 110 2.716 3.174 7.263 1.00 0.00 H new ATOM 0 HD12 LEU A 110 3.451 4.127 8.574 1.00 0.00 H new ATOM 0 HD13 LEU A 110 4.353 2.780 7.839 1.00 0.00 H new ATOM 0 HD21 LEU A 110 1.954 0.865 7.674 1.00 0.00 H new ATOM 0 HD22 LEU A 110 3.559 0.386 8.276 1.00 0.00 H new ATOM 0 HD23 LEU A 110 2.118 0.136 9.290 1.00 0.00 H new ATOM 1793 N ASN A 111 2.127 4.783 11.311 1.00 0.00 N ATOM 1794 CA ASN A 111 1.073 5.413 12.099 1.00 0.00 C ATOM 1795 C ASN A 111 -0.323 5.028 11.632 1.00 0.00 C ATOM 1796 O ASN A 111 -0.721 5.324 10.507 1.00 0.00 O ATOM 1797 CB ASN A 111 1.233 6.934 12.069 1.00 0.00 C ATOM 1798 CG ASN A 111 1.450 7.521 13.450 1.00 0.00 C ATOM 1799 OD1 ASN A 111 0.694 8.385 13.896 1.00 0.00 O ATOM 1800 ND2 ASN A 111 2.486 7.054 14.137 1.00 0.00 N ATOM 0 H ASN A 111 2.087 4.979 10.311 1.00 0.00 H new ATOM 0 HA ASN A 111 1.180 5.048 13.121 1.00 0.00 H new ATOM 0 HB2 ASN A 111 2.076 7.195 11.430 1.00 0.00 H new ATOM 0 HB3 ASN A 111 0.345 7.381 11.623 1.00 0.00 H new ATOM 0 HD21 ASN A 111 2.681 7.411 15.072 1.00 0.00 H new ATOM 0 HD22 ASN A 111 3.087 6.338 13.729 1.00 0.00 H new ATOM 1807 N ALA A 112 -1.072 4.392 12.531 1.00 0.00 N ATOM 1808 CA ALA A 112 -2.441 3.996 12.237 1.00 0.00 C ATOM 1809 C ALA A 112 -3.350 5.226 12.208 1.00 0.00 C ATOM 1810 O ALA A 112 -4.442 5.196 11.642 1.00 0.00 O ATOM 1811 CB ALA A 112 -2.939 2.989 13.265 1.00 0.00 C ATOM 0 H ALA A 112 -0.751 4.142 13.466 1.00 0.00 H new ATOM 0 HA ALA A 112 -2.463 3.522 11.256 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -3.964 2.705 13.029 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -2.303 2.104 13.245 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -2.906 3.437 14.258 1.00 0.00 H new ATOM 1817 N ASP A 113 -2.885 6.313 12.825 1.00 0.00 N ATOM 1818 CA ASP A 113 -3.641 7.558 12.869 1.00 0.00 C ATOM 1819 C ASP A 113 -3.514 8.322 11.553 1.00 0.00 C ATOM 1820 O ASP A 113 -4.506 8.793 10.997 1.00 0.00 O ATOM 1821 CB ASP A 113 -3.159 8.432 14.027 1.00 0.00 C ATOM 1822 CG ASP A 113 -4.294 9.179 14.700 1.00 0.00 C ATOM 1823 OD1 ASP A 113 -5.246 9.572 13.993 1.00 0.00 O ATOM 1824 OD2 ASP A 113 -4.231 9.371 15.932 1.00 0.00 O ATOM 0 H ASP A 113 -1.984 6.353 13.302 1.00 0.00 H new ATOM 0 HA ASP A 113 -4.691 7.309 13.023 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -2.652 7.808 14.763 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -2.425 9.148 13.657 1.00 0.00 H new ATOM 1829 N ASP A 114 -2.281 8.447 11.064 1.00 0.00 N ATOM 1830 CA ASP A 114 -2.016 9.163 9.818 1.00 0.00 C ATOM 1831 C ASP A 114 -2.615 8.432 8.618 1.00 0.00 C ATOM 1832 O ASP A 114 -2.831 9.027 7.564 1.00 0.00 O ATOM 1833 CB ASP A 114 -0.514 9.352 9.620 1.00 0.00 C ATOM 1834 CG ASP A 114 -0.110 10.813 9.604 1.00 0.00 C ATOM 1835 OD1 ASP A 114 -0.417 11.503 8.610 1.00 0.00 O ATOM 1836 OD2 ASP A 114 0.512 11.268 10.587 1.00 0.00 O ATOM 0 H ASP A 114 -1.450 8.061 11.512 1.00 0.00 H new ATOM 0 HA ASP A 114 -2.491 10.141 9.891 1.00 0.00 H new ATOM 0 HB2 ASP A 114 0.022 8.839 10.419 1.00 0.00 H new ATOM 0 HB3 ASP A 114 -0.213 8.885 8.682 1.00 0.00 H new ATOM 1841 N PHE A 115 -2.887 7.143 8.784 1.00 0.00 N ATOM 1842 CA PHE A 115 -3.472 6.343 7.715 1.00 0.00 C ATOM 1843 C PHE A 115 -4.944 6.057 8.031 1.00 0.00 C ATOM 1844 O PHE A 115 -5.414 6.374 9.124 1.00 0.00 O ATOM 1845 CB PHE A 115 -2.656 5.050 7.522 1.00 0.00 C ATOM 1846 CG PHE A 115 -3.324 3.800 8.009 1.00 0.00 C ATOM 1847 CD1 PHE A 115 -3.726 3.699 9.320 1.00 0.00 C ATOM 1848 CD2 PHE A 115 -3.533 2.726 7.158 1.00 0.00 C ATOM 1849 CE1 PHE A 115 -4.326 2.553 9.790 1.00 0.00 C ATOM 1850 CE2 PHE A 115 -4.136 1.575 7.620 1.00 0.00 C ATOM 1851 CZ PHE A 115 -4.532 1.491 8.940 1.00 0.00 C ATOM 0 H PHE A 115 -2.712 6.630 9.648 1.00 0.00 H new ATOM 0 HA PHE A 115 -3.438 6.894 6.775 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -2.432 4.935 6.462 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -1.703 5.159 8.039 1.00 0.00 H new ATOM 0 HD1 PHE A 115 -3.569 4.531 9.991 1.00 0.00 H new ATOM 0 HD2 PHE A 115 -3.221 2.791 6.126 1.00 0.00 H new ATOM 0 HE1 PHE A 115 -4.634 2.488 10.823 1.00 0.00 H new ATOM 0 HE2 PHE A 115 -4.298 0.742 6.952 1.00 0.00 H new ATOM 0 HZ PHE A 115 -5.004 0.591 9.306 1.00 0.00 H new ATOM 1861 N PRO A 116 -5.701 5.470 7.087 1.00 0.00 N ATOM 1862 CA PRO A 116 -7.122 5.175 7.302 1.00 0.00 C ATOM 1863 C PRO A 116 -7.358 4.343 8.563 1.00 0.00 C ATOM 1864 O PRO A 116 -6.735 3.298 8.751 1.00 0.00 O ATOM 1865 CB PRO A 116 -7.531 4.386 6.048 1.00 0.00 C ATOM 1866 CG PRO A 116 -6.251 4.001 5.382 1.00 0.00 C ATOM 1867 CD PRO A 116 -5.256 5.064 5.747 1.00 0.00 C ATOM 0 HA PRO A 116 -7.704 6.085 7.448 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -8.116 3.505 6.312 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -8.150 4.993 5.387 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -5.915 3.021 5.720 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -6.377 3.940 4.301 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -4.236 4.679 5.757 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -5.275 5.896 5.044 1.00 0.00 H new ATOM 1875 N PRO A 117 -8.263 4.800 9.452 1.00 0.00 N ATOM 1876 CA PRO A 117 -8.572 4.096 10.704 1.00 0.00 C ATOM 1877 C PRO A 117 -9.309 2.781 10.472 1.00 0.00 C ATOM 1878 O PRO A 117 -9.056 1.789 11.153 1.00 0.00 O ATOM 1879 CB PRO A 117 -9.468 5.082 11.457 1.00 0.00 C ATOM 1880 CG PRO A 117 -10.085 5.923 10.395 1.00 0.00 C ATOM 1881 CD PRO A 117 -9.049 6.042 9.312 1.00 0.00 C ATOM 0 HA PRO A 117 -7.666 3.820 11.244 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -10.227 4.561 12.040 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -8.890 5.688 12.155 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -10.998 5.464 10.014 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -10.359 6.904 10.783 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -9.506 6.119 8.325 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -8.428 6.928 9.446 1.00 0.00 H new ATOM 1889 N ALA A 118 -10.222 2.779 9.507 1.00 0.00 N ATOM 1890 CA ALA A 118 -10.993 1.581 9.189 1.00 0.00 C ATOM 1891 C ALA A 118 -10.117 0.502 8.561 1.00 0.00 C ATOM 1892 O ALA A 118 -10.547 -0.637 8.383 1.00 0.00 O ATOM 1893 CB ALA A 118 -12.153 1.928 8.269 1.00 0.00 C ATOM 0 H ALA A 118 -10.447 3.591 8.932 1.00 0.00 H new ATOM 0 HA ALA A 118 -11.390 1.182 10.122 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -12.719 1.025 8.040 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -12.805 2.650 8.762 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -11.768 2.359 7.345 1.00 0.00 H new ATOM 1899 N ASN A 119 -8.892 0.873 8.223 1.00 0.00 N ATOM 1900 CA ASN A 119 -7.947 -0.044 7.610 1.00 0.00 C ATOM 1901 C ASN A 119 -6.886 -0.492 8.618 1.00 0.00 C ATOM 1902 O ASN A 119 -5.815 -0.965 8.237 1.00 0.00 O ATOM 1903 CB ASN A 119 -7.293 0.667 6.428 1.00 0.00 C ATOM 1904 CG ASN A 119 -7.996 0.373 5.116 1.00 0.00 C ATOM 1905 OD1 ASN A 119 -8.849 -0.511 5.039 1.00 0.00 O ATOM 1906 ND2 ASN A 119 -7.650 1.125 4.076 1.00 0.00 N ATOM 0 H ASN A 119 -8.527 1.815 8.366 1.00 0.00 H new ATOM 0 HA ASN A 119 -8.470 -0.938 7.270 1.00 0.00 H new ATOM 0 HB2 ASN A 119 -7.297 1.742 6.607 1.00 0.00 H new ATOM 0 HB3 ASN A 119 -6.250 0.360 6.355 1.00 0.00 H new ATOM 0 HD21 ASN A 119 -8.097 0.980 3.171 1.00 0.00 H new ATOM 0 HD22 ASN A 119 -6.938 1.847 4.183 1.00 0.00 H new ATOM 1913 N GLU A 120 -7.190 -0.318 9.908 1.00 0.00 N ATOM 1914 CA GLU A 120 -6.269 -0.670 10.991 1.00 0.00 C ATOM 1915 C GLU A 120 -6.005 -2.176 11.120 1.00 0.00 C ATOM 1916 O GLU A 120 -4.920 -2.567 11.535 1.00 0.00 O ATOM 1917 CB GLU A 120 -6.794 -0.125 12.322 1.00 0.00 C ATOM 1918 CG GLU A 120 -5.894 0.932 12.943 1.00 0.00 C ATOM 1919 CD GLU A 120 -6.407 1.421 14.282 1.00 0.00 C ATOM 1920 OE1 GLU A 120 -7.625 1.675 14.395 1.00 0.00 O ATOM 1921 OE2 GLU A 120 -5.592 1.549 15.219 1.00 0.00 O ATOM 0 H GLU A 120 -8.077 0.069 10.229 1.00 0.00 H new ATOM 0 HA GLU A 120 -5.314 -0.210 10.736 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -7.785 0.300 12.166 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -6.908 -0.951 13.024 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -4.892 0.522 13.070 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -5.808 1.777 12.260 1.00 0.00 H new ATOM 1928 N PRO A 121 -6.974 -3.051 10.799 1.00 0.00 N ATOM 1929 CA PRO A 121 -6.783 -4.501 10.931 1.00 0.00 C ATOM 1930 C PRO A 121 -5.431 -4.989 10.405 1.00 0.00 C ATOM 1931 O PRO A 121 -4.829 -5.896 10.979 1.00 0.00 O ATOM 1932 CB PRO A 121 -7.929 -5.070 10.098 1.00 0.00 C ATOM 1933 CG PRO A 121 -9.016 -4.062 10.240 1.00 0.00 C ATOM 1934 CD PRO A 121 -8.332 -2.720 10.318 1.00 0.00 C ATOM 0 HA PRO A 121 -6.786 -4.816 11.974 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -7.638 -5.199 9.055 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -8.241 -6.048 10.465 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -9.699 -4.103 9.392 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -9.608 -4.251 11.135 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -8.304 -2.227 9.346 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -8.847 -2.046 11.003 1.00 0.00 H new ATOM 1942 N VAL A 122 -4.952 -4.385 9.323 1.00 0.00 N ATOM 1943 CA VAL A 122 -3.667 -4.766 8.745 1.00 0.00 C ATOM 1944 C VAL A 122 -2.512 -4.180 9.546 1.00 0.00 C ATOM 1945 O VAL A 122 -1.583 -4.891 9.930 1.00 0.00 O ATOM 1946 CB VAL A 122 -3.536 -4.304 7.278 1.00 0.00 C ATOM 1947 CG1 VAL A 122 -2.148 -4.620 6.739 1.00 0.00 C ATOM 1948 CG2 VAL A 122 -4.602 -4.950 6.413 1.00 0.00 C ATOM 0 H VAL A 122 -5.432 -3.632 8.829 1.00 0.00 H new ATOM 0 HA VAL A 122 -3.624 -5.855 8.778 1.00 0.00 H new ATOM 0 HB VAL A 122 -3.680 -3.224 7.248 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -2.075 -4.287 5.704 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -1.398 -4.105 7.340 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -1.975 -5.695 6.787 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -4.490 -4.610 5.383 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -4.494 -6.034 6.451 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -5.589 -4.671 6.782 1.00 0.00 H new ATOM 1958 N ILE A 123 -2.571 -2.874 9.782 1.00 0.00 N ATOM 1959 CA ILE A 123 -1.523 -2.190 10.521 1.00 0.00 C ATOM 1960 C ILE A 123 -1.511 -2.605 11.983 1.00 0.00 C ATOM 1961 O ILE A 123 -0.467 -2.614 12.618 1.00 0.00 O ATOM 1962 CB ILE A 123 -1.664 -0.659 10.433 1.00 0.00 C ATOM 1963 CG1 ILE A 123 -1.785 -0.222 8.974 1.00 0.00 C ATOM 1964 CG2 ILE A 123 -0.469 0.015 11.090 1.00 0.00 C ATOM 1965 CD1 ILE A 123 -0.460 -0.185 8.251 1.00 0.00 C ATOM 0 H ILE A 123 -3.333 -2.271 9.472 1.00 0.00 H new ATOM 0 HA ILE A 123 -0.581 -2.483 10.057 1.00 0.00 H new ATOM 0 HB ILE A 123 -2.569 -0.358 10.961 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -2.457 -0.903 8.452 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -2.241 0.767 8.935 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -0.579 1.097 11.022 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -0.416 -0.279 12.138 1.00 0.00 H new ATOM 0 HG23 ILE A 123 0.446 -0.289 10.581 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -0.617 0.133 7.220 1.00 0.00 H new ATOM 0 HD12 ILE A 123 0.207 0.518 8.750 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -0.013 -1.179 8.260 1.00 0.00 H new ATOM 1977 N ALA A 124 -2.669 -2.961 12.517 1.00 0.00 N ATOM 1978 CA ALA A 124 -2.753 -3.383 13.908 1.00 0.00 C ATOM 1979 C ALA A 124 -1.779 -4.526 14.172 1.00 0.00 C ATOM 1980 O ALA A 124 -1.311 -4.713 15.295 1.00 0.00 O ATOM 1981 CB ALA A 124 -4.174 -3.801 14.253 1.00 0.00 C ATOM 0 H ALA A 124 -3.557 -2.967 12.014 1.00 0.00 H new ATOM 0 HA ALA A 124 -2.480 -2.541 14.544 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -4.218 -4.113 15.296 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -4.849 -2.959 14.097 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -4.475 -4.630 13.613 1.00 0.00 H new ATOM 1987 N LYS A 125 -1.477 -5.286 13.122 1.00 0.00 N ATOM 1988 CA LYS A 125 -0.554 -6.412 13.233 1.00 0.00 C ATOM 1989 C LYS A 125 0.907 -5.951 13.208 1.00 0.00 C ATOM 1990 O LYS A 125 1.698 -6.322 14.076 1.00 0.00 O ATOM 1991 CB LYS A 125 -0.802 -7.412 12.103 1.00 0.00 C ATOM 1992 CG LYS A 125 -1.807 -8.495 12.459 1.00 0.00 C ATOM 1993 CD LYS A 125 -3.132 -7.902 12.908 1.00 0.00 C ATOM 1994 CE LYS A 125 -4.234 -8.948 12.924 1.00 0.00 C ATOM 1995 NZ LYS A 125 -4.081 -9.898 14.061 1.00 0.00 N ATOM 0 H LYS A 125 -1.857 -5.143 12.186 1.00 0.00 H new ATOM 0 HA LYS A 125 -0.738 -6.895 14.193 1.00 0.00 H new ATOM 0 HB2 LYS A 125 -1.157 -6.874 11.224 1.00 0.00 H new ATOM 0 HB3 LYS A 125 0.143 -7.881 11.830 1.00 0.00 H new ATOM 0 HG2 LYS A 125 -1.970 -9.139 11.595 1.00 0.00 H new ATOM 0 HG3 LYS A 125 -1.401 -9.123 13.252 1.00 0.00 H new ATOM 0 HD2 LYS A 125 -3.021 -7.474 13.904 1.00 0.00 H new ATOM 0 HD3 LYS A 125 -3.412 -7.087 12.240 1.00 0.00 H new ATOM 0 HE2 LYS A 125 -5.203 -8.454 12.992 1.00 0.00 H new ATOM 0 HE3 LYS A 125 -4.223 -9.501 11.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 -4.852 -10.596 14.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 -3.167 -10.389 13.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 -4.117 -9.374 14.959 1.00 0.00 H new ATOM 2009 N LEU A 126 1.262 -5.157 12.200 1.00 0.00 N ATOM 2010 CA LEU A 126 2.632 -4.660 12.051 1.00 0.00 C ATOM 2011 C LEU A 126 2.916 -3.501 13.001 1.00 0.00 C ATOM 2012 O LEU A 126 4.035 -3.346 13.488 1.00 0.00 O ATOM 2013 CB LEU A 126 2.874 -4.216 10.606 1.00 0.00 C ATOM 2014 CG LEU A 126 4.316 -3.813 10.276 1.00 0.00 C ATOM 2015 CD1 LEU A 126 4.637 -2.441 10.849 1.00 0.00 C ATOM 2016 CD2 LEU A 126 5.295 -4.855 10.796 1.00 0.00 C ATOM 0 H LEU A 126 0.620 -4.842 11.472 1.00 0.00 H new ATOM 0 HA LEU A 126 3.310 -5.475 12.303 1.00 0.00 H new ATOM 0 HB2 LEU A 126 2.580 -5.027 9.940 1.00 0.00 H new ATOM 0 HB3 LEU A 126 2.220 -3.372 10.388 1.00 0.00 H new ATOM 0 HG LEU A 126 4.416 -3.760 9.192 1.00 0.00 H new ATOM 0 HD11 LEU A 126 5.665 -2.175 10.603 1.00 0.00 H new ATOM 0 HD12 LEU A 126 3.959 -1.701 10.423 1.00 0.00 H new ATOM 0 HD13 LEU A 126 4.517 -2.462 11.932 1.00 0.00 H new ATOM 0 HD21 LEU A 126 6.313 -4.551 10.552 1.00 0.00 H new ATOM 0 HD22 LEU A 126 5.192 -4.943 11.877 1.00 0.00 H new ATOM 0 HD23 LEU A 126 5.082 -5.818 10.331 1.00 0.00 H new ATOM 2028 N LYS A 127 1.900 -2.688 13.252 1.00 0.00 N ATOM 2029 CA LYS A 127 2.030 -1.533 14.136 1.00 0.00 C ATOM 2030 C LYS A 127 2.603 -1.940 15.483 1.00 0.00 C ATOM 2031 O LYS A 127 3.478 -1.269 16.029 1.00 0.00 O ATOM 2032 CB LYS A 127 0.672 -0.886 14.340 1.00 0.00 C ATOM 2033 CG LYS A 127 0.723 0.405 15.137 1.00 0.00 C ATOM 2034 CD LYS A 127 -0.512 1.257 14.900 1.00 0.00 C ATOM 2035 CE LYS A 127 -0.949 1.970 16.169 1.00 0.00 C ATOM 2036 NZ LYS A 127 -1.083 1.030 17.317 1.00 0.00 N ATOM 0 H LYS A 127 0.969 -2.806 12.854 1.00 0.00 H new ATOM 0 HA LYS A 127 2.712 -0.822 13.669 1.00 0.00 H new ATOM 0 HB2 LYS A 127 0.226 -0.684 13.366 1.00 0.00 H new ATOM 0 HB3 LYS A 127 0.016 -1.592 14.850 1.00 0.00 H new ATOM 0 HG2 LYS A 127 0.809 0.175 16.199 1.00 0.00 H new ATOM 0 HG3 LYS A 127 1.614 0.969 14.860 1.00 0.00 H new ATOM 0 HD2 LYS A 127 -0.305 1.992 14.122 1.00 0.00 H new ATOM 0 HD3 LYS A 127 -1.325 0.628 14.536 1.00 0.00 H new ATOM 0 HE2 LYS A 127 -0.224 2.745 16.418 1.00 0.00 H new ATOM 0 HE3 LYS A 127 -1.902 2.469 15.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 -1.839 1.360 17.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 -1.318 0.081 16.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 -0.185 0.992 17.841 1.00 0.00 H new ATOM 2050 N ARG A 128 2.114 -3.059 16.004 1.00 0.00 N ATOM 2051 CA ARG A 128 2.592 -3.573 17.276 1.00 0.00 C ATOM 2052 C ARG A 128 4.024 -4.075 17.129 1.00 0.00 C ATOM 2053 O ARG A 128 4.680 -4.416 18.113 1.00 0.00 O ATOM 2054 CB ARG A 128 1.685 -4.702 17.768 1.00 0.00 C ATOM 2055 CG ARG A 128 2.086 -5.259 19.123 1.00 0.00 C ATOM 2056 CD ARG A 128 0.967 -6.081 19.742 1.00 0.00 C ATOM 2057 NE ARG A 128 1.384 -6.730 20.982 1.00 0.00 N ATOM 2058 CZ ARG A 128 1.475 -6.104 22.153 1.00 0.00 C ATOM 2059 NH1 ARG A 128 1.181 -4.813 22.247 1.00 0.00 N ATOM 2060 NH2 ARG A 128 1.860 -6.770 23.233 1.00 0.00 N ATOM 0 H ARG A 128 1.388 -3.625 15.564 1.00 0.00 H new ATOM 0 HA ARG A 128 2.573 -2.767 18.010 1.00 0.00 H new ATOM 0 HB2 ARG A 128 0.660 -4.335 17.825 1.00 0.00 H new ATOM 0 HB3 ARG A 128 1.694 -5.509 17.036 1.00 0.00 H new ATOM 0 HG2 ARG A 128 2.976 -5.879 19.014 1.00 0.00 H new ATOM 0 HG3 ARG A 128 2.349 -4.439 19.791 1.00 0.00 H new ATOM 0 HD2 ARG A 128 0.111 -5.436 19.941 1.00 0.00 H new ATOM 0 HD3 ARG A 128 0.637 -6.838 19.030 1.00 0.00 H new ATOM 0 HE ARG A 128 1.619 -7.722 20.949 1.00 0.00 H new ATOM 0 HH11 ARG A 128 0.884 -4.296 21.419 1.00 0.00 H new ATOM 0 HH12 ARG A 128 1.252 -4.338 23.147 1.00 0.00 H new ATOM 0 HH21 ARG A 128 2.087 -7.762 23.166 1.00 0.00 H new ATOM 0 HH22 ARG A 128 1.930 -6.290 24.130 1.00 0.00 H new ATOM 2074 N LEU A 129 4.506 -4.109 15.884 1.00 0.00 N ATOM 2075 CA LEU A 129 5.864 -4.559 15.595 1.00 0.00 C ATOM 2076 C LEU A 129 6.185 -5.858 16.329 1.00 0.00 C ATOM 2077 O LEU A 129 6.034 -6.950 15.779 1.00 0.00 O ATOM 2078 CB LEU A 129 6.870 -3.476 15.982 1.00 0.00 C ATOM 2079 CG LEU A 129 6.445 -2.044 15.642 1.00 0.00 C ATOM 2080 CD1 LEU A 129 6.070 -1.284 16.906 1.00 0.00 C ATOM 2081 CD2 LEU A 129 7.553 -1.317 14.892 1.00 0.00 C ATOM 0 H LEU A 129 3.973 -3.829 15.061 1.00 0.00 H new ATOM 0 HA LEU A 129 5.935 -4.750 14.524 1.00 0.00 H new ATOM 0 HB2 LEU A 129 7.054 -3.539 17.055 1.00 0.00 H new ATOM 0 HB3 LEU A 129 7.816 -3.686 15.483 1.00 0.00 H new ATOM 0 HG LEU A 129 5.569 -2.093 14.995 1.00 0.00 H new ATOM 0 HD11 LEU A 129 5.771 -0.269 16.645 1.00 0.00 H new ATOM 0 HD12 LEU A 129 5.242 -1.790 17.403 1.00 0.00 H new ATOM 0 HD13 LEU A 129 6.928 -1.248 17.577 1.00 0.00 H new ATOM 0 HD21 LEU A 129 7.230 -0.302 14.660 1.00 0.00 H new ATOM 0 HD22 LEU A 129 8.449 -1.280 15.512 1.00 0.00 H new ATOM 0 HD23 LEU A 129 7.774 -1.848 13.966 1.00 0.00 H new