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 45 THR OG1 : rot -149:sc= -0.771 USER MOD Set 1.2: A 48 GLN : amide:sc= -0.25 X(o=-1,f=-1.2) USER MOD Single : A 2 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0183) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 13 ASN : amide:sc= -8.53! C(o=-8.5!,f=-5.4!) USER MOD Single : A 15 ASN : amide:sc= -0.639 K(o=-0.64,f=-1.3) USER MOD Single : A 16 ASN : amide:sc= -0.878 X(o=-0.88,f=-1.3) USER MOD Single : A 21 THR OG1 : rot 110:sc= 0.653 USER MOD Single : A 31 ASN : amide:sc= -0.897 K(o=-0.9,f=-1.8!) USER MOD Single : A 32 LYS NZ :NH3+ -157:sc= -0.0693 (180deg=-0.368) USER MOD Single : A 39 LYS NZ :NH3+ 142:sc= -0.932 (180deg=-2.25!) USER MOD Single : A 42 MET CE :methyl 164:sc= -0.319 (180deg=-0.577) USER MOD Single : A 55 GLN : amide:sc= -0.292 X(o=-0.29,f=-0.071) USER MOD Single : A 61 THR OG1 : rot -66:sc= 1.28 USER MOD Single : A 63 GLN : amide:sc= -0.144 K(o=-0.14,f=-0.71) USER MOD Single : A 64 HIS : no HD1:sc= -24.9! C(o=-25!,f=-21!) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 139:sc= 0.816 (180deg=-1.07!) USER MOD Single : A 73 TYR OH : rot -121:sc= 0.325 USER MOD Single : A 79 HIS : no HD1:sc= -2.39 K(o=-2.4,f=-4.4!) USER MOD Single : A 81 THR OG1 : rot -160:sc= -1.31 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 GLN : amide:sc= -0.539 K(o=-0.54,f=-2.6!) USER MOD Single : A 105 MET CE :methyl -163:sc= -1.56 (180deg=-2.55) USER MOD Single : A 106 SER OG : rot 180:sc= 0.0585 USER MOD Single : A 111 ASN : amide:sc= -0.153 K(o=-0.15,f=-4.5!) USER MOD Single : A 119 ASN : amide:sc= -0.718 K(o=-0.72,f=-4.8!) USER MOD Single : A 125 LYS NZ :NH3+ -129:sc= 0.0868 (180deg=0) USER MOD Single : A 127 LYS NZ :NH3+ 169:sc=-0.00795 (180deg=-0.178) USER MOD ----------------------------------------------------------------- ATOM 20 N LYS A 2 -21.648 -5.687 -1.260 1.00 0.00 N ATOM 21 CA LYS A 2 -20.528 -5.022 -1.916 1.00 0.00 C ATOM 22 C LYS A 2 -19.235 -5.806 -1.716 1.00 0.00 C ATOM 23 O LYS A 2 -18.986 -6.349 -0.638 1.00 0.00 O ATOM 24 CB LYS A 2 -20.365 -3.600 -1.375 1.00 0.00 C ATOM 25 CG LYS A 2 -19.947 -2.591 -2.432 1.00 0.00 C ATOM 26 CD LYS A 2 -19.590 -1.250 -1.811 1.00 0.00 C ATOM 27 CE LYS A 2 -20.081 -0.092 -2.666 1.00 0.00 C ATOM 28 NZ LYS A 2 -19.457 -0.096 -4.018 1.00 0.00 N ATOM 0 HA LYS A 2 -20.741 -4.976 -2.984 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -21.307 -3.279 -0.931 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -19.622 -3.607 -0.577 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -19.091 -2.976 -2.986 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -20.757 -2.457 -3.149 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -20.029 -1.180 -0.816 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -18.509 -1.181 -1.689 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -21.165 -0.149 -2.766 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -19.856 0.850 -2.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -19.752 0.754 -4.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -18.421 -0.102 -3.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -19.761 -0.944 -4.538 1.00 0.00 H new ATOM 42 N LYS A 3 -18.414 -5.859 -2.759 1.00 0.00 N ATOM 43 CA LYS A 3 -17.144 -6.574 -2.701 1.00 0.00 C ATOM 44 C LYS A 3 -16.053 -5.798 -3.429 1.00 0.00 C ATOM 45 O LYS A 3 -16.225 -5.394 -4.579 1.00 0.00 O ATOM 46 CB LYS A 3 -17.289 -7.970 -3.305 1.00 0.00 C ATOM 47 CG LYS A 3 -17.820 -7.968 -4.730 1.00 0.00 C ATOM 48 CD LYS A 3 -17.133 -9.023 -5.583 1.00 0.00 C ATOM 49 CE LYS A 3 -15.744 -8.579 -6.009 1.00 0.00 C ATOM 50 NZ LYS A 3 -15.760 -7.889 -7.329 1.00 0.00 N ATOM 0 H LYS A 3 -18.606 -5.414 -3.657 1.00 0.00 H new ATOM 0 HA LYS A 3 -16.858 -6.672 -1.654 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -16.318 -8.466 -3.289 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -17.958 -8.560 -2.678 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -18.895 -8.151 -4.719 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -17.668 -6.984 -5.174 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -17.062 -9.955 -5.023 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -17.737 -9.228 -6.467 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -15.330 -7.910 -5.255 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -15.086 -9.446 -6.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -14.793 -7.602 -7.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -16.131 -8.536 -8.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -16.367 -7.047 -7.273 1.00 0.00 H new ATOM 64 N LEU A 4 -14.930 -5.583 -2.750 1.00 0.00 N ATOM 65 CA LEU A 4 -13.819 -4.845 -3.335 1.00 0.00 C ATOM 66 C LEU A 4 -12.473 -5.375 -2.844 1.00 0.00 C ATOM 67 O LEU A 4 -12.330 -5.753 -1.681 1.00 0.00 O ATOM 68 CB LEU A 4 -13.950 -3.362 -2.992 1.00 0.00 C ATOM 69 CG LEU A 4 -13.773 -3.024 -1.511 1.00 0.00 C ATOM 70 CD1 LEU A 4 -12.309 -2.771 -1.192 1.00 0.00 C ATOM 71 CD2 LEU A 4 -14.619 -1.817 -1.137 1.00 0.00 C ATOM 0 H LEU A 4 -14.767 -5.909 -1.797 1.00 0.00 H new ATOM 0 HA LEU A 4 -13.856 -4.979 -4.416 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -13.211 -2.805 -3.567 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -14.932 -3.015 -3.314 1.00 0.00 H new ATOM 0 HG LEU A 4 -14.109 -3.876 -0.920 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -12.203 -2.532 -0.134 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -11.727 -3.663 -1.423 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -11.945 -1.936 -1.791 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -14.482 -1.590 -0.080 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -14.313 -0.959 -1.735 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -15.670 -2.036 -1.327 1.00 0.00 H new ATOM 83 N GLN A 5 -11.489 -5.398 -3.741 1.00 0.00 N ATOM 84 CA GLN A 5 -10.154 -5.874 -3.405 1.00 0.00 C ATOM 85 C GLN A 5 -9.187 -4.716 -3.206 1.00 0.00 C ATOM 86 O GLN A 5 -9.368 -3.634 -3.766 1.00 0.00 O ATOM 87 CB GLN A 5 -9.626 -6.797 -4.498 1.00 0.00 C ATOM 88 CG GLN A 5 -10.620 -7.864 -4.898 1.00 0.00 C ATOM 89 CD GLN A 5 -10.004 -8.952 -5.754 1.00 0.00 C ATOM 90 OE1 GLN A 5 -9.839 -8.789 -6.964 1.00 0.00 O ATOM 91 NE2 GLN A 5 -9.658 -10.072 -5.129 1.00 0.00 N ATOM 0 H GLN A 5 -11.594 -5.091 -4.708 1.00 0.00 H new ATOM 0 HA GLN A 5 -10.229 -6.427 -2.469 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -9.366 -6.203 -5.374 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -8.709 -7.273 -4.152 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -11.045 -8.312 -4.000 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -11.442 -7.401 -5.444 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -9.813 -10.164 -4.125 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -9.238 -10.839 -5.653 1.00 0.00 H new ATOM 100 N ILE A 6 -8.160 -4.956 -2.405 1.00 0.00 N ATOM 101 CA ILE A 6 -7.154 -3.953 -2.118 1.00 0.00 C ATOM 102 C ILE A 6 -5.785 -4.593 -1.929 1.00 0.00 C ATOM 103 O ILE A 6 -5.579 -5.360 -0.992 1.00 0.00 O ATOM 104 CB ILE A 6 -7.503 -3.174 -0.842 1.00 0.00 C ATOM 105 CG1 ILE A 6 -8.929 -2.633 -0.919 1.00 0.00 C ATOM 106 CG2 ILE A 6 -6.508 -2.052 -0.630 1.00 0.00 C ATOM 107 CD1 ILE A 6 -9.341 -1.860 0.313 1.00 0.00 C ATOM 0 H ILE A 6 -8.003 -5.849 -1.939 1.00 0.00 H new ATOM 0 HA ILE A 6 -7.129 -3.273 -2.969 1.00 0.00 H new ATOM 0 HB ILE A 6 -7.446 -3.850 0.011 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -9.019 -1.987 -1.792 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -9.619 -3.464 -1.066 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -6.764 -1.505 0.278 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -5.505 -2.468 -0.532 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -6.537 -1.374 -1.483 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -10.364 -1.503 0.194 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -9.283 -2.509 1.186 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -8.674 -1.009 0.449 1.00 0.00 H new ATOM 119 N ALA A 7 -4.845 -4.261 -2.803 1.00 0.00 N ATOM 120 CA ALA A 7 -3.495 -4.792 -2.700 1.00 0.00 C ATOM 121 C ALA A 7 -2.499 -3.653 -2.672 1.00 0.00 C ATOM 122 O ALA A 7 -2.705 -2.644 -3.332 1.00 0.00 O ATOM 123 CB ALA A 7 -3.194 -5.730 -3.857 1.00 0.00 C ATOM 0 H ALA A 7 -4.993 -3.628 -3.589 1.00 0.00 H new ATOM 0 HA ALA A 7 -3.413 -5.361 -1.774 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -2.179 -6.115 -3.759 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -3.900 -6.561 -3.845 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -3.287 -5.188 -4.798 1.00 0.00 H new ATOM 129 N VAL A 8 -1.427 -3.798 -1.912 1.00 0.00 N ATOM 130 CA VAL A 8 -0.430 -2.742 -1.851 1.00 0.00 C ATOM 131 C VAL A 8 0.978 -3.298 -1.690 1.00 0.00 C ATOM 132 O VAL A 8 1.169 -4.449 -1.298 1.00 0.00 O ATOM 133 CB VAL A 8 -0.727 -1.710 -0.737 1.00 0.00 C ATOM 134 CG1 VAL A 8 -2.154 -1.853 -0.222 1.00 0.00 C ATOM 135 CG2 VAL A 8 0.272 -1.822 0.410 1.00 0.00 C ATOM 0 H VAL A 8 -1.226 -4.618 -1.340 1.00 0.00 H new ATOM 0 HA VAL A 8 -0.487 -2.223 -2.808 1.00 0.00 H new ATOM 0 HB VAL A 8 -0.621 -0.718 -1.177 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -2.334 -1.115 0.560 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -2.854 -1.692 -1.041 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -2.295 -2.854 0.185 1.00 0.00 H new ATOM 0 HG21 VAL A 8 0.033 -1.082 1.174 1.00 0.00 H new ATOM 0 HG22 VAL A 8 0.219 -2.821 0.843 1.00 0.00 H new ATOM 0 HG23 VAL A 8 1.279 -1.643 0.034 1.00 0.00 H new ATOM 145 N GLY A 9 1.958 -2.457 -1.986 1.00 0.00 N ATOM 146 CA GLY A 9 3.343 -2.851 -1.861 1.00 0.00 C ATOM 147 C GLY A 9 4.204 -1.715 -1.357 1.00 0.00 C ATOM 148 O GLY A 9 4.473 -0.759 -2.084 1.00 0.00 O ATOM 0 H GLY A 9 1.815 -1.501 -2.313 1.00 0.00 H new ATOM 0 HA2 GLY A 9 3.420 -3.697 -1.178 1.00 0.00 H new ATOM 0 HA3 GLY A 9 3.714 -3.188 -2.829 1.00 0.00 H new ATOM 152 N ILE A 10 4.644 -1.821 -0.113 1.00 0.00 N ATOM 153 CA ILE A 10 5.489 -0.791 0.486 1.00 0.00 C ATOM 154 C ILE A 10 6.871 -0.828 -0.152 1.00 0.00 C ATOM 155 O ILE A 10 7.635 -1.764 0.073 1.00 0.00 O ATOM 156 CB ILE A 10 5.635 -0.942 2.026 1.00 0.00 C ATOM 157 CG1 ILE A 10 4.902 -2.179 2.562 1.00 0.00 C ATOM 158 CG2 ILE A 10 5.122 0.304 2.730 1.00 0.00 C ATOM 159 CD1 ILE A 10 5.627 -3.480 2.291 1.00 0.00 C ATOM 0 H ILE A 10 4.433 -2.606 0.503 1.00 0.00 H new ATOM 0 HA ILE A 10 5.000 0.165 0.299 1.00 0.00 H new ATOM 0 HB ILE A 10 6.697 -1.071 2.235 1.00 0.00 H new ATOM 0 HG12 ILE A 10 4.760 -2.069 3.637 1.00 0.00 H new ATOM 0 HG13 ILE A 10 3.910 -2.226 2.113 1.00 0.00 H new ATOM 0 HG21 ILE A 10 5.231 0.184 3.808 1.00 0.00 H new ATOM 0 HG22 ILE A 10 5.697 1.170 2.402 1.00 0.00 H new ATOM 0 HG23 ILE A 10 4.070 0.453 2.486 1.00 0.00 H new ATOM 0 HD11 ILE A 10 5.050 -4.310 2.698 1.00 0.00 H new ATOM 0 HD12 ILE A 10 5.745 -3.613 1.216 1.00 0.00 H new ATOM 0 HD13 ILE A 10 6.609 -3.455 2.764 1.00 0.00 H new ATOM 171 N ILE A 11 7.180 0.185 -0.961 1.00 0.00 N ATOM 172 CA ILE A 11 8.471 0.244 -1.646 1.00 0.00 C ATOM 173 C ILE A 11 9.603 0.555 -0.675 1.00 0.00 C ATOM 174 O ILE A 11 9.591 1.581 0.001 1.00 0.00 O ATOM 175 CB ILE A 11 8.502 1.284 -2.795 1.00 0.00 C ATOM 176 CG1 ILE A 11 7.093 1.655 -3.271 1.00 0.00 C ATOM 177 CG2 ILE A 11 9.317 0.747 -3.960 1.00 0.00 C ATOM 178 CD1 ILE A 11 6.593 2.958 -2.689 1.00 0.00 C ATOM 0 H ILE A 11 6.559 0.970 -1.157 1.00 0.00 H new ATOM 0 HA ILE A 11 8.613 -0.746 -2.078 1.00 0.00 H new ATOM 0 HB ILE A 11 8.968 2.189 -2.406 1.00 0.00 H new ATOM 0 HG12 ILE A 11 7.090 1.725 -4.359 1.00 0.00 H new ATOM 0 HG13 ILE A 11 6.403 0.855 -3.002 1.00 0.00 H new ATOM 0 HG21 ILE A 11 9.334 1.484 -4.763 1.00 0.00 H new ATOM 0 HG22 ILE A 11 10.336 0.547 -3.630 1.00 0.00 H new ATOM 0 HG23 ILE A 11 8.866 -0.176 -4.324 1.00 0.00 H new ATOM 0 HD11 ILE A 11 5.591 3.164 -3.065 1.00 0.00 H new ATOM 0 HD12 ILE A 11 6.565 2.884 -1.602 1.00 0.00 H new ATOM 0 HD13 ILE A 11 7.263 3.767 -2.980 1.00 0.00 H new ATOM 190 N ARG A 12 10.584 -0.341 -0.616 1.00 0.00 N ATOM 191 CA ARG A 12 11.734 -0.168 0.268 1.00 0.00 C ATOM 192 C ARG A 12 12.803 0.691 -0.387 1.00 0.00 C ATOM 193 O ARG A 12 13.312 0.351 -1.462 1.00 0.00 O ATOM 194 CB ARG A 12 12.338 -1.523 0.640 1.00 0.00 C ATOM 195 CG ARG A 12 11.968 -1.993 2.037 1.00 0.00 C ATOM 196 CD ARG A 12 13.155 -1.915 2.986 1.00 0.00 C ATOM 197 NE ARG A 12 14.259 -2.770 2.555 1.00 0.00 N ATOM 198 CZ ARG A 12 15.230 -3.191 3.363 1.00 0.00 C ATOM 199 NH1 ARG A 12 15.241 -2.835 4.642 1.00 0.00 N ATOM 200 NH2 ARG A 12 16.195 -3.968 2.890 1.00 0.00 N ATOM 0 H ARG A 12 10.606 -1.196 -1.171 1.00 0.00 H new ATOM 0 HA ARG A 12 11.380 0.332 1.170 1.00 0.00 H new ATOM 0 HB2 ARG A 12 12.009 -2.269 -0.084 1.00 0.00 H new ATOM 0 HB3 ARG A 12 13.423 -1.461 0.563 1.00 0.00 H new ATOM 0 HG2 ARG A 12 11.152 -1.382 2.423 1.00 0.00 H new ATOM 0 HG3 ARG A 12 11.604 -3.019 1.992 1.00 0.00 H new ATOM 0 HD2 ARG A 12 13.500 -0.883 3.051 1.00 0.00 H new ATOM 0 HD3 ARG A 12 12.839 -2.209 3.987 1.00 0.00 H new ATOM 0 HE ARG A 12 14.287 -3.061 1.578 1.00 0.00 H new ATOM 0 HH11 ARG A 12 14.503 -2.236 5.011 1.00 0.00 H new ATOM 0 HH12 ARG A 12 15.988 -3.161 5.256 1.00 0.00 H new ATOM 0 HH21 ARG A 12 16.193 -4.243 1.908 1.00 0.00 H new ATOM 0 HH22 ARG A 12 16.939 -4.291 3.508 1.00 0.00 H new ATOM 214 N ASN A 13 13.143 1.795 0.277 1.00 0.00 N ATOM 215 CA ASN A 13 14.165 2.711 -0.224 1.00 0.00 C ATOM 216 C ASN A 13 15.570 2.200 0.067 1.00 0.00 C ATOM 217 O ASN A 13 15.770 1.062 0.491 1.00 0.00 O ATOM 218 CB ASN A 13 13.976 4.141 0.319 1.00 0.00 C ATOM 219 CG ASN A 13 14.959 4.542 1.405 1.00 0.00 C ATOM 220 OD1 ASN A 13 15.976 5.181 1.136 1.00 0.00 O ATOM 221 ND2 ASN A 13 14.656 4.172 2.638 1.00 0.00 N ATOM 0 H ASN A 13 12.725 2.076 1.164 1.00 0.00 H new ATOM 0 HA ASN A 13 14.042 2.753 -1.306 1.00 0.00 H new ATOM 0 HB2 ASN A 13 14.064 4.844 -0.509 1.00 0.00 H new ATOM 0 HB3 ASN A 13 12.963 4.235 0.711 1.00 0.00 H new ATOM 0 HD21 ASN A 13 15.276 4.416 3.410 1.00 0.00 H new ATOM 0 HD22 ASN A 13 13.802 3.643 2.816 1.00 0.00 H new ATOM 228 N GLU A 14 16.530 3.063 -0.206 1.00 0.00 N ATOM 229 CA GLU A 14 17.948 2.760 -0.029 1.00 0.00 C ATOM 230 C GLU A 14 18.425 2.937 1.417 1.00 0.00 C ATOM 231 O GLU A 14 19.628 3.004 1.669 1.00 0.00 O ATOM 232 CB GLU A 14 18.765 3.665 -0.952 1.00 0.00 C ATOM 233 CG GLU A 14 20.263 3.410 -0.901 1.00 0.00 C ATOM 234 CD GLU A 14 21.016 4.500 -0.165 1.00 0.00 C ATOM 235 OE1 GLU A 14 20.381 5.230 0.626 1.00 0.00 O ATOM 236 OE2 GLU A 14 22.240 4.624 -0.378 1.00 0.00 O ATOM 0 H GLU A 14 16.352 4.003 -0.560 1.00 0.00 H new ATOM 0 HA GLU A 14 18.092 1.709 -0.280 1.00 0.00 H new ATOM 0 HB2 GLU A 14 18.418 3.529 -1.977 1.00 0.00 H new ATOM 0 HB3 GLU A 14 18.575 4.705 -0.686 1.00 0.00 H new ATOM 0 HG2 GLU A 14 20.448 2.453 -0.413 1.00 0.00 H new ATOM 0 HG3 GLU A 14 20.649 3.330 -1.917 1.00 0.00 H new ATOM 243 N ASN A 15 17.499 3.019 2.367 1.00 0.00 N ATOM 244 CA ASN A 15 17.881 3.198 3.767 1.00 0.00 C ATOM 245 C ASN A 15 16.942 2.456 4.722 1.00 0.00 C ATOM 246 O ASN A 15 16.545 2.993 5.756 1.00 0.00 O ATOM 247 CB ASN A 15 17.905 4.687 4.109 1.00 0.00 C ATOM 248 CG ASN A 15 18.392 4.954 5.520 1.00 0.00 C ATOM 249 OD1 ASN A 15 19.205 4.203 6.060 1.00 0.00 O ATOM 250 ND2 ASN A 15 17.896 6.027 6.125 1.00 0.00 N ATOM 0 H ASN A 15 16.494 2.966 2.200 1.00 0.00 H new ATOM 0 HA ASN A 15 18.876 2.772 3.894 1.00 0.00 H new ATOM 0 HB2 ASN A 15 18.550 5.208 3.401 1.00 0.00 H new ATOM 0 HB3 ASN A 15 16.903 5.099 3.990 1.00 0.00 H new ATOM 0 HD21 ASN A 15 18.187 6.257 7.075 1.00 0.00 H new ATOM 0 HD22 ASN A 15 17.224 6.621 5.639 1.00 0.00 H new ATOM 257 N ASN A 16 16.602 1.215 4.381 1.00 0.00 N ATOM 258 CA ASN A 16 15.720 0.396 5.219 1.00 0.00 C ATOM 259 C ASN A 16 14.399 1.106 5.527 1.00 0.00 C ATOM 260 O ASN A 16 13.674 0.720 6.444 1.00 0.00 O ATOM 261 CB ASN A 16 16.412 0.002 6.529 1.00 0.00 C ATOM 262 CG ASN A 16 17.892 0.340 6.554 1.00 0.00 C ATOM 263 OD1 ASN A 16 18.305 1.328 7.161 1.00 0.00 O ATOM 264 ND2 ASN A 16 18.697 -0.480 5.888 1.00 0.00 N ATOM 0 H ASN A 16 16.922 0.752 3.531 1.00 0.00 H new ATOM 0 HA ASN A 16 15.496 -0.505 4.648 1.00 0.00 H new ATOM 0 HB2 ASN A 16 15.917 0.507 7.359 1.00 0.00 H new ATOM 0 HB3 ASN A 16 16.289 -1.069 6.689 1.00 0.00 H new ATOM 0 HD21 ASN A 16 19.701 -0.302 5.866 1.00 0.00 H new ATOM 0 HD22 ASN A 16 18.311 -1.288 5.399 1.00 0.00 H new ATOM 271 N GLU A 17 14.080 2.128 4.742 1.00 0.00 N ATOM 272 CA GLU A 17 12.836 2.868 4.916 1.00 0.00 C ATOM 273 C GLU A 17 11.981 2.700 3.673 1.00 0.00 C ATOM 274 O GLU A 17 12.491 2.333 2.619 1.00 0.00 O ATOM 275 CB GLU A 17 13.096 4.355 5.175 1.00 0.00 C ATOM 276 CG GLU A 17 14.371 4.638 5.947 1.00 0.00 C ATOM 277 CD GLU A 17 14.218 5.788 6.922 1.00 0.00 C ATOM 278 OE1 GLU A 17 13.649 6.827 6.528 1.00 0.00 O ATOM 279 OE2 GLU A 17 14.666 5.649 8.079 1.00 0.00 O ATOM 0 H GLU A 17 14.666 2.464 3.978 1.00 0.00 H new ATOM 0 HA GLU A 17 12.316 2.469 5.787 1.00 0.00 H new ATOM 0 HB2 GLU A 17 13.140 4.877 4.219 1.00 0.00 H new ATOM 0 HB3 GLU A 17 12.252 4.770 5.726 1.00 0.00 H new ATOM 0 HG2 GLU A 17 14.668 3.742 6.492 1.00 0.00 H new ATOM 0 HG3 GLU A 17 15.173 4.866 5.245 1.00 0.00 H new ATOM 286 N ILE A 18 10.690 2.955 3.785 1.00 0.00 N ATOM 287 CA ILE A 18 9.803 2.808 2.642 1.00 0.00 C ATOM 288 C ILE A 18 9.093 4.117 2.315 1.00 0.00 C ATOM 289 O ILE A 18 8.665 4.851 3.207 1.00 0.00 O ATOM 290 CB ILE A 18 8.773 1.690 2.892 1.00 0.00 C ATOM 291 CG1 ILE A 18 9.444 0.323 2.760 1.00 0.00 C ATOM 292 CG2 ILE A 18 7.588 1.800 1.939 1.00 0.00 C ATOM 293 CD1 ILE A 18 8.964 -0.689 3.778 1.00 0.00 C ATOM 0 H ILE A 18 10.235 3.262 4.645 1.00 0.00 H new ATOM 0 HA ILE A 18 10.416 2.534 1.784 1.00 0.00 H new ATOM 0 HB ILE A 18 8.390 1.802 3.906 1.00 0.00 H new ATOM 0 HG12 ILE A 18 9.261 -0.067 1.759 1.00 0.00 H new ATOM 0 HG13 ILE A 18 10.522 0.446 2.862 1.00 0.00 H new ATOM 0 HG21 ILE A 18 6.881 0.996 2.143 1.00 0.00 H new ATOM 0 HG22 ILE A 18 7.095 2.762 2.081 1.00 0.00 H new ATOM 0 HG23 ILE A 18 7.940 1.721 0.910 1.00 0.00 H new ATOM 0 HD11 ILE A 18 9.483 -1.635 3.624 1.00 0.00 H new ATOM 0 HD12 ILE A 18 9.171 -0.321 4.783 1.00 0.00 H new ATOM 0 HD13 ILE A 18 7.891 -0.841 3.662 1.00 0.00 H new ATOM 305 N PHE A 19 8.974 4.398 1.022 1.00 0.00 N ATOM 306 CA PHE A 19 8.321 5.611 0.555 1.00 0.00 C ATOM 307 C PHE A 19 6.822 5.389 0.382 1.00 0.00 C ATOM 308 O PHE A 19 6.366 4.880 -0.642 1.00 0.00 O ATOM 309 CB PHE A 19 8.965 6.079 -0.762 1.00 0.00 C ATOM 310 CG PHE A 19 8.166 7.086 -1.563 1.00 0.00 C ATOM 311 CD1 PHE A 19 7.101 7.785 -1.009 1.00 0.00 C ATOM 312 CD2 PHE A 19 8.485 7.318 -2.891 1.00 0.00 C ATOM 313 CE1 PHE A 19 6.378 8.687 -1.764 1.00 0.00 C ATOM 314 CE2 PHE A 19 7.765 8.222 -3.648 1.00 0.00 C ATOM 315 CZ PHE A 19 6.709 8.905 -3.084 1.00 0.00 C ATOM 0 H PHE A 19 9.324 3.797 0.276 1.00 0.00 H new ATOM 0 HA PHE A 19 8.454 6.391 1.304 1.00 0.00 H new ATOM 0 HB2 PHE A 19 9.938 6.514 -0.535 1.00 0.00 H new ATOM 0 HB3 PHE A 19 9.145 5.205 -1.388 1.00 0.00 H new ATOM 0 HD1 PHE A 19 6.835 7.621 0.025 1.00 0.00 H new ATOM 0 HD2 PHE A 19 9.309 6.784 -3.341 1.00 0.00 H new ATOM 0 HE1 PHE A 19 5.552 9.222 -1.320 1.00 0.00 H new ATOM 0 HE2 PHE A 19 8.029 8.393 -4.681 1.00 0.00 H new ATOM 0 HZ PHE A 19 6.142 9.609 -3.675 1.00 0.00 H new ATOM 325 N ILE A 20 6.065 5.812 1.388 1.00 0.00 N ATOM 326 CA ILE A 20 4.619 5.712 1.364 1.00 0.00 C ATOM 327 C ILE A 20 4.031 7.119 1.326 1.00 0.00 C ATOM 328 O ILE A 20 4.725 8.087 1.637 1.00 0.00 O ATOM 329 CB ILE A 20 4.060 4.962 2.598 1.00 0.00 C ATOM 330 CG1 ILE A 20 5.153 4.720 3.648 1.00 0.00 C ATOM 331 CG2 ILE A 20 3.428 3.643 2.178 1.00 0.00 C ATOM 332 CD1 ILE A 20 5.457 5.938 4.492 1.00 0.00 C ATOM 0 H ILE A 20 6.439 6.232 2.239 1.00 0.00 H new ATOM 0 HA ILE A 20 4.337 5.143 0.478 1.00 0.00 H new ATOM 0 HB ILE A 20 3.294 5.591 3.051 1.00 0.00 H new ATOM 0 HG12 ILE A 20 4.845 3.903 4.300 1.00 0.00 H new ATOM 0 HG13 ILE A 20 6.065 4.399 3.145 1.00 0.00 H new ATOM 0 HG21 ILE A 20 3.040 3.129 3.058 1.00 0.00 H new ATOM 0 HG22 ILE A 20 2.612 3.836 1.481 1.00 0.00 H new ATOM 0 HG23 ILE A 20 4.178 3.018 1.694 1.00 0.00 H new ATOM 0 HD11 ILE A 20 6.238 5.696 5.213 1.00 0.00 H new ATOM 0 HD12 ILE A 20 5.796 6.751 3.849 1.00 0.00 H new ATOM 0 HD13 ILE A 20 4.557 6.247 5.023 1.00 0.00 H new ATOM 344 N THR A 21 2.769 7.245 0.947 1.00 0.00 N ATOM 345 CA THR A 21 2.141 8.559 0.882 1.00 0.00 C ATOM 346 C THR A 21 1.917 9.118 2.282 1.00 0.00 C ATOM 347 O THR A 21 1.649 8.373 3.223 1.00 0.00 O ATOM 348 CB THR A 21 0.812 8.492 0.133 1.00 0.00 C ATOM 349 OG1 THR A 21 -0.208 7.969 0.965 1.00 0.00 O ATOM 350 CG2 THR A 21 0.868 7.637 -1.116 1.00 0.00 C ATOM 0 H THR A 21 2.165 6.467 0.683 1.00 0.00 H new ATOM 0 HA THR A 21 2.814 9.223 0.340 1.00 0.00 H new ATOM 0 HB THR A 21 0.596 9.520 -0.159 1.00 0.00 H new ATOM 0 HG1 THR A 21 -0.845 8.680 1.188 1.00 0.00 H new ATOM 0 HG21 THR A 21 -0.109 7.633 -1.599 1.00 0.00 H new ATOM 0 HG22 THR A 21 1.610 8.044 -1.803 1.00 0.00 H new ATOM 0 HG23 THR A 21 1.143 6.617 -0.847 1.00 0.00 H new ATOM 358 N ARG A 22 2.038 10.437 2.415 1.00 0.00 N ATOM 359 CA ARG A 22 1.855 11.094 3.703 1.00 0.00 C ATOM 360 C ARG A 22 1.276 12.494 3.527 1.00 0.00 C ATOM 361 O ARG A 22 2.008 13.453 3.282 1.00 0.00 O ATOM 362 CB ARG A 22 3.186 11.171 4.453 1.00 0.00 C ATOM 363 CG ARG A 22 3.058 11.725 5.862 1.00 0.00 C ATOM 364 CD ARG A 22 4.407 11.787 6.561 1.00 0.00 C ATOM 365 NE ARG A 22 4.427 12.786 7.626 1.00 0.00 N ATOM 366 CZ ARG A 22 4.525 14.096 7.411 1.00 0.00 C ATOM 367 NH1 ARG A 22 4.612 14.568 6.174 1.00 0.00 N ATOM 368 NH2 ARG A 22 4.535 14.935 8.437 1.00 0.00 N ATOM 0 H ARG A 22 2.262 11.069 1.647 1.00 0.00 H new ATOM 0 HA ARG A 22 1.150 10.502 4.286 1.00 0.00 H new ATOM 0 HB2 ARG A 22 3.624 10.174 4.502 1.00 0.00 H new ATOM 0 HB3 ARG A 22 3.877 11.796 3.887 1.00 0.00 H new ATOM 0 HG2 ARG A 22 2.621 12.723 5.823 1.00 0.00 H new ATOM 0 HG3 ARG A 22 2.376 11.100 6.439 1.00 0.00 H new ATOM 0 HD2 ARG A 22 4.644 10.808 6.978 1.00 0.00 H new ATOM 0 HD3 ARG A 22 5.183 12.019 5.831 1.00 0.00 H new ATOM 0 HE ARG A 22 4.362 12.461 8.591 1.00 0.00 H new ATOM 0 HH11 ARG A 22 4.604 13.926 5.381 1.00 0.00 H new ATOM 0 HH12 ARG A 22 4.687 15.573 6.016 1.00 0.00 H new ATOM 0 HH21 ARG A 22 4.468 14.577 9.390 1.00 0.00 H new ATOM 0 HH22 ARG A 22 4.610 15.939 8.274 1.00 0.00 H new ATOM 493 N ASN A 31 -5.125 12.500 6.066 1.00 0.00 N ATOM 494 CA ASN A 31 -5.477 11.172 6.553 1.00 0.00 C ATOM 495 C ASN A 31 -5.386 10.129 5.442 1.00 0.00 C ATOM 496 O ASN A 31 -6.103 9.128 5.459 1.00 0.00 O ATOM 497 CB ASN A 31 -6.891 11.183 7.139 1.00 0.00 C ATOM 498 CG ASN A 31 -7.154 9.989 8.035 1.00 0.00 C ATOM 499 OD1 ASN A 31 -7.449 8.893 7.559 1.00 0.00 O ATOM 500 ND2 ASN A 31 -7.049 10.196 9.343 1.00 0.00 N ATOM 0 HA ASN A 31 -4.763 10.903 7.331 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -7.038 12.101 7.708 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -7.618 11.192 6.327 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -7.215 9.430 9.996 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -6.802 11.121 9.695 1.00 0.00 H new ATOM 507 N LYS A 32 -4.507 10.370 4.471 1.00 0.00 N ATOM 508 CA LYS A 32 -4.336 9.447 3.351 1.00 0.00 C ATOM 509 C LYS A 32 -2.958 8.801 3.352 1.00 0.00 C ATOM 510 O LYS A 32 -2.448 8.398 2.307 1.00 0.00 O ATOM 511 CB LYS A 32 -4.583 10.163 2.022 1.00 0.00 C ATOM 512 CG LYS A 32 -5.783 9.626 1.260 1.00 0.00 C ATOM 513 CD LYS A 32 -5.506 9.542 -0.233 1.00 0.00 C ATOM 514 CE LYS A 32 -6.333 8.449 -0.891 1.00 0.00 C ATOM 515 NZ LYS A 32 -5.892 7.090 -0.472 1.00 0.00 N ATOM 0 H LYS A 32 -3.905 11.193 4.437 1.00 0.00 H new ATOM 0 HA LYS A 32 -5.073 8.653 3.471 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -4.729 11.226 2.213 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -3.694 10.070 1.397 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -6.043 8.637 1.639 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -6.644 10.271 1.435 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -5.730 10.501 -0.700 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -4.446 9.347 -0.397 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -7.384 8.585 -0.635 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -6.255 8.538 -1.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -6.179 6.395 -1.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -4.857 7.077 -0.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -6.331 6.848 0.439 1.00 0.00 H new ATOM 529 N LEU A 33 -2.364 8.705 4.528 1.00 0.00 N ATOM 530 CA LEU A 33 -1.041 8.103 4.671 1.00 0.00 C ATOM 531 C LEU A 33 -1.101 6.601 4.406 1.00 0.00 C ATOM 532 O LEU A 33 -0.904 5.792 5.311 1.00 0.00 O ATOM 533 CB LEU A 33 -0.486 8.364 6.073 1.00 0.00 C ATOM 534 CG LEU A 33 1.037 8.297 6.193 1.00 0.00 C ATOM 535 CD1 LEU A 33 1.475 8.639 7.609 1.00 0.00 C ATOM 536 CD2 LEU A 33 1.543 6.918 5.796 1.00 0.00 C ATOM 0 H LEU A 33 -2.774 9.035 5.402 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.378 8.560 3.937 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.817 9.350 6.400 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -0.921 7.638 6.760 1.00 0.00 H new ATOM 0 HG LEU A 33 1.469 9.031 5.512 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.562 8.586 7.676 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.144 9.647 7.859 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.033 7.929 8.308 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.629 6.889 5.887 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.103 6.166 6.452 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.260 6.710 4.764 1.00 0.00 H new ATOM 548 N GLU A 34 -1.381 6.235 3.157 1.00 0.00 N ATOM 549 CA GLU A 34 -1.479 4.830 2.776 1.00 0.00 C ATOM 550 C GLU A 34 -0.282 4.398 1.936 1.00 0.00 C ATOM 551 O GLU A 34 0.718 5.110 1.846 1.00 0.00 O ATOM 552 CB GLU A 34 -2.776 4.580 2.006 1.00 0.00 C ATOM 553 CG GLU A 34 -3.456 3.271 2.368 1.00 0.00 C ATOM 554 CD GLU A 34 -4.006 2.545 1.156 1.00 0.00 C ATOM 555 OE1 GLU A 34 -3.321 2.530 0.111 1.00 0.00 O ATOM 556 OE2 GLU A 34 -5.122 1.992 1.251 1.00 0.00 O ATOM 0 H GLU A 34 -1.544 6.892 2.394 1.00 0.00 H new ATOM 0 HA GLU A 34 -1.483 4.236 3.690 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -3.466 5.403 2.196 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -2.561 4.585 0.937 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -2.743 2.625 2.881 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -4.268 3.469 3.068 1.00 0.00 H new ATOM 563 N PHE A 35 -0.391 3.220 1.328 1.00 0.00 N ATOM 564 CA PHE A 35 0.684 2.681 0.502 1.00 0.00 C ATOM 565 C PHE A 35 0.226 2.466 -0.941 1.00 0.00 C ATOM 566 O PHE A 35 -0.967 2.530 -1.243 1.00 0.00 O ATOM 567 CB PHE A 35 1.205 1.364 1.085 1.00 0.00 C ATOM 568 CG PHE A 35 0.806 1.130 2.516 1.00 0.00 C ATOM 569 CD1 PHE A 35 -0.499 0.791 2.838 1.00 0.00 C ATOM 570 CD2 PHE A 35 1.733 1.253 3.538 1.00 0.00 C ATOM 571 CE1 PHE A 35 -0.869 0.579 4.151 1.00 0.00 C ATOM 572 CE2 PHE A 35 1.367 1.041 4.854 1.00 0.00 C ATOM 573 CZ PHE A 35 0.064 0.704 5.160 1.00 0.00 C ATOM 0 H PHE A 35 -1.214 2.620 1.392 1.00 0.00 H new ATOM 0 HA PHE A 35 1.492 3.413 0.498 1.00 0.00 H new ATOM 0 HB2 PHE A 35 0.837 0.538 0.476 1.00 0.00 H new ATOM 0 HB3 PHE A 35 2.293 1.352 1.015 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -1.234 0.692 2.053 1.00 0.00 H new ATOM 0 HD2 PHE A 35 2.754 1.518 3.304 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -1.889 0.315 4.389 1.00 0.00 H new ATOM 0 HE2 PHE A 35 2.100 1.139 5.642 1.00 0.00 H new ATOM 0 HZ PHE A 35 -0.225 0.538 6.187 1.00 0.00 H new ATOM 583 N PRO A 36 1.181 2.210 -1.852 1.00 0.00 N ATOM 584 CA PRO A 36 0.902 1.989 -3.270 1.00 0.00 C ATOM 585 C PRO A 36 0.511 0.549 -3.589 1.00 0.00 C ATOM 586 O PRO A 36 0.686 -0.353 -2.774 1.00 0.00 O ATOM 587 CB PRO A 36 2.229 2.338 -3.933 1.00 0.00 C ATOM 588 CG PRO A 36 3.262 1.960 -2.928 1.00 0.00 C ATOM 589 CD PRO A 36 2.628 2.128 -1.567 1.00 0.00 C ATOM 0 HA PRO A 36 0.054 2.582 -3.613 1.00 0.00 H new ATOM 0 HB2 PRO A 36 2.363 1.789 -4.865 1.00 0.00 H new ATOM 0 HB3 PRO A 36 2.283 3.399 -4.177 1.00 0.00 H new ATOM 0 HG2 PRO A 36 3.589 0.931 -3.078 1.00 0.00 H new ATOM 0 HG3 PRO A 36 4.145 2.592 -3.024 1.00 0.00 H new ATOM 0 HD2 PRO A 36 2.859 1.287 -0.913 1.00 0.00 H new ATOM 0 HD3 PRO A 36 2.988 3.028 -1.068 1.00 0.00 H new ATOM 597 N GLY A 37 -0.014 0.352 -4.794 1.00 0.00 N ATOM 598 CA GLY A 37 -0.431 -0.962 -5.243 1.00 0.00 C ATOM 599 C GLY A 37 -1.931 -1.188 -5.164 1.00 0.00 C ATOM 600 O GLY A 37 -2.426 -2.212 -5.623 1.00 0.00 O ATOM 0 H GLY A 37 -0.160 1.095 -5.478 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -0.105 -1.104 -6.273 1.00 0.00 H new ATOM 0 HA3 GLY A 37 0.073 -1.718 -4.642 1.00 0.00 H new ATOM 604 N GLY A 38 -2.651 -0.231 -4.599 1.00 0.00 N ATOM 605 CA GLY A 38 -4.094 -0.338 -4.475 1.00 0.00 C ATOM 606 C GLY A 38 -4.816 -0.286 -5.810 1.00 0.00 C ATOM 607 O GLY A 38 -4.225 0.078 -6.829 1.00 0.00 O ATOM 0 H GLY A 38 -2.257 0.630 -4.219 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -4.340 -1.273 -3.973 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -4.458 0.470 -3.841 1.00 0.00 H new ATOM 611 N LYS A 39 -6.106 -0.648 -5.796 1.00 0.00 N ATOM 612 CA LYS A 39 -6.938 -0.643 -6.994 1.00 0.00 C ATOM 613 C LYS A 39 -6.753 -1.911 -7.819 1.00 0.00 C ATOM 614 O LYS A 39 -7.368 -2.065 -8.873 1.00 0.00 O ATOM 615 CB LYS A 39 -6.658 0.581 -7.858 1.00 0.00 C ATOM 616 CG LYS A 39 -7.669 0.756 -8.970 1.00 0.00 C ATOM 617 CD LYS A 39 -8.364 2.108 -8.885 1.00 0.00 C ATOM 618 CE LYS A 39 -9.298 2.180 -7.684 1.00 0.00 C ATOM 619 NZ LYS A 39 -8.594 2.637 -6.450 1.00 0.00 N ATOM 0 H LYS A 39 -6.595 -0.951 -4.954 1.00 0.00 H new ATOM 0 HA LYS A 39 -7.973 -0.605 -6.655 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -6.658 1.472 -7.230 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -5.661 0.495 -8.290 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -7.170 0.662 -9.935 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -8.412 -0.040 -8.916 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -7.617 2.899 -8.814 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -8.930 2.285 -9.799 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -10.120 2.861 -7.905 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -9.737 1.198 -7.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -9.222 3.259 -5.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -8.335 1.812 -5.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -7.734 3.159 -6.714 1.00 0.00 H new ATOM 633 N ILE A 40 -5.918 -2.824 -7.335 1.00 0.00 N ATOM 634 CA ILE A 40 -5.684 -4.080 -8.038 1.00 0.00 C ATOM 635 C ILE A 40 -7.003 -4.752 -8.384 1.00 0.00 C ATOM 636 O ILE A 40 -7.114 -5.483 -9.368 1.00 0.00 O ATOM 637 CB ILE A 40 -4.811 -5.045 -7.213 1.00 0.00 C ATOM 638 CG1 ILE A 40 -5.622 -5.701 -6.081 1.00 0.00 C ATOM 639 CG2 ILE A 40 -3.611 -4.295 -6.661 1.00 0.00 C ATOM 640 CD1 ILE A 40 -5.141 -7.090 -5.717 1.00 0.00 C ATOM 0 H ILE A 40 -5.395 -2.719 -6.465 1.00 0.00 H new ATOM 0 HA ILE A 40 -5.148 -3.839 -8.956 1.00 0.00 H new ATOM 0 HB ILE A 40 -4.461 -5.846 -7.864 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -5.575 -5.066 -5.196 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -6.669 -5.755 -6.379 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -2.993 -4.977 -6.077 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -3.025 -3.889 -7.486 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -3.953 -3.480 -6.024 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -5.759 -7.490 -4.913 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -5.214 -7.740 -6.589 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -4.103 -7.041 -5.387 1.00 0.00 H new ATOM 652 N GLU A 41 -7.995 -4.477 -7.550 1.00 0.00 N ATOM 653 CA GLU A 41 -9.338 -5.017 -7.710 1.00 0.00 C ATOM 654 C GLU A 41 -9.748 -5.026 -9.176 1.00 0.00 C ATOM 655 O GLU A 41 -9.963 -6.089 -9.758 1.00 0.00 O ATOM 656 CB GLU A 41 -10.326 -4.184 -6.890 1.00 0.00 C ATOM 657 CG GLU A 41 -10.029 -2.685 -6.900 1.00 0.00 C ATOM 658 CD GLU A 41 -11.100 -1.879 -7.608 1.00 0.00 C ATOM 659 OE1 GLU A 41 -12.214 -1.758 -7.058 1.00 0.00 O ATOM 660 OE2 GLU A 41 -10.823 -1.368 -8.714 1.00 0.00 O ATOM 0 H GLU A 41 -7.890 -3.869 -6.738 1.00 0.00 H new ATOM 0 HA GLU A 41 -9.346 -6.046 -7.351 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -11.332 -4.348 -7.276 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -10.318 -4.539 -5.860 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -9.934 -2.331 -5.873 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -9.069 -2.513 -7.387 1.00 0.00 H new ATOM 667 N MET A 42 -9.838 -3.828 -9.757 1.00 0.00 N ATOM 668 CA MET A 42 -10.207 -3.646 -11.168 1.00 0.00 C ATOM 669 C MET A 42 -10.734 -4.933 -11.810 1.00 0.00 C ATOM 670 O MET A 42 -11.944 -5.152 -11.880 1.00 0.00 O ATOM 671 CB MET A 42 -9.002 -3.123 -11.957 1.00 0.00 C ATOM 672 CG MET A 42 -9.135 -1.669 -12.376 1.00 0.00 C ATOM 673 SD MET A 42 -7.609 -0.735 -12.153 1.00 0.00 S ATOM 674 CE MET A 42 -8.198 0.938 -12.395 1.00 0.00 C ATOM 0 H MET A 42 -9.657 -2.953 -9.264 1.00 0.00 H new ATOM 0 HA MET A 42 -11.018 -2.918 -11.198 1.00 0.00 H new ATOM 0 HB2 MET A 42 -8.104 -3.237 -11.350 1.00 0.00 H new ATOM 0 HB3 MET A 42 -8.866 -3.738 -12.847 1.00 0.00 H new ATOM 0 HG2 MET A 42 -9.434 -1.623 -13.423 1.00 0.00 H new ATOM 0 HG3 MET A 42 -9.931 -1.200 -11.797 1.00 0.00 H new ATOM 0 HE1 MET A 42 -7.457 1.643 -12.017 1.00 0.00 H new ATOM 0 HE2 MET A 42 -8.359 1.117 -13.458 1.00 0.00 H new ATOM 0 HE3 MET A 42 -9.136 1.075 -11.858 1.00 0.00 H new ATOM 684 N GLY A 43 -9.817 -5.780 -12.276 1.00 0.00 N ATOM 685 CA GLY A 43 -10.213 -7.029 -12.903 1.00 0.00 C ATOM 686 C GLY A 43 -9.033 -7.902 -13.275 1.00 0.00 C ATOM 687 O GLY A 43 -9.097 -8.673 -14.233 1.00 0.00 O ATOM 0 H GLY A 43 -8.810 -5.623 -12.230 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -10.866 -7.579 -12.225 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -10.794 -6.812 -13.799 1.00 0.00 H new ATOM 691 N GLU A 44 -7.960 -7.775 -12.519 1.00 0.00 N ATOM 692 CA GLU A 44 -6.748 -8.552 -12.765 1.00 0.00 C ATOM 693 C GLU A 44 -6.853 -9.942 -12.139 1.00 0.00 C ATOM 694 O GLU A 44 -7.930 -10.361 -11.714 1.00 0.00 O ATOM 695 CB GLU A 44 -5.526 -7.815 -12.209 1.00 0.00 C ATOM 696 CG GLU A 44 -4.627 -7.232 -13.288 1.00 0.00 C ATOM 697 CD GLU A 44 -4.903 -5.764 -13.545 1.00 0.00 C ATOM 698 OE1 GLU A 44 -6.090 -5.378 -13.565 1.00 0.00 O ATOM 699 OE2 GLU A 44 -3.931 -5.000 -13.727 1.00 0.00 O ATOM 0 H GLU A 44 -7.897 -7.139 -11.724 1.00 0.00 H new ATOM 0 HA GLU A 44 -6.633 -8.671 -13.842 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -5.863 -7.011 -11.554 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -4.945 -8.503 -11.595 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -3.585 -7.356 -12.994 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -4.766 -7.792 -14.213 1.00 0.00 H new ATOM 706 N THR A 45 -5.727 -10.652 -12.085 1.00 0.00 N ATOM 707 CA THR A 45 -5.696 -11.991 -11.509 1.00 0.00 C ATOM 708 C THR A 45 -5.121 -11.946 -10.098 1.00 0.00 C ATOM 709 O THR A 45 -4.330 -11.062 -9.774 1.00 0.00 O ATOM 710 CB THR A 45 -4.857 -12.926 -12.389 1.00 0.00 C ATOM 711 OG1 THR A 45 -4.489 -12.285 -13.597 1.00 0.00 O ATOM 712 CG2 THR A 45 -5.571 -14.209 -12.752 1.00 0.00 C ATOM 0 H THR A 45 -4.827 -10.321 -12.433 1.00 0.00 H new ATOM 0 HA THR A 45 -6.716 -12.373 -11.460 1.00 0.00 H new ATOM 0 HB THR A 45 -3.981 -13.173 -11.790 1.00 0.00 H new ATOM 0 HG1 THR A 45 -4.414 -12.952 -14.311 1.00 0.00 H new ATOM 0 HG21 THR A 45 -4.921 -14.823 -13.375 1.00 0.00 H new ATOM 0 HG22 THR A 45 -5.824 -14.755 -11.843 1.00 0.00 H new ATOM 0 HG23 THR A 45 -6.484 -13.975 -13.300 1.00 0.00 H new ATOM 720 N PRO A 46 -5.501 -12.902 -9.233 1.00 0.00 N ATOM 721 CA PRO A 46 -5.012 -12.966 -7.856 1.00 0.00 C ATOM 722 C PRO A 46 -3.507 -12.719 -7.758 1.00 0.00 C ATOM 723 O PRO A 46 -3.008 -12.288 -6.719 1.00 0.00 O ATOM 724 CB PRO A 46 -5.357 -14.400 -7.411 1.00 0.00 C ATOM 725 CG PRO A 46 -5.909 -15.086 -8.620 1.00 0.00 C ATOM 726 CD PRO A 46 -6.427 -14.000 -9.515 1.00 0.00 C ATOM 0 HA PRO A 46 -5.465 -12.196 -7.231 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -4.472 -14.917 -7.039 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -6.086 -14.392 -6.600 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -5.138 -15.670 -9.122 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -6.705 -15.778 -8.346 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -6.405 -14.292 -10.565 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -7.458 -13.735 -9.279 1.00 0.00 H new ATOM 734 N GLU A 47 -2.790 -12.997 -8.844 1.00 0.00 N ATOM 735 CA GLU A 47 -1.345 -12.805 -8.874 1.00 0.00 C ATOM 736 C GLU A 47 -0.963 -11.551 -9.661 1.00 0.00 C ATOM 737 O GLU A 47 -0.070 -10.807 -9.256 1.00 0.00 O ATOM 738 CB GLU A 47 -0.662 -14.029 -9.486 1.00 0.00 C ATOM 739 CG GLU A 47 -0.252 -15.073 -8.459 1.00 0.00 C ATOM 740 CD GLU A 47 1.217 -14.984 -8.094 1.00 0.00 C ATOM 741 OE1 GLU A 47 1.650 -13.908 -7.631 1.00 0.00 O ATOM 742 OE2 GLU A 47 1.936 -15.991 -8.271 1.00 0.00 O ATOM 0 H GLU A 47 -3.186 -13.355 -9.713 1.00 0.00 H new ATOM 0 HA GLU A 47 -1.006 -12.676 -7.846 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.336 -14.488 -10.209 1.00 0.00 H new ATOM 0 HB3 GLU A 47 0.222 -13.705 -10.035 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -0.855 -14.949 -7.559 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -0.466 -16.067 -8.851 1.00 0.00 H new ATOM 749 N GLN A 48 -1.635 -11.324 -10.788 1.00 0.00 N ATOM 750 CA GLN A 48 -1.348 -10.163 -11.625 1.00 0.00 C ATOM 751 C GLN A 48 -2.009 -8.897 -11.083 1.00 0.00 C ATOM 752 O GLN A 48 -1.789 -7.806 -11.605 1.00 0.00 O ATOM 753 CB GLN A 48 -1.813 -10.417 -13.059 1.00 0.00 C ATOM 754 CG GLN A 48 -1.007 -11.485 -13.780 1.00 0.00 C ATOM 755 CD GLN A 48 -1.813 -12.208 -14.841 1.00 0.00 C ATOM 756 OE1 GLN A 48 -2.100 -13.398 -14.714 1.00 0.00 O ATOM 757 NE2 GLN A 48 -2.184 -11.490 -15.896 1.00 0.00 N ATOM 0 H GLN A 48 -2.379 -11.926 -11.141 1.00 0.00 H new ATOM 0 HA GLN A 48 -0.269 -10.010 -11.614 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -2.862 -10.713 -13.045 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -1.752 -9.486 -13.622 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -0.134 -11.025 -14.243 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -0.638 -12.209 -13.053 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -1.924 -10.506 -15.960 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -2.729 -11.923 -16.642 1.00 0.00 H new ATOM 766 N ALA A 49 -2.818 -9.040 -10.040 1.00 0.00 N ATOM 767 CA ALA A 49 -3.500 -7.898 -9.447 1.00 0.00 C ATOM 768 C ALA A 49 -2.497 -6.872 -8.940 1.00 0.00 C ATOM 769 O ALA A 49 -2.547 -5.702 -9.318 1.00 0.00 O ATOM 770 CB ALA A 49 -4.411 -8.355 -8.320 1.00 0.00 C ATOM 0 H ALA A 49 -3.017 -9.933 -9.589 1.00 0.00 H new ATOM 0 HA ALA A 49 -4.109 -7.424 -10.217 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -4.914 -7.491 -7.886 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -5.155 -9.049 -8.712 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -3.819 -8.853 -7.553 1.00 0.00 H new ATOM 776 N VAL A 50 -1.587 -7.317 -8.083 1.00 0.00 N ATOM 777 CA VAL A 50 -0.571 -6.434 -7.523 1.00 0.00 C ATOM 778 C VAL A 50 0.557 -6.183 -8.521 1.00 0.00 C ATOM 779 O VAL A 50 0.990 -5.047 -8.714 1.00 0.00 O ATOM 780 CB VAL A 50 0.025 -7.005 -6.212 1.00 0.00 C ATOM 781 CG1 VAL A 50 -1.063 -7.638 -5.358 1.00 0.00 C ATOM 782 CG2 VAL A 50 1.132 -8.012 -6.503 1.00 0.00 C ATOM 0 H VAL A 50 -1.531 -8.283 -7.761 1.00 0.00 H new ATOM 0 HA VAL A 50 -1.068 -5.490 -7.300 1.00 0.00 H new ATOM 0 HB VAL A 50 0.463 -6.176 -5.655 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.623 -8.033 -4.442 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -1.811 -6.887 -5.107 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -1.535 -8.449 -5.913 1.00 0.00 H new ATOM 0 HG21 VAL A 50 1.531 -8.395 -5.564 1.00 0.00 H new ATOM 0 HG22 VAL A 50 0.728 -8.837 -7.090 1.00 0.00 H new ATOM 0 HG23 VAL A 50 1.929 -7.524 -7.064 1.00 0.00 H new ATOM 792 N VAL A 51 1.039 -7.259 -9.138 1.00 0.00 N ATOM 793 CA VAL A 51 2.128 -7.173 -10.101 1.00 0.00 C ATOM 794 C VAL A 51 1.804 -6.191 -11.217 1.00 0.00 C ATOM 795 O VAL A 51 2.681 -5.472 -11.695 1.00 0.00 O ATOM 796 CB VAL A 51 2.446 -8.553 -10.712 1.00 0.00 C ATOM 797 CG1 VAL A 51 3.682 -8.481 -11.595 1.00 0.00 C ATOM 798 CG2 VAL A 51 2.625 -9.595 -9.617 1.00 0.00 C ATOM 0 H VAL A 51 0.689 -8.205 -8.985 1.00 0.00 H new ATOM 0 HA VAL A 51 3.003 -6.815 -9.558 1.00 0.00 H new ATOM 0 HB VAL A 51 1.603 -8.853 -11.335 1.00 0.00 H new ATOM 0 HG11 VAL A 51 3.887 -9.466 -12.015 1.00 0.00 H new ATOM 0 HG12 VAL A 51 3.511 -7.770 -12.403 1.00 0.00 H new ATOM 0 HG13 VAL A 51 4.535 -8.155 -11.000 1.00 0.00 H new ATOM 0 HG21 VAL A 51 2.849 -10.562 -10.068 1.00 0.00 H new ATOM 0 HG22 VAL A 51 3.447 -9.300 -8.965 1.00 0.00 H new ATOM 0 HG23 VAL A 51 1.708 -9.670 -9.033 1.00 0.00 H new ATOM 808 N ARG A 52 0.543 -6.158 -11.628 1.00 0.00 N ATOM 809 CA ARG A 52 0.127 -5.252 -12.685 1.00 0.00 C ATOM 810 C ARG A 52 -0.038 -3.838 -12.145 1.00 0.00 C ATOM 811 O ARG A 52 0.525 -2.886 -12.685 1.00 0.00 O ATOM 812 CB ARG A 52 -1.179 -5.724 -13.328 1.00 0.00 C ATOM 813 CG ARG A 52 -1.041 -7.029 -14.096 1.00 0.00 C ATOM 814 CD ARG A 52 -0.453 -6.802 -15.479 1.00 0.00 C ATOM 815 NE ARG A 52 0.985 -6.547 -15.427 1.00 0.00 N ATOM 816 CZ ARG A 52 1.679 -6.008 -16.427 1.00 0.00 C ATOM 817 NH1 ARG A 52 1.073 -5.665 -17.556 1.00 0.00 N ATOM 818 NH2 ARG A 52 2.984 -5.809 -16.295 1.00 0.00 N ATOM 0 H ARG A 52 -0.202 -6.743 -11.249 1.00 0.00 H new ATOM 0 HA ARG A 52 0.905 -5.248 -13.448 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -1.933 -5.847 -12.551 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -1.542 -4.950 -14.005 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -0.405 -7.716 -13.537 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -2.018 -7.503 -14.188 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -0.644 -7.676 -16.102 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -0.954 -5.957 -15.952 1.00 0.00 H new ATOM 0 HE ARG A 52 1.486 -6.797 -14.575 1.00 0.00 H new ATOM 0 HH11 ARG A 52 0.069 -5.814 -17.662 1.00 0.00 H new ATOM 0 HH12 ARG A 52 1.611 -5.252 -18.318 1.00 0.00 H new ATOM 0 HH21 ARG A 52 3.454 -6.069 -15.428 1.00 0.00 H new ATOM 0 HH22 ARG A 52 3.517 -5.396 -17.060 1.00 0.00 H new ATOM 832 N GLU A 53 -0.807 -3.709 -11.071 1.00 0.00 N ATOM 833 CA GLU A 53 -1.040 -2.413 -10.447 1.00 0.00 C ATOM 834 C GLU A 53 0.274 -1.799 -9.974 1.00 0.00 C ATOM 835 O GLU A 53 0.372 -0.585 -9.790 1.00 0.00 O ATOM 836 CB GLU A 53 -2.002 -2.558 -9.266 1.00 0.00 C ATOM 837 CG GLU A 53 -3.405 -2.056 -9.558 1.00 0.00 C ATOM 838 CD GLU A 53 -3.445 -0.565 -9.827 1.00 0.00 C ATOM 839 OE1 GLU A 53 -2.396 0.094 -9.669 1.00 0.00 O ATOM 840 OE2 GLU A 53 -4.524 -0.056 -10.196 1.00 0.00 O ATOM 0 H GLU A 53 -1.281 -4.488 -10.613 1.00 0.00 H new ATOM 0 HA GLU A 53 -1.486 -1.752 -11.190 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -2.054 -3.608 -8.977 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.600 -2.012 -8.412 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.805 -2.588 -10.421 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -4.053 -2.287 -8.712 1.00 0.00 H new ATOM 847 N LEU A 54 1.281 -2.645 -9.774 1.00 0.00 N ATOM 848 CA LEU A 54 2.584 -2.183 -9.317 1.00 0.00 C ATOM 849 C LEU A 54 3.192 -1.198 -10.306 1.00 0.00 C ATOM 850 O LEU A 54 3.701 -0.148 -9.918 1.00 0.00 O ATOM 851 CB LEU A 54 3.522 -3.371 -9.131 1.00 0.00 C ATOM 852 CG LEU A 54 4.197 -3.449 -7.767 1.00 0.00 C ATOM 853 CD1 LEU A 54 3.165 -3.647 -6.665 1.00 0.00 C ATOM 854 CD2 LEU A 54 5.227 -4.564 -7.759 1.00 0.00 C ATOM 0 H LEU A 54 1.218 -3.652 -9.922 1.00 0.00 H new ATOM 0 HA LEU A 54 2.448 -1.674 -8.363 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.958 -4.289 -9.294 1.00 0.00 H new ATOM 0 HB3 LEU A 54 4.293 -3.330 -9.900 1.00 0.00 H new ATOM 0 HG LEU A 54 4.709 -2.506 -7.575 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.669 -3.700 -5.700 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.468 -2.809 -6.665 1.00 0.00 H new ATOM 0 HD13 LEU A 54 2.619 -4.574 -6.840 1.00 0.00 H new ATOM 0 HD21 LEU A 54 5.704 -4.612 -6.780 1.00 0.00 H new ATOM 0 HD22 LEU A 54 4.736 -5.514 -7.970 1.00 0.00 H new ATOM 0 HD23 LEU A 54 5.981 -4.368 -8.521 1.00 0.00 H new ATOM 866 N GLN A 55 3.119 -1.532 -11.588 1.00 0.00 N ATOM 867 CA GLN A 55 3.649 -0.660 -12.623 1.00 0.00 C ATOM 868 C GLN A 55 2.849 0.634 -12.657 1.00 0.00 C ATOM 869 O GLN A 55 3.371 1.699 -12.988 1.00 0.00 O ATOM 870 CB GLN A 55 3.598 -1.351 -13.986 1.00 0.00 C ATOM 871 CG GLN A 55 4.142 -0.498 -15.120 1.00 0.00 C ATOM 872 CD GLN A 55 3.332 -0.638 -16.395 1.00 0.00 C ATOM 873 OE1 GLN A 55 3.878 -0.907 -17.464 1.00 0.00 O ATOM 874 NE2 GLN A 55 2.021 -0.455 -16.287 1.00 0.00 N ATOM 0 H GLN A 55 2.700 -2.396 -11.933 1.00 0.00 H new ATOM 0 HA GLN A 55 4.691 -0.433 -12.396 1.00 0.00 H new ATOM 0 HB2 GLN A 55 4.167 -2.279 -13.935 1.00 0.00 H new ATOM 0 HB3 GLN A 55 2.566 -1.622 -14.209 1.00 0.00 H new ATOM 0 HG2 GLN A 55 4.150 0.548 -14.812 1.00 0.00 H new ATOM 0 HG3 GLN A 55 5.176 -0.780 -15.318 1.00 0.00 H new ATOM 0 HE21 GLN A 55 1.610 -0.233 -15.380 1.00 0.00 H new ATOM 0 HE22 GLN A 55 1.425 -0.536 -17.111 1.00 0.00 H new ATOM 883 N GLU A 56 1.573 0.523 -12.302 1.00 0.00 N ATOM 884 CA GLU A 56 0.678 1.668 -12.276 1.00 0.00 C ATOM 885 C GLU A 56 0.910 2.525 -11.045 1.00 0.00 C ATOM 886 O GLU A 56 0.633 3.722 -11.060 1.00 0.00 O ATOM 887 CB GLU A 56 -0.775 1.200 -12.282 1.00 0.00 C ATOM 888 CG GLU A 56 -1.766 2.286 -12.666 1.00 0.00 C ATOM 889 CD GLU A 56 -2.955 2.349 -11.726 1.00 0.00 C ATOM 890 OE1 GLU A 56 -2.742 2.334 -10.494 1.00 0.00 O ATOM 891 OE2 GLU A 56 -4.101 2.413 -12.222 1.00 0.00 O ATOM 0 H GLU A 56 1.136 -0.356 -12.027 1.00 0.00 H new ATOM 0 HA GLU A 56 0.884 2.264 -13.165 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -0.876 0.366 -12.977 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -1.030 0.822 -11.292 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -1.259 3.251 -12.670 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -2.119 2.108 -13.682 1.00 0.00 H new ATOM 898 N GLU A 57 1.385 1.910 -9.963 1.00 0.00 N ATOM 899 CA GLU A 57 1.605 2.649 -8.729 1.00 0.00 C ATOM 900 C GLU A 57 3.087 2.855 -8.411 1.00 0.00 C ATOM 901 O GLU A 57 3.431 3.354 -7.339 1.00 0.00 O ATOM 902 CB GLU A 57 0.895 1.977 -7.557 1.00 0.00 C ATOM 903 CG GLU A 57 -0.072 2.909 -6.839 1.00 0.00 C ATOM 904 CD GLU A 57 -1.511 2.435 -6.912 1.00 0.00 C ATOM 905 OE1 GLU A 57 -1.810 1.570 -7.761 1.00 0.00 O ATOM 906 OE2 GLU A 57 -2.339 2.931 -6.119 1.00 0.00 O ATOM 0 H GLU A 57 1.620 0.919 -9.918 1.00 0.00 H new ATOM 0 HA GLU A 57 1.176 3.639 -8.884 1.00 0.00 H new ATOM 0 HB2 GLU A 57 0.350 1.105 -7.920 1.00 0.00 H new ATOM 0 HB3 GLU A 57 1.639 1.615 -6.847 1.00 0.00 H new ATOM 0 HG2 GLU A 57 0.224 2.997 -5.794 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -0.000 3.905 -7.275 1.00 0.00 H new ATOM 913 N VAL A 58 3.963 2.479 -9.337 1.00 0.00 N ATOM 914 CA VAL A 58 5.401 2.640 -9.129 1.00 0.00 C ATOM 915 C VAL A 58 6.054 3.254 -10.361 1.00 0.00 C ATOM 916 O VAL A 58 6.861 4.178 -10.258 1.00 0.00 O ATOM 917 CB VAL A 58 6.083 1.289 -8.813 1.00 0.00 C ATOM 918 CG1 VAL A 58 7.507 1.506 -8.327 1.00 0.00 C ATOM 919 CG2 VAL A 58 5.282 0.498 -7.786 1.00 0.00 C ATOM 0 H VAL A 58 3.707 2.064 -10.233 1.00 0.00 H new ATOM 0 HA VAL A 58 5.531 3.305 -8.275 1.00 0.00 H new ATOM 0 HB VAL A 58 6.118 0.708 -9.735 1.00 0.00 H new ATOM 0 HG11 VAL A 58 7.968 0.542 -8.110 1.00 0.00 H new ATOM 0 HG12 VAL A 58 8.081 2.018 -9.099 1.00 0.00 H new ATOM 0 HG13 VAL A 58 7.494 2.114 -7.422 1.00 0.00 H new ATOM 0 HG21 VAL A 58 5.785 -0.448 -7.583 1.00 0.00 H new ATOM 0 HG22 VAL A 58 5.204 1.073 -6.864 1.00 0.00 H new ATOM 0 HG23 VAL A 58 4.283 0.302 -8.176 1.00 0.00 H new ATOM 929 N GLY A 59 5.670 2.751 -11.528 1.00 0.00 N ATOM 930 CA GLY A 59 6.191 3.265 -12.780 1.00 0.00 C ATOM 931 C GLY A 59 7.710 3.275 -12.883 1.00 0.00 C ATOM 932 O GLY A 59 8.260 3.909 -13.784 1.00 0.00 O ATOM 0 H GLY A 59 5.000 1.988 -11.629 1.00 0.00 H new ATOM 0 HA2 GLY A 59 5.789 2.666 -13.598 1.00 0.00 H new ATOM 0 HA3 GLY A 59 5.825 4.282 -12.920 1.00 0.00 H new ATOM 936 N ILE A 60 8.402 2.577 -11.985 1.00 0.00 N ATOM 937 CA ILE A 60 9.856 2.530 -12.027 1.00 0.00 C ATOM 938 C ILE A 60 10.352 1.086 -12.024 1.00 0.00 C ATOM 939 O ILE A 60 9.576 0.153 -12.226 1.00 0.00 O ATOM 940 CB ILE A 60 10.510 3.283 -10.843 1.00 0.00 C ATOM 941 CG1 ILE A 60 9.489 3.688 -9.779 1.00 0.00 C ATOM 942 CG2 ILE A 60 11.268 4.503 -11.341 1.00 0.00 C ATOM 943 CD1 ILE A 60 10.063 3.662 -8.379 1.00 0.00 C ATOM 0 H ILE A 60 7.981 2.041 -11.226 1.00 0.00 H new ATOM 0 HA ILE A 60 10.149 3.027 -12.952 1.00 0.00 H new ATOM 0 HB ILE A 60 11.211 2.594 -10.373 1.00 0.00 H new ATOM 0 HG12 ILE A 60 9.121 4.690 -9.998 1.00 0.00 H new ATOM 0 HG13 ILE A 60 8.632 3.016 -9.829 1.00 0.00 H new ATOM 0 HG21 ILE A 60 11.721 5.020 -10.495 1.00 0.00 H new ATOM 0 HG22 ILE A 60 12.048 4.189 -12.034 1.00 0.00 H new ATOM 0 HG23 ILE A 60 10.579 5.176 -11.851 1.00 0.00 H new ATOM 0 HD11 ILE A 60 9.294 3.958 -7.665 1.00 0.00 H new ATOM 0 HD12 ILE A 60 10.407 2.654 -8.145 1.00 0.00 H new ATOM 0 HD13 ILE A 60 10.902 4.355 -8.317 1.00 0.00 H new ATOM 955 N THR A 61 11.654 0.916 -11.800 1.00 0.00 N ATOM 956 CA THR A 61 12.275 -0.397 -11.768 1.00 0.00 C ATOM 957 C THR A 61 12.725 -0.742 -10.351 1.00 0.00 C ATOM 958 O THR A 61 13.843 -0.423 -9.950 1.00 0.00 O ATOM 959 CB THR A 61 13.469 -0.410 -12.722 1.00 0.00 C ATOM 960 OG1 THR A 61 14.596 -1.045 -12.144 1.00 0.00 O ATOM 961 CG2 THR A 61 13.901 0.971 -13.182 1.00 0.00 C ATOM 0 H THR A 61 12.303 1.686 -11.636 1.00 0.00 H new ATOM 0 HA THR A 61 11.549 -1.146 -12.084 1.00 0.00 H new ATOM 0 HB THR A 61 13.114 -0.968 -13.588 1.00 0.00 H new ATOM 0 HG1 THR A 61 14.917 -0.514 -11.385 1.00 0.00 H new ATOM 0 HG21 THR A 61 14.753 0.880 -13.856 1.00 0.00 H new ATOM 0 HG22 THR A 61 13.076 1.455 -13.704 1.00 0.00 H new ATOM 0 HG23 THR A 61 14.185 1.570 -12.317 1.00 0.00 H new ATOM 969 N PRO A 62 11.838 -1.353 -9.552 1.00 0.00 N ATOM 970 CA PRO A 62 12.100 -1.690 -8.176 1.00 0.00 C ATOM 971 C PRO A 62 12.155 -3.179 -7.895 1.00 0.00 C ATOM 972 O PRO A 62 11.284 -3.926 -8.341 1.00 0.00 O ATOM 973 CB PRO A 62 10.830 -1.119 -7.548 1.00 0.00 C ATOM 974 CG PRO A 62 9.753 -1.431 -8.552 1.00 0.00 C ATOM 975 CD PRO A 62 10.453 -1.700 -9.871 1.00 0.00 C ATOM 0 HA PRO A 62 13.063 -1.321 -7.823 1.00 0.00 H new ATOM 0 HB2 PRO A 62 10.621 -1.580 -6.583 1.00 0.00 H new ATOM 0 HB3 PRO A 62 10.917 -0.046 -7.377 1.00 0.00 H new ATOM 0 HG2 PRO A 62 9.171 -2.298 -8.239 1.00 0.00 H new ATOM 0 HG3 PRO A 62 9.058 -0.597 -8.646 1.00 0.00 H new ATOM 0 HD2 PRO A 62 10.353 -2.740 -10.182 1.00 0.00 H new ATOM 0 HD3 PRO A 62 10.053 -1.086 -10.678 1.00 0.00 H new ATOM 983 N GLN A 63 13.122 -3.606 -7.081 1.00 0.00 N ATOM 984 CA GLN A 63 13.161 -5.001 -6.694 1.00 0.00 C ATOM 985 C GLN A 63 12.044 -5.153 -5.683 1.00 0.00 C ATOM 986 O GLN A 63 12.251 -5.114 -4.471 1.00 0.00 O ATOM 987 CB GLN A 63 14.510 -5.388 -6.084 1.00 0.00 C ATOM 988 CG GLN A 63 15.700 -4.809 -6.831 1.00 0.00 C ATOM 989 CD GLN A 63 17.012 -5.039 -6.105 1.00 0.00 C ATOM 990 OE1 GLN A 63 17.081 -5.827 -5.162 1.00 0.00 O ATOM 991 NE2 GLN A 63 18.059 -4.351 -6.542 1.00 0.00 N ATOM 0 H GLN A 63 13.862 -3.022 -6.692 1.00 0.00 H new ATOM 0 HA GLN A 63 13.035 -5.658 -7.555 1.00 0.00 H new ATOM 0 HB2 GLN A 63 14.542 -5.050 -5.048 1.00 0.00 H new ATOM 0 HB3 GLN A 63 14.595 -6.475 -6.068 1.00 0.00 H new ATOM 0 HG2 GLN A 63 15.755 -5.257 -7.823 1.00 0.00 H new ATOM 0 HG3 GLN A 63 15.550 -3.739 -6.972 1.00 0.00 H new ATOM 0 HE21 GLN A 63 17.955 -3.709 -7.327 1.00 0.00 H new ATOM 0 HE22 GLN A 63 18.968 -4.465 -6.093 1.00 0.00 H new ATOM 1000 N HIS A 64 10.848 -5.251 -6.229 1.00 0.00 N ATOM 1001 CA HIS A 64 9.628 -5.325 -5.456 1.00 0.00 C ATOM 1002 C HIS A 64 8.932 -6.641 -5.719 1.00 0.00 C ATOM 1003 O HIS A 64 8.764 -7.037 -6.874 1.00 0.00 O ATOM 1004 CB HIS A 64 8.758 -4.139 -5.885 1.00 0.00 C ATOM 1005 CG HIS A 64 7.343 -4.139 -5.376 1.00 0.00 C ATOM 1006 ND1 HIS A 64 6.636 -2.975 -5.151 1.00 0.00 N ATOM 1007 CD2 HIS A 64 6.492 -5.153 -5.070 1.00 0.00 C ATOM 1008 CE1 HIS A 64 5.421 -3.272 -4.730 1.00 0.00 C ATOM 1009 NE2 HIS A 64 5.307 -4.583 -4.672 1.00 0.00 N ATOM 0 H HIS A 64 10.696 -5.282 -7.237 1.00 0.00 H new ATOM 0 HA HIS A 64 9.828 -5.276 -4.386 1.00 0.00 H new ATOM 0 HB2 HIS A 64 9.242 -3.220 -5.553 1.00 0.00 H new ATOM 0 HB3 HIS A 64 8.731 -4.109 -6.974 1.00 0.00 H new ATOM 0 HD2 HIS A 64 6.707 -6.210 -5.129 1.00 0.00 H new ATOM 0 HE1 HIS A 64 4.650 -2.560 -4.476 1.00 0.00 H new ATOM 0 HE2 HIS A 64 4.474 -5.093 -4.379 1.00 0.00 H new ATOM 1018 N PHE A 65 8.544 -7.342 -4.659 1.00 0.00 N ATOM 1019 CA PHE A 65 7.898 -8.625 -4.841 1.00 0.00 C ATOM 1020 C PHE A 65 7.441 -9.255 -3.536 1.00 0.00 C ATOM 1021 O PHE A 65 6.272 -9.608 -3.377 1.00 0.00 O ATOM 1022 CB PHE A 65 8.879 -9.553 -5.528 1.00 0.00 C ATOM 1023 CG PHE A 65 8.231 -10.554 -6.441 1.00 0.00 C ATOM 1024 CD1 PHE A 65 7.443 -10.128 -7.499 1.00 0.00 C ATOM 1025 CD2 PHE A 65 8.407 -11.914 -6.246 1.00 0.00 C ATOM 1026 CE1 PHE A 65 6.842 -11.041 -8.345 1.00 0.00 C ATOM 1027 CE2 PHE A 65 7.808 -12.832 -7.089 1.00 0.00 C ATOM 1028 CZ PHE A 65 7.024 -12.394 -8.141 1.00 0.00 C ATOM 0 H PHE A 65 8.664 -7.048 -3.690 1.00 0.00 H new ATOM 0 HA PHE A 65 7.002 -8.466 -5.441 1.00 0.00 H new ATOM 0 HB2 PHE A 65 9.587 -8.956 -6.103 1.00 0.00 H new ATOM 0 HB3 PHE A 65 9.453 -10.085 -4.770 1.00 0.00 H new ATOM 0 HD1 PHE A 65 7.297 -9.071 -7.664 1.00 0.00 H new ATOM 0 HD2 PHE A 65 9.019 -12.261 -5.427 1.00 0.00 H new ATOM 0 HE1 PHE A 65 6.230 -10.696 -9.165 1.00 0.00 H new ATOM 0 HE2 PHE A 65 7.952 -13.890 -6.926 1.00 0.00 H new ATOM 0 HZ PHE A 65 6.555 -13.109 -8.801 1.00 0.00 H new ATOM 1038 N SER A 66 8.389 -9.419 -2.631 1.00 0.00 N ATOM 1039 CA SER A 66 8.148 -10.037 -1.324 1.00 0.00 C ATOM 1040 C SER A 66 6.753 -9.725 -0.792 1.00 0.00 C ATOM 1041 O SER A 66 6.137 -8.738 -1.188 1.00 0.00 O ATOM 1042 CB SER A 66 9.203 -9.569 -0.319 1.00 0.00 C ATOM 1043 OG SER A 66 10.486 -10.068 -0.656 1.00 0.00 O ATOM 0 H SER A 66 9.356 -9.128 -2.776 1.00 0.00 H new ATOM 0 HA SER A 66 8.218 -11.117 -1.456 1.00 0.00 H new ATOM 0 HB2 SER A 66 9.228 -8.480 -0.294 1.00 0.00 H new ATOM 0 HB3 SER A 66 8.930 -9.904 0.682 1.00 0.00 H new ATOM 0 HG SER A 66 11.142 -9.753 0.000 1.00 0.00 H new ATOM 1049 N LEU A 67 6.258 -10.574 0.105 1.00 0.00 N ATOM 1050 CA LEU A 67 4.935 -10.381 0.687 1.00 0.00 C ATOM 1051 C LEU A 67 5.028 -10.169 2.194 1.00 0.00 C ATOM 1052 O LEU A 67 5.567 -11.006 2.918 1.00 0.00 O ATOM 1053 CB LEU A 67 4.035 -11.582 0.387 1.00 0.00 C ATOM 1054 CG LEU A 67 2.663 -11.542 1.067 1.00 0.00 C ATOM 1055 CD1 LEU A 67 1.584 -12.067 0.135 1.00 0.00 C ATOM 1056 CD2 LEU A 67 2.688 -12.339 2.362 1.00 0.00 C ATOM 0 H LEU A 67 6.752 -11.400 0.443 1.00 0.00 H new ATOM 0 HA LEU A 67 4.499 -9.489 0.236 1.00 0.00 H new ATOM 0 HB2 LEU A 67 3.889 -11.648 -0.691 1.00 0.00 H new ATOM 0 HB3 LEU A 67 4.551 -12.491 0.695 1.00 0.00 H new ATOM 0 HG LEU A 67 2.429 -10.504 1.305 1.00 0.00 H new ATOM 0 HD11 LEU A 67 0.618 -12.029 0.639 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.549 -11.452 -0.764 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.810 -13.097 -0.139 1.00 0.00 H new ATOM 0 HD21 LEU A 67 1.705 -12.300 2.832 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.946 -13.376 2.146 1.00 0.00 H new ATOM 0 HD23 LEU A 67 3.430 -11.913 3.037 1.00 0.00 H new ATOM 1068 N PHE A 68 4.494 -9.045 2.661 1.00 0.00 N ATOM 1069 CA PHE A 68 4.509 -8.721 4.082 1.00 0.00 C ATOM 1070 C PHE A 68 3.359 -9.427 4.798 1.00 0.00 C ATOM 1071 O PHE A 68 3.570 -10.173 5.754 1.00 0.00 O ATOM 1072 CB PHE A 68 4.419 -7.197 4.269 1.00 0.00 C ATOM 1073 CG PHE A 68 3.650 -6.755 5.487 1.00 0.00 C ATOM 1074 CD1 PHE A 68 2.268 -6.650 5.451 1.00 0.00 C ATOM 1075 CD2 PHE A 68 4.310 -6.441 6.664 1.00 0.00 C ATOM 1076 CE1 PHE A 68 1.560 -6.241 6.561 1.00 0.00 C ATOM 1077 CE2 PHE A 68 3.606 -6.032 7.781 1.00 0.00 C ATOM 1078 CZ PHE A 68 2.228 -5.930 7.728 1.00 0.00 C ATOM 0 H PHE A 68 4.045 -8.342 2.074 1.00 0.00 H new ATOM 0 HA PHE A 68 5.444 -9.070 4.520 1.00 0.00 H new ATOM 0 HB2 PHE A 68 5.429 -6.792 4.327 1.00 0.00 H new ATOM 0 HB3 PHE A 68 3.952 -6.763 3.385 1.00 0.00 H new ATOM 0 HD1 PHE A 68 1.739 -6.892 4.541 1.00 0.00 H new ATOM 0 HD2 PHE A 68 5.386 -6.517 6.709 1.00 0.00 H new ATOM 0 HE1 PHE A 68 0.484 -6.164 6.517 1.00 0.00 H new ATOM 0 HE2 PHE A 68 4.131 -5.792 8.694 1.00 0.00 H new ATOM 0 HZ PHE A 68 1.676 -5.608 8.598 1.00 0.00 H new ATOM 1088 N GLU A 69 2.145 -9.181 4.322 1.00 0.00 N ATOM 1089 CA GLU A 69 0.954 -9.785 4.904 1.00 0.00 C ATOM 1090 C GLU A 69 -0.266 -9.494 4.040 1.00 0.00 C ATOM 1091 O GLU A 69 -0.265 -8.551 3.251 1.00 0.00 O ATOM 1092 CB GLU A 69 0.728 -9.258 6.323 1.00 0.00 C ATOM 1093 CG GLU A 69 0.144 -10.292 7.270 1.00 0.00 C ATOM 1094 CD GLU A 69 0.401 -9.960 8.727 1.00 0.00 C ATOM 1095 OE1 GLU A 69 -0.411 -9.216 9.318 1.00 0.00 O ATOM 1096 OE2 GLU A 69 1.415 -10.441 9.276 1.00 0.00 O ATOM 0 H GLU A 69 1.959 -8.565 3.531 1.00 0.00 H new ATOM 0 HA GLU A 69 1.103 -10.864 4.949 1.00 0.00 H new ATOM 0 HB2 GLU A 69 1.677 -8.904 6.726 1.00 0.00 H new ATOM 0 HB3 GLU A 69 0.059 -8.398 6.280 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -0.930 -10.367 7.102 1.00 0.00 H new ATOM 0 HG3 GLU A 69 0.571 -11.269 7.043 1.00 0.00 H new ATOM 1103 N LYS A 70 -1.305 -10.301 4.191 1.00 0.00 N ATOM 1104 CA LYS A 70 -2.528 -10.115 3.420 1.00 0.00 C ATOM 1105 C LYS A 70 -3.755 -10.437 4.269 1.00 0.00 C ATOM 1106 O LYS A 70 -4.017 -11.599 4.582 1.00 0.00 O ATOM 1107 CB LYS A 70 -2.510 -11.001 2.173 1.00 0.00 C ATOM 1108 CG LYS A 70 -2.119 -12.443 2.456 1.00 0.00 C ATOM 1109 CD LYS A 70 -3.327 -13.366 2.419 1.00 0.00 C ATOM 1110 CE LYS A 70 -3.164 -14.536 3.376 1.00 0.00 C ATOM 1111 NZ LYS A 70 -2.803 -14.086 4.748 1.00 0.00 N ATOM 0 H LYS A 70 -1.328 -11.089 4.838 1.00 0.00 H new ATOM 0 HA LYS A 70 -2.581 -9.071 3.113 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -3.498 -10.985 1.712 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -1.813 -10.580 1.448 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -1.385 -12.773 1.721 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -1.641 -12.506 3.434 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -4.224 -12.804 2.679 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -3.469 -13.741 1.405 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -4.092 -15.106 3.414 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -2.392 -15.208 3.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -3.329 -14.648 5.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -1.782 -14.215 4.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -3.045 -13.081 4.859 1.00 0.00 H new ATOM 1125 N LEU A 71 -4.502 -9.404 4.643 1.00 0.00 N ATOM 1126 CA LEU A 71 -5.696 -9.575 5.456 1.00 0.00 C ATOM 1127 C LEU A 71 -6.946 -9.610 4.578 1.00 0.00 C ATOM 1128 O LEU A 71 -7.013 -8.939 3.548 1.00 0.00 O ATOM 1129 CB LEU A 71 -5.789 -8.440 6.483 1.00 0.00 C ATOM 1130 CG LEU A 71 -7.206 -8.038 6.892 1.00 0.00 C ATOM 1131 CD1 LEU A 71 -7.244 -7.612 8.352 1.00 0.00 C ATOM 1132 CD2 LEU A 71 -7.722 -6.924 5.994 1.00 0.00 C ATOM 0 H LEU A 71 -4.299 -8.436 4.394 1.00 0.00 H new ATOM 0 HA LEU A 71 -5.630 -10.526 5.984 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -5.242 -8.737 7.378 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -5.284 -7.563 6.077 1.00 0.00 H new ATOM 0 HG LEU A 71 -7.857 -8.905 6.774 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -8.262 -7.330 8.622 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -6.918 -8.440 8.981 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -6.580 -6.760 8.500 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -8.732 -6.650 6.299 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -7.069 -6.056 6.079 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -7.736 -7.267 4.960 1.00 0.00 H new ATOM 1144 N GLU A 72 -7.934 -10.398 4.993 1.00 0.00 N ATOM 1145 CA GLU A 72 -9.179 -10.522 4.249 1.00 0.00 C ATOM 1146 C GLU A 72 -10.377 -10.549 5.198 1.00 0.00 C ATOM 1147 O GLU A 72 -10.586 -11.522 5.923 1.00 0.00 O ATOM 1148 CB GLU A 72 -9.146 -11.790 3.387 1.00 0.00 C ATOM 1149 CG GLU A 72 -10.520 -12.335 3.030 1.00 0.00 C ATOM 1150 CD GLU A 72 -10.486 -13.269 1.837 1.00 0.00 C ATOM 1151 OE1 GLU A 72 -10.094 -14.442 2.011 1.00 0.00 O ATOM 1152 OE2 GLU A 72 -10.853 -12.828 0.726 1.00 0.00 O ATOM 0 H GLU A 72 -7.894 -10.961 5.843 1.00 0.00 H new ATOM 0 HA GLU A 72 -9.285 -9.654 3.598 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -8.601 -11.577 2.467 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -8.587 -12.562 3.917 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -10.931 -12.865 3.889 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -11.192 -11.504 2.817 1.00 0.00 H new ATOM 1159 N TYR A 73 -11.162 -9.476 5.183 1.00 0.00 N ATOM 1160 CA TYR A 73 -12.341 -9.378 6.037 1.00 0.00 C ATOM 1161 C TYR A 73 -13.492 -8.706 5.292 1.00 0.00 C ATOM 1162 O TYR A 73 -13.269 -7.909 4.380 1.00 0.00 O ATOM 1163 CB TYR A 73 -12.014 -8.601 7.315 1.00 0.00 C ATOM 1164 CG TYR A 73 -11.808 -7.117 7.096 1.00 0.00 C ATOM 1165 CD1 TYR A 73 -10.804 -6.651 6.259 1.00 0.00 C ATOM 1166 CD2 TYR A 73 -12.620 -6.184 7.730 1.00 0.00 C ATOM 1167 CE1 TYR A 73 -10.614 -5.297 6.057 1.00 0.00 C ATOM 1168 CE2 TYR A 73 -12.437 -4.830 7.533 1.00 0.00 C ATOM 1169 CZ TYR A 73 -11.433 -4.391 6.696 1.00 0.00 C ATOM 1170 OH TYR A 73 -11.248 -3.041 6.498 1.00 0.00 O ATOM 0 H TYR A 73 -11.003 -8.662 4.589 1.00 0.00 H new ATOM 0 HA TYR A 73 -12.648 -10.387 6.310 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -12.823 -8.744 8.032 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -11.113 -9.021 7.763 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -10.160 -7.358 5.757 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -13.407 -6.524 8.387 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -9.828 -4.951 5.402 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -13.077 -4.118 8.032 1.00 0.00 H new ATOM 0 HH TYR A 73 -11.071 -2.605 7.358 1.00 0.00 H new ATOM 1180 N GLU A 74 -14.720 -9.027 5.685 1.00 0.00 N ATOM 1181 CA GLU A 74 -15.895 -8.444 5.046 1.00 0.00 C ATOM 1182 C GLU A 74 -16.759 -7.697 6.055 1.00 0.00 C ATOM 1183 O GLU A 74 -17.044 -8.197 7.143 1.00 0.00 O ATOM 1184 CB GLU A 74 -16.727 -9.522 4.347 1.00 0.00 C ATOM 1185 CG GLU A 74 -16.866 -10.805 5.147 1.00 0.00 C ATOM 1186 CD GLU A 74 -17.253 -11.991 4.285 1.00 0.00 C ATOM 1187 OE1 GLU A 74 -16.488 -12.324 3.355 1.00 0.00 O ATOM 1188 OE2 GLU A 74 -18.321 -12.586 4.539 1.00 0.00 O ATOM 0 H GLU A 74 -14.927 -9.683 6.438 1.00 0.00 H new ATOM 0 HA GLU A 74 -15.541 -7.732 4.300 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -17.721 -9.124 4.141 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -16.270 -9.753 3.385 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -15.923 -11.019 5.650 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -17.618 -10.665 5.924 1.00 0.00 H new ATOM 1195 N PHE A 75 -17.172 -6.496 5.675 1.00 0.00 N ATOM 1196 CA PHE A 75 -18.006 -5.659 6.518 1.00 0.00 C ATOM 1197 C PHE A 75 -19.475 -5.810 6.126 1.00 0.00 C ATOM 1198 O PHE A 75 -19.784 -6.302 5.042 1.00 0.00 O ATOM 1199 CB PHE A 75 -17.572 -4.199 6.390 1.00 0.00 C ATOM 1200 CG PHE A 75 -16.686 -3.714 7.507 1.00 0.00 C ATOM 1201 CD1 PHE A 75 -16.873 -4.150 8.813 1.00 0.00 C ATOM 1202 CD2 PHE A 75 -15.663 -2.817 7.248 1.00 0.00 C ATOM 1203 CE1 PHE A 75 -16.056 -3.698 9.832 1.00 0.00 C ATOM 1204 CE2 PHE A 75 -14.843 -2.363 8.263 1.00 0.00 C ATOM 1205 CZ PHE A 75 -15.040 -2.805 9.557 1.00 0.00 C ATOM 0 H PHE A 75 -16.938 -6.077 4.775 1.00 0.00 H new ATOM 0 HA PHE A 75 -17.890 -5.974 7.555 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -17.047 -4.070 5.444 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -18.461 -3.570 6.349 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -17.665 -4.850 9.034 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -15.504 -2.468 6.239 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -16.212 -4.043 10.843 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -14.049 -1.664 8.045 1.00 0.00 H new ATOM 0 HZ PHE A 75 -14.400 -2.452 10.352 1.00 0.00 H new ATOM 1215 N PRO A 76 -20.402 -5.389 7.005 1.00 0.00 N ATOM 1216 CA PRO A 76 -21.841 -5.480 6.746 1.00 0.00 C ATOM 1217 C PRO A 76 -22.235 -4.799 5.440 1.00 0.00 C ATOM 1218 O PRO A 76 -22.688 -3.655 5.435 1.00 0.00 O ATOM 1219 CB PRO A 76 -22.483 -4.762 7.942 1.00 0.00 C ATOM 1220 CG PRO A 76 -21.373 -4.011 8.597 1.00 0.00 C ATOM 1221 CD PRO A 76 -20.122 -4.786 8.310 1.00 0.00 C ATOM 0 HA PRO A 76 -22.165 -6.515 6.641 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -23.275 -4.087 7.616 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -22.935 -5.475 8.631 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -21.303 -2.997 8.203 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -21.541 -3.925 9.671 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -19.245 -4.139 8.276 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -19.932 -5.542 9.072 1.00 0.00 H new ATOM 1229 N ASP A 77 -22.051 -5.526 4.339 1.00 0.00 N ATOM 1230 CA ASP A 77 -22.374 -5.040 2.991 1.00 0.00 C ATOM 1231 C ASP A 77 -21.143 -4.467 2.288 1.00 0.00 C ATOM 1232 O ASP A 77 -21.251 -3.914 1.194 1.00 0.00 O ATOM 1233 CB ASP A 77 -23.488 -3.987 3.028 1.00 0.00 C ATOM 1234 CG ASP A 77 -24.288 -3.946 1.740 1.00 0.00 C ATOM 1235 OD1 ASP A 77 -25.114 -4.858 1.525 1.00 0.00 O ATOM 1236 OD2 ASP A 77 -24.087 -3.002 0.947 1.00 0.00 O ATOM 0 H ASP A 77 -21.672 -6.473 4.353 1.00 0.00 H new ATOM 0 HA ASP A 77 -22.726 -5.901 2.423 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -24.157 -4.199 3.862 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -23.051 -3.006 3.212 1.00 0.00 H new ATOM 1241 N ARG A 78 -19.974 -4.607 2.909 1.00 0.00 N ATOM 1242 CA ARG A 78 -18.737 -4.104 2.320 1.00 0.00 C ATOM 1243 C ARG A 78 -17.604 -5.113 2.488 1.00 0.00 C ATOM 1244 O ARG A 78 -16.920 -5.124 3.510 1.00 0.00 O ATOM 1245 CB ARG A 78 -18.345 -2.767 2.957 1.00 0.00 C ATOM 1246 CG ARG A 78 -17.689 -1.800 1.982 1.00 0.00 C ATOM 1247 CD ARG A 78 -17.488 -0.422 2.600 1.00 0.00 C ATOM 1248 NE ARG A 78 -16.631 -0.461 3.788 1.00 0.00 N ATOM 1249 CZ ARG A 78 -15.851 0.550 4.178 1.00 0.00 C ATOM 1250 NH1 ARG A 78 -15.806 1.676 3.475 1.00 0.00 N ATOM 1251 NH2 ARG A 78 -15.115 0.440 5.279 1.00 0.00 N ATOM 0 H ARG A 78 -19.858 -5.062 3.815 1.00 0.00 H new ATOM 0 HA ARG A 78 -18.910 -3.952 1.255 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -19.235 -2.299 3.377 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -17.662 -2.955 3.786 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -16.726 -2.200 1.666 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -18.306 -1.711 1.088 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -17.047 0.244 1.859 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -18.458 -0.003 2.869 1.00 0.00 H new ATOM 0 HE ARG A 78 -16.630 -1.312 4.351 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -16.370 1.773 2.631 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -15.208 2.444 3.780 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -15.145 -0.419 5.829 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -14.520 1.214 5.574 1.00 0.00 H new ATOM 1265 N HIS A 79 -17.402 -5.955 1.477 1.00 0.00 N ATOM 1266 CA HIS A 79 -16.345 -6.958 1.523 1.00 0.00 C ATOM 1267 C HIS A 79 -15.044 -6.387 0.974 1.00 0.00 C ATOM 1268 O HIS A 79 -14.890 -6.218 -0.235 1.00 0.00 O ATOM 1269 CB HIS A 79 -16.750 -8.204 0.731 1.00 0.00 C ATOM 1270 CG HIS A 79 -15.860 -9.383 0.973 1.00 0.00 C ATOM 1271 ND1 HIS A 79 -14.697 -9.310 1.712 1.00 0.00 N ATOM 1272 CD2 HIS A 79 -15.966 -10.672 0.570 1.00 0.00 C ATOM 1273 CE1 HIS A 79 -14.128 -10.502 1.751 1.00 0.00 C ATOM 1274 NE2 HIS A 79 -14.878 -11.345 1.067 1.00 0.00 N ATOM 0 H HIS A 79 -17.955 -5.962 0.620 1.00 0.00 H new ATOM 0 HA HIS A 79 -16.190 -7.243 2.564 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -17.774 -8.473 0.991 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -16.743 -7.966 -0.333 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -16.759 -11.092 -0.031 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -13.205 -10.745 2.257 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -14.681 -12.336 0.930 1.00 0.00 H new ATOM 1283 N ILE A 80 -14.115 -6.077 1.871 1.00 0.00 N ATOM 1284 CA ILE A 80 -12.835 -5.510 1.483 1.00 0.00 C ATOM 1285 C ILE A 80 -11.699 -6.505 1.702 1.00 0.00 C ATOM 1286 O ILE A 80 -11.564 -7.086 2.779 1.00 0.00 O ATOM 1287 CB ILE A 80 -12.542 -4.218 2.282 1.00 0.00 C ATOM 1288 CG1 ILE A 80 -11.073 -3.816 2.148 1.00 0.00 C ATOM 1289 CG2 ILE A 80 -12.900 -4.415 3.747 1.00 0.00 C ATOM 1290 CD1 ILE A 80 -10.708 -2.578 2.940 1.00 0.00 C ATOM 0 H ILE A 80 -14.228 -6.211 2.876 1.00 0.00 H new ATOM 0 HA ILE A 80 -12.895 -5.273 0.421 1.00 0.00 H new ATOM 0 HB ILE A 80 -13.155 -3.416 1.871 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -10.447 -4.645 2.477 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -10.847 -3.644 1.096 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -12.690 -3.499 4.299 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -13.960 -4.655 3.833 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -12.308 -5.232 4.160 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -9.651 -2.353 2.797 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -11.308 -1.736 2.596 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -10.902 -2.753 3.998 1.00 0.00 H new ATOM 1302 N THR A 81 -10.872 -6.671 0.680 1.00 0.00 N ATOM 1303 CA THR A 81 -9.725 -7.565 0.758 1.00 0.00 C ATOM 1304 C THR A 81 -8.446 -6.737 0.796 1.00 0.00 C ATOM 1305 O THR A 81 -8.166 -5.980 -0.130 1.00 0.00 O ATOM 1306 CB THR A 81 -9.706 -8.519 -0.441 1.00 0.00 C ATOM 1307 OG1 THR A 81 -10.756 -8.216 -1.343 1.00 0.00 O ATOM 1308 CG2 THR A 81 -9.847 -9.973 -0.054 1.00 0.00 C ATOM 0 H THR A 81 -10.974 -6.196 -0.217 1.00 0.00 H new ATOM 0 HA THR A 81 -9.797 -8.164 1.666 1.00 0.00 H new ATOM 0 HB THR A 81 -8.730 -8.374 -0.904 1.00 0.00 H new ATOM 0 HG1 THR A 81 -10.931 -8.993 -1.914 1.00 0.00 H new ATOM 0 HG21 THR A 81 -9.826 -10.592 -0.951 1.00 0.00 H new ATOM 0 HG22 THR A 81 -9.024 -10.256 0.602 1.00 0.00 H new ATOM 0 HG23 THR A 81 -10.793 -10.121 0.466 1.00 0.00 H new ATOM 1316 N LEU A 82 -7.683 -6.857 1.875 1.00 0.00 N ATOM 1317 CA LEU A 82 -6.455 -6.083 2.010 1.00 0.00 C ATOM 1318 C LEU A 82 -5.214 -6.958 1.870 1.00 0.00 C ATOM 1319 O LEU A 82 -4.945 -7.815 2.709 1.00 0.00 O ATOM 1320 CB LEU A 82 -6.434 -5.364 3.362 1.00 0.00 C ATOM 1321 CG LEU A 82 -6.093 -3.871 3.310 1.00 0.00 C ATOM 1322 CD1 LEU A 82 -4.951 -3.606 2.341 1.00 0.00 C ATOM 1323 CD2 LEU A 82 -7.319 -3.058 2.923 1.00 0.00 C ATOM 0 H LEU A 82 -7.889 -7.474 2.660 1.00 0.00 H new ATOM 0 HA LEU A 82 -6.438 -5.350 1.204 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -7.411 -5.479 3.830 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -5.710 -5.862 4.007 1.00 0.00 H new ATOM 0 HG LEU A 82 -5.771 -3.563 4.305 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -4.729 -2.539 2.323 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -4.066 -4.155 2.663 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -5.238 -3.934 1.342 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -7.059 -2.000 2.891 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -7.671 -3.375 1.941 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -8.107 -3.216 3.659 1.00 0.00 H new ATOM 1335 N TRP A 83 -4.453 -6.716 0.806 1.00 0.00 N ATOM 1336 CA TRP A 83 -3.227 -7.459 0.555 1.00 0.00 C ATOM 1337 C TRP A 83 -2.029 -6.530 0.657 1.00 0.00 C ATOM 1338 O TRP A 83 -1.941 -5.531 -0.056 1.00 0.00 O ATOM 1339 CB TRP A 83 -3.251 -8.108 -0.832 1.00 0.00 C ATOM 1340 CG TRP A 83 -4.351 -9.105 -1.007 1.00 0.00 C ATOM 1341 CD1 TRP A 83 -5.604 -9.028 -0.485 1.00 0.00 C ATOM 1342 CD2 TRP A 83 -4.299 -10.326 -1.754 1.00 0.00 C ATOM 1343 NE1 TRP A 83 -6.341 -10.122 -0.858 1.00 0.00 N ATOM 1344 CE2 TRP A 83 -5.562 -10.936 -1.639 1.00 0.00 C ATOM 1345 CE3 TRP A 83 -3.309 -10.961 -2.509 1.00 0.00 C ATOM 1346 CZ2 TRP A 83 -5.861 -12.151 -2.251 1.00 0.00 C ATOM 1347 CZ3 TRP A 83 -3.607 -12.167 -3.115 1.00 0.00 C ATOM 1348 CH2 TRP A 83 -4.873 -12.751 -2.984 1.00 0.00 C ATOM 0 H TRP A 83 -4.667 -6.008 0.103 1.00 0.00 H new ATOM 0 HA TRP A 83 -3.149 -8.246 1.305 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -3.355 -7.329 -1.587 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -2.295 -8.599 -1.011 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -5.967 -8.221 0.134 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -7.311 -10.301 -0.597 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -2.330 -10.518 -2.617 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -6.837 -12.603 -2.151 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -2.850 -12.668 -3.700 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -5.074 -13.694 -3.471 1.00 0.00 H new ATOM 1359 N PHE A 84 -1.110 -6.870 1.542 1.00 0.00 N ATOM 1360 CA PHE A 84 0.092 -6.065 1.737 1.00 0.00 C ATOM 1361 C PHE A 84 1.336 -6.838 1.309 1.00 0.00 C ATOM 1362 O PHE A 84 1.660 -7.882 1.874 1.00 0.00 O ATOM 1363 CB PHE A 84 0.212 -5.612 3.198 1.00 0.00 C ATOM 1364 CG PHE A 84 -0.644 -4.418 3.555 1.00 0.00 C ATOM 1365 CD1 PHE A 84 -1.406 -3.766 2.592 1.00 0.00 C ATOM 1366 CD2 PHE A 84 -0.690 -3.949 4.862 1.00 0.00 C ATOM 1367 CE1 PHE A 84 -2.189 -2.678 2.925 1.00 0.00 C ATOM 1368 CE2 PHE A 84 -1.475 -2.862 5.197 1.00 0.00 C ATOM 1369 CZ PHE A 84 -2.224 -2.226 4.228 1.00 0.00 C ATOM 0 H PHE A 84 -1.168 -7.696 2.138 1.00 0.00 H new ATOM 0 HA PHE A 84 0.010 -5.177 1.110 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -0.059 -6.445 3.847 1.00 0.00 H new ATOM 0 HB3 PHE A 84 1.254 -5.371 3.406 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -1.385 -4.115 1.570 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -0.105 -4.440 5.626 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -2.774 -2.181 2.165 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -1.502 -2.510 6.218 1.00 0.00 H new ATOM 0 HZ PHE A 84 -2.837 -1.376 4.489 1.00 0.00 H new ATOM 1379 N TRP A 85 2.022 -6.321 0.291 1.00 0.00 N ATOM 1380 CA TRP A 85 3.223 -6.966 -0.233 1.00 0.00 C ATOM 1381 C TRP A 85 4.492 -6.211 0.162 1.00 0.00 C ATOM 1382 O TRP A 85 4.485 -4.989 0.305 1.00 0.00 O ATOM 1383 CB TRP A 85 3.138 -7.079 -1.757 1.00 0.00 C ATOM 1384 CG TRP A 85 1.954 -7.868 -2.227 1.00 0.00 C ATOM 1385 CD1 TRP A 85 0.638 -7.584 -2.001 1.00 0.00 C ATOM 1386 CD2 TRP A 85 1.977 -9.073 -3.002 1.00 0.00 C ATOM 1387 NE1 TRP A 85 -0.158 -8.538 -2.587 1.00 0.00 N ATOM 1388 CE2 TRP A 85 0.640 -9.463 -3.208 1.00 0.00 C ATOM 1389 CE3 TRP A 85 2.998 -9.858 -3.543 1.00 0.00 C ATOM 1390 CZ2 TRP A 85 0.300 -10.603 -3.932 1.00 0.00 C ATOM 1391 CZ3 TRP A 85 2.660 -10.991 -4.259 1.00 0.00 C ATOM 1392 CH2 TRP A 85 1.320 -11.353 -4.449 1.00 0.00 C ATOM 0 H TRP A 85 1.766 -5.457 -0.187 1.00 0.00 H new ATOM 0 HA TRP A 85 3.278 -7.963 0.205 1.00 0.00 H new ATOM 0 HB2 TRP A 85 3.093 -6.078 -2.187 1.00 0.00 H new ATOM 0 HB3 TRP A 85 4.049 -7.546 -2.131 1.00 0.00 H new ATOM 0 HD1 TRP A 85 0.276 -6.733 -1.443 1.00 0.00 H new ATOM 0 HE1 TRP A 85 -1.178 -8.555 -2.564 1.00 0.00 H new ATOM 0 HE3 TRP A 85 4.034 -9.584 -3.404 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 -0.732 -10.885 -4.080 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 3.441 -11.607 -4.679 1.00 0.00 H new ATOM 0 HH2 TRP A 85 1.088 -12.243 -5.015 1.00 0.00 H new ATOM 1403 N LEU A 86 5.576 -6.962 0.334 1.00 0.00 N ATOM 1404 CA LEU A 86 6.866 -6.398 0.710 1.00 0.00 C ATOM 1405 C LEU A 86 7.721 -6.089 -0.520 1.00 0.00 C ATOM 1406 O LEU A 86 7.767 -6.860 -1.478 1.00 0.00 O ATOM 1407 CB LEU A 86 7.610 -7.359 1.639 1.00 0.00 C ATOM 1408 CG LEU A 86 9.041 -6.947 1.992 1.00 0.00 C ATOM 1409 CD1 LEU A 86 9.039 -5.698 2.860 1.00 0.00 C ATOM 1410 CD2 LEU A 86 9.764 -8.087 2.696 1.00 0.00 C ATOM 0 H LEU A 86 5.584 -7.975 0.217 1.00 0.00 H new ATOM 0 HA LEU A 86 6.681 -5.460 1.234 1.00 0.00 H new ATOM 0 HB2 LEU A 86 7.040 -7.461 2.562 1.00 0.00 H new ATOM 0 HB3 LEU A 86 7.637 -8.343 1.171 1.00 0.00 H new ATOM 0 HG LEU A 86 9.573 -6.720 1.068 1.00 0.00 H new ATOM 0 HD11 LEU A 86 10.065 -5.421 3.101 1.00 0.00 H new ATOM 0 HD12 LEU A 86 8.559 -4.881 2.321 1.00 0.00 H new ATOM 0 HD13 LEU A 86 8.491 -5.896 3.781 1.00 0.00 H new ATOM 0 HD21 LEU A 86 10.780 -7.778 2.940 1.00 0.00 H new ATOM 0 HD22 LEU A 86 9.233 -8.344 3.613 1.00 0.00 H new ATOM 0 HD23 LEU A 86 9.797 -8.957 2.040 1.00 0.00 H new ATOM 1422 N VAL A 87 8.384 -4.941 -0.471 1.00 0.00 N ATOM 1423 CA VAL A 87 9.246 -4.466 -1.553 1.00 0.00 C ATOM 1424 C VAL A 87 10.651 -4.256 -1.047 1.00 0.00 C ATOM 1425 O VAL A 87 10.834 -3.889 0.113 1.00 0.00 O ATOM 1426 CB VAL A 87 8.755 -3.132 -2.092 1.00 0.00 C ATOM 1427 CG1 VAL A 87 9.559 -2.696 -3.305 1.00 0.00 C ATOM 1428 CG2 VAL A 87 7.274 -3.217 -2.404 1.00 0.00 C ATOM 0 H VAL A 87 8.340 -4.306 0.326 1.00 0.00 H new ATOM 0 HA VAL A 87 9.225 -5.221 -2.339 1.00 0.00 H new ATOM 0 HB VAL A 87 8.902 -2.370 -1.326 1.00 0.00 H new ATOM 0 HG11 VAL A 87 9.183 -1.739 -3.666 1.00 0.00 H new ATOM 0 HG12 VAL A 87 10.608 -2.592 -3.028 1.00 0.00 H new ATOM 0 HG13 VAL A 87 9.464 -3.444 -4.092 1.00 0.00 H new ATOM 0 HG21 VAL A 87 6.928 -2.258 -2.790 1.00 0.00 H new ATOM 0 HG22 VAL A 87 7.104 -3.992 -3.151 1.00 0.00 H new ATOM 0 HG23 VAL A 87 6.724 -3.462 -1.495 1.00 0.00 H new ATOM 1438 N GLU A 88 11.650 -4.510 -1.881 1.00 0.00 N ATOM 1439 CA GLU A 88 13.022 -4.343 -1.416 1.00 0.00 C ATOM 1440 C GLU A 88 13.814 -3.227 -2.121 1.00 0.00 C ATOM 1441 O GLU A 88 14.866 -2.831 -1.618 1.00 0.00 O ATOM 1442 CB GLU A 88 13.789 -5.664 -1.531 1.00 0.00 C ATOM 1443 CG GLU A 88 12.899 -6.896 -1.577 1.00 0.00 C ATOM 1444 CD GLU A 88 13.673 -8.166 -1.862 1.00 0.00 C ATOM 1445 OE1 GLU A 88 14.523 -8.545 -1.027 1.00 0.00 O ATOM 1446 OE2 GLU A 88 13.431 -8.786 -2.920 1.00 0.00 O ATOM 0 H GLU A 88 11.546 -4.821 -2.847 1.00 0.00 H new ATOM 0 HA GLU A 88 12.931 -4.035 -0.374 1.00 0.00 H new ATOM 0 HB2 GLU A 88 14.403 -5.638 -2.431 1.00 0.00 H new ATOM 0 HB3 GLU A 88 14.469 -5.752 -0.684 1.00 0.00 H new ATOM 0 HG2 GLU A 88 12.378 -6.999 -0.625 1.00 0.00 H new ATOM 0 HG3 GLU A 88 12.137 -6.760 -2.344 1.00 0.00 H new ATOM 1453 N ARG A 89 13.359 -2.720 -3.270 1.00 0.00 N ATOM 1454 CA ARG A 89 14.125 -1.669 -3.955 1.00 0.00 C ATOM 1455 C ARG A 89 13.291 -0.930 -5.001 1.00 0.00 C ATOM 1456 O ARG A 89 12.266 -1.432 -5.446 1.00 0.00 O ATOM 1457 CB ARG A 89 15.380 -2.293 -4.592 1.00 0.00 C ATOM 1458 CG ARG A 89 15.937 -1.550 -5.804 1.00 0.00 C ATOM 1459 CD ARG A 89 16.753 -0.335 -5.394 1.00 0.00 C ATOM 1460 NE ARG A 89 18.173 -0.503 -5.694 1.00 0.00 N ATOM 1461 CZ ARG A 89 19.038 0.506 -5.777 1.00 0.00 C ATOM 1462 NH1 ARG A 89 18.633 1.755 -5.585 1.00 0.00 N ATOM 1463 NH2 ARG A 89 20.312 0.265 -6.055 1.00 0.00 N ATOM 0 H ARG A 89 12.497 -3.005 -3.734 1.00 0.00 H new ATOM 0 HA ARG A 89 14.419 -0.924 -3.216 1.00 0.00 H new ATOM 0 HB2 ARG A 89 16.160 -2.353 -3.833 1.00 0.00 H new ATOM 0 HB3 ARG A 89 15.146 -3.315 -4.890 1.00 0.00 H new ATOM 0 HG2 ARG A 89 16.560 -2.226 -6.390 1.00 0.00 H new ATOM 0 HG3 ARG A 89 15.115 -1.236 -6.447 1.00 0.00 H new ATOM 0 HD2 ARG A 89 16.375 0.547 -5.911 1.00 0.00 H new ATOM 0 HD3 ARG A 89 16.627 -0.157 -4.326 1.00 0.00 H new ATOM 0 HE ARG A 89 18.522 -1.449 -5.849 1.00 0.00 H new ATOM 0 HH11 ARG A 89 17.654 1.947 -5.372 1.00 0.00 H new ATOM 0 HH12 ARG A 89 19.301 2.523 -5.650 1.00 0.00 H new ATOM 0 HH21 ARG A 89 20.629 -0.693 -6.205 1.00 0.00 H new ATOM 0 HH22 ARG A 89 20.975 1.037 -6.119 1.00 0.00 H new ATOM 1477 N TRP A 90 13.766 0.252 -5.405 1.00 0.00 N ATOM 1478 CA TRP A 90 13.097 1.057 -6.427 1.00 0.00 C ATOM 1479 C TRP A 90 14.078 2.032 -7.082 1.00 0.00 C ATOM 1480 O TRP A 90 14.716 2.829 -6.394 1.00 0.00 O ATOM 1481 CB TRP A 90 11.879 1.780 -5.836 1.00 0.00 C ATOM 1482 CG TRP A 90 12.156 3.126 -5.233 1.00 0.00 C ATOM 1483 CD1 TRP A 90 12.607 4.245 -5.873 1.00 0.00 C ATOM 1484 CD2 TRP A 90 11.962 3.499 -3.866 1.00 0.00 C ATOM 1485 NE1 TRP A 90 12.722 5.283 -4.984 1.00 0.00 N ATOM 1486 CE2 TRP A 90 12.324 4.853 -3.746 1.00 0.00 C ATOM 1487 CE3 TRP A 90 11.518 2.815 -2.730 1.00 0.00 C ATOM 1488 CZ2 TRP A 90 12.254 5.539 -2.537 1.00 0.00 C ATOM 1489 CZ3 TRP A 90 11.449 3.498 -1.531 1.00 0.00 C ATOM 1490 CH2 TRP A 90 11.813 4.847 -1.444 1.00 0.00 C ATOM 0 H TRP A 90 14.618 0.674 -5.035 1.00 0.00 H new ATOM 0 HA TRP A 90 12.733 0.391 -7.210 1.00 0.00 H new ATOM 0 HB2 TRP A 90 11.133 1.900 -6.622 1.00 0.00 H new ATOM 0 HB3 TRP A 90 11.436 1.143 -5.071 1.00 0.00 H new ATOM 0 HD1 TRP A 90 12.839 4.304 -6.926 1.00 0.00 H new ATOM 0 HE1 TRP A 90 13.050 6.222 -5.208 1.00 0.00 H new ATOM 0 HE3 TRP A 90 11.235 1.774 -2.789 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 12.537 6.579 -2.465 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 11.108 2.982 -0.645 1.00 0.00 H new ATOM 0 HH2 TRP A 90 11.744 5.352 -0.492 1.00 0.00 H new ATOM 1501 N GLU A 91 14.211 1.964 -8.413 1.00 0.00 N ATOM 1502 CA GLU A 91 15.129 2.858 -9.112 1.00 0.00 C ATOM 1503 C GLU A 91 14.500 4.236 -9.294 1.00 0.00 C ATOM 1504 O GLU A 91 13.287 4.357 -9.462 1.00 0.00 O ATOM 1505 CB GLU A 91 15.525 2.277 -10.470 1.00 0.00 C ATOM 1506 CG GLU A 91 17.028 2.214 -10.690 1.00 0.00 C ATOM 1507 CD GLU A 91 17.553 0.792 -10.740 1.00 0.00 C ATOM 1508 OE1 GLU A 91 16.789 -0.109 -11.145 1.00 0.00 O ATOM 1509 OE2 GLU A 91 18.729 0.580 -10.375 1.00 0.00 O ATOM 0 H GLU A 91 13.704 1.312 -9.012 1.00 0.00 H new ATOM 0 HA GLU A 91 16.028 2.961 -8.505 1.00 0.00 H new ATOM 0 HB2 GLU A 91 15.110 1.273 -10.561 1.00 0.00 H new ATOM 0 HB3 GLU A 91 15.076 2.880 -11.259 1.00 0.00 H new ATOM 0 HG2 GLU A 91 17.276 2.722 -11.622 1.00 0.00 H new ATOM 0 HG3 GLU A 91 17.531 2.755 -9.889 1.00 0.00 H new ATOM 1516 N GLY A 92 15.330 5.271 -9.252 1.00 0.00 N ATOM 1517 CA GLY A 92 14.830 6.624 -9.408 1.00 0.00 C ATOM 1518 C GLY A 92 13.839 6.997 -8.324 1.00 0.00 C ATOM 1519 O GLY A 92 14.169 6.969 -7.138 1.00 0.00 O ATOM 0 H GLY A 92 16.338 5.198 -9.113 1.00 0.00 H new ATOM 0 HA2 GLY A 92 15.666 7.323 -9.389 1.00 0.00 H new ATOM 0 HA3 GLY A 92 14.353 6.723 -10.383 1.00 0.00 H new ATOM 1523 N GLU A 93 12.623 7.345 -8.728 1.00 0.00 N ATOM 1524 CA GLU A 93 11.583 7.720 -7.778 1.00 0.00 C ATOM 1525 C GLU A 93 10.255 7.049 -8.129 1.00 0.00 C ATOM 1526 O GLU A 93 9.852 7.037 -9.290 1.00 0.00 O ATOM 1527 CB GLU A 93 11.406 9.239 -7.758 1.00 0.00 C ATOM 1528 CG GLU A 93 12.691 9.998 -7.464 1.00 0.00 C ATOM 1529 CD GLU A 93 12.518 11.500 -7.581 1.00 0.00 C ATOM 1530 OE1 GLU A 93 11.620 12.048 -6.908 1.00 0.00 O ATOM 1531 OE2 GLU A 93 13.283 12.128 -8.344 1.00 0.00 O ATOM 0 H GLU A 93 12.333 7.375 -9.706 1.00 0.00 H new ATOM 0 HA GLU A 93 11.892 7.382 -6.789 1.00 0.00 H new ATOM 0 HB2 GLU A 93 11.015 9.564 -8.722 1.00 0.00 H new ATOM 0 HB3 GLU A 93 10.660 9.500 -7.007 1.00 0.00 H new ATOM 0 HG2 GLU A 93 13.032 9.752 -6.459 1.00 0.00 H new ATOM 0 HG3 GLU A 93 13.469 9.670 -8.154 1.00 0.00 H new ATOM 1538 N PRO A 94 9.545 6.487 -7.129 1.00 0.00 N ATOM 1539 CA PRO A 94 8.256 5.829 -7.339 1.00 0.00 C ATOM 1540 C PRO A 94 7.144 6.846 -7.529 1.00 0.00 C ATOM 1541 O PRO A 94 6.994 7.769 -6.729 1.00 0.00 O ATOM 1542 CB PRO A 94 8.037 5.021 -6.046 1.00 0.00 C ATOM 1543 CG PRO A 94 9.301 5.166 -5.262 1.00 0.00 C ATOM 1544 CD PRO A 94 9.919 6.455 -5.716 1.00 0.00 C ATOM 0 HA PRO A 94 8.249 5.208 -8.235 1.00 0.00 H new ATOM 0 HB2 PRO A 94 7.183 5.402 -5.486 1.00 0.00 H new ATOM 0 HB3 PRO A 94 7.832 3.974 -6.268 1.00 0.00 H new ATOM 0 HG2 PRO A 94 9.097 5.186 -4.191 1.00 0.00 H new ATOM 0 HG3 PRO A 94 9.972 4.326 -5.443 1.00 0.00 H new ATOM 0 HD2 PRO A 94 9.525 7.312 -5.170 1.00 0.00 H new ATOM 0 HD3 PRO A 94 11.000 6.460 -5.579 1.00 0.00 H new ATOM 1552 N TRP A 95 6.370 6.682 -8.591 1.00 0.00 N ATOM 1553 CA TRP A 95 5.282 7.604 -8.869 1.00 0.00 C ATOM 1554 C TRP A 95 3.981 6.874 -9.129 1.00 0.00 C ATOM 1555 O TRP A 95 2.995 7.058 -8.416 1.00 0.00 O ATOM 1556 CB TRP A 95 5.606 8.472 -10.088 1.00 0.00 C ATOM 1557 CG TRP A 95 6.295 7.737 -11.209 1.00 0.00 C ATOM 1558 CD1 TRP A 95 7.628 7.517 -11.325 1.00 0.00 C ATOM 1559 CD2 TRP A 95 5.690 7.132 -12.366 1.00 0.00 C ATOM 1560 NE1 TRP A 95 7.908 6.844 -12.490 1.00 0.00 N ATOM 1561 CE2 TRP A 95 6.734 6.595 -13.147 1.00 0.00 C ATOM 1562 CE3 TRP A 95 4.374 6.997 -12.821 1.00 0.00 C ATOM 1563 CZ2 TRP A 95 6.502 5.944 -14.357 1.00 0.00 C ATOM 1564 CZ3 TRP A 95 4.146 6.346 -14.019 1.00 0.00 C ATOM 1565 CH2 TRP A 95 5.205 5.830 -14.777 1.00 0.00 C ATOM 0 H TRP A 95 6.474 5.926 -9.268 1.00 0.00 H new ATOM 0 HA TRP A 95 5.167 8.230 -7.984 1.00 0.00 H new ATOM 0 HB2 TRP A 95 4.680 8.904 -10.468 1.00 0.00 H new ATOM 0 HB3 TRP A 95 6.238 9.301 -9.771 1.00 0.00 H new ATOM 0 HD1 TRP A 95 8.367 7.828 -10.602 1.00 0.00 H new ATOM 0 HE1 TRP A 95 8.838 6.575 -12.812 1.00 0.00 H new ATOM 0 HE3 TRP A 95 3.551 7.394 -12.246 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 7.317 5.544 -14.942 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 3.133 6.233 -14.377 1.00 0.00 H new ATOM 0 HH2 TRP A 95 4.993 5.332 -15.712 1.00 0.00 H new ATOM 1576 N GLY A 96 3.993 6.061 -10.171 1.00 0.00 N ATOM 1577 CA GLY A 96 2.809 5.312 -10.556 1.00 0.00 C ATOM 1578 C GLY A 96 1.527 6.124 -10.446 1.00 0.00 C ATOM 1579 O GLY A 96 1.170 6.861 -11.366 1.00 0.00 O ATOM 0 H GLY A 96 4.807 5.903 -10.765 1.00 0.00 H new ATOM 0 HA2 GLY A 96 2.924 4.964 -11.582 1.00 0.00 H new ATOM 0 HA3 GLY A 96 2.726 4.426 -9.926 1.00 0.00 H new ATOM 1583 N LYS A 97 0.833 5.984 -9.315 1.00 0.00 N ATOM 1584 CA LYS A 97 -0.418 6.700 -9.075 1.00 0.00 C ATOM 1585 C LYS A 97 -1.136 6.138 -7.846 1.00 0.00 C ATOM 1586 O LYS A 97 -2.186 5.507 -7.961 1.00 0.00 O ATOM 1587 CB LYS A 97 -1.334 6.613 -10.302 1.00 0.00 C ATOM 1588 CG LYS A 97 -1.375 7.894 -11.120 1.00 0.00 C ATOM 1589 CD LYS A 97 -2.677 8.651 -10.910 1.00 0.00 C ATOM 1590 CE LYS A 97 -2.446 10.152 -10.843 1.00 0.00 C ATOM 1591 NZ LYS A 97 -3.723 10.915 -10.905 1.00 0.00 N ATOM 0 H LYS A 97 1.120 5.377 -8.547 1.00 0.00 H new ATOM 0 HA LYS A 97 -0.177 7.747 -8.890 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -0.998 5.795 -10.939 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -2.344 6.368 -9.975 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -0.535 8.530 -10.843 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -1.259 7.655 -12.177 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -3.366 8.424 -11.724 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -3.150 8.313 -9.988 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -1.921 10.397 -9.920 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -1.801 10.457 -11.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -3.521 11.934 -10.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -4.212 10.701 -11.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -4.329 10.644 -10.104 1.00 0.00 H new ATOM 1605 N GLU A 98 -0.558 6.373 -6.672 1.00 0.00 N ATOM 1606 CA GLU A 98 -1.137 5.895 -5.417 1.00 0.00 C ATOM 1607 C GLU A 98 -1.992 6.980 -4.770 1.00 0.00 C ATOM 1608 O GLU A 98 -3.049 6.697 -4.206 1.00 0.00 O ATOM 1609 CB GLU A 98 -0.036 5.451 -4.444 1.00 0.00 C ATOM 1610 CG GLU A 98 1.353 5.970 -4.793 1.00 0.00 C ATOM 1611 CD GLU A 98 1.496 7.462 -4.566 1.00 0.00 C ATOM 1612 OE1 GLU A 98 1.001 8.240 -5.410 1.00 0.00 O ATOM 1613 OE2 GLU A 98 2.103 7.853 -3.549 1.00 0.00 O ATOM 0 H GLU A 98 0.313 6.893 -6.562 1.00 0.00 H new ATOM 0 HA GLU A 98 -1.770 5.038 -5.646 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -0.296 5.788 -3.441 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -0.008 4.362 -4.417 1.00 0.00 H new ATOM 0 HG2 GLU A 98 2.094 5.443 -4.193 1.00 0.00 H new ATOM 0 HG3 GLU A 98 1.569 5.743 -5.837 1.00 0.00 H new ATOM 1620 N GLY A 99 -1.529 8.224 -4.855 1.00 0.00 N ATOM 1621 CA GLY A 99 -2.266 9.330 -4.272 1.00 0.00 C ATOM 1622 C GLY A 99 -1.405 10.563 -4.062 1.00 0.00 C ATOM 1623 O GLY A 99 -0.774 11.055 -4.997 1.00 0.00 O ATOM 0 H GLY A 99 -0.658 8.485 -5.317 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -3.105 9.584 -4.920 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -2.685 9.018 -3.316 1.00 0.00 H new ATOM 1627 N GLN A 100 -1.386 11.064 -2.830 1.00 0.00 N ATOM 1628 CA GLN A 100 -0.606 12.250 -2.493 1.00 0.00 C ATOM 1629 C GLN A 100 0.867 11.915 -2.320 1.00 0.00 C ATOM 1630 O GLN A 100 1.231 11.029 -1.548 1.00 0.00 O ATOM 1631 CB GLN A 100 -1.145 12.893 -1.214 1.00 0.00 C ATOM 1632 CG GLN A 100 -2.347 13.793 -1.447 1.00 0.00 C ATOM 1633 CD GLN A 100 -3.574 13.024 -1.892 1.00 0.00 C ATOM 1634 OE1 GLN A 100 -4.112 12.205 -1.148 1.00 0.00 O ATOM 1635 NE2 GLN A 100 -4.025 13.285 -3.114 1.00 0.00 N ATOM 0 H GLN A 100 -1.904 10.665 -2.047 1.00 0.00 H new ATOM 0 HA GLN A 100 -0.700 12.954 -3.319 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -1.420 12.107 -0.510 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -0.351 13.475 -0.747 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -2.575 14.333 -0.528 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -2.097 14.539 -2.202 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -3.548 13.972 -3.698 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -4.848 12.798 -3.469 1.00 0.00 H new ATOM 1644 N PRO A 101 1.738 12.635 -3.043 1.00 0.00 N ATOM 1645 CA PRO A 101 3.186 12.432 -2.980 1.00 0.00 C ATOM 1646 C PRO A 101 3.697 12.251 -1.551 1.00 0.00 C ATOM 1647 O PRO A 101 3.193 12.874 -0.617 1.00 0.00 O ATOM 1648 CB PRO A 101 3.710 13.732 -3.573 1.00 0.00 C ATOM 1649 CG PRO A 101 2.699 14.095 -4.596 1.00 0.00 C ATOM 1650 CD PRO A 101 1.379 13.713 -3.991 1.00 0.00 C ATOM 0 HA PRO A 101 3.507 11.529 -3.499 1.00 0.00 H new ATOM 0 HB2 PRO A 101 3.805 14.508 -2.813 1.00 0.00 H new ATOM 0 HB3 PRO A 101 4.697 13.599 -4.017 1.00 0.00 H new ATOM 0 HG2 PRO A 101 2.735 15.160 -4.825 1.00 0.00 H new ATOM 0 HG3 PRO A 101 2.874 13.562 -5.530 1.00 0.00 H new ATOM 0 HD2 PRO A 101 0.910 14.556 -3.483 1.00 0.00 H new ATOM 0 HD3 PRO A 101 0.675 13.366 -4.747 1.00 0.00 H new ATOM 1658 N GLY A 102 4.700 11.392 -1.394 1.00 0.00 N ATOM 1659 CA GLY A 102 5.269 11.135 -0.082 1.00 0.00 C ATOM 1660 C GLY A 102 6.790 11.148 -0.100 1.00 0.00 C ATOM 1661 O GLY A 102 7.401 11.316 -1.155 1.00 0.00 O ATOM 0 H GLY A 102 5.131 10.867 -2.155 1.00 0.00 H new ATOM 0 HA2 GLY A 102 4.910 11.887 0.621 1.00 0.00 H new ATOM 0 HA3 GLY A 102 4.920 10.168 0.280 1.00 0.00 H new ATOM 1665 N GLU A 103 7.400 10.972 1.069 1.00 0.00 N ATOM 1666 CA GLU A 103 8.858 10.964 1.183 1.00 0.00 C ATOM 1667 C GLU A 103 9.345 9.670 1.835 1.00 0.00 C ATOM 1668 O GLU A 103 8.590 9.005 2.543 1.00 0.00 O ATOM 1669 CB GLU A 103 9.333 12.169 1.997 1.00 0.00 C ATOM 1670 CG GLU A 103 10.844 12.258 2.131 1.00 0.00 C ATOM 1671 CD GLU A 103 11.295 13.515 2.849 1.00 0.00 C ATOM 1672 OE1 GLU A 103 10.741 13.813 3.928 1.00 0.00 O ATOM 1673 OE2 GLU A 103 12.202 14.201 2.332 1.00 0.00 O ATOM 0 H GLU A 103 6.908 10.833 1.952 1.00 0.00 H new ATOM 0 HA GLU A 103 9.277 11.025 0.179 1.00 0.00 H new ATOM 0 HB2 GLU A 103 8.964 13.081 1.528 1.00 0.00 H new ATOM 0 HB3 GLU A 103 8.891 12.121 2.992 1.00 0.00 H new ATOM 0 HG2 GLU A 103 11.209 11.385 2.672 1.00 0.00 H new ATOM 0 HG3 GLU A 103 11.295 12.230 1.139 1.00 0.00 H new ATOM 1680 N TRP A 104 10.607 9.314 1.593 1.00 0.00 N ATOM 1681 CA TRP A 104 11.172 8.093 2.170 1.00 0.00 C ATOM 1682 C TRP A 104 11.108 8.152 3.695 1.00 0.00 C ATOM 1683 O TRP A 104 11.864 8.887 4.329 1.00 0.00 O ATOM 1684 CB TRP A 104 12.629 7.887 1.716 1.00 0.00 C ATOM 1685 CG TRP A 104 12.924 8.412 0.342 1.00 0.00 C ATOM 1686 CD1 TRP A 104 12.081 8.425 -0.732 1.00 0.00 C ATOM 1687 CD2 TRP A 104 14.152 8.999 -0.105 1.00 0.00 C ATOM 1688 NE1 TRP A 104 12.709 8.985 -1.818 1.00 0.00 N ATOM 1689 CE2 TRP A 104 13.982 9.345 -1.459 1.00 0.00 C ATOM 1690 CE3 TRP A 104 15.380 9.266 0.509 1.00 0.00 C ATOM 1691 CZ2 TRP A 104 14.992 9.943 -2.207 1.00 0.00 C ATOM 1692 CZ3 TRP A 104 16.381 9.860 -0.235 1.00 0.00 C ATOM 1693 CH2 TRP A 104 16.181 10.194 -1.580 1.00 0.00 C ATOM 0 H TRP A 104 11.251 9.846 1.008 1.00 0.00 H new ATOM 0 HA TRP A 104 10.580 7.249 1.817 1.00 0.00 H new ATOM 0 HB2 TRP A 104 13.293 8.375 2.430 1.00 0.00 H new ATOM 0 HB3 TRP A 104 12.859 6.822 1.743 1.00 0.00 H new ATOM 0 HD1 TRP A 104 11.068 8.050 -0.728 1.00 0.00 H new ATOM 0 HE1 TRP A 104 12.295 9.112 -2.742 1.00 0.00 H new ATOM 0 HE3 TRP A 104 15.543 9.012 1.546 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 14.842 10.200 -3.245 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 17.334 10.070 0.228 1.00 0.00 H new ATOM 0 HH2 TRP A 104 16.983 10.660 -2.134 1.00 0.00 H new ATOM 1704 N MET A 105 10.199 7.373 4.276 1.00 0.00 N ATOM 1705 CA MET A 105 10.032 7.336 5.727 1.00 0.00 C ATOM 1706 C MET A 105 10.263 5.933 6.269 1.00 0.00 C ATOM 1707 O MET A 105 10.158 4.948 5.537 1.00 0.00 O ATOM 1708 CB MET A 105 8.636 7.821 6.128 1.00 0.00 C ATOM 1709 CG MET A 105 8.068 8.896 5.214 1.00 0.00 C ATOM 1710 SD MET A 105 7.078 10.112 6.102 1.00 0.00 S ATOM 1711 CE MET A 105 7.606 11.627 5.305 1.00 0.00 C ATOM 0 H MET A 105 9.566 6.758 3.764 1.00 0.00 H new ATOM 0 HA MET A 105 10.776 8.005 6.159 1.00 0.00 H new ATOM 0 HB2 MET A 105 7.956 6.970 6.137 1.00 0.00 H new ATOM 0 HB3 MET A 105 8.676 8.208 7.146 1.00 0.00 H new ATOM 0 HG2 MET A 105 8.887 9.403 4.704 1.00 0.00 H new ATOM 0 HG3 MET A 105 7.455 8.426 4.445 1.00 0.00 H new ATOM 0 HE1 MET A 105 7.327 12.480 5.924 1.00 0.00 H new ATOM 0 HE2 MET A 105 8.688 11.612 5.175 1.00 0.00 H new ATOM 0 HE3 MET A 105 7.125 11.713 4.331 1.00 0.00 H new ATOM 1721 N SER A 106 10.563 5.848 7.560 1.00 0.00 N ATOM 1722 CA SER A 106 10.797 4.562 8.208 1.00 0.00 C ATOM 1723 C SER A 106 9.479 3.830 8.433 1.00 0.00 C ATOM 1724 O SER A 106 8.602 4.317 9.148 1.00 0.00 O ATOM 1725 CB SER A 106 11.519 4.761 9.541 1.00 0.00 C ATOM 1726 OG SER A 106 11.060 5.928 10.203 1.00 0.00 O ATOM 0 H SER A 106 10.650 6.654 8.179 1.00 0.00 H new ATOM 0 HA SER A 106 11.426 3.958 7.554 1.00 0.00 H new ATOM 0 HB2 SER A 106 11.358 3.891 10.178 1.00 0.00 H new ATOM 0 HB3 SER A 106 12.593 4.836 9.369 1.00 0.00 H new ATOM 0 HG SER A 106 11.537 6.031 11.053 1.00 0.00 H new ATOM 1732 N LEU A 107 9.340 2.662 7.816 1.00 0.00 N ATOM 1733 CA LEU A 107 8.120 1.871 7.950 1.00 0.00 C ATOM 1734 C LEU A 107 8.003 1.258 9.343 1.00 0.00 C ATOM 1735 O LEU A 107 6.916 0.857 9.762 1.00 0.00 O ATOM 1736 CB LEU A 107 8.073 0.775 6.882 1.00 0.00 C ATOM 1737 CG LEU A 107 6.785 0.741 6.055 1.00 0.00 C ATOM 1738 CD1 LEU A 107 5.623 0.241 6.900 1.00 0.00 C ATOM 1739 CD2 LEU A 107 6.479 2.119 5.481 1.00 0.00 C ATOM 0 H LEU A 107 10.053 2.242 7.220 1.00 0.00 H new ATOM 0 HA LEU A 107 7.272 2.541 7.807 1.00 0.00 H new ATOM 0 HB2 LEU A 107 8.918 0.908 6.207 1.00 0.00 H new ATOM 0 HB3 LEU A 107 8.202 -0.192 7.368 1.00 0.00 H new ATOM 0 HG LEU A 107 6.928 0.050 5.224 1.00 0.00 H new ATOM 0 HD11 LEU A 107 4.715 0.223 6.297 1.00 0.00 H new ATOM 0 HD12 LEU A 107 5.840 -0.765 7.258 1.00 0.00 H new ATOM 0 HD13 LEU A 107 5.480 0.906 7.751 1.00 0.00 H new ATOM 0 HD21 LEU A 107 5.560 2.074 4.897 1.00 0.00 H new ATOM 0 HD22 LEU A 107 6.357 2.833 6.295 1.00 0.00 H new ATOM 0 HD23 LEU A 107 7.301 2.437 4.840 1.00 0.00 H new ATOM 1751 N VAL A 108 9.121 1.189 10.060 1.00 0.00 N ATOM 1752 CA VAL A 108 9.132 0.625 11.405 1.00 0.00 C ATOM 1753 C VAL A 108 8.230 1.415 12.356 1.00 0.00 C ATOM 1754 O VAL A 108 7.939 0.964 13.464 1.00 0.00 O ATOM 1755 CB VAL A 108 10.561 0.584 11.983 1.00 0.00 C ATOM 1756 CG1 VAL A 108 11.141 1.988 12.089 1.00 0.00 C ATOM 1757 CG2 VAL A 108 10.573 -0.110 13.337 1.00 0.00 C ATOM 0 H VAL A 108 10.030 1.516 9.732 1.00 0.00 H new ATOM 0 HA VAL A 108 8.749 -0.392 11.319 1.00 0.00 H new ATOM 0 HB VAL A 108 11.188 0.010 11.301 1.00 0.00 H new ATOM 0 HG11 VAL A 108 12.150 1.935 12.499 1.00 0.00 H new ATOM 0 HG12 VAL A 108 11.175 2.443 11.099 1.00 0.00 H new ATOM 0 HG13 VAL A 108 10.514 2.592 12.745 1.00 0.00 H new ATOM 0 HG21 VAL A 108 11.591 -0.128 13.727 1.00 0.00 H new ATOM 0 HG22 VAL A 108 9.928 0.432 14.029 1.00 0.00 H new ATOM 0 HG23 VAL A 108 10.209 -1.131 13.226 1.00 0.00 H new ATOM 1767 N GLY A 109 7.787 2.594 11.921 1.00 0.00 N ATOM 1768 CA GLY A 109 6.925 3.416 12.747 1.00 0.00 C ATOM 1769 C GLY A 109 5.749 3.973 11.970 1.00 0.00 C ATOM 1770 O GLY A 109 5.488 5.176 11.998 1.00 0.00 O ATOM 0 H GLY A 109 8.012 2.992 11.009 1.00 0.00 H new ATOM 0 HA2 GLY A 109 6.557 2.825 13.586 1.00 0.00 H new ATOM 0 HA3 GLY A 109 7.504 4.239 13.167 1.00 0.00 H new ATOM 1774 N LEU A 110 5.045 3.091 11.272 1.00 0.00 N ATOM 1775 CA LEU A 110 3.895 3.470 10.475 1.00 0.00 C ATOM 1776 C LEU A 110 2.793 4.066 11.350 1.00 0.00 C ATOM 1777 O LEU A 110 2.676 3.732 12.529 1.00 0.00 O ATOM 1778 CB LEU A 110 3.386 2.240 9.729 1.00 0.00 C ATOM 1779 CG LEU A 110 2.427 1.343 10.516 1.00 0.00 C ATOM 1780 CD1 LEU A 110 1.007 1.883 10.444 1.00 0.00 C ATOM 1781 CD2 LEU A 110 2.491 -0.084 9.995 1.00 0.00 C ATOM 0 H LEU A 110 5.259 2.094 11.245 1.00 0.00 H new ATOM 0 HA LEU A 110 4.191 4.236 9.758 1.00 0.00 H new ATOM 0 HB2 LEU A 110 2.884 2.570 8.820 1.00 0.00 H new ATOM 0 HB3 LEU A 110 4.244 1.643 9.420 1.00 0.00 H new ATOM 0 HG LEU A 110 2.734 1.340 11.562 1.00 0.00 H new ATOM 0 HD11 LEU A 110 0.341 1.231 11.010 1.00 0.00 H new ATOM 0 HD12 LEU A 110 0.978 2.887 10.867 1.00 0.00 H new ATOM 0 HD13 LEU A 110 0.683 1.918 9.404 1.00 0.00 H new ATOM 0 HD21 LEU A 110 1.804 -0.710 10.564 1.00 0.00 H new ATOM 0 HD22 LEU A 110 2.209 -0.100 8.942 1.00 0.00 H new ATOM 0 HD23 LEU A 110 3.506 -0.466 10.105 1.00 0.00 H new ATOM 1793 N ASN A 111 2.001 4.965 10.770 1.00 0.00 N ATOM 1794 CA ASN A 111 0.927 5.621 11.511 1.00 0.00 C ATOM 1795 C ASN A 111 -0.457 5.151 11.077 1.00 0.00 C ATOM 1796 O ASN A 111 -0.933 5.496 9.995 1.00 0.00 O ATOM 1797 CB ASN A 111 1.031 7.138 11.350 1.00 0.00 C ATOM 1798 CG ASN A 111 0.716 7.878 12.636 1.00 0.00 C ATOM 1799 OD1 ASN A 111 -0.421 8.288 12.867 1.00 0.00 O ATOM 1800 ND2 ASN A 111 1.727 8.054 13.480 1.00 0.00 N ATOM 0 H ASN A 111 2.082 5.254 9.795 1.00 0.00 H new ATOM 0 HA ASN A 111 1.049 5.347 12.559 1.00 0.00 H new ATOM 0 HB2 ASN A 111 2.037 7.398 11.021 1.00 0.00 H new ATOM 0 HB3 ASN A 111 0.346 7.466 10.568 1.00 0.00 H new ATOM 0 HD21 ASN A 111 1.576 8.546 14.361 1.00 0.00 H new ATOM 0 HD22 ASN A 111 2.654 7.697 13.247 1.00 0.00 H new ATOM 1807 N ALA A 112 -1.113 4.389 11.951 1.00 0.00 N ATOM 1808 CA ALA A 112 -2.460 3.902 11.680 1.00 0.00 C ATOM 1809 C ALA A 112 -3.466 5.049 11.784 1.00 0.00 C ATOM 1810 O ALA A 112 -4.589 4.956 11.290 1.00 0.00 O ATOM 1811 CB ALA A 112 -2.833 2.780 12.640 1.00 0.00 C ATOM 0 H ALA A 112 -0.732 4.097 12.851 1.00 0.00 H new ATOM 0 HA ALA A 112 -2.484 3.503 10.666 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -3.842 2.432 12.419 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -2.131 1.954 12.524 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -2.793 3.150 13.665 1.00 0.00 H new ATOM 1817 N ASP A 113 -3.052 6.134 12.438 1.00 0.00 N ATOM 1818 CA ASP A 113 -3.905 7.304 12.605 1.00 0.00 C ATOM 1819 C ASP A 113 -3.927 8.148 11.333 1.00 0.00 C ATOM 1820 O ASP A 113 -4.988 8.553 10.859 1.00 0.00 O ATOM 1821 CB ASP A 113 -3.423 8.150 13.784 1.00 0.00 C ATOM 1822 CG ASP A 113 -4.557 8.890 14.466 1.00 0.00 C ATOM 1823 OD1 ASP A 113 -5.496 8.222 14.949 1.00 0.00 O ATOM 1824 OD2 ASP A 113 -4.506 10.137 14.517 1.00 0.00 O ATOM 0 H ASP A 113 -2.128 6.224 12.861 1.00 0.00 H new ATOM 0 HA ASP A 113 -4.918 6.957 12.807 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -2.924 7.507 14.509 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -2.683 8.869 13.433 1.00 0.00 H new ATOM 1829 N ASP A 114 -2.740 8.417 10.790 1.00 0.00 N ATOM 1830 CA ASP A 114 -2.611 9.223 9.579 1.00 0.00 C ATOM 1831 C ASP A 114 -3.202 8.509 8.368 1.00 0.00 C ATOM 1832 O ASP A 114 -3.681 9.149 7.434 1.00 0.00 O ATOM 1833 CB ASP A 114 -1.145 9.566 9.324 1.00 0.00 C ATOM 1834 CG ASP A 114 -0.895 11.062 9.302 1.00 0.00 C ATOM 1835 OD1 ASP A 114 -0.860 11.674 10.390 1.00 0.00 O ATOM 1836 OD2 ASP A 114 -0.732 11.620 8.196 1.00 0.00 O ATOM 0 H ASP A 114 -1.853 8.087 11.171 1.00 0.00 H new ATOM 0 HA ASP A 114 -3.172 10.145 9.732 1.00 0.00 H new ATOM 0 HB2 ASP A 114 -0.528 9.109 10.098 1.00 0.00 H new ATOM 0 HB3 ASP A 114 -0.834 9.135 8.372 1.00 0.00 H new ATOM 1841 N PHE A 115 -3.175 7.182 8.384 1.00 0.00 N ATOM 1842 CA PHE A 115 -3.723 6.403 7.281 1.00 0.00 C ATOM 1843 C PHE A 115 -5.205 6.112 7.542 1.00 0.00 C ATOM 1844 O PHE A 115 -5.718 6.438 8.612 1.00 0.00 O ATOM 1845 CB PHE A 115 -2.888 5.123 7.079 1.00 0.00 C ATOM 1846 CG PHE A 115 -3.501 3.856 7.602 1.00 0.00 C ATOM 1847 CD1 PHE A 115 -4.080 3.820 8.852 1.00 0.00 C ATOM 1848 CD2 PHE A 115 -3.475 2.698 6.842 1.00 0.00 C ATOM 1849 CE1 PHE A 115 -4.625 2.654 9.344 1.00 0.00 C ATOM 1850 CE2 PHE A 115 -4.021 1.529 7.324 1.00 0.00 C ATOM 1851 CZ PHE A 115 -4.596 1.507 8.577 1.00 0.00 C ATOM 0 H PHE A 115 -2.782 6.626 9.143 1.00 0.00 H new ATOM 0 HA PHE A 115 -3.666 6.970 6.352 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -2.698 5.000 6.013 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -1.920 5.263 7.561 1.00 0.00 H new ATOM 0 HD1 PHE A 115 -4.107 4.717 9.453 1.00 0.00 H new ATOM 0 HD2 PHE A 115 -3.022 2.712 5.862 1.00 0.00 H new ATOM 0 HE1 PHE A 115 -5.073 2.638 10.326 1.00 0.00 H new ATOM 0 HE2 PHE A 115 -3.999 0.632 6.722 1.00 0.00 H new ATOM 0 HZ PHE A 115 -5.024 0.592 8.958 1.00 0.00 H new ATOM 1861 N PRO A 116 -5.926 5.517 6.575 1.00 0.00 N ATOM 1862 CA PRO A 116 -7.355 5.227 6.742 1.00 0.00 C ATOM 1863 C PRO A 116 -7.637 4.407 8.002 1.00 0.00 C ATOM 1864 O PRO A 116 -7.025 3.363 8.224 1.00 0.00 O ATOM 1865 CB PRO A 116 -7.721 4.428 5.481 1.00 0.00 C ATOM 1866 CG PRO A 116 -6.421 4.040 4.858 1.00 0.00 C ATOM 1867 CD PRO A 116 -5.436 5.102 5.255 1.00 0.00 C ATOM 0 HA PRO A 116 -7.941 6.139 6.859 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -8.313 3.548 5.733 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -8.319 5.029 4.796 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -6.099 3.059 5.207 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -6.512 3.978 3.774 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -4.419 4.713 5.304 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -5.427 5.931 4.547 1.00 0.00 H new ATOM 1875 N PRO A 117 -8.574 4.878 8.852 1.00 0.00 N ATOM 1876 CA PRO A 117 -8.932 4.188 10.099 1.00 0.00 C ATOM 1877 C PRO A 117 -9.664 2.874 9.853 1.00 0.00 C ATOM 1878 O PRO A 117 -9.477 1.903 10.584 1.00 0.00 O ATOM 1879 CB PRO A 117 -9.851 5.185 10.808 1.00 0.00 C ATOM 1880 CG PRO A 117 -10.424 6.016 9.714 1.00 0.00 C ATOM 1881 CD PRO A 117 -9.350 6.119 8.669 1.00 0.00 C ATOM 0 HA PRO A 117 -8.048 3.915 10.676 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -10.634 4.673 11.368 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -9.297 5.796 11.521 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -11.324 5.557 9.305 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -10.708 7.002 10.081 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -9.771 6.185 7.666 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -8.732 7.005 8.815 1.00 0.00 H new ATOM 1889 N ALA A 118 -10.497 2.848 8.819 1.00 0.00 N ATOM 1890 CA ALA A 118 -11.252 1.646 8.484 1.00 0.00 C ATOM 1891 C ALA A 118 -10.350 0.569 7.894 1.00 0.00 C ATOM 1892 O ALA A 118 -10.765 -0.575 7.712 1.00 0.00 O ATOM 1893 CB ALA A 118 -12.384 1.983 7.525 1.00 0.00 C ATOM 0 H ALA A 118 -10.666 3.641 8.201 1.00 0.00 H new ATOM 0 HA ALA A 118 -11.679 1.250 9.405 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -12.939 1.076 7.284 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -13.054 2.705 7.992 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -11.971 2.410 6.611 1.00 0.00 H new ATOM 1899 N ASN A 119 -9.116 0.946 7.596 1.00 0.00 N ATOM 1900 CA ASN A 119 -8.146 0.030 7.023 1.00 0.00 C ATOM 1901 C ASN A 119 -7.092 -0.364 8.064 1.00 0.00 C ATOM 1902 O ASN A 119 -5.979 -0.760 7.717 1.00 0.00 O ATOM 1903 CB ASN A 119 -7.495 0.713 5.822 1.00 0.00 C ATOM 1904 CG ASN A 119 -8.190 0.374 4.513 1.00 0.00 C ATOM 1905 OD1 ASN A 119 -8.795 -0.689 4.374 1.00 0.00 O ATOM 1906 ND2 ASN A 119 -8.120 1.286 3.546 1.00 0.00 N ATOM 0 H ASN A 119 -8.762 1.891 7.744 1.00 0.00 H new ATOM 0 HA ASN A 119 -8.643 -0.886 6.703 1.00 0.00 H new ATOM 0 HB2 ASN A 119 -7.511 1.793 5.969 1.00 0.00 H new ATOM 0 HB3 ASN A 119 -6.448 0.415 5.762 1.00 0.00 H new ATOM 0 HD21 ASN A 119 -8.578 1.116 2.651 1.00 0.00 H new ATOM 0 HD22 ASN A 119 -7.609 2.155 3.701 1.00 0.00 H new ATOM 1913 N GLU A 120 -7.460 -0.239 9.342 1.00 0.00 N ATOM 1914 CA GLU A 120 -6.569 -0.555 10.462 1.00 0.00 C ATOM 1915 C GLU A 120 -6.399 -2.058 10.716 1.00 0.00 C ATOM 1916 O GLU A 120 -5.355 -2.476 11.207 1.00 0.00 O ATOM 1917 CB GLU A 120 -7.059 0.130 11.741 1.00 0.00 C ATOM 1918 CG GLU A 120 -6.034 1.071 12.355 1.00 0.00 C ATOM 1919 CD GLU A 120 -6.606 2.441 12.660 1.00 0.00 C ATOM 1920 OE1 GLU A 120 -7.846 2.557 12.767 1.00 0.00 O ATOM 1921 OE2 GLU A 120 -5.817 3.399 12.792 1.00 0.00 O ATOM 0 H GLU A 120 -8.384 0.084 9.629 1.00 0.00 H new ATOM 0 HA GLU A 120 -5.588 -0.174 10.178 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -7.968 0.690 11.519 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -7.325 -0.632 12.473 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -5.647 0.631 13.274 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -5.190 1.178 11.673 1.00 0.00 H new ATOM 1928 N PRO A 121 -7.413 -2.900 10.431 1.00 0.00 N ATOM 1929 CA PRO A 121 -7.322 -4.342 10.690 1.00 0.00 C ATOM 1930 C PRO A 121 -5.978 -4.950 10.285 1.00 0.00 C ATOM 1931 O PRO A 121 -5.473 -5.850 10.958 1.00 0.00 O ATOM 1932 CB PRO A 121 -8.452 -4.907 9.837 1.00 0.00 C ATOM 1933 CG PRO A 121 -9.484 -3.832 9.839 1.00 0.00 C ATOM 1934 CD PRO A 121 -8.730 -2.526 9.876 1.00 0.00 C ATOM 0 HA PRO A 121 -7.402 -4.570 11.753 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -8.113 -5.132 8.826 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -8.842 -5.834 10.256 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -10.112 -3.894 8.951 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -10.143 -3.926 10.702 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -8.636 -2.089 8.882 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -9.234 -1.790 10.502 1.00 0.00 H new ATOM 1942 N VAL A 122 -5.388 -4.449 9.206 1.00 0.00 N ATOM 1943 CA VAL A 122 -4.094 -4.943 8.753 1.00 0.00 C ATOM 1944 C VAL A 122 -2.977 -4.365 9.609 1.00 0.00 C ATOM 1945 O VAL A 122 -2.124 -5.089 10.119 1.00 0.00 O ATOM 1946 CB VAL A 122 -3.818 -4.580 7.282 1.00 0.00 C ATOM 1947 CG1 VAL A 122 -2.525 -5.228 6.809 1.00 0.00 C ATOM 1948 CG2 VAL A 122 -4.979 -4.993 6.397 1.00 0.00 C ATOM 0 H VAL A 122 -5.783 -3.705 8.631 1.00 0.00 H new ATOM 0 HA VAL A 122 -4.123 -6.029 8.846 1.00 0.00 H new ATOM 0 HB VAL A 122 -3.708 -3.498 7.211 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -2.344 -4.962 5.768 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -1.696 -4.876 7.423 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -2.607 -6.311 6.897 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -4.761 -4.726 5.363 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -5.127 -6.070 6.470 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -5.884 -4.479 6.721 1.00 0.00 H new ATOM 1958 N ILE A 123 -2.996 -3.045 9.750 1.00 0.00 N ATOM 1959 CA ILE A 123 -1.994 -2.341 10.531 1.00 0.00 C ATOM 1960 C ILE A 123 -2.075 -2.718 12.005 1.00 0.00 C ATOM 1961 O ILE A 123 -1.066 -2.746 12.698 1.00 0.00 O ATOM 1962 CB ILE A 123 -2.146 -0.815 10.383 1.00 0.00 C ATOM 1963 CG1 ILE A 123 -2.015 -0.416 8.915 1.00 0.00 C ATOM 1964 CG2 ILE A 123 -1.107 -0.091 11.222 1.00 0.00 C ATOM 1965 CD1 ILE A 123 -0.625 -0.635 8.361 1.00 0.00 C ATOM 0 H ILE A 123 -3.701 -2.440 9.329 1.00 0.00 H new ATOM 0 HA ILE A 123 -1.020 -2.640 10.145 1.00 0.00 H new ATOM 0 HB ILE A 123 -3.135 -0.527 10.740 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -2.729 -0.989 8.324 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -2.282 0.635 8.805 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -1.230 0.986 11.104 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -1.236 -0.359 12.271 1.00 0.00 H new ATOM 0 HG23 ILE A 123 -0.109 -0.380 10.894 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -0.599 -0.332 7.314 1.00 0.00 H new ATOM 0 HD12 ILE A 123 0.091 -0.041 8.929 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -0.364 -1.690 8.440 1.00 0.00 H new ATOM 1977 N ALA A 124 -3.277 -3.010 12.480 1.00 0.00 N ATOM 1978 CA ALA A 124 -3.471 -3.387 13.873 1.00 0.00 C ATOM 1979 C ALA A 124 -2.574 -4.564 14.245 1.00 0.00 C ATOM 1980 O ALA A 124 -2.200 -4.731 15.405 1.00 0.00 O ATOM 1981 CB ALA A 124 -4.931 -3.729 14.132 1.00 0.00 C ATOM 0 H ALA A 124 -4.131 -2.993 11.923 1.00 0.00 H new ATOM 0 HA ALA A 124 -3.196 -2.538 14.498 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -5.059 -4.009 15.178 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -5.553 -2.862 13.909 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -5.228 -4.562 13.495 1.00 0.00 H new ATOM 1987 N LYS A 125 -2.237 -5.377 13.248 1.00 0.00 N ATOM 1988 CA LYS A 125 -1.385 -6.543 13.472 1.00 0.00 C ATOM 1989 C LYS A 125 0.094 -6.156 13.540 1.00 0.00 C ATOM 1990 O LYS A 125 0.801 -6.540 14.472 1.00 0.00 O ATOM 1991 CB LYS A 125 -1.601 -7.574 12.361 1.00 0.00 C ATOM 1992 CG LYS A 125 -2.679 -8.598 12.682 1.00 0.00 C ATOM 1993 CD LYS A 125 -2.199 -10.016 12.422 1.00 0.00 C ATOM 1994 CE LYS A 125 -3.263 -10.846 11.720 1.00 0.00 C ATOM 1995 NZ LYS A 125 -3.001 -10.967 10.260 1.00 0.00 N ATOM 0 H LYS A 125 -2.538 -5.252 12.282 1.00 0.00 H new ATOM 0 HA LYS A 125 -1.664 -6.977 14.432 1.00 0.00 H new ATOM 0 HB2 LYS A 125 -1.868 -7.054 11.441 1.00 0.00 H new ATOM 0 HB3 LYS A 125 -0.662 -8.094 12.172 1.00 0.00 H new ATOM 0 HG2 LYS A 125 -2.976 -8.499 13.726 1.00 0.00 H new ATOM 0 HG3 LYS A 125 -3.564 -8.397 12.079 1.00 0.00 H new ATOM 0 HD2 LYS A 125 -1.296 -9.989 11.812 1.00 0.00 H new ATOM 0 HD3 LYS A 125 -1.932 -10.489 13.367 1.00 0.00 H new ATOM 0 HE2 LYS A 125 -3.300 -11.840 12.165 1.00 0.00 H new ATOM 0 HE3 LYS A 125 -4.241 -10.390 11.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 -3.858 -10.707 9.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 -2.223 -10.331 9.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 -2.739 -11.948 10.034 1.00 0.00 H new ATOM 2009 N LEU A 126 0.559 -5.407 12.545 1.00 0.00 N ATOM 2010 CA LEU A 126 1.953 -4.981 12.486 1.00 0.00 C ATOM 2011 C LEU A 126 2.218 -3.812 13.429 1.00 0.00 C ATOM 2012 O LEU A 126 3.337 -3.628 13.904 1.00 0.00 O ATOM 2013 CB LEU A 126 2.327 -4.595 11.051 1.00 0.00 C ATOM 2014 CG LEU A 126 3.761 -4.095 10.851 1.00 0.00 C ATOM 2015 CD1 LEU A 126 3.883 -2.635 11.258 1.00 0.00 C ATOM 2016 CD2 LEU A 126 4.747 -4.954 11.631 1.00 0.00 C ATOM 0 H LEU A 126 -0.012 -5.081 11.765 1.00 0.00 H new ATOM 0 HA LEU A 126 2.573 -5.818 12.806 1.00 0.00 H new ATOM 0 HB2 LEU A 126 2.171 -5.462 10.409 1.00 0.00 H new ATOM 0 HB3 LEU A 126 1.640 -3.819 10.712 1.00 0.00 H new ATOM 0 HG LEU A 126 4.004 -4.176 9.791 1.00 0.00 H new ATOM 0 HD11 LEU A 126 4.909 -2.300 11.108 1.00 0.00 H new ATOM 0 HD12 LEU A 126 3.211 -2.030 10.649 1.00 0.00 H new ATOM 0 HD13 LEU A 126 3.616 -2.527 12.309 1.00 0.00 H new ATOM 0 HD21 LEU A 126 5.759 -4.580 11.474 1.00 0.00 H new ATOM 0 HD22 LEU A 126 4.505 -4.912 12.693 1.00 0.00 H new ATOM 0 HD23 LEU A 126 4.684 -5.986 11.285 1.00 0.00 H new ATOM 2028 N LYS A 127 1.181 -3.027 13.700 1.00 0.00 N ATOM 2029 CA LYS A 127 1.302 -1.878 14.590 1.00 0.00 C ATOM 2030 C LYS A 127 1.863 -2.304 15.932 1.00 0.00 C ATOM 2031 O LYS A 127 2.735 -1.644 16.496 1.00 0.00 O ATOM 2032 CB LYS A 127 -0.057 -1.230 14.793 1.00 0.00 C ATOM 2033 CG LYS A 127 -0.007 0.063 15.589 1.00 0.00 C ATOM 2034 CD LYS A 127 -1.259 0.898 15.377 1.00 0.00 C ATOM 2035 CE LYS A 127 -1.232 2.166 16.216 1.00 0.00 C ATOM 2036 NZ LYS A 127 -0.081 3.042 15.862 1.00 0.00 N ATOM 0 H LYS A 127 0.246 -3.166 13.316 1.00 0.00 H new ATOM 0 HA LYS A 127 1.982 -1.159 14.133 1.00 0.00 H new ATOM 0 HB2 LYS A 127 -0.502 -1.029 13.819 1.00 0.00 H new ATOM 0 HB3 LYS A 127 -0.713 -1.935 15.304 1.00 0.00 H new ATOM 0 HG2 LYS A 127 0.104 -0.165 16.649 1.00 0.00 H new ATOM 0 HG3 LYS A 127 0.870 0.639 15.294 1.00 0.00 H new ATOM 0 HD2 LYS A 127 -1.349 1.160 14.323 1.00 0.00 H new ATOM 0 HD3 LYS A 127 -2.139 0.308 15.635 1.00 0.00 H new ATOM 0 HE2 LYS A 127 -2.163 2.715 16.074 1.00 0.00 H new ATOM 0 HE3 LYS A 127 -1.176 1.901 17.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 -0.199 3.970 16.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 0.803 2.605 16.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 -0.042 3.164 14.830 1.00 0.00 H new ATOM 2050 N ARG A 128 1.369 -3.433 16.425 1.00 0.00 N ATOM 2051 CA ARG A 128 1.837 -3.974 17.687 1.00 0.00 C ATOM 2052 C ARG A 128 3.310 -4.345 17.569 1.00 0.00 C ATOM 2053 O ARG A 128 3.983 -4.593 18.569 1.00 0.00 O ATOM 2054 CB ARG A 128 1.005 -5.200 18.076 1.00 0.00 C ATOM 2055 CG ARG A 128 1.524 -5.930 19.304 1.00 0.00 C ATOM 2056 CD ARG A 128 0.703 -7.175 19.600 1.00 0.00 C ATOM 2057 NE ARG A 128 0.996 -8.259 18.666 1.00 0.00 N ATOM 2058 CZ ARG A 128 2.150 -8.922 18.640 1.00 0.00 C ATOM 2059 NH1 ARG A 128 3.120 -8.616 19.493 1.00 0.00 N ATOM 2060 NH2 ARG A 128 2.334 -9.896 17.759 1.00 0.00 N ATOM 0 H ARG A 128 0.646 -3.988 15.968 1.00 0.00 H new ATOM 0 HA ARG A 128 1.723 -3.220 18.466 1.00 0.00 H new ATOM 0 HB2 ARG A 128 -0.023 -4.887 18.259 1.00 0.00 H new ATOM 0 HB3 ARG A 128 0.982 -5.893 17.235 1.00 0.00 H new ATOM 0 HG2 ARG A 128 2.566 -6.208 19.150 1.00 0.00 H new ATOM 0 HG3 ARG A 128 1.497 -5.262 20.165 1.00 0.00 H new ATOM 0 HD2 ARG A 128 0.905 -7.509 20.618 1.00 0.00 H new ATOM 0 HD3 ARG A 128 -0.358 -6.930 19.550 1.00 0.00 H new ATOM 0 HE ARG A 128 0.275 -8.523 17.995 1.00 0.00 H new ATOM 0 HH11 ARG A 128 2.984 -7.869 20.174 1.00 0.00 H new ATOM 0 HH12 ARG A 128 4.002 -9.128 19.468 1.00 0.00 H new ATOM 0 HH21 ARG A 128 1.592 -10.136 17.102 1.00 0.00 H new ATOM 0 HH22 ARG A 128 3.218 -10.405 17.738 1.00 0.00 H new ATOM 2074 N LEU A 129 3.808 -4.373 16.330 1.00 0.00 N ATOM 2075 CA LEU A 129 5.207 -4.705 16.073 1.00 0.00 C ATOM 2076 C LEU A 129 5.583 -6.035 16.722 1.00 0.00 C ATOM 2077 O LEU A 129 5.268 -7.103 16.198 1.00 0.00 O ATOM 2078 CB LEU A 129 6.118 -3.587 16.594 1.00 0.00 C ATOM 2079 CG LEU A 129 6.675 -2.646 15.521 1.00 0.00 C ATOM 2080 CD1 LEU A 129 5.572 -2.195 14.576 1.00 0.00 C ATOM 2081 CD2 LEU A 129 7.349 -1.442 16.164 1.00 0.00 C ATOM 0 H LEU A 129 3.263 -4.170 15.492 1.00 0.00 H new ATOM 0 HA LEU A 129 5.341 -4.803 14.996 1.00 0.00 H new ATOM 0 HB2 LEU A 129 5.561 -2.995 17.320 1.00 0.00 H new ATOM 0 HB3 LEU A 129 6.954 -4.040 17.127 1.00 0.00 H new ATOM 0 HG LEU A 129 7.420 -3.192 14.943 1.00 0.00 H new ATOM 0 HD11 LEU A 129 5.989 -1.528 13.822 1.00 0.00 H new ATOM 0 HD12 LEU A 129 5.133 -3.065 14.088 1.00 0.00 H new ATOM 0 HD13 LEU A 129 4.802 -1.669 15.140 1.00 0.00 H new ATOM 0 HD21 LEU A 129 7.739 -0.785 15.387 1.00 0.00 H new ATOM 0 HD22 LEU A 129 6.623 -0.898 16.768 1.00 0.00 H new ATOM 0 HD23 LEU A 129 8.169 -1.780 16.798 1.00 0.00 H new