USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 610 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 56 LYS NZ :NH3+ -179:sc= 0.868 (180deg=0) USER MOD Set 1.2: A 81 THR OG1 : rot 87:sc= 2.02 USER MOD Single : A 6 THR OG1 : rot 27:sc= 0.238 USER MOD Single : A 8 GLN : amide:sc= 0.288 X(o=0.29,f=-0.069) USER MOD Single : A 15 GLN : amide:sc= 0.831 K(o=0.83,f=-1.1) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= -0.993 X(o=-0.99,f=-1.1) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -0.0107 X(o=-0.011,f=0) USER MOD Single : A 29 TYR OH : rot 30:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -0.023 X(o=-0.023,f=0) USER MOD Single : A 31 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 32 LYS NZ :NH3+ 150:sc= 1.16 (180deg=0.343) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot -27:sc= 0.228 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 5:sc= 0.787 USER MOD Single : A 75 TYR OH : rot 58:sc= 0.246 USER MOD Single : A 80 ASN : amide:sc= -0.0334 K(o=-0.033,f=-1.2) USER MOD Single : A 83 LYS NZ :NH3+ -168:sc=-0.00721 (180deg=-0.134) USER MOD Single : A 84 ASN : amide:sc= -0.0117 X(o=-0.012,f=-0.012) USER MOD ----------------------------------------------------------------- ATOM 82 N THR A 6 10.209 -6.076 1.643 1.00 0.00 N ATOM 83 CA THR A 6 9.892 -6.833 2.846 1.00 0.00 C ATOM 84 C THR A 6 10.992 -7.859 3.108 1.00 0.00 C ATOM 85 O THR A 6 11.877 -8.041 2.275 1.00 0.00 O ATOM 86 CB THR A 6 8.519 -7.499 2.668 1.00 0.00 C ATOM 87 OG1 THR A 6 7.566 -6.530 2.290 1.00 0.00 O ATOM 88 CG2 THR A 6 8.028 -8.155 3.957 1.00 0.00 C ATOM 0 HA THR A 6 9.842 -6.174 3.713 1.00 0.00 H new ATOM 0 HB THR A 6 8.634 -8.265 1.901 1.00 0.00 H new ATOM 0 HG1 THR A 6 8.015 -5.793 1.826 1.00 0.00 H new ATOM 0 HG21 THR A 6 7.054 -8.613 3.784 1.00 0.00 H new ATOM 0 HG22 THR A 6 8.739 -8.920 4.269 1.00 0.00 H new ATOM 0 HG23 THR A 6 7.940 -7.400 4.739 1.00 0.00 H new ATOM 96 N ASP A 7 10.949 -8.539 4.258 1.00 0.00 N ATOM 97 CA ASP A 7 11.944 -9.536 4.637 1.00 0.00 C ATOM 98 C ASP A 7 12.091 -10.626 3.573 1.00 0.00 C ATOM 99 O ASP A 7 13.078 -11.356 3.573 1.00 0.00 O ATOM 100 CB ASP A 7 11.556 -10.147 5.986 1.00 0.00 C ATOM 101 CG ASP A 7 10.208 -10.864 5.923 1.00 0.00 C ATOM 102 OD1 ASP A 7 10.173 -12.005 5.414 1.00 0.00 O ATOM 103 OD2 ASP A 7 9.217 -10.261 6.391 1.00 0.00 O ATOM 0 H ASP A 7 10.215 -8.409 4.955 1.00 0.00 H new ATOM 0 HA ASP A 7 12.912 -9.043 4.722 1.00 0.00 H new ATOM 0 HB2 ASP A 7 12.327 -10.851 6.300 1.00 0.00 H new ATOM 0 HB3 ASP A 7 11.514 -9.362 6.741 1.00 0.00 H new ATOM 108 N GLN A 8 11.121 -10.744 2.663 1.00 0.00 N ATOM 109 CA GLN A 8 11.204 -11.694 1.568 1.00 0.00 C ATOM 110 C GLN A 8 12.346 -11.310 0.627 1.00 0.00 C ATOM 111 O GLN A 8 13.218 -12.129 0.347 1.00 0.00 O ATOM 112 CB GLN A 8 9.865 -11.705 0.823 1.00 0.00 C ATOM 113 CG GLN A 8 9.898 -12.611 -0.410 1.00 0.00 C ATOM 114 CD GLN A 8 10.182 -14.063 -0.049 1.00 0.00 C ATOM 115 OE1 GLN A 8 9.264 -14.852 0.159 1.00 0.00 O ATOM 116 NE2 GLN A 8 11.459 -14.425 0.027 1.00 0.00 N ATOM 0 H GLN A 8 10.267 -10.187 2.670 1.00 0.00 H new ATOM 0 HA GLN A 8 11.409 -12.692 1.954 1.00 0.00 H new ATOM 0 HB2 GLN A 8 9.078 -12.041 1.498 1.00 0.00 H new ATOM 0 HB3 GLN A 8 9.612 -10.689 0.519 1.00 0.00 H new ATOM 0 HG2 GLN A 8 8.943 -12.548 -0.931 1.00 0.00 H new ATOM 0 HG3 GLN A 8 10.662 -12.254 -1.101 1.00 0.00 H new ATOM 0 HE21 GLN A 8 12.194 -13.741 -0.153 1.00 0.00 H new ATOM 0 HE22 GLN A 8 11.703 -15.386 0.265 1.00 0.00 H new ATOM 125 N VAL A 9 12.343 -10.069 0.139 1.00 0.00 N ATOM 126 CA VAL A 9 13.316 -9.605 -0.841 1.00 0.00 C ATOM 127 C VAL A 9 14.589 -9.116 -0.159 1.00 0.00 C ATOM 128 O VAL A 9 15.661 -9.134 -0.765 1.00 0.00 O ATOM 129 CB VAL A 9 12.671 -8.531 -1.728 1.00 0.00 C ATOM 130 CG1 VAL A 9 12.065 -7.402 -0.899 1.00 0.00 C ATOM 131 CG2 VAL A 9 13.695 -7.935 -2.692 1.00 0.00 C ATOM 0 H VAL A 9 11.664 -9.359 0.415 1.00 0.00 H new ATOM 0 HA VAL A 9 13.615 -10.435 -1.482 1.00 0.00 H new ATOM 0 HB VAL A 9 11.877 -9.024 -2.289 1.00 0.00 H new ATOM 0 HG11 VAL A 9 11.618 -6.662 -1.563 1.00 0.00 H new ATOM 0 HG12 VAL A 9 11.298 -7.807 -0.239 1.00 0.00 H new ATOM 0 HG13 VAL A 9 12.845 -6.930 -0.302 1.00 0.00 H new ATOM 0 HG21 VAL A 9 13.214 -7.176 -3.310 1.00 0.00 H new ATOM 0 HG22 VAL A 9 14.507 -7.480 -2.125 1.00 0.00 H new ATOM 0 HG23 VAL A 9 14.095 -8.723 -3.330 1.00 0.00 H new ATOM 141 N LEU A 10 14.486 -8.682 1.101 1.00 0.00 N ATOM 142 CA LEU A 10 15.646 -8.243 1.856 1.00 0.00 C ATOM 143 C LEU A 10 16.539 -9.433 2.196 1.00 0.00 C ATOM 144 O LEU A 10 17.752 -9.269 2.279 1.00 0.00 O ATOM 145 CB LEU A 10 15.185 -7.518 3.124 1.00 0.00 C ATOM 146 CG LEU A 10 15.106 -6.006 2.906 1.00 0.00 C ATOM 147 CD1 LEU A 10 14.200 -5.624 1.745 1.00 0.00 C ATOM 148 CD2 LEU A 10 14.571 -5.335 4.170 1.00 0.00 C ATOM 0 H LEU A 10 13.606 -8.628 1.614 1.00 0.00 H new ATOM 0 HA LEU A 10 16.232 -7.550 1.252 1.00 0.00 H new ATOM 0 HB2 LEU A 10 14.208 -7.895 3.425 1.00 0.00 H new ATOM 0 HB3 LEU A 10 15.875 -7.734 3.939 1.00 0.00 H new ATOM 0 HG LEU A 10 16.116 -5.669 2.672 1.00 0.00 H new ATOM 0 HD11 LEU A 10 14.183 -4.539 1.638 1.00 0.00 H new ATOM 0 HD12 LEU A 10 14.577 -6.073 0.826 1.00 0.00 H new ATOM 0 HD13 LEU A 10 13.190 -5.985 1.938 1.00 0.00 H new ATOM 0 HD21 LEU A 10 14.515 -4.258 4.014 1.00 0.00 H new ATOM 0 HD22 LEU A 10 13.577 -5.721 4.394 1.00 0.00 H new ATOM 0 HD23 LEU A 10 15.239 -5.547 5.005 1.00 0.00 H new ATOM 160 N VAL A 11 15.968 -10.627 2.394 1.00 0.00 N ATOM 161 CA VAL A 11 16.773 -11.802 2.701 1.00 0.00 C ATOM 162 C VAL A 11 17.380 -12.373 1.421 1.00 0.00 C ATOM 163 O VAL A 11 18.443 -12.991 1.463 1.00 0.00 O ATOM 164 CB VAL A 11 15.932 -12.840 3.452 1.00 0.00 C ATOM 165 CG1 VAL A 11 16.683 -14.168 3.576 1.00 0.00 C ATOM 166 CG2 VAL A 11 15.646 -12.334 4.866 1.00 0.00 C ATOM 0 H VAL A 11 14.964 -10.799 2.347 1.00 0.00 H new ATOM 0 HA VAL A 11 17.597 -11.516 3.355 1.00 0.00 H new ATOM 0 HB VAL A 11 15.009 -12.992 2.893 1.00 0.00 H new ATOM 0 HG11 VAL A 11 16.064 -14.887 4.113 1.00 0.00 H new ATOM 0 HG12 VAL A 11 16.907 -14.553 2.581 1.00 0.00 H new ATOM 0 HG13 VAL A 11 17.613 -14.010 4.122 1.00 0.00 H new ATOM 0 HG21 VAL A 11 15.048 -13.071 5.402 1.00 0.00 H new ATOM 0 HG22 VAL A 11 16.587 -12.177 5.394 1.00 0.00 H new ATOM 0 HG23 VAL A 11 15.099 -11.393 4.812 1.00 0.00 H new ATOM 176 N GLU A 12 16.725 -12.177 0.275 1.00 0.00 N ATOM 177 CA GLU A 12 17.265 -12.662 -0.984 1.00 0.00 C ATOM 178 C GLU A 12 18.500 -11.870 -1.401 1.00 0.00 C ATOM 179 O GLU A 12 19.456 -12.450 -1.909 1.00 0.00 O ATOM 180 CB GLU A 12 16.201 -12.548 -2.073 1.00 0.00 C ATOM 181 CG GLU A 12 15.137 -13.633 -1.922 1.00 0.00 C ATOM 182 CD GLU A 12 14.096 -13.530 -3.035 1.00 0.00 C ATOM 183 OE1 GLU A 12 14.413 -13.973 -4.163 1.00 0.00 O ATOM 184 OE2 GLU A 12 12.994 -13.008 -2.757 1.00 0.00 O ATOM 0 H GLU A 12 15.831 -11.691 0.198 1.00 0.00 H new ATOM 0 HA GLU A 12 17.556 -13.704 -0.849 1.00 0.00 H new ATOM 0 HB2 GLU A 12 15.731 -11.565 -2.025 1.00 0.00 H new ATOM 0 HB3 GLU A 12 16.670 -12.629 -3.053 1.00 0.00 H new ATOM 0 HG2 GLU A 12 15.607 -14.616 -1.948 1.00 0.00 H new ATOM 0 HG3 GLU A 12 14.649 -13.538 -0.952 1.00 0.00 H new ATOM 191 N ARG A 13 18.506 -10.549 -1.197 1.00 0.00 N ATOM 192 CA ARG A 13 19.609 -9.741 -1.691 1.00 0.00 C ATOM 193 C ARG A 13 20.817 -9.759 -0.759 1.00 0.00 C ATOM 194 O ARG A 13 21.933 -9.548 -1.217 1.00 0.00 O ATOM 195 CB ARG A 13 19.129 -8.328 -2.027 1.00 0.00 C ATOM 196 CG ARG A 13 18.784 -7.527 -0.774 1.00 0.00 C ATOM 197 CD ARG A 13 18.304 -6.131 -1.178 1.00 0.00 C ATOM 198 NE ARG A 13 17.144 -6.193 -2.077 1.00 0.00 N ATOM 199 CZ ARG A 13 16.640 -5.134 -2.715 1.00 0.00 C ATOM 200 NH1 ARG A 13 17.164 -3.921 -2.544 1.00 0.00 N ATOM 201 NH2 ARG A 13 15.604 -5.280 -3.535 1.00 0.00 N ATOM 0 H ARG A 13 17.776 -10.033 -0.705 1.00 0.00 H new ATOM 0 HA ARG A 13 19.965 -10.192 -2.617 1.00 0.00 H new ATOM 0 HB2 ARG A 13 19.904 -7.806 -2.589 1.00 0.00 H new ATOM 0 HB3 ARG A 13 18.252 -8.387 -2.672 1.00 0.00 H new ATOM 0 HG2 ARG A 13 18.009 -8.039 -0.204 1.00 0.00 H new ATOM 0 HG3 ARG A 13 19.657 -7.450 -0.127 1.00 0.00 H new ATOM 0 HD2 ARG A 13 18.042 -5.564 -0.285 1.00 0.00 H new ATOM 0 HD3 ARG A 13 19.116 -5.595 -1.669 1.00 0.00 H new ATOM 0 HE ARG A 13 16.697 -7.098 -2.222 1.00 0.00 H new ATOM 0 HH11 ARG A 13 17.960 -3.793 -1.919 1.00 0.00 H new ATOM 0 HH12 ARG A 13 16.769 -3.121 -3.038 1.00 0.00 H new ATOM 0 HH21 ARG A 13 15.193 -6.202 -3.678 1.00 0.00 H new ATOM 0 HH22 ARG A 13 15.220 -4.470 -4.021 1.00 0.00 H new ATOM 215 N VAL A 14 20.624 -10.017 0.541 1.00 0.00 N ATOM 216 CA VAL A 14 21.764 -10.176 1.440 1.00 0.00 C ATOM 217 C VAL A 14 22.473 -11.497 1.144 1.00 0.00 C ATOM 218 O VAL A 14 23.660 -11.638 1.429 1.00 0.00 O ATOM 219 CB VAL A 14 21.342 -10.108 2.910 1.00 0.00 C ATOM 220 CG1 VAL A 14 20.731 -8.752 3.250 1.00 0.00 C ATOM 221 CG2 VAL A 14 20.337 -11.191 3.270 1.00 0.00 C ATOM 0 H VAL A 14 19.710 -10.117 0.982 1.00 0.00 H new ATOM 0 HA VAL A 14 22.452 -9.349 1.264 1.00 0.00 H new ATOM 0 HB VAL A 14 22.252 -10.261 3.490 1.00 0.00 H new ATOM 0 HG11 VAL A 14 20.442 -8.736 4.301 1.00 0.00 H new ATOM 0 HG12 VAL A 14 21.463 -7.966 3.063 1.00 0.00 H new ATOM 0 HG13 VAL A 14 19.851 -8.583 2.629 1.00 0.00 H new ATOM 0 HG21 VAL A 14 20.068 -11.102 4.322 1.00 0.00 H new ATOM 0 HG22 VAL A 14 19.444 -11.077 2.656 1.00 0.00 H new ATOM 0 HG23 VAL A 14 20.778 -12.171 3.090 1.00 0.00 H new ATOM 231 N GLN A 15 21.752 -12.464 0.565 1.00 0.00 N ATOM 232 CA GLN A 15 22.337 -13.719 0.117 1.00 0.00 C ATOM 233 C GLN A 15 23.053 -13.523 -1.221 1.00 0.00 C ATOM 234 O GLN A 15 23.928 -14.315 -1.576 1.00 0.00 O ATOM 235 CB GLN A 15 21.239 -14.776 -0.013 1.00 0.00 C ATOM 236 CG GLN A 15 20.710 -15.184 1.368 1.00 0.00 C ATOM 237 CD GLN A 15 19.518 -16.133 1.264 1.00 0.00 C ATOM 238 OE1 GLN A 15 18.949 -16.331 0.195 1.00 0.00 O ATOM 239 NE2 GLN A 15 19.125 -16.736 2.382 1.00 0.00 N ATOM 0 H GLN A 15 20.748 -12.392 0.397 1.00 0.00 H new ATOM 0 HA GLN A 15 23.070 -14.056 0.850 1.00 0.00 H new ATOM 0 HB2 GLN A 15 20.422 -14.386 -0.620 1.00 0.00 H new ATOM 0 HB3 GLN A 15 21.630 -15.652 -0.531 1.00 0.00 H new ATOM 0 HG2 GLN A 15 21.508 -15.664 1.935 1.00 0.00 H new ATOM 0 HG3 GLN A 15 20.417 -14.292 1.922 1.00 0.00 H new ATOM 0 HE21 GLN A 15 19.615 -16.555 3.258 1.00 0.00 H new ATOM 0 HE22 GLN A 15 18.334 -17.380 2.363 1.00 0.00 H new ATOM 248 N LYS A 16 22.687 -12.474 -1.965 1.00 0.00 N ATOM 249 CA LYS A 16 23.322 -12.128 -3.229 1.00 0.00 C ATOM 250 C LYS A 16 24.511 -11.188 -3.029 1.00 0.00 C ATOM 251 O LYS A 16 25.238 -10.914 -3.985 1.00 0.00 O ATOM 252 CB LYS A 16 22.279 -11.535 -4.175 1.00 0.00 C ATOM 253 CG LYS A 16 21.282 -12.626 -4.570 1.00 0.00 C ATOM 254 CD LYS A 16 20.103 -12.017 -5.329 1.00 0.00 C ATOM 255 CE LYS A 16 19.034 -13.093 -5.538 1.00 0.00 C ATOM 256 NZ LYS A 16 17.868 -12.557 -6.266 1.00 0.00 N ATOM 0 H LYS A 16 21.934 -11.839 -1.699 1.00 0.00 H new ATOM 0 HA LYS A 16 23.726 -13.035 -3.679 1.00 0.00 H new ATOM 0 HB2 LYS A 16 21.759 -10.708 -3.691 1.00 0.00 H new ATOM 0 HB3 LYS A 16 22.764 -11.130 -5.063 1.00 0.00 H new ATOM 0 HG2 LYS A 16 21.777 -13.373 -5.191 1.00 0.00 H new ATOM 0 HG3 LYS A 16 20.923 -13.140 -3.679 1.00 0.00 H new ATOM 0 HD2 LYS A 16 19.688 -11.178 -4.770 1.00 0.00 H new ATOM 0 HD3 LYS A 16 20.436 -11.626 -6.290 1.00 0.00 H new ATOM 0 HE2 LYS A 16 19.460 -13.928 -6.094 1.00 0.00 H new ATOM 0 HE3 LYS A 16 18.714 -13.483 -4.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 17.161 -13.310 -6.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 17.449 -11.776 -5.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 18.171 -12.207 -7.197 1.00 0.00 H new ATOM 270 N GLY A 17 24.719 -10.697 -1.801 1.00 0.00 N ATOM 271 CA GLY A 17 25.905 -9.926 -1.457 1.00 0.00 C ATOM 272 C GLY A 17 25.613 -8.491 -1.019 1.00 0.00 C ATOM 273 O GLY A 17 26.554 -7.757 -0.719 1.00 0.00 O ATOM 0 H GLY A 17 24.069 -10.826 -1.026 1.00 0.00 H new ATOM 0 HA2 GLY A 17 26.438 -10.438 -0.655 1.00 0.00 H new ATOM 0 HA3 GLY A 17 26.572 -9.903 -2.319 1.00 0.00 H new ATOM 277 N ASP A 18 24.343 -8.067 -0.973 1.00 0.00 N ATOM 278 CA ASP A 18 24.015 -6.718 -0.549 1.00 0.00 C ATOM 279 C ASP A 18 23.862 -6.677 0.970 1.00 0.00 C ATOM 280 O ASP A 18 22.753 -6.760 1.493 1.00 0.00 O ATOM 281 CB ASP A 18 22.739 -6.266 -1.260 1.00 0.00 C ATOM 282 CG ASP A 18 22.971 -6.098 -2.759 1.00 0.00 C ATOM 283 OD1 ASP A 18 23.702 -5.153 -3.127 1.00 0.00 O ATOM 284 OD2 ASP A 18 22.412 -6.912 -3.528 1.00 0.00 O ATOM 0 H ASP A 18 23.538 -8.641 -1.224 1.00 0.00 H new ATOM 0 HA ASP A 18 24.817 -6.031 -0.818 1.00 0.00 H new ATOM 0 HB2 ASP A 18 21.948 -6.997 -1.092 1.00 0.00 H new ATOM 0 HB3 ASP A 18 22.397 -5.322 -0.834 1.00 0.00 H new ATOM 289 N GLN A 19 24.986 -6.542 1.684 1.00 0.00 N ATOM 290 CA GLN A 19 24.985 -6.497 3.139 1.00 0.00 C ATOM 291 C GLN A 19 24.268 -5.233 3.621 1.00 0.00 C ATOM 292 O GLN A 19 23.765 -5.182 4.743 1.00 0.00 O ATOM 293 CB GLN A 19 26.441 -6.558 3.611 1.00 0.00 C ATOM 294 CG GLN A 19 26.602 -6.867 5.102 1.00 0.00 C ATOM 295 CD GLN A 19 26.306 -5.679 6.013 1.00 0.00 C ATOM 296 OE1 GLN A 19 25.455 -5.759 6.894 1.00 0.00 O ATOM 297 NE2 GLN A 19 27.008 -4.566 5.809 1.00 0.00 N ATOM 0 H GLN A 19 25.913 -6.462 1.266 1.00 0.00 H new ATOM 0 HA GLN A 19 24.443 -7.343 3.561 1.00 0.00 H new ATOM 0 HB2 GLN A 19 26.967 -7.319 3.034 1.00 0.00 H new ATOM 0 HB3 GLN A 19 26.922 -5.604 3.394 1.00 0.00 H new ATOM 0 HG2 GLN A 19 25.938 -7.690 5.367 1.00 0.00 H new ATOM 0 HG3 GLN A 19 27.621 -7.208 5.285 1.00 0.00 H new ATOM 0 HE21 GLN A 19 27.708 -4.533 5.068 1.00 0.00 H new ATOM 0 HE22 GLN A 19 26.846 -3.746 6.394 1.00 0.00 H new ATOM 306 N LYS A 20 24.217 -4.204 2.769 1.00 0.00 N ATOM 307 CA LYS A 20 23.517 -2.960 3.055 1.00 0.00 C ATOM 308 C LYS A 20 22.031 -3.212 3.308 1.00 0.00 C ATOM 309 O LYS A 20 21.376 -2.419 3.980 1.00 0.00 O ATOM 310 CB LYS A 20 23.700 -2.008 1.868 1.00 0.00 C ATOM 311 CG LYS A 20 23.046 -2.578 0.604 1.00 0.00 C ATOM 312 CD LYS A 20 23.345 -1.694 -0.606 1.00 0.00 C ATOM 313 CE LYS A 20 22.641 -2.273 -1.834 1.00 0.00 C ATOM 314 NZ LYS A 20 22.933 -1.480 -3.042 1.00 0.00 N ATOM 0 H LYS A 20 24.667 -4.217 1.854 1.00 0.00 H new ATOM 0 HA LYS A 20 23.934 -2.514 3.958 1.00 0.00 H new ATOM 0 HB2 LYS A 20 23.262 -1.038 2.103 1.00 0.00 H new ATOM 0 HB3 LYS A 20 24.763 -1.843 1.690 1.00 0.00 H new ATOM 0 HG2 LYS A 20 23.414 -3.588 0.422 1.00 0.00 H new ATOM 0 HG3 LYS A 20 21.968 -2.653 0.748 1.00 0.00 H new ATOM 0 HD2 LYS A 20 23.003 -0.676 -0.422 1.00 0.00 H new ATOM 0 HD3 LYS A 20 24.420 -1.643 -0.778 1.00 0.00 H new ATOM 0 HE2 LYS A 20 22.961 -3.304 -1.987 1.00 0.00 H new ATOM 0 HE3 LYS A 20 21.565 -2.295 -1.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 22.442 -1.897 -3.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 22.606 -0.503 -2.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 23.958 -1.480 -3.218 1.00 0.00 H new ATOM 328 N ALA A 21 21.497 -4.314 2.773 1.00 0.00 N ATOM 329 CA ALA A 21 20.099 -4.653 2.945 1.00 0.00 C ATOM 330 C ALA A 21 19.867 -5.390 4.257 1.00 0.00 C ATOM 331 O ALA A 21 18.742 -5.423 4.747 1.00 0.00 O ATOM 332 CB ALA A 21 19.648 -5.503 1.764 1.00 0.00 C ATOM 0 H ALA A 21 22.024 -4.985 2.215 1.00 0.00 H new ATOM 0 HA ALA A 21 19.512 -3.735 2.982 1.00 0.00 H new ATOM 0 HB1 ALA A 21 18.596 -5.764 1.884 1.00 0.00 H new ATOM 0 HB2 ALA A 21 19.779 -4.940 0.840 1.00 0.00 H new ATOM 0 HB3 ALA A 21 20.245 -6.414 1.722 1.00 0.00 H new ATOM 338 N PHE A 22 20.918 -5.976 4.835 1.00 0.00 N ATOM 339 CA PHE A 22 20.781 -6.640 6.118 1.00 0.00 C ATOM 340 C PHE A 22 20.716 -5.584 7.214 1.00 0.00 C ATOM 341 O PHE A 22 20.001 -5.751 8.196 1.00 0.00 O ATOM 342 CB PHE A 22 21.942 -7.606 6.345 1.00 0.00 C ATOM 343 CG PHE A 22 21.781 -8.395 7.621 1.00 0.00 C ATOM 344 CD1 PHE A 22 20.754 -9.345 7.723 1.00 0.00 C ATOM 345 CD2 PHE A 22 22.640 -8.178 8.708 1.00 0.00 C ATOM 346 CE1 PHE A 22 20.582 -10.073 8.906 1.00 0.00 C ATOM 347 CE2 PHE A 22 22.469 -8.909 9.893 1.00 0.00 C ATOM 348 CZ PHE A 22 21.440 -9.857 9.992 1.00 0.00 C ATOM 0 H PHE A 22 21.857 -6.001 4.437 1.00 0.00 H new ATOM 0 HA PHE A 22 19.862 -7.226 6.136 1.00 0.00 H new ATOM 0 HB2 PHE A 22 22.013 -8.292 5.501 1.00 0.00 H new ATOM 0 HB3 PHE A 22 22.877 -7.047 6.380 1.00 0.00 H new ATOM 0 HD1 PHE A 22 20.094 -9.515 6.886 1.00 0.00 H new ATOM 0 HD2 PHE A 22 23.433 -7.448 8.633 1.00 0.00 H new ATOM 0 HE1 PHE A 22 19.788 -10.801 8.982 1.00 0.00 H new ATOM 0 HE2 PHE A 22 23.130 -8.742 10.730 1.00 0.00 H new ATOM 0 HZ PHE A 22 21.309 -10.420 10.904 1.00 0.00 H new ATOM 358 N ASN A 23 21.452 -4.485 7.045 1.00 0.00 N ATOM 359 CA ASN A 23 21.422 -3.381 7.988 1.00 0.00 C ATOM 360 C ASN A 23 20.022 -2.771 8.027 1.00 0.00 C ATOM 361 O ASN A 23 19.514 -2.425 9.093 1.00 0.00 O ATOM 362 CB ASN A 23 22.447 -2.353 7.517 1.00 0.00 C ATOM 363 CG ASN A 23 22.258 -1.004 8.189 1.00 0.00 C ATOM 364 OD1 ASN A 23 22.674 -0.800 9.327 1.00 0.00 O ATOM 365 ND2 ASN A 23 21.618 -0.076 7.487 1.00 0.00 N ATOM 0 H ASN A 23 22.080 -4.341 6.254 1.00 0.00 H new ATOM 0 HA ASN A 23 21.664 -3.719 8.996 1.00 0.00 H new ATOM 0 HB2 ASN A 23 23.451 -2.723 7.724 1.00 0.00 H new ATOM 0 HB3 ASN A 23 22.368 -2.233 6.437 1.00 0.00 H new ATOM 0 HD21 ASN A 23 21.456 0.847 7.890 1.00 0.00 H new ATOM 0 HD22 ASN A 23 21.289 -0.286 6.545 1.00 0.00 H new ATOM 372 N LEU A 24 19.398 -2.645 6.855 1.00 0.00 N ATOM 373 CA LEU A 24 18.043 -2.135 6.739 1.00 0.00 C ATOM 374 C LEU A 24 17.016 -3.175 7.184 1.00 0.00 C ATOM 375 O LEU A 24 15.874 -2.823 7.486 1.00 0.00 O ATOM 376 CB LEU A 24 17.790 -1.719 5.288 1.00 0.00 C ATOM 377 CG LEU A 24 18.715 -0.581 4.851 1.00 0.00 C ATOM 378 CD1 LEU A 24 18.519 -0.329 3.361 1.00 0.00 C ATOM 379 CD2 LEU A 24 18.424 0.706 5.616 1.00 0.00 C ATOM 0 H LEU A 24 19.823 -2.896 5.962 1.00 0.00 H new ATOM 0 HA LEU A 24 17.935 -1.271 7.395 1.00 0.00 H new ATOM 0 HB2 LEU A 24 17.937 -2.578 4.633 1.00 0.00 H new ATOM 0 HB3 LEU A 24 16.752 -1.406 5.176 1.00 0.00 H new ATOM 0 HG LEU A 24 19.743 -0.876 5.063 1.00 0.00 H new ATOM 0 HD11 LEU A 24 19.174 0.481 3.040 1.00 0.00 H new ATOM 0 HD12 LEU A 24 18.761 -1.234 2.804 1.00 0.00 H new ATOM 0 HD13 LEU A 24 17.482 -0.053 3.172 1.00 0.00 H new ATOM 0 HD21 LEU A 24 19.101 1.491 5.278 1.00 0.00 H new ATOM 0 HD22 LEU A 24 17.394 1.012 5.435 1.00 0.00 H new ATOM 0 HD23 LEU A 24 18.569 0.536 6.683 1.00 0.00 H new ATOM 391 N LEU A 25 17.407 -4.451 7.227 1.00 0.00 N ATOM 392 CA LEU A 25 16.527 -5.516 7.681 1.00 0.00 C ATOM 393 C LEU A 25 16.541 -5.622 9.204 1.00 0.00 C ATOM 394 O LEU A 25 15.479 -5.711 9.817 1.00 0.00 O ATOM 395 CB LEU A 25 16.956 -6.822 7.005 1.00 0.00 C ATOM 396 CG LEU A 25 16.102 -8.024 7.420 1.00 0.00 C ATOM 397 CD1 LEU A 25 14.646 -7.861 6.993 1.00 0.00 C ATOM 398 CD2 LEU A 25 16.661 -9.272 6.743 1.00 0.00 C ATOM 0 H LEU A 25 18.336 -4.767 6.949 1.00 0.00 H new ATOM 0 HA LEU A 25 15.497 -5.298 7.400 1.00 0.00 H new ATOM 0 HB2 LEU A 25 16.899 -6.700 5.923 1.00 0.00 H new ATOM 0 HB3 LEU A 25 17.999 -7.024 7.248 1.00 0.00 H new ATOM 0 HG LEU A 25 16.135 -8.104 8.507 1.00 0.00 H new ATOM 0 HD11 LEU A 25 14.075 -8.735 7.306 1.00 0.00 H new ATOM 0 HD12 LEU A 25 14.228 -6.968 7.458 1.00 0.00 H new ATOM 0 HD13 LEU A 25 14.594 -7.763 5.909 1.00 0.00 H new ATOM 0 HD21 LEU A 25 16.064 -10.139 7.028 1.00 0.00 H new ATOM 0 HD22 LEU A 25 16.625 -9.146 5.661 1.00 0.00 H new ATOM 0 HD23 LEU A 25 17.694 -9.424 7.056 1.00 0.00 H new ATOM 410 N VAL A 26 17.721 -5.612 9.832 1.00 0.00 N ATOM 411 CA VAL A 26 17.783 -5.810 11.271 1.00 0.00 C ATOM 412 C VAL A 26 17.189 -4.632 12.025 1.00 0.00 C ATOM 413 O VAL A 26 16.759 -4.816 13.155 1.00 0.00 O ATOM 414 CB VAL A 26 19.204 -6.076 11.768 1.00 0.00 C ATOM 415 CG1 VAL A 26 19.822 -7.283 11.067 1.00 0.00 C ATOM 416 CG2 VAL A 26 20.101 -4.851 11.625 1.00 0.00 C ATOM 0 H VAL A 26 18.622 -5.472 9.375 1.00 0.00 H new ATOM 0 HA VAL A 26 17.185 -6.699 11.474 1.00 0.00 H new ATOM 0 HB VAL A 26 19.127 -6.302 12.832 1.00 0.00 H new ATOM 0 HG11 VAL A 26 20.832 -7.445 11.443 1.00 0.00 H new ATOM 0 HG12 VAL A 26 19.216 -8.167 11.263 1.00 0.00 H new ATOM 0 HG13 VAL A 26 19.860 -7.100 9.993 1.00 0.00 H new ATOM 0 HG21 VAL A 26 21.100 -5.087 11.991 1.00 0.00 H new ATOM 0 HG22 VAL A 26 20.157 -4.562 10.576 1.00 0.00 H new ATOM 0 HG23 VAL A 26 19.687 -4.027 12.206 1.00 0.00 H new ATOM 426 N VAL A 27 17.152 -3.432 11.437 1.00 0.00 N ATOM 427 CA VAL A 27 16.586 -2.286 12.139 1.00 0.00 C ATOM 428 C VAL A 27 15.069 -2.432 12.281 1.00 0.00 C ATOM 429 O VAL A 27 14.493 -1.883 13.220 1.00 0.00 O ATOM 430 CB VAL A 27 17.004 -0.979 11.449 1.00 0.00 C ATOM 431 CG1 VAL A 27 16.424 -0.877 10.043 1.00 0.00 C ATOM 432 CG2 VAL A 27 16.547 0.233 12.260 1.00 0.00 C ATOM 0 H VAL A 27 17.500 -3.235 10.498 1.00 0.00 H new ATOM 0 HA VAL A 27 16.986 -2.249 13.152 1.00 0.00 H new ATOM 0 HB VAL A 27 18.092 -0.989 11.383 1.00 0.00 H new ATOM 0 HG11 VAL A 27 16.741 0.060 9.586 1.00 0.00 H new ATOM 0 HG12 VAL A 27 16.780 -1.713 9.441 1.00 0.00 H new ATOM 0 HG13 VAL A 27 15.336 -0.905 10.095 1.00 0.00 H new ATOM 0 HG21 VAL A 27 16.854 1.147 11.752 1.00 0.00 H new ATOM 0 HG22 VAL A 27 15.461 0.218 12.356 1.00 0.00 H new ATOM 0 HG23 VAL A 27 16.999 0.199 13.251 1.00 0.00 H new ATOM 442 N ARG A 28 14.419 -3.166 11.369 1.00 0.00 N ATOM 443 CA ARG A 28 12.986 -3.428 11.474 1.00 0.00 C ATOM 444 C ARG A 28 12.729 -4.335 12.671 1.00 0.00 C ATOM 445 O ARG A 28 11.677 -4.263 13.306 1.00 0.00 O ATOM 446 CB ARG A 28 12.484 -4.118 10.200 1.00 0.00 C ATOM 447 CG ARG A 28 12.900 -3.373 8.932 1.00 0.00 C ATOM 448 CD ARG A 28 12.366 -4.075 7.682 1.00 0.00 C ATOM 449 NE ARG A 28 10.905 -3.972 7.573 1.00 0.00 N ATOM 450 CZ ARG A 28 10.236 -3.914 6.415 1.00 0.00 C ATOM 451 NH1 ARG A 28 10.874 -3.942 5.247 1.00 0.00 N ATOM 452 NH2 ARG A 28 8.911 -3.830 6.419 1.00 0.00 N ATOM 0 H ARG A 28 14.865 -3.586 10.554 1.00 0.00 H new ATOM 0 HA ARG A 28 12.457 -2.484 11.602 1.00 0.00 H new ATOM 0 HB2 ARG A 28 12.872 -5.136 10.164 1.00 0.00 H new ATOM 0 HB3 ARG A 28 11.397 -4.192 10.234 1.00 0.00 H new ATOM 0 HG2 ARG A 28 12.524 -2.350 8.967 1.00 0.00 H new ATOM 0 HG3 ARG A 28 13.987 -3.312 8.882 1.00 0.00 H new ATOM 0 HD2 ARG A 28 12.827 -3.638 6.796 1.00 0.00 H new ATOM 0 HD3 ARG A 28 12.654 -5.126 7.706 1.00 0.00 H new ATOM 0 HE ARG A 28 10.364 -3.943 8.437 1.00 0.00 H new ATOM 0 HH11 ARG A 28 11.892 -4.009 5.223 1.00 0.00 H new ATOM 0 HH12 ARG A 28 10.345 -3.897 4.376 1.00 0.00 H new ATOM 0 HH21 ARG A 28 8.404 -3.810 7.304 1.00 0.00 H new ATOM 0 HH22 ARG A 28 8.400 -3.786 5.537 1.00 0.00 H new ATOM 466 N TYR A 29 13.705 -5.193 12.976 1.00 0.00 N ATOM 467 CA TYR A 29 13.614 -6.137 14.076 1.00 0.00 C ATOM 468 C TYR A 29 14.382 -5.676 15.311 1.00 0.00 C ATOM 469 O TYR A 29 14.263 -6.289 16.366 1.00 0.00 O ATOM 470 CB TYR A 29 14.101 -7.498 13.587 1.00 0.00 C ATOM 471 CG TYR A 29 13.177 -8.109 12.559 1.00 0.00 C ATOM 472 CD1 TYR A 29 13.221 -7.689 11.224 1.00 0.00 C ATOM 473 CD2 TYR A 29 12.260 -9.092 12.956 1.00 0.00 C ATOM 474 CE1 TYR A 29 12.337 -8.225 10.279 1.00 0.00 C ATOM 475 CE2 TYR A 29 11.375 -9.643 12.019 1.00 0.00 C ATOM 476 CZ TYR A 29 11.406 -9.207 10.676 1.00 0.00 C ATOM 477 OH TYR A 29 10.535 -9.734 9.769 1.00 0.00 O ATOM 0 H TYR A 29 14.583 -5.247 12.460 1.00 0.00 H new ATOM 0 HA TYR A 29 12.573 -6.208 14.392 1.00 0.00 H new ATOM 0 HB2 TYR A 29 15.097 -7.391 13.157 1.00 0.00 H new ATOM 0 HB3 TYR A 29 14.192 -8.175 14.437 1.00 0.00 H new ATOM 0 HD1 TYR A 29 13.943 -6.945 10.920 1.00 0.00 H new ATOM 0 HD2 TYR A 29 12.235 -9.425 13.983 1.00 0.00 H new ATOM 0 HE1 TYR A 29 12.368 -7.889 9.253 1.00 0.00 H new ATOM 0 HE2 TYR A 29 10.669 -10.401 12.324 1.00 0.00 H new ATOM 0 HH TYR A 29 10.945 -9.726 8.879 1.00 0.00 H new ATOM 487 N GLN A 30 15.173 -4.612 15.220 1.00 0.00 N ATOM 488 CA GLN A 30 16.009 -4.178 16.326 1.00 0.00 C ATOM 489 C GLN A 30 15.150 -3.776 17.521 1.00 0.00 C ATOM 490 O GLN A 30 15.578 -3.915 18.665 1.00 0.00 O ATOM 491 CB GLN A 30 16.901 -3.039 15.831 1.00 0.00 C ATOM 492 CG GLN A 30 17.946 -2.628 16.861 1.00 0.00 C ATOM 493 CD GLN A 30 18.923 -1.636 16.247 1.00 0.00 C ATOM 494 OE1 GLN A 30 19.005 -0.486 16.672 1.00 0.00 O ATOM 495 NE2 GLN A 30 19.672 -2.077 15.240 1.00 0.00 N ATOM 0 H GLN A 30 15.250 -4.033 14.384 1.00 0.00 H new ATOM 0 HA GLN A 30 16.646 -4.992 16.672 1.00 0.00 H new ATOM 0 HB2 GLN A 30 17.402 -3.346 14.913 1.00 0.00 H new ATOM 0 HB3 GLN A 30 16.281 -2.177 15.583 1.00 0.00 H new ATOM 0 HG2 GLN A 30 17.458 -2.181 17.727 1.00 0.00 H new ATOM 0 HG3 GLN A 30 18.483 -3.507 17.216 1.00 0.00 H new ATOM 0 HE21 GLN A 30 19.575 -3.039 14.915 1.00 0.00 H new ATOM 0 HE22 GLN A 30 20.343 -1.453 14.793 1.00 0.00 H new ATOM 504 N HIS A 31 13.938 -3.280 17.261 1.00 0.00 N ATOM 505 CA HIS A 31 12.994 -2.943 18.316 1.00 0.00 C ATOM 506 C HIS A 31 12.149 -4.145 18.732 1.00 0.00 C ATOM 507 O HIS A 31 11.773 -4.254 19.901 1.00 0.00 O ATOM 508 CB HIS A 31 12.103 -1.804 17.823 1.00 0.00 C ATOM 509 CG HIS A 31 12.871 -0.550 17.501 1.00 0.00 C ATOM 510 ND1 HIS A 31 13.234 -0.133 16.218 1.00 0.00 N ATOM 511 CD2 HIS A 31 13.325 0.354 18.415 1.00 0.00 C ATOM 512 CE1 HIS A 31 13.903 1.018 16.394 1.00 0.00 C ATOM 513 NE2 HIS A 31 13.975 1.334 17.700 1.00 0.00 N ATOM 0 H HIS A 31 13.590 -3.104 16.319 1.00 0.00 H new ATOM 0 HA HIS A 31 13.550 -2.631 19.200 1.00 0.00 H new ATOM 0 HB2 HIS A 31 11.564 -2.131 16.934 1.00 0.00 H new ATOM 0 HB3 HIS A 31 11.356 -1.580 18.584 1.00 0.00 H new ATOM 0 HD2 HIS A 31 13.200 0.310 19.487 1.00 0.00 H new ATOM 0 HE1 HIS A 31 14.326 1.610 15.596 1.00 0.00 H new ATOM 0 HE2 HIS A 31 14.432 2.157 18.092 1.00 0.00 H new ATOM 521 N LYS A 32 11.845 -5.049 17.793 1.00 0.00 N ATOM 522 CA LYS A 32 10.979 -6.193 18.066 1.00 0.00 C ATOM 523 C LYS A 32 11.724 -7.312 18.787 1.00 0.00 C ATOM 524 O LYS A 32 11.159 -7.987 19.646 1.00 0.00 O ATOM 525 CB LYS A 32 10.399 -6.707 16.748 1.00 0.00 C ATOM 526 CG LYS A 32 9.586 -5.617 16.048 1.00 0.00 C ATOM 527 CD LYS A 32 9.049 -6.150 14.722 1.00 0.00 C ATOM 528 CE LYS A 32 8.162 -5.111 14.040 1.00 0.00 C ATOM 529 NZ LYS A 32 8.907 -3.870 13.753 1.00 0.00 N ATOM 0 H LYS A 32 12.190 -5.006 16.834 1.00 0.00 H new ATOM 0 HA LYS A 32 10.176 -5.865 18.726 1.00 0.00 H new ATOM 0 HB2 LYS A 32 11.207 -7.040 16.096 1.00 0.00 H new ATOM 0 HB3 LYS A 32 9.766 -7.573 16.938 1.00 0.00 H new ATOM 0 HG2 LYS A 32 8.760 -5.300 16.685 1.00 0.00 H new ATOM 0 HG3 LYS A 32 10.209 -4.740 15.873 1.00 0.00 H new ATOM 0 HD2 LYS A 32 9.880 -6.412 14.067 1.00 0.00 H new ATOM 0 HD3 LYS A 32 8.480 -7.063 14.896 1.00 0.00 H new ATOM 0 HE2 LYS A 32 7.766 -5.522 13.111 1.00 0.00 H new ATOM 0 HE3 LYS A 32 7.308 -4.885 14.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 8.512 -3.416 12.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 8.826 -3.222 14.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 9.909 -4.096 13.590 1.00 0.00 H new ATOM 543 N VAL A 33 12.996 -7.512 18.440 1.00 0.00 N ATOM 544 CA VAL A 33 13.842 -8.530 19.045 1.00 0.00 C ATOM 545 C VAL A 33 14.191 -8.115 20.464 1.00 0.00 C ATOM 546 O VAL A 33 14.229 -8.949 21.363 1.00 0.00 O ATOM 547 CB VAL A 33 15.118 -8.658 18.211 1.00 0.00 C ATOM 548 CG1 VAL A 33 16.034 -9.730 18.753 1.00 0.00 C ATOM 549 CG2 VAL A 33 14.848 -9.168 16.806 1.00 0.00 C ATOM 0 H VAL A 33 13.469 -6.963 17.722 1.00 0.00 H new ATOM 0 HA VAL A 33 13.322 -9.488 19.074 1.00 0.00 H new ATOM 0 HB VAL A 33 15.541 -7.654 18.233 1.00 0.00 H new ATOM 0 HG11 VAL A 33 16.929 -9.791 18.134 1.00 0.00 H new ATOM 0 HG12 VAL A 33 16.317 -9.484 19.777 1.00 0.00 H new ATOM 0 HG13 VAL A 33 15.518 -10.690 18.740 1.00 0.00 H new ATOM 0 HG21 VAL A 33 15.788 -9.240 16.258 1.00 0.00 H new ATOM 0 HG22 VAL A 33 14.383 -10.152 16.859 1.00 0.00 H new ATOM 0 HG23 VAL A 33 14.179 -8.478 16.291 1.00 0.00 H new ATOM 559 N ALA A 34 14.442 -6.816 20.659 1.00 0.00 N ATOM 560 CA ALA A 34 14.749 -6.285 21.972 1.00 0.00 C ATOM 561 C ALA A 34 13.562 -6.434 22.920 1.00 0.00 C ATOM 562 O ALA A 34 13.746 -6.448 24.136 1.00 0.00 O ATOM 563 CB ALA A 34 15.139 -4.816 21.824 1.00 0.00 C ATOM 0 H ALA A 34 14.436 -6.118 19.915 1.00 0.00 H new ATOM 0 HA ALA A 34 15.578 -6.847 22.403 1.00 0.00 H new ATOM 0 HB1 ALA A 34 15.373 -4.401 22.804 1.00 0.00 H new ATOM 0 HB2 ALA A 34 16.013 -4.735 21.177 1.00 0.00 H new ATOM 0 HB3 ALA A 34 14.310 -4.262 21.384 1.00 0.00 H new ATOM 569 N SER A 35 12.341 -6.548 22.383 1.00 0.00 N ATOM 570 CA SER A 35 11.150 -6.678 23.208 1.00 0.00 C ATOM 571 C SER A 35 11.044 -8.077 23.803 1.00 0.00 C ATOM 572 O SER A 35 10.767 -8.230 24.992 1.00 0.00 O ATOM 573 CB SER A 35 9.916 -6.375 22.357 1.00 0.00 C ATOM 574 OG SER A 35 8.762 -6.365 23.174 1.00 0.00 O ATOM 0 H SER A 35 12.160 -6.552 21.379 1.00 0.00 H new ATOM 0 HA SER A 35 11.215 -5.969 24.033 1.00 0.00 H new ATOM 0 HB2 SER A 35 10.031 -5.410 21.863 1.00 0.00 H new ATOM 0 HB3 SER A 35 9.811 -7.124 21.572 1.00 0.00 H new ATOM 0 HG SER A 35 7.974 -6.169 22.625 1.00 0.00 H new ATOM 580 N LEU A 36 11.266 -9.110 22.985 1.00 0.00 N ATOM 581 CA LEU A 36 11.145 -10.479 23.467 1.00 0.00 C ATOM 582 C LEU A 36 12.406 -10.931 24.190 1.00 0.00 C ATOM 583 O LEU A 36 12.325 -11.782 25.073 1.00 0.00 O ATOM 584 CB LEU A 36 10.769 -11.415 22.313 1.00 0.00 C ATOM 585 CG LEU A 36 11.892 -11.635 21.290 1.00 0.00 C ATOM 586 CD1 LEU A 36 12.821 -12.785 21.686 1.00 0.00 C ATOM 587 CD2 LEU A 36 11.270 -12.016 19.952 1.00 0.00 C ATOM 0 H LEU A 36 11.526 -9.022 22.003 1.00 0.00 H new ATOM 0 HA LEU A 36 10.341 -10.518 24.202 1.00 0.00 H new ATOM 0 HB2 LEU A 36 10.473 -12.380 22.724 1.00 0.00 H new ATOM 0 HB3 LEU A 36 9.899 -11.008 21.798 1.00 0.00 H new ATOM 0 HG LEU A 36 12.466 -10.710 21.239 1.00 0.00 H new ATOM 0 HD11 LEU A 36 13.599 -12.901 20.931 1.00 0.00 H new ATOM 0 HD12 LEU A 36 13.281 -12.566 22.650 1.00 0.00 H new ATOM 0 HD13 LEU A 36 12.246 -13.708 21.760 1.00 0.00 H new ATOM 0 HD21 LEU A 36 12.058 -12.175 19.216 1.00 0.00 H new ATOM 0 HD22 LEU A 36 10.691 -12.932 20.068 1.00 0.00 H new ATOM 0 HD23 LEU A 36 10.615 -11.213 19.614 1.00 0.00 H new ATOM 599 N VAL A 37 13.570 -10.378 23.836 1.00 0.00 N ATOM 600 CA VAL A 37 14.815 -10.799 24.461 1.00 0.00 C ATOM 601 C VAL A 37 15.048 -10.077 25.790 1.00 0.00 C ATOM 602 O VAL A 37 15.861 -10.525 26.594 1.00 0.00 O ATOM 603 CB VAL A 37 15.966 -10.655 23.461 1.00 0.00 C ATOM 604 CG1 VAL A 37 16.512 -9.239 23.398 1.00 0.00 C ATOM 605 CG2 VAL A 37 17.111 -11.589 23.836 1.00 0.00 C ATOM 0 H VAL A 37 13.670 -9.649 23.130 1.00 0.00 H new ATOM 0 HA VAL A 37 14.755 -11.855 24.725 1.00 0.00 H new ATOM 0 HB VAL A 37 15.557 -10.912 22.484 1.00 0.00 H new ATOM 0 HG11 VAL A 37 17.325 -9.195 22.674 1.00 0.00 H new ATOM 0 HG12 VAL A 37 15.718 -8.556 23.095 1.00 0.00 H new ATOM 0 HG13 VAL A 37 16.885 -8.949 24.380 1.00 0.00 H new ATOM 0 HG21 VAL A 37 17.923 -11.477 23.117 1.00 0.00 H new ATOM 0 HG22 VAL A 37 17.473 -11.339 24.833 1.00 0.00 H new ATOM 0 HG23 VAL A 37 16.758 -12.620 23.826 1.00 0.00 H new ATOM 615 N SER A 38 14.340 -8.968 26.036 1.00 0.00 N ATOM 616 CA SER A 38 14.388 -8.294 27.329 1.00 0.00 C ATOM 617 C SER A 38 13.732 -9.173 28.396 1.00 0.00 C ATOM 618 O SER A 38 13.849 -8.914 29.592 1.00 0.00 O ATOM 619 CB SER A 38 13.680 -6.943 27.229 1.00 0.00 C ATOM 620 OG SER A 38 13.780 -6.244 28.450 1.00 0.00 O ATOM 0 H SER A 38 13.728 -8.522 25.353 1.00 0.00 H new ATOM 0 HA SER A 38 15.426 -8.123 27.615 1.00 0.00 H new ATOM 0 HB2 SER A 38 14.122 -6.352 26.427 1.00 0.00 H new ATOM 0 HB3 SER A 38 12.631 -7.093 26.973 1.00 0.00 H new ATOM 0 HG SER A 38 13.879 -6.884 29.186 1.00 0.00 H new ATOM 626 N ARG A 39 13.032 -10.230 27.962 1.00 0.00 N ATOM 627 CA ARG A 39 12.402 -11.194 28.854 1.00 0.00 C ATOM 628 C ARG A 39 13.380 -12.293 29.265 1.00 0.00 C ATOM 629 O ARG A 39 13.035 -13.148 30.079 1.00 0.00 O ATOM 630 CB ARG A 39 11.168 -11.791 28.175 1.00 0.00 C ATOM 631 CG ARG A 39 10.242 -10.692 27.647 1.00 0.00 C ATOM 632 CD ARG A 39 9.036 -11.309 26.940 1.00 0.00 C ATOM 633 NE ARG A 39 8.215 -10.271 26.306 1.00 0.00 N ATOM 634 CZ ARG A 39 7.057 -10.508 25.684 1.00 0.00 C ATOM 635 NH1 ARG A 39 6.562 -11.742 25.605 1.00 0.00 N ATOM 636 NH2 ARG A 39 6.384 -9.498 25.136 1.00 0.00 N ATOM 0 H ARG A 39 12.890 -10.435 26.973 1.00 0.00 H new ATOM 0 HA ARG A 39 12.095 -10.677 29.763 1.00 0.00 H new ATOM 0 HB2 ARG A 39 11.478 -12.436 27.352 1.00 0.00 H new ATOM 0 HB3 ARG A 39 10.626 -12.417 28.884 1.00 0.00 H new ATOM 0 HG2 ARG A 39 9.906 -10.063 28.471 1.00 0.00 H new ATOM 0 HG3 ARG A 39 10.787 -10.048 26.956 1.00 0.00 H new ATOM 0 HD2 ARG A 39 9.375 -12.021 26.187 1.00 0.00 H new ATOM 0 HD3 ARG A 39 8.434 -11.867 27.658 1.00 0.00 H new ATOM 0 HE ARG A 39 8.550 -9.308 26.343 1.00 0.00 H new ATOM 0 HH11 ARG A 39 7.069 -12.522 26.023 1.00 0.00 H new ATOM 0 HH12 ARG A 39 5.676 -11.907 25.127 1.00 0.00 H new ATOM 0 HH21 ARG A 39 6.753 -8.549 25.192 1.00 0.00 H new ATOM 0 HH22 ARG A 39 5.499 -9.674 24.660 1.00 0.00 H new ATOM 650 N TYR A 40 14.599 -12.283 28.711 1.00 0.00 N ATOM 651 CA TYR A 40 15.610 -13.293 29.001 1.00 0.00 C ATOM 652 C TYR A 40 16.905 -12.680 29.542 1.00 0.00 C ATOM 653 O TYR A 40 17.723 -13.397 30.114 1.00 0.00 O ATOM 654 CB TYR A 40 15.866 -14.122 27.742 1.00 0.00 C ATOM 655 CG TYR A 40 14.649 -14.895 27.278 1.00 0.00 C ATOM 656 CD1 TYR A 40 14.331 -16.120 27.883 1.00 0.00 C ATOM 657 CD2 TYR A 40 13.847 -14.398 26.239 1.00 0.00 C ATOM 658 CE1 TYR A 40 13.202 -16.838 27.464 1.00 0.00 C ATOM 659 CE2 TYR A 40 12.720 -15.113 25.808 1.00 0.00 C ATOM 660 CZ TYR A 40 12.392 -16.337 26.426 1.00 0.00 C ATOM 661 OH TYR A 40 11.291 -17.037 26.025 1.00 0.00 O ATOM 0 H TYR A 40 14.907 -11.571 28.049 1.00 0.00 H new ATOM 0 HA TYR A 40 15.233 -13.943 29.791 1.00 0.00 H new ATOM 0 HB2 TYR A 40 16.196 -13.461 26.940 1.00 0.00 H new ATOM 0 HB3 TYR A 40 16.680 -14.821 27.934 1.00 0.00 H new ATOM 0 HD1 TYR A 40 14.956 -16.510 28.672 1.00 0.00 H new ATOM 0 HD2 TYR A 40 14.099 -13.459 25.768 1.00 0.00 H new ATOM 0 HE1 TYR A 40 12.953 -17.776 27.938 1.00 0.00 H new ATOM 0 HE2 TYR A 40 12.107 -14.728 25.007 1.00 0.00 H new ATOM 0 HH TYR A 40 10.842 -16.553 25.301 1.00 0.00 H new ATOM 671 N VAL A 41 17.099 -11.369 29.374 1.00 0.00 N ATOM 672 CA VAL A 41 18.239 -10.642 29.931 1.00 0.00 C ATOM 673 C VAL A 41 17.783 -9.258 30.386 1.00 0.00 C ATOM 674 O VAL A 41 16.799 -8.734 29.862 1.00 0.00 O ATOM 675 CB VAL A 41 19.383 -10.516 28.916 1.00 0.00 C ATOM 676 CG1 VAL A 41 20.127 -11.844 28.752 1.00 0.00 C ATOM 677 CG2 VAL A 41 18.888 -10.051 27.546 1.00 0.00 C ATOM 0 H VAL A 41 16.461 -10.778 28.841 1.00 0.00 H new ATOM 0 HA VAL A 41 18.620 -11.205 30.783 1.00 0.00 H new ATOM 0 HB VAL A 41 20.063 -9.763 29.314 1.00 0.00 H new ATOM 0 HG11 VAL A 41 20.932 -11.723 28.027 1.00 0.00 H new ATOM 0 HG12 VAL A 41 20.546 -12.147 29.712 1.00 0.00 H new ATOM 0 HG13 VAL A 41 19.434 -12.608 28.401 1.00 0.00 H new ATOM 0 HG21 VAL A 41 19.732 -9.976 26.860 1.00 0.00 H new ATOM 0 HG22 VAL A 41 18.167 -10.770 27.157 1.00 0.00 H new ATOM 0 HG23 VAL A 41 18.412 -9.075 27.643 1.00 0.00 H new ATOM 687 N PRO A 42 18.483 -8.652 31.355 1.00 0.00 N ATOM 688 CA PRO A 42 18.148 -7.340 31.884 1.00 0.00 C ATOM 689 C PRO A 42 18.355 -6.255 30.829 1.00 0.00 C ATOM 690 O PRO A 42 19.016 -6.477 29.817 1.00 0.00 O ATOM 691 CB PRO A 42 19.077 -7.138 33.084 1.00 0.00 C ATOM 692 CG PRO A 42 20.292 -7.983 32.714 1.00 0.00 C ATOM 693 CD PRO A 42 19.657 -9.184 32.019 1.00 0.00 C ATOM 0 HA PRO A 42 17.100 -7.275 32.176 1.00 0.00 H new ATOM 0 HB2 PRO A 42 19.340 -6.089 33.220 1.00 0.00 H new ATOM 0 HB3 PRO A 42 18.617 -7.475 34.013 1.00 0.00 H new ATOM 0 HG2 PRO A 42 20.974 -7.446 32.055 1.00 0.00 H new ATOM 0 HG3 PRO A 42 20.864 -8.278 33.593 1.00 0.00 H new ATOM 0 HD2 PRO A 42 20.345 -9.636 31.304 1.00 0.00 H new ATOM 0 HD3 PRO A 42 19.388 -9.959 32.737 1.00 0.00 H new ATOM 701 N SER A 43 17.785 -5.074 31.072 1.00 0.00 N ATOM 702 CA SER A 43 17.818 -3.968 30.125 1.00 0.00 C ATOM 703 C SER A 43 19.228 -3.419 29.915 1.00 0.00 C ATOM 704 O SER A 43 19.437 -2.603 29.018 1.00 0.00 O ATOM 705 CB SER A 43 16.884 -2.862 30.615 1.00 0.00 C ATOM 706 OG SER A 43 17.308 -2.404 31.885 1.00 0.00 O ATOM 0 H SER A 43 17.286 -4.861 31.936 1.00 0.00 H new ATOM 0 HA SER A 43 17.483 -4.343 29.158 1.00 0.00 H new ATOM 0 HB2 SER A 43 16.879 -2.036 29.904 1.00 0.00 H new ATOM 0 HB3 SER A 43 15.862 -3.237 30.676 1.00 0.00 H new ATOM 0 HG SER A 43 16.707 -1.694 32.194 1.00 0.00 H new ATOM 712 N GLY A 44 20.198 -3.851 30.728 1.00 0.00 N ATOM 713 CA GLY A 44 21.586 -3.436 30.574 1.00 0.00 C ATOM 714 C GLY A 44 22.353 -4.345 29.618 1.00 0.00 C ATOM 715 O GLY A 44 23.398 -3.951 29.107 1.00 0.00 O ATOM 0 H GLY A 44 20.039 -4.493 31.504 1.00 0.00 H new ATOM 0 HA2 GLY A 44 21.619 -2.411 30.204 1.00 0.00 H new ATOM 0 HA3 GLY A 44 22.075 -3.439 31.548 1.00 0.00 H new ATOM 719 N ASP A 45 21.840 -5.556 29.371 1.00 0.00 N ATOM 720 CA ASP A 45 22.485 -6.529 28.498 1.00 0.00 C ATOM 721 C ASP A 45 21.628 -6.833 27.271 1.00 0.00 C ATOM 722 O ASP A 45 22.063 -7.547 26.369 1.00 0.00 O ATOM 723 CB ASP A 45 22.767 -7.805 29.289 1.00 0.00 C ATOM 724 CG ASP A 45 23.734 -7.559 30.446 1.00 0.00 C ATOM 725 OD1 ASP A 45 24.714 -6.804 30.245 1.00 0.00 O ATOM 726 OD2 ASP A 45 23.489 -8.129 31.532 1.00 0.00 O ATOM 0 H ASP A 45 20.963 -5.884 29.775 1.00 0.00 H new ATOM 0 HA ASP A 45 23.424 -6.108 28.139 1.00 0.00 H new ATOM 0 HB2 ASP A 45 21.831 -8.205 29.678 1.00 0.00 H new ATOM 0 HB3 ASP A 45 23.184 -8.560 28.622 1.00 0.00 H new ATOM 731 N VAL A 46 20.406 -6.295 27.223 1.00 0.00 N ATOM 732 CA VAL A 46 19.483 -6.579 26.136 1.00 0.00 C ATOM 733 C VAL A 46 19.939 -6.032 24.775 1.00 0.00 C ATOM 734 O VAL A 46 19.634 -6.671 23.769 1.00 0.00 O ATOM 735 CB VAL A 46 18.074 -6.097 26.517 1.00 0.00 C ATOM 736 CG1 VAL A 46 17.914 -4.581 26.478 1.00 0.00 C ATOM 737 CG2 VAL A 46 17.035 -6.704 25.585 1.00 0.00 C ATOM 0 H VAL A 46 20.038 -5.659 27.930 1.00 0.00 H new ATOM 0 HA VAL A 46 19.464 -7.660 25.999 1.00 0.00 H new ATOM 0 HB VAL A 46 17.924 -6.424 27.546 1.00 0.00 H new ATOM 0 HG11 VAL A 46 16.895 -4.315 26.758 1.00 0.00 H new ATOM 0 HG12 VAL A 46 18.614 -4.123 27.177 1.00 0.00 H new ATOM 0 HG13 VAL A 46 18.119 -4.219 25.470 1.00 0.00 H new ATOM 0 HG21 VAL A 46 16.043 -6.353 25.868 1.00 0.00 H new ATOM 0 HG22 VAL A 46 17.247 -6.404 24.559 1.00 0.00 H new ATOM 0 HG23 VAL A 46 17.070 -7.791 25.660 1.00 0.00 H new ATOM 747 N PRO A 47 20.646 -4.892 24.669 1.00 0.00 N ATOM 748 CA PRO A 47 21.000 -4.358 23.362 1.00 0.00 C ATOM 749 C PRO A 47 22.180 -5.118 22.760 1.00 0.00 C ATOM 750 O PRO A 47 22.357 -5.122 21.542 1.00 0.00 O ATOM 751 CB PRO A 47 21.364 -2.899 23.620 1.00 0.00 C ATOM 752 CG PRO A 47 21.986 -2.955 25.015 1.00 0.00 C ATOM 753 CD PRO A 47 21.148 -4.020 25.723 1.00 0.00 C ATOM 0 HA PRO A 47 20.183 -4.456 22.647 1.00 0.00 H new ATOM 0 HB2 PRO A 47 22.066 -2.518 22.878 1.00 0.00 H new ATOM 0 HB3 PRO A 47 20.488 -2.251 23.592 1.00 0.00 H new ATOM 0 HG2 PRO A 47 23.040 -3.231 24.976 1.00 0.00 H new ATOM 0 HG3 PRO A 47 21.927 -1.992 25.522 1.00 0.00 H new ATOM 0 HD2 PRO A 47 21.750 -4.579 26.440 1.00 0.00 H new ATOM 0 HD3 PRO A 47 20.328 -3.567 26.280 1.00 0.00 H new ATOM 761 N ASP A 48 22.990 -5.764 23.601 1.00 0.00 N ATOM 762 CA ASP A 48 24.162 -6.490 23.137 1.00 0.00 C ATOM 763 C ASP A 48 23.764 -7.872 22.632 1.00 0.00 C ATOM 764 O ASP A 48 24.415 -8.420 21.744 1.00 0.00 O ATOM 765 CB ASP A 48 25.167 -6.597 24.282 1.00 0.00 C ATOM 766 CG ASP A 48 26.496 -7.173 23.799 1.00 0.00 C ATOM 767 OD1 ASP A 48 27.183 -6.467 23.028 1.00 0.00 O ATOM 768 OD2 ASP A 48 26.815 -8.313 24.204 1.00 0.00 O ATOM 0 H ASP A 48 22.850 -5.796 24.611 1.00 0.00 H new ATOM 0 HA ASP A 48 24.622 -5.953 22.308 1.00 0.00 H new ATOM 0 HB2 ASP A 48 25.332 -5.612 24.718 1.00 0.00 H new ATOM 0 HB3 ASP A 48 24.758 -7.230 25.070 1.00 0.00 H new ATOM 773 N VAL A 49 22.690 -8.438 23.193 1.00 0.00 N ATOM 774 CA VAL A 49 22.196 -9.736 22.764 1.00 0.00 C ATOM 775 C VAL A 49 21.435 -9.599 21.449 1.00 0.00 C ATOM 776 O VAL A 49 21.405 -10.540 20.662 1.00 0.00 O ATOM 777 CB VAL A 49 21.332 -10.340 23.876 1.00 0.00 C ATOM 778 CG1 VAL A 49 20.690 -11.648 23.426 1.00 0.00 C ATOM 779 CG2 VAL A 49 22.200 -10.645 25.094 1.00 0.00 C ATOM 0 H VAL A 49 22.150 -8.011 23.946 1.00 0.00 H new ATOM 0 HA VAL A 49 23.029 -10.414 22.581 1.00 0.00 H new ATOM 0 HB VAL A 49 20.555 -9.615 24.119 1.00 0.00 H new ATOM 0 HG11 VAL A 49 20.083 -12.053 24.236 1.00 0.00 H new ATOM 0 HG12 VAL A 49 20.059 -11.463 22.557 1.00 0.00 H new ATOM 0 HG13 VAL A 49 21.469 -12.364 23.163 1.00 0.00 H new ATOM 0 HG21 VAL A 49 21.582 -11.074 25.883 1.00 0.00 H new ATOM 0 HG22 VAL A 49 22.980 -11.355 24.817 1.00 0.00 H new ATOM 0 HG23 VAL A 49 22.659 -9.724 25.453 1.00 0.00 H new ATOM 789 N VAL A 50 20.822 -8.437 21.194 1.00 0.00 N ATOM 790 CA VAL A 50 20.181 -8.176 19.911 1.00 0.00 C ATOM 791 C VAL A 50 21.262 -8.034 18.843 1.00 0.00 C ATOM 792 O VAL A 50 21.066 -8.455 17.707 1.00 0.00 O ATOM 793 CB VAL A 50 19.333 -6.905 20.006 1.00 0.00 C ATOM 794 CG1 VAL A 50 18.841 -6.459 18.630 1.00 0.00 C ATOM 795 CG2 VAL A 50 18.103 -7.170 20.868 1.00 0.00 C ATOM 0 H VAL A 50 20.759 -7.668 21.861 1.00 0.00 H new ATOM 0 HA VAL A 50 19.522 -9.002 19.642 1.00 0.00 H new ATOM 0 HB VAL A 50 19.961 -6.127 20.440 1.00 0.00 H new ATOM 0 HG11 VAL A 50 18.242 -5.554 18.733 1.00 0.00 H new ATOM 0 HG12 VAL A 50 19.697 -6.256 17.986 1.00 0.00 H new ATOM 0 HG13 VAL A 50 18.233 -7.248 18.188 1.00 0.00 H new ATOM 0 HG21 VAL A 50 17.502 -6.263 20.933 1.00 0.00 H new ATOM 0 HG22 VAL A 50 17.510 -7.967 20.420 1.00 0.00 H new ATOM 0 HG23 VAL A 50 18.417 -7.470 21.868 1.00 0.00 H new ATOM 805 N GLN A 51 22.409 -7.446 19.199 1.00 0.00 N ATOM 806 CA GLN A 51 23.495 -7.288 18.247 1.00 0.00 C ATOM 807 C GLN A 51 24.125 -8.645 17.956 1.00 0.00 C ATOM 808 O GLN A 51 24.412 -8.948 16.801 1.00 0.00 O ATOM 809 CB GLN A 51 24.526 -6.303 18.798 1.00 0.00 C ATOM 810 CG GLN A 51 25.645 -6.060 17.781 1.00 0.00 C ATOM 811 CD GLN A 51 26.633 -4.998 18.251 1.00 0.00 C ATOM 812 OE1 GLN A 51 26.494 -4.431 19.333 1.00 0.00 O ATOM 813 NE2 GLN A 51 27.645 -4.718 17.437 1.00 0.00 N ATOM 0 H GLN A 51 22.601 -7.078 20.131 1.00 0.00 H new ATOM 0 HA GLN A 51 23.109 -6.885 17.311 1.00 0.00 H new ATOM 0 HB2 GLN A 51 24.039 -5.359 19.042 1.00 0.00 H new ATOM 0 HB3 GLN A 51 24.949 -6.692 19.724 1.00 0.00 H new ATOM 0 HG2 GLN A 51 26.177 -6.994 17.600 1.00 0.00 H new ATOM 0 HG3 GLN A 51 25.209 -5.752 16.831 1.00 0.00 H new ATOM 0 HE21 GLN A 51 27.733 -5.206 16.546 1.00 0.00 H new ATOM 0 HE22 GLN A 51 28.334 -4.015 17.703 1.00 0.00 H new ATOM 822 N GLU A 52 24.341 -9.474 18.981 1.00 0.00 N ATOM 823 CA GLU A 52 24.925 -10.787 18.762 1.00 0.00 C ATOM 824 C GLU A 52 23.942 -11.671 17.995 1.00 0.00 C ATOM 825 O GLU A 52 24.361 -12.550 17.247 1.00 0.00 O ATOM 826 CB GLU A 52 25.310 -11.424 20.101 1.00 0.00 C ATOM 827 CG GLU A 52 26.019 -12.760 19.870 1.00 0.00 C ATOM 828 CD GLU A 52 26.506 -13.395 21.173 1.00 0.00 C ATOM 829 OE1 GLU A 52 26.947 -12.640 22.068 1.00 0.00 O ATOM 830 OE2 GLU A 52 26.434 -14.643 21.260 1.00 0.00 O ATOM 0 H GLU A 52 24.122 -9.258 19.954 1.00 0.00 H new ATOM 0 HA GLU A 52 25.831 -10.683 18.165 1.00 0.00 H new ATOM 0 HB2 GLU A 52 25.962 -10.750 20.658 1.00 0.00 H new ATOM 0 HB3 GLU A 52 24.418 -11.578 20.708 1.00 0.00 H new ATOM 0 HG2 GLU A 52 25.339 -13.447 19.366 1.00 0.00 H new ATOM 0 HG3 GLU A 52 26.868 -12.607 19.204 1.00 0.00 H new ATOM 837 N ALA A 53 22.638 -11.446 18.172 1.00 0.00 N ATOM 838 CA ALA A 53 21.633 -12.202 17.451 1.00 0.00 C ATOM 839 C ALA A 53 21.657 -11.836 15.969 1.00 0.00 C ATOM 840 O ALA A 53 21.453 -12.705 15.128 1.00 0.00 O ATOM 841 CB ALA A 53 20.261 -11.938 18.066 1.00 0.00 C ATOM 0 H ALA A 53 22.262 -10.745 18.810 1.00 0.00 H new ATOM 0 HA ALA A 53 21.849 -13.267 17.531 1.00 0.00 H new ATOM 0 HB1 ALA A 53 19.504 -12.506 17.525 1.00 0.00 H new ATOM 0 HB2 ALA A 53 20.266 -12.245 19.112 1.00 0.00 H new ATOM 0 HB3 ALA A 53 20.032 -10.874 18.001 1.00 0.00 H new ATOM 847 N PHE A 54 21.904 -10.565 15.635 1.00 0.00 N ATOM 848 CA PHE A 54 22.014 -10.145 14.244 1.00 0.00 C ATOM 849 C PHE A 54 23.335 -10.584 13.616 1.00 0.00 C ATOM 850 O PHE A 54 23.373 -10.888 12.424 1.00 0.00 O ATOM 851 CB PHE A 54 21.852 -8.625 14.160 1.00 0.00 C ATOM 852 CG PHE A 54 20.489 -8.105 14.564 1.00 0.00 C ATOM 853 CD1 PHE A 54 19.341 -8.888 14.363 1.00 0.00 C ATOM 854 CD2 PHE A 54 20.367 -6.830 15.137 1.00 0.00 C ATOM 855 CE1 PHE A 54 18.081 -8.400 14.734 1.00 0.00 C ATOM 856 CE2 PHE A 54 19.104 -6.337 15.493 1.00 0.00 C ATOM 857 CZ PHE A 54 17.965 -7.127 15.296 1.00 0.00 C ATOM 0 H PHE A 54 22.031 -9.813 16.313 1.00 0.00 H new ATOM 0 HA PHE A 54 21.220 -10.630 13.676 1.00 0.00 H new ATOM 0 HB2 PHE A 54 22.605 -8.159 14.795 1.00 0.00 H new ATOM 0 HB3 PHE A 54 22.057 -8.309 13.137 1.00 0.00 H new ATOM 0 HD1 PHE A 54 19.429 -9.869 13.921 1.00 0.00 H new ATOM 0 HD2 PHE A 54 21.248 -6.227 15.304 1.00 0.00 H new ATOM 0 HE1 PHE A 54 17.201 -9.008 14.585 1.00 0.00 H new ATOM 0 HE2 PHE A 54 19.010 -5.349 15.919 1.00 0.00 H new ATOM 0 HZ PHE A 54 16.993 -6.751 15.580 1.00 0.00 H new ATOM 867 N ILE A 55 24.424 -10.628 14.391 1.00 0.00 N ATOM 868 CA ILE A 55 25.702 -11.091 13.867 1.00 0.00 C ATOM 869 C ILE A 55 25.622 -12.594 13.625 1.00 0.00 C ATOM 870 O ILE A 55 26.148 -13.098 12.632 1.00 0.00 O ATOM 871 CB ILE A 55 26.823 -10.742 14.859 1.00 0.00 C ATOM 872 CG1 ILE A 55 26.972 -9.218 14.977 1.00 0.00 C ATOM 873 CG2 ILE A 55 28.145 -11.364 14.392 1.00 0.00 C ATOM 874 CD1 ILE A 55 27.926 -8.833 16.110 1.00 0.00 C ATOM 0 H ILE A 55 24.441 -10.351 15.372 1.00 0.00 H new ATOM 0 HA ILE A 55 25.926 -10.598 12.921 1.00 0.00 H new ATOM 0 HB ILE A 55 26.565 -11.146 15.838 1.00 0.00 H new ATOM 0 HG12 ILE A 55 27.343 -8.814 14.035 1.00 0.00 H new ATOM 0 HG13 ILE A 55 25.995 -8.769 15.154 1.00 0.00 H new ATOM 0 HG21 ILE A 55 28.935 -11.113 15.099 1.00 0.00 H new ATOM 0 HG22 ILE A 55 28.038 -12.447 14.337 1.00 0.00 H new ATOM 0 HG23 ILE A 55 28.402 -10.974 13.407 1.00 0.00 H new ATOM 0 HD11 ILE A 55 28.007 -7.747 16.164 1.00 0.00 H new ATOM 0 HD12 ILE A 55 27.541 -9.216 17.055 1.00 0.00 H new ATOM 0 HD13 ILE A 55 28.910 -9.261 15.919 1.00 0.00 H new ATOM 886 N LYS A 56 24.957 -13.308 14.537 1.00 0.00 N ATOM 887 CA LYS A 56 24.792 -14.749 14.442 1.00 0.00 C ATOM 888 C LYS A 56 23.749 -15.102 13.388 1.00 0.00 C ATOM 889 O LYS A 56 23.847 -16.152 12.754 1.00 0.00 O ATOM 890 CB LYS A 56 24.379 -15.246 15.830 1.00 0.00 C ATOM 891 CG LYS A 56 24.275 -16.769 15.891 1.00 0.00 C ATOM 892 CD LYS A 56 23.852 -17.199 17.297 1.00 0.00 C ATOM 893 CE LYS A 56 24.900 -16.778 18.327 1.00 0.00 C ATOM 894 NZ LYS A 56 24.493 -17.165 19.690 1.00 0.00 N ATOM 0 H LYS A 56 24.519 -12.896 15.361 1.00 0.00 H new ATOM 0 HA LYS A 56 25.720 -15.230 14.132 1.00 0.00 H new ATOM 0 HB2 LYS A 56 25.105 -14.903 16.567 1.00 0.00 H new ATOM 0 HB3 LYS A 56 23.419 -14.807 16.100 1.00 0.00 H new ATOM 0 HG2 LYS A 56 23.550 -17.124 15.158 1.00 0.00 H new ATOM 0 HG3 LYS A 56 25.234 -17.220 15.635 1.00 0.00 H new ATOM 0 HD2 LYS A 56 22.890 -16.752 17.546 1.00 0.00 H new ATOM 0 HD3 LYS A 56 23.718 -18.280 17.328 1.00 0.00 H new ATOM 0 HE2 LYS A 56 25.857 -17.240 18.085 1.00 0.00 H new ATOM 0 HE3 LYS A 56 25.046 -15.699 18.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 25.215 -16.852 20.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 23.583 -16.718 19.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 24.394 -18.199 19.742 1.00 0.00 H new ATOM 908 N ALA A 57 22.755 -14.233 13.193 1.00 0.00 N ATOM 909 CA ALA A 57 21.721 -14.467 12.205 1.00 0.00 C ATOM 910 C ALA A 57 22.289 -14.326 10.802 1.00 0.00 C ATOM 911 O ALA A 57 21.997 -15.158 9.953 1.00 0.00 O ATOM 912 CB ALA A 57 20.566 -13.488 12.417 1.00 0.00 C ATOM 0 H ALA A 57 22.652 -13.361 13.712 1.00 0.00 H new ATOM 0 HA ALA A 57 21.344 -15.483 12.321 1.00 0.00 H new ATOM 0 HB1 ALA A 57 19.793 -13.670 11.671 1.00 0.00 H new ATOM 0 HB2 ALA A 57 20.148 -13.629 13.414 1.00 0.00 H new ATOM 0 HB3 ALA A 57 20.932 -12.466 12.318 1.00 0.00 H new ATOM 918 N TYR A 58 23.091 -13.292 10.538 1.00 0.00 N ATOM 919 CA TYR A 58 23.596 -13.054 9.193 1.00 0.00 C ATOM 920 C TYR A 58 24.413 -14.239 8.688 1.00 0.00 C ATOM 921 O TYR A 58 24.326 -14.605 7.516 1.00 0.00 O ATOM 922 CB TYR A 58 24.472 -11.805 9.210 1.00 0.00 C ATOM 923 CG TYR A 58 24.961 -11.401 7.840 1.00 0.00 C ATOM 924 CD1 TYR A 58 24.042 -10.958 6.873 1.00 0.00 C ATOM 925 CD2 TYR A 58 26.327 -11.472 7.537 1.00 0.00 C ATOM 926 CE1 TYR A 58 24.496 -10.563 5.608 1.00 0.00 C ATOM 927 CE2 TYR A 58 26.784 -11.084 6.269 1.00 0.00 C ATOM 928 CZ TYR A 58 25.867 -10.625 5.299 1.00 0.00 C ATOM 929 OH TYR A 58 26.309 -10.241 4.070 1.00 0.00 O ATOM 0 H TYR A 58 23.400 -12.614 11.234 1.00 0.00 H new ATOM 0 HA TYR A 58 22.748 -12.919 8.522 1.00 0.00 H new ATOM 0 HB2 TYR A 58 23.908 -10.980 9.645 1.00 0.00 H new ATOM 0 HB3 TYR A 58 25.331 -11.981 9.858 1.00 0.00 H new ATOM 0 HD1 TYR A 58 22.988 -10.922 7.105 1.00 0.00 H new ATOM 0 HD2 TYR A 58 27.028 -11.825 8.279 1.00 0.00 H new ATOM 0 HE1 TYR A 58 23.792 -10.210 4.869 1.00 0.00 H new ATOM 0 HE2 TYR A 58 27.837 -11.136 6.035 1.00 0.00 H new ATOM 0 HH TYR A 58 27.282 -10.346 4.025 1.00 0.00 H new ATOM 939 N ARG A 59 25.210 -14.841 9.577 1.00 0.00 N ATOM 940 CA ARG A 59 26.052 -15.974 9.224 1.00 0.00 C ATOM 941 C ARG A 59 25.227 -17.237 9.006 1.00 0.00 C ATOM 942 O ARG A 59 25.620 -18.110 8.237 1.00 0.00 O ATOM 943 CB ARG A 59 27.075 -16.182 10.338 1.00 0.00 C ATOM 944 CG ARG A 59 27.974 -14.955 10.475 1.00 0.00 C ATOM 945 CD ARG A 59 28.786 -15.079 11.760 1.00 0.00 C ATOM 946 NE ARG A 59 29.755 -13.981 11.888 1.00 0.00 N ATOM 947 CZ ARG A 59 30.997 -14.004 11.396 1.00 0.00 C ATOM 948 NH1 ARG A 59 31.445 -15.069 10.735 1.00 0.00 N ATOM 949 NH2 ARG A 59 31.798 -12.957 11.563 1.00 0.00 N ATOM 0 H ARG A 59 25.285 -14.554 10.553 1.00 0.00 H new ATOM 0 HA ARG A 59 26.562 -15.763 8.284 1.00 0.00 H new ATOM 0 HB2 ARG A 59 26.561 -16.371 11.281 1.00 0.00 H new ATOM 0 HB3 ARG A 59 27.681 -17.062 10.123 1.00 0.00 H new ATOM 0 HG2 ARG A 59 28.639 -14.877 9.615 1.00 0.00 H new ATOM 0 HG3 ARG A 59 27.372 -14.047 10.496 1.00 0.00 H new ATOM 0 HD2 ARG A 59 28.115 -15.076 12.619 1.00 0.00 H new ATOM 0 HD3 ARG A 59 29.312 -16.034 11.770 1.00 0.00 H new ATOM 0 HE ARG A 59 29.458 -13.143 12.388 1.00 0.00 H new ATOM 0 HH11 ARG A 59 30.838 -15.878 10.600 1.00 0.00 H new ATOM 0 HH12 ARG A 59 32.395 -15.076 10.363 1.00 0.00 H new ATOM 0 HH21 ARG A 59 31.465 -12.135 12.067 1.00 0.00 H new ATOM 0 HH22 ARG A 59 32.746 -12.975 11.187 1.00 0.00 H new ATOM 963 N ALA A 60 24.081 -17.333 9.683 1.00 0.00 N ATOM 964 CA ALA A 60 23.160 -18.443 9.517 1.00 0.00 C ATOM 965 C ALA A 60 22.138 -18.159 8.413 1.00 0.00 C ATOM 966 O ALA A 60 21.426 -19.065 7.982 1.00 0.00 O ATOM 967 CB ALA A 60 22.468 -18.710 10.853 1.00 0.00 C ATOM 0 H ALA A 60 23.771 -16.638 10.362 1.00 0.00 H new ATOM 0 HA ALA A 60 23.716 -19.329 9.211 1.00 0.00 H new ATOM 0 HB1 ALA A 60 21.773 -19.542 10.743 1.00 0.00 H new ATOM 0 HB2 ALA A 60 23.215 -18.959 11.606 1.00 0.00 H new ATOM 0 HB3 ALA A 60 21.922 -17.820 11.164 1.00 0.00 H new ATOM 973 N LEU A 61 22.061 -16.910 7.950 1.00 0.00 N ATOM 974 CA LEU A 61 21.098 -16.488 6.952 1.00 0.00 C ATOM 975 C LEU A 61 21.507 -16.977 5.567 1.00 0.00 C ATOM 976 O LEU A 61 20.656 -17.193 4.707 1.00 0.00 O ATOM 977 CB LEU A 61 21.002 -14.962 6.980 1.00 0.00 C ATOM 978 CG LEU A 61 19.794 -14.454 6.199 1.00 0.00 C ATOM 979 CD1 LEU A 61 18.497 -14.848 6.893 1.00 0.00 C ATOM 980 CD2 LEU A 61 19.867 -12.933 6.146 1.00 0.00 C ATOM 0 H LEU A 61 22.676 -16.160 8.266 1.00 0.00 H new ATOM 0 HA LEU A 61 20.123 -16.921 7.178 1.00 0.00 H new ATOM 0 HB2 LEU A 61 20.936 -14.621 8.013 1.00 0.00 H new ATOM 0 HB3 LEU A 61 21.912 -14.533 6.561 1.00 0.00 H new ATOM 0 HG LEU A 61 19.807 -14.889 5.200 1.00 0.00 H new ATOM 0 HD11 LEU A 61 17.649 -14.475 6.318 1.00 0.00 H new ATOM 0 HD12 LEU A 61 18.438 -15.934 6.964 1.00 0.00 H new ATOM 0 HD13 LEU A 61 18.474 -14.417 7.894 1.00 0.00 H new ATOM 0 HD21 LEU A 61 19.012 -12.547 5.591 1.00 0.00 H new ATOM 0 HD22 LEU A 61 19.853 -12.533 7.160 1.00 0.00 H new ATOM 0 HD23 LEU A 61 20.789 -12.630 5.649 1.00 0.00 H new ATOM 992 N ASP A 62 22.814 -17.155 5.345 1.00 0.00 N ATOM 993 CA ASP A 62 23.319 -17.739 4.111 1.00 0.00 C ATOM 994 C ASP A 62 23.000 -19.236 4.061 1.00 0.00 C ATOM 995 O ASP A 62 23.242 -19.884 3.044 1.00 0.00 O ATOM 996 CB ASP A 62 24.825 -17.494 4.007 1.00 0.00 C ATOM 997 CG ASP A 62 25.145 -16.008 3.880 1.00 0.00 C ATOM 998 OD1 ASP A 62 24.511 -15.347 3.026 1.00 0.00 O ATOM 999 OD2 ASP A 62 26.025 -15.542 4.639 1.00 0.00 O ATOM 0 H ASP A 62 23.541 -16.899 6.013 1.00 0.00 H new ATOM 0 HA ASP A 62 22.830 -17.265 3.260 1.00 0.00 H new ATOM 0 HB2 ASP A 62 25.322 -17.900 4.888 1.00 0.00 H new ATOM 0 HB3 ASP A 62 25.222 -18.027 3.143 1.00 0.00 H new ATOM 1004 N SER A 63 22.456 -19.782 5.156 1.00 0.00 N ATOM 1005 CA SER A 63 22.060 -21.176 5.253 1.00 0.00 C ATOM 1006 C SER A 63 20.542 -21.312 5.383 1.00 0.00 C ATOM 1007 O SER A 63 20.037 -22.422 5.552 1.00 0.00 O ATOM 1008 CB SER A 63 22.775 -21.818 6.441 1.00 0.00 C ATOM 1009 OG SER A 63 24.179 -21.716 6.292 1.00 0.00 O ATOM 0 H SER A 63 22.279 -19.251 6.009 1.00 0.00 H new ATOM 0 HA SER A 63 22.349 -21.694 4.339 1.00 0.00 H new ATOM 0 HB2 SER A 63 22.466 -21.330 7.365 1.00 0.00 H new ATOM 0 HB3 SER A 63 22.488 -22.866 6.522 1.00 0.00 H new ATOM 0 HG SER A 63 24.621 -22.131 7.062 1.00 0.00 H new ATOM 1015 N PHE A 64 19.808 -20.197 5.305 1.00 0.00 N ATOM 1016 CA PHE A 64 18.356 -20.196 5.404 1.00 0.00 C ATOM 1017 C PHE A 64 17.734 -20.491 4.036 1.00 0.00 C ATOM 1018 O PHE A 64 18.312 -20.158 3.003 1.00 0.00 O ATOM 1019 CB PHE A 64 17.906 -18.849 5.978 1.00 0.00 C ATOM 1020 CG PHE A 64 16.415 -18.691 6.171 1.00 0.00 C ATOM 1021 CD1 PHE A 64 15.679 -19.677 6.845 1.00 0.00 C ATOM 1022 CD2 PHE A 64 15.766 -17.548 5.686 1.00 0.00 C ATOM 1023 CE1 PHE A 64 14.299 -19.517 7.027 1.00 0.00 C ATOM 1024 CE2 PHE A 64 14.388 -17.383 5.876 1.00 0.00 C ATOM 1025 CZ PHE A 64 13.654 -18.372 6.542 1.00 0.00 C ATOM 0 H PHE A 64 20.212 -19.270 5.171 1.00 0.00 H new ATOM 0 HA PHE A 64 18.015 -20.983 6.077 1.00 0.00 H new ATOM 0 HB2 PHE A 64 18.397 -18.701 6.940 1.00 0.00 H new ATOM 0 HB3 PHE A 64 18.255 -18.056 5.316 1.00 0.00 H new ATOM 0 HD1 PHE A 64 16.176 -20.558 7.223 1.00 0.00 H new ATOM 0 HD2 PHE A 64 16.331 -16.790 5.163 1.00 0.00 H new ATOM 0 HE1 PHE A 64 13.731 -20.278 7.542 1.00 0.00 H new ATOM 0 HE2 PHE A 64 13.893 -16.496 5.510 1.00 0.00 H new ATOM 0 HZ PHE A 64 12.590 -18.252 6.682 1.00 0.00 H new ATOM 1099 N PHE A 70 10.530 -15.498 8.108 1.00 0.00 N ATOM 1100 CA PHE A 70 11.808 -14.974 8.555 1.00 0.00 C ATOM 1101 C PHE A 70 11.745 -14.482 9.998 1.00 0.00 C ATOM 1102 O PHE A 70 12.742 -14.565 10.715 1.00 0.00 O ATOM 1103 CB PHE A 70 12.240 -13.826 7.648 1.00 0.00 C ATOM 1104 CG PHE A 70 13.478 -13.119 8.151 1.00 0.00 C ATOM 1105 CD1 PHE A 70 14.718 -13.771 8.133 1.00 0.00 C ATOM 1106 CD2 PHE A 70 13.385 -11.811 8.650 1.00 0.00 C ATOM 1107 CE1 PHE A 70 15.860 -13.116 8.615 1.00 0.00 C ATOM 1108 CE2 PHE A 70 14.528 -11.156 9.130 1.00 0.00 C ATOM 1109 CZ PHE A 70 15.768 -11.810 9.107 1.00 0.00 C ATOM 0 HA PHE A 70 12.534 -15.786 8.506 1.00 0.00 H new ATOM 0 HB2 PHE A 70 12.429 -14.211 6.646 1.00 0.00 H new ATOM 0 HB3 PHE A 70 11.425 -13.107 7.565 1.00 0.00 H new ATOM 0 HD1 PHE A 70 14.794 -14.777 7.748 1.00 0.00 H new ATOM 0 HD2 PHE A 70 12.430 -11.307 8.664 1.00 0.00 H new ATOM 0 HE1 PHE A 70 16.814 -13.622 8.606 1.00 0.00 H new ATOM 0 HE2 PHE A 70 14.453 -10.150 9.516 1.00 0.00 H new ATOM 0 HZ PHE A 70 16.652 -11.306 9.469 1.00 0.00 H new ATOM 1119 N TYR A 71 10.595 -13.968 10.441 1.00 0.00 N ATOM 1120 CA TYR A 71 10.508 -13.428 11.788 1.00 0.00 C ATOM 1121 C TYR A 71 10.581 -14.546 12.827 1.00 0.00 C ATOM 1122 O TYR A 71 11.189 -14.366 13.880 1.00 0.00 O ATOM 1123 CB TYR A 71 9.244 -12.581 11.934 1.00 0.00 C ATOM 1124 CG TYR A 71 7.935 -13.323 11.794 1.00 0.00 C ATOM 1125 CD1 TYR A 71 7.399 -14.004 12.898 1.00 0.00 C ATOM 1126 CD2 TYR A 71 7.252 -13.319 10.571 1.00 0.00 C ATOM 1127 CE1 TYR A 71 6.177 -14.681 12.776 1.00 0.00 C ATOM 1128 CE2 TYR A 71 6.027 -13.991 10.444 1.00 0.00 C ATOM 1129 CZ TYR A 71 5.483 -14.674 11.550 1.00 0.00 C ATOM 1130 OH TYR A 71 4.292 -15.325 11.435 1.00 0.00 O ATOM 0 H TYR A 71 9.734 -13.917 9.897 1.00 0.00 H new ATOM 0 HA TYR A 71 11.363 -12.776 11.967 1.00 0.00 H new ATOM 0 HB2 TYR A 71 9.264 -12.098 12.911 1.00 0.00 H new ATOM 0 HB3 TYR A 71 9.272 -11.788 11.186 1.00 0.00 H new ATOM 0 HD1 TYR A 71 7.927 -14.007 13.840 1.00 0.00 H new ATOM 0 HD2 TYR A 71 7.670 -12.797 9.723 1.00 0.00 H new ATOM 0 HE1 TYR A 71 5.767 -15.209 13.624 1.00 0.00 H new ATOM 0 HE2 TYR A 71 5.502 -13.985 9.500 1.00 0.00 H new ATOM 0 HH TYR A 71 3.948 -15.219 10.524 1.00 0.00 H new ATOM 1140 N THR A 72 9.974 -15.703 12.546 1.00 0.00 N ATOM 1141 CA THR A 72 10.025 -16.829 13.471 1.00 0.00 C ATOM 1142 C THR A 72 11.430 -17.421 13.481 1.00 0.00 C ATOM 1143 O THR A 72 11.903 -17.899 14.513 1.00 0.00 O ATOM 1144 CB THR A 72 9.006 -17.889 13.043 1.00 0.00 C ATOM 1145 OG1 THR A 72 7.730 -17.301 12.911 1.00 0.00 O ATOM 1146 CG2 THR A 72 8.916 -19.006 14.085 1.00 0.00 C ATOM 0 H THR A 72 9.446 -15.880 11.691 1.00 0.00 H new ATOM 0 HA THR A 72 9.780 -16.487 14.477 1.00 0.00 H new ATOM 0 HB THR A 72 9.333 -18.305 12.090 1.00 0.00 H new ATOM 0 HG1 THR A 72 7.800 -16.333 13.047 1.00 0.00 H new ATOM 0 HG21 THR A 72 8.186 -19.748 13.761 1.00 0.00 H new ATOM 0 HG22 THR A 72 9.891 -19.480 14.195 1.00 0.00 H new ATOM 0 HG23 THR A 72 8.606 -18.587 15.042 1.00 0.00 H new ATOM 1154 N TRP A 73 12.102 -17.390 12.328 1.00 0.00 N ATOM 1155 CA TRP A 73 13.448 -17.920 12.195 1.00 0.00 C ATOM 1156 C TRP A 73 14.464 -16.997 12.864 1.00 0.00 C ATOM 1157 O TRP A 73 15.508 -17.464 13.317 1.00 0.00 O ATOM 1158 CB TRP A 73 13.759 -18.083 10.706 1.00 0.00 C ATOM 1159 CG TRP A 73 15.162 -18.506 10.415 1.00 0.00 C ATOM 1160 CD1 TRP A 73 15.575 -19.769 10.182 1.00 0.00 C ATOM 1161 CD2 TRP A 73 16.359 -17.677 10.321 1.00 0.00 C ATOM 1162 NE1 TRP A 73 16.936 -19.785 9.959 1.00 0.00 N ATOM 1163 CE2 TRP A 73 17.477 -18.521 10.063 1.00 0.00 C ATOM 1164 CE3 TRP A 73 16.614 -16.296 10.446 1.00 0.00 C ATOM 1165 CZ2 TRP A 73 18.782 -18.028 9.965 1.00 0.00 C ATOM 1166 CZ3 TRP A 73 17.919 -15.793 10.341 1.00 0.00 C ATOM 1167 CH2 TRP A 73 18.998 -16.656 10.114 1.00 0.00 C ATOM 0 H TRP A 73 11.724 -16.997 11.466 1.00 0.00 H new ATOM 0 HA TRP A 73 13.513 -18.888 12.693 1.00 0.00 H new ATOM 0 HB2 TRP A 73 13.075 -18.818 10.282 1.00 0.00 H new ATOM 0 HB3 TRP A 73 13.564 -17.137 10.200 1.00 0.00 H new ATOM 0 HD1 TRP A 73 14.935 -20.639 10.172 1.00 0.00 H new ATOM 0 HE1 TRP A 73 17.474 -20.625 9.745 1.00 0.00 H new ATOM 0 HE3 TRP A 73 15.794 -15.617 10.625 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 19.609 -18.697 9.777 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 18.093 -14.731 10.436 1.00 0.00 H new ATOM 0 HH2 TRP A 73 20.001 -16.259 10.054 1.00 0.00 H new ATOM 1178 N LEU A 74 14.175 -15.694 12.934 1.00 0.00 N ATOM 1179 CA LEU A 74 15.085 -14.730 13.535 1.00 0.00 C ATOM 1180 C LEU A 74 14.881 -14.652 15.043 1.00 0.00 C ATOM 1181 O LEU A 74 15.846 -14.492 15.787 1.00 0.00 O ATOM 1182 CB LEU A 74 14.837 -13.363 12.893 1.00 0.00 C ATOM 1183 CG LEU A 74 15.742 -12.280 13.494 1.00 0.00 C ATOM 1184 CD1 LEU A 74 17.212 -12.560 13.189 1.00 0.00 C ATOM 1185 CD2 LEU A 74 15.359 -10.927 12.910 1.00 0.00 C ATOM 0 H LEU A 74 13.311 -15.286 12.578 1.00 0.00 H new ATOM 0 HA LEU A 74 16.114 -15.045 13.359 1.00 0.00 H new ATOM 0 HB2 LEU A 74 15.012 -13.428 11.819 1.00 0.00 H new ATOM 0 HB3 LEU A 74 13.793 -13.081 13.029 1.00 0.00 H new ATOM 0 HG LEU A 74 15.608 -12.279 14.576 1.00 0.00 H new ATOM 0 HD11 LEU A 74 17.830 -11.776 13.627 1.00 0.00 H new ATOM 0 HD12 LEU A 74 17.494 -13.524 13.612 1.00 0.00 H new ATOM 0 HD13 LEU A 74 17.362 -12.580 12.110 1.00 0.00 H new ATOM 0 HD21 LEU A 74 15.999 -10.153 13.334 1.00 0.00 H new ATOM 0 HD22 LEU A 74 15.485 -10.949 11.827 1.00 0.00 H new ATOM 0 HD23 LEU A 74 14.318 -10.709 13.150 1.00 0.00 H new ATOM 1197 N TYR A 75 13.633 -14.765 15.506 1.00 0.00 N ATOM 1198 CA TYR A 75 13.357 -14.667 16.928 1.00 0.00 C ATOM 1199 C TYR A 75 13.897 -15.866 17.698 1.00 0.00 C ATOM 1200 O TYR A 75 14.098 -15.761 18.909 1.00 0.00 O ATOM 1201 CB TYR A 75 11.854 -14.481 17.154 1.00 0.00 C ATOM 1202 CG TYR A 75 11.307 -13.157 16.659 1.00 0.00 C ATOM 1203 CD1 TYR A 75 12.104 -12.002 16.694 1.00 0.00 C ATOM 1204 CD2 TYR A 75 9.992 -13.082 16.178 1.00 0.00 C ATOM 1205 CE1 TYR A 75 11.596 -10.777 16.247 1.00 0.00 C ATOM 1206 CE2 TYR A 75 9.479 -11.864 15.711 1.00 0.00 C ATOM 1207 CZ TYR A 75 10.282 -10.704 15.742 1.00 0.00 C ATOM 1208 OH TYR A 75 9.786 -9.519 15.283 1.00 0.00 O ATOM 0 H TYR A 75 12.813 -14.922 14.920 1.00 0.00 H new ATOM 0 HA TYR A 75 13.878 -13.793 17.318 1.00 0.00 H new ATOM 0 HB2 TYR A 75 11.321 -15.290 16.655 1.00 0.00 H new ATOM 0 HB3 TYR A 75 11.645 -14.571 18.220 1.00 0.00 H new ATOM 0 HD1 TYR A 75 13.115 -12.059 17.068 1.00 0.00 H new ATOM 0 HD2 TYR A 75 9.372 -13.966 16.167 1.00 0.00 H new ATOM 0 HE1 TYR A 75 12.210 -9.889 16.289 1.00 0.00 H new ATOM 0 HE2 TYR A 75 8.470 -11.813 15.328 1.00 0.00 H new ATOM 0 HH TYR A 75 10.362 -9.179 14.567 1.00 0.00 H new ATOM 1218 N ARG A 76 14.142 -17.003 17.036 1.00 0.00 N ATOM 1219 CA ARG A 76 14.786 -18.117 17.719 1.00 0.00 C ATOM 1220 C ARG A 76 16.293 -17.879 17.835 1.00 0.00 C ATOM 1221 O ARG A 76 16.932 -18.468 18.703 1.00 0.00 O ATOM 1222 CB ARG A 76 14.455 -19.453 17.050 1.00 0.00 C ATOM 1223 CG ARG A 76 15.013 -19.551 15.633 1.00 0.00 C ATOM 1224 CD ARG A 76 14.729 -20.941 15.073 1.00 0.00 C ATOM 1225 NE ARG A 76 15.407 -21.139 13.788 1.00 0.00 N ATOM 1226 CZ ARG A 76 15.459 -22.309 13.149 1.00 0.00 C ATOM 1227 NH1 ARG A 76 14.852 -23.385 13.643 1.00 0.00 N ATOM 1228 NH2 ARG A 76 16.122 -22.411 12.002 1.00 0.00 N ATOM 0 H ARG A 76 13.910 -17.169 16.057 1.00 0.00 H new ATOM 0 HA ARG A 76 14.388 -18.175 18.732 1.00 0.00 H new ATOM 0 HB2 ARG A 76 14.858 -20.267 17.653 1.00 0.00 H new ATOM 0 HB3 ARG A 76 13.373 -19.583 17.021 1.00 0.00 H new ATOM 0 HG2 ARG A 76 14.558 -18.791 14.998 1.00 0.00 H new ATOM 0 HG3 ARG A 76 16.086 -19.361 15.639 1.00 0.00 H new ATOM 0 HD2 ARG A 76 15.061 -21.698 15.784 1.00 0.00 H new ATOM 0 HD3 ARG A 76 13.655 -21.073 14.945 1.00 0.00 H new ATOM 0 HE ARG A 76 15.865 -20.336 13.358 1.00 0.00 H new ATOM 0 HH11 ARG A 76 14.338 -23.322 14.522 1.00 0.00 H new ATOM 0 HH12 ARG A 76 14.901 -24.273 13.143 1.00 0.00 H new ATOM 0 HH21 ARG A 76 16.591 -21.595 11.610 1.00 0.00 H new ATOM 0 HH22 ARG A 76 16.162 -23.306 11.514 1.00 0.00 H new ATOM 1242 N ILE A 77 16.867 -17.024 16.981 1.00 0.00 N ATOM 1243 CA ILE A 77 18.276 -16.663 17.120 1.00 0.00 C ATOM 1244 C ILE A 77 18.445 -15.788 18.364 1.00 0.00 C ATOM 1245 O ILE A 77 19.468 -15.867 19.041 1.00 0.00 O ATOM 1246 CB ILE A 77 18.789 -15.895 15.891 1.00 0.00 C ATOM 1247 CG1 ILE A 77 18.445 -16.548 14.543 1.00 0.00 C ATOM 1248 CG2 ILE A 77 20.309 -15.735 16.002 1.00 0.00 C ATOM 1249 CD1 ILE A 77 19.003 -17.959 14.367 1.00 0.00 C ATOM 0 H ILE A 77 16.385 -16.578 16.201 1.00 0.00 H new ATOM 0 HA ILE A 77 18.856 -17.582 17.211 1.00 0.00 H new ATOM 0 HB ILE A 77 18.279 -14.932 15.897 1.00 0.00 H new ATOM 0 HG12 ILE A 77 17.361 -16.583 14.436 1.00 0.00 H new ATOM 0 HG13 ILE A 77 18.825 -15.917 13.740 1.00 0.00 H new ATOM 0 HG21 ILE A 77 20.682 -15.191 15.134 1.00 0.00 H new ATOM 0 HG22 ILE A 77 20.551 -15.181 16.909 1.00 0.00 H new ATOM 0 HG23 ILE A 77 20.776 -16.719 16.042 1.00 0.00 H new ATOM 0 HD11 ILE A 77 18.714 -18.345 13.390 1.00 0.00 H new ATOM 0 HD12 ILE A 77 20.090 -17.932 14.439 1.00 0.00 H new ATOM 0 HD13 ILE A 77 18.604 -18.608 15.146 1.00 0.00 H new ATOM 1261 N ALA A 78 17.444 -14.954 18.664 1.00 0.00 N ATOM 1262 CA ALA A 78 17.549 -13.974 19.734 1.00 0.00 C ATOM 1263 C ALA A 78 17.413 -14.599 21.121 1.00 0.00 C ATOM 1264 O ALA A 78 18.148 -14.229 22.035 1.00 0.00 O ATOM 1265 CB ALA A 78 16.485 -12.899 19.522 1.00 0.00 C ATOM 0 H ALA A 78 16.550 -14.944 18.174 1.00 0.00 H new ATOM 0 HA ALA A 78 18.545 -13.534 19.695 1.00 0.00 H new ATOM 0 HB1 ALA A 78 16.553 -12.158 20.318 1.00 0.00 H new ATOM 0 HB2 ALA A 78 16.645 -12.413 18.559 1.00 0.00 H new ATOM 0 HB3 ALA A 78 15.496 -13.358 19.537 1.00 0.00 H new ATOM 1271 N VAL A 79 16.485 -15.546 21.297 1.00 0.00 N ATOM 1272 CA VAL A 79 16.272 -16.159 22.602 1.00 0.00 C ATOM 1273 C VAL A 79 17.325 -17.225 22.894 1.00 0.00 C ATOM 1274 O VAL A 79 17.657 -17.462 24.055 1.00 0.00 O ATOM 1275 CB VAL A 79 14.844 -16.706 22.697 1.00 0.00 C ATOM 1276 CG1 VAL A 79 14.582 -17.782 21.650 1.00 0.00 C ATOM 1277 CG2 VAL A 79 14.588 -17.307 24.076 1.00 0.00 C ATOM 0 H VAL A 79 15.878 -15.898 20.557 1.00 0.00 H new ATOM 0 HA VAL A 79 16.387 -15.397 23.373 1.00 0.00 H new ATOM 0 HB VAL A 79 14.173 -15.865 22.522 1.00 0.00 H new ATOM 0 HG11 VAL A 79 13.559 -18.145 21.749 1.00 0.00 H new ATOM 0 HG12 VAL A 79 14.723 -17.362 20.654 1.00 0.00 H new ATOM 0 HG13 VAL A 79 15.276 -18.609 21.797 1.00 0.00 H new ATOM 0 HG21 VAL A 79 13.568 -17.690 24.123 1.00 0.00 H new ATOM 0 HG22 VAL A 79 15.290 -18.122 24.254 1.00 0.00 H new ATOM 0 HG23 VAL A 79 14.723 -16.539 24.838 1.00 0.00 H new ATOM 1287 N ASN A 80 17.860 -17.873 21.855 1.00 0.00 N ATOM 1288 CA ASN A 80 18.905 -18.869 22.042 1.00 0.00 C ATOM 1289 C ASN A 80 20.238 -18.188 22.339 1.00 0.00 C ATOM 1290 O ASN A 80 21.118 -18.790 22.953 1.00 0.00 O ATOM 1291 CB ASN A 80 18.993 -19.764 20.800 1.00 0.00 C ATOM 1292 CG ASN A 80 17.769 -20.660 20.646 1.00 0.00 C ATOM 1293 OD1 ASN A 80 16.933 -20.753 21.539 1.00 0.00 O ATOM 1294 ND2 ASN A 80 17.650 -21.330 19.504 1.00 0.00 N ATOM 0 H ASN A 80 17.585 -17.723 20.884 1.00 0.00 H new ATOM 0 HA ASN A 80 18.660 -19.498 22.898 1.00 0.00 H new ATOM 0 HB2 ASN A 80 19.098 -19.141 19.912 1.00 0.00 H new ATOM 0 HB3 ASN A 80 19.888 -20.383 20.863 1.00 0.00 H new ATOM 0 HD21 ASN A 80 16.848 -21.941 19.353 1.00 0.00 H new ATOM 0 HD22 ASN A 80 18.361 -21.233 18.779 1.00 0.00 H new ATOM 1301 N THR A 81 20.399 -16.930 21.913 1.00 0.00 N ATOM 1302 CA THR A 81 21.606 -16.175 22.213 1.00 0.00 C ATOM 1303 C THR A 81 21.526 -15.582 23.615 1.00 0.00 C ATOM 1304 O THR A 81 22.558 -15.358 24.241 1.00 0.00 O ATOM 1305 CB THR A 81 21.817 -15.086 21.157 1.00 0.00 C ATOM 1306 OG1 THR A 81 21.994 -15.701 19.899 1.00 0.00 O ATOM 1307 CG2 THR A 81 23.070 -14.268 21.444 1.00 0.00 C ATOM 0 H THR A 81 19.708 -16.421 21.362 1.00 0.00 H new ATOM 0 HA THR A 81 22.465 -16.846 22.185 1.00 0.00 H new ATOM 0 HB THR A 81 20.946 -14.430 21.171 1.00 0.00 H new ATOM 0 HG1 THR A 81 21.120 -15.853 19.483 1.00 0.00 H new ATOM 0 HG21 THR A 81 23.190 -13.504 20.676 1.00 0.00 H new ATOM 0 HG22 THR A 81 22.977 -13.790 22.419 1.00 0.00 H new ATOM 0 HG23 THR A 81 23.941 -14.924 21.443 1.00 0.00 H new ATOM 1315 N ALA A 82 20.320 -15.323 24.128 1.00 0.00 N ATOM 1316 CA ALA A 82 20.161 -14.778 25.469 1.00 0.00 C ATOM 1317 C ALA A 82 20.439 -15.847 26.523 1.00 0.00 C ATOM 1318 O ALA A 82 20.942 -15.537 27.602 1.00 0.00 O ATOM 1319 CB ALA A 82 18.743 -14.230 25.613 1.00 0.00 C ATOM 0 H ALA A 82 19.443 -15.483 23.632 1.00 0.00 H new ATOM 0 HA ALA A 82 20.879 -13.972 25.622 1.00 0.00 H new ATOM 0 HB1 ALA A 82 18.612 -13.819 26.614 1.00 0.00 H new ATOM 0 HB2 ALA A 82 18.579 -13.446 24.874 1.00 0.00 H new ATOM 0 HB3 ALA A 82 18.024 -15.034 25.454 1.00 0.00 H new ATOM 1325 N LYS A 83 20.117 -17.107 26.215 1.00 0.00 N ATOM 1326 CA LYS A 83 20.401 -18.216 27.116 1.00 0.00 C ATOM 1327 C LYS A 83 21.875 -18.600 27.021 1.00 0.00 C ATOM 1328 O LYS A 83 22.435 -19.140 27.972 1.00 0.00 O ATOM 1329 CB LYS A 83 19.490 -19.393 26.762 1.00 0.00 C ATOM 1330 CG LYS A 83 18.038 -19.052 27.105 1.00 0.00 C ATOM 1331 CD LYS A 83 17.110 -20.194 26.682 1.00 0.00 C ATOM 1332 CE LYS A 83 15.658 -19.878 27.039 1.00 0.00 C ATOM 1333 NZ LYS A 83 15.453 -19.843 28.501 1.00 0.00 N ATOM 0 H LYS A 83 19.659 -17.380 25.345 1.00 0.00 H new ATOM 0 HA LYS A 83 20.203 -17.922 28.147 1.00 0.00 H new ATOM 0 HB2 LYS A 83 19.577 -19.624 25.700 1.00 0.00 H new ATOM 0 HB3 LYS A 83 19.802 -20.283 27.309 1.00 0.00 H new ATOM 0 HG2 LYS A 83 17.942 -18.874 28.176 1.00 0.00 H new ATOM 0 HG3 LYS A 83 17.745 -18.131 26.602 1.00 0.00 H new ATOM 0 HD2 LYS A 83 17.197 -20.360 25.608 1.00 0.00 H new ATOM 0 HD3 LYS A 83 17.417 -21.118 27.173 1.00 0.00 H new ATOM 0 HE2 LYS A 83 15.378 -18.917 26.609 1.00 0.00 H new ATOM 0 HE3 LYS A 83 15.002 -20.628 26.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 14.434 -19.830 28.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 15.883 -20.686 28.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 15.897 -18.989 28.893 1.00 0.00 H new ATOM 1347 N ASN A 84 22.507 -18.319 25.877 1.00 0.00 N ATOM 1348 CA ASN A 84 23.935 -18.544 25.709 1.00 0.00 C ATOM 1349 C ASN A 84 24.738 -17.365 26.266 1.00 0.00 C ATOM 1350 O ASN A 84 25.935 -17.490 26.518 1.00 0.00 O ATOM 1351 CB ASN A 84 24.225 -18.802 24.229 1.00 0.00 C ATOM 1352 CG ASN A 84 25.702 -19.060 23.977 1.00 0.00 C ATOM 1353 OD1 ASN A 84 26.183 -20.172 24.166 1.00 0.00 O ATOM 1354 ND2 ASN A 84 26.434 -18.036 23.546 1.00 0.00 N ATOM 0 H ASN A 84 22.044 -17.934 25.054 1.00 0.00 H new ATOM 0 HA ASN A 84 24.245 -19.422 26.276 1.00 0.00 H new ATOM 0 HB2 ASN A 84 23.644 -19.659 23.889 1.00 0.00 H new ATOM 0 HB3 ASN A 84 23.901 -17.944 23.641 1.00 0.00 H new ATOM 0 HD21 ASN A 84 27.429 -18.162 23.362 1.00 0.00 H new ATOM 0 HD22 ASN A 84 26.000 -17.125 23.400 1.00 0.00 H new