USER MOD reduce.3.24.130724 H: found=0, std=0, add=476, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 474 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 11 TYR OH : rot 180:sc=-0.00862 USER MOD Set 1.2: A 62 LYS NZ :NH3+ -157:sc=-3.94e-05 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 32:sc= 0.261 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= -0.108 X(o=-0.11,f=-0.099) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.103 X(o=-0.1,f=-0.11) USER MOD Single : A 21 ASN : amide:sc= -0.103 X(o=-0.1,f=-0.093) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot -65:sc= 0.22 USER MOD Single : A 49 ASN : amide:sc= -0.153 K(o=-0.15,f=-1.1) USER MOD Single : A 51 GLN : amide:sc= -0.0953 K(o=-0.095,f=-2!) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot -59:sc= 0.287 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 14.341 21.449 -8.033 1.00 0.00 N ATOM 2 CA GLY A 1 14.576 22.699 -7.334 1.00 0.00 C ATOM 3 C GLY A 1 13.322 23.542 -7.214 1.00 0.00 C ATOM 4 O GLY A 1 12.884 23.862 -6.109 1.00 0.00 O ATOM 0 H1 GLY A 1 15.229 20.910 -8.088 1.00 0.00 H new ATOM 0 H2 GLY A 1 13.629 20.892 -7.518 1.00 0.00 H new ATOM 0 H3 GLY A 1 13.996 21.648 -8.994 1.00 0.00 H new ATOM 0 HA2 GLY A 1 14.964 22.487 -6.338 1.00 0.00 H new ATOM 0 HA3 GLY A 1 15.343 23.267 -7.860 1.00 0.00 H new ATOM 8 N SER A 2 12.742 23.903 -8.355 1.00 0.00 N ATOM 9 CA SER A 2 11.533 24.718 -8.373 1.00 0.00 C ATOM 10 C SER A 2 10.631 24.378 -7.191 1.00 0.00 C ATOM 11 O SER A 2 10.216 23.231 -7.022 1.00 0.00 O ATOM 12 CB SER A 2 10.774 24.512 -9.685 1.00 0.00 C ATOM 13 OG SER A 2 10.479 23.142 -9.894 1.00 0.00 O ATOM 0 H SER A 2 13.090 23.644 -9.278 1.00 0.00 H new ATOM 0 HA SER A 2 11.828 25.764 -8.293 1.00 0.00 H new ATOM 0 HB2 SER A 2 9.849 25.088 -9.668 1.00 0.00 H new ATOM 0 HB3 SER A 2 11.369 24.890 -10.516 1.00 0.00 H new ATOM 0 HG SER A 2 10.344 22.701 -9.029 1.00 0.00 H new ATOM 19 N SER A 3 10.330 25.383 -6.375 1.00 0.00 N ATOM 20 CA SER A 3 9.480 25.191 -5.206 1.00 0.00 C ATOM 21 C SER A 3 8.164 24.524 -5.595 1.00 0.00 C ATOM 22 O SER A 3 7.838 24.410 -6.776 1.00 0.00 O ATOM 23 CB SER A 3 9.203 26.533 -4.525 1.00 0.00 C ATOM 24 OG SER A 3 10.206 26.837 -3.571 1.00 0.00 O ATOM 0 H SER A 3 10.662 26.339 -6.502 1.00 0.00 H new ATOM 0 HA SER A 3 10.005 24.539 -4.508 1.00 0.00 H new ATOM 0 HB2 SER A 3 9.159 27.323 -5.275 1.00 0.00 H new ATOM 0 HB3 SER A 3 8.229 26.502 -4.036 1.00 0.00 H new ATOM 0 HG SER A 3 10.007 27.700 -3.151 1.00 0.00 H new ATOM 30 N GLY A 4 7.411 24.084 -4.591 1.00 0.00 N ATOM 31 CA GLY A 4 6.140 23.434 -4.847 1.00 0.00 C ATOM 32 C GLY A 4 5.507 22.879 -3.586 1.00 0.00 C ATOM 33 O GLY A 4 6.088 22.025 -2.916 1.00 0.00 O ATOM 0 H GLY A 4 7.659 24.166 -3.605 1.00 0.00 H new ATOM 0 HA2 GLY A 4 5.457 24.147 -5.309 1.00 0.00 H new ATOM 0 HA3 GLY A 4 6.287 22.625 -5.562 1.00 0.00 H new ATOM 37 N SER A 5 4.315 23.367 -3.260 1.00 0.00 N ATOM 38 CA SER A 5 3.605 22.920 -2.067 1.00 0.00 C ATOM 39 C SER A 5 2.793 21.661 -2.359 1.00 0.00 C ATOM 40 O SER A 5 1.992 21.629 -3.293 1.00 0.00 O ATOM 41 CB SER A 5 2.685 24.026 -1.550 1.00 0.00 C ATOM 42 OG SER A 5 3.410 24.984 -0.798 1.00 0.00 O ATOM 0 H SER A 5 3.820 24.073 -3.805 1.00 0.00 H new ATOM 0 HA SER A 5 4.344 22.686 -1.301 1.00 0.00 H new ATOM 0 HB2 SER A 5 2.193 24.516 -2.390 1.00 0.00 H new ATOM 0 HB3 SER A 5 1.901 23.591 -0.931 1.00 0.00 H new ATOM 0 HG SER A 5 2.799 25.681 -0.480 1.00 0.00 H new ATOM 48 N SER A 6 3.007 20.627 -1.552 1.00 0.00 N ATOM 49 CA SER A 6 2.298 19.364 -1.724 1.00 0.00 C ATOM 50 C SER A 6 2.572 18.423 -0.555 1.00 0.00 C ATOM 51 O SER A 6 3.403 18.710 0.306 1.00 0.00 O ATOM 52 CB SER A 6 2.712 18.698 -3.038 1.00 0.00 C ATOM 53 OG SER A 6 4.068 18.290 -2.997 1.00 0.00 O ATOM 0 H SER A 6 3.665 20.639 -0.773 1.00 0.00 H new ATOM 0 HA SER A 6 1.229 19.577 -1.753 1.00 0.00 H new ATOM 0 HB2 SER A 6 2.075 17.835 -3.228 1.00 0.00 H new ATOM 0 HB3 SER A 6 2.563 19.393 -3.864 1.00 0.00 H new ATOM 0 HG SER A 6 4.308 17.866 -3.847 1.00 0.00 H new ATOM 59 N GLY A 7 1.867 17.296 -0.532 1.00 0.00 N ATOM 60 CA GLY A 7 2.047 16.330 0.535 1.00 0.00 C ATOM 61 C GLY A 7 0.987 15.247 0.522 1.00 0.00 C ATOM 62 O GLY A 7 0.006 15.321 1.262 1.00 0.00 O ATOM 0 H GLY A 7 1.174 17.035 -1.234 1.00 0.00 H new ATOM 0 HA2 GLY A 7 3.032 15.871 0.443 1.00 0.00 H new ATOM 0 HA3 GLY A 7 2.024 16.845 1.495 1.00 0.00 H new ATOM 66 N ALA A 8 1.182 14.239 -0.322 1.00 0.00 N ATOM 67 CA ALA A 8 0.235 13.136 -0.428 1.00 0.00 C ATOM 68 C ALA A 8 0.956 11.793 -0.450 1.00 0.00 C ATOM 69 O ALA A 8 1.494 11.385 -1.479 1.00 0.00 O ATOM 70 CB ALA A 8 -0.625 13.297 -1.673 1.00 0.00 C ATOM 0 H ALA A 8 1.988 14.164 -0.943 1.00 0.00 H new ATOM 0 HA ALA A 8 -0.410 13.157 0.451 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -1.328 12.466 -1.740 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -1.177 14.235 -1.615 1.00 0.00 H new ATOM 0 HB3 ALA A 8 0.013 13.305 -2.557 1.00 0.00 H new ATOM 76 N GLN A 9 0.964 11.111 0.691 1.00 0.00 N ATOM 77 CA GLN A 9 1.621 9.814 0.801 1.00 0.00 C ATOM 78 C GLN A 9 1.134 8.863 -0.287 1.00 0.00 C ATOM 79 O GLN A 9 -0.010 8.411 -0.262 1.00 0.00 O ATOM 80 CB GLN A 9 1.364 9.205 2.180 1.00 0.00 C ATOM 81 CG GLN A 9 1.831 10.083 3.330 1.00 0.00 C ATOM 82 CD GLN A 9 3.300 10.444 3.230 1.00 0.00 C ATOM 83 OE1 GLN A 9 3.665 11.619 3.250 1.00 0.00 O ATOM 84 NE2 GLN A 9 4.152 9.431 3.121 1.00 0.00 N ATOM 0 H GLN A 9 0.523 11.435 1.552 1.00 0.00 H new ATOM 0 HA GLN A 9 2.693 9.965 0.672 1.00 0.00 H new ATOM 0 HB2 GLN A 9 0.297 9.014 2.290 1.00 0.00 H new ATOM 0 HB3 GLN A 9 1.869 8.241 2.242 1.00 0.00 H new ATOM 0 HG2 GLN A 9 1.237 10.997 3.349 1.00 0.00 H new ATOM 0 HG3 GLN A 9 1.651 9.566 4.273 1.00 0.00 H new ATOM 0 HE21 GLN A 9 3.805 8.472 3.109 1.00 0.00 H new ATOM 0 HE22 GLN A 9 5.153 9.612 3.050 1.00 0.00 H new ATOM 93 N GLU A 10 2.010 8.565 -1.241 1.00 0.00 N ATOM 94 CA GLU A 10 1.668 7.668 -2.339 1.00 0.00 C ATOM 95 C GLU A 10 1.982 6.220 -1.976 1.00 0.00 C ATOM 96 O GLU A 10 3.048 5.920 -1.438 1.00 0.00 O ATOM 97 CB GLU A 10 2.428 8.065 -3.607 1.00 0.00 C ATOM 98 CG GLU A 10 1.951 9.371 -4.219 1.00 0.00 C ATOM 99 CD GLU A 10 0.498 9.317 -4.651 1.00 0.00 C ATOM 100 OE1 GLU A 10 0.113 8.333 -5.318 1.00 0.00 O ATOM 101 OE2 GLU A 10 -0.254 10.258 -4.322 1.00 0.00 O ATOM 0 H GLU A 10 2.961 8.931 -1.276 1.00 0.00 H new ATOM 0 HA GLU A 10 0.597 7.754 -2.525 1.00 0.00 H new ATOM 0 HB2 GLU A 10 3.489 8.150 -3.373 1.00 0.00 H new ATOM 0 HB3 GLU A 10 2.327 7.269 -4.345 1.00 0.00 H new ATOM 0 HG2 GLU A 10 2.081 10.176 -3.496 1.00 0.00 H new ATOM 0 HG3 GLU A 10 2.573 9.613 -5.080 1.00 0.00 H new ATOM 108 N TYR A 11 1.046 5.325 -2.274 1.00 0.00 N ATOM 109 CA TYR A 11 1.220 3.909 -1.977 1.00 0.00 C ATOM 110 C TYR A 11 1.185 3.076 -3.255 1.00 0.00 C ATOM 111 O TYR A 11 0.226 3.139 -4.024 1.00 0.00 O ATOM 112 CB TYR A 11 0.133 3.430 -1.014 1.00 0.00 C ATOM 113 CG TYR A 11 0.361 3.860 0.418 1.00 0.00 C ATOM 114 CD1 TYR A 11 0.233 5.192 0.793 1.00 0.00 C ATOM 115 CD2 TYR A 11 0.704 2.934 1.395 1.00 0.00 C ATOM 116 CE1 TYR A 11 0.441 5.588 2.100 1.00 0.00 C ATOM 117 CE2 TYR A 11 0.913 3.322 2.705 1.00 0.00 C ATOM 118 CZ TYR A 11 0.781 4.650 3.052 1.00 0.00 C ATOM 119 OH TYR A 11 0.987 5.041 4.355 1.00 0.00 O ATOM 0 H TYR A 11 0.159 5.556 -2.721 1.00 0.00 H new ATOM 0 HA TYR A 11 2.195 3.780 -1.507 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -0.832 3.811 -1.350 1.00 0.00 H new ATOM 0 HB3 TYR A 11 0.078 2.342 -1.054 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -0.033 5.930 0.050 1.00 0.00 H new ATOM 0 HD2 TYR A 11 0.809 1.893 1.126 1.00 0.00 H new ATOM 0 HE1 TYR A 11 0.338 6.627 2.375 1.00 0.00 H new ATOM 0 HE2 TYR A 11 1.178 2.589 3.453 1.00 0.00 H new ATOM 0 HH TYR A 11 1.218 4.259 4.899 1.00 0.00 H new ATOM 129 N ARG A 12 2.239 2.296 -3.475 1.00 0.00 N ATOM 130 CA ARG A 12 2.330 1.450 -4.659 1.00 0.00 C ATOM 131 C ARG A 12 1.941 0.012 -4.331 1.00 0.00 C ATOM 132 O ARG A 12 2.319 -0.522 -3.289 1.00 0.00 O ATOM 133 CB ARG A 12 3.748 1.489 -5.231 1.00 0.00 C ATOM 134 CG ARG A 12 3.861 0.885 -6.621 1.00 0.00 C ATOM 135 CD ARG A 12 5.232 1.137 -7.228 1.00 0.00 C ATOM 136 NE ARG A 12 5.181 1.207 -8.686 1.00 0.00 N ATOM 137 CZ ARG A 12 6.259 1.298 -9.456 1.00 0.00 C ATOM 138 NH1 ARG A 12 7.467 1.330 -8.910 1.00 0.00 N ATOM 139 NH2 ARG A 12 6.131 1.357 -10.776 1.00 0.00 N ATOM 0 H ARG A 12 3.042 2.233 -2.849 1.00 0.00 H new ATOM 0 HA ARG A 12 1.634 1.835 -5.405 1.00 0.00 H new ATOM 0 HB2 ARG A 12 4.089 2.524 -5.265 1.00 0.00 H new ATOM 0 HB3 ARG A 12 4.418 0.955 -4.557 1.00 0.00 H new ATOM 0 HG2 ARG A 12 3.677 -0.188 -6.569 1.00 0.00 H new ATOM 0 HG3 ARG A 12 3.092 1.309 -7.267 1.00 0.00 H new ATOM 0 HD2 ARG A 12 5.637 2.069 -6.834 1.00 0.00 H new ATOM 0 HD3 ARG A 12 5.913 0.341 -6.927 1.00 0.00 H new ATOM 0 HE ARG A 12 4.267 1.185 -9.138 1.00 0.00 H new ATOM 0 HH11 ARG A 12 7.570 1.285 -7.896 1.00 0.00 H new ATOM 0 HH12 ARG A 12 8.293 1.400 -9.504 1.00 0.00 H new ATOM 0 HH21 ARG A 12 5.204 1.332 -11.200 1.00 0.00 H new ATOM 0 HH22 ARG A 12 6.960 1.427 -11.366 1.00 0.00 H new ATOM 153 N ALA A 13 1.183 -0.610 -5.228 1.00 0.00 N ATOM 154 CA ALA A 13 0.744 -1.986 -5.035 1.00 0.00 C ATOM 155 C ALA A 13 1.928 -2.946 -5.043 1.00 0.00 C ATOM 156 O ALA A 13 2.982 -2.644 -5.606 1.00 0.00 O ATOM 157 CB ALA A 13 -0.261 -2.375 -6.110 1.00 0.00 C ATOM 0 H ALA A 13 0.860 -0.182 -6.096 1.00 0.00 H new ATOM 0 HA ALA A 13 0.261 -2.054 -4.060 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.580 -3.405 -5.954 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -1.126 -1.714 -6.055 1.00 0.00 H new ATOM 0 HB3 ALA A 13 0.203 -2.284 -7.092 1.00 0.00 H new ATOM 163 N LEU A 14 1.750 -4.103 -4.415 1.00 0.00 N ATOM 164 CA LEU A 14 2.805 -5.108 -4.349 1.00 0.00 C ATOM 165 C LEU A 14 2.386 -6.386 -5.068 1.00 0.00 C ATOM 166 O LEU A 14 3.223 -7.109 -5.611 1.00 0.00 O ATOM 167 CB LEU A 14 3.150 -5.420 -2.891 1.00 0.00 C ATOM 168 CG LEU A 14 3.957 -4.354 -2.150 1.00 0.00 C ATOM 169 CD1 LEU A 14 3.838 -4.543 -0.646 1.00 0.00 C ATOM 170 CD2 LEU A 14 5.416 -4.395 -2.581 1.00 0.00 C ATOM 0 H LEU A 14 0.885 -4.368 -3.944 1.00 0.00 H new ATOM 0 HA LEU A 14 3.687 -4.705 -4.847 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.221 -5.588 -2.346 1.00 0.00 H new ATOM 0 HB3 LEU A 14 3.709 -6.355 -2.863 1.00 0.00 H new ATOM 0 HG LEU A 14 3.550 -3.375 -2.405 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.419 -3.775 -0.136 1.00 0.00 H new ATOM 0 HD12 LEU A 14 2.792 -4.463 -0.351 1.00 0.00 H new ATOM 0 HD13 LEU A 14 4.218 -5.527 -0.372 1.00 0.00 H new ATOM 0 HD21 LEU A 14 5.976 -3.630 -2.044 1.00 0.00 H new ATOM 0 HD22 LEU A 14 5.835 -5.376 -2.356 1.00 0.00 H new ATOM 0 HD23 LEU A 14 5.484 -4.209 -3.653 1.00 0.00 H new ATOM 182 N TYR A 15 1.086 -6.658 -5.071 1.00 0.00 N ATOM 183 CA TYR A 15 0.555 -7.849 -5.724 1.00 0.00 C ATOM 184 C TYR A 15 -0.832 -7.582 -6.300 1.00 0.00 C ATOM 185 O TYR A 15 -1.571 -6.733 -5.801 1.00 0.00 O ATOM 186 CB TYR A 15 0.493 -9.013 -4.734 1.00 0.00 C ATOM 187 CG TYR A 15 1.668 -9.065 -3.785 1.00 0.00 C ATOM 188 CD1 TYR A 15 2.888 -9.597 -4.185 1.00 0.00 C ATOM 189 CD2 TYR A 15 1.560 -8.580 -2.487 1.00 0.00 C ATOM 190 CE1 TYR A 15 3.964 -9.646 -3.320 1.00 0.00 C ATOM 191 CE2 TYR A 15 2.631 -8.623 -1.616 1.00 0.00 C ATOM 192 CZ TYR A 15 3.831 -9.158 -2.037 1.00 0.00 C ATOM 193 OH TYR A 15 4.901 -9.204 -1.173 1.00 0.00 O ATOM 0 H TYR A 15 0.380 -6.070 -4.628 1.00 0.00 H new ATOM 0 HA TYR A 15 1.224 -8.112 -6.543 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -0.427 -8.938 -4.155 1.00 0.00 H new ATOM 0 HB3 TYR A 15 0.444 -9.949 -5.290 1.00 0.00 H new ATOM 0 HD1 TYR A 15 2.997 -9.979 -5.189 1.00 0.00 H new ATOM 0 HD2 TYR A 15 0.622 -8.162 -2.153 1.00 0.00 H new ATOM 0 HE1 TYR A 15 4.905 -10.064 -3.647 1.00 0.00 H new ATOM 0 HE2 TYR A 15 2.530 -8.240 -0.611 1.00 0.00 H new ATOM 0 HH TYR A 15 4.641 -8.819 -0.310 1.00 0.00 H new ATOM 203 N ASP A 16 -1.179 -8.313 -7.353 1.00 0.00 N ATOM 204 CA ASP A 16 -2.478 -8.158 -7.998 1.00 0.00 C ATOM 205 C ASP A 16 -3.592 -8.711 -7.115 1.00 0.00 C ATOM 206 O ASP A 16 -3.585 -9.889 -6.755 1.00 0.00 O ATOM 207 CB ASP A 16 -2.485 -8.865 -9.354 1.00 0.00 C ATOM 208 CG ASP A 16 -2.673 -10.364 -9.225 1.00 0.00 C ATOM 209 OD1 ASP A 16 -1.706 -11.050 -8.832 1.00 0.00 O ATOM 210 OD2 ASP A 16 -3.786 -10.850 -9.516 1.00 0.00 O ATOM 0 H ASP A 16 -0.579 -9.019 -7.779 1.00 0.00 H new ATOM 0 HA ASP A 16 -2.656 -7.094 -8.152 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -3.284 -8.453 -9.971 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -1.547 -8.663 -9.871 1.00 0.00 H new ATOM 215 N TYR A 17 -4.547 -7.855 -6.770 1.00 0.00 N ATOM 216 CA TYR A 17 -5.666 -8.257 -5.926 1.00 0.00 C ATOM 217 C TYR A 17 -6.976 -8.222 -6.707 1.00 0.00 C ATOM 218 O TYR A 17 -7.378 -7.179 -7.225 1.00 0.00 O ATOM 219 CB TYR A 17 -5.763 -7.344 -4.703 1.00 0.00 C ATOM 220 CG TYR A 17 -6.941 -7.657 -3.807 1.00 0.00 C ATOM 221 CD1 TYR A 17 -6.905 -8.733 -2.929 1.00 0.00 C ATOM 222 CD2 TYR A 17 -8.089 -6.874 -3.837 1.00 0.00 C ATOM 223 CE1 TYR A 17 -7.978 -9.022 -2.109 1.00 0.00 C ATOM 224 CE2 TYR A 17 -9.166 -7.155 -3.020 1.00 0.00 C ATOM 225 CZ TYR A 17 -9.106 -8.231 -2.158 1.00 0.00 C ATOM 226 OH TYR A 17 -10.177 -8.515 -1.342 1.00 0.00 O ATOM 0 H TYR A 17 -4.569 -6.878 -7.062 1.00 0.00 H new ATOM 0 HA TYR A 17 -5.489 -9.280 -5.594 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -4.844 -7.428 -4.123 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -5.836 -6.309 -5.037 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -6.023 -9.354 -2.887 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -8.139 -6.031 -4.511 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -7.934 -9.863 -1.433 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -10.050 -6.536 -3.055 1.00 0.00 H new ATOM 0 HH TYR A 17 -10.890 -7.862 -1.499 1.00 0.00 H new ATOM 236 N THR A 18 -7.641 -9.371 -6.787 1.00 0.00 N ATOM 237 CA THR A 18 -8.906 -9.474 -7.504 1.00 0.00 C ATOM 238 C THR A 18 -10.088 -9.241 -6.569 1.00 0.00 C ATOM 239 O THR A 18 -10.529 -10.154 -5.872 1.00 0.00 O ATOM 240 CB THR A 18 -9.060 -10.851 -8.175 1.00 0.00 C ATOM 241 OG1 THR A 18 -7.999 -11.060 -9.114 1.00 0.00 O ATOM 242 CG2 THR A 18 -10.401 -10.959 -8.886 1.00 0.00 C ATOM 0 H THR A 18 -7.324 -10.243 -6.364 1.00 0.00 H new ATOM 0 HA THR A 18 -8.898 -8.702 -8.274 1.00 0.00 H new ATOM 0 HB THR A 18 -9.014 -11.616 -7.400 1.00 0.00 H new ATOM 0 HG1 THR A 18 -8.103 -11.939 -9.535 1.00 0.00 H new ATOM 0 HG21 THR A 18 -10.487 -11.940 -9.353 1.00 0.00 H new ATOM 0 HG22 THR A 18 -11.207 -10.828 -8.164 1.00 0.00 H new ATOM 0 HG23 THR A 18 -10.470 -10.186 -9.651 1.00 0.00 H new ATOM 250 N ALA A 19 -10.596 -8.013 -6.561 1.00 0.00 N ATOM 251 CA ALA A 19 -11.730 -7.662 -5.714 1.00 0.00 C ATOM 252 C ALA A 19 -12.993 -8.392 -6.157 1.00 0.00 C ATOM 253 O ALA A 19 -13.397 -8.304 -7.316 1.00 0.00 O ATOM 254 CB ALA A 19 -11.954 -6.157 -5.730 1.00 0.00 C ATOM 0 H ALA A 19 -10.241 -7.245 -7.131 1.00 0.00 H new ATOM 0 HA ALA A 19 -11.501 -7.973 -4.695 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -12.803 -5.909 -5.094 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -11.062 -5.652 -5.358 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -12.157 -5.830 -6.750 1.00 0.00 H new ATOM 260 N GLN A 20 -13.612 -9.111 -5.227 1.00 0.00 N ATOM 261 CA GLN A 20 -14.829 -9.857 -5.523 1.00 0.00 C ATOM 262 C GLN A 20 -16.043 -8.934 -5.543 1.00 0.00 C ATOM 263 O GLN A 20 -16.814 -8.927 -6.502 1.00 0.00 O ATOM 264 CB GLN A 20 -15.036 -10.968 -4.491 1.00 0.00 C ATOM 265 CG GLN A 20 -13.934 -12.014 -4.495 1.00 0.00 C ATOM 266 CD GLN A 20 -13.735 -12.648 -5.857 1.00 0.00 C ATOM 267 OE1 GLN A 20 -14.424 -13.603 -6.217 1.00 0.00 O ATOM 268 NE2 GLN A 20 -12.789 -12.119 -6.624 1.00 0.00 N ATOM 0 H GLN A 20 -13.291 -9.193 -4.262 1.00 0.00 H new ATOM 0 HA GLN A 20 -14.719 -10.304 -6.511 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -15.100 -10.523 -3.498 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -15.991 -11.457 -4.683 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -13.000 -11.553 -4.173 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -14.173 -12.791 -3.769 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -12.241 -11.328 -6.286 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -12.610 -12.504 -7.551 1.00 0.00 H new ATOM 277 N ASN A 21 -16.205 -8.155 -4.479 1.00 0.00 N ATOM 278 CA ASN A 21 -17.326 -7.228 -4.374 1.00 0.00 C ATOM 279 C ASN A 21 -17.126 -6.026 -5.293 1.00 0.00 C ATOM 280 O ASN A 21 -16.002 -5.643 -5.618 1.00 0.00 O ATOM 281 CB ASN A 21 -17.491 -6.756 -2.928 1.00 0.00 C ATOM 282 CG ASN A 21 -17.272 -7.873 -1.926 1.00 0.00 C ATOM 283 OD1 ASN A 21 -17.860 -8.949 -2.041 1.00 0.00 O ATOM 284 ND2 ASN A 21 -16.422 -7.623 -0.937 1.00 0.00 N ATOM 0 H ASN A 21 -15.574 -8.147 -3.677 1.00 0.00 H new ATOM 0 HA ASN A 21 -18.230 -7.753 -4.683 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -16.785 -5.950 -2.729 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -18.491 -6.344 -2.795 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -16.234 -8.337 -0.233 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -15.957 -6.717 -0.881 1.00 0.00 H new ATOM 291 N PRO A 22 -18.241 -5.417 -5.722 1.00 0.00 N ATOM 292 CA PRO A 22 -18.214 -4.250 -6.609 1.00 0.00 C ATOM 293 C PRO A 22 -17.685 -3.003 -5.909 1.00 0.00 C ATOM 294 O PRO A 22 -17.071 -2.140 -6.538 1.00 0.00 O ATOM 295 CB PRO A 22 -19.683 -4.064 -6.994 1.00 0.00 C ATOM 296 CG PRO A 22 -20.450 -4.674 -5.872 1.00 0.00 C ATOM 297 CD PRO A 22 -19.614 -5.821 -5.375 1.00 0.00 C ATOM 0 HA PRO A 22 -17.551 -4.400 -7.461 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -19.930 -3.009 -7.115 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -19.909 -4.555 -7.941 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -20.626 -3.947 -5.079 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -21.427 -5.020 -6.210 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -19.731 -5.968 -4.301 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -19.891 -6.759 -5.857 1.00 0.00 H new ATOM 305 N ASP A 23 -17.925 -2.914 -4.606 1.00 0.00 N ATOM 306 CA ASP A 23 -17.471 -1.773 -3.820 1.00 0.00 C ATOM 307 C ASP A 23 -15.949 -1.761 -3.708 1.00 0.00 C ATOM 308 O ASP A 23 -15.331 -0.699 -3.642 1.00 0.00 O ATOM 309 CB ASP A 23 -18.097 -1.805 -2.425 1.00 0.00 C ATOM 310 CG ASP A 23 -19.610 -1.726 -2.467 1.00 0.00 C ATOM 311 OD1 ASP A 23 -20.257 -2.789 -2.583 1.00 0.00 O ATOM 312 OD2 ASP A 23 -20.148 -0.603 -2.384 1.00 0.00 O ATOM 0 H ASP A 23 -18.432 -3.619 -4.071 1.00 0.00 H new ATOM 0 HA ASP A 23 -17.787 -0.863 -4.330 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -17.798 -2.722 -1.917 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -17.709 -0.973 -1.837 1.00 0.00 H new ATOM 317 N GLU A 24 -15.353 -2.949 -3.687 1.00 0.00 N ATOM 318 CA GLU A 24 -13.904 -3.074 -3.581 1.00 0.00 C ATOM 319 C GLU A 24 -13.227 -2.679 -4.891 1.00 0.00 C ATOM 320 O GLU A 24 -13.892 -2.445 -5.901 1.00 0.00 O ATOM 321 CB GLU A 24 -13.520 -4.507 -3.207 1.00 0.00 C ATOM 322 CG GLU A 24 -13.963 -4.911 -1.811 1.00 0.00 C ATOM 323 CD GLU A 24 -12.921 -4.599 -0.755 1.00 0.00 C ATOM 324 OE1 GLU A 24 -11.931 -5.354 -0.656 1.00 0.00 O ATOM 325 OE2 GLU A 24 -13.095 -3.599 -0.027 1.00 0.00 O ATOM 0 H GLU A 24 -15.851 -3.838 -3.742 1.00 0.00 H new ATOM 0 HA GLU A 24 -13.562 -2.398 -2.797 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -13.960 -5.193 -3.931 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -12.438 -4.615 -3.281 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -14.891 -4.394 -1.565 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -14.180 -5.979 -1.798 1.00 0.00 H new ATOM 332 N LEU A 25 -11.901 -2.607 -4.866 1.00 0.00 N ATOM 333 CA LEU A 25 -11.132 -2.240 -6.050 1.00 0.00 C ATOM 334 C LEU A 25 -10.018 -3.250 -6.310 1.00 0.00 C ATOM 335 O LEU A 25 -9.467 -3.835 -5.378 1.00 0.00 O ATOM 336 CB LEU A 25 -10.539 -0.840 -5.884 1.00 0.00 C ATOM 337 CG LEU A 25 -11.413 0.320 -6.360 1.00 0.00 C ATOM 338 CD1 LEU A 25 -10.681 1.643 -6.194 1.00 0.00 C ATOM 339 CD2 LEU A 25 -11.828 0.116 -7.810 1.00 0.00 C ATOM 0 H LEU A 25 -11.336 -2.798 -4.039 1.00 0.00 H new ATOM 0 HA LEU A 25 -11.806 -2.242 -6.906 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -10.310 -0.687 -4.829 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -9.593 -0.801 -6.424 1.00 0.00 H new ATOM 0 HG LEU A 25 -12.313 0.347 -5.746 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -11.319 2.457 -6.538 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -10.436 1.794 -5.143 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -9.763 1.627 -6.782 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -12.450 0.952 -8.132 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -10.939 0.062 -8.439 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -12.393 -0.812 -7.900 1.00 0.00 H new ATOM 351 N ASP A 26 -9.691 -3.447 -7.582 1.00 0.00 N ATOM 352 CA ASP A 26 -8.640 -4.383 -7.965 1.00 0.00 C ATOM 353 C ASP A 26 -7.301 -3.666 -8.112 1.00 0.00 C ATOM 354 O ASP A 26 -7.158 -2.756 -8.929 1.00 0.00 O ATOM 355 CB ASP A 26 -9.004 -5.083 -9.276 1.00 0.00 C ATOM 356 CG ASP A 26 -10.394 -5.686 -9.243 1.00 0.00 C ATOM 357 OD1 ASP A 26 -11.375 -4.914 -9.218 1.00 0.00 O ATOM 358 OD2 ASP A 26 -10.502 -6.930 -9.242 1.00 0.00 O ATOM 0 H ASP A 26 -10.138 -2.971 -8.366 1.00 0.00 H new ATOM 0 HA ASP A 26 -8.548 -5.130 -7.177 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -8.941 -4.368 -10.096 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -8.275 -5.868 -9.480 1.00 0.00 H new ATOM 363 N LEU A 27 -6.323 -4.082 -7.314 1.00 0.00 N ATOM 364 CA LEU A 27 -4.995 -3.480 -7.354 1.00 0.00 C ATOM 365 C LEU A 27 -4.086 -4.230 -8.321 1.00 0.00 C ATOM 366 O LEU A 27 -4.503 -5.197 -8.958 1.00 0.00 O ATOM 367 CB LEU A 27 -4.376 -3.471 -5.955 1.00 0.00 C ATOM 368 CG LEU A 27 -5.162 -2.724 -4.877 1.00 0.00 C ATOM 369 CD1 LEU A 27 -4.569 -2.990 -3.503 1.00 0.00 C ATOM 370 CD2 LEU A 27 -5.183 -1.231 -5.171 1.00 0.00 C ATOM 0 H LEU A 27 -6.425 -4.833 -6.632 1.00 0.00 H new ATOM 0 HA LEU A 27 -5.098 -2.453 -7.705 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -4.245 -4.503 -5.631 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -3.382 -3.030 -6.023 1.00 0.00 H new ATOM 0 HG LEU A 27 -6.189 -3.090 -4.884 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -5.142 -2.450 -2.749 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -4.607 -4.059 -3.291 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -3.533 -2.652 -3.482 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -5.747 -0.715 -4.394 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -4.162 -0.850 -5.192 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -5.655 -1.057 -6.138 1.00 0.00 H new ATOM 382 N SER A 28 -2.839 -3.780 -8.423 1.00 0.00 N ATOM 383 CA SER A 28 -1.870 -4.408 -9.314 1.00 0.00 C ATOM 384 C SER A 28 -0.477 -3.825 -9.098 1.00 0.00 C ATOM 385 O SER A 28 -0.242 -2.642 -9.343 1.00 0.00 O ATOM 386 CB SER A 28 -2.292 -4.223 -10.773 1.00 0.00 C ATOM 387 OG SER A 28 -1.485 -5.002 -11.639 1.00 0.00 O ATOM 0 H SER A 28 -2.476 -2.983 -7.900 1.00 0.00 H new ATOM 0 HA SER A 28 -1.839 -5.473 -9.085 1.00 0.00 H new ATOM 0 HB2 SER A 28 -3.338 -4.507 -10.891 1.00 0.00 H new ATOM 0 HB3 SER A 28 -2.215 -3.171 -11.047 1.00 0.00 H new ATOM 0 HG SER A 28 -1.775 -4.868 -12.565 1.00 0.00 H new ATOM 393 N ALA A 29 0.444 -4.665 -8.638 1.00 0.00 N ATOM 394 CA ALA A 29 1.815 -4.236 -8.390 1.00 0.00 C ATOM 395 C ALA A 29 2.281 -3.248 -9.455 1.00 0.00 C ATOM 396 O ALA A 29 2.439 -3.607 -10.621 1.00 0.00 O ATOM 397 CB ALA A 29 2.744 -5.439 -8.340 1.00 0.00 C ATOM 0 H ALA A 29 0.265 -5.647 -8.429 1.00 0.00 H new ATOM 0 HA ALA A 29 1.843 -3.730 -7.425 1.00 0.00 H new ATOM 0 HB1 ALA A 29 3.764 -5.103 -8.154 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.430 -6.108 -7.539 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.704 -5.969 -9.291 1.00 0.00 H new ATOM 403 N GLY A 30 2.500 -2.003 -9.045 1.00 0.00 N ATOM 404 CA GLY A 30 2.946 -0.983 -9.977 1.00 0.00 C ATOM 405 C GLY A 30 2.016 0.214 -10.014 1.00 0.00 C ATOM 406 O GLY A 30 2.467 1.358 -10.073 1.00 0.00 O ATOM 0 H GLY A 30 2.377 -1.682 -8.085 1.00 0.00 H new ATOM 0 HA2 GLY A 30 3.947 -0.653 -9.699 1.00 0.00 H new ATOM 0 HA3 GLY A 30 3.019 -1.414 -10.976 1.00 0.00 H new ATOM 410 N ASP A 31 0.714 -0.049 -9.982 1.00 0.00 N ATOM 411 CA ASP A 31 -0.282 1.015 -10.014 1.00 0.00 C ATOM 412 C ASP A 31 -0.115 1.951 -8.821 1.00 0.00 C ATOM 413 O ASP A 31 -0.019 1.504 -7.678 1.00 0.00 O ATOM 414 CB ASP A 31 -1.692 0.423 -10.020 1.00 0.00 C ATOM 415 CG ASP A 31 -2.167 0.074 -11.417 1.00 0.00 C ATOM 416 OD1 ASP A 31 -1.324 -0.322 -12.249 1.00 0.00 O ATOM 417 OD2 ASP A 31 -3.382 0.195 -11.678 1.00 0.00 O ATOM 0 H ASP A 31 0.324 -0.990 -9.934 1.00 0.00 H new ATOM 0 HA ASP A 31 -0.134 1.590 -10.928 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -1.710 -0.473 -9.399 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -2.384 1.136 -9.571 1.00 0.00 H new ATOM 422 N ILE A 32 -0.082 3.251 -9.095 1.00 0.00 N ATOM 423 CA ILE A 32 0.073 4.249 -8.044 1.00 0.00 C ATOM 424 C ILE A 32 -1.282 4.703 -7.513 1.00 0.00 C ATOM 425 O ILE A 32 -2.238 4.862 -8.274 1.00 0.00 O ATOM 426 CB ILE A 32 0.854 5.478 -8.546 1.00 0.00 C ATOM 427 CG1 ILE A 32 2.233 5.059 -9.060 1.00 0.00 C ATOM 428 CG2 ILE A 32 0.987 6.510 -7.436 1.00 0.00 C ATOM 429 CD1 ILE A 32 3.106 4.425 -7.999 1.00 0.00 C ATOM 0 H ILE A 32 -0.161 3.637 -10.036 1.00 0.00 H new ATOM 0 HA ILE A 32 0.635 3.775 -7.239 1.00 0.00 H new ATOM 0 HB ILE A 32 0.302 5.929 -9.371 1.00 0.00 H new ATOM 0 HG12 ILE A 32 2.107 4.356 -9.883 1.00 0.00 H new ATOM 0 HG13 ILE A 32 2.743 5.934 -9.463 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.541 7.373 -7.806 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -0.005 6.827 -7.113 1.00 0.00 H new ATOM 0 HG23 ILE A 32 1.520 6.071 -6.593 1.00 0.00 H new ATOM 0 HD11 ILE A 32 4.068 4.153 -8.434 1.00 0.00 H new ATOM 0 HD12 ILE A 32 3.263 5.134 -7.186 1.00 0.00 H new ATOM 0 HD13 ILE A 32 2.617 3.531 -7.612 1.00 0.00 H new ATOM 441 N LEU A 33 -1.358 4.913 -6.203 1.00 0.00 N ATOM 442 CA LEU A 33 -2.596 5.351 -5.569 1.00 0.00 C ATOM 443 C LEU A 33 -2.312 6.345 -4.448 1.00 0.00 C ATOM 444 O LEU A 33 -1.157 6.575 -4.088 1.00 0.00 O ATOM 445 CB LEU A 33 -3.364 4.148 -5.018 1.00 0.00 C ATOM 446 CG LEU A 33 -3.294 2.868 -5.851 1.00 0.00 C ATOM 447 CD1 LEU A 33 -2.030 2.087 -5.525 1.00 0.00 C ATOM 448 CD2 LEU A 33 -4.529 2.010 -5.614 1.00 0.00 C ATOM 0 H LEU A 33 -0.577 4.787 -5.560 1.00 0.00 H new ATOM 0 HA LEU A 33 -3.205 5.848 -6.324 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -2.987 3.928 -4.019 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.411 4.430 -4.909 1.00 0.00 H new ATOM 0 HG LEU A 33 -3.264 3.144 -6.905 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.998 1.179 -6.128 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -1.156 2.700 -5.746 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.029 1.821 -4.468 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.463 1.103 -6.215 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -4.589 1.743 -4.559 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.420 2.569 -5.898 1.00 0.00 H new ATOM 460 N GLU A 34 -3.372 6.930 -3.899 1.00 0.00 N ATOM 461 CA GLU A 34 -3.235 7.898 -2.817 1.00 0.00 C ATOM 462 C GLU A 34 -4.211 7.592 -1.686 1.00 0.00 C ATOM 463 O GLU A 34 -5.427 7.671 -1.861 1.00 0.00 O ATOM 464 CB GLU A 34 -3.471 9.317 -3.340 1.00 0.00 C ATOM 465 CG GLU A 34 -3.236 10.397 -2.297 1.00 0.00 C ATOM 466 CD GLU A 34 -3.924 11.703 -2.644 1.00 0.00 C ATOM 467 OE1 GLU A 34 -5.118 11.851 -2.308 1.00 0.00 O ATOM 468 OE2 GLU A 34 -3.270 12.576 -3.251 1.00 0.00 O ATOM 0 H GLU A 34 -4.334 6.751 -4.185 1.00 0.00 H new ATOM 0 HA GLU A 34 -2.220 7.826 -2.426 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -2.813 9.496 -4.191 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -4.494 9.394 -3.707 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -3.596 10.047 -1.330 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -2.165 10.571 -2.195 1.00 0.00 H new ATOM 475 N VAL A 35 -3.670 7.240 -0.524 1.00 0.00 N ATOM 476 CA VAL A 35 -4.492 6.921 0.638 1.00 0.00 C ATOM 477 C VAL A 35 -5.070 8.185 1.265 1.00 0.00 C ATOM 478 O VAL A 35 -4.364 9.177 1.449 1.00 0.00 O ATOM 479 CB VAL A 35 -3.685 6.155 1.703 1.00 0.00 C ATOM 480 CG1 VAL A 35 -2.400 6.898 2.037 1.00 0.00 C ATOM 481 CG2 VAL A 35 -4.525 5.938 2.953 1.00 0.00 C ATOM 0 H VAL A 35 -2.665 7.168 -0.362 1.00 0.00 H new ATOM 0 HA VAL A 35 -5.307 6.288 0.286 1.00 0.00 H new ATOM 0 HB VAL A 35 -3.417 5.179 1.298 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -1.843 6.342 2.791 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -1.793 6.997 1.137 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -2.642 7.889 2.422 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -3.939 5.395 3.695 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -4.825 6.903 3.362 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -5.413 5.360 2.699 1.00 0.00 H new ATOM 491 N ILE A 36 -6.357 8.141 1.591 1.00 0.00 N ATOM 492 CA ILE A 36 -7.030 9.282 2.200 1.00 0.00 C ATOM 493 C ILE A 36 -7.227 9.070 3.697 1.00 0.00 C ATOM 494 O ILE A 36 -7.044 9.990 4.495 1.00 0.00 O ATOM 495 CB ILE A 36 -8.399 9.543 1.545 1.00 0.00 C ATOM 496 CG1 ILE A 36 -8.238 9.737 0.035 1.00 0.00 C ATOM 497 CG2 ILE A 36 -9.063 10.759 2.173 1.00 0.00 C ATOM 498 CD1 ILE A 36 -7.600 11.056 -0.339 1.00 0.00 C ATOM 0 H ILE A 36 -6.955 7.328 1.444 1.00 0.00 H new ATOM 0 HA ILE A 36 -6.389 10.149 2.040 1.00 0.00 H new ATOM 0 HB ILE A 36 -9.038 8.676 1.715 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -7.633 8.923 -0.365 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -9.217 9.669 -0.439 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -10.030 10.931 1.700 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -9.207 10.585 3.239 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -8.429 11.634 2.031 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -7.517 11.126 -1.424 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -8.216 11.876 0.031 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -6.607 11.119 0.105 1.00 0.00 H new ATOM 510 N LEU A 37 -7.600 7.851 4.072 1.00 0.00 N ATOM 511 CA LEU A 37 -7.821 7.516 5.474 1.00 0.00 C ATOM 512 C LEU A 37 -7.377 6.087 5.769 1.00 0.00 C ATOM 513 O LEU A 37 -7.785 5.148 5.087 1.00 0.00 O ATOM 514 CB LEU A 37 -9.297 7.689 5.834 1.00 0.00 C ATOM 515 CG LEU A 37 -9.614 7.824 7.324 1.00 0.00 C ATOM 516 CD1 LEU A 37 -9.214 6.561 8.071 1.00 0.00 C ATOM 517 CD2 LEU A 37 -8.909 9.038 7.911 1.00 0.00 C ATOM 0 H LEU A 37 -7.756 7.078 3.424 1.00 0.00 H new ATOM 0 HA LEU A 37 -7.224 8.195 6.083 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -9.674 8.574 5.321 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -9.848 6.834 5.442 1.00 0.00 H new ATOM 0 HG LEU A 37 -10.689 7.963 7.436 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -9.447 6.675 9.130 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -9.764 5.710 7.668 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -8.144 6.391 7.951 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -9.146 9.119 8.972 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -7.832 8.928 7.787 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -9.244 9.938 7.395 1.00 0.00 H new ATOM 529 N GLU A 38 -6.541 5.931 6.791 1.00 0.00 N ATOM 530 CA GLU A 38 -6.044 4.616 7.176 1.00 0.00 C ATOM 531 C GLU A 38 -7.045 3.898 8.077 1.00 0.00 C ATOM 532 O GLU A 38 -7.589 4.486 9.010 1.00 0.00 O ATOM 533 CB GLU A 38 -4.698 4.744 7.892 1.00 0.00 C ATOM 534 CG GLU A 38 -3.574 5.233 6.993 1.00 0.00 C ATOM 535 CD GLU A 38 -3.469 6.745 6.961 1.00 0.00 C ATOM 536 OE1 GLU A 38 -3.439 7.362 8.046 1.00 0.00 O ATOM 537 OE2 GLU A 38 -3.416 7.312 5.849 1.00 0.00 O ATOM 0 H GLU A 38 -6.194 6.699 7.366 1.00 0.00 H new ATOM 0 HA GLU A 38 -5.910 4.027 6.269 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -4.806 5.432 8.731 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -4.424 3.775 8.308 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -2.629 4.814 7.339 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -3.736 4.862 5.981 1.00 0.00 H new ATOM 544 N GLY A 39 -7.284 2.622 7.788 1.00 0.00 N ATOM 545 CA GLY A 39 -8.219 1.845 8.580 1.00 0.00 C ATOM 546 C GLY A 39 -7.528 1.010 9.640 1.00 0.00 C ATOM 547 O GLY A 39 -6.593 0.268 9.342 1.00 0.00 O ATOM 0 H GLY A 39 -6.847 2.113 7.020 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -8.931 2.517 9.059 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -8.791 1.191 7.922 1.00 0.00 H new ATOM 551 N GLU A 40 -7.988 1.134 10.881 1.00 0.00 N ATOM 552 CA GLU A 40 -7.405 0.386 11.989 1.00 0.00 C ATOM 553 C GLU A 40 -7.610 -1.115 11.800 1.00 0.00 C ATOM 554 O GLU A 40 -6.728 -1.916 12.110 1.00 0.00 O ATOM 555 CB GLU A 40 -8.022 0.833 13.316 1.00 0.00 C ATOM 556 CG GLU A 40 -7.429 2.122 13.859 1.00 0.00 C ATOM 557 CD GLU A 40 -7.960 3.353 13.149 1.00 0.00 C ATOM 558 OE1 GLU A 40 -9.195 3.466 13.000 1.00 0.00 O ATOM 559 OE2 GLU A 40 -7.140 4.203 12.743 1.00 0.00 O ATOM 0 H GLU A 40 -8.762 1.744 11.144 1.00 0.00 H new ATOM 0 HA GLU A 40 -6.334 0.590 12.008 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -9.096 0.965 13.182 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -7.888 0.042 14.054 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.649 2.198 14.924 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -6.344 2.089 13.759 1.00 0.00 H new ATOM 566 N ASP A 41 -8.779 -1.486 11.290 1.00 0.00 N ATOM 567 CA ASP A 41 -9.100 -2.890 11.059 1.00 0.00 C ATOM 568 C ASP A 41 -8.186 -3.489 9.994 1.00 0.00 C ATOM 569 O ASP A 41 -7.655 -4.585 10.163 1.00 0.00 O ATOM 570 CB ASP A 41 -10.562 -3.037 10.634 1.00 0.00 C ATOM 571 CG ASP A 41 -11.500 -3.158 11.820 1.00 0.00 C ATOM 572 OD1 ASP A 41 -11.066 -3.679 12.868 1.00 0.00 O ATOM 573 OD2 ASP A 41 -12.668 -2.732 11.699 1.00 0.00 O ATOM 0 H ASP A 41 -9.520 -0.835 11.029 1.00 0.00 H new ATOM 0 HA ASP A 41 -8.944 -3.431 11.992 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -10.851 -2.175 10.032 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -10.666 -3.918 10.000 1.00 0.00 H new ATOM 578 N GLY A 42 -8.009 -2.761 8.896 1.00 0.00 N ATOM 579 CA GLY A 42 -7.160 -3.237 7.819 1.00 0.00 C ATOM 580 C GLY A 42 -7.543 -2.649 6.476 1.00 0.00 C ATOM 581 O GLY A 42 -6.729 -2.612 5.553 1.00 0.00 O ATOM 0 H GLY A 42 -8.438 -1.850 8.733 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -6.123 -2.985 8.040 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -7.220 -4.324 7.767 1.00 0.00 H new ATOM 585 N TRP A 43 -8.785 -2.192 6.365 1.00 0.00 N ATOM 586 CA TRP A 43 -9.275 -1.605 5.122 1.00 0.00 C ATOM 587 C TRP A 43 -8.767 -0.177 4.958 1.00 0.00 C ATOM 588 O TRP A 43 -9.119 0.710 5.736 1.00 0.00 O ATOM 589 CB TRP A 43 -10.804 -1.623 5.094 1.00 0.00 C ATOM 590 CG TRP A 43 -11.381 -3.004 5.018 1.00 0.00 C ATOM 591 CD1 TRP A 43 -12.118 -3.638 5.976 1.00 0.00 C ATOM 592 CD2 TRP A 43 -11.265 -3.922 3.925 1.00 0.00 C ATOM 593 NE1 TRP A 43 -12.469 -4.895 5.545 1.00 0.00 N ATOM 594 CE2 TRP A 43 -11.958 -5.093 4.289 1.00 0.00 C ATOM 595 CE3 TRP A 43 -10.646 -3.868 2.674 1.00 0.00 C ATOM 596 CZ2 TRP A 43 -12.046 -6.198 3.447 1.00 0.00 C ATOM 597 CZ3 TRP A 43 -10.734 -4.965 1.839 1.00 0.00 C ATOM 598 CH2 TRP A 43 -11.430 -6.117 2.228 1.00 0.00 C ATOM 0 H TRP A 43 -9.471 -2.216 7.119 1.00 0.00 H new ATOM 0 HA TRP A 43 -8.897 -2.202 4.292 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -11.182 -1.128 5.988 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -11.151 -1.044 4.238 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -12.386 -3.214 6.932 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -13.020 -5.571 6.074 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -10.108 -2.984 2.365 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -12.581 -7.087 3.745 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -10.258 -4.934 0.870 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -11.481 -6.958 1.552 1.00 0.00 H new ATOM 609 N TRP A 44 -7.941 0.039 3.941 1.00 0.00 N ATOM 610 CA TRP A 44 -7.385 1.362 3.675 1.00 0.00 C ATOM 611 C TRP A 44 -8.125 2.042 2.529 1.00 0.00 C ATOM 612 O TRP A 44 -8.356 1.438 1.480 1.00 0.00 O ATOM 613 CB TRP A 44 -5.896 1.255 3.346 1.00 0.00 C ATOM 614 CG TRP A 44 -5.032 1.061 4.556 1.00 0.00 C ATOM 615 CD1 TRP A 44 -5.287 0.247 5.623 1.00 0.00 C ATOM 616 CD2 TRP A 44 -3.776 1.694 4.823 1.00 0.00 C ATOM 617 NE1 TRP A 44 -4.265 0.337 6.537 1.00 0.00 N ATOM 618 CE2 TRP A 44 -3.326 1.217 6.070 1.00 0.00 C ATOM 619 CE3 TRP A 44 -2.988 2.617 4.130 1.00 0.00 C ATOM 620 CZ2 TRP A 44 -2.124 1.633 6.635 1.00 0.00 C ATOM 621 CZ3 TRP A 44 -1.795 3.029 4.693 1.00 0.00 C ATOM 622 CH2 TRP A 44 -1.371 2.537 5.935 1.00 0.00 C ATOM 0 H TRP A 44 -7.641 -0.684 3.287 1.00 0.00 H new ATOM 0 HA TRP A 44 -7.508 1.968 4.572 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -5.742 0.421 2.661 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -5.581 2.159 2.824 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -6.163 -0.376 5.732 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -4.214 -0.170 7.421 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -3.306 3.001 3.172 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -1.797 1.256 7.593 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -1.179 3.743 4.167 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -0.433 2.877 6.348 1.00 0.00 H new ATOM 633 N THR A 45 -8.494 3.302 2.733 1.00 0.00 N ATOM 634 CA THR A 45 -9.209 4.064 1.717 1.00 0.00 C ATOM 635 C THR A 45 -8.239 4.737 0.752 1.00 0.00 C ATOM 636 O THR A 45 -7.517 5.662 1.126 1.00 0.00 O ATOM 637 CB THR A 45 -10.112 5.138 2.351 1.00 0.00 C ATOM 638 OG1 THR A 45 -11.124 4.517 3.152 1.00 0.00 O ATOM 639 CG2 THR A 45 -10.764 5.998 1.279 1.00 0.00 C ATOM 0 H THR A 45 -8.309 3.817 3.594 1.00 0.00 H new ATOM 0 HA THR A 45 -9.830 3.355 1.169 1.00 0.00 H new ATOM 0 HB THR A 45 -9.492 5.777 2.980 1.00 0.00 H new ATOM 0 HG1 THR A 45 -11.719 3.992 2.577 1.00 0.00 H new ATOM 0 HG21 THR A 45 -11.397 6.749 1.751 1.00 0.00 H new ATOM 0 HG22 THR A 45 -9.992 6.492 0.690 1.00 0.00 H new ATOM 0 HG23 THR A 45 -11.371 5.369 0.628 1.00 0.00 H new ATOM 647 N VAL A 46 -8.228 4.268 -0.492 1.00 0.00 N ATOM 648 CA VAL A 46 -7.348 4.827 -1.512 1.00 0.00 C ATOM 649 C VAL A 46 -8.124 5.173 -2.777 1.00 0.00 C ATOM 650 O VAL A 46 -9.169 4.587 -3.056 1.00 0.00 O ATOM 651 CB VAL A 46 -6.213 3.849 -1.870 1.00 0.00 C ATOM 652 CG1 VAL A 46 -5.412 3.483 -0.629 1.00 0.00 C ATOM 653 CG2 VAL A 46 -6.774 2.603 -2.539 1.00 0.00 C ATOM 0 H VAL A 46 -8.818 3.503 -0.818 1.00 0.00 H new ATOM 0 HA VAL A 46 -6.916 5.736 -1.094 1.00 0.00 H new ATOM 0 HB VAL A 46 -5.542 4.341 -2.574 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.615 2.791 -0.901 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -4.978 4.385 -0.197 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -6.069 3.010 0.101 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -5.958 1.923 -2.785 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -7.468 2.107 -1.860 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -7.299 2.885 -3.452 1.00 0.00 H new ATOM 663 N GLU A 47 -7.604 6.129 -3.541 1.00 0.00 N ATOM 664 CA GLU A 47 -8.249 6.553 -4.778 1.00 0.00 C ATOM 665 C GLU A 47 -7.375 6.230 -5.986 1.00 0.00 C ATOM 666 O GLU A 47 -6.179 6.522 -5.997 1.00 0.00 O ATOM 667 CB GLU A 47 -8.544 8.054 -4.736 1.00 0.00 C ATOM 668 CG GLU A 47 -9.683 8.476 -5.649 1.00 0.00 C ATOM 669 CD GLU A 47 -9.871 9.980 -5.692 1.00 0.00 C ATOM 670 OE1 GLU A 47 -9.185 10.642 -6.498 1.00 0.00 O ATOM 671 OE2 GLU A 47 -10.705 10.495 -4.918 1.00 0.00 O ATOM 0 H GLU A 47 -6.739 6.624 -3.325 1.00 0.00 H new ATOM 0 HA GLU A 47 -9.188 6.007 -4.874 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -8.785 8.340 -3.712 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -7.644 8.601 -5.016 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -9.490 8.109 -6.657 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -10.607 8.008 -5.310 1.00 0.00 H new ATOM 678 N ARG A 48 -7.980 5.624 -7.002 1.00 0.00 N ATOM 679 CA ARG A 48 -7.258 5.258 -8.214 1.00 0.00 C ATOM 680 C ARG A 48 -7.978 5.780 -9.454 1.00 0.00 C ATOM 681 O ARG A 48 -9.055 5.300 -9.806 1.00 0.00 O ATOM 682 CB ARG A 48 -7.103 3.739 -8.303 1.00 0.00 C ATOM 683 CG ARG A 48 -6.282 3.279 -9.496 1.00 0.00 C ATOM 684 CD ARG A 48 -6.132 1.766 -9.519 1.00 0.00 C ATOM 685 NE ARG A 48 -5.010 1.314 -8.701 1.00 0.00 N ATOM 686 CZ ARG A 48 -4.550 0.068 -8.708 1.00 0.00 C ATOM 687 NH1 ARG A 48 -5.112 -0.846 -9.486 1.00 0.00 N ATOM 688 NH2 ARG A 48 -3.524 -0.266 -7.935 1.00 0.00 N ATOM 0 H ARG A 48 -8.969 5.376 -7.010 1.00 0.00 H new ATOM 0 HA ARG A 48 -6.269 5.715 -8.169 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -6.634 3.376 -7.388 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -8.092 3.284 -8.356 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -6.759 3.612 -10.418 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -5.296 3.743 -9.461 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -7.052 1.305 -9.159 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -5.989 1.432 -10.547 1.00 0.00 H new ATOM 0 HE ARG A 48 -4.554 1.992 -8.091 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -5.900 -0.594 -10.082 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -4.756 -1.802 -9.489 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -3.088 0.434 -7.335 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -3.171 -1.223 -7.941 1.00 0.00 H new ATOM 702 N ASN A 49 -7.375 6.765 -10.111 1.00 0.00 N ATOM 703 CA ASN A 49 -7.959 7.353 -11.311 1.00 0.00 C ATOM 704 C ASN A 49 -9.337 7.938 -11.016 1.00 0.00 C ATOM 705 O ASN A 49 -10.219 7.940 -11.873 1.00 0.00 O ATOM 706 CB ASN A 49 -8.066 6.303 -12.419 1.00 0.00 C ATOM 707 CG ASN A 49 -8.200 6.926 -13.795 1.00 0.00 C ATOM 708 OD1 ASN A 49 -7.593 7.957 -14.084 1.00 0.00 O ATOM 709 ND2 ASN A 49 -8.998 6.300 -14.653 1.00 0.00 N ATOM 0 H ASN A 49 -6.482 7.173 -9.833 1.00 0.00 H new ATOM 0 HA ASN A 49 -7.305 8.159 -11.644 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -7.183 5.664 -12.397 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -8.927 5.663 -12.227 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -9.127 6.672 -15.594 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -9.482 5.448 -14.371 1.00 0.00 H new ATOM 716 N GLY A 50 -9.514 8.434 -9.795 1.00 0.00 N ATOM 717 CA GLY A 50 -10.786 9.015 -9.407 1.00 0.00 C ATOM 718 C GLY A 50 -11.706 8.008 -8.747 1.00 0.00 C ATOM 719 O GLY A 50 -12.617 8.381 -8.009 1.00 0.00 O ATOM 0 H GLY A 50 -8.799 8.444 -9.068 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -10.609 9.844 -8.722 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -11.277 9.428 -10.288 1.00 0.00 H new ATOM 723 N GLN A 51 -11.470 6.728 -9.016 1.00 0.00 N ATOM 724 CA GLN A 51 -12.287 5.664 -8.444 1.00 0.00 C ATOM 725 C GLN A 51 -11.868 5.367 -7.008 1.00 0.00 C ATOM 726 O GLN A 51 -10.704 5.066 -6.741 1.00 0.00 O ATOM 727 CB GLN A 51 -12.178 4.396 -9.293 1.00 0.00 C ATOM 728 CG GLN A 51 -12.846 4.515 -10.653 1.00 0.00 C ATOM 729 CD GLN A 51 -12.308 3.514 -11.657 1.00 0.00 C ATOM 730 OE1 GLN A 51 -11.266 2.895 -11.436 1.00 0.00 O ATOM 731 NE2 GLN A 51 -13.016 3.350 -12.767 1.00 0.00 N ATOM 0 H GLN A 51 -10.720 6.403 -9.626 1.00 0.00 H new ATOM 0 HA GLN A 51 -13.324 6.000 -8.438 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -11.125 4.153 -9.435 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -12.626 3.565 -8.749 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -13.920 4.369 -10.540 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -12.700 5.524 -11.038 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -13.873 3.884 -12.909 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -12.703 2.690 -13.479 1.00 0.00 H new ATOM 740 N ARG A 52 -12.823 5.454 -6.088 1.00 0.00 N ATOM 741 CA ARG A 52 -12.552 5.196 -4.679 1.00 0.00 C ATOM 742 C ARG A 52 -12.971 3.780 -4.295 1.00 0.00 C ATOM 743 O ARG A 52 -14.032 3.305 -4.697 1.00 0.00 O ATOM 744 CB ARG A 52 -13.286 6.212 -3.802 1.00 0.00 C ATOM 745 CG ARG A 52 -12.491 7.482 -3.546 1.00 0.00 C ATOM 746 CD ARG A 52 -13.155 8.351 -2.489 1.00 0.00 C ATOM 747 NE ARG A 52 -14.191 9.209 -3.058 1.00 0.00 N ATOM 748 CZ ARG A 52 -15.437 8.808 -3.282 1.00 0.00 C ATOM 749 NH1 ARG A 52 -15.801 7.568 -2.986 1.00 0.00 N ATOM 750 NH2 ARG A 52 -16.322 9.648 -3.803 1.00 0.00 N ATOM 0 H ARG A 52 -13.791 5.701 -6.293 1.00 0.00 H new ATOM 0 HA ARG A 52 -11.479 5.295 -4.517 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -14.231 6.475 -4.278 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -13.529 5.747 -2.847 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -11.482 7.223 -3.224 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -12.395 8.046 -4.474 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -13.593 7.715 -1.720 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -12.401 8.968 -2.001 1.00 0.00 H new ATOM 0 HE ARG A 52 -13.944 10.169 -3.297 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -15.123 6.919 -2.585 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -16.759 7.263 -3.159 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -16.046 10.603 -4.032 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -17.279 9.339 -3.975 1.00 0.00 H new ATOM 764 N GLY A 53 -12.129 3.110 -3.514 1.00 0.00 N ATOM 765 CA GLY A 53 -12.429 1.755 -3.090 1.00 0.00 C ATOM 766 C GLY A 53 -11.739 1.388 -1.791 1.00 0.00 C ATOM 767 O GLY A 53 -11.071 2.220 -1.177 1.00 0.00 O ATOM 0 H GLY A 53 -11.245 3.482 -3.167 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -13.507 1.646 -2.969 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -12.123 1.057 -3.870 1.00 0.00 H new ATOM 771 N PHE A 54 -11.900 0.138 -1.370 1.00 0.00 N ATOM 772 CA PHE A 54 -11.289 -0.337 -0.134 1.00 0.00 C ATOM 773 C PHE A 54 -10.427 -1.569 -0.392 1.00 0.00 C ATOM 774 O PHE A 54 -10.860 -2.519 -1.045 1.00 0.00 O ATOM 775 CB PHE A 54 -12.368 -0.664 0.901 1.00 0.00 C ATOM 776 CG PHE A 54 -13.266 0.497 1.218 1.00 0.00 C ATOM 777 CD1 PHE A 54 -12.905 1.426 2.180 1.00 0.00 C ATOM 778 CD2 PHE A 54 -14.471 0.660 0.553 1.00 0.00 C ATOM 779 CE1 PHE A 54 -13.730 2.495 2.474 1.00 0.00 C ATOM 780 CE2 PHE A 54 -15.300 1.727 0.843 1.00 0.00 C ATOM 781 CZ PHE A 54 -14.929 2.647 1.804 1.00 0.00 C ATOM 0 H PHE A 54 -12.448 -0.564 -1.866 1.00 0.00 H new ATOM 0 HA PHE A 54 -10.651 0.457 0.255 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -12.974 -1.492 0.533 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -11.888 -1.003 1.819 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -11.969 1.314 2.706 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -14.766 -0.055 -0.201 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -13.438 3.212 3.227 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -16.237 1.841 0.319 1.00 0.00 H new ATOM 0 HZ PHE A 54 -15.574 3.483 2.031 1.00 0.00 H new ATOM 791 N VAL A 55 -9.202 -1.546 0.124 1.00 0.00 N ATOM 792 CA VAL A 55 -8.277 -2.660 -0.049 1.00 0.00 C ATOM 793 C VAL A 55 -7.400 -2.843 1.184 1.00 0.00 C ATOM 794 O VAL A 55 -7.105 -1.895 1.913 1.00 0.00 O ATOM 795 CB VAL A 55 -7.376 -2.454 -1.281 1.00 0.00 C ATOM 796 CG1 VAL A 55 -8.217 -2.180 -2.519 1.00 0.00 C ATOM 797 CG2 VAL A 55 -6.389 -1.323 -1.036 1.00 0.00 C ATOM 0 H VAL A 55 -8.827 -0.767 0.666 1.00 0.00 H new ATOM 0 HA VAL A 55 -8.882 -3.555 -0.196 1.00 0.00 H new ATOM 0 HB VAL A 55 -6.810 -3.369 -1.452 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -7.563 -2.037 -3.379 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -8.879 -3.026 -2.703 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -8.812 -1.280 -2.363 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -5.760 -1.191 -1.917 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -6.935 -0.400 -0.838 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -5.764 -1.566 -0.177 1.00 0.00 H new ATOM 807 N PRO A 56 -6.971 -4.091 1.425 1.00 0.00 N ATOM 808 CA PRO A 56 -6.120 -4.428 2.569 1.00 0.00 C ATOM 809 C PRO A 56 -4.709 -3.865 2.428 1.00 0.00 C ATOM 810 O PRO A 56 -4.079 -3.998 1.380 1.00 0.00 O ATOM 811 CB PRO A 56 -6.089 -5.958 2.550 1.00 0.00 C ATOM 812 CG PRO A 56 -6.356 -6.325 1.131 1.00 0.00 C ATOM 813 CD PRO A 56 -7.284 -5.268 0.598 1.00 0.00 C ATOM 0 HA PRO A 56 -6.502 -4.007 3.499 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -5.123 -6.338 2.882 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -6.843 -6.378 3.216 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -5.431 -6.358 0.556 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -6.810 -7.314 1.062 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -7.107 -5.074 -0.460 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -8.329 -5.563 0.698 1.00 0.00 H new ATOM 821 N GLY A 57 -4.218 -3.237 3.492 1.00 0.00 N ATOM 822 CA GLY A 57 -2.885 -2.664 3.466 1.00 0.00 C ATOM 823 C GLY A 57 -1.826 -3.679 3.084 1.00 0.00 C ATOM 824 O GLY A 57 -0.865 -3.351 2.387 1.00 0.00 O ATOM 0 H GLY A 57 -4.720 -3.115 4.372 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -2.862 -1.836 2.758 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -2.651 -2.251 4.447 1.00 0.00 H new ATOM 828 N SER A 58 -1.999 -4.914 3.542 1.00 0.00 N ATOM 829 CA SER A 58 -1.047 -5.979 3.249 1.00 0.00 C ATOM 830 C SER A 58 -0.624 -5.940 1.784 1.00 0.00 C ATOM 831 O SER A 58 0.493 -6.328 1.438 1.00 0.00 O ATOM 832 CB SER A 58 -1.657 -7.343 3.579 1.00 0.00 C ATOM 833 OG SER A 58 -1.693 -7.559 4.979 1.00 0.00 O ATOM 0 H SER A 58 -2.790 -5.202 4.118 1.00 0.00 H new ATOM 0 HA SER A 58 -0.164 -5.824 3.869 1.00 0.00 H new ATOM 0 HB2 SER A 58 -2.667 -7.402 3.173 1.00 0.00 H new ATOM 0 HB3 SER A 58 -1.075 -8.131 3.101 1.00 0.00 H new ATOM 0 HG SER A 58 -2.088 -8.436 5.165 1.00 0.00 H new ATOM 839 N TYR A 59 -1.523 -5.470 0.927 1.00 0.00 N ATOM 840 CA TYR A 59 -1.245 -5.383 -0.502 1.00 0.00 C ATOM 841 C TYR A 59 -0.913 -3.949 -0.906 1.00 0.00 C ATOM 842 O TYR A 59 -1.262 -3.503 -1.999 1.00 0.00 O ATOM 843 CB TYR A 59 -2.443 -5.887 -1.308 1.00 0.00 C ATOM 844 CG TYR A 59 -2.730 -7.359 -1.110 1.00 0.00 C ATOM 845 CD1 TYR A 59 -3.205 -7.837 0.104 1.00 0.00 C ATOM 846 CD2 TYR A 59 -2.526 -8.270 -2.139 1.00 0.00 C ATOM 847 CE1 TYR A 59 -3.467 -9.181 0.289 1.00 0.00 C ATOM 848 CE2 TYR A 59 -2.787 -9.615 -1.964 1.00 0.00 C ATOM 849 CZ TYR A 59 -3.257 -10.066 -0.748 1.00 0.00 C ATOM 850 OH TYR A 59 -3.518 -11.405 -0.568 1.00 0.00 O ATOM 0 H TYR A 59 -2.451 -5.143 1.197 1.00 0.00 H new ATOM 0 HA TYR A 59 -0.381 -6.012 -0.717 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -3.326 -5.312 -1.028 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -2.263 -5.700 -2.367 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -3.373 -7.147 0.917 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -2.157 -7.921 -3.092 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -3.834 -9.537 1.240 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -2.624 -10.310 -2.775 1.00 0.00 H new ATOM 0 HH TYR A 59 -3.319 -11.891 -1.395 1.00 0.00 H new ATOM 860 N LEU A 60 -0.237 -3.233 -0.015 1.00 0.00 N ATOM 861 CA LEU A 60 0.144 -1.849 -0.277 1.00 0.00 C ATOM 862 C LEU A 60 1.558 -1.569 0.223 1.00 0.00 C ATOM 863 O LEU A 60 1.928 -1.975 1.325 1.00 0.00 O ATOM 864 CB LEU A 60 -0.844 -0.892 0.391 1.00 0.00 C ATOM 865 CG LEU A 60 -2.254 -0.862 -0.200 1.00 0.00 C ATOM 866 CD1 LEU A 60 -3.194 -0.073 0.698 1.00 0.00 C ATOM 867 CD2 LEU A 60 -2.231 -0.270 -1.602 1.00 0.00 C ATOM 0 H LEU A 60 0.059 -3.587 0.895 1.00 0.00 H new ATOM 0 HA LEU A 60 0.122 -1.690 -1.355 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.919 -1.157 1.446 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -0.431 0.116 0.345 1.00 0.00 H new ATOM 0 HG LEU A 60 -2.622 -1.886 -0.264 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.192 -0.063 0.260 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -3.234 -0.539 1.682 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.831 0.950 0.796 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.243 -0.256 -2.008 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.843 0.748 -1.561 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -1.591 -0.877 -2.243 1.00 0.00 H new ATOM 879 N GLU A 61 2.342 -0.871 -0.592 1.00 0.00 N ATOM 880 CA GLU A 61 3.714 -0.536 -0.231 1.00 0.00 C ATOM 881 C GLU A 61 3.853 0.957 0.051 1.00 0.00 C ATOM 882 O GLU A 61 3.695 1.787 -0.844 1.00 0.00 O ATOM 883 CB GLU A 61 4.674 -0.947 -1.349 1.00 0.00 C ATOM 884 CG GLU A 61 6.102 -0.478 -1.128 1.00 0.00 C ATOM 885 CD GLU A 61 7.004 -0.777 -2.310 1.00 0.00 C ATOM 886 OE1 GLU A 61 6.887 -0.078 -3.338 1.00 0.00 O ATOM 887 OE2 GLU A 61 7.828 -1.710 -2.206 1.00 0.00 O ATOM 0 H GLU A 61 2.050 -0.527 -1.507 1.00 0.00 H new ATOM 0 HA GLU A 61 3.968 -1.085 0.676 1.00 0.00 H new ATOM 0 HB2 GLU A 61 4.667 -2.033 -1.441 1.00 0.00 H new ATOM 0 HB3 GLU A 61 4.311 -0.545 -2.295 1.00 0.00 H new ATOM 0 HG2 GLU A 61 6.103 0.595 -0.938 1.00 0.00 H new ATOM 0 HG3 GLU A 61 6.505 -0.960 -0.237 1.00 0.00 H new ATOM 894 N LYS A 62 4.150 1.292 1.302 1.00 0.00 N ATOM 895 CA LYS A 62 4.312 2.684 1.705 1.00 0.00 C ATOM 896 C LYS A 62 5.618 3.258 1.164 1.00 0.00 C ATOM 897 O LYS A 62 6.702 2.913 1.636 1.00 0.00 O ATOM 898 CB LYS A 62 4.283 2.802 3.230 1.00 0.00 C ATOM 899 CG LYS A 62 4.402 4.230 3.732 1.00 0.00 C ATOM 900 CD LYS A 62 4.978 4.282 5.137 1.00 0.00 C ATOM 901 CE LYS A 62 3.886 4.191 6.191 1.00 0.00 C ATOM 902 NZ LYS A 62 3.367 5.535 6.569 1.00 0.00 N ATOM 0 H LYS A 62 4.284 0.617 2.055 1.00 0.00 H new ATOM 0 HA LYS A 62 3.483 3.256 1.287 1.00 0.00 H new ATOM 0 HB2 LYS A 62 3.353 2.371 3.602 1.00 0.00 H new ATOM 0 HB3 LYS A 62 5.098 2.210 3.647 1.00 0.00 H new ATOM 0 HG2 LYS A 62 5.037 4.802 3.056 1.00 0.00 H new ATOM 0 HG3 LYS A 62 3.420 4.703 3.723 1.00 0.00 H new ATOM 0 HD2 LYS A 62 5.685 3.463 5.272 1.00 0.00 H new ATOM 0 HD3 LYS A 62 5.536 5.209 5.269 1.00 0.00 H new ATOM 0 HE2 LYS A 62 3.067 3.578 5.814 1.00 0.00 H new ATOM 0 HE3 LYS A 62 4.277 3.690 7.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 2.938 5.488 7.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 4.150 6.220 6.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 2.650 5.837 5.879 1.00 0.00 H new ATOM 916 N LEU A 63 5.507 4.136 0.173 1.00 0.00 N ATOM 917 CA LEU A 63 6.679 4.760 -0.431 1.00 0.00 C ATOM 918 C LEU A 63 7.347 5.723 0.545 1.00 0.00 C ATOM 919 O LEU A 63 6.768 6.742 0.922 1.00 0.00 O ATOM 920 CB LEU A 63 6.285 5.503 -1.709 1.00 0.00 C ATOM 921 CG LEU A 63 6.061 4.635 -2.948 1.00 0.00 C ATOM 922 CD1 LEU A 63 7.383 4.080 -3.456 1.00 0.00 C ATOM 923 CD2 LEU A 63 5.090 3.505 -2.640 1.00 0.00 C ATOM 0 H LEU A 63 4.618 4.432 -0.229 1.00 0.00 H new ATOM 0 HA LEU A 63 7.390 3.973 -0.681 1.00 0.00 H new ATOM 0 HB2 LEU A 63 5.371 6.063 -1.512 1.00 0.00 H new ATOM 0 HB3 LEU A 63 7.063 6.232 -1.936 1.00 0.00 H new ATOM 0 HG LEU A 63 5.626 5.257 -3.730 1.00 0.00 H new ATOM 0 HD11 LEU A 63 7.204 3.465 -4.338 1.00 0.00 H new ATOM 0 HD12 LEU A 63 8.047 4.904 -3.717 1.00 0.00 H new ATOM 0 HD13 LEU A 63 7.846 3.473 -2.678 1.00 0.00 H new ATOM 0 HD21 LEU A 63 4.943 2.898 -3.533 1.00 0.00 H new ATOM 0 HD22 LEU A 63 5.496 2.884 -1.842 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.134 3.923 -2.324 1.00 0.00 H new ATOM 935 N SER A 64 8.570 5.394 0.950 1.00 0.00 N ATOM 936 CA SER A 64 9.317 6.229 1.883 1.00 0.00 C ATOM 937 C SER A 64 9.834 7.487 1.193 1.00 0.00 C ATOM 938 O SER A 64 10.471 7.416 0.143 1.00 0.00 O ATOM 939 CB SER A 64 10.486 5.443 2.480 1.00 0.00 C ATOM 940 OG SER A 64 11.281 6.268 3.314 1.00 0.00 O ATOM 0 H SER A 64 9.064 4.555 0.646 1.00 0.00 H new ATOM 0 HA SER A 64 8.642 6.528 2.685 1.00 0.00 H new ATOM 0 HB2 SER A 64 10.105 4.599 3.055 1.00 0.00 H new ATOM 0 HB3 SER A 64 11.099 5.032 1.678 1.00 0.00 H new ATOM 0 HG SER A 64 12.020 5.742 3.685 1.00 0.00 H new ATOM 946 N GLY A 65 9.553 8.641 1.791 1.00 0.00 N ATOM 947 CA GLY A 65 9.997 9.900 1.221 1.00 0.00 C ATOM 948 C GLY A 65 9.067 10.403 0.135 1.00 0.00 C ATOM 949 O GLY A 65 8.472 9.626 -0.612 1.00 0.00 O ATOM 0 H GLY A 65 9.026 8.726 2.660 1.00 0.00 H new ATOM 0 HA2 GLY A 65 10.067 10.648 2.010 1.00 0.00 H new ATOM 0 HA3 GLY A 65 10.999 9.776 0.809 1.00 0.00 H new ATOM 953 N PRO A 66 8.931 11.734 0.037 1.00 0.00 N ATOM 954 CA PRO A 66 8.067 12.370 -0.962 1.00 0.00 C ATOM 955 C PRO A 66 8.614 12.224 -2.378 1.00 0.00 C ATOM 956 O PRO A 66 7.962 12.609 -3.348 1.00 0.00 O ATOM 957 CB PRO A 66 8.061 13.841 -0.541 1.00 0.00 C ATOM 958 CG PRO A 66 9.339 14.028 0.203 1.00 0.00 C ATOM 959 CD PRO A 66 9.610 12.720 0.894 1.00 0.00 C ATOM 0 HA PRO A 66 7.076 11.917 -0.991 1.00 0.00 H new ATOM 0 HB2 PRO A 66 8.007 14.500 -1.407 1.00 0.00 H new ATOM 0 HB3 PRO A 66 7.200 14.069 0.087 1.00 0.00 H new ATOM 0 HG2 PRO A 66 10.152 14.287 -0.476 1.00 0.00 H new ATOM 0 HG3 PRO A 66 9.255 14.841 0.924 1.00 0.00 H new ATOM 0 HD2 PRO A 66 10.679 12.519 0.969 1.00 0.00 H new ATOM 0 HD3 PRO A 66 9.212 12.712 1.909 1.00 0.00 H new ATOM 967 N SER A 67 9.814 11.664 -2.489 1.00 0.00 N ATOM 968 CA SER A 67 10.450 11.470 -3.787 1.00 0.00 C ATOM 969 C SER A 67 10.857 12.807 -4.398 1.00 0.00 C ATOM 970 O SER A 67 10.692 13.030 -5.597 1.00 0.00 O ATOM 971 CB SER A 67 9.505 10.730 -4.736 1.00 0.00 C ATOM 972 OG SER A 67 10.186 10.302 -5.903 1.00 0.00 O ATOM 0 H SER A 67 10.366 11.337 -1.696 1.00 0.00 H new ATOM 0 HA SER A 67 11.348 10.870 -3.638 1.00 0.00 H new ATOM 0 HB2 SER A 67 9.074 9.868 -4.226 1.00 0.00 H new ATOM 0 HB3 SER A 67 8.678 11.383 -5.013 1.00 0.00 H new ATOM 0 HG SER A 67 10.563 11.079 -6.366 1.00 0.00 H new ATOM 978 N SER A 68 11.390 13.694 -3.564 1.00 0.00 N ATOM 979 CA SER A 68 11.818 15.011 -4.019 1.00 0.00 C ATOM 980 C SER A 68 13.306 15.012 -4.358 1.00 0.00 C ATOM 981 O SER A 68 14.049 14.124 -3.942 1.00 0.00 O ATOM 982 CB SER A 68 11.527 16.064 -2.948 1.00 0.00 C ATOM 983 OG SER A 68 12.174 15.744 -1.729 1.00 0.00 O ATOM 0 H SER A 68 11.536 13.524 -2.569 1.00 0.00 H new ATOM 0 HA SER A 68 11.257 15.256 -4.921 1.00 0.00 H new ATOM 0 HB2 SER A 68 11.861 17.042 -3.295 1.00 0.00 H new ATOM 0 HB3 SER A 68 10.452 16.134 -2.785 1.00 0.00 H new ATOM 0 HG SER A 68 11.974 16.433 -1.062 1.00 0.00 H new ATOM 989 N GLY A 69 13.733 16.017 -5.117 1.00 0.00 N ATOM 990 CA GLY A 69 15.130 16.116 -5.500 1.00 0.00 C ATOM 991 C GLY A 69 15.307 16.390 -6.980 1.00 0.00 C ATOM 992 O GLY A 69 16.408 16.258 -7.515 1.00 0.00 O ATOM 0 H GLY A 69 13.137 16.764 -5.473 1.00 0.00 H new ATOM 0 HA2 GLY A 69 15.605 16.912 -4.927 1.00 0.00 H new ATOM 0 HA3 GLY A 69 15.641 15.189 -5.242 1.00 0.00 H new TER 996 GLY A 69