USER MOD reduce.3.24.130724 H: found=0, std=0, add=494, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 496 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 ASN : amide:sc= -0.0762 K(o=-0.075,f=-0.92) USER MOD Set 1.2: A 70 TYR OH : rot 180:sc= 0.00145 USER MOD Set 2.1: A 32 TYR OH : rot 180:sc= -0.0961 USER MOD Set 2.2: A 52 LYS NZ :NH3+ 144:sc= 1.01 (180deg=0.177) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 MET CE :methyl 144:sc= -0.639 (180deg=-2.22!) USER MOD Single : A 24 LYS NZ :NH3+ -163:sc= 1.22 (180deg=0.497) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= 0.725 K(o=0.73,f=0) USER MOD Single : A 50 MET CE :methyl 139:sc= -0.326 (180deg=-2.28!) USER MOD Single : A 60 LYS NZ :NH3+ -165:sc=-0.00744 (180deg=-0.146) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 84 N ALA A 6 -11.690 1.938 0.800 1.00 52.34 N ATOM 85 CA ALA A 6 -10.828 1.974 -0.368 1.00 55.42 C ATOM 86 C ALA A 6 -9.410 2.364 0.039 1.00 11.12 C ATOM 87 O ALA A 6 -8.474 1.729 -0.432 1.00 43.21 O ATOM 88 CB ALA A 6 -11.402 2.933 -1.419 1.00 60.32 C ATOM 0 HA ALA A 6 -10.783 0.981 -0.816 1.00 55.42 H new ATOM 0 HB1 ALA A 6 -10.747 2.952 -2.290 1.00 60.32 H new ATOM 0 HB2 ALA A 6 -12.394 2.594 -1.718 1.00 60.32 H new ATOM 0 HB3 ALA A 6 -11.473 3.935 -0.997 1.00 60.32 H new ATOM 94 N GLU A 7 -9.242 3.370 0.909 1.00 63.30 N ATOM 95 CA GLU A 7 -7.922 3.864 1.318 1.00 22.51 C ATOM 96 C GLU A 7 -7.113 2.736 1.959 1.00 75.41 C ATOM 97 O GLU A 7 -6.032 2.387 1.474 1.00 35.35 O ATOM 98 CB GLU A 7 -8.073 5.080 2.268 1.00 24.44 C ATOM 99 CG GLU A 7 -7.919 6.413 1.509 1.00 62.20 C ATOM 100 CD GLU A 7 -8.533 7.651 2.197 1.00 72.23 C ATOM 101 OE1 GLU A 7 -9.561 7.547 2.913 1.00 61.20 O ATOM 102 OE2 GLU A 7 -8.080 8.771 1.869 1.00 60.41 O ATOM 0 H GLU A 7 -10.019 3.864 1.349 1.00 63.30 H new ATOM 0 HA GLU A 7 -7.376 4.203 0.438 1.00 22.51 H new ATOM 0 HB2 GLU A 7 -9.049 5.046 2.751 1.00 24.44 H new ATOM 0 HB3 GLU A 7 -7.324 5.021 3.058 1.00 24.44 H new ATOM 0 HG2 GLU A 7 -6.857 6.598 1.350 1.00 62.20 H new ATOM 0 HG3 GLU A 7 -8.375 6.304 0.525 1.00 62.20 H new ATOM 109 N ALA A 8 -7.673 2.118 2.999 1.00 51.21 N ATOM 110 CA ALA A 8 -7.043 1.022 3.709 1.00 24.32 C ATOM 111 C ALA A 8 -6.764 -0.145 2.761 1.00 33.34 C ATOM 112 O ALA A 8 -5.627 -0.603 2.687 1.00 71.13 O ATOM 113 CB ALA A 8 -7.935 0.582 4.873 1.00 31.12 C ATOM 0 H ALA A 8 -8.588 2.373 3.371 1.00 51.21 H new ATOM 0 HA ALA A 8 -6.087 1.359 4.109 1.00 24.32 H new ATOM 0 HB1 ALA A 8 -7.459 -0.242 5.405 1.00 31.12 H new ATOM 0 HB2 ALA A 8 -8.081 1.419 5.556 1.00 31.12 H new ATOM 0 HB3 ALA A 8 -8.901 0.255 4.488 1.00 31.12 H new ATOM 119 N ARG A 9 -7.766 -0.631 2.013 1.00 55.33 N ATOM 120 CA ARG A 9 -7.578 -1.793 1.138 1.00 20.54 C ATOM 121 C ARG A 9 -6.548 -1.522 0.035 1.00 53.13 C ATOM 122 O ARG A 9 -5.821 -2.441 -0.348 1.00 22.14 O ATOM 123 CB ARG A 9 -8.935 -2.281 0.591 1.00 54.10 C ATOM 124 CG ARG A 9 -8.880 -3.595 -0.216 1.00 35.41 C ATOM 125 CD ARG A 9 -8.263 -4.809 0.500 1.00 11.01 C ATOM 126 NE ARG A 9 -9.061 -5.263 1.647 1.00 3.14 N ATOM 127 CZ ARG A 9 -9.576 -6.481 1.863 1.00 64.41 C ATOM 128 NH1 ARG A 9 -9.341 -7.510 1.052 1.00 64.32 N ATOM 129 NH2 ARG A 9 -10.326 -6.654 2.940 1.00 33.42 N ATOM 0 H ARG A 9 -8.708 -0.239 1.998 1.00 55.33 H new ATOM 0 HA ARG A 9 -7.159 -2.605 1.732 1.00 20.54 H new ATOM 0 HB2 ARG A 9 -9.620 -2.415 1.428 1.00 54.10 H new ATOM 0 HB3 ARG A 9 -9.356 -1.501 -0.043 1.00 54.10 H new ATOM 0 HG2 ARG A 9 -9.895 -3.855 -0.517 1.00 35.41 H new ATOM 0 HG3 ARG A 9 -8.314 -3.412 -1.129 1.00 35.41 H new ATOM 0 HD2 ARG A 9 -8.158 -5.629 -0.211 1.00 11.01 H new ATOM 0 HD3 ARG A 9 -7.260 -4.552 0.841 1.00 11.01 H new ATOM 0 HE ARG A 9 -9.246 -4.565 2.368 1.00 3.14 H new ATOM 0 HH11 ARG A 9 -8.749 -7.387 0.230 1.00 64.32 H new ATOM 0 HH12 ARG A 9 -9.752 -8.422 1.252 1.00 64.32 H new ATOM 0 HH21 ARG A 9 -10.496 -5.873 3.574 1.00 33.42 H new ATOM 0 HH22 ARG A 9 -10.734 -7.568 3.136 1.00 33.42 H new ATOM 143 N ARG A 10 -6.414 -0.281 -0.460 1.00 33.25 N ATOM 144 CA ARG A 10 -5.328 0.081 -1.377 1.00 24.55 C ATOM 145 C ARG A 10 -4.001 -0.225 -0.699 1.00 71.41 C ATOM 146 O ARG A 10 -3.184 -0.954 -1.260 1.00 74.41 O ATOM 147 CB ARG A 10 -5.387 1.567 -1.791 1.00 41.33 C ATOM 148 CG ARG A 10 -4.966 1.776 -3.257 1.00 13.34 C ATOM 149 CD ARG A 10 -4.540 3.215 -3.589 1.00 71.24 C ATOM 150 NE ARG A 10 -5.386 4.237 -2.953 1.00 1.03 N ATOM 151 CZ ARG A 10 -5.579 5.514 -3.315 1.00 32.13 C ATOM 152 NH1 ARG A 10 -5.063 6.020 -4.430 1.00 52.43 N ATOM 153 NH2 ARG A 10 -6.294 6.309 -2.531 1.00 55.31 N ATOM 0 H ARG A 10 -7.047 0.488 -0.238 1.00 33.25 H new ATOM 0 HA ARG A 10 -5.435 -0.505 -2.290 1.00 24.55 H new ATOM 0 HB2 ARG A 10 -6.400 1.943 -1.648 1.00 41.33 H new ATOM 0 HB3 ARG A 10 -4.736 2.150 -1.140 1.00 41.33 H new ATOM 0 HG2 ARG A 10 -4.140 1.102 -3.486 1.00 13.34 H new ATOM 0 HG3 ARG A 10 -5.796 1.495 -3.906 1.00 13.34 H new ATOM 0 HD2 ARG A 10 -3.507 3.362 -3.274 1.00 71.24 H new ATOM 0 HD3 ARG A 10 -4.566 3.354 -4.670 1.00 71.24 H new ATOM 0 HE ARG A 10 -5.895 3.933 -2.123 1.00 1.03 H new ATOM 0 HH11 ARG A 10 -4.499 5.432 -5.043 1.00 52.43 H new ATOM 0 HH12 ARG A 10 -5.231 6.996 -4.673 1.00 52.43 H new ATOM 0 HH21 ARG A 10 -6.690 5.948 -1.663 1.00 55.31 H new ATOM 0 HH22 ARG A 10 -6.448 7.282 -2.795 1.00 55.31 H new ATOM 167 N ASN A 11 -3.769 0.324 0.495 1.00 3.45 N ATOM 168 CA ASN A 11 -2.479 0.135 1.146 1.00 34.23 C ATOM 169 C ASN A 11 -2.270 -1.324 1.554 1.00 64.12 C ATOM 170 O ASN A 11 -1.152 -1.828 1.445 1.00 54.31 O ATOM 171 CB ASN A 11 -2.282 1.072 2.341 1.00 34.35 C ATOM 172 CG ASN A 11 -1.872 2.445 1.847 1.00 62.43 C ATOM 173 OD1 ASN A 11 -0.863 2.578 1.163 1.00 51.04 O ATOM 174 ND2 ASN A 11 -2.671 3.461 2.100 1.00 53.12 N ATOM 0 H ASN A 11 -4.440 0.888 1.017 1.00 3.45 H new ATOM 0 HA ASN A 11 -1.719 0.396 0.410 1.00 34.23 H new ATOM 0 HB2 ASN A 11 -3.205 1.142 2.917 1.00 34.35 H new ATOM 0 HB3 ASN A 11 -1.519 0.671 3.008 1.00 34.35 H new ATOM 0 HD21 ASN A 11 -2.456 4.385 1.724 1.00 53.12 H new ATOM 0 HD22 ASN A 11 -3.504 3.324 2.672 1.00 53.12 H new ATOM 181 N LYS A 12 -3.326 -2.040 1.964 1.00 41.34 N ATOM 182 CA LYS A 12 -3.294 -3.470 2.280 1.00 15.45 C ATOM 183 C LYS A 12 -2.713 -4.271 1.118 1.00 53.42 C ATOM 184 O LYS A 12 -1.804 -5.071 1.320 1.00 52.01 O ATOM 185 CB LYS A 12 -4.700 -3.973 2.649 1.00 71.41 C ATOM 186 CG LYS A 12 -4.663 -5.433 3.130 1.00 73.34 C ATOM 187 CD LYS A 12 -6.056 -5.965 3.522 1.00 2.45 C ATOM 188 CE LYS A 12 -5.958 -7.114 4.543 1.00 63.23 C ATOM 189 NZ LYS A 12 -7.219 -7.879 4.676 1.00 11.43 N ATOM 0 H LYS A 12 -4.250 -1.627 2.088 1.00 41.34 H new ATOM 0 HA LYS A 12 -2.644 -3.616 3.143 1.00 15.45 H new ATOM 0 HB2 LYS A 12 -5.121 -3.341 3.431 1.00 71.41 H new ATOM 0 HB3 LYS A 12 -5.357 -3.890 1.783 1.00 71.41 H new ATOM 0 HG2 LYS A 12 -4.247 -6.061 2.342 1.00 73.34 H new ATOM 0 HG3 LYS A 12 -3.994 -5.512 3.987 1.00 73.34 H new ATOM 0 HD2 LYS A 12 -6.651 -5.154 3.942 1.00 2.45 H new ATOM 0 HD3 LYS A 12 -6.577 -6.313 2.630 1.00 2.45 H new ATOM 0 HE2 LYS A 12 -5.158 -7.792 4.244 1.00 63.23 H new ATOM 0 HE3 LYS A 12 -5.683 -6.706 5.516 1.00 63.23 H new ATOM 0 HZ1 LYS A 12 -7.093 -8.638 5.376 1.00 11.43 H new ATOM 0 HZ2 LYS A 12 -7.980 -7.243 4.989 1.00 11.43 H new ATOM 0 HZ3 LYS A 12 -7.472 -8.294 3.757 1.00 11.43 H new ATOM 203 N LEU A 13 -3.187 -4.043 -0.103 1.00 73.11 N ATOM 204 CA LEU A 13 -2.663 -4.768 -1.252 1.00 71.53 C ATOM 205 C LEU A 13 -1.270 -4.259 -1.642 1.00 51.14 C ATOM 206 O LEU A 13 -0.428 -5.069 -2.032 1.00 71.21 O ATOM 207 CB LEU A 13 -3.663 -4.686 -2.409 1.00 13.25 C ATOM 208 CG LEU A 13 -5.018 -5.356 -2.126 1.00 35.32 C ATOM 209 CD1 LEU A 13 -5.927 -5.106 -3.331 1.00 33.24 C ATOM 210 CD2 LEU A 13 -4.875 -6.857 -1.877 1.00 2.03 C ATOM 0 H LEU A 13 -3.923 -3.371 -0.320 1.00 73.11 H new ATOM 0 HA LEU A 13 -2.539 -5.819 -0.989 1.00 71.53 H new ATOM 0 HB2 LEU A 13 -3.834 -3.637 -2.652 1.00 13.25 H new ATOM 0 HB3 LEU A 13 -3.219 -5.149 -3.290 1.00 13.25 H new ATOM 0 HG LEU A 13 -5.445 -4.927 -1.220 1.00 35.32 H new ATOM 0 HD11 LEU A 13 -6.897 -5.571 -3.157 1.00 33.24 H new ATOM 0 HD12 LEU A 13 -6.059 -4.033 -3.471 1.00 33.24 H new ATOM 0 HD13 LEU A 13 -5.473 -5.535 -4.224 1.00 33.24 H new ATOM 0 HD21 LEU A 13 -5.857 -7.289 -1.682 1.00 2.03 H new ATOM 0 HD22 LEU A 13 -4.438 -7.332 -2.756 1.00 2.03 H new ATOM 0 HD23 LEU A 13 -4.228 -7.023 -1.016 1.00 2.03 H new ATOM 222 N MET A 14 -0.988 -2.953 -1.514 1.00 34.15 N ATOM 223 CA MET A 14 0.333 -2.398 -1.782 1.00 4.42 C ATOM 224 C MET A 14 1.419 -3.078 -0.944 1.00 15.33 C ATOM 225 O MET A 14 2.338 -3.663 -1.511 1.00 1.44 O ATOM 226 CB MET A 14 0.283 -0.875 -1.599 1.00 53.20 C ATOM 227 CG MET A 14 1.625 -0.139 -1.654 1.00 44.03 C ATOM 228 SD MET A 14 2.869 -0.737 -2.830 1.00 23.55 S ATOM 229 CE MET A 14 3.457 0.808 -3.548 1.00 0.02 C ATOM 0 H MET A 14 -1.675 -2.258 -1.221 1.00 34.15 H new ATOM 0 HA MET A 14 0.612 -2.602 -2.816 1.00 4.42 H new ATOM 0 HB2 MET A 14 -0.367 -0.459 -2.369 1.00 53.20 H new ATOM 0 HB3 MET A 14 -0.185 -0.661 -0.638 1.00 53.20 H new ATOM 0 HG2 MET A 14 1.424 0.908 -1.882 1.00 44.03 H new ATOM 0 HG3 MET A 14 2.065 -0.169 -0.657 1.00 44.03 H new ATOM 0 HE1 MET A 14 4.526 0.733 -3.747 1.00 0.02 H new ATOM 0 HE2 MET A 14 2.927 1.001 -4.481 1.00 0.02 H new ATOM 0 HE3 MET A 14 3.274 1.626 -2.851 1.00 0.02 H new ATOM 239 N GLY A 15 1.333 -3.066 0.389 1.00 54.03 N ATOM 240 CA GLY A 15 2.365 -3.672 1.227 1.00 62.22 C ATOM 241 C GLY A 15 2.552 -5.162 0.997 1.00 53.00 C ATOM 242 O GLY A 15 3.652 -5.661 1.209 1.00 34.33 O ATOM 0 H GLY A 15 0.562 -2.645 0.907 1.00 54.03 H new ATOM 0 HA2 GLY A 15 3.312 -3.165 1.043 1.00 62.22 H new ATOM 0 HA3 GLY A 15 2.112 -3.505 2.274 1.00 62.22 H new ATOM 246 N LEU A 16 1.536 -5.880 0.521 1.00 75.44 N ATOM 247 CA LEU A 16 1.711 -7.261 0.080 1.00 40.23 C ATOM 248 C LEU A 16 2.668 -7.365 -1.115 1.00 3.24 C ATOM 249 O LEU A 16 3.477 -8.289 -1.147 1.00 41.34 O ATOM 250 CB LEU A 16 0.333 -7.888 -0.192 1.00 0.34 C ATOM 251 CG LEU A 16 -0.167 -8.721 1.001 1.00 34.15 C ATOM 252 CD1 LEU A 16 -0.121 -8.020 2.361 1.00 1.31 C ATOM 253 CD2 LEU A 16 -1.610 -9.145 0.765 1.00 34.31 C ATOM 0 H LEU A 16 0.583 -5.527 0.431 1.00 75.44 H new ATOM 0 HA LEU A 16 2.188 -7.833 0.875 1.00 40.23 H new ATOM 0 HB2 LEU A 16 -0.387 -7.100 -0.411 1.00 0.34 H new ATOM 0 HB3 LEU A 16 0.391 -8.521 -1.077 1.00 0.34 H new ATOM 0 HG LEU A 16 0.525 -9.562 1.050 1.00 34.15 H new ATOM 0 HD11 LEU A 16 -0.495 -8.695 3.131 1.00 1.31 H new ATOM 0 HD12 LEU A 16 0.907 -7.740 2.592 1.00 1.31 H new ATOM 0 HD13 LEU A 16 -0.742 -7.125 2.330 1.00 1.31 H new ATOM 0 HD21 LEU A 16 -1.959 -9.735 1.613 1.00 34.31 H new ATOM 0 HD22 LEU A 16 -2.236 -8.260 0.656 1.00 34.31 H new ATOM 0 HD23 LEU A 16 -1.669 -9.745 -0.143 1.00 34.31 H new ATOM 265 N TRP A 17 2.652 -6.426 -2.065 1.00 14.23 N ATOM 266 CA TRP A 17 3.696 -6.359 -3.097 1.00 75.44 C ATOM 267 C TRP A 17 5.046 -5.944 -2.496 1.00 75.13 C ATOM 268 O TRP A 17 6.075 -6.524 -2.819 1.00 44.41 O ATOM 269 CB TRP A 17 3.309 -5.392 -4.226 1.00 4.22 C ATOM 270 CG TRP A 17 4.392 -5.167 -5.245 1.00 64.21 C ATOM 271 CD1 TRP A 17 4.840 -6.064 -6.158 1.00 2.14 C ATOM 272 CD2 TRP A 17 5.227 -3.982 -5.425 1.00 60.51 C ATOM 273 NE1 TRP A 17 5.840 -5.493 -6.924 1.00 52.42 N ATOM 274 CE2 TRP A 17 6.105 -4.203 -6.524 1.00 1.01 C ATOM 275 CE3 TRP A 17 5.312 -2.730 -4.782 1.00 54.23 C ATOM 276 CZ2 TRP A 17 7.004 -3.225 -6.972 1.00 31.55 C ATOM 277 CZ3 TRP A 17 6.224 -1.747 -5.210 1.00 0.35 C ATOM 278 CH2 TRP A 17 7.070 -1.992 -6.307 1.00 54.33 C ATOM 0 H TRP A 17 1.934 -5.706 -2.143 1.00 14.23 H new ATOM 0 HA TRP A 17 3.793 -7.360 -3.517 1.00 75.44 H new ATOM 0 HB2 TRP A 17 2.424 -5.778 -4.732 1.00 4.22 H new ATOM 0 HB3 TRP A 17 3.033 -4.433 -3.788 1.00 4.22 H new ATOM 0 HD1 TRP A 17 4.471 -7.073 -6.270 1.00 2.14 H new ATOM 0 HE1 TRP A 17 6.320 -5.968 -7.688 1.00 52.42 H new ATOM 0 HE3 TRP A 17 4.664 -2.521 -3.944 1.00 54.23 H new ATOM 0 HZ2 TRP A 17 7.641 -3.420 -7.822 1.00 31.55 H new ATOM 0 HZ3 TRP A 17 6.275 -0.800 -4.694 1.00 0.35 H new ATOM 0 HH2 TRP A 17 7.767 -1.235 -6.635 1.00 54.33 H new ATOM 289 N VAL A 18 5.070 -4.938 -1.626 1.00 0.21 N ATOM 290 CA VAL A 18 6.322 -4.396 -1.097 1.00 22.54 C ATOM 291 C VAL A 18 7.073 -5.465 -0.304 1.00 11.31 C ATOM 292 O VAL A 18 8.258 -5.692 -0.532 1.00 34.23 O ATOM 293 CB VAL A 18 6.020 -3.186 -0.215 1.00 4.21 C ATOM 294 CG1 VAL A 18 7.283 -2.618 0.411 1.00 40.34 C ATOM 295 CG2 VAL A 18 5.331 -2.063 -0.990 1.00 41.42 C ATOM 0 H VAL A 18 4.232 -4.478 -1.270 1.00 0.21 H new ATOM 0 HA VAL A 18 6.956 -4.083 -1.926 1.00 22.54 H new ATOM 0 HB VAL A 18 5.351 -3.552 0.564 1.00 4.21 H new ATOM 0 HG11 VAL A 18 7.027 -1.759 1.031 1.00 40.34 H new ATOM 0 HG12 VAL A 18 7.759 -3.381 1.027 1.00 40.34 H new ATOM 0 HG13 VAL A 18 7.970 -2.306 -0.375 1.00 40.34 H new ATOM 0 HG21 VAL A 18 5.137 -1.225 -0.321 1.00 41.42 H new ATOM 0 HG22 VAL A 18 5.976 -1.735 -1.805 1.00 41.42 H new ATOM 0 HG23 VAL A 18 4.388 -2.428 -1.398 1.00 41.42 H new ATOM 305 N ALA A 19 6.384 -6.118 0.631 1.00 23.12 N ATOM 306 CA ALA A 19 6.901 -7.260 1.364 1.00 3.13 C ATOM 307 C ALA A 19 7.461 -8.330 0.411 1.00 62.53 C ATOM 308 O ALA A 19 8.539 -8.864 0.666 1.00 73.50 O ATOM 309 CB ALA A 19 5.788 -7.777 2.273 1.00 12.44 C ATOM 0 H ALA A 19 5.435 -5.859 0.901 1.00 23.12 H new ATOM 0 HA ALA A 19 7.748 -6.969 1.986 1.00 3.13 H new ATOM 0 HB1 ALA A 19 6.149 -8.637 2.837 1.00 12.44 H new ATOM 0 HB2 ALA A 19 5.488 -6.990 2.964 1.00 12.44 H new ATOM 0 HB3 ALA A 19 4.932 -8.074 1.667 1.00 12.44 H new ATOM 315 N GLU A 20 6.801 -8.593 -0.718 1.00 63.33 N ATOM 316 CA GLU A 20 7.284 -9.514 -1.744 1.00 72.54 C ATOM 317 C GLU A 20 8.610 -9.038 -2.348 1.00 55.01 C ATOM 318 O GLU A 20 9.539 -9.836 -2.478 1.00 41.22 O ATOM 319 CB GLU A 20 6.159 -9.750 -2.770 1.00 52.44 C ATOM 320 CG GLU A 20 6.598 -10.160 -4.182 1.00 12.25 C ATOM 321 CD GLU A 20 5.374 -10.512 -5.030 1.00 24.42 C ATOM 322 OE1 GLU A 20 4.971 -11.695 -5.014 1.00 52.01 O ATOM 323 OE2 GLU A 20 4.777 -9.621 -5.688 1.00 23.11 O ATOM 0 H GLU A 20 5.904 -8.166 -0.947 1.00 63.33 H new ATOM 0 HA GLU A 20 7.525 -10.482 -1.305 1.00 72.54 H new ATOM 0 HB2 GLU A 20 5.498 -10.524 -2.380 1.00 52.44 H new ATOM 0 HB3 GLU A 20 5.570 -8.836 -2.847 1.00 52.44 H new ATOM 0 HG2 GLU A 20 7.153 -9.347 -4.650 1.00 12.25 H new ATOM 0 HG3 GLU A 20 7.271 -11.015 -4.128 1.00 12.25 H new ATOM 330 N VAL A 21 8.734 -7.754 -2.680 1.00 53.11 N ATOM 331 CA VAL A 21 9.970 -7.147 -3.176 1.00 3.43 C ATOM 332 C VAL A 21 11.080 -7.213 -2.112 1.00 35.22 C ATOM 333 O VAL A 21 12.252 -7.343 -2.463 1.00 4.34 O ATOM 334 CB VAL A 21 9.651 -5.707 -3.635 1.00 23.13 C ATOM 335 CG1 VAL A 21 10.891 -4.858 -3.932 1.00 31.43 C ATOM 336 CG2 VAL A 21 8.768 -5.726 -4.890 1.00 52.14 C ATOM 0 H VAL A 21 7.962 -7.091 -2.610 1.00 53.11 H new ATOM 0 HA VAL A 21 10.355 -7.701 -4.032 1.00 3.43 H new ATOM 0 HB VAL A 21 9.132 -5.247 -2.794 1.00 23.13 H new ATOM 0 HG11 VAL A 21 10.582 -3.861 -4.248 1.00 31.43 H new ATOM 0 HG12 VAL A 21 11.503 -4.780 -3.033 1.00 31.43 H new ATOM 0 HG13 VAL A 21 11.471 -5.327 -4.726 1.00 31.43 H new ATOM 0 HG21 VAL A 21 8.553 -4.703 -5.199 1.00 52.14 H new ATOM 0 HG22 VAL A 21 9.289 -6.246 -5.694 1.00 52.14 H new ATOM 0 HG23 VAL A 21 7.834 -6.242 -4.670 1.00 52.14 H new ATOM 346 N LEU A 22 10.726 -7.144 -0.824 1.00 61.13 N ATOM 347 CA LEU A 22 11.643 -7.265 0.309 1.00 41.14 C ATOM 348 C LEU A 22 12.016 -8.719 0.618 1.00 24.31 C ATOM 349 O LEU A 22 12.861 -8.950 1.492 1.00 43.10 O ATOM 350 CB LEU A 22 11.010 -6.620 1.559 1.00 32.45 C ATOM 351 CG LEU A 22 10.997 -5.083 1.523 1.00 14.44 C ATOM 352 CD1 LEU A 22 10.006 -4.533 2.557 1.00 42.33 C ATOM 353 CD2 LEU A 22 12.388 -4.524 1.833 1.00 11.44 C ATOM 0 H LEU A 22 9.759 -6.997 -0.534 1.00 61.13 H new ATOM 0 HA LEU A 22 12.562 -6.747 0.034 1.00 41.14 H new ATOM 0 HB2 LEU A 22 9.987 -6.981 1.664 1.00 32.45 H new ATOM 0 HB3 LEU A 22 11.556 -6.949 2.443 1.00 32.45 H new ATOM 0 HG LEU A 22 10.695 -4.776 0.522 1.00 14.44 H new ATOM 0 HD11 LEU A 22 10.008 -3.444 2.519 1.00 42.33 H new ATOM 0 HD12 LEU A 22 9.005 -4.902 2.334 1.00 42.33 H new ATOM 0 HD13 LEU A 22 10.300 -4.862 3.554 1.00 42.33 H new ATOM 0 HD21 LEU A 22 12.358 -3.435 1.803 1.00 11.44 H new ATOM 0 HD22 LEU A 22 12.699 -4.851 2.825 1.00 11.44 H new ATOM 0 HD23 LEU A 22 13.100 -4.888 1.092 1.00 11.44 H new ATOM 365 N GLY A 23 11.399 -9.714 -0.031 1.00 15.13 N ATOM 366 CA GLY A 23 11.573 -11.110 0.358 1.00 42.11 C ATOM 367 C GLY A 23 11.089 -11.355 1.791 1.00 23.12 C ATOM 368 O GLY A 23 11.555 -12.266 2.481 1.00 43.33 O ATOM 0 H GLY A 23 10.776 -9.574 -0.827 1.00 15.13 H new ATOM 0 HA2 GLY A 23 11.022 -11.752 -0.329 1.00 42.11 H new ATOM 0 HA3 GLY A 23 12.625 -11.384 0.276 1.00 42.11 H new ATOM 372 N LYS A 24 10.193 -10.509 2.305 1.00 31.12 N ATOM 373 CA LYS A 24 9.355 -10.874 3.437 1.00 12.22 C ATOM 374 C LYS A 24 8.375 -11.921 2.909 1.00 0.44 C ATOM 375 O LYS A 24 8.134 -12.019 1.697 1.00 64.14 O ATOM 376 CB LYS A 24 8.627 -9.633 3.971 1.00 33.21 C ATOM 377 CG LYS A 24 9.547 -8.626 4.678 1.00 33.15 C ATOM 378 CD LYS A 24 8.752 -7.379 5.101 1.00 61.34 C ATOM 379 CE LYS A 24 9.591 -6.368 5.903 1.00 40.34 C ATOM 380 NZ LYS A 24 9.847 -6.780 7.300 1.00 0.01 N ATOM 0 H LYS A 24 10.033 -9.566 1.951 1.00 31.12 H new ATOM 0 HA LYS A 24 9.934 -11.276 4.269 1.00 12.22 H new ATOM 0 HB2 LYS A 24 8.127 -9.133 3.142 1.00 33.21 H new ATOM 0 HB3 LYS A 24 7.850 -9.951 4.667 1.00 33.21 H new ATOM 0 HG2 LYS A 24 10.000 -9.090 5.554 1.00 33.15 H new ATOM 0 HG3 LYS A 24 10.361 -8.338 4.013 1.00 33.15 H new ATOM 0 HD2 LYS A 24 8.357 -6.889 4.211 1.00 61.34 H new ATOM 0 HD3 LYS A 24 7.896 -7.688 5.701 1.00 61.34 H new ATOM 0 HE2 LYS A 24 10.545 -6.220 5.397 1.00 40.34 H new ATOM 0 HE3 LYS A 24 9.079 -5.406 5.906 1.00 40.34 H new ATOM 0 HZ1 LYS A 24 10.154 -5.955 7.854 1.00 0.01 H new ATOM 0 HZ2 LYS A 24 8.975 -7.169 7.712 1.00 0.01 H new ATOM 0 HZ3 LYS A 24 10.592 -7.505 7.317 1.00 0.01 H new ATOM 394 N SER A 25 7.791 -12.707 3.797 1.00 3.15 N ATOM 395 CA SER A 25 6.942 -13.820 3.406 1.00 51.21 C ATOM 396 C SER A 25 5.962 -14.129 4.527 1.00 2.15 C ATOM 397 O SER A 25 6.089 -13.581 5.623 1.00 71.22 O ATOM 398 CB SER A 25 7.827 -15.032 3.071 1.00 51.12 C ATOM 399 OG SER A 25 8.858 -15.238 4.026 1.00 42.10 O ATOM 0 H SER A 25 7.891 -12.593 4.806 1.00 3.15 H new ATOM 0 HA SER A 25 6.362 -13.566 2.519 1.00 51.21 H new ATOM 0 HB2 SER A 25 7.206 -15.926 3.014 1.00 51.12 H new ATOM 0 HB3 SER A 25 8.272 -14.891 2.086 1.00 51.12 H new ATOM 0 HG SER A 25 9.390 -16.020 3.769 1.00 42.10 H new ATOM 405 N GLY A 26 5.019 -15.029 4.271 1.00 75.24 N ATOM 406 CA GLY A 26 4.222 -15.678 5.292 1.00 61.11 C ATOM 407 C GLY A 26 3.488 -14.678 6.171 1.00 3.11 C ATOM 408 O GLY A 26 2.546 -14.017 5.723 1.00 52.30 O ATOM 0 H GLY A 26 4.786 -15.331 3.325 1.00 75.24 H new ATOM 0 HA2 GLY A 26 3.499 -16.342 4.818 1.00 61.11 H new ATOM 0 HA3 GLY A 26 4.867 -16.300 5.913 1.00 61.11 H new ATOM 412 N ASP A 27 3.919 -14.590 7.424 1.00 55.23 N ATOM 413 CA ASP A 27 3.330 -13.732 8.441 1.00 55.40 C ATOM 414 C ASP A 27 4.000 -12.366 8.461 1.00 75.32 C ATOM 415 O ASP A 27 3.357 -11.364 8.744 1.00 62.24 O ATOM 416 CB ASP A 27 3.486 -14.404 9.808 1.00 13.34 C ATOM 417 CG ASP A 27 2.331 -15.359 10.040 1.00 24.44 C ATOM 418 OD1 ASP A 27 1.299 -14.905 10.580 1.00 14.41 O ATOM 419 OD2 ASP A 27 2.456 -16.536 9.624 1.00 23.52 O ATOM 0 H ASP A 27 4.712 -15.131 7.769 1.00 55.23 H new ATOM 0 HA ASP A 27 2.275 -13.586 8.210 1.00 55.40 H new ATOM 0 HB2 ASP A 27 4.432 -14.944 9.853 1.00 13.34 H new ATOM 0 HB3 ASP A 27 3.511 -13.650 10.595 1.00 13.34 H new ATOM 424 N GLU A 28 5.283 -12.292 8.117 1.00 4.05 N ATOM 425 CA GLU A 28 6.026 -11.048 7.924 1.00 64.14 C ATOM 426 C GLU A 28 5.300 -10.201 6.875 1.00 14.32 C ATOM 427 O GLU A 28 4.980 -9.030 7.091 1.00 4.44 O ATOM 428 CB GLU A 28 7.452 -11.435 7.488 1.00 23.45 C ATOM 429 CG GLU A 28 8.516 -11.031 8.503 1.00 11.23 C ATOM 430 CD GLU A 28 9.023 -9.621 8.231 1.00 54.34 C ATOM 431 OE1 GLU A 28 8.198 -8.687 8.135 1.00 64.34 O ATOM 432 OE2 GLU A 28 10.257 -9.458 8.047 1.00 61.52 O ATOM 0 H GLU A 28 5.853 -13.123 7.960 1.00 4.05 H new ATOM 0 HA GLU A 28 6.088 -10.451 8.834 1.00 64.14 H new ATOM 0 HB2 GLU A 28 7.498 -12.513 7.331 1.00 23.45 H new ATOM 0 HB3 GLU A 28 7.674 -10.964 6.530 1.00 23.45 H new ATOM 0 HG2 GLU A 28 8.102 -11.084 9.510 1.00 11.23 H new ATOM 0 HG3 GLU A 28 9.348 -11.734 8.463 1.00 11.23 H new ATOM 439 N ALA A 29 4.902 -10.849 5.778 1.00 22.55 N ATOM 440 CA ALA A 29 4.114 -10.246 4.715 1.00 23.15 C ATOM 441 C ALA A 29 2.694 -9.845 5.132 1.00 21.43 C ATOM 442 O ALA A 29 1.979 -9.268 4.316 1.00 24.52 O ATOM 443 CB ALA A 29 4.037 -11.228 3.544 1.00 63.52 C ATOM 0 H ALA A 29 5.127 -11.829 5.606 1.00 22.55 H new ATOM 0 HA ALA A 29 4.620 -9.321 4.438 1.00 23.15 H new ATOM 0 HB1 ALA A 29 3.448 -10.789 2.739 1.00 63.52 H new ATOM 0 HB2 ALA A 29 5.043 -11.443 3.183 1.00 63.52 H new ATOM 0 HB3 ALA A 29 3.565 -12.153 3.875 1.00 63.52 H new ATOM 449 N ASN A 30 2.255 -10.153 6.351 1.00 51.13 N ATOM 450 CA ASN A 30 0.963 -9.742 6.890 1.00 33.43 C ATOM 451 C ASN A 30 1.138 -8.810 8.081 1.00 14.44 C ATOM 452 O ASN A 30 0.156 -8.201 8.508 1.00 34.34 O ATOM 453 CB ASN A 30 0.144 -10.975 7.291 1.00 61.10 C ATOM 454 CG ASN A 30 -0.567 -11.618 6.115 1.00 13.13 C ATOM 455 OD1 ASN A 30 -1.698 -11.238 5.805 1.00 42.10 O ATOM 456 ND2 ASN A 30 0.027 -12.614 5.480 1.00 63.20 N ATOM 0 H ASN A 30 2.803 -10.710 7.007 1.00 51.13 H new ATOM 0 HA ASN A 30 0.426 -9.197 6.114 1.00 33.43 H new ATOM 0 HB2 ASN A 30 0.804 -11.708 7.756 1.00 61.10 H new ATOM 0 HB3 ASN A 30 -0.592 -10.688 8.042 1.00 61.10 H new ATOM 0 HD21 ASN A 30 -0.451 -13.088 4.714 1.00 63.20 H new ATOM 0 HD22 ASN A 30 0.963 -12.909 5.757 1.00 63.20 H new ATOM 463 N ALA A 31 2.348 -8.692 8.624 1.00 52.13 N ATOM 464 CA ALA A 31 2.708 -7.730 9.642 1.00 0.34 C ATOM 465 C ALA A 31 3.074 -6.397 8.991 1.00 41.14 C ATOM 466 O ALA A 31 2.508 -5.372 9.379 1.00 64.51 O ATOM 467 CB ALA A 31 3.855 -8.294 10.479 1.00 32.55 C ATOM 0 H ALA A 31 3.128 -9.290 8.351 1.00 52.13 H new ATOM 0 HA ALA A 31 1.863 -7.545 10.305 1.00 0.34 H new ATOM 0 HB1 ALA A 31 4.132 -7.574 11.249 1.00 32.55 H new ATOM 0 HB2 ALA A 31 3.538 -9.225 10.950 1.00 32.55 H new ATOM 0 HB3 ALA A 31 4.714 -8.486 9.836 1.00 32.55 H new ATOM 473 N TYR A 32 3.954 -6.405 7.978 1.00 60.52 N ATOM 474 CA TYR A 32 4.378 -5.210 7.244 1.00 40.10 C ATOM 475 C TYR A 32 3.166 -4.442 6.699 1.00 4.12 C ATOM 476 O TYR A 32 3.104 -3.212 6.765 1.00 33.52 O ATOM 477 CB TYR A 32 5.337 -5.617 6.110 1.00 53.02 C ATOM 478 CG TYR A 32 5.752 -4.447 5.235 1.00 14.03 C ATOM 479 CD1 TYR A 32 4.936 -4.040 4.161 1.00 23.44 C ATOM 480 CD2 TYR A 32 6.888 -3.689 5.563 1.00 60.43 C ATOM 481 CE1 TYR A 32 5.197 -2.841 3.477 1.00 34.54 C ATOM 482 CE2 TYR A 32 7.182 -2.513 4.858 1.00 51.14 C ATOM 483 CZ TYR A 32 6.316 -2.055 3.842 1.00 24.54 C ATOM 484 OH TYR A 32 6.536 -0.840 3.265 1.00 24.22 O ATOM 0 H TYR A 32 4.397 -7.260 7.642 1.00 60.52 H new ATOM 0 HA TYR A 32 4.904 -4.541 7.925 1.00 40.10 H new ATOM 0 HB2 TYR A 32 6.227 -6.075 6.541 1.00 53.02 H new ATOM 0 HB3 TYR A 32 4.857 -6.375 5.490 1.00 53.02 H new ATOM 0 HD1 TYR A 32 4.101 -4.656 3.861 1.00 23.44 H new ATOM 0 HD2 TYR A 32 7.538 -4.013 6.362 1.00 60.43 H new ATOM 0 HE1 TYR A 32 4.547 -2.521 2.676 1.00 34.54 H new ATOM 0 HE2 TYR A 32 8.076 -1.955 5.094 1.00 51.14 H new ATOM 0 HH TYR A 32 7.350 -0.443 3.639 1.00 24.22 H new ATOM 494 N ALA A 33 2.170 -5.170 6.198 1.00 62.53 N ATOM 495 CA ALA A 33 0.929 -4.626 5.674 1.00 62.30 C ATOM 496 C ALA A 33 0.029 -3.930 6.716 1.00 4.32 C ATOM 497 O ALA A 33 -1.045 -3.435 6.365 1.00 60.53 O ATOM 498 CB ALA A 33 0.185 -5.768 4.982 1.00 73.32 C ATOM 0 H ALA A 33 2.211 -6.188 6.146 1.00 62.53 H new ATOM 0 HA ALA A 33 1.186 -3.827 4.979 1.00 62.30 H new ATOM 0 HB1 ALA A 33 -0.755 -5.396 4.575 1.00 73.32 H new ATOM 0 HB2 ALA A 33 0.799 -6.165 4.173 1.00 73.32 H new ATOM 0 HB3 ALA A 33 -0.020 -6.559 5.704 1.00 73.32 H new ATOM 504 N ALA A 34 0.416 -3.859 7.994 1.00 55.42 N ATOM 505 CA ALA A 34 -0.147 -2.856 8.897 1.00 4.45 C ATOM 506 C ALA A 34 0.587 -1.519 8.778 1.00 12.33 C ATOM 507 O ALA A 34 -0.062 -0.479 8.693 1.00 72.40 O ATOM 508 CB ALA A 34 -0.094 -3.336 10.340 1.00 15.05 C ATOM 0 H ALA A 34 1.107 -4.476 8.420 1.00 55.42 H new ATOM 0 HA ALA A 34 -1.187 -2.709 8.605 1.00 4.45 H new ATOM 0 HB1 ALA A 34 -0.518 -2.573 10.993 1.00 15.05 H new ATOM 0 HB2 ALA A 34 -0.668 -4.258 10.438 1.00 15.05 H new ATOM 0 HB3 ALA A 34 0.942 -3.521 10.624 1.00 15.05 H new ATOM 514 N GLU A 35 1.920 -1.521 8.766 1.00 31.13 N ATOM 515 CA GLU A 35 2.730 -0.303 8.816 1.00 4.41 C ATOM 516 C GLU A 35 2.405 0.610 7.635 1.00 35.11 C ATOM 517 O GLU A 35 2.246 1.816 7.777 1.00 13.32 O ATOM 518 CB GLU A 35 4.220 -0.651 8.832 1.00 2.41 C ATOM 519 CG GLU A 35 4.643 -1.387 10.110 1.00 11.11 C ATOM 520 CD GLU A 35 4.745 -0.529 11.381 1.00 43.33 C ATOM 521 OE1 GLU A 35 4.183 0.591 11.451 1.00 52.21 O ATOM 522 OE2 GLU A 35 5.343 -1.017 12.362 1.00 74.40 O ATOM 0 H GLU A 35 2.474 -2.376 8.721 1.00 31.13 H new ATOM 0 HA GLU A 35 2.490 0.230 9.736 1.00 4.41 H new ATOM 0 HB2 GLU A 35 4.453 -1.271 7.967 1.00 2.41 H new ATOM 0 HB3 GLU A 35 4.804 0.264 8.735 1.00 2.41 H new ATOM 0 HG2 GLU A 35 3.931 -2.191 10.295 1.00 11.11 H new ATOM 0 HG3 GLU A 35 5.612 -1.854 9.932 1.00 11.11 H new ATOM 529 N VAL A 36 2.267 0.019 6.453 1.00 34.34 N ATOM 530 CA VAL A 36 1.954 0.701 5.202 1.00 32.24 C ATOM 531 C VAL A 36 0.553 1.348 5.185 1.00 3.34 C ATOM 532 O VAL A 36 0.246 2.132 4.288 1.00 33.51 O ATOM 533 CB VAL A 36 2.175 -0.335 4.089 1.00 14.14 C ATOM 534 CG1 VAL A 36 1.122 -1.410 4.111 1.00 43.22 C ATOM 535 CG2 VAL A 36 2.282 0.271 2.689 1.00 20.34 C ATOM 0 H VAL A 36 2.374 -0.988 6.335 1.00 34.34 H new ATOM 0 HA VAL A 36 2.608 1.561 5.057 1.00 32.24 H new ATOM 0 HB VAL A 36 3.144 -0.781 4.310 1.00 14.14 H new ATOM 0 HG11 VAL A 36 1.313 -2.123 3.309 1.00 43.22 H new ATOM 0 HG12 VAL A 36 1.150 -1.927 5.070 1.00 43.22 H new ATOM 0 HG13 VAL A 36 0.139 -0.960 3.970 1.00 43.22 H new ATOM 0 HG21 VAL A 36 2.437 -0.524 1.959 1.00 20.34 H new ATOM 0 HG22 VAL A 36 1.362 0.806 2.453 1.00 20.34 H new ATOM 0 HG23 VAL A 36 3.123 0.964 2.656 1.00 20.34 H new ATOM 545 N VAL A 37 -0.318 1.030 6.144 1.00 43.14 N ATOM 546 CA VAL A 37 -1.677 1.568 6.246 1.00 52.20 C ATOM 547 C VAL A 37 -1.699 2.781 7.182 1.00 53.23 C ATOM 548 O VAL A 37 -2.624 3.589 7.147 1.00 63.23 O ATOM 549 CB VAL A 37 -2.612 0.445 6.732 1.00 3.41 C ATOM 550 CG1 VAL A 37 -4.062 0.899 6.914 1.00 63.43 C ATOM 551 CG2 VAL A 37 -2.558 -0.733 5.756 1.00 2.31 C ATOM 0 H VAL A 37 -0.092 0.374 6.892 1.00 43.14 H new ATOM 0 HA VAL A 37 -2.025 1.914 5.273 1.00 52.20 H new ATOM 0 HB VAL A 37 -2.252 0.143 7.716 1.00 3.41 H new ATOM 0 HG11 VAL A 37 -4.666 0.059 7.258 1.00 63.43 H new ATOM 0 HG12 VAL A 37 -4.102 1.701 7.651 1.00 63.43 H new ATOM 0 HG13 VAL A 37 -4.452 1.261 5.963 1.00 63.43 H new ATOM 0 HG21 VAL A 37 -3.221 -1.525 6.104 1.00 2.31 H new ATOM 0 HG22 VAL A 37 -2.876 -0.402 4.768 1.00 2.31 H new ATOM 0 HG23 VAL A 37 -1.538 -1.113 5.700 1.00 2.31 H new ATOM 704 N ASP A 48 3.448 10.987 2.006 1.00 32.24 N ATOM 705 CA ASP A 48 4.139 10.394 3.145 1.00 74.22 C ATOM 706 C ASP A 48 4.119 8.867 3.048 1.00 20.51 C ATOM 707 O ASP A 48 5.139 8.236 3.325 1.00 0.03 O ATOM 708 CB ASP A 48 3.540 10.933 4.448 1.00 22.45 C ATOM 709 CG ASP A 48 2.232 10.259 4.825 1.00 60.10 C ATOM 710 OD1 ASP A 48 1.360 10.157 3.937 1.00 44.44 O ATOM 711 OD2 ASP A 48 2.140 9.834 6.000 1.00 0.45 O ATOM 0 HA ASP A 48 5.191 10.681 3.138 1.00 74.22 H new ATOM 0 HB2 ASP A 48 4.259 10.796 5.256 1.00 22.45 H new ATOM 0 HB3 ASP A 48 3.374 12.006 4.348 1.00 22.45 H new ATOM 716 N VAL A 49 3.042 8.285 2.505 1.00 73.21 N ATOM 717 CA VAL A 49 2.957 6.878 2.107 1.00 24.22 C ATOM 718 C VAL A 49 4.157 6.517 1.213 1.00 2.12 C ATOM 719 O VAL A 49 4.722 5.424 1.351 1.00 61.20 O ATOM 720 CB VAL A 49 1.613 6.617 1.375 1.00 15.45 C ATOM 721 CG1 VAL A 49 1.445 5.161 0.925 1.00 24.55 C ATOM 722 CG2 VAL A 49 0.353 6.969 2.181 1.00 3.12 C ATOM 0 H VAL A 49 2.179 8.799 2.326 1.00 73.21 H new ATOM 0 HA VAL A 49 2.989 6.244 2.993 1.00 24.22 H new ATOM 0 HB VAL A 49 1.691 7.289 0.520 1.00 15.45 H new ATOM 0 HG11 VAL A 49 0.486 5.045 0.420 1.00 24.55 H new ATOM 0 HG12 VAL A 49 2.250 4.897 0.240 1.00 24.55 H new ATOM 0 HG13 VAL A 49 1.479 4.505 1.795 1.00 24.55 H new ATOM 0 HG21 VAL A 49 -0.533 6.751 1.585 1.00 3.12 H new ATOM 0 HG22 VAL A 49 0.329 6.377 3.096 1.00 3.12 H new ATOM 0 HG23 VAL A 49 0.368 8.029 2.435 1.00 3.12 H new ATOM 732 N MET A 50 4.551 7.415 0.295 1.00 33.11 N ATOM 733 CA MET A 50 5.707 7.184 -0.559 1.00 3.35 C ATOM 734 C MET A 50 6.979 7.206 0.277 1.00 23.13 C ATOM 735 O MET A 50 7.772 6.278 0.171 1.00 34.42 O ATOM 736 CB MET A 50 5.806 8.141 -1.752 1.00 31.21 C ATOM 737 CG MET A 50 4.571 8.191 -2.657 1.00 3.32 C ATOM 738 SD MET A 50 4.229 6.780 -3.743 1.00 34.22 S ATOM 739 CE MET A 50 3.526 5.563 -2.619 1.00 12.11 C ATOM 0 H MET A 50 4.080 8.305 0.132 1.00 33.11 H new ATOM 0 HA MET A 50 5.576 6.197 -1.002 1.00 3.35 H new ATOM 0 HB2 MET A 50 6.001 9.145 -1.376 1.00 31.21 H new ATOM 0 HB3 MET A 50 6.667 7.854 -2.356 1.00 31.21 H new ATOM 0 HG2 MET A 50 3.699 8.336 -2.019 1.00 3.32 H new ATOM 0 HG3 MET A 50 4.657 9.078 -3.285 1.00 3.32 H new ATOM 0 HE1 MET A 50 2.687 5.062 -3.103 1.00 12.11 H new ATOM 0 HE2 MET A 50 4.286 4.827 -2.358 1.00 12.11 H new ATOM 0 HE3 MET A 50 3.178 6.062 -1.714 1.00 12.11 H new ATOM 749 N ARG A 51 7.212 8.212 1.124 1.00 54.42 N ATOM 750 CA ARG A 51 8.415 8.282 1.933 1.00 22.32 C ATOM 751 C ARG A 51 8.570 7.042 2.817 1.00 53.00 C ATOM 752 O ARG A 51 9.680 6.506 2.897 1.00 44.42 O ATOM 753 CB ARG A 51 8.363 9.559 2.774 1.00 71.42 C ATOM 754 CG ARG A 51 9.783 9.998 3.104 1.00 14.05 C ATOM 755 CD ARG A 51 9.818 11.018 4.240 1.00 62.21 C ATOM 756 NE ARG A 51 11.168 11.575 4.410 1.00 12.44 N ATOM 757 CZ ARG A 51 11.739 11.925 5.568 1.00 55.13 C ATOM 758 NH1 ARG A 51 11.194 11.621 6.738 1.00 35.21 N ATOM 759 NH2 ARG A 51 12.889 12.586 5.541 1.00 3.31 N ATOM 0 H ARG A 51 6.571 8.993 1.262 1.00 54.42 H new ATOM 0 HA ARG A 51 9.287 8.309 1.280 1.00 22.32 H new ATOM 0 HB2 ARG A 51 7.843 10.347 2.229 1.00 71.42 H new ATOM 0 HB3 ARG A 51 7.802 9.382 3.691 1.00 71.42 H new ATOM 0 HG2 ARG A 51 10.377 9.127 3.381 1.00 14.05 H new ATOM 0 HG3 ARG A 51 10.245 10.429 2.216 1.00 14.05 H new ATOM 0 HD2 ARG A 51 9.113 11.823 4.032 1.00 62.21 H new ATOM 0 HD3 ARG A 51 9.497 10.545 5.168 1.00 62.21 H new ATOM 0 HE ARG A 51 11.722 11.707 3.564 1.00 12.44 H new ATOM 0 HH11 ARG A 51 10.314 11.106 6.772 1.00 35.21 H new ATOM 0 HH12 ARG A 51 11.654 11.902 7.604 1.00 35.21 H new ATOM 0 HH21 ARG A 51 13.323 12.819 4.648 1.00 3.31 H new ATOM 0 HH22 ARG A 51 13.340 12.861 6.414 1.00 3.31 H new ATOM 773 N LYS A 52 7.477 6.564 3.423 1.00 34.24 N ATOM 774 CA LYS A 52 7.456 5.330 4.198 1.00 40.20 C ATOM 775 C LYS A 52 7.946 4.169 3.353 1.00 51.04 C ATOM 776 O LYS A 52 8.893 3.491 3.743 1.00 62.13 O ATOM 777 CB LYS A 52 6.060 5.085 4.803 1.00 20.34 C ATOM 778 CG LYS A 52 5.981 3.841 5.716 1.00 64.21 C ATOM 779 CD LYS A 52 5.578 2.546 4.983 1.00 35.43 C ATOM 780 CE LYS A 52 5.280 1.409 5.973 1.00 40.12 C ATOM 781 NZ LYS A 52 6.507 0.699 6.382 1.00 12.24 N ATOM 0 H LYS A 52 6.573 7.034 3.385 1.00 34.24 H new ATOM 0 HA LYS A 52 8.143 5.424 5.039 1.00 40.20 H new ATOM 0 HB2 LYS A 52 5.764 5.963 5.377 1.00 20.34 H new ATOM 0 HB3 LYS A 52 5.338 4.975 3.993 1.00 20.34 H new ATOM 0 HG2 LYS A 52 6.950 3.690 6.191 1.00 64.21 H new ATOM 0 HG3 LYS A 52 5.262 4.033 6.513 1.00 64.21 H new ATOM 0 HD2 LYS A 52 4.698 2.734 4.367 1.00 35.43 H new ATOM 0 HD3 LYS A 52 6.380 2.243 4.310 1.00 35.43 H new ATOM 0 HE2 LYS A 52 4.785 1.816 6.855 1.00 40.12 H new ATOM 0 HE3 LYS A 52 4.587 0.702 5.516 1.00 40.12 H new ATOM 0 HZ1 LYS A 52 6.430 0.419 7.381 1.00 12.24 H new ATOM 0 HZ2 LYS A 52 6.630 -0.149 5.793 1.00 12.24 H new ATOM 0 HZ3 LYS A 52 7.328 1.326 6.261 1.00 12.24 H new ATOM 795 N VAL A 53 7.302 3.893 2.218 1.00 61.12 N ATOM 796 CA VAL A 53 7.591 2.681 1.467 1.00 64.52 C ATOM 797 C VAL A 53 8.987 2.765 0.855 1.00 22.25 C ATOM 798 O VAL A 53 9.677 1.751 0.801 1.00 52.33 O ATOM 799 CB VAL A 53 6.477 2.425 0.440 1.00 31.43 C ATOM 800 CG1 VAL A 53 6.513 3.360 -0.767 1.00 22.24 C ATOM 801 CG2 VAL A 53 6.470 0.975 -0.037 1.00 12.22 C ATOM 0 H VAL A 53 6.584 4.489 1.806 1.00 61.12 H new ATOM 0 HA VAL A 53 7.602 1.816 2.130 1.00 64.52 H new ATOM 0 HB VAL A 53 5.554 2.637 0.979 1.00 31.43 H new ATOM 0 HG11 VAL A 53 5.694 3.113 -1.443 1.00 22.24 H new ATOM 0 HG12 VAL A 53 6.408 4.392 -0.431 1.00 22.24 H new ATOM 0 HG13 VAL A 53 7.463 3.243 -1.289 1.00 22.24 H new ATOM 0 HG21 VAL A 53 5.668 0.834 -0.762 1.00 12.22 H new ATOM 0 HG22 VAL A 53 7.427 0.741 -0.504 1.00 12.22 H new ATOM 0 HG23 VAL A 53 6.310 0.313 0.814 1.00 12.22 H new ATOM 811 N LEU A 54 9.409 3.955 0.422 1.00 63.14 N ATOM 812 CA LEU A 54 10.722 4.196 -0.151 1.00 74.11 C ATOM 813 C LEU A 54 11.808 3.914 0.897 1.00 74.23 C ATOM 814 O LEU A 54 12.799 3.251 0.588 1.00 15.33 O ATOM 815 CB LEU A 54 10.807 5.647 -0.662 1.00 64.22 C ATOM 816 CG LEU A 54 10.343 5.969 -2.101 1.00 24.55 C ATOM 817 CD1 LEU A 54 9.169 5.173 -2.662 1.00 42.24 C ATOM 818 CD2 LEU A 54 10.006 7.462 -2.198 1.00 53.30 C ATOM 0 H LEU A 54 8.829 4.793 0.464 1.00 63.14 H new ATOM 0 HA LEU A 54 10.882 3.525 -0.995 1.00 74.11 H new ATOM 0 HB2 LEU A 54 10.224 6.269 0.017 1.00 64.22 H new ATOM 0 HB3 LEU A 54 11.846 5.966 -0.573 1.00 64.22 H new ATOM 0 HG LEU A 54 11.191 5.669 -2.716 1.00 24.55 H new ATOM 0 HD11 LEU A 54 8.956 5.506 -3.678 1.00 42.24 H new ATOM 0 HD12 LEU A 54 9.421 4.113 -2.673 1.00 42.24 H new ATOM 0 HD13 LEU A 54 8.290 5.331 -2.036 1.00 42.24 H new ATOM 0 HD21 LEU A 54 9.678 7.696 -3.211 1.00 53.30 H new ATOM 0 HD22 LEU A 54 9.209 7.702 -1.494 1.00 53.30 H new ATOM 0 HD23 LEU A 54 10.891 8.051 -1.958 1.00 53.30 H new ATOM 830 N GLY A 55 11.609 4.383 2.133 1.00 34.41 N ATOM 831 CA GLY A 55 12.524 4.169 3.247 1.00 51.32 C ATOM 832 C GLY A 55 12.578 2.703 3.642 1.00 63.42 C ATOM 833 O GLY A 55 13.658 2.119 3.707 1.00 43.33 O ATOM 0 H GLY A 55 10.788 4.933 2.387 1.00 34.41 H new ATOM 0 HA2 GLY A 55 13.522 4.511 2.972 1.00 51.32 H new ATOM 0 HA3 GLY A 55 12.207 4.767 4.101 1.00 51.32 H new ATOM 837 N ASP A 56 11.418 2.073 3.837 1.00 53.21 N ATOM 838 CA ASP A 56 11.330 0.648 4.162 1.00 40.00 C ATOM 839 C ASP A 56 11.742 -0.251 2.988 1.00 3.05 C ATOM 840 O ASP A 56 11.821 -1.464 3.153 1.00 4.31 O ATOM 841 CB ASP A 56 9.911 0.275 4.629 1.00 41.00 C ATOM 842 CG ASP A 56 9.731 0.283 6.140 1.00 73.42 C ATOM 843 OD1 ASP A 56 10.056 -0.730 6.796 1.00 40.00 O ATOM 844 OD2 ASP A 56 9.117 1.253 6.648 1.00 41.43 O ATOM 0 H ASP A 56 10.512 2.537 3.774 1.00 53.21 H new ATOM 0 HA ASP A 56 12.035 0.475 4.975 1.00 40.00 H new ATOM 0 HB2 ASP A 56 9.200 0.972 4.186 1.00 41.00 H new ATOM 0 HB3 ASP A 56 9.664 -0.717 4.250 1.00 41.00 H new ATOM 849 N LEU A 57 11.942 0.287 1.780 1.00 34.23 N ATOM 850 CA LEU A 57 12.535 -0.446 0.664 1.00 41.10 C ATOM 851 C LEU A 57 14.052 -0.344 0.721 1.00 15.41 C ATOM 852 O LEU A 57 14.701 -1.109 0.022 1.00 42.34 O ATOM 853 CB LEU A 57 12.036 0.078 -0.701 1.00 52.04 C ATOM 854 CG LEU A 57 10.748 -0.601 -1.200 1.00 62.44 C ATOM 855 CD1 LEU A 57 10.194 0.183 -2.391 1.00 52.24 C ATOM 856 CD2 LEU A 57 10.962 -2.054 -1.650 1.00 54.34 C ATOM 0 H LEU A 57 11.694 1.250 1.551 1.00 34.23 H new ATOM 0 HA LEU A 57 12.227 -1.487 0.758 1.00 41.10 H new ATOM 0 HB2 LEU A 57 11.862 1.151 -0.625 1.00 52.04 H new ATOM 0 HB3 LEU A 57 12.821 -0.066 -1.443 1.00 52.04 H new ATOM 0 HG LEU A 57 10.056 -0.610 -0.358 1.00 62.44 H new ATOM 0 HD11 LEU A 57 9.281 -0.294 -2.748 1.00 52.24 H new ATOM 0 HD12 LEU A 57 9.972 1.205 -2.083 1.00 52.24 H new ATOM 0 HD13 LEU A 57 10.933 0.198 -3.192 1.00 52.24 H new ATOM 0 HD21 LEU A 57 10.015 -2.473 -1.990 1.00 54.34 H new ATOM 0 HD22 LEU A 57 11.684 -2.079 -2.467 1.00 54.34 H new ATOM 0 HD23 LEU A 57 11.340 -2.642 -0.814 1.00 54.34 H new ATOM 868 N ASP A 58 14.638 0.582 1.488 1.00 31.35 N ATOM 869 CA ASP A 58 16.089 0.791 1.564 1.00 21.14 C ATOM 870 C ASP A 58 16.681 1.131 0.181 1.00 55.03 C ATOM 871 O ASP A 58 17.864 0.933 -0.087 1.00 11.13 O ATOM 872 CB ASP A 58 16.713 -0.442 2.233 1.00 1.11 C ATOM 873 CG ASP A 58 18.175 -0.297 2.635 1.00 13.32 C ATOM 874 OD1 ASP A 58 18.498 0.615 3.430 1.00 62.42 O ATOM 875 OD2 ASP A 58 18.940 -1.241 2.322 1.00 14.41 O ATOM 0 H ASP A 58 14.108 1.218 2.084 1.00 31.35 H new ATOM 0 HA ASP A 58 16.326 1.660 2.178 1.00 21.14 H new ATOM 0 HB2 ASP A 58 16.132 -0.685 3.122 1.00 1.11 H new ATOM 0 HB3 ASP A 58 16.623 -1.288 1.552 1.00 1.11 H new ATOM 880 N GLY A 59 15.841 1.637 -0.734 1.00 31.41 N ATOM 881 CA GLY A 59 16.195 1.895 -2.126 1.00 61.43 C ATOM 882 C GLY A 59 16.177 0.642 -3.012 1.00 2.11 C ATOM 883 O GLY A 59 16.815 0.641 -4.068 1.00 4.35 O ATOM 0 H GLY A 59 14.875 1.882 -0.515 1.00 31.41 H new ATOM 0 HA2 GLY A 59 15.502 2.629 -2.537 1.00 61.43 H new ATOM 0 HA3 GLY A 59 17.189 2.340 -2.162 1.00 61.43 H new ATOM 887 N LYS A 60 15.470 -0.429 -2.622 1.00 14.42 N ATOM 888 CA LYS A 60 15.375 -1.669 -3.391 1.00 24.54 C ATOM 889 C LYS A 60 14.820 -1.484 -4.799 1.00 1.02 C ATOM 890 O LYS A 60 15.210 -2.244 -5.684 1.00 54.23 O ATOM 891 CB LYS A 60 14.497 -2.699 -2.673 1.00 42.33 C ATOM 892 CG LYS A 60 15.288 -3.841 -2.026 1.00 62.41 C ATOM 893 CD LYS A 60 14.397 -5.077 -1.842 1.00 31.42 C ATOM 894 CE LYS A 60 15.192 -6.386 -1.748 1.00 13.35 C ATOM 895 NZ LYS A 60 15.832 -6.742 -3.034 1.00 63.53 N ATOM 0 H LYS A 60 14.942 -0.454 -1.750 1.00 14.42 H new ATOM 0 HA LYS A 60 16.404 -2.019 -3.475 1.00 24.54 H new ATOM 0 HB2 LYS A 60 13.913 -2.192 -1.904 1.00 42.33 H new ATOM 0 HB3 LYS A 60 13.788 -3.119 -3.387 1.00 42.33 H new ATOM 0 HG2 LYS A 60 16.147 -4.094 -2.648 1.00 62.41 H new ATOM 0 HG3 LYS A 60 15.678 -3.519 -1.060 1.00 62.41 H new ATOM 0 HD2 LYS A 60 13.801 -4.956 -0.938 1.00 31.42 H new ATOM 0 HD3 LYS A 60 13.700 -5.142 -2.677 1.00 31.42 H new ATOM 0 HE2 LYS A 60 15.957 -6.291 -0.977 1.00 13.35 H new ATOM 0 HE3 LYS A 60 14.527 -7.192 -1.439 1.00 13.35 H new ATOM 0 HZ1 LYS A 60 16.138 -7.735 -3.006 1.00 63.53 H new ATOM 0 HZ2 LYS A 60 15.151 -6.611 -3.809 1.00 63.53 H new ATOM 0 HZ3 LYS A 60 16.658 -6.130 -3.192 1.00 63.53 H new ATOM 909 N ARG A 61 13.850 -0.588 -4.981 1.00 63.13 N ATOM 910 CA ARG A 61 13.222 -0.318 -6.267 1.00 73.13 C ATOM 911 C ARG A 61 13.042 1.187 -6.376 1.00 52.41 C ATOM 912 O ARG A 61 12.869 1.838 -5.336 1.00 62.51 O ATOM 913 CB ARG A 61 11.849 -1.003 -6.388 1.00 75.22 C ATOM 914 CG ARG A 61 11.885 -2.532 -6.360 1.00 33.43 C ATOM 915 CD ARG A 61 12.564 -3.164 -7.579 1.00 61.23 C ATOM 916 NE ARG A 61 12.485 -4.629 -7.494 1.00 73.53 N ATOM 917 CZ ARG A 61 11.408 -5.385 -7.727 1.00 35.53 C ATOM 918 NH1 ARG A 61 10.297 -4.863 -8.228 1.00 11.45 N ATOM 919 NH2 ARG A 61 11.462 -6.676 -7.425 1.00 35.33 N ATOM 0 H ARG A 61 13.474 -0.020 -4.222 1.00 63.13 H new ATOM 0 HA ARG A 61 13.853 -0.710 -7.065 1.00 73.13 H new ATOM 0 HB2 ARG A 61 11.213 -0.655 -5.574 1.00 75.22 H new ATOM 0 HB3 ARG A 61 11.381 -0.682 -7.319 1.00 75.22 H new ATOM 0 HG2 ARG A 61 12.406 -2.856 -5.459 1.00 33.43 H new ATOM 0 HG3 ARG A 61 10.864 -2.908 -6.291 1.00 33.43 H new ATOM 0 HD2 ARG A 61 12.083 -2.818 -8.494 1.00 61.23 H new ATOM 0 HD3 ARG A 61 13.607 -2.850 -7.629 1.00 61.23 H new ATOM 0 HE ARG A 61 13.340 -5.119 -7.230 1.00 73.53 H new ATOM 0 HH11 ARG A 61 10.253 -3.867 -8.443 1.00 11.45 H new ATOM 0 HH12 ARG A 61 9.486 -5.458 -8.398 1.00 11.45 H new ATOM 0 HH21 ARG A 61 12.313 -7.071 -7.024 1.00 35.33 H new ATOM 0 HH22 ARG A 61 10.653 -7.273 -7.594 1.00 35.33 H new ATOM 933 N PRO A 62 13.013 1.735 -7.598 1.00 64.21 N ATOM 934 CA PRO A 62 12.810 3.152 -7.792 1.00 74.53 C ATOM 935 C PRO A 62 11.402 3.544 -7.369 1.00 0.13 C ATOM 936 O PRO A 62 10.429 2.844 -7.662 1.00 0.45 O ATOM 937 CB PRO A 62 13.036 3.412 -9.284 1.00 50.12 C ATOM 938 CG PRO A 62 12.846 2.047 -9.941 1.00 10.03 C ATOM 939 CD PRO A 62 13.277 1.066 -8.861 1.00 4.32 C ATOM 0 HA PRO A 62 13.495 3.747 -7.188 1.00 74.53 H new ATOM 0 HB2 PRO A 62 12.326 4.142 -9.672 1.00 50.12 H new ATOM 0 HB3 PRO A 62 14.034 3.808 -9.472 1.00 50.12 H new ATOM 0 HG2 PRO A 62 11.810 1.886 -10.238 1.00 10.03 H new ATOM 0 HG3 PRO A 62 13.455 1.947 -10.840 1.00 10.03 H new ATOM 0 HD2 PRO A 62 12.719 0.132 -8.934 1.00 4.32 H new ATOM 0 HD3 PRO A 62 14.333 0.815 -8.958 1.00 4.32 H new ATOM 947 N GLU A 63 11.298 4.760 -6.843 1.00 51.21 N ATOM 948 CA GLU A 63 10.062 5.490 -6.584 1.00 41.02 C ATOM 949 C GLU A 63 9.115 5.366 -7.781 1.00 12.24 C ATOM 950 O GLU A 63 7.944 5.046 -7.597 1.00 32.41 O ATOM 951 CB GLU A 63 10.482 6.917 -6.246 1.00 53.00 C ATOM 952 CG GLU A 63 9.407 7.989 -6.385 1.00 21.51 C ATOM 953 CD GLU A 63 8.252 8.007 -5.390 1.00 73.10 C ATOM 954 OE1 GLU A 63 7.347 7.170 -5.531 1.00 72.21 O ATOM 955 OE2 GLU A 63 8.154 8.987 -4.615 1.00 0.11 O ATOM 0 H GLU A 63 12.123 5.294 -6.570 1.00 51.21 H new ATOM 0 HA GLU A 63 9.490 5.088 -5.747 1.00 41.02 H new ATOM 0 HB2 GLU A 63 10.849 6.932 -5.220 1.00 53.00 H new ATOM 0 HB3 GLU A 63 11.320 7.188 -6.888 1.00 53.00 H new ATOM 0 HG2 GLU A 63 9.901 8.959 -6.334 1.00 21.51 H new ATOM 0 HG3 GLU A 63 8.980 7.900 -7.384 1.00 21.51 H new ATOM 962 N ALA A 64 9.629 5.523 -9.001 1.00 54.13 N ATOM 963 CA ALA A 64 8.834 5.450 -10.224 1.00 32.25 C ATOM 964 C ALA A 64 8.022 4.150 -10.319 1.00 62.42 C ATOM 965 O ALA A 64 6.813 4.210 -10.566 1.00 64.22 O ATOM 966 CB ALA A 64 9.744 5.616 -11.446 1.00 14.34 C ATOM 0 H ALA A 64 10.618 5.706 -9.168 1.00 54.13 H new ATOM 0 HA ALA A 64 8.112 6.266 -10.198 1.00 32.25 H new ATOM 0 HB1 ALA A 64 9.146 5.561 -12.355 1.00 14.34 H new ATOM 0 HB2 ALA A 64 10.244 6.584 -11.399 1.00 14.34 H new ATOM 0 HB3 ALA A 64 10.491 4.822 -11.454 1.00 14.34 H new ATOM 972 N GLU A 65 8.670 2.996 -10.118 1.00 53.33 N ATOM 973 CA GLU A 65 8.022 1.695 -10.176 1.00 13.15 C ATOM 974 C GLU A 65 7.018 1.547 -9.025 1.00 43.40 C ATOM 975 O GLU A 65 5.906 1.044 -9.205 1.00 54.04 O ATOM 976 CB GLU A 65 9.114 0.606 -10.106 1.00 71.32 C ATOM 977 CG GLU A 65 8.477 -0.769 -10.301 1.00 13.24 C ATOM 978 CD GLU A 65 9.433 -1.957 -10.146 1.00 33.41 C ATOM 979 OE1 GLU A 65 9.814 -2.279 -9.000 1.00 40.14 O ATOM 980 OE2 GLU A 65 9.711 -2.649 -11.156 1.00 52.02 O ATOM 0 H GLU A 65 9.667 2.947 -9.909 1.00 53.33 H new ATOM 0 HA GLU A 65 7.466 1.592 -11.108 1.00 13.15 H new ATOM 0 HB2 GLU A 65 9.867 0.782 -10.874 1.00 71.32 H new ATOM 0 HB3 GLU A 65 9.624 0.649 -9.144 1.00 71.32 H new ATOM 0 HG2 GLU A 65 7.664 -0.881 -9.583 1.00 13.24 H new ATOM 0 HG3 GLU A 65 8.032 -0.808 -11.295 1.00 13.24 H new ATOM 987 N VAL A 66 7.434 1.964 -7.831 1.00 2.03 N ATOM 988 CA VAL A 66 6.706 1.786 -6.586 1.00 35.14 C ATOM 989 C VAL A 66 5.368 2.523 -6.664 1.00 15.01 C ATOM 990 O VAL A 66 4.318 1.916 -6.427 1.00 12.25 O ATOM 991 CB VAL A 66 7.626 2.247 -5.436 1.00 51.21 C ATOM 992 CG1 VAL A 66 6.934 2.288 -4.072 1.00 43.31 C ATOM 993 CG2 VAL A 66 8.844 1.315 -5.306 1.00 41.02 C ATOM 0 H VAL A 66 8.320 2.453 -7.704 1.00 2.03 H new ATOM 0 HA VAL A 66 6.449 0.743 -6.398 1.00 35.14 H new ATOM 0 HB VAL A 66 7.923 3.261 -5.703 1.00 51.21 H new ATOM 0 HG11 VAL A 66 7.643 2.621 -3.314 1.00 43.31 H new ATOM 0 HG12 VAL A 66 6.093 2.980 -4.111 1.00 43.31 H new ATOM 0 HG13 VAL A 66 6.572 1.292 -3.818 1.00 43.31 H new ATOM 0 HG21 VAL A 66 9.479 1.658 -4.489 1.00 41.02 H new ATOM 0 HG22 VAL A 66 8.505 0.300 -5.100 1.00 41.02 H new ATOM 0 HG23 VAL A 66 9.412 1.326 -6.237 1.00 41.02 H new ATOM 1003 N ARG A 67 5.366 3.809 -7.026 1.00 13.21 N ATOM 1004 CA ARG A 67 4.113 4.555 -7.073 1.00 32.24 C ATOM 1005 C ARG A 67 3.170 4.042 -8.149 1.00 2.13 C ATOM 1006 O ARG A 67 1.965 4.061 -7.916 1.00 53.13 O ATOM 1007 CB ARG A 67 4.367 6.052 -7.215 1.00 43.22 C ATOM 1008 CG ARG A 67 5.038 6.470 -8.530 1.00 42.30 C ATOM 1009 CD ARG A 67 5.176 7.985 -8.595 1.00 32.23 C ATOM 1010 NE ARG A 67 5.731 8.590 -7.366 1.00 22.15 N ATOM 1011 CZ ARG A 67 5.490 9.855 -6.992 1.00 4.42 C ATOM 1012 NH1 ARG A 67 4.602 10.622 -7.640 1.00 14.33 N ATOM 1013 NH2 ARG A 67 6.145 10.384 -5.974 1.00 61.53 N ATOM 0 H ARG A 67 6.197 4.341 -7.284 1.00 13.21 H new ATOM 0 HA ARG A 67 3.611 4.390 -6.120 1.00 32.24 H new ATOM 0 HB2 ARG A 67 3.416 6.577 -7.126 1.00 43.22 H new ATOM 0 HB3 ARG A 67 4.992 6.380 -6.384 1.00 43.22 H new ATOM 0 HG2 ARG A 67 6.021 6.005 -8.609 1.00 42.30 H new ATOM 0 HG3 ARG A 67 4.449 6.115 -9.376 1.00 42.30 H new ATOM 0 HD2 ARG A 67 5.817 8.246 -9.438 1.00 32.23 H new ATOM 0 HD3 ARG A 67 4.197 8.421 -8.792 1.00 32.23 H new ATOM 0 HE ARG A 67 6.328 8.015 -6.771 1.00 22.15 H new ATOM 0 HH11 ARG A 67 4.090 10.246 -8.439 1.00 14.33 H new ATOM 0 HH12 ARG A 67 4.438 11.581 -7.335 1.00 14.33 H new ATOM 0 HH21 ARG A 67 6.837 9.830 -5.469 1.00 61.53 H new ATOM 0 HH22 ARG A 67 5.959 11.347 -5.693 1.00 61.53 H new ATOM 1027 N ALA A 68 3.680 3.553 -9.285 1.00 50.03 N ATOM 1028 CA ALA A 68 2.822 3.001 -10.329 1.00 4.32 C ATOM 1029 C ALA A 68 2.021 1.808 -9.804 1.00 62.40 C ATOM 1030 O ALA A 68 0.843 1.650 -10.137 1.00 25.35 O ATOM 1031 CB ALA A 68 3.658 2.598 -11.540 1.00 23.51 C ATOM 0 H ALA A 68 4.677 3.530 -9.500 1.00 50.03 H new ATOM 0 HA ALA A 68 2.114 3.771 -10.635 1.00 4.32 H new ATOM 0 HB1 ALA A 68 3.007 2.188 -12.312 1.00 23.51 H new ATOM 0 HB2 ALA A 68 4.177 3.473 -11.931 1.00 23.51 H new ATOM 0 HB3 ALA A 68 4.388 1.845 -11.244 1.00 23.51 H new ATOM 1037 N LYS A 69 2.644 0.985 -8.952 1.00 52.12 N ATOM 1038 CA LYS A 69 1.970 -0.115 -8.278 1.00 11.02 C ATOM 1039 C LYS A 69 0.750 0.426 -7.518 1.00 4.25 C ATOM 1040 O LYS A 69 -0.354 -0.082 -7.702 1.00 40.42 O ATOM 1041 CB LYS A 69 2.981 -0.870 -7.396 1.00 73.30 C ATOM 1042 CG LYS A 69 2.604 -2.345 -7.192 1.00 74.13 C ATOM 1043 CD LYS A 69 3.063 -3.238 -8.351 1.00 54.24 C ATOM 1044 CE LYS A 69 2.753 -4.712 -8.102 1.00 23.34 C ATOM 1045 NZ LYS A 69 1.416 -5.136 -8.548 1.00 2.34 N ATOM 0 H LYS A 69 3.632 1.069 -8.715 1.00 52.12 H new ATOM 0 HA LYS A 69 1.586 -0.844 -8.992 1.00 11.02 H new ATOM 0 HB2 LYS A 69 3.969 -0.812 -7.852 1.00 73.30 H new ATOM 0 HB3 LYS A 69 3.048 -0.379 -6.425 1.00 73.30 H new ATOM 0 HG2 LYS A 69 3.048 -2.704 -6.264 1.00 74.13 H new ATOM 0 HG3 LYS A 69 1.523 -2.428 -7.081 1.00 74.13 H new ATOM 0 HD2 LYS A 69 2.574 -2.916 -9.271 1.00 54.24 H new ATOM 0 HD3 LYS A 69 4.136 -3.114 -8.500 1.00 54.24 H new ATOM 0 HE2 LYS A 69 3.502 -5.319 -8.611 1.00 23.34 H new ATOM 0 HE3 LYS A 69 2.848 -4.916 -7.035 1.00 23.34 H new ATOM 0 HZ1 LYS A 69 1.286 -6.147 -8.343 1.00 2.34 H new ATOM 0 HZ2 LYS A 69 0.691 -4.585 -8.045 1.00 2.34 H new ATOM 0 HZ3 LYS A 69 1.325 -4.976 -9.572 1.00 2.34 H new ATOM 1059 N TYR A 70 0.935 1.473 -6.705 1.00 32.22 N ATOM 1060 CA TYR A 70 -0.102 2.058 -5.850 1.00 11.22 C ATOM 1061 C TYR A 70 -1.214 2.709 -6.680 1.00 52.14 C ATOM 1062 O TYR A 70 -2.399 2.407 -6.506 1.00 71.30 O ATOM 1063 CB TYR A 70 0.558 3.082 -4.913 1.00 23.54 C ATOM 1064 CG TYR A 70 -0.287 3.633 -3.784 1.00 42.30 C ATOM 1065 CD1 TYR A 70 -0.913 2.771 -2.855 1.00 34.44 C ATOM 1066 CD2 TYR A 70 -0.294 5.026 -3.569 1.00 60.40 C ATOM 1067 CE1 TYR A 70 -1.584 3.321 -1.743 1.00 12.12 C ATOM 1068 CE2 TYR A 70 -0.977 5.569 -2.471 1.00 54.31 C ATOM 1069 CZ TYR A 70 -1.636 4.723 -1.553 1.00 43.33 C ATOM 1070 OH TYR A 70 -2.296 5.254 -0.484 1.00 54.40 O ATOM 0 H TYR A 70 1.834 1.948 -6.622 1.00 32.22 H new ATOM 0 HA TYR A 70 -0.571 1.269 -5.262 1.00 11.22 H new ATOM 0 HB2 TYR A 70 1.444 2.619 -4.477 1.00 23.54 H new ATOM 0 HB3 TYR A 70 0.902 3.921 -5.518 1.00 23.54 H new ATOM 0 HD1 TYR A 70 -0.878 1.701 -2.995 1.00 34.44 H new ATOM 0 HD2 TYR A 70 0.229 5.678 -4.253 1.00 60.40 H new ATOM 0 HE1 TYR A 70 -2.063 2.666 -1.030 1.00 12.12 H new ATOM 0 HE2 TYR A 70 -0.999 6.639 -2.327 1.00 54.31 H new ATOM 0 HH TYR A 70 -2.229 6.231 -0.511 1.00 54.40 H new ATOM 1080 N GLU A 71 -0.831 3.586 -7.611 1.00 22.23 N ATOM 1081 CA GLU A 71 -1.706 4.319 -8.522 1.00 54.00 C ATOM 1082 C GLU A 71 -2.530 3.373 -9.412 1.00 44.34 C ATOM 1083 O GLU A 71 -3.601 3.757 -9.895 1.00 12.31 O ATOM 1084 CB GLU A 71 -0.840 5.266 -9.376 1.00 61.22 C ATOM 1085 CG GLU A 71 -0.443 6.568 -8.655 1.00 3.34 C ATOM 1086 CD GLU A 71 -1.401 7.738 -8.926 1.00 50.14 C ATOM 1087 OE1 GLU A 71 -2.637 7.535 -8.995 1.00 71.33 O ATOM 1088 OE2 GLU A 71 -0.938 8.890 -9.087 1.00 5.31 O ATOM 0 H GLU A 71 0.153 3.815 -7.755 1.00 22.23 H new ATOM 0 HA GLU A 71 -2.423 4.896 -7.938 1.00 54.00 H new ATOM 0 HB2 GLU A 71 0.065 4.740 -9.680 1.00 61.22 H new ATOM 0 HB3 GLU A 71 -1.384 5.518 -10.287 1.00 61.22 H new ATOM 0 HG2 GLU A 71 -0.405 6.382 -7.582 1.00 3.34 H new ATOM 0 HG3 GLU A 71 0.562 6.853 -8.965 1.00 3.34 H new ATOM 1095 N GLY A 72 -2.071 2.138 -9.620 1.00 64.42 N ATOM 1096 CA GLY A 72 -2.758 1.124 -10.406 1.00 63.30 C ATOM 1097 C GLY A 72 -3.718 0.258 -9.581 1.00 32.35 C ATOM 1098 O GLY A 72 -4.449 -0.553 -10.151 1.00 32.15 O ATOM 0 H GLY A 72 -1.186 1.811 -9.233 1.00 64.42 H new ATOM 0 HA2 GLY A 72 -3.316 1.611 -11.205 1.00 63.30 H new ATOM 0 HA3 GLY A 72 -2.018 0.480 -10.881 1.00 63.30 H new ATOM 1102 N LEU A 73 -3.770 0.415 -8.253 1.00 12.13 N ATOM 1103 CA LEU A 73 -4.418 -0.524 -7.347 1.00 43.00 C ATOM 1104 C LEU A 73 -5.788 -0.069 -6.890 1.00 62.21 C ATOM 1105 O LEU A 73 -6.444 -0.832 -6.185 1.00 53.22 O ATOM 1106 CB LEU A 73 -3.534 -0.763 -6.109 1.00 52.22 C ATOM 1107 CG LEU A 73 -3.504 -2.222 -5.611 1.00 34.45 C ATOM 1108 CD1 LEU A 73 -2.994 -3.172 -6.704 1.00 53.02 C ATOM 1109 CD2 LEU A 73 -2.475 -2.277 -4.480 1.00 43.20 C ATOM 0 H LEU A 73 -3.354 1.214 -7.775 1.00 12.13 H new ATOM 0 HA LEU A 73 -4.551 -1.446 -7.912 1.00 43.00 H new ATOM 0 HB2 LEU A 73 -2.516 -0.452 -6.341 1.00 52.22 H new ATOM 0 HB3 LEU A 73 -3.886 -0.124 -5.299 1.00 52.22 H new ATOM 0 HG LEU A 73 -4.508 -2.519 -5.310 1.00 34.45 H new ATOM 0 HD11 LEU A 73 -2.984 -4.193 -6.323 1.00 53.02 H new ATOM 0 HD12 LEU A 73 -3.651 -3.115 -7.572 1.00 53.02 H new ATOM 0 HD13 LEU A 73 -1.984 -2.883 -6.995 1.00 53.02 H new ATOM 0 HD21 LEU A 73 -2.416 -3.294 -4.091 1.00 43.20 H new ATOM 0 HD22 LEU A 73 -1.499 -1.977 -4.861 1.00 43.20 H new ATOM 0 HD23 LEU A 73 -2.776 -1.600 -3.681 1.00 43.20 H new ATOM 1121 N MET A 74 -6.237 1.145 -7.232 1.00 61.41 N ATOM 1122 CA MET A 74 -7.531 1.623 -6.743 1.00 41.00 C ATOM 1123 C MET A 74 -8.635 0.665 -7.198 1.00 14.32 C ATOM 1124 O MET A 74 -9.437 0.223 -6.372 1.00 32.32 O ATOM 1125 CB MET A 74 -7.807 3.077 -7.158 1.00 0.02 C ATOM 1126 CG MET A 74 -9.142 3.543 -6.554 1.00 43.42 C ATOM 1127 SD MET A 74 -9.609 5.268 -6.847 1.00 34.33 S ATOM 1128 CE MET A 74 -8.483 6.131 -5.718 1.00 43.21 C ATOM 0 H MET A 74 -5.735 1.800 -7.832 1.00 61.41 H new ATOM 0 HA MET A 74 -7.511 1.631 -5.653 1.00 41.00 H new ATOM 0 HB2 MET A 74 -6.997 3.723 -6.817 1.00 0.02 H new ATOM 0 HB3 MET A 74 -7.841 3.155 -8.245 1.00 0.02 H new ATOM 0 HG2 MET A 74 -9.934 2.905 -6.946 1.00 43.42 H new ATOM 0 HG3 MET A 74 -9.104 3.379 -5.477 1.00 43.42 H new ATOM 0 HE1 MET A 74 -8.652 7.206 -5.786 1.00 43.21 H new ATOM 0 HE2 MET A 74 -8.667 5.799 -4.696 1.00 43.21 H new ATOM 0 HE3 MET A 74 -7.452 5.908 -5.992 1.00 43.21 H new ATOM 1138 N ALA A 75 -8.645 0.295 -8.482 1.00 44.01 N ATOM 1139 CA ALA A 75 -9.638 -0.623 -9.017 1.00 4.12 C ATOM 1140 C ALA A 75 -9.498 -2.010 -8.389 1.00 3.44 C ATOM 1141 O ALA A 75 -10.516 -2.656 -8.140 1.00 72.41 O ATOM 1142 CB ALA A 75 -9.520 -0.717 -10.540 1.00 71.53 C ATOM 0 H ALA A 75 -7.968 0.624 -9.170 1.00 44.01 H new ATOM 0 HA ALA A 75 -10.624 -0.232 -8.766 1.00 4.12 H new ATOM 0 HB1 ALA A 75 -10.271 -1.409 -10.921 1.00 71.53 H new ATOM 0 HB2 ALA A 75 -9.678 0.268 -10.979 1.00 71.53 H new ATOM 0 HB3 ALA A 75 -8.527 -1.078 -10.806 1.00 71.53 H new ATOM 1148 N VAL A 76 -8.272 -2.477 -8.114 1.00 51.04 N ATOM 1149 CA VAL A 76 -8.100 -3.814 -7.545 1.00 23.14 C ATOM 1150 C VAL A 76 -8.654 -3.819 -6.121 1.00 21.22 C ATOM 1151 O VAL A 76 -9.471 -4.664 -5.754 1.00 32.15 O ATOM 1152 CB VAL A 76 -6.626 -4.255 -7.589 1.00 32.55 C ATOM 1153 CG1 VAL A 76 -6.498 -5.703 -7.104 1.00 35.55 C ATOM 1154 CG2 VAL A 76 -6.042 -4.119 -9.005 1.00 15.02 C ATOM 0 H VAL A 76 -7.407 -1.961 -8.273 1.00 51.04 H new ATOM 0 HA VAL A 76 -8.654 -4.538 -8.142 1.00 23.14 H new ATOM 0 HB VAL A 76 -6.058 -3.600 -6.928 1.00 32.55 H new ATOM 0 HG11 VAL A 76 -5.452 -6.007 -7.138 1.00 35.55 H new ATOM 0 HG12 VAL A 76 -6.864 -5.777 -6.080 1.00 35.55 H new ATOM 0 HG13 VAL A 76 -7.087 -6.356 -7.748 1.00 35.55 H new ATOM 0 HG21 VAL A 76 -5.000 -4.439 -9.001 1.00 15.02 H new ATOM 0 HG22 VAL A 76 -6.610 -4.743 -9.694 1.00 15.02 H new ATOM 0 HG23 VAL A 76 -6.101 -3.079 -9.325 1.00 15.02 H new ATOM 1164 N ALA A 77 -8.248 -2.822 -5.334 1.00 54.41 N ATOM 1165 CA ALA A 77 -8.647 -2.655 -3.955 1.00 40.23 C ATOM 1166 C ALA A 77 -10.177 -2.609 -3.863 1.00 14.44 C ATOM 1167 O ALA A 77 -10.794 -3.243 -3.012 1.00 61.13 O ATOM 1168 CB ALA A 77 -8.023 -1.371 -3.402 1.00 32.25 C ATOM 0 H ALA A 77 -7.614 -2.092 -5.658 1.00 54.41 H new ATOM 0 HA ALA A 77 -8.296 -3.497 -3.359 1.00 40.23 H new ATOM 0 HB1 ALA A 77 -8.321 -1.240 -2.362 1.00 32.25 H new ATOM 0 HB2 ALA A 77 -6.937 -1.439 -3.462 1.00 32.25 H new ATOM 0 HB3 ALA A 77 -8.366 -0.518 -3.988 1.00 32.25 H new ATOM 1174 N LYS A 78 -10.803 -1.842 -4.758 1.00 72.53 N ATOM 1175 CA LYS A 78 -12.246 -1.674 -4.798 1.00 51.20 C ATOM 1176 C LYS A 78 -12.986 -2.913 -5.275 1.00 14.23 C ATOM 1177 O LYS A 78 -14.106 -3.116 -4.801 1.00 2.01 O ATOM 1178 CB LYS A 78 -12.594 -0.478 -5.680 1.00 41.04 C ATOM 1179 CG LYS A 78 -12.463 0.839 -4.898 1.00 40.11 C ATOM 1180 CD LYS A 78 -13.052 1.996 -5.705 1.00 35.41 C ATOM 1181 CE LYS A 78 -14.580 1.862 -5.802 1.00 2.05 C ATOM 1182 NZ LYS A 78 -15.106 2.672 -6.903 1.00 51.30 N ATOM 0 H LYS A 78 -10.311 -1.317 -5.481 1.00 72.53 H new ATOM 0 HA LYS A 78 -12.576 -1.500 -3.774 1.00 51.20 H new ATOM 0 HB2 LYS A 78 -11.935 -0.457 -6.548 1.00 41.04 H new ATOM 0 HB3 LYS A 78 -13.612 -0.582 -6.056 1.00 41.04 H new ATOM 0 HG2 LYS A 78 -12.978 0.755 -3.941 1.00 40.11 H new ATOM 0 HG3 LYS A 78 -11.414 1.037 -4.679 1.00 40.11 H new ATOM 0 HD2 LYS A 78 -12.793 2.944 -5.234 1.00 35.41 H new ATOM 0 HD3 LYS A 78 -12.618 2.008 -6.705 1.00 35.41 H new ATOM 0 HE2 LYS A 78 -14.849 0.817 -5.954 1.00 2.05 H new ATOM 0 HE3 LYS A 78 -15.037 2.176 -4.864 1.00 2.05 H new ATOM 0 HZ1 LYS A 78 -16.140 2.566 -6.949 1.00 51.30 H new ATOM 0 HZ2 LYS A 78 -14.867 3.672 -6.743 1.00 51.30 H new ATOM 0 HZ3 LYS A 78 -14.685 2.355 -7.799 1.00 51.30 H new ATOM 1196 N ALA A 79 -12.413 -3.718 -6.174 1.00 35.14 N ATOM 1197 CA ALA A 79 -13.013 -4.988 -6.566 1.00 71.11 C ATOM 1198 C ALA A 79 -13.183 -5.851 -5.318 1.00 33.43 C ATOM 1199 O ALA A 79 -14.275 -6.353 -5.055 1.00 72.14 O ATOM 1200 CB ALA A 79 -12.154 -5.691 -7.625 1.00 3.31 C ATOM 0 H ALA A 79 -11.532 -3.508 -6.643 1.00 35.14 H new ATOM 0 HA ALA A 79 -13.991 -4.815 -7.016 1.00 71.11 H new ATOM 0 HB1 ALA A 79 -12.620 -6.636 -7.903 1.00 3.31 H new ATOM 0 HB2 ALA A 79 -12.070 -5.055 -8.506 1.00 3.31 H new ATOM 0 HB3 ALA A 79 -11.160 -5.882 -7.219 1.00 3.31 H new