USER MOD reduce.3.24.130724 H: found=0, std=0, add=422, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 423 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 26 GLN : amide:sc= -3.11! C(o=-7.4!,f=-3.7!) USER MOD Set 1.2: A 55 GLN : amide:sc= -4.27! C(o=-7.4!,f=-3.7!) USER MOD Set 2.1: A 21 ASN : amide:sc= -1.93! C(o=-3.3!,f=-0.48!) USER MOD Set 2.2: A 52 ASN : amide:sc= -1.36! K(o=-3.3!,f=-0.22) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 MET CE :methyl -116:sc= 0 (180deg=-0.126) USER MOD Single : A 11 ASN : amide:sc= -0.177 K(o=-0.18,f=-1.3) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= 0.513 K(o=0.51,f=-3.5!) USER MOD Single : A 24 ASN : amide:sc= -0.0136 X(o=-0.014,f=-0.014) USER MOD Single : A 25 GLN : amide:sc= 0 K(o=0,f=-0.92) USER MOD Single : A 27 LYS NZ :NH3+ -145:sc= 1.8 (180deg=-1.09) USER MOD Single : A 33 SER OG : rot 81:sc= 1.11 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 SER OG : rot 180:sc=-0.000772 USER MOD Single : A 43 ASN : amide:sc=-3.09e-05 K(o=-3.1e-05,f=-1) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -176:sc= 0.632 (180deg=0.576) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 99 N LYS A 7 -0.903 13.507 -0.035 1.00 0.00 N ATOM 100 CA LYS A 7 -1.323 13.283 -1.425 1.00 0.00 C ATOM 101 C LYS A 7 -0.888 11.901 -1.942 1.00 0.00 C ATOM 102 O LYS A 7 -1.735 11.037 -2.213 1.00 0.00 O ATOM 103 CB LYS A 7 -0.751 14.387 -2.335 1.00 0.00 C ATOM 104 CG LYS A 7 -1.300 15.768 -1.925 1.00 0.00 C ATOM 105 CD LYS A 7 -2.793 15.880 -2.282 1.00 0.00 C ATOM 106 CE LYS A 7 -3.265 17.327 -2.088 1.00 0.00 C ATOM 107 NZ LYS A 7 -4.704 17.435 -2.465 1.00 0.00 N ATOM 0 HA LYS A 7 -2.412 13.317 -1.447 1.00 0.00 H new ATOM 0 HB2 LYS A 7 0.337 14.389 -2.273 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -1.010 14.180 -3.373 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -1.164 15.917 -0.854 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -0.739 16.554 -2.430 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -2.954 15.570 -3.315 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -3.378 15.209 -1.653 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -3.126 17.630 -1.050 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -2.666 18.001 -2.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -5.025 18.416 -2.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -4.823 17.162 -3.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -5.269 16.803 -1.863 1.00 0.00 H new ATOM 121 N GLU A 8 0.426 11.701 -2.088 1.00 0.00 N ATOM 122 CA GLU A 8 0.959 10.430 -2.593 1.00 0.00 C ATOM 123 C GLU A 8 0.583 9.264 -1.674 1.00 0.00 C ATOM 124 O GLU A 8 0.265 8.162 -2.150 1.00 0.00 O ATOM 125 CB GLU A 8 2.490 10.512 -2.712 1.00 0.00 C ATOM 126 CG GLU A 8 2.880 11.572 -3.755 1.00 0.00 C ATOM 127 CD GLU A 8 4.400 11.593 -3.939 1.00 0.00 C ATOM 128 OE1 GLU A 8 5.076 12.121 -3.070 1.00 0.00 O ATOM 129 OE2 GLU A 8 4.867 11.081 -4.944 1.00 0.00 O ATOM 0 H GLU A 8 1.137 12.398 -1.865 1.00 0.00 H new ATOM 0 HA GLU A 8 0.521 10.251 -3.575 1.00 0.00 H new ATOM 0 HB2 GLU A 8 2.925 10.764 -1.745 1.00 0.00 H new ATOM 0 HB3 GLU A 8 2.893 9.541 -3.000 1.00 0.00 H new ATOM 0 HG2 GLU A 8 2.394 11.354 -4.706 1.00 0.00 H new ATOM 0 HG3 GLU A 8 2.531 12.554 -3.436 1.00 0.00 H new ATOM 136 N MET A 9 0.624 9.511 -0.364 1.00 0.00 N ATOM 137 CA MET A 9 0.294 8.478 0.615 1.00 0.00 C ATOM 138 C MET A 9 -1.159 8.030 0.467 1.00 0.00 C ATOM 139 O MET A 9 -1.440 6.833 0.509 1.00 0.00 O ATOM 140 CB MET A 9 0.539 9.002 2.037 1.00 0.00 C ATOM 141 CG MET A 9 2.051 9.161 2.284 1.00 0.00 C ATOM 142 SD MET A 9 2.568 8.029 3.598 1.00 0.00 S ATOM 143 CE MET A 9 2.023 9.028 5.005 1.00 0.00 C ATOM 0 H MET A 9 0.881 10.412 0.040 1.00 0.00 H new ATOM 0 HA MET A 9 0.938 7.618 0.434 1.00 0.00 H new ATOM 0 HB2 MET A 9 0.037 9.960 2.172 1.00 0.00 H new ATOM 0 HB3 MET A 9 0.113 8.313 2.766 1.00 0.00 H new ATOM 0 HG2 MET A 9 2.604 8.950 1.369 1.00 0.00 H new ATOM 0 HG3 MET A 9 2.279 10.189 2.564 1.00 0.00 H new ATOM 0 HE1 MET A 9 2.888 9.322 5.599 1.00 0.00 H new ATOM 0 HE2 MET A 9 1.512 9.920 4.642 1.00 0.00 H new ATOM 0 HE3 MET A 9 1.340 8.445 5.622 1.00 0.00 H new ATOM 153 N ARG A 10 -2.070 8.992 0.284 1.00 0.00 N ATOM 154 CA ARG A 10 -3.494 8.678 0.125 1.00 0.00 C ATOM 155 C ARG A 10 -3.714 7.783 -1.096 1.00 0.00 C ATOM 156 O ARG A 10 -4.537 6.862 -1.055 1.00 0.00 O ATOM 157 CB ARG A 10 -4.311 9.974 -0.018 1.00 0.00 C ATOM 158 CG ARG A 10 -5.817 9.662 -0.073 1.00 0.00 C ATOM 159 CD ARG A 10 -6.611 10.968 -0.209 1.00 0.00 C ATOM 160 NE ARG A 10 -8.049 10.700 -0.121 1.00 0.00 N ATOM 161 CZ ARG A 10 -8.958 11.676 -0.188 1.00 0.00 C ATOM 162 NH1 ARG A 10 -8.591 12.920 -0.347 1.00 0.00 N ATOM 163 NH2 ARG A 10 -10.224 11.387 -0.098 1.00 0.00 N ATOM 0 H ARG A 10 -1.849 9.987 0.243 1.00 0.00 H new ATOM 0 HA ARG A 10 -3.830 8.143 1.013 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -4.102 10.637 0.822 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -4.010 10.502 -0.923 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -6.032 9.005 -0.916 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -6.122 9.132 0.830 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -6.315 11.665 0.575 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -6.380 11.444 -1.162 1.00 0.00 H new ATOM 0 HE ARG A 10 -8.366 9.737 -0.005 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -7.601 13.154 -0.421 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -9.295 13.657 -0.397 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -10.519 10.418 0.023 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -10.921 12.130 -0.149 1.00 0.00 H new ATOM 177 N ASN A 11 -2.986 8.071 -2.182 1.00 0.00 N ATOM 178 CA ASN A 11 -3.124 7.290 -3.417 1.00 0.00 C ATOM 179 C ASN A 11 -2.794 5.812 -3.181 1.00 0.00 C ATOM 180 O ASN A 11 -3.619 4.937 -3.467 1.00 0.00 O ATOM 181 CB ASN A 11 -2.204 7.852 -4.515 1.00 0.00 C ATOM 182 CG ASN A 11 -2.602 9.286 -4.876 1.00 0.00 C ATOM 183 OD1 ASN A 11 -1.749 10.172 -4.932 1.00 0.00 O ATOM 184 ND2 ASN A 11 -3.850 9.568 -5.135 1.00 0.00 N ATOM 0 H ASN A 11 -2.304 8.828 -2.231 1.00 0.00 H new ATOM 0 HA ASN A 11 -4.162 7.367 -3.740 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -1.169 7.832 -4.174 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -2.260 7.220 -5.401 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -4.117 10.521 -5.383 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -4.558 8.836 -5.089 1.00 0.00 H new ATOM 191 N ALA A 12 -1.590 5.537 -2.659 1.00 0.00 N ATOM 192 CA ALA A 12 -1.179 4.148 -2.400 1.00 0.00 C ATOM 193 C ALA A 12 -1.960 3.541 -1.222 1.00 0.00 C ATOM 194 O ALA A 12 -2.185 2.331 -1.187 1.00 0.00 O ATOM 195 CB ALA A 12 0.334 4.071 -2.135 1.00 0.00 C ATOM 0 H ALA A 12 -0.895 6.242 -2.412 1.00 0.00 H new ATOM 0 HA ALA A 12 -1.409 3.564 -3.291 1.00 0.00 H new ATOM 0 HB1 ALA A 12 0.618 3.036 -1.946 1.00 0.00 H new ATOM 0 HB2 ALA A 12 0.875 4.442 -3.005 1.00 0.00 H new ATOM 0 HB3 ALA A 12 0.583 4.680 -1.266 1.00 0.00 H new ATOM 201 N TYR A 13 -2.365 4.385 -0.265 1.00 0.00 N ATOM 202 CA TYR A 13 -3.116 3.919 0.913 1.00 0.00 C ATOM 203 C TYR A 13 -4.400 3.192 0.499 1.00 0.00 C ATOM 204 O TYR A 13 -4.602 2.019 0.836 1.00 0.00 O ATOM 205 CB TYR A 13 -3.464 5.135 1.803 1.00 0.00 C ATOM 206 CG TYR A 13 -4.374 4.737 2.956 1.00 0.00 C ATOM 207 CD1 TYR A 13 -5.767 4.722 2.778 1.00 0.00 C ATOM 208 CD2 TYR A 13 -3.830 4.394 4.200 1.00 0.00 C ATOM 209 CE1 TYR A 13 -6.607 4.363 3.839 1.00 0.00 C ATOM 210 CE2 TYR A 13 -4.673 4.036 5.261 1.00 0.00 C ATOM 211 CZ TYR A 13 -6.060 4.020 5.079 1.00 0.00 C ATOM 212 OH TYR A 13 -6.889 3.667 6.124 1.00 0.00 O ATOM 0 H TYR A 13 -2.188 5.389 -0.280 1.00 0.00 H new ATOM 0 HA TYR A 13 -2.496 3.215 1.468 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -2.547 5.574 2.196 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -3.952 5.901 1.200 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -6.191 4.988 1.821 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -2.759 4.405 4.342 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -7.678 4.351 3.699 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -4.252 3.772 6.220 1.00 0.00 H new ATOM 0 HH TYR A 13 -6.348 3.457 6.914 1.00 0.00 H new ATOM 222 N TRP A 14 -5.264 3.908 -0.213 1.00 0.00 N ATOM 223 CA TRP A 14 -6.543 3.361 -0.660 1.00 0.00 C ATOM 224 C TRP A 14 -6.364 2.259 -1.711 1.00 0.00 C ATOM 225 O TRP A 14 -7.063 1.242 -1.668 1.00 0.00 O ATOM 226 CB TRP A 14 -7.390 4.498 -1.233 1.00 0.00 C ATOM 227 CG TRP A 14 -8.785 4.021 -1.517 1.00 0.00 C ATOM 228 CD1 TRP A 14 -9.765 3.893 -0.591 1.00 0.00 C ATOM 229 CD2 TRP A 14 -9.370 3.614 -2.790 1.00 0.00 C ATOM 230 NE1 TRP A 14 -10.911 3.434 -1.214 1.00 0.00 N ATOM 231 CE2 TRP A 14 -10.719 3.246 -2.568 1.00 0.00 C ATOM 232 CE3 TRP A 14 -8.867 3.529 -4.101 1.00 0.00 C ATOM 233 CZ2 TRP A 14 -11.539 2.809 -3.608 1.00 0.00 C ATOM 234 CZ3 TRP A 14 -9.691 3.089 -5.152 1.00 0.00 C ATOM 235 CH2 TRP A 14 -11.024 2.730 -4.905 1.00 0.00 C ATOM 0 H TRP A 14 -5.101 4.875 -0.495 1.00 0.00 H new ATOM 0 HA TRP A 14 -7.041 2.907 0.197 1.00 0.00 H new ATOM 0 HB2 TRP A 14 -7.420 5.329 -0.528 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -6.934 4.874 -2.149 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -9.667 4.113 0.462 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -11.792 3.256 -0.731 1.00 0.00 H new ATOM 0 HE3 TRP A 14 -7.842 3.803 -4.301 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -12.565 2.534 -3.413 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 -9.295 3.027 -6.155 1.00 0.00 H new ATOM 0 HH2 TRP A 14 -11.652 2.393 -5.716 1.00 0.00 H new ATOM 246 N GLU A 15 -5.451 2.480 -2.666 1.00 0.00 N ATOM 247 CA GLU A 15 -5.222 1.508 -3.741 1.00 0.00 C ATOM 248 C GLU A 15 -4.772 0.151 -3.186 1.00 0.00 C ATOM 249 O GLU A 15 -5.299 -0.888 -3.591 1.00 0.00 O ATOM 250 CB GLU A 15 -4.180 2.054 -4.727 1.00 0.00 C ATOM 251 CG GLU A 15 -4.104 1.146 -5.972 1.00 0.00 C ATOM 252 CD GLU A 15 -3.079 1.661 -7.002 1.00 0.00 C ATOM 253 OE1 GLU A 15 -2.433 2.673 -6.753 1.00 0.00 O ATOM 254 OE2 GLU A 15 -2.955 1.026 -8.039 1.00 0.00 O ATOM 0 H GLU A 15 -4.865 3.314 -2.716 1.00 0.00 H new ATOM 0 HA GLU A 15 -6.166 1.354 -4.264 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -4.444 3.069 -5.023 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -3.204 2.106 -4.245 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -3.834 0.135 -5.667 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -5.088 1.087 -6.438 1.00 0.00 H new ATOM 261 N ILE A 16 -3.813 0.161 -2.255 1.00 0.00 N ATOM 262 CA ILE A 16 -3.330 -1.088 -1.654 1.00 0.00 C ATOM 263 C ILE A 16 -4.451 -1.763 -0.861 1.00 0.00 C ATOM 264 O ILE A 16 -4.680 -2.969 -0.997 1.00 0.00 O ATOM 265 CB ILE A 16 -2.121 -0.802 -0.737 1.00 0.00 C ATOM 266 CG1 ILE A 16 -0.933 -0.325 -1.594 1.00 0.00 C ATOM 267 CG2 ILE A 16 -1.719 -2.075 0.034 1.00 0.00 C ATOM 268 CD1 ILE A 16 0.174 0.236 -0.692 1.00 0.00 C ATOM 0 H ILE A 16 -3.361 1.006 -1.905 1.00 0.00 H new ATOM 0 HA ILE A 16 -3.014 -1.762 -2.450 1.00 0.00 H new ATOM 0 HB ILE A 16 -2.396 -0.028 -0.020 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -0.545 -1.154 -2.186 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -1.264 0.441 -2.296 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -0.865 -1.857 0.676 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -2.557 -2.410 0.645 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -1.450 -2.859 -0.674 1.00 0.00 H new ATOM 0 HD11 ILE A 16 1.010 0.571 -1.307 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -0.215 1.078 -0.119 1.00 0.00 H new ATOM 0 HD13 ILE A 16 0.515 -0.541 -0.008 1.00 0.00 H new ATOM 280 N ALA A 17 -5.140 -0.973 -0.031 1.00 0.00 N ATOM 281 CA ALA A 17 -6.231 -1.487 0.797 1.00 0.00 C ATOM 282 C ALA A 17 -7.334 -2.123 -0.057 1.00 0.00 C ATOM 283 O ALA A 17 -8.028 -3.036 0.401 1.00 0.00 O ATOM 284 CB ALA A 17 -6.825 -0.347 1.634 1.00 0.00 C ATOM 0 H ALA A 17 -4.960 0.024 0.084 1.00 0.00 H new ATOM 0 HA ALA A 17 -5.822 -2.257 1.451 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -7.637 -0.733 2.250 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -6.051 0.074 2.276 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -7.209 0.429 0.972 1.00 0.00 H new ATOM 290 N LEU A 18 -7.494 -1.627 -1.289 1.00 0.00 N ATOM 291 CA LEU A 18 -8.522 -2.141 -2.201 1.00 0.00 C ATOM 292 C LEU A 18 -8.322 -3.635 -2.488 1.00 0.00 C ATOM 293 O LEU A 18 -9.301 -4.376 -2.617 1.00 0.00 O ATOM 294 CB LEU A 18 -8.495 -1.348 -3.520 1.00 0.00 C ATOM 295 CG LEU A 18 -9.685 -1.747 -4.417 1.00 0.00 C ATOM 296 CD1 LEU A 18 -11.005 -1.262 -3.796 1.00 0.00 C ATOM 297 CD2 LEU A 18 -9.513 -1.108 -5.805 1.00 0.00 C ATOM 0 H LEU A 18 -6.927 -0.873 -1.677 1.00 0.00 H new ATOM 0 HA LEU A 18 -9.492 -2.017 -1.718 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -8.534 -0.279 -3.309 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -7.558 -1.536 -4.044 1.00 0.00 H new ATOM 0 HG LEU A 18 -9.712 -2.833 -4.508 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -11.837 -1.550 -4.439 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -11.133 -1.715 -2.813 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -10.983 -0.177 -3.696 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -10.353 -1.388 -6.441 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -9.480 -0.023 -5.705 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -8.584 -1.459 -6.255 1.00 0.00 H new ATOM 309 N LEU A 19 -7.060 -4.074 -2.592 1.00 0.00 N ATOM 310 CA LEU A 19 -6.770 -5.485 -2.873 1.00 0.00 C ATOM 311 C LEU A 19 -7.264 -6.368 -1.710 1.00 0.00 C ATOM 312 O LEU A 19 -6.839 -6.179 -0.564 1.00 0.00 O ATOM 313 CB LEU A 19 -5.253 -5.678 -3.083 1.00 0.00 C ATOM 314 CG LEU A 19 -4.866 -5.619 -4.583 1.00 0.00 C ATOM 315 CD1 LEU A 19 -5.628 -4.508 -5.327 1.00 0.00 C ATOM 316 CD2 LEU A 19 -3.358 -5.353 -4.706 1.00 0.00 C ATOM 0 H LEU A 19 -6.236 -3.482 -2.488 1.00 0.00 H new ATOM 0 HA LEU A 19 -7.292 -5.781 -3.783 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.710 -4.907 -2.537 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -4.948 -6.638 -2.667 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.130 -6.575 -5.034 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -5.328 -4.500 -6.375 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -6.700 -4.693 -5.258 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -5.396 -3.543 -4.876 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -3.081 -5.311 -5.759 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -3.116 -4.404 -4.229 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.806 -6.156 -4.218 1.00 0.00 H new ATOM 328 N PRO A 20 -8.160 -7.312 -1.975 1.00 0.00 N ATOM 329 CA PRO A 20 -8.731 -8.221 -0.928 1.00 0.00 C ATOM 330 C PRO A 20 -7.903 -9.488 -0.658 1.00 0.00 C ATOM 331 O PRO A 20 -7.874 -9.977 0.476 1.00 0.00 O ATOM 332 CB PRO A 20 -10.085 -8.592 -1.530 1.00 0.00 C ATOM 333 CG PRO A 20 -9.842 -8.638 -3.005 1.00 0.00 C ATOM 334 CD PRO A 20 -8.741 -7.616 -3.302 1.00 0.00 C ATOM 0 HA PRO A 20 -8.766 -7.732 0.045 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -10.435 -9.554 -1.156 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -10.847 -7.855 -1.277 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -9.537 -9.637 -3.316 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -10.752 -8.397 -3.555 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -7.992 -8.024 -3.981 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -9.146 -6.721 -3.774 1.00 0.00 H new ATOM 342 N ASN A 21 -7.269 -10.033 -1.702 1.00 0.00 N ATOM 343 CA ASN A 21 -6.486 -11.273 -1.567 1.00 0.00 C ATOM 344 C ASN A 21 -5.276 -11.106 -0.648 1.00 0.00 C ATOM 345 O ASN A 21 -4.743 -12.108 -0.159 1.00 0.00 O ATOM 346 CB ASN A 21 -6.032 -11.819 -2.941 1.00 0.00 C ATOM 347 CG ASN A 21 -5.990 -10.725 -4.006 1.00 0.00 C ATOM 348 OD1 ASN A 21 -5.473 -9.633 -3.765 1.00 0.00 O ATOM 349 ND2 ASN A 21 -6.508 -10.961 -5.180 1.00 0.00 N ATOM 0 H ASN A 21 -7.280 -9.641 -2.644 1.00 0.00 H new ATOM 0 HA ASN A 21 -7.157 -11.999 -1.108 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -5.044 -12.269 -2.844 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -6.712 -12.609 -3.260 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -6.486 -10.240 -5.902 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -6.935 -11.866 -5.376 1.00 0.00 H new ATOM 356 N LEU A 22 -4.836 -9.864 -0.409 1.00 0.00 N ATOM 357 CA LEU A 22 -3.679 -9.647 0.469 1.00 0.00 C ATOM 358 C LEU A 22 -4.006 -10.105 1.879 1.00 0.00 C ATOM 359 O LEU A 22 -5.051 -9.746 2.425 1.00 0.00 O ATOM 360 CB LEU A 22 -3.269 -8.165 0.548 1.00 0.00 C ATOM 361 CG LEU A 22 -2.991 -7.577 -0.839 1.00 0.00 C ATOM 362 CD1 LEU A 22 -3.153 -6.051 -0.779 1.00 0.00 C ATOM 363 CD2 LEU A 22 -1.554 -7.900 -1.260 1.00 0.00 C ATOM 0 H LEU A 22 -5.249 -9.016 -0.798 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.856 -10.220 0.042 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -4.061 -7.594 1.033 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.379 -8.067 1.170 1.00 0.00 H new ATOM 0 HG LEU A 22 -3.690 -8.005 -1.558 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.957 -5.625 -1.763 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -4.170 -5.805 -0.474 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.448 -5.638 -0.058 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.361 -7.480 -2.247 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.858 -7.469 -0.540 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -1.419 -8.981 -1.293 1.00 0.00 H new ATOM 375 N ASN A 23 -3.097 -10.880 2.467 1.00 0.00 N ATOM 376 CA ASN A 23 -3.291 -11.365 3.842 1.00 0.00 C ATOM 377 C ASN A 23 -3.520 -10.171 4.780 1.00 0.00 C ATOM 378 O ASN A 23 -2.928 -9.103 4.586 1.00 0.00 O ATOM 379 CB ASN A 23 -2.070 -12.163 4.312 1.00 0.00 C ATOM 380 CG ASN A 23 -2.353 -12.788 5.676 1.00 0.00 C ATOM 381 OD1 ASN A 23 -1.995 -12.220 6.709 1.00 0.00 O ATOM 382 ND2 ASN A 23 -2.975 -13.933 5.744 1.00 0.00 N ATOM 0 H ASN A 23 -2.230 -11.185 2.025 1.00 0.00 H new ATOM 0 HA ASN A 23 -4.162 -12.020 3.861 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -1.832 -12.942 3.587 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -1.200 -11.510 4.375 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -3.165 -14.357 6.652 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -3.272 -14.404 4.889 1.00 0.00 H new ATOM 389 N ASN A 24 -4.400 -10.350 5.774 1.00 0.00 N ATOM 390 CA ASN A 24 -4.732 -9.274 6.722 1.00 0.00 C ATOM 391 C ASN A 24 -3.476 -8.629 7.316 1.00 0.00 C ATOM 392 O ASN A 24 -3.427 -7.409 7.495 1.00 0.00 O ATOM 393 CB ASN A 24 -5.608 -9.828 7.855 1.00 0.00 C ATOM 394 CG ASN A 24 -6.961 -10.284 7.306 1.00 0.00 C ATOM 395 OD1 ASN A 24 -7.715 -9.480 6.758 1.00 0.00 O ATOM 396 ND2 ASN A 24 -7.313 -11.535 7.418 1.00 0.00 N ATOM 0 H ASN A 24 -4.894 -11.226 5.944 1.00 0.00 H new ATOM 0 HA ASN A 24 -5.276 -8.507 6.171 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -5.103 -10.665 8.338 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -5.756 -9.062 8.617 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -8.213 -11.846 7.052 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -6.689 -12.202 7.872 1.00 0.00 H new ATOM 403 N GLN A 25 -2.468 -9.452 7.612 1.00 0.00 N ATOM 404 CA GLN A 25 -1.217 -8.943 8.178 1.00 0.00 C ATOM 405 C GLN A 25 -0.470 -8.076 7.159 1.00 0.00 C ATOM 406 O GLN A 25 0.048 -7.012 7.503 1.00 0.00 O ATOM 407 CB GLN A 25 -0.318 -10.114 8.611 1.00 0.00 C ATOM 408 CG GLN A 25 -0.982 -10.890 9.762 1.00 0.00 C ATOM 409 CD GLN A 25 -0.121 -12.086 10.182 1.00 0.00 C ATOM 410 OE1 GLN A 25 0.622 -12.645 9.372 1.00 0.00 O ATOM 411 NE2 GLN A 25 -0.180 -12.516 11.413 1.00 0.00 N ATOM 0 H GLN A 25 -2.492 -10.462 7.471 1.00 0.00 H new ATOM 0 HA GLN A 25 -1.462 -8.331 9.046 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -0.142 -10.780 7.766 1.00 0.00 H new ATOM 0 HB3 GLN A 25 0.655 -9.738 8.928 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -1.132 -10.227 10.614 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -1.967 -11.237 9.451 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -0.794 -12.056 12.085 1.00 0.00 H new ATOM 0 HE22 GLN A 25 0.388 -13.312 11.703 1.00 0.00 H new ATOM 420 N GLN A 26 -0.411 -8.552 5.910 1.00 0.00 N ATOM 421 CA GLN A 26 0.288 -7.834 4.837 1.00 0.00 C ATOM 422 C GLN A 26 -0.344 -6.467 4.559 1.00 0.00 C ATOM 423 O GLN A 26 0.370 -5.502 4.267 1.00 0.00 O ATOM 424 CB GLN A 26 0.283 -8.677 3.554 1.00 0.00 C ATOM 425 CG GLN A 26 1.130 -9.944 3.759 1.00 0.00 C ATOM 426 CD GLN A 26 1.088 -10.815 2.505 1.00 0.00 C ATOM 427 OE1 GLN A 26 2.127 -11.105 1.911 1.00 0.00 O ATOM 428 NE2 GLN A 26 -0.059 -11.246 2.062 1.00 0.00 N ATOM 0 H GLN A 26 -0.838 -9.431 5.617 1.00 0.00 H new ATOM 0 HA GLN A 26 1.314 -7.667 5.166 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -0.739 -8.950 3.292 1.00 0.00 H new ATOM 0 HB3 GLN A 26 0.680 -8.094 2.723 1.00 0.00 H new ATOM 0 HG2 GLN A 26 2.160 -9.669 3.985 1.00 0.00 H new ATOM 0 HG3 GLN A 26 0.755 -10.506 4.614 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -0.919 -11.005 2.555 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -0.097 -11.824 1.223 1.00 0.00 H new ATOM 437 N LYS A 27 -1.678 -6.387 4.646 1.00 0.00 N ATOM 438 CA LYS A 27 -2.382 -5.121 4.393 1.00 0.00 C ATOM 439 C LYS A 27 -1.907 -4.036 5.360 1.00 0.00 C ATOM 440 O LYS A 27 -1.341 -3.021 4.941 1.00 0.00 O ATOM 441 CB LYS A 27 -3.902 -5.303 4.545 1.00 0.00 C ATOM 442 CG LYS A 27 -4.499 -5.954 3.291 1.00 0.00 C ATOM 443 CD LYS A 27 -6.035 -5.823 3.337 1.00 0.00 C ATOM 444 CE LYS A 27 -6.691 -7.206 3.358 1.00 0.00 C ATOM 445 NZ LYS A 27 -6.776 -7.740 1.967 1.00 0.00 N ATOM 0 H LYS A 27 -2.285 -7.171 4.886 1.00 0.00 H new ATOM 0 HA LYS A 27 -2.157 -4.816 3.371 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -4.114 -5.921 5.417 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -4.373 -4.336 4.718 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -4.107 -5.473 2.395 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -4.213 -7.004 3.240 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -6.331 -5.260 4.222 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -6.384 -5.262 2.470 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -6.112 -7.885 3.984 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -7.687 -7.141 3.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -7.650 -8.293 1.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -6.782 -6.949 1.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -5.955 -8.350 1.779 1.00 0.00 H new ATOM 459 N ARG A 28 -2.146 -4.268 6.649 1.00 0.00 N ATOM 460 CA ARG A 28 -1.750 -3.319 7.692 1.00 0.00 C ATOM 461 C ARG A 28 -0.236 -3.100 7.693 1.00 0.00 C ATOM 462 O ARG A 28 0.233 -2.000 7.988 1.00 0.00 O ATOM 463 CB ARG A 28 -2.177 -3.840 9.069 1.00 0.00 C ATOM 464 CG ARG A 28 -3.711 -3.929 9.153 1.00 0.00 C ATOM 465 CD ARG A 28 -4.134 -4.366 10.560 1.00 0.00 C ATOM 466 NE ARG A 28 -5.576 -4.628 10.596 1.00 0.00 N ATOM 467 CZ ARG A 28 -6.198 -5.032 11.706 1.00 0.00 C ATOM 468 NH1 ARG A 28 -5.534 -5.211 12.816 1.00 0.00 N ATOM 469 NH2 ARG A 28 -7.482 -5.251 11.682 1.00 0.00 N ATOM 0 H ARG A 28 -2.612 -5.105 6.998 1.00 0.00 H new ATOM 0 HA ARG A 28 -2.245 -2.371 7.482 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -1.739 -4.822 9.246 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -1.801 -3.178 9.849 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -4.153 -2.962 8.915 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -4.083 -4.640 8.415 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -3.587 -5.263 10.850 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -3.880 -3.590 11.282 1.00 0.00 H new ATOM 0 HE ARG A 28 -6.122 -4.497 9.745 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -4.528 -5.042 12.842 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -6.021 -5.520 13.657 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -8.007 -5.114 10.818 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -7.963 -5.560 12.527 1.00 0.00 H new ATOM 483 N ALA A 29 0.515 -4.162 7.387 1.00 0.00 N ATOM 484 CA ALA A 29 1.980 -4.091 7.379 1.00 0.00 C ATOM 485 C ALA A 29 2.499 -3.074 6.359 1.00 0.00 C ATOM 486 O ALA A 29 3.367 -2.257 6.690 1.00 0.00 O ATOM 487 CB ALA A 29 2.566 -5.471 7.062 1.00 0.00 C ATOM 0 H ALA A 29 0.136 -5.077 7.143 1.00 0.00 H new ATOM 0 HA ALA A 29 2.297 -3.766 8.370 1.00 0.00 H new ATOM 0 HB1 ALA A 29 3.654 -5.412 7.057 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.245 -6.186 7.820 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.216 -5.799 6.083 1.00 0.00 H new ATOM 493 N PHE A 30 1.988 -3.138 5.121 1.00 0.00 N ATOM 494 CA PHE A 30 2.444 -2.218 4.071 1.00 0.00 C ATOM 495 C PHE A 30 2.172 -0.765 4.452 1.00 0.00 C ATOM 496 O PHE A 30 3.108 0.024 4.563 1.00 0.00 O ATOM 497 CB PHE A 30 1.755 -2.536 2.732 1.00 0.00 C ATOM 498 CG PHE A 30 2.519 -3.623 1.984 1.00 0.00 C ATOM 499 CD1 PHE A 30 2.910 -4.809 2.633 1.00 0.00 C ATOM 500 CD2 PHE A 30 2.842 -3.434 0.634 1.00 0.00 C ATOM 501 CE1 PHE A 30 3.619 -5.791 1.929 1.00 0.00 C ATOM 502 CE2 PHE A 30 3.550 -4.417 -0.063 1.00 0.00 C ATOM 503 CZ PHE A 30 3.939 -5.594 0.581 1.00 0.00 C ATOM 0 H PHE A 30 1.273 -3.803 4.826 1.00 0.00 H new ATOM 0 HA PHE A 30 3.520 -2.354 3.962 1.00 0.00 H new ATOM 0 HB2 PHE A 30 0.730 -2.861 2.912 1.00 0.00 H new ATOM 0 HB3 PHE A 30 1.701 -1.635 2.121 1.00 0.00 H new ATOM 0 HD1 PHE A 30 2.664 -4.962 3.673 1.00 0.00 H new ATOM 0 HD2 PHE A 30 2.543 -2.526 0.131 1.00 0.00 H new ATOM 0 HE1 PHE A 30 3.919 -6.701 2.427 1.00 0.00 H new ATOM 0 HE2 PHE A 30 3.797 -4.266 -1.103 1.00 0.00 H new ATOM 0 HZ PHE A 30 4.486 -6.351 0.039 1.00 0.00 H new ATOM 513 N ILE A 31 0.892 -0.419 4.638 1.00 0.00 N ATOM 514 CA ILE A 31 0.506 0.952 4.991 1.00 0.00 C ATOM 515 C ILE A 31 1.244 1.453 6.246 1.00 0.00 C ATOM 516 O ILE A 31 1.653 2.616 6.293 1.00 0.00 O ATOM 517 CB ILE A 31 -1.028 1.048 5.164 1.00 0.00 C ATOM 518 CG1 ILE A 31 -1.697 0.854 3.776 1.00 0.00 C ATOM 519 CG2 ILE A 31 -1.407 2.419 5.752 1.00 0.00 C ATOM 520 CD1 ILE A 31 -3.233 0.973 3.862 1.00 0.00 C ATOM 0 H ILE A 31 0.109 -1.067 4.550 1.00 0.00 H new ATOM 0 HA ILE A 31 0.804 1.605 4.171 1.00 0.00 H new ATOM 0 HB ILE A 31 -1.374 0.274 5.849 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -1.313 1.599 3.079 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -1.429 -0.124 3.376 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -2.489 2.478 5.870 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -0.928 2.543 6.723 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -1.072 3.209 5.079 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -3.665 0.831 2.871 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -3.620 0.211 4.539 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -3.501 1.961 4.237 1.00 0.00 H new ATOM 532 N ARG A 32 1.423 0.583 7.248 1.00 0.00 N ATOM 533 CA ARG A 32 2.133 0.984 8.473 1.00 0.00 C ATOM 534 C ARG A 32 3.575 1.381 8.133 1.00 0.00 C ATOM 535 O ARG A 32 4.042 2.466 8.508 1.00 0.00 O ATOM 536 CB ARG A 32 2.128 -0.170 9.489 1.00 0.00 C ATOM 537 CG ARG A 32 2.779 0.280 10.809 1.00 0.00 C ATOM 538 CD ARG A 32 2.768 -0.877 11.816 1.00 0.00 C ATOM 539 NE ARG A 32 3.285 -0.424 13.111 1.00 0.00 N ATOM 540 CZ ARG A 32 3.364 -1.237 14.167 1.00 0.00 C ATOM 541 NH1 ARG A 32 2.982 -2.483 14.081 1.00 0.00 N ATOM 542 NH2 ARG A 32 3.829 -0.784 15.296 1.00 0.00 N ATOM 0 H ARG A 32 1.095 -0.383 7.239 1.00 0.00 H new ATOM 0 HA ARG A 32 1.624 1.841 8.914 1.00 0.00 H new ATOM 0 HB2 ARG A 32 1.105 -0.498 9.673 1.00 0.00 H new ATOM 0 HB3 ARG A 32 2.668 -1.025 9.082 1.00 0.00 H new ATOM 0 HG2 ARG A 32 3.803 0.606 10.627 1.00 0.00 H new ATOM 0 HG3 ARG A 32 2.240 1.135 11.218 1.00 0.00 H new ATOM 0 HD2 ARG A 32 1.753 -1.257 11.934 1.00 0.00 H new ATOM 0 HD3 ARG A 32 3.375 -1.701 11.441 1.00 0.00 H new ATOM 0 HE ARG A 32 3.594 0.543 13.208 1.00 0.00 H new ATOM 0 HH11 ARG A 32 2.618 -2.845 13.200 1.00 0.00 H new ATOM 0 HH12 ARG A 32 3.048 -3.094 14.895 1.00 0.00 H new ATOM 0 HH21 ARG A 32 4.131 0.188 15.370 1.00 0.00 H new ATOM 0 HH22 ARG A 32 3.892 -1.401 16.106 1.00 0.00 H new ATOM 556 N SER A 33 4.259 0.502 7.395 1.00 0.00 N ATOM 557 CA SER A 33 5.636 0.762 6.972 1.00 0.00 C ATOM 558 C SER A 33 5.674 1.981 6.051 1.00 0.00 C ATOM 559 O SER A 33 6.630 2.762 6.071 1.00 0.00 O ATOM 560 CB SER A 33 6.200 -0.459 6.237 1.00 0.00 C ATOM 561 OG SER A 33 6.053 -1.613 7.056 1.00 0.00 O ATOM 0 H SER A 33 3.883 -0.392 7.080 1.00 0.00 H new ATOM 0 HA SER A 33 6.245 0.958 7.854 1.00 0.00 H new ATOM 0 HB2 SER A 33 5.677 -0.602 5.291 1.00 0.00 H new ATOM 0 HB3 SER A 33 7.252 -0.300 5.999 1.00 0.00 H new ATOM 0 HG SER A 33 5.137 -1.952 6.982 1.00 0.00 H new ATOM 567 N LEU A 34 4.617 2.123 5.248 1.00 0.00 N ATOM 568 CA LEU A 34 4.481 3.230 4.302 1.00 0.00 C ATOM 569 C LEU A 34 4.516 4.561 5.049 1.00 0.00 C ATOM 570 O LEU A 34 5.167 5.514 4.615 1.00 0.00 O ATOM 571 CB LEU A 34 3.139 3.078 3.564 1.00 0.00 C ATOM 572 CG LEU A 34 3.153 3.806 2.211 1.00 0.00 C ATOM 573 CD1 LEU A 34 2.160 3.106 1.262 1.00 0.00 C ATOM 574 CD2 LEU A 34 2.746 5.282 2.402 1.00 0.00 C ATOM 0 H LEU A 34 3.831 1.473 5.236 1.00 0.00 H new ATOM 0 HA LEU A 34 5.304 3.212 3.587 1.00 0.00 H new ATOM 0 HB2 LEU A 34 2.927 2.020 3.407 1.00 0.00 H new ATOM 0 HB3 LEU A 34 2.335 3.475 4.184 1.00 0.00 H new ATOM 0 HG LEU A 34 4.156 3.775 1.786 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.160 3.613 0.297 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.458 2.066 1.126 1.00 0.00 H new ATOM 0 HD13 LEU A 34 1.159 3.143 1.691 1.00 0.00 H new ATOM 0 HD21 LEU A 34 2.759 5.791 1.438 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.743 5.331 2.825 1.00 0.00 H new ATOM 0 HD23 LEU A 34 3.449 5.769 3.078 1.00 0.00 H new ATOM 586 N TYR A 35 3.819 4.599 6.189 1.00 0.00 N ATOM 587 CA TYR A 35 3.774 5.800 7.019 1.00 0.00 C ATOM 588 C TYR A 35 5.175 6.124 7.532 1.00 0.00 C ATOM 589 O TYR A 35 5.610 7.278 7.494 1.00 0.00 O ATOM 590 CB TYR A 35 2.824 5.581 8.205 1.00 0.00 C ATOM 591 CG TYR A 35 2.653 6.875 8.978 1.00 0.00 C ATOM 592 CD1 TYR A 35 1.647 7.783 8.612 1.00 0.00 C ATOM 593 CD2 TYR A 35 3.495 7.167 10.061 1.00 0.00 C ATOM 594 CE1 TYR A 35 1.485 8.976 9.325 1.00 0.00 C ATOM 595 CE2 TYR A 35 3.330 8.362 10.774 1.00 0.00 C ATOM 596 CZ TYR A 35 2.326 9.266 10.406 1.00 0.00 C ATOM 597 OH TYR A 35 2.164 10.442 11.108 1.00 0.00 O ATOM 0 H TYR A 35 3.281 3.813 6.555 1.00 0.00 H new ATOM 0 HA TYR A 35 3.409 6.634 6.420 1.00 0.00 H new ATOM 0 HB2 TYR A 35 1.856 5.231 7.846 1.00 0.00 H new ATOM 0 HB3 TYR A 35 3.220 4.806 8.861 1.00 0.00 H new ATOM 0 HD1 TYR A 35 0.997 7.560 7.779 1.00 0.00 H new ATOM 0 HD2 TYR A 35 4.270 6.471 10.345 1.00 0.00 H new ATOM 0 HE1 TYR A 35 0.711 9.673 9.041 1.00 0.00 H new ATOM 0 HE2 TYR A 35 3.978 8.586 11.608 1.00 0.00 H new ATOM 0 HH TYR A 35 2.828 10.488 11.828 1.00 0.00 H new ATOM 607 N ASP A 36 5.871 5.088 8.012 1.00 0.00 N ATOM 608 CA ASP A 36 7.228 5.253 8.535 1.00 0.00 C ATOM 609 C ASP A 36 8.203 5.695 7.436 1.00 0.00 C ATOM 610 O ASP A 36 9.119 6.479 7.696 1.00 0.00 O ATOM 611 CB ASP A 36 7.712 3.936 9.155 1.00 0.00 C ATOM 612 CG ASP A 36 9.041 4.156 9.882 1.00 0.00 C ATOM 613 OD1 ASP A 36 9.009 4.635 11.004 1.00 0.00 O ATOM 614 OD2 ASP A 36 10.072 3.845 9.306 1.00 0.00 O ATOM 0 H ASP A 36 5.518 4.132 8.049 1.00 0.00 H new ATOM 0 HA ASP A 36 7.201 6.031 9.298 1.00 0.00 H new ATOM 0 HB2 ASP A 36 6.965 3.557 9.852 1.00 0.00 H new ATOM 0 HB3 ASP A 36 7.834 3.182 8.378 1.00 0.00 H new ATOM 619 N ASP A 37 8.005 5.170 6.216 1.00 0.00 N ATOM 620 CA ASP A 37 8.880 5.494 5.076 1.00 0.00 C ATOM 621 C ASP A 37 8.068 5.693 3.777 1.00 0.00 C ATOM 622 O ASP A 37 7.974 4.772 2.953 1.00 0.00 O ATOM 623 CB ASP A 37 9.906 4.359 4.880 1.00 0.00 C ATOM 624 CG ASP A 37 10.854 4.262 6.077 1.00 0.00 C ATOM 625 OD1 ASP A 37 11.449 5.269 6.434 1.00 0.00 O ATOM 626 OD2 ASP A 37 10.990 3.174 6.602 1.00 0.00 O ATOM 0 H ASP A 37 7.250 4.522 5.993 1.00 0.00 H new ATOM 0 HA ASP A 37 9.394 6.430 5.296 1.00 0.00 H new ATOM 0 HB2 ASP A 37 9.384 3.411 4.748 1.00 0.00 H new ATOM 0 HB3 ASP A 37 10.480 4.536 3.971 1.00 0.00 H new ATOM 631 N PRO A 38 7.492 6.869 3.564 1.00 0.00 N ATOM 632 CA PRO A 38 6.693 7.165 2.324 1.00 0.00 C ATOM 633 C PRO A 38 7.536 7.035 1.055 1.00 0.00 C ATOM 634 O PRO A 38 6.996 6.932 -0.049 1.00 0.00 O ATOM 635 CB PRO A 38 6.218 8.612 2.519 1.00 0.00 C ATOM 636 CG PRO A 38 7.140 9.194 3.534 1.00 0.00 C ATOM 637 CD PRO A 38 7.528 8.044 4.457 1.00 0.00 C ATOM 0 HA PRO A 38 5.870 6.462 2.195 1.00 0.00 H new ATOM 0 HB2 PRO A 38 6.260 9.170 1.583 1.00 0.00 H new ATOM 0 HB3 PRO A 38 5.184 8.644 2.862 1.00 0.00 H new ATOM 0 HG2 PRO A 38 8.020 9.627 3.059 1.00 0.00 H new ATOM 0 HG3 PRO A 38 6.652 9.994 4.091 1.00 0.00 H new ATOM 0 HD2 PRO A 38 8.518 8.191 4.890 1.00 0.00 H new ATOM 0 HD3 PRO A 38 6.829 7.941 5.287 1.00 0.00 H new ATOM 645 N SER A 39 8.860 7.049 1.229 1.00 0.00 N ATOM 646 CA SER A 39 9.791 6.939 0.105 1.00 0.00 C ATOM 647 C SER A 39 9.547 5.658 -0.695 1.00 0.00 C ATOM 648 O SER A 39 9.732 5.643 -1.915 1.00 0.00 O ATOM 649 CB SER A 39 11.234 6.953 0.620 1.00 0.00 C ATOM 650 OG SER A 39 11.446 8.125 1.398 1.00 0.00 O ATOM 0 H SER A 39 9.311 7.136 2.140 1.00 0.00 H new ATOM 0 HA SER A 39 9.625 7.792 -0.553 1.00 0.00 H new ATOM 0 HB2 SER A 39 11.426 6.064 1.221 1.00 0.00 H new ATOM 0 HB3 SER A 39 11.931 6.928 -0.218 1.00 0.00 H new ATOM 0 HG SER A 39 12.368 8.135 1.730 1.00 0.00 H new ATOM 656 N GLN A 40 9.141 4.585 -0.001 1.00 0.00 N ATOM 657 CA GLN A 40 8.888 3.302 -0.655 1.00 0.00 C ATOM 658 C GLN A 40 7.425 3.169 -1.083 1.00 0.00 C ATOM 659 O GLN A 40 7.054 2.150 -1.650 1.00 0.00 O ATOM 660 CB GLN A 40 9.234 2.149 0.300 1.00 0.00 C ATOM 661 CG GLN A 40 10.684 2.283 0.771 1.00 0.00 C ATOM 662 CD GLN A 40 11.093 1.064 1.593 1.00 0.00 C ATOM 663 OE1 GLN A 40 10.412 0.699 2.553 1.00 0.00 O ATOM 664 NE2 GLN A 40 12.172 0.410 1.274 1.00 0.00 N ATOM 0 H GLN A 40 8.983 4.584 1.007 1.00 0.00 H new ATOM 0 HA GLN A 40 9.517 3.257 -1.544 1.00 0.00 H new ATOM 0 HB2 GLN A 40 8.561 2.160 1.157 1.00 0.00 H new ATOM 0 HB3 GLN A 40 9.093 1.193 -0.204 1.00 0.00 H new ATOM 0 HG2 GLN A 40 11.344 2.387 -0.090 1.00 0.00 H new ATOM 0 HG3 GLN A 40 10.796 3.187 1.369 1.00 0.00 H new ATOM 0 HE21 GLN A 40 12.735 0.712 0.479 1.00 0.00 H new ATOM 0 HE22 GLN A 40 12.454 -0.405 1.819 1.00 0.00 H new ATOM 673 N SER A 41 6.598 4.191 -0.806 1.00 0.00 N ATOM 674 CA SER A 41 5.165 4.143 -1.158 1.00 0.00 C ATOM 675 C SER A 41 4.953 3.641 -2.590 1.00 0.00 C ATOM 676 O SER A 41 4.013 2.885 -2.852 1.00 0.00 O ATOM 677 CB SER A 41 4.531 5.529 -0.995 1.00 0.00 C ATOM 678 OG SER A 41 3.127 5.442 -1.221 1.00 0.00 O ATOM 0 H SER A 41 6.891 5.052 -0.345 1.00 0.00 H new ATOM 0 HA SER A 41 4.682 3.441 -0.478 1.00 0.00 H new ATOM 0 HB2 SER A 41 4.725 5.913 0.006 1.00 0.00 H new ATOM 0 HB3 SER A 41 4.980 6.230 -1.698 1.00 0.00 H new ATOM 0 HG SER A 41 2.723 6.329 -1.115 1.00 0.00 H new ATOM 684 N ALA A 42 5.842 4.045 -3.498 1.00 0.00 N ATOM 685 CA ALA A 42 5.754 3.607 -4.889 1.00 0.00 C ATOM 686 C ALA A 42 6.075 2.112 -4.986 1.00 0.00 C ATOM 687 O ALA A 42 5.366 1.354 -5.658 1.00 0.00 O ATOM 688 CB ALA A 42 6.737 4.406 -5.754 1.00 0.00 C ATOM 0 H ALA A 42 6.624 4.669 -3.297 1.00 0.00 H new ATOM 0 HA ALA A 42 4.740 3.780 -5.251 1.00 0.00 H new ATOM 0 HB1 ALA A 42 6.665 4.073 -6.789 1.00 0.00 H new ATOM 0 HB2 ALA A 42 6.493 5.467 -5.696 1.00 0.00 H new ATOM 0 HB3 ALA A 42 7.753 4.247 -5.392 1.00 0.00 H new ATOM 694 N ASN A 43 7.147 1.702 -4.298 1.00 0.00 N ATOM 695 CA ASN A 43 7.575 0.301 -4.292 1.00 0.00 C ATOM 696 C ASN A 43 6.550 -0.583 -3.583 1.00 0.00 C ATOM 697 O ASN A 43 6.187 -1.639 -4.092 1.00 0.00 O ATOM 698 CB ASN A 43 8.925 0.156 -3.571 1.00 0.00 C ATOM 699 CG ASN A 43 10.024 0.972 -4.255 1.00 0.00 C ATOM 700 OD1 ASN A 43 9.863 1.438 -5.384 1.00 0.00 O ATOM 701 ND2 ASN A 43 11.147 1.163 -3.623 1.00 0.00 N ATOM 0 H ASN A 43 7.733 2.322 -3.739 1.00 0.00 H new ATOM 0 HA ASN A 43 7.670 -0.016 -5.331 1.00 0.00 H new ATOM 0 HB2 ASN A 43 8.821 0.481 -2.536 1.00 0.00 H new ATOM 0 HB3 ASN A 43 9.214 -0.895 -3.547 1.00 0.00 H new ATOM 0 HD21 ASN A 43 11.895 1.699 -4.063 1.00 0.00 H new ATOM 0 HD22 ASN A 43 11.278 0.776 -2.688 1.00 0.00 H new ATOM 708 N LEU A 44 6.102 -0.145 -2.400 1.00 0.00 N ATOM 709 CA LEU A 44 5.131 -0.906 -1.611 1.00 0.00 C ATOM 710 C LEU A 44 3.846 -1.134 -2.407 1.00 0.00 C ATOM 711 O LEU A 44 3.276 -2.221 -2.363 1.00 0.00 O ATOM 712 CB LEU A 44 4.788 -0.160 -0.317 1.00 0.00 C ATOM 713 CG LEU A 44 6.040 0.098 0.563 1.00 0.00 C ATOM 714 CD1 LEU A 44 5.610 0.762 1.877 1.00 0.00 C ATOM 715 CD2 LEU A 44 6.766 -1.217 0.885 1.00 0.00 C ATOM 0 H LEU A 44 6.397 0.732 -1.970 1.00 0.00 H new ATOM 0 HA LEU A 44 5.582 -1.869 -1.369 1.00 0.00 H new ATOM 0 HB2 LEU A 44 4.317 0.792 -0.563 1.00 0.00 H new ATOM 0 HB3 LEU A 44 4.060 -0.739 0.251 1.00 0.00 H new ATOM 0 HG LEU A 44 6.719 0.749 0.012 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.488 0.944 2.497 1.00 0.00 H new ATOM 0 HD12 LEU A 44 5.115 1.709 1.661 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.921 0.105 2.408 1.00 0.00 H new ATOM 0 HD21 LEU A 44 7.640 -1.009 1.503 1.00 0.00 H new ATOM 0 HD22 LEU A 44 6.091 -1.883 1.423 1.00 0.00 H new ATOM 0 HD23 LEU A 44 7.083 -1.694 -0.042 1.00 0.00 H new ATOM 727 N LEU A 45 3.406 -0.104 -3.144 1.00 0.00 N ATOM 728 CA LEU A 45 2.194 -0.212 -3.970 1.00 0.00 C ATOM 729 C LEU A 45 2.384 -1.307 -5.020 1.00 0.00 C ATOM 730 O LEU A 45 1.537 -2.192 -5.179 1.00 0.00 O ATOM 731 CB LEU A 45 1.912 1.147 -4.641 1.00 0.00 C ATOM 732 CG LEU A 45 0.934 1.009 -5.833 1.00 0.00 C ATOM 733 CD1 LEU A 45 -0.415 0.432 -5.369 1.00 0.00 C ATOM 734 CD2 LEU A 45 0.705 2.388 -6.467 1.00 0.00 C ATOM 0 H LEU A 45 3.866 0.805 -3.186 1.00 0.00 H new ATOM 0 HA LEU A 45 1.341 -0.478 -3.346 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.494 1.835 -3.906 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.849 1.582 -4.988 1.00 0.00 H new ATOM 0 HG LEU A 45 1.371 0.329 -6.564 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.086 0.344 -6.223 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.257 -0.552 -4.928 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.858 1.095 -4.626 1.00 0.00 H new ATOM 0 HD21 LEU A 45 0.017 2.293 -7.307 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.281 3.064 -5.725 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.655 2.788 -6.821 1.00 0.00 H new ATOM 746 N ALA A 46 3.519 -1.239 -5.710 1.00 0.00 N ATOM 747 CA ALA A 46 3.852 -2.235 -6.734 1.00 0.00 C ATOM 748 C ALA A 46 3.980 -3.616 -6.088 1.00 0.00 C ATOM 749 O ALA A 46 3.472 -4.615 -6.607 1.00 0.00 O ATOM 750 CB ALA A 46 5.171 -1.861 -7.417 1.00 0.00 C ATOM 0 H ALA A 46 4.222 -0.511 -5.583 1.00 0.00 H new ATOM 0 HA ALA A 46 3.058 -2.258 -7.480 1.00 0.00 H new ATOM 0 HB1 ALA A 46 5.412 -2.605 -8.176 1.00 0.00 H new ATOM 0 HB2 ALA A 46 5.073 -0.882 -7.887 1.00 0.00 H new ATOM 0 HB3 ALA A 46 5.969 -1.829 -6.675 1.00 0.00 H new ATOM 756 N GLU A 47 4.655 -3.645 -4.937 1.00 0.00 N ATOM 757 CA GLU A 47 4.859 -4.878 -4.179 1.00 0.00 C ATOM 758 C GLU A 47 3.518 -5.471 -3.742 1.00 0.00 C ATOM 759 O GLU A 47 3.337 -6.693 -3.756 1.00 0.00 O ATOM 760 CB GLU A 47 5.724 -4.577 -2.943 1.00 0.00 C ATOM 761 CG GLU A 47 7.203 -4.432 -3.348 1.00 0.00 C ATOM 762 CD GLU A 47 7.773 -5.778 -3.815 1.00 0.00 C ATOM 763 OE1 GLU A 47 7.778 -6.709 -3.023 1.00 0.00 O ATOM 764 OE2 GLU A 47 8.209 -5.859 -4.953 1.00 0.00 O ATOM 0 H GLU A 47 5.073 -2.819 -4.508 1.00 0.00 H new ATOM 0 HA GLU A 47 5.365 -5.604 -4.815 1.00 0.00 H new ATOM 0 HB2 GLU A 47 5.380 -3.660 -2.464 1.00 0.00 H new ATOM 0 HB3 GLU A 47 5.617 -5.378 -2.212 1.00 0.00 H new ATOM 0 HG2 GLU A 47 7.296 -3.696 -4.146 1.00 0.00 H new ATOM 0 HG3 GLU A 47 7.782 -4.060 -2.502 1.00 0.00 H new ATOM 771 N ALA A 48 2.579 -4.599 -3.366 1.00 0.00 N ATOM 772 CA ALA A 48 1.253 -5.043 -2.940 1.00 0.00 C ATOM 773 C ALA A 48 0.551 -5.735 -4.100 1.00 0.00 C ATOM 774 O ALA A 48 -0.106 -6.763 -3.919 1.00 0.00 O ATOM 775 CB ALA A 48 0.419 -3.850 -2.464 1.00 0.00 C ATOM 0 H ALA A 48 2.713 -3.588 -3.348 1.00 0.00 H new ATOM 0 HA ALA A 48 1.363 -5.743 -2.112 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.566 -4.197 -2.150 1.00 0.00 H new ATOM 0 HB2 ALA A 48 0.919 -3.369 -1.624 1.00 0.00 H new ATOM 0 HB3 ALA A 48 0.309 -3.135 -3.279 1.00 0.00 H new ATOM 781 N LYS A 49 0.721 -5.170 -5.297 1.00 0.00 N ATOM 782 CA LYS A 49 0.125 -5.743 -6.496 1.00 0.00 C ATOM 783 C LYS A 49 0.743 -7.118 -6.756 1.00 0.00 C ATOM 784 O LYS A 49 0.053 -8.049 -7.179 1.00 0.00 O ATOM 785 CB LYS A 49 0.365 -4.824 -7.702 1.00 0.00 C ATOM 786 CG LYS A 49 -0.823 -4.918 -8.671 1.00 0.00 C ATOM 787 CD LYS A 49 -0.406 -4.411 -10.060 1.00 0.00 C ATOM 788 CE LYS A 49 -1.600 -3.746 -10.757 1.00 0.00 C ATOM 789 NZ LYS A 49 -1.234 -3.419 -12.165 1.00 0.00 N ATOM 0 H LYS A 49 1.264 -4.321 -5.457 1.00 0.00 H new ATOM 0 HA LYS A 49 -0.950 -5.846 -6.349 1.00 0.00 H new ATOM 0 HB2 LYS A 49 0.492 -3.795 -7.367 1.00 0.00 H new ATOM 0 HB3 LYS A 49 1.285 -5.110 -8.211 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -1.167 -5.950 -8.739 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -1.658 -4.328 -8.294 1.00 0.00 H new ATOM 0 HD2 LYS A 49 0.413 -3.698 -9.965 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -0.038 -5.241 -10.664 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -2.462 -4.412 -10.739 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -1.887 -2.839 -10.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -2.043 -2.968 -12.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -0.423 -2.768 -12.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -0.981 -4.292 -12.670 1.00 0.00 H new ATOM 803 N LYS A 50 2.053 -7.226 -6.487 1.00 0.00 N ATOM 804 CA LYS A 50 2.781 -8.480 -6.672 1.00 0.00 C ATOM 805 C LYS A 50 2.178 -9.564 -5.782 1.00 0.00 C ATOM 806 O LYS A 50 1.953 -10.693 -6.230 1.00 0.00 O ATOM 807 CB LYS A 50 4.259 -8.267 -6.317 1.00 0.00 C ATOM 808 CG LYS A 50 5.094 -9.471 -6.779 1.00 0.00 C ATOM 809 CD LYS A 50 6.590 -9.156 -6.618 1.00 0.00 C ATOM 810 CE LYS A 50 7.002 -9.253 -5.142 1.00 0.00 C ATOM 811 NZ LYS A 50 8.403 -8.765 -4.987 1.00 0.00 N ATOM 0 H LYS A 50 2.626 -6.456 -6.141 1.00 0.00 H new ATOM 0 HA LYS A 50 2.704 -8.797 -7.712 1.00 0.00 H new ATOM 0 HB2 LYS A 50 4.627 -7.357 -6.791 1.00 0.00 H new ATOM 0 HB3 LYS A 50 4.366 -8.132 -5.241 1.00 0.00 H new ATOM 0 HG2 LYS A 50 4.833 -10.353 -6.194 1.00 0.00 H new ATOM 0 HG3 LYS A 50 4.871 -9.702 -7.821 1.00 0.00 H new ATOM 0 HD2 LYS A 50 7.181 -9.852 -7.213 1.00 0.00 H new ATOM 0 HD3 LYS A 50 6.800 -8.155 -6.996 1.00 0.00 H new ATOM 0 HE2 LYS A 50 6.328 -8.659 -4.525 1.00 0.00 H new ATOM 0 HE3 LYS A 50 6.924 -10.284 -4.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 8.708 -8.893 -4.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 9.030 -9.305 -5.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 8.449 -7.756 -5.236 1.00 0.00 H new ATOM 825 N LEU A 51 1.896 -9.197 -4.525 1.00 0.00 N ATOM 826 CA LEU A 51 1.288 -10.127 -3.572 1.00 0.00 C ATOM 827 C LEU A 51 -0.091 -10.547 -4.078 1.00 0.00 C ATOM 828 O LEU A 51 -0.433 -11.732 -4.057 1.00 0.00 O ATOM 829 CB LEU A 51 1.166 -9.454 -2.191 1.00 0.00 C ATOM 830 CG LEU A 51 2.554 -9.320 -1.536 1.00 0.00 C ATOM 831 CD1 LEU A 51 2.433 -8.505 -0.241 1.00 0.00 C ATOM 832 CD2 LEU A 51 3.120 -10.715 -1.210 1.00 0.00 C ATOM 0 H LEU A 51 2.079 -8.267 -4.148 1.00 0.00 H new ATOM 0 HA LEU A 51 1.917 -11.012 -3.476 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.710 -8.470 -2.298 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.509 -10.041 -1.550 1.00 0.00 H new ATOM 0 HG LEU A 51 3.226 -8.813 -2.228 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.415 -8.410 0.222 1.00 0.00 H new ATOM 0 HD12 LEU A 51 2.043 -7.513 -0.470 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.755 -9.012 0.446 1.00 0.00 H new ATOM 0 HD21 LEU A 51 4.101 -10.610 -0.747 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.448 -11.229 -0.523 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.212 -11.294 -2.129 1.00 0.00 H new ATOM 844 N ASN A 52 -0.865 -9.565 -4.553 1.00 0.00 N ATOM 845 CA ASN A 52 -2.204 -9.821 -5.089 1.00 0.00 C ATOM 846 C ASN A 52 -2.129 -10.789 -6.272 1.00 0.00 C ATOM 847 O ASN A 52 -2.888 -11.761 -6.336 1.00 0.00 O ATOM 848 CB ASN A 52 -2.841 -8.477 -5.511 1.00 0.00 C ATOM 849 CG ASN A 52 -3.857 -8.647 -6.649 1.00 0.00 C ATOM 850 OD1 ASN A 52 -3.480 -8.659 -7.822 1.00 0.00 O ATOM 851 ND2 ASN A 52 -5.122 -8.771 -6.373 1.00 0.00 N ATOM 0 H ASN A 52 -0.585 -8.584 -4.577 1.00 0.00 H new ATOM 0 HA ASN A 52 -2.825 -10.285 -4.323 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -3.335 -8.025 -4.651 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -2.057 -7.789 -5.827 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -5.800 -8.878 -7.127 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -5.436 -8.761 -5.402 1.00 0.00 H new ATOM 858 N ASP A 53 -1.213 -10.507 -7.201 1.00 0.00 N ATOM 859 CA ASP A 53 -1.040 -11.349 -8.385 1.00 0.00 C ATOM 860 C ASP A 53 -0.640 -12.768 -7.994 1.00 0.00 C ATOM 861 O ASP A 53 -1.067 -13.736 -8.630 1.00 0.00 O ATOM 862 CB ASP A 53 0.039 -10.746 -9.294 1.00 0.00 C ATOM 863 CG ASP A 53 0.125 -11.522 -10.613 1.00 0.00 C ATOM 864 OD1 ASP A 53 -0.661 -11.231 -11.502 1.00 0.00 O ATOM 865 OD2 ASP A 53 0.972 -12.395 -10.713 1.00 0.00 O ATOM 0 H ASP A 53 -0.583 -9.706 -7.156 1.00 0.00 H new ATOM 0 HA ASP A 53 -1.991 -11.392 -8.916 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -0.190 -9.699 -9.495 1.00 0.00 H new ATOM 0 HB3 ASP A 53 1.004 -10.770 -8.788 1.00 0.00 H new ATOM 870 N ALA A 54 0.200 -12.879 -6.964 1.00 0.00 N ATOM 871 CA ALA A 54 0.679 -14.180 -6.513 1.00 0.00 C ATOM 872 C ALA A 54 -0.408 -14.963 -5.760 1.00 0.00 C ATOM 873 O ALA A 54 -0.662 -16.131 -6.067 1.00 0.00 O ATOM 874 CB ALA A 54 1.902 -13.995 -5.607 1.00 0.00 C ATOM 0 H ALA A 54 0.559 -12.087 -6.431 1.00 0.00 H new ATOM 0 HA ALA A 54 0.952 -14.757 -7.397 1.00 0.00 H new ATOM 0 HB1 ALA A 54 2.257 -14.969 -5.272 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.693 -13.492 -6.162 1.00 0.00 H new ATOM 0 HB3 ALA A 54 1.626 -13.392 -4.742 1.00 0.00 H new ATOM 880 N GLN A 55 -1.031 -14.314 -4.768 1.00 0.00 N ATOM 881 CA GLN A 55 -2.079 -14.953 -3.958 1.00 0.00 C ATOM 882 C GLN A 55 -3.321 -15.287 -4.791 1.00 0.00 C ATOM 883 O GLN A 55 -4.063 -16.211 -4.450 1.00 0.00 O ATOM 884 CB GLN A 55 -2.471 -14.045 -2.780 1.00 0.00 C ATOM 885 CG GLN A 55 -1.286 -13.886 -1.818 1.00 0.00 C ATOM 886 CD GLN A 55 -1.471 -12.619 -0.992 1.00 0.00 C ATOM 887 OE1 GLN A 55 -1.492 -12.666 0.236 1.00 0.00 O ATOM 888 NE2 GLN A 55 -1.614 -11.479 -1.611 1.00 0.00 N ATOM 0 H GLN A 55 -0.829 -13.349 -4.507 1.00 0.00 H new ATOM 0 HA GLN A 55 -1.670 -15.889 -3.577 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -2.781 -13.068 -3.151 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -3.324 -14.470 -2.251 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -1.217 -14.754 -1.162 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -0.353 -13.835 -2.379 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -1.596 -11.446 -2.630 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -1.744 -10.621 -1.075 1.00 0.00 H new ATOM 897 N ALA A 56 -3.550 -14.519 -5.869 1.00 0.00 N ATOM 898 CA ALA A 56 -4.720 -14.727 -6.742 1.00 0.00 C ATOM 899 C ALA A 56 -4.821 -16.186 -7.227 1.00 0.00 C ATOM 900 O ALA A 56 -3.806 -16.877 -7.346 1.00 0.00 O ATOM 901 CB ALA A 56 -4.636 -13.792 -7.956 1.00 0.00 C ATOM 0 H ALA A 56 -2.944 -13.751 -6.157 1.00 0.00 H new ATOM 0 HA ALA A 56 -5.612 -14.503 -6.157 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -5.503 -13.950 -8.598 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -4.619 -12.756 -7.617 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -3.726 -14.005 -8.517 1.00 0.00 H new ATOM 907 N PRO A 57 -6.024 -16.661 -7.506 1.00 0.00 N ATOM 908 CA PRO A 57 -6.251 -18.062 -7.980 1.00 0.00 C ATOM 909 C PRO A 57 -5.527 -18.350 -9.298 1.00 0.00 C ATOM 910 O PRO A 57 -4.999 -17.438 -9.937 1.00 0.00 O ATOM 911 CB PRO A 57 -7.776 -18.174 -8.141 1.00 0.00 C ATOM 912 CG PRO A 57 -8.289 -16.771 -8.182 1.00 0.00 C ATOM 913 CD PRO A 57 -7.295 -15.917 -7.404 1.00 0.00 C ATOM 0 HA PRO A 57 -5.853 -18.794 -7.277 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -8.034 -18.711 -9.054 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -8.217 -18.727 -7.311 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -8.377 -16.421 -9.211 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -9.283 -16.709 -7.738 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -7.208 -14.918 -7.831 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -7.603 -15.794 -6.366 1.00 0.00 H new ATOM 921 N LYS A 58 -5.522 -19.637 -9.674 1.00 0.00 N ATOM 922 CA LYS A 58 -4.879 -20.123 -10.912 1.00 0.00 C ATOM 923 C LYS A 58 -3.352 -20.134 -10.764 1.00 0.00 C ATOM 924 O LYS A 58 -2.789 -19.086 -10.488 1.00 0.00 O ATOM 925 CB LYS A 58 -5.274 -19.273 -12.140 1.00 0.00 C ATOM 926 CG LYS A 58 -6.805 -19.178 -12.252 1.00 0.00 C ATOM 927 CD LYS A 58 -7.187 -18.416 -13.529 1.00 0.00 C ATOM 928 CE LYS A 58 -8.679 -18.065 -13.497 1.00 0.00 C ATOM 929 NZ LYS A 58 -9.104 -17.576 -14.839 1.00 0.00 N ATOM 930 OXT LYS A 58 -2.765 -21.193 -10.928 1.00 0.00 O ATOM 0 H LYS A 58 -5.965 -20.376 -9.128 1.00 0.00 H new ATOM 0 HA LYS A 58 -5.234 -21.141 -11.075 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -4.846 -18.274 -12.053 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -4.863 -19.718 -13.046 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -7.240 -20.177 -12.270 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -7.212 -18.669 -11.378 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -6.592 -17.507 -13.613 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -6.966 -19.024 -14.406 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -9.263 -18.941 -13.216 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -8.867 -17.300 -12.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -10.116 -17.338 -14.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -8.555 -16.729 -15.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -8.938 -18.319 -15.548 1.00 0.00 H new