USER MOD reduce.3.24.130724 H: found=0, std=0, add=456, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 459 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 62 SER OG : rot 180:sc= 0.36 USER MOD Set 1.2: A 66 LYS NZ :NH3+ 171:sc= 0.378 (180deg=0) USER MOD Set 2.1: A 26 GLN : amide:sc= 1.45 K(o=2.1,f=-2.9) USER MOD Set 2.2: A 50 LYS NZ :NH3+ -169:sc= 0.698 (180deg=-0.103) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= 0.907 K(o=0.91,f=0) USER MOD Single : A 24 GLN : amide:sc= -0.0415 X(o=-0.041,f=-0.041) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 91:sc= 1.26 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 171:sc= 0.418 (180deg=0.371) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc=-0.00546 K(o=-0.0055,f=-0.85) USER MOD Single : A 49 SER OG : rot 75:sc= 0.875 USER MOD Single : A 52 SER OG : rot 86:sc= 0.00515 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 180:sc= -0.196 USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=-0.0022) USER MOD Single : A 61 GLN : amide:sc= 0.164 K(o=0.16,f=-4.1!) USER MOD Single : A 63 ASN : amide:sc=-0.00597 K(o=-0.006,f=-0.71) USER MOD Single : A 64 THR OG1 : rot -56:sc= 0.126 USER MOD ----------------------------------------------------------------- ATOM 58 N TRP A 5 7.259 10.238 -3.689 1.00 10.00 N ATOM 59 CA TRP A 5 6.007 10.682 -4.319 1.00 10.00 C ATOM 60 C TRP A 5 5.781 12.199 -4.333 1.00 10.00 C ATOM 61 O TRP A 5 5.040 12.665 -5.194 1.00 10.00 O ATOM 62 CB TRP A 5 4.822 9.875 -3.748 1.00 10.00 C ATOM 63 CG TRP A 5 3.812 9.322 -4.721 1.00 10.00 C ATOM 64 CD1 TRP A 5 4.010 9.047 -6.034 1.00 10.00 C ATOM 65 CD2 TRP A 5 2.438 8.899 -4.442 1.00 10.00 C ATOM 66 NE1 TRP A 5 2.855 8.535 -6.589 1.00 10.00 N ATOM 67 CE2 TRP A 5 1.849 8.427 -5.656 1.00 10.00 C ATOM 68 CE3 TRP A 5 1.625 8.867 -3.286 1.00 10.00 C ATOM 69 CZ2 TRP A 5 0.524 7.969 -5.725 1.00 10.00 C ATOM 70 CZ3 TRP A 5 0.293 8.410 -3.344 1.00 10.00 C ATOM 71 CH2 TRP A 5 -0.259 7.965 -4.559 1.00 10.00 C ATOM 0 HA TRP A 5 6.093 10.461 -5.383 1.00 10.00 H new ATOM 0 HB2 TRP A 5 5.230 9.040 -3.178 1.00 10.00 H new ATOM 0 HB3 TRP A 5 4.291 10.514 -3.042 1.00 10.00 H new ATOM 0 HD1 TRP A 5 4.936 9.205 -6.567 1.00 10.00 H new ATOM 0 HE1 TRP A 5 2.759 8.270 -7.569 1.00 10.00 H new ATOM 0 HE3 TRP A 5 2.032 9.198 -2.342 1.00 10.00 H new ATOM 0 HZ2 TRP A 5 0.112 7.624 -6.662 1.00 10.00 H new ATOM 0 HZ3 TRP A 5 -0.309 8.401 -2.448 1.00 10.00 H new ATOM 0 HH2 TRP A 5 -1.282 7.621 -4.595 1.00 10.00 H new ATOM 82 N SER A 6 6.477 13.009 -3.522 1.00 10.00 N ATOM 83 CA SER A 6 6.407 14.484 -3.616 1.00 10.00 C ATOM 84 C SER A 6 6.775 15.028 -5.013 1.00 10.00 C ATOM 85 O SER A 6 6.243 16.049 -5.454 1.00 10.00 O ATOM 86 CB SER A 6 7.286 15.114 -2.529 1.00 10.00 C ATOM 87 OG SER A 6 7.174 16.527 -2.519 1.00 10.00 O ATOM 0 H SER A 6 7.099 12.670 -2.788 1.00 10.00 H new ATOM 0 HA SER A 6 5.367 14.767 -3.455 1.00 10.00 H new ATOM 0 HB2 SER A 6 6.999 14.719 -1.554 1.00 10.00 H new ATOM 0 HB3 SER A 6 8.326 14.832 -2.693 1.00 10.00 H new ATOM 0 HG SER A 6 7.746 16.895 -1.814 1.00 10.00 H new ATOM 93 N GLY A 7 7.601 14.295 -5.770 1.00 10.00 N ATOM 94 CA GLY A 7 7.951 14.599 -7.166 1.00 10.00 C ATOM 95 C GLY A 7 6.859 14.322 -8.220 1.00 10.00 C ATOM 96 O GLY A 7 7.117 14.518 -9.410 1.00 10.00 O ATOM 0 H GLY A 7 8.057 13.452 -5.421 1.00 10.00 H new ATOM 0 HA2 GLY A 7 8.227 15.652 -7.228 1.00 10.00 H new ATOM 0 HA3 GLY A 7 8.836 14.021 -7.430 1.00 10.00 H new ATOM 100 N TYR A 8 5.661 13.865 -7.826 1.00 10.00 N ATOM 101 CA TYR A 8 4.549 13.528 -8.720 1.00 10.00 C ATOM 102 C TYR A 8 3.159 13.779 -8.109 1.00 10.00 C ATOM 103 O TYR A 8 2.336 14.501 -8.675 1.00 10.00 O ATOM 104 CB TYR A 8 4.691 12.053 -9.137 1.00 10.00 C ATOM 105 CG TYR A 8 3.580 11.549 -10.041 1.00 10.00 C ATOM 106 CD1 TYR A 8 3.639 11.786 -11.429 1.00 10.00 C ATOM 107 CD2 TYR A 8 2.481 10.856 -9.493 1.00 10.00 C ATOM 108 CE1 TYR A 8 2.604 11.329 -12.269 1.00 10.00 C ATOM 109 CE2 TYR A 8 1.447 10.396 -10.330 1.00 10.00 C ATOM 110 CZ TYR A 8 1.505 10.631 -11.721 1.00 10.00 C ATOM 111 OH TYR A 8 0.499 10.184 -12.523 1.00 10.00 O ATOM 0 H TYR A 8 5.435 13.716 -6.843 1.00 10.00 H new ATOM 0 HA TYR A 8 4.611 14.191 -9.583 1.00 10.00 H new ATOM 0 HB2 TYR A 8 5.646 11.922 -9.647 1.00 10.00 H new ATOM 0 HB3 TYR A 8 4.721 11.435 -8.239 1.00 10.00 H new ATOM 0 HD1 TYR A 8 4.479 12.319 -11.850 1.00 10.00 H new ATOM 0 HD2 TYR A 8 2.433 10.678 -8.429 1.00 10.00 H new ATOM 0 HE1 TYR A 8 2.651 11.512 -13.332 1.00 10.00 H new ATOM 0 HE2 TYR A 8 0.608 9.863 -9.908 1.00 10.00 H new ATOM 0 HH TYR A 8 -0.174 9.725 -11.978 1.00 10.00 H new ATOM 121 N LEU A 9 2.911 13.211 -6.926 1.00 10.00 N ATOM 122 CA LEU A 9 1.658 13.294 -6.169 1.00 10.00 C ATOM 123 C LEU A 9 1.252 14.738 -5.863 1.00 10.00 C ATOM 124 O LEU A 9 0.069 15.074 -5.907 1.00 10.00 O ATOM 125 CB LEU A 9 1.856 12.448 -4.896 1.00 10.00 C ATOM 126 CG LEU A 9 0.744 12.375 -3.841 1.00 10.00 C ATOM 127 CD1 LEU A 9 0.683 13.627 -2.964 1.00 10.00 C ATOM 128 CD2 LEU A 9 -0.614 12.015 -4.438 1.00 10.00 C ATOM 0 H LEU A 9 3.615 12.652 -6.445 1.00 10.00 H new ATOM 0 HA LEU A 9 0.828 12.904 -6.758 1.00 10.00 H new ATOM 0 HB2 LEU A 9 2.067 11.427 -5.215 1.00 10.00 H new ATOM 0 HB3 LEU A 9 2.752 12.818 -4.397 1.00 10.00 H new ATOM 0 HG LEU A 9 1.012 11.551 -3.180 1.00 10.00 H new ATOM 0 HD11 LEU A 9 -0.121 13.522 -2.235 1.00 10.00 H new ATOM 0 HD12 LEU A 9 1.632 13.752 -2.442 1.00 10.00 H new ATOM 0 HD13 LEU A 9 0.495 14.500 -3.589 1.00 10.00 H new ATOM 0 HD21 LEU A 9 -1.362 11.978 -3.646 1.00 10.00 H new ATOM 0 HD22 LEU A 9 -0.900 12.769 -5.172 1.00 10.00 H new ATOM 0 HD23 LEU A 9 -0.551 11.041 -4.924 1.00 10.00 H new ATOM 140 N ASP A 10 2.226 15.611 -5.609 1.00 10.00 N ATOM 141 CA ASP A 10 2.015 17.017 -5.239 1.00 10.00 C ATOM 142 C ASP A 10 1.417 17.897 -6.372 1.00 10.00 C ATOM 143 O ASP A 10 1.227 19.099 -6.192 1.00 10.00 O ATOM 144 CB ASP A 10 3.350 17.581 -4.724 1.00 10.00 C ATOM 145 CG ASP A 10 3.199 18.914 -3.967 1.00 10.00 C ATOM 146 OD1 ASP A 10 2.443 18.961 -2.966 1.00 10.00 O ATOM 147 OD2 ASP A 10 3.879 19.905 -4.332 1.00 10.00 O ATOM 0 H ASP A 10 3.213 15.356 -5.655 1.00 10.00 H new ATOM 0 HA ASP A 10 1.256 17.046 -4.457 1.00 10.00 H new ATOM 0 HB2 ASP A 10 3.816 16.848 -4.065 1.00 10.00 H new ATOM 0 HB3 ASP A 10 4.025 17.725 -5.568 1.00 10.00 H new ATOM 152 N ASP A 11 1.085 17.310 -7.528 1.00 10.00 N ATOM 153 CA ASP A 11 0.339 17.933 -8.638 1.00 10.00 C ATOM 154 C ASP A 11 -0.902 17.105 -9.068 1.00 10.00 C ATOM 155 O ASP A 11 -1.609 17.459 -10.011 1.00 10.00 O ATOM 156 CB ASP A 11 1.322 18.173 -9.798 1.00 10.00 C ATOM 157 CG ASP A 11 0.744 19.061 -10.916 1.00 10.00 C ATOM 158 OD1 ASP A 11 0.323 20.208 -10.629 1.00 10.00 O ATOM 159 OD2 ASP A 11 0.768 18.640 -12.100 1.00 10.00 O ATOM 0 H ASP A 11 1.339 16.343 -7.728 1.00 10.00 H new ATOM 0 HA ASP A 11 -0.072 18.886 -8.306 1.00 10.00 H new ATOM 0 HB2 ASP A 11 2.227 18.637 -9.407 1.00 10.00 H new ATOM 0 HB3 ASP A 11 1.614 17.212 -10.222 1.00 10.00 H new ATOM 164 N VAL A 12 -1.200 16.021 -8.340 1.00 10.00 N ATOM 165 CA VAL A 12 -2.304 15.074 -8.536 1.00 10.00 C ATOM 166 C VAL A 12 -3.284 15.096 -7.367 1.00 10.00 C ATOM 167 O VAL A 12 -4.497 15.091 -7.573 1.00 10.00 O ATOM 168 CB VAL A 12 -1.724 13.652 -8.708 1.00 10.00 C ATOM 169 CG1 VAL A 12 -2.775 12.540 -8.612 1.00 10.00 C ATOM 170 CG2 VAL A 12 -0.970 13.544 -10.035 1.00 10.00 C ATOM 0 H VAL A 12 -0.629 15.764 -7.535 1.00 10.00 H new ATOM 0 HA VAL A 12 -2.854 15.369 -9.430 1.00 10.00 H new ATOM 0 HB VAL A 12 -1.040 13.502 -7.873 1.00 10.00 H new ATOM 0 HG11 VAL A 12 -2.293 11.571 -8.743 1.00 10.00 H new ATOM 0 HG12 VAL A 12 -3.256 12.577 -7.634 1.00 10.00 H new ATOM 0 HG13 VAL A 12 -3.525 12.680 -9.391 1.00 10.00 H new ATOM 0 HG21 VAL A 12 -0.567 12.537 -10.143 1.00 10.00 H new ATOM 0 HG22 VAL A 12 -1.652 13.752 -10.859 1.00 10.00 H new ATOM 0 HG23 VAL A 12 -0.153 14.266 -10.049 1.00 10.00 H new ATOM 180 N SER A 13 -2.771 15.162 -6.141 1.00 10.00 N ATOM 181 CA SER A 13 -3.549 15.402 -4.933 1.00 10.00 C ATOM 182 C SER A 13 -3.844 16.891 -4.758 1.00 10.00 C ATOM 183 O SER A 13 -4.983 17.291 -4.517 1.00 10.00 O ATOM 184 CB SER A 13 -2.790 14.840 -3.734 1.00 10.00 C ATOM 185 OG SER A 13 -3.531 15.015 -2.538 1.00 10.00 O ATOM 0 H SER A 13 -1.774 15.046 -5.958 1.00 10.00 H new ATOM 0 HA SER A 13 -4.511 14.895 -5.014 1.00 10.00 H new ATOM 0 HB2 SER A 13 -2.589 13.780 -3.890 1.00 10.00 H new ATOM 0 HB3 SER A 13 -1.824 15.338 -3.644 1.00 10.00 H new ATOM 0 HG SER A 13 -3.026 14.646 -1.783 1.00 10.00 H new ATOM 191 N ALA A 14 -2.837 17.742 -4.989 1.00 10.00 N ATOM 192 CA ALA A 14 -3.003 19.188 -4.895 1.00 10.00 C ATOM 193 C ALA A 14 -3.965 19.772 -5.955 1.00 10.00 C ATOM 194 O ALA A 14 -4.545 20.838 -5.747 1.00 10.00 O ATOM 195 CB ALA A 14 -1.653 19.890 -4.922 1.00 10.00 C ATOM 0 H ALA A 14 -1.895 17.446 -5.244 1.00 10.00 H new ATOM 0 HA ALA A 14 -3.478 19.379 -3.933 1.00 10.00 H new ATOM 0 HB1 ALA A 14 -1.802 20.967 -4.851 1.00 10.00 H new ATOM 0 HB2 ALA A 14 -1.049 19.550 -4.080 1.00 10.00 H new ATOM 0 HB3 ALA A 14 -1.140 19.656 -5.854 1.00 10.00 H new ATOM 201 N LYS A 15 -4.170 19.046 -7.067 1.00 10.00 N ATOM 202 CA LYS A 15 -5.196 19.293 -8.093 1.00 10.00 C ATOM 203 C LYS A 15 -6.572 19.491 -7.453 1.00 10.00 C ATOM 204 O LYS A 15 -7.257 20.477 -7.724 1.00 10.00 O ATOM 205 CB LYS A 15 -5.178 18.102 -9.067 1.00 10.00 C ATOM 206 CG LYS A 15 -6.291 18.107 -10.125 1.00 10.00 C ATOM 207 CD LYS A 15 -6.121 16.975 -11.152 1.00 10.00 C ATOM 208 CE LYS A 15 -6.288 15.592 -10.506 1.00 10.00 C ATOM 209 NZ LYS A 15 -6.172 14.501 -11.509 1.00 10.00 N ATOM 0 H LYS A 15 -3.596 18.231 -7.285 1.00 10.00 H new ATOM 0 HA LYS A 15 -4.981 20.212 -8.638 1.00 10.00 H new ATOM 0 HB2 LYS A 15 -4.214 18.084 -9.576 1.00 10.00 H new ATOM 0 HB3 LYS A 15 -5.251 17.180 -8.490 1.00 10.00 H new ATOM 0 HG2 LYS A 15 -7.258 18.007 -9.633 1.00 10.00 H new ATOM 0 HG3 LYS A 15 -6.294 19.067 -10.642 1.00 10.00 H new ATOM 0 HD2 LYS A 15 -6.854 17.095 -11.950 1.00 10.00 H new ATOM 0 HD3 LYS A 15 -5.135 17.045 -11.611 1.00 10.00 H new ATOM 0 HE2 LYS A 15 -5.532 15.458 -9.733 1.00 10.00 H new ATOM 0 HE3 LYS A 15 -7.260 15.534 -10.015 1.00 10.00 H new ATOM 0 HZ1 LYS A 15 -6.290 13.582 -11.037 1.00 10.00 H new ATOM 0 HZ2 LYS A 15 -6.909 14.616 -12.233 1.00 10.00 H new ATOM 0 HZ3 LYS A 15 -5.235 14.541 -11.959 1.00 10.00 H new ATOM 223 N PHE A 16 -6.928 18.575 -6.552 1.00 10.00 N ATOM 224 CA PHE A 16 -8.085 18.689 -5.680 1.00 10.00 C ATOM 225 C PHE A 16 -7.918 19.844 -4.685 1.00 10.00 C ATOM 226 O PHE A 16 -8.771 20.724 -4.623 1.00 10.00 O ATOM 227 CB PHE A 16 -8.370 17.339 -4.988 1.00 10.00 C ATOM 228 CG PHE A 16 -8.712 17.415 -3.510 1.00 10.00 C ATOM 229 CD1 PHE A 16 -9.963 17.916 -3.100 1.00 10.00 C ATOM 230 CD2 PHE A 16 -7.753 17.058 -2.540 1.00 10.00 C ATOM 231 CE1 PHE A 16 -10.244 18.071 -1.731 1.00 10.00 C ATOM 232 CE2 PHE A 16 -8.042 17.201 -1.172 1.00 10.00 C ATOM 233 CZ PHE A 16 -9.287 17.711 -0.767 1.00 10.00 C ATOM 0 H PHE A 16 -6.402 17.713 -6.409 1.00 10.00 H new ATOM 0 HA PHE A 16 -8.960 18.932 -6.284 1.00 10.00 H new ATOM 0 HB2 PHE A 16 -9.195 16.852 -5.508 1.00 10.00 H new ATOM 0 HB3 PHE A 16 -7.496 16.699 -5.107 1.00 10.00 H new ATOM 0 HD1 PHE A 16 -10.706 18.181 -3.837 1.00 10.00 H new ATOM 0 HD2 PHE A 16 -6.793 16.673 -2.849 1.00 10.00 H new ATOM 0 HE1 PHE A 16 -11.199 18.468 -1.419 1.00 10.00 H new ATOM 0 HE2 PHE A 16 -7.307 16.919 -0.432 1.00 10.00 H new ATOM 0 HZ PHE A 16 -9.508 17.826 0.284 1.00 10.00 H new ATOM 243 N ASP A 17 -6.812 19.881 -3.937 1.00 10.00 N ATOM 244 CA ASP A 17 -6.645 20.801 -2.806 1.00 10.00 C ATOM 245 C ASP A 17 -6.704 22.302 -3.151 1.00 10.00 C ATOM 246 O ASP A 17 -7.085 23.107 -2.301 1.00 10.00 O ATOM 247 CB ASP A 17 -5.351 20.459 -2.057 1.00 10.00 C ATOM 248 CG ASP A 17 -5.259 21.163 -0.690 1.00 10.00 C ATOM 249 OD1 ASP A 17 -6.036 20.810 0.230 1.00 10.00 O ATOM 250 OD2 ASP A 17 -4.377 22.038 -0.518 1.00 10.00 O ATOM 0 H ASP A 17 -6.007 19.275 -4.097 1.00 10.00 H new ATOM 0 HA ASP A 17 -7.516 20.645 -2.169 1.00 10.00 H new ATOM 0 HB2 ASP A 17 -5.293 19.380 -1.912 1.00 10.00 H new ATOM 0 HB3 ASP A 17 -4.495 20.745 -2.668 1.00 10.00 H new ATOM 255 N THR A 18 -6.391 22.690 -4.392 1.00 10.00 N ATOM 256 CA THR A 18 -6.522 24.066 -4.879 1.00 10.00 C ATOM 257 C THR A 18 -7.843 24.331 -5.617 1.00 10.00 C ATOM 258 O THR A 18 -8.427 25.409 -5.483 1.00 10.00 O ATOM 259 CB THR A 18 -5.290 24.466 -5.705 1.00 10.00 C ATOM 260 OG1 THR A 18 -5.156 25.872 -5.755 1.00 10.00 O ATOM 261 CG2 THR A 18 -5.338 23.968 -7.146 1.00 10.00 C ATOM 0 H THR A 18 -6.034 22.045 -5.097 1.00 10.00 H new ATOM 0 HA THR A 18 -6.562 24.713 -4.003 1.00 10.00 H new ATOM 0 HB THR A 18 -4.445 23.999 -5.199 1.00 10.00 H new ATOM 0 HG1 THR A 18 -4.365 26.107 -6.284 1.00 10.00 H new ATOM 0 HG21 THR A 18 -4.437 24.286 -7.671 1.00 10.00 H new ATOM 0 HG22 THR A 18 -5.397 22.880 -7.153 1.00 10.00 H new ATOM 0 HG23 THR A 18 -6.214 24.382 -7.645 1.00 10.00 H new ATOM 269 N GLY A 19 -8.384 23.340 -6.336 1.00 10.00 N ATOM 270 CA GLY A 19 -9.691 23.452 -6.999 1.00 10.00 C ATOM 271 C GLY A 19 -10.838 23.512 -5.988 1.00 10.00 C ATOM 272 O GLY A 19 -11.711 24.375 -6.094 1.00 10.00 O ATOM 0 H GLY A 19 -7.929 22.438 -6.475 1.00 10.00 H new ATOM 0 HA2 GLY A 19 -9.708 24.347 -7.621 1.00 10.00 H new ATOM 0 HA3 GLY A 19 -9.836 22.600 -7.663 1.00 10.00 H new ATOM 292 N ASP A 21 -10.382 24.640 -2.997 1.00 10.00 N ATOM 293 CA ASP A 21 -10.149 25.903 -2.331 1.00 10.00 C ATOM 294 C ASP A 21 -10.690 27.109 -3.097 1.00 10.00 C ATOM 295 O ASP A 21 -11.047 28.092 -2.462 1.00 10.00 O ATOM 296 CB ASP A 21 -8.679 25.997 -1.944 1.00 10.00 C ATOM 297 CG ASP A 21 -8.245 27.390 -1.460 1.00 10.00 C ATOM 298 OD1 ASP A 21 -8.470 27.710 -0.268 1.00 10.00 O ATOM 299 OD2 ASP A 21 -7.648 28.152 -2.257 1.00 10.00 O ATOM 0 HA ASP A 21 -10.734 25.931 -1.412 1.00 10.00 H new ATOM 0 HB2 ASP A 21 -8.474 25.271 -1.157 1.00 10.00 H new ATOM 0 HB3 ASP A 21 -8.070 25.717 -2.803 1.00 10.00 H new ATOM 304 N ASN A 22 -10.868 27.038 -4.418 1.00 10.00 N ATOM 305 CA ASN A 22 -11.603 28.071 -5.143 1.00 10.00 C ATOM 306 C ASN A 22 -13.099 28.042 -4.805 1.00 10.00 C ATOM 307 O ASN A 22 -13.787 29.059 -4.924 1.00 10.00 O ATOM 308 CB ASN A 22 -11.505 27.857 -6.655 1.00 10.00 C ATOM 309 CG ASN A 22 -10.202 28.337 -7.278 1.00 10.00 C ATOM 310 OD1 ASN A 22 -10.162 29.350 -7.963 1.00 10.00 O ATOM 311 ND2 ASN A 22 -9.092 27.663 -7.078 1.00 10.00 N ATOM 0 H ASN A 22 -10.515 26.280 -5.002 1.00 10.00 H new ATOM 0 HA ASN A 22 -11.156 29.020 -4.846 1.00 10.00 H new ATOM 0 HB2 ASN A 22 -11.625 26.795 -6.867 1.00 10.00 H new ATOM 0 HB3 ASN A 22 -12.335 28.374 -7.137 1.00 10.00 H new ATOM 0 HD21 ASN A 22 -8.217 27.987 -7.491 1.00 10.00 H new ATOM 0 HD22 ASN A 22 -9.105 26.816 -6.510 1.00 10.00 H new ATOM 318 N LEU A 23 -13.615 26.873 -4.421 1.00 10.00 N ATOM 319 CA LEU A 23 -14.943 26.738 -3.873 1.00 10.00 C ATOM 320 C LEU A 23 -14.998 27.111 -2.388 1.00 10.00 C ATOM 321 O LEU A 23 -15.834 27.912 -1.993 1.00 10.00 O ATOM 322 CB LEU A 23 -15.546 25.376 -4.241 1.00 10.00 C ATOM 323 CG LEU A 23 -16.919 25.561 -4.923 1.00 10.00 C ATOM 324 CD1 LEU A 23 -17.886 26.324 -4.036 1.00 10.00 C ATOM 325 CD2 LEU A 23 -17.070 26.232 -6.285 1.00 10.00 C ATOM 0 H LEU A 23 -13.108 25.991 -4.487 1.00 10.00 H new ATOM 0 HA LEU A 23 -15.599 27.473 -4.340 1.00 10.00 H new ATOM 0 HB2 LEU A 23 -14.871 24.841 -4.908 1.00 10.00 H new ATOM 0 HB3 LEU A 23 -15.658 24.766 -3.344 1.00 10.00 H new ATOM 0 HG LEU A 23 -17.116 24.503 -5.095 1.00 10.00 H new ATOM 0 HD11 LEU A 23 -18.841 26.435 -4.550 1.00 10.00 H new ATOM 0 HD12 LEU A 23 -18.036 25.776 -3.105 1.00 10.00 H new ATOM 0 HD13 LEU A 23 -17.477 27.310 -3.815 1.00 10.00 H new ATOM 0 HD21 LEU A 23 -18.123 26.252 -6.566 1.00 10.00 H new ATOM 0 HD22 LEU A 23 -16.689 27.252 -6.232 1.00 10.00 H new ATOM 0 HD23 LEU A 23 -16.506 25.672 -7.031 1.00 10.00 H new ATOM 337 N GLN A 24 -14.045 26.632 -1.590 1.00 10.00 N ATOM 338 CA GLN A 24 -13.865 26.933 -0.176 1.00 10.00 C ATOM 339 C GLN A 24 -13.725 28.429 0.077 1.00 10.00 C ATOM 340 O GLN A 24 -14.389 28.944 0.961 1.00 10.00 O ATOM 341 CB GLN A 24 -12.611 26.228 0.351 1.00 10.00 C ATOM 342 CG GLN A 24 -12.564 26.104 1.868 1.00 10.00 C ATOM 343 CD GLN A 24 -13.600 25.138 2.444 1.00 10.00 C ATOM 344 OE1 GLN A 24 -13.666 23.966 2.098 1.00 10.00 O ATOM 345 NE2 GLN A 24 -14.448 25.591 3.344 1.00 10.00 N ATOM 0 H GLN A 24 -13.337 25.985 -1.937 1.00 10.00 H new ATOM 0 HA GLN A 24 -14.754 26.577 0.344 1.00 10.00 H new ATOM 0 HB2 GLN A 24 -12.555 25.231 -0.087 1.00 10.00 H new ATOM 0 HB3 GLN A 24 -11.730 26.774 0.013 1.00 10.00 H new ATOM 0 HG2 GLN A 24 -11.569 25.773 2.165 1.00 10.00 H new ATOM 0 HG3 GLN A 24 -12.717 27.089 2.308 1.00 10.00 H new ATOM 0 HE21 GLN A 24 -14.404 26.566 3.641 1.00 10.00 H new ATOM 0 HE22 GLN A 24 -15.149 24.967 3.744 1.00 10.00 H new ATOM 354 N THR A 25 -12.894 29.141 -0.687 1.00 10.00 N ATOM 355 CA THR A 25 -12.709 30.589 -0.582 1.00 10.00 C ATOM 356 C THR A 25 -14.043 31.295 -0.771 1.00 10.00 C ATOM 357 O THR A 25 -14.473 32.081 0.064 1.00 10.00 O ATOM 358 CB THR A 25 -11.615 31.066 -1.554 1.00 10.00 C ATOM 359 OG1 THR A 25 -11.166 32.351 -1.179 1.00 10.00 O ATOM 360 CG2 THR A 25 -11.980 31.098 -3.034 1.00 10.00 C ATOM 0 H THR A 25 -12.317 28.716 -1.413 1.00 10.00 H new ATOM 0 HA THR A 25 -12.356 30.849 0.416 1.00 10.00 H new ATOM 0 HB THR A 25 -10.840 30.305 -1.464 1.00 10.00 H new ATOM 0 HG1 THR A 25 -10.469 32.648 -1.800 1.00 10.00 H new ATOM 0 HG21 THR A 25 -11.126 31.451 -3.612 1.00 10.00 H new ATOM 0 HG22 THR A 25 -12.251 30.095 -3.364 1.00 10.00 H new ATOM 0 HG23 THR A 25 -12.824 31.771 -3.186 1.00 10.00 H new ATOM 368 N GLN A 26 -14.781 30.873 -1.791 1.00 10.00 N ATOM 369 CA GLN A 26 -16.142 31.300 -2.082 1.00 10.00 C ATOM 370 C GLN A 26 -17.144 31.030 -0.950 1.00 10.00 C ATOM 371 O GLN A 26 -17.841 31.956 -0.527 1.00 10.00 O ATOM 372 CB GLN A 26 -16.576 30.631 -3.401 1.00 10.00 C ATOM 373 CG GLN A 26 -16.674 31.644 -4.545 1.00 10.00 C ATOM 374 CD GLN A 26 -16.959 30.969 -5.883 1.00 10.00 C ATOM 375 OE1 GLN A 26 -18.029 31.117 -6.460 1.00 10.00 O ATOM 376 NE2 GLN A 26 -16.050 30.177 -6.410 1.00 10.00 N ATOM 0 H GLN A 26 -14.431 30.194 -2.467 1.00 10.00 H new ATOM 0 HA GLN A 26 -16.143 32.386 -2.180 1.00 10.00 H new ATOM 0 HB2 GLN A 26 -15.862 29.851 -3.666 1.00 10.00 H new ATOM 0 HB3 GLN A 26 -17.542 30.145 -3.262 1.00 10.00 H new ATOM 0 HG2 GLN A 26 -17.464 32.363 -4.326 1.00 10.00 H new ATOM 0 HG3 GLN A 26 -15.742 32.205 -4.613 1.00 10.00 H new ATOM 0 HE21 GLN A 26 -15.154 30.045 -5.940 1.00 10.00 H new ATOM 0 HE22 GLN A 26 -16.241 29.695 -7.289 1.00 10.00 H new ATOM 385 N VAL A 27 -17.222 29.802 -0.422 1.00 10.00 N ATOM 386 CA VAL A 27 -18.110 29.498 0.704 1.00 10.00 C ATOM 387 C VAL A 27 -17.686 30.272 1.942 1.00 10.00 C ATOM 388 O VAL A 27 -18.511 30.775 2.690 1.00 10.00 O ATOM 389 CB VAL A 27 -18.249 28.003 1.067 1.00 10.00 C ATOM 390 CG1 VAL A 27 -18.168 27.065 -0.135 1.00 10.00 C ATOM 391 CG2 VAL A 27 -17.306 27.419 2.121 1.00 10.00 C ATOM 0 H VAL A 27 -16.681 29.005 -0.757 1.00 10.00 H new ATOM 0 HA VAL A 27 -19.095 29.809 0.356 1.00 10.00 H new ATOM 0 HB VAL A 27 -19.246 28.040 1.505 1.00 10.00 H new ATOM 0 HG11 VAL A 27 -18.274 26.033 0.201 1.00 10.00 H new ATOM 0 HG12 VAL A 27 -18.968 27.302 -0.836 1.00 10.00 H new ATOM 0 HG13 VAL A 27 -17.204 27.189 -0.629 1.00 10.00 H new ATOM 0 HG21 VAL A 27 -17.529 26.362 2.263 1.00 10.00 H new ATOM 0 HG22 VAL A 27 -16.274 27.530 1.788 1.00 10.00 H new ATOM 0 HG23 VAL A 27 -17.442 27.949 3.064 1.00 10.00 H new ATOM 401 N THR A 28 -16.382 30.402 2.160 1.00 10.00 N ATOM 402 CA THR A 28 -15.831 31.113 3.299 1.00 10.00 C ATOM 403 C THR A 28 -16.089 32.599 3.199 1.00 10.00 C ATOM 404 O THR A 28 -16.166 33.273 4.211 1.00 10.00 O ATOM 405 CB THR A 28 -14.328 30.943 3.438 1.00 10.00 C ATOM 406 OG1 THR A 28 -13.950 29.584 3.474 1.00 10.00 O ATOM 407 CG2 THR A 28 -13.852 31.558 4.739 1.00 10.00 C ATOM 0 H THR A 28 -15.672 30.010 1.541 1.00 10.00 H new ATOM 0 HA THR A 28 -16.331 30.679 4.164 1.00 10.00 H new ATOM 0 HB THR A 28 -13.882 31.430 2.571 1.00 10.00 H new ATOM 0 HG1 THR A 28 -13.769 29.271 2.563 1.00 10.00 H new ATOM 0 HG21 THR A 28 -12.773 31.430 4.828 1.00 10.00 H new ATOM 0 HG22 THR A 28 -14.094 32.621 4.749 1.00 10.00 H new ATOM 0 HG23 THR A 28 -14.346 31.066 5.576 1.00 10.00 H new ATOM 415 N GLU A 29 -16.230 33.153 2.006 1.00 10.00 N ATOM 416 CA GLU A 29 -16.589 34.545 1.872 1.00 10.00 C ATOM 417 C GLU A 29 -18.101 34.752 2.093 1.00 10.00 C ATOM 418 O GLU A 29 -18.510 35.786 2.610 1.00 10.00 O ATOM 419 CB GLU A 29 -16.075 35.106 0.568 1.00 10.00 C ATOM 420 CG GLU A 29 -14.553 35.295 0.616 1.00 10.00 C ATOM 421 CD GLU A 29 -14.023 36.001 -0.647 1.00 10.00 C ATOM 422 OE1 GLU A 29 -14.191 35.470 -1.773 1.00 10.00 O ATOM 423 OE2 GLU A 29 -13.439 37.105 -0.526 1.00 10.00 O ATOM 0 H GLU A 29 -16.101 32.658 1.123 1.00 10.00 H new ATOM 0 HA GLU A 29 -16.099 35.119 2.658 1.00 10.00 H new ATOM 0 HB2 GLU A 29 -16.337 34.434 -0.250 1.00 10.00 H new ATOM 0 HB3 GLU A 29 -16.558 36.061 0.363 1.00 10.00 H new ATOM 0 HG2 GLU A 29 -14.287 35.879 1.497 1.00 10.00 H new ATOM 0 HG3 GLU A 29 -14.069 34.324 0.719 1.00 10.00 H new ATOM 430 N ALA A 30 -18.951 33.769 1.767 1.00 10.00 N ATOM 431 CA ALA A 30 -20.356 33.762 2.178 1.00 10.00 C ATOM 432 C ALA A 30 -20.432 33.682 3.710 1.00 10.00 C ATOM 433 O ALA A 30 -21.201 34.387 4.360 1.00 10.00 O ATOM 434 CB ALA A 30 -21.070 32.563 1.540 1.00 10.00 C ATOM 0 H ALA A 30 -18.681 32.958 1.211 1.00 10.00 H new ATOM 0 HA ALA A 30 -20.847 34.677 1.846 1.00 10.00 H new ATOM 0 HB1 ALA A 30 -22.116 32.558 1.846 1.00 10.00 H new ATOM 0 HB2 ALA A 30 -21.010 32.639 0.454 1.00 10.00 H new ATOM 0 HB3 ALA A 30 -20.592 31.639 1.866 1.00 10.00 H new ATOM 440 N LEU A 31 -19.554 32.870 4.292 1.00 10.00 N ATOM 441 CA LEU A 31 -19.303 32.775 5.711 1.00 10.00 C ATOM 442 C LEU A 31 -18.661 34.033 6.309 1.00 10.00 C ATOM 443 O LEU A 31 -18.935 34.346 7.452 1.00 10.00 O ATOM 444 CB LEU A 31 -18.402 31.574 5.947 1.00 10.00 C ATOM 445 CG LEU A 31 -18.276 31.211 7.422 1.00 10.00 C ATOM 446 CD1 LEU A 31 -19.495 30.409 7.863 1.00 10.00 C ATOM 447 CD2 LEU A 31 -16.972 30.448 7.570 1.00 10.00 C ATOM 0 H LEU A 31 -18.972 32.231 3.750 1.00 10.00 H new ATOM 0 HA LEU A 31 -20.264 32.665 6.213 1.00 10.00 H new ATOM 0 HB2 LEU A 31 -18.795 30.718 5.399 1.00 10.00 H new ATOM 0 HB3 LEU A 31 -17.412 31.784 5.543 1.00 10.00 H new ATOM 0 HG LEU A 31 -18.250 32.089 8.067 1.00 10.00 H new ATOM 0 HD11 LEU A 31 -19.399 30.152 8.918 1.00 10.00 H new ATOM 0 HD12 LEU A 31 -20.396 31.005 7.715 1.00 10.00 H new ATOM 0 HD13 LEU A 31 -19.563 29.496 7.272 1.00 10.00 H new ATOM 0 HD21 LEU A 31 -16.833 30.163 8.613 1.00 10.00 H new ATOM 0 HD22 LEU A 31 -17.002 29.552 6.950 1.00 10.00 H new ATOM 0 HD23 LEU A 31 -16.143 31.080 7.253 1.00 10.00 H new ATOM 459 N ASP A 32 -17.848 34.793 5.582 1.00 10.00 N ATOM 460 CA ASP A 32 -17.320 36.079 6.030 1.00 10.00 C ATOM 461 C ASP A 32 -18.485 37.040 6.310 1.00 10.00 C ATOM 462 O ASP A 32 -18.433 37.838 7.249 1.00 10.00 O ATOM 463 CB ASP A 32 -16.307 36.616 4.999 1.00 10.00 C ATOM 464 CG ASP A 32 -15.872 38.059 5.297 1.00 10.00 C ATOM 465 OD1 ASP A 32 -15.047 38.265 6.220 1.00 10.00 O ATOM 466 OD2 ASP A 32 -16.339 38.984 4.591 1.00 10.00 O ATOM 0 H ASP A 32 -17.532 34.529 4.649 1.00 10.00 H new ATOM 0 HA ASP A 32 -16.773 35.969 6.966 1.00 10.00 H new ATOM 0 HB2 ASP A 32 -15.429 35.970 4.987 1.00 10.00 H new ATOM 0 HB3 ASP A 32 -16.749 36.571 4.003 1.00 10.00 H new ATOM 471 N LYS A 33 -19.588 36.883 5.561 1.00 10.00 N ATOM 472 CA LYS A 33 -20.853 37.532 5.826 1.00 10.00 C ATOM 473 C LYS A 33 -21.577 36.863 6.991 1.00 10.00 C ATOM 474 O LYS A 33 -22.206 37.522 7.808 1.00 10.00 O ATOM 475 CB LYS A 33 -21.760 37.589 4.602 1.00 10.00 C ATOM 476 CG LYS A 33 -21.172 37.679 3.190 1.00 10.00 C ATOM 477 CD LYS A 33 -19.936 38.565 3.003 1.00 10.00 C ATOM 478 CE LYS A 33 -19.606 38.688 1.519 1.00 10.00 C ATOM 479 NZ LYS A 33 -18.381 39.504 1.310 1.00 10.00 N ATOM 0 H LYS A 33 -19.611 36.283 4.736 1.00 10.00 H new ATOM 0 HA LYS A 33 -20.617 38.561 6.096 1.00 10.00 H new ATOM 0 HB2 LYS A 33 -22.390 36.700 4.630 1.00 10.00 H new ATOM 0 HB3 LYS A 33 -22.416 38.450 4.730 1.00 10.00 H new ATOM 0 HG2 LYS A 33 -20.917 36.670 2.865 1.00 10.00 H new ATOM 0 HG3 LYS A 33 -21.952 38.042 2.521 1.00 10.00 H new ATOM 0 HD2 LYS A 33 -20.118 39.552 3.427 1.00 10.00 H new ATOM 0 HD3 LYS A 33 -19.088 38.139 3.539 1.00 10.00 H new ATOM 0 HE2 LYS A 33 -19.463 37.696 1.091 1.00 10.00 H new ATOM 0 HE3 LYS A 33 -20.445 39.144 0.993 1.00 10.00 H new ATOM 0 HZ1 LYS A 33 -18.179 39.572 0.292 1.00 10.00 H new ATOM 0 HZ2 LYS A 33 -18.529 40.457 1.698 1.00 10.00 H new ATOM 0 HZ3 LYS A 33 -17.578 39.054 1.793 1.00 10.00 H new ATOM 493 N LEU A 34 -21.575 35.535 7.058 1.00 10.00 N ATOM 494 CA LEU A 34 -22.387 34.792 8.026 1.00 10.00 C ATOM 495 C LEU A 34 -21.835 34.962 9.435 1.00 10.00 C ATOM 496 O LEU A 34 -22.565 35.235 10.371 1.00 10.00 O ATOM 497 CB LEU A 34 -22.500 33.337 7.557 1.00 10.00 C ATOM 498 CG LEU A 34 -23.894 32.700 7.689 1.00 10.00 C ATOM 499 CD1 LEU A 34 -24.082 31.712 6.570 1.00 10.00 C ATOM 500 CD2 LEU A 34 -24.215 31.818 8.869 1.00 10.00 C ATOM 0 H LEU A 34 -21.014 34.942 6.447 1.00 10.00 H new ATOM 0 HA LEU A 34 -23.401 35.190 8.075 1.00 10.00 H new ATOM 0 HB2 LEU A 34 -22.195 33.287 6.512 1.00 10.00 H new ATOM 0 HB3 LEU A 34 -21.791 32.735 8.125 1.00 10.00 H new ATOM 0 HG LEU A 34 -24.510 33.598 7.740 1.00 10.00 H new ATOM 0 HD11 LEU A 34 -25.067 31.253 6.652 1.00 10.00 H new ATOM 0 HD12 LEU A 34 -24.000 32.227 5.613 1.00 10.00 H new ATOM 0 HD13 LEU A 34 -23.315 30.940 6.634 1.00 10.00 H new ATOM 0 HD21 LEU A 34 -25.242 31.462 8.789 1.00 10.00 H new ATOM 0 HD22 LEU A 34 -23.536 30.966 8.882 1.00 10.00 H new ATOM 0 HD23 LEU A 34 -24.099 32.388 9.791 1.00 10.00 H new ATOM 512 N ALA A 35 -20.520 34.954 9.561 1.00 10.00 N ATOM 513 CA ALA A 35 -19.787 35.318 10.753 1.00 10.00 C ATOM 514 C ALA A 35 -20.120 36.781 11.199 1.00 10.00 C ATOM 515 O ALA A 35 -19.944 37.119 12.372 1.00 10.00 O ATOM 516 CB ALA A 35 -18.303 35.043 10.431 1.00 10.00 C ATOM 0 H ALA A 35 -19.907 34.679 8.794 1.00 10.00 H new ATOM 0 HA ALA A 35 -20.069 34.729 11.626 1.00 10.00 H new ATOM 0 HB1 ALA A 35 -17.690 35.298 11.295 1.00 10.00 H new ATOM 0 HB2 ALA A 35 -18.172 33.988 10.192 1.00 10.00 H new ATOM 0 HB3 ALA A 35 -17.998 35.649 9.578 1.00 10.00 H new ATOM 522 N ALA A 36 -20.631 37.638 10.288 1.00 10.00 N ATOM 523 CA ALA A 36 -21.199 38.974 10.545 1.00 10.00 C ATOM 524 C ALA A 36 -22.674 38.999 11.024 1.00 10.00 C ATOM 525 O ALA A 36 -22.955 39.497 12.118 1.00 10.00 O ATOM 526 CB ALA A 36 -21.018 39.851 9.283 1.00 10.00 C ATOM 0 H ALA A 36 -20.658 37.399 9.297 1.00 10.00 H new ATOM 0 HA ALA A 36 -20.641 39.376 11.391 1.00 10.00 H new ATOM 0 HB1 ALA A 36 -21.436 40.841 9.465 1.00 10.00 H new ATOM 0 HB2 ALA A 36 -19.957 39.942 9.052 1.00 10.00 H new ATOM 0 HB3 ALA A 36 -21.534 39.389 8.442 1.00 10.00 H new ATOM 532 N LYS A 37 -23.614 38.469 10.222 1.00 10.00 N ATOM 533 CA LYS A 37 -25.075 38.415 10.498 1.00 10.00 C ATOM 534 C LYS A 37 -25.605 37.013 10.123 1.00 10.00 C ATOM 535 O LYS A 37 -26.251 36.796 9.099 1.00 10.00 O ATOM 536 CB LYS A 37 -25.801 39.528 9.753 1.00 10.00 C ATOM 537 CG LYS A 37 -27.106 39.971 10.414 1.00 10.00 C ATOM 538 CD LYS A 37 -28.063 38.855 10.849 1.00 10.00 C ATOM 539 CE LYS A 37 -29.440 39.495 10.973 1.00 10.00 C ATOM 540 NZ LYS A 37 -30.466 38.563 11.518 1.00 10.00 N ATOM 0 H LYS A 37 -23.375 38.047 9.325 1.00 10.00 H new ATOM 0 HA LYS A 37 -25.263 38.578 11.559 1.00 10.00 H new ATOM 0 HB2 LYS A 37 -25.137 40.389 9.670 1.00 10.00 H new ATOM 0 HB3 LYS A 37 -26.015 39.192 8.738 1.00 10.00 H new ATOM 0 HG2 LYS A 37 -26.859 40.570 11.290 1.00 10.00 H new ATOM 0 HG3 LYS A 37 -27.636 40.624 9.721 1.00 10.00 H new ATOM 0 HD2 LYS A 37 -28.075 38.046 10.118 1.00 10.00 H new ATOM 0 HD3 LYS A 37 -27.749 38.422 11.799 1.00 10.00 H new ATOM 0 HE2 LYS A 37 -29.371 40.370 11.619 1.00 10.00 H new ATOM 0 HE3 LYS A 37 -29.761 39.847 9.993 1.00 10.00 H new ATOM 0 HZ1 LYS A 37 -31.339 39.089 11.723 1.00 10.00 H new ATOM 0 HZ2 LYS A 37 -30.666 37.820 10.819 1.00 10.00 H new ATOM 0 HZ3 LYS A 37 -30.110 38.128 12.393 1.00 10.00 H new ATOM 554 N PRO A 38 -25.370 36.029 10.979 1.00 10.00 N ATOM 555 CA PRO A 38 -25.551 34.634 10.617 1.00 10.00 C ATOM 556 C PRO A 38 -26.921 34.084 10.238 1.00 10.00 C ATOM 557 O PRO A 38 -26.991 33.078 9.542 1.00 10.00 O ATOM 558 CB PRO A 38 -24.868 33.850 11.741 1.00 10.00 C ATOM 559 CG PRO A 38 -24.615 34.853 12.873 1.00 10.00 C ATOM 560 CD PRO A 38 -24.723 36.223 12.252 1.00 10.00 C ATOM 0 HA PRO A 38 -25.109 34.516 9.628 1.00 10.00 H new ATOM 0 HB2 PRO A 38 -25.499 33.030 12.082 1.00 10.00 H new ATOM 0 HB3 PRO A 38 -23.933 33.410 11.395 1.00 10.00 H new ATOM 0 HG2 PRO A 38 -25.345 34.729 13.673 1.00 10.00 H new ATOM 0 HG3 PRO A 38 -23.630 34.702 13.314 1.00 10.00 H new ATOM 0 HD2 PRO A 38 -25.302 36.895 12.886 1.00 10.00 H new ATOM 0 HD3 PRO A 38 -23.738 36.673 12.125 1.00 10.00 H new ATOM 568 N SER A 39 -28.019 34.725 10.601 1.00 10.00 N ATOM 569 CA SER A 39 -29.330 34.415 10.111 1.00 10.00 C ATOM 570 C SER A 39 -30.049 35.614 9.540 1.00 10.00 C ATOM 571 O SER A 39 -31.136 36.039 9.930 1.00 10.00 O ATOM 572 CB SER A 39 -30.062 33.529 11.068 1.00 10.00 C ATOM 573 OG SER A 39 -30.250 34.131 12.343 1.00 10.00 O ATOM 0 H SER A 39 -28.011 35.498 11.266 1.00 10.00 H new ATOM 0 HA SER A 39 -29.254 33.796 9.217 1.00 10.00 H new ATOM 0 HB2 SER A 39 -31.033 33.271 10.646 1.00 10.00 H new ATOM 0 HB3 SER A 39 -29.509 32.597 11.189 1.00 10.00 H new ATOM 0 HG SER A 39 -30.734 33.512 12.929 1.00 10.00 H new ATOM 579 N ASP A 40 -29.274 36.252 8.676 1.00 10.00 N ATOM 580 CA ASP A 40 -29.704 37.203 7.682 1.00 10.00 C ATOM 581 C ASP A 40 -29.760 36.147 6.583 1.00 10.00 C ATOM 582 O ASP A 40 -28.758 35.876 5.929 1.00 10.00 O ATOM 583 CB ASP A 40 -28.716 38.329 7.370 1.00 10.00 C ATOM 584 CG ASP A 40 -29.132 39.077 6.094 1.00 10.00 C ATOM 585 OD1 ASP A 40 -30.070 39.906 6.174 1.00 10.00 O ATOM 586 OD2 ASP A 40 -28.558 38.819 5.010 1.00 10.00 O ATOM 0 H ASP A 40 -28.265 36.104 8.656 1.00 10.00 H new ATOM 0 HA ASP A 40 -30.586 37.802 7.910 1.00 10.00 H new ATOM 0 HB2 ASP A 40 -28.673 39.025 8.208 1.00 10.00 H new ATOM 0 HB3 ASP A 40 -27.714 37.917 7.246 1.00 10.00 H new ATOM 591 N PRO A 41 -30.858 35.385 6.476 1.00 10.00 N ATOM 592 CA PRO A 41 -30.877 34.191 5.643 1.00 10.00 C ATOM 593 C PRO A 41 -30.641 34.499 4.152 1.00 10.00 C ATOM 594 O PRO A 41 -30.579 33.587 3.344 1.00 10.00 O ATOM 595 CB PRO A 41 -32.269 33.619 5.835 1.00 10.00 C ATOM 596 CG PRO A 41 -33.124 34.847 6.146 1.00 10.00 C ATOM 597 CD PRO A 41 -32.188 35.699 6.973 1.00 10.00 C ATOM 0 HA PRO A 41 -30.078 33.507 5.929 1.00 10.00 H new ATOM 0 HB2 PRO A 41 -32.618 33.104 4.940 1.00 10.00 H new ATOM 0 HB3 PRO A 41 -32.296 32.895 6.650 1.00 10.00 H new ATOM 0 HG2 PRO A 41 -33.443 35.359 5.238 1.00 10.00 H new ATOM 0 HG3 PRO A 41 -34.027 34.584 6.698 1.00 10.00 H new ATOM 0 HD2 PRO A 41 -32.413 36.759 6.857 1.00 10.00 H new ATOM 0 HD3 PRO A 41 -32.278 35.468 8.034 1.00 10.00 H new ATOM 605 N ALA A 42 -30.539 35.767 3.758 1.00 10.00 N ATOM 606 CA ALA A 42 -30.135 36.214 2.446 1.00 10.00 C ATOM 607 C ALA A 42 -28.602 36.098 2.244 1.00 10.00 C ATOM 608 O ALA A 42 -28.185 35.381 1.328 1.00 10.00 O ATOM 609 CB ALA A 42 -30.747 37.601 2.302 1.00 10.00 C ATOM 0 H ALA A 42 -30.749 36.543 4.386 1.00 10.00 H new ATOM 0 HA ALA A 42 -30.500 35.588 1.632 1.00 10.00 H new ATOM 0 HB1 ALA A 42 -30.487 38.014 1.328 1.00 10.00 H new ATOM 0 HB2 ALA A 42 -31.831 37.531 2.389 1.00 10.00 H new ATOM 0 HB3 ALA A 42 -30.362 38.252 3.087 1.00 10.00 H new ATOM 615 N LEU A 43 -27.743 36.688 3.102 1.00 10.00 N ATOM 616 CA LEU A 43 -26.297 36.396 3.090 1.00 10.00 C ATOM 617 C LEU A 43 -26.071 34.934 3.466 1.00 10.00 C ATOM 618 O LEU A 43 -25.228 34.254 2.881 1.00 10.00 O ATOM 619 CB LEU A 43 -25.504 37.325 4.043 1.00 10.00 C ATOM 620 CG LEU A 43 -25.643 37.047 5.548 1.00 10.00 C ATOM 621 CD1 LEU A 43 -24.744 35.943 6.068 1.00 10.00 C ATOM 622 CD2 LEU A 43 -25.173 38.191 6.424 1.00 10.00 C ATOM 0 H LEU A 43 -28.026 37.367 3.809 1.00 10.00 H new ATOM 0 HA LEU A 43 -25.926 36.582 2.082 1.00 10.00 H new ATOM 0 HB2 LEU A 43 -24.448 37.261 3.781 1.00 10.00 H new ATOM 0 HB3 LEU A 43 -25.817 38.352 3.856 1.00 10.00 H new ATOM 0 HG LEU A 43 -26.708 36.825 5.610 1.00 10.00 H new ATOM 0 HD11 LEU A 43 -24.908 35.814 7.138 1.00 10.00 H new ATOM 0 HD12 LEU A 43 -24.975 35.012 5.551 1.00 10.00 H new ATOM 0 HD13 LEU A 43 -23.702 36.208 5.890 1.00 10.00 H new ATOM 0 HD21 LEU A 43 -25.301 37.923 7.473 1.00 10.00 H new ATOM 0 HD22 LEU A 43 -24.120 38.391 6.227 1.00 10.00 H new ATOM 0 HD23 LEU A 43 -25.759 39.083 6.203 1.00 10.00 H new ATOM 634 N LEU A 44 -26.819 34.448 4.464 1.00 10.00 N ATOM 635 CA LEU A 44 -26.706 33.083 4.910 1.00 10.00 C ATOM 636 C LEU A 44 -27.078 32.164 3.742 1.00 10.00 C ATOM 637 O LEU A 44 -26.351 31.219 3.528 1.00 10.00 O ATOM 638 CB LEU A 44 -27.278 32.829 6.346 1.00 10.00 C ATOM 639 CG LEU A 44 -27.784 31.397 6.366 1.00 10.00 C ATOM 640 CD1 LEU A 44 -28.189 30.587 7.529 1.00 10.00 C ATOM 641 CD2 LEU A 44 -29.023 31.319 5.569 1.00 10.00 C ATOM 0 H LEU A 44 -27.511 34.998 4.973 1.00 10.00 H new ATOM 0 HA LEU A 44 -25.678 32.805 5.143 1.00 10.00 H new ATOM 0 HB2 LEU A 44 -26.507 32.978 7.102 1.00 10.00 H new ATOM 0 HB3 LEU A 44 -28.084 33.528 6.571 1.00 10.00 H new ATOM 0 HG LEU A 44 -26.821 30.977 6.076 1.00 10.00 H new ATOM 0 HD11 LEU A 44 -28.502 29.599 7.193 1.00 10.00 H new ATOM 0 HD12 LEU A 44 -27.347 30.487 8.214 1.00 10.00 H new ATOM 0 HD13 LEU A 44 -29.018 31.075 8.042 1.00 10.00 H new ATOM 0 HD21 LEU A 44 -29.396 30.295 5.576 1.00 10.00 H new ATOM 0 HD22 LEU A 44 -29.774 31.982 5.998 1.00 10.00 H new ATOM 0 HD23 LEU A 44 -28.815 31.623 4.543 1.00 10.00 H new ATOM 653 N ALA A 45 -28.143 32.357 2.959 1.00 10.00 N ATOM 654 CA ALA A 45 -28.509 31.272 2.068 1.00 10.00 C ATOM 655 C ALA A 45 -27.549 31.268 0.872 1.00 10.00 C ATOM 656 O ALA A 45 -27.448 30.264 0.181 1.00 10.00 O ATOM 657 CB ALA A 45 -29.984 31.220 1.715 1.00 10.00 C ATOM 0 H ALA A 45 -28.726 33.193 2.925 1.00 10.00 H new ATOM 0 HA ALA A 45 -28.384 30.327 2.597 1.00 10.00 H new ATOM 0 HB1 ALA A 45 -30.169 30.380 1.046 1.00 10.00 H new ATOM 0 HB2 ALA A 45 -30.572 31.096 2.625 1.00 10.00 H new ATOM 0 HB3 ALA A 45 -30.273 32.148 1.221 1.00 10.00 H new ATOM 663 N ALA A 46 -26.846 32.382 0.616 1.00 10.00 N ATOM 664 CA ALA A 46 -25.725 32.420 -0.302 1.00 10.00 C ATOM 665 C ALA A 46 -24.615 31.484 0.227 1.00 10.00 C ATOM 666 O ALA A 46 -23.985 30.774 -0.549 1.00 10.00 O ATOM 667 CB ALA A 46 -25.242 33.858 -0.478 1.00 10.00 C ATOM 0 H ALA A 46 -27.051 33.282 1.050 1.00 10.00 H new ATOM 0 HA ALA A 46 -26.024 32.065 -1.288 1.00 10.00 H new ATOM 0 HB1 ALA A 46 -24.400 33.877 -1.169 1.00 10.00 H new ATOM 0 HB2 ALA A 46 -26.053 34.468 -0.877 1.00 10.00 H new ATOM 0 HB3 ALA A 46 -24.929 34.257 0.487 1.00 10.00 H new ATOM 673 N TYR A 47 -24.418 31.410 1.551 1.00 10.00 N ATOM 674 CA TYR A 47 -23.589 30.395 2.197 1.00 10.00 C ATOM 675 C TYR A 47 -24.196 29.033 1.989 1.00 10.00 C ATOM 676 O TYR A 47 -23.528 28.176 1.436 1.00 10.00 O ATOM 677 CB TYR A 47 -23.461 30.601 3.705 1.00 10.00 C ATOM 678 CG TYR A 47 -22.479 29.653 4.387 1.00 10.00 C ATOM 679 CD1 TYR A 47 -21.130 29.613 4.012 1.00 10.00 C ATOM 680 CD2 TYR A 47 -22.949 28.717 5.334 1.00 10.00 C ATOM 681 CE1 TYR A 47 -20.258 28.654 4.561 1.00 10.00 C ATOM 682 CE2 TYR A 47 -22.080 27.769 5.908 1.00 10.00 C ATOM 683 CZ TYR A 47 -20.728 27.728 5.513 1.00 10.00 C ATOM 684 OH TYR A 47 -19.875 26.808 6.042 1.00 10.00 O ATOM 0 H TYR A 47 -24.839 32.066 2.209 1.00 10.00 H new ATOM 0 HA TYR A 47 -22.601 30.479 1.744 1.00 10.00 H new ATOM 0 HB2 TYR A 47 -23.148 31.628 3.894 1.00 10.00 H new ATOM 0 HB3 TYR A 47 -24.443 30.478 4.161 1.00 10.00 H new ATOM 0 HD1 TYR A 47 -20.755 30.326 3.293 1.00 10.00 H new ATOM 0 HD2 TYR A 47 -23.990 28.728 5.622 1.00 10.00 H new ATOM 0 HE1 TYR A 47 -19.224 28.628 4.251 1.00 10.00 H new ATOM 0 HE2 TYR A 47 -22.449 27.075 6.649 1.00 10.00 H new ATOM 0 HH TYR A 47 -20.357 26.246 6.684 1.00 10.00 H new ATOM 694 N GLN A 48 -25.471 28.872 2.357 1.00 10.00 N ATOM 695 CA GLN A 48 -26.225 27.635 2.230 1.00 10.00 C ATOM 696 C GLN A 48 -26.217 27.110 0.772 1.00 10.00 C ATOM 697 O GLN A 48 -26.327 25.910 0.534 1.00 10.00 O ATOM 698 CB GLN A 48 -27.634 27.740 2.830 1.00 10.00 C ATOM 699 CG GLN A 48 -27.734 28.185 4.277 1.00 10.00 C ATOM 700 CD GLN A 48 -27.111 27.221 5.285 1.00 10.00 C ATOM 701 OE1 GLN A 48 -26.078 27.479 5.880 1.00 10.00 O ATOM 702 NE2 GLN A 48 -27.716 26.077 5.529 1.00 10.00 N ATOM 0 H GLN A 48 -26.019 29.629 2.765 1.00 10.00 H new ATOM 0 HA GLN A 48 -25.714 26.882 2.830 1.00 10.00 H new ATOM 0 HB2 GLN A 48 -28.211 28.436 2.221 1.00 10.00 H new ATOM 0 HB3 GLN A 48 -28.114 26.765 2.741 1.00 10.00 H new ATOM 0 HG2 GLN A 48 -27.252 29.157 4.378 1.00 10.00 H new ATOM 0 HG3 GLN A 48 -28.785 28.323 4.529 1.00 10.00 H new ATOM 0 HE21 GLN A 48 -28.581 25.843 5.041 1.00 10.00 H new ATOM 0 HE22 GLN A 48 -27.320 25.425 6.206 1.00 10.00 H new ATOM 711 N SER A 49 -26.015 28.011 -0.198 1.00 10.00 N ATOM 712 CA SER A 49 -25.787 27.762 -1.615 1.00 10.00 C ATOM 713 C SER A 49 -24.354 27.358 -1.925 1.00 10.00 C ATOM 714 O SER A 49 -24.132 26.324 -2.545 1.00 10.00 O ATOM 715 CB SER A 49 -26.098 29.025 -2.456 1.00 10.00 C ATOM 716 OG SER A 49 -27.488 29.294 -2.449 1.00 10.00 O ATOM 0 H SER A 49 -26.007 29.009 0.011 1.00 10.00 H new ATOM 0 HA SER A 49 -26.454 26.940 -1.873 1.00 10.00 H new ATOM 0 HB2 SER A 49 -25.554 29.880 -2.054 1.00 10.00 H new ATOM 0 HB3 SER A 49 -25.754 28.881 -3.480 1.00 10.00 H new ATOM 0 HG SER A 49 -27.745 29.665 -1.579 1.00 10.00 H new ATOM 722 N LYS A 50 -23.362 28.145 -1.500 1.00 10.00 N ATOM 723 CA LYS A 50 -21.940 27.901 -1.752 1.00 10.00 C ATOM 724 C LYS A 50 -21.443 26.616 -1.095 1.00 10.00 C ATOM 725 O LYS A 50 -20.657 25.895 -1.688 1.00 10.00 O ATOM 726 CB LYS A 50 -21.146 29.157 -1.349 1.00 10.00 C ATOM 727 CG LYS A 50 -21.493 30.332 -2.284 1.00 10.00 C ATOM 728 CD LYS A 50 -20.379 30.654 -3.264 1.00 10.00 C ATOM 729 CE LYS A 50 -20.051 29.502 -4.221 1.00 10.00 C ATOM 730 NZ LYS A 50 -20.398 29.833 -5.630 1.00 10.00 N ATOM 0 H LYS A 50 -23.531 28.992 -0.957 1.00 10.00 H new ATOM 0 HA LYS A 50 -21.780 27.728 -2.816 1.00 10.00 H new ATOM 0 HB2 LYS A 50 -21.375 29.425 -0.317 1.00 10.00 H new ATOM 0 HB3 LYS A 50 -20.077 28.950 -1.395 1.00 10.00 H new ATOM 0 HG2 LYS A 50 -22.400 30.093 -2.839 1.00 10.00 H new ATOM 0 HG3 LYS A 50 -21.709 31.216 -1.684 1.00 10.00 H new ATOM 0 HD2 LYS A 50 -20.662 31.530 -3.847 1.00 10.00 H new ATOM 0 HD3 LYS A 50 -19.481 30.919 -2.706 1.00 10.00 H new ATOM 0 HE2 LYS A 50 -18.989 29.267 -4.155 1.00 10.00 H new ATOM 0 HE3 LYS A 50 -20.595 28.609 -3.914 1.00 10.00 H new ATOM 0 HZ1 LYS A 50 -20.338 28.974 -6.213 1.00 10.00 H new ATOM 0 HZ2 LYS A 50 -21.366 30.211 -5.669 1.00 10.00 H new ATOM 0 HZ3 LYS A 50 -19.733 30.545 -5.993 1.00 10.00 H new ATOM 744 N LEU A 51 -21.990 26.291 0.066 1.00 10.00 N ATOM 745 CA LEU A 51 -21.911 25.053 0.833 1.00 10.00 C ATOM 746 C LEU A 51 -22.300 23.856 -0.043 1.00 10.00 C ATOM 747 O LEU A 51 -21.591 22.850 -0.080 1.00 10.00 O ATOM 748 CB LEU A 51 -22.877 25.355 2.007 1.00 10.00 C ATOM 749 CG LEU A 51 -23.384 24.257 2.947 1.00 10.00 C ATOM 750 CD1 LEU A 51 -24.026 24.943 4.152 1.00 10.00 C ATOM 751 CD2 LEU A 51 -24.484 23.399 2.321 1.00 10.00 C ATOM 0 H LEU A 51 -22.572 26.972 0.554 1.00 10.00 H new ATOM 0 HA LEU A 51 -20.921 24.773 1.194 1.00 10.00 H new ATOM 0 HB2 LEU A 51 -22.387 26.102 2.632 1.00 10.00 H new ATOM 0 HB3 LEU A 51 -23.758 25.829 1.574 1.00 10.00 H new ATOM 0 HG LEU A 51 -22.534 23.621 3.194 1.00 10.00 H new ATOM 0 HD11 LEU A 51 -24.399 24.188 4.844 1.00 10.00 H new ATOM 0 HD12 LEU A 51 -23.284 25.562 4.656 1.00 10.00 H new ATOM 0 HD13 LEU A 51 -24.853 25.568 3.817 1.00 10.00 H new ATOM 0 HD21 LEU A 51 -24.803 22.639 3.034 1.00 10.00 H new ATOM 0 HD22 LEU A 51 -25.333 24.030 2.060 1.00 10.00 H new ATOM 0 HD23 LEU A 51 -24.101 22.915 1.422 1.00 10.00 H new ATOM 763 N SER A 52 -23.376 23.995 -0.818 1.00 10.00 N ATOM 764 CA SER A 52 -23.774 23.022 -1.825 1.00 10.00 C ATOM 765 C SER A 52 -22.911 23.070 -3.083 1.00 10.00 C ATOM 766 O SER A 52 -22.522 22.021 -3.584 1.00 10.00 O ATOM 767 CB SER A 52 -25.229 23.202 -2.237 1.00 10.00 C ATOM 768 OG SER A 52 -26.098 23.020 -1.129 1.00 10.00 O ATOM 0 H SER A 52 -24.001 24.799 -0.760 1.00 10.00 H new ATOM 0 HA SER A 52 -23.636 22.052 -1.347 1.00 10.00 H new ATOM 0 HB2 SER A 52 -25.372 24.198 -2.656 1.00 10.00 H new ATOM 0 HB3 SER A 52 -25.480 22.488 -3.021 1.00 10.00 H new ATOM 0 HG SER A 52 -26.186 23.865 -0.640 1.00 10.00 H new ATOM 774 N GLU A 53 -22.550 24.255 -3.582 1.00 10.00 N ATOM 775 CA GLU A 53 -21.678 24.404 -4.741 1.00 10.00 C ATOM 776 C GLU A 53 -20.305 23.760 -4.518 1.00 10.00 C ATOM 777 O GLU A 53 -19.675 23.267 -5.447 1.00 10.00 O ATOM 778 CB GLU A 53 -21.382 25.845 -5.111 1.00 10.00 C ATOM 779 CG GLU A 53 -22.397 26.802 -5.695 1.00 10.00 C ATOM 780 CD GLU A 53 -23.175 26.227 -6.893 1.00 10.00 C ATOM 781 OE1 GLU A 53 -22.577 26.065 -7.984 1.00 10.00 O ATOM 782 OE2 GLU A 53 -24.394 25.963 -6.759 1.00 10.00 O ATOM 0 H GLU A 53 -22.859 25.143 -3.187 1.00 10.00 H new ATOM 0 HA GLU A 53 -22.241 23.916 -5.536 1.00 10.00 H new ATOM 0 HB2 GLU A 53 -21.006 26.319 -4.204 1.00 10.00 H new ATOM 0 HB3 GLU A 53 -20.555 25.812 -5.820 1.00 10.00 H new ATOM 0 HG2 GLU A 53 -23.105 27.086 -4.916 1.00 10.00 H new ATOM 0 HG3 GLU A 53 -21.886 27.712 -6.009 1.00 10.00 H new ATOM 789 N TYR A 54 -19.811 23.789 -3.286 1.00 10.00 N ATOM 790 CA TYR A 54 -18.572 23.151 -2.886 1.00 10.00 C ATOM 791 C TYR A 54 -18.721 21.624 -2.922 1.00 10.00 C ATOM 792 O TYR A 54 -17.827 20.930 -3.411 1.00 10.00 O ATOM 793 CB TYR A 54 -18.094 23.745 -1.554 1.00 10.00 C ATOM 794 CG TYR A 54 -17.503 22.754 -0.611 1.00 10.00 C ATOM 795 CD1 TYR A 54 -16.241 22.224 -0.902 1.00 10.00 C ATOM 796 CD2 TYR A 54 -18.233 22.325 0.504 1.00 10.00 C ATOM 797 CE1 TYR A 54 -15.715 21.219 -0.088 1.00 10.00 C ATOM 798 CE2 TYR A 54 -17.710 21.321 1.327 1.00 10.00 C ATOM 799 CZ TYR A 54 -16.449 20.746 1.027 1.00 10.00 C ATOM 800 OH TYR A 54 -15.941 19.730 1.779 1.00 10.00 O ATOM 0 H TYR A 54 -20.278 24.272 -2.519 1.00 10.00 H new ATOM 0 HA TYR A 54 -17.772 23.361 -3.596 1.00 10.00 H new ATOM 0 HB2 TYR A 54 -17.353 24.517 -1.760 1.00 10.00 H new ATOM 0 HB3 TYR A 54 -18.937 24.234 -1.066 1.00 10.00 H new ATOM 0 HD1 TYR A 54 -15.679 22.589 -1.749 1.00 10.00 H new ATOM 0 HD2 TYR A 54 -19.193 22.766 0.728 1.00 10.00 H new ATOM 0 HE1 TYR A 54 -14.744 20.801 -0.310 1.00 10.00 H new ATOM 0 HE2 TYR A 54 -18.266 20.985 2.190 1.00 10.00 H new ATOM 0 HH TYR A 54 -16.562 19.520 2.508 1.00 10.00 H new ATOM 843 N TYR A 57 -18.500 21.050 -6.580 1.00 10.00 N ATOM 844 CA TYR A 57 -17.085 20.974 -6.915 1.00 10.00 C ATOM 845 C TYR A 57 -16.619 19.517 -6.677 1.00 10.00 C ATOM 846 O TYR A 57 -15.984 18.894 -7.526 1.00 10.00 O ATOM 847 CB TYR A 57 -16.240 22.041 -6.187 1.00 10.00 C ATOM 848 CG TYR A 57 -14.797 21.585 -6.139 1.00 10.00 C ATOM 849 CD1 TYR A 57 -13.946 21.810 -7.237 1.00 10.00 C ATOM 850 CD2 TYR A 57 -14.434 20.664 -5.142 1.00 10.00 C ATOM 851 CE1 TYR A 57 -12.756 21.068 -7.363 1.00 10.00 C ATOM 852 CE2 TYR A 57 -13.275 19.884 -5.287 1.00 10.00 C ATOM 853 CZ TYR A 57 -12.434 20.082 -6.403 1.00 10.00 C ATOM 854 OH TYR A 57 -11.339 19.299 -6.575 1.00 10.00 O ATOM 0 HA TYR A 57 -16.933 21.217 -7.967 1.00 10.00 H new ATOM 0 HB2 TYR A 57 -16.315 22.997 -6.705 1.00 10.00 H new ATOM 0 HB3 TYR A 57 -16.619 22.195 -5.177 1.00 10.00 H new ATOM 0 HD1 TYR A 57 -14.205 22.549 -7.981 1.00 10.00 H new ATOM 0 HD2 TYR A 57 -15.049 20.555 -4.261 1.00 10.00 H new ATOM 0 HE1 TYR A 57 -12.090 21.252 -8.193 1.00 10.00 H new ATOM 0 HE2 TYR A 57 -13.028 19.136 -4.548 1.00 10.00 H new ATOM 0 HH TYR A 57 -11.262 18.675 -5.824 1.00 10.00 H new ATOM 864 N ARG A 58 -17.035 18.944 -5.538 1.00 10.00 N ATOM 865 CA ARG A 58 -16.832 17.556 -5.108 1.00 10.00 C ATOM 866 C ARG A 58 -17.486 16.541 -6.054 1.00 10.00 C ATOM 867 O ARG A 58 -16.898 15.507 -6.354 1.00 10.00 O ATOM 868 CB ARG A 58 -17.410 17.424 -3.679 1.00 10.00 C ATOM 869 CG ARG A 58 -16.448 16.968 -2.583 1.00 10.00 C ATOM 870 CD ARG A 58 -15.494 18.109 -2.209 1.00 10.00 C ATOM 871 NE ARG A 58 -14.706 17.795 -1.003 1.00 10.00 N ATOM 872 CZ ARG A 58 -13.647 17.013 -0.903 1.00 10.00 C ATOM 873 NH1 ARG A 58 -13.091 16.423 -1.925 1.00 10.00 N ATOM 874 NH2 ARG A 58 -13.107 16.810 0.264 1.00 10.00 N ATOM 0 H ARG A 58 -17.559 19.478 -4.845 1.00 10.00 H new ATOM 0 HA ARG A 58 -15.766 17.330 -5.124 1.00 10.00 H new ATOM 0 HB2 ARG A 58 -17.821 18.391 -3.389 1.00 10.00 H new ATOM 0 HB3 ARG A 58 -18.242 16.721 -3.713 1.00 10.00 H new ATOM 0 HG2 ARG A 58 -17.010 16.651 -1.704 1.00 10.00 H new ATOM 0 HG3 ARG A 58 -15.878 16.105 -2.925 1.00 10.00 H new ATOM 0 HD2 ARG A 58 -14.819 18.306 -3.042 1.00 10.00 H new ATOM 0 HD3 ARG A 58 -16.067 19.021 -2.041 1.00 10.00 H new ATOM 0 HE ARG A 58 -15.018 18.237 -0.138 1.00 10.00 H new ATOM 0 HH11 ARG A 58 -13.474 16.556 -2.861 1.00 10.00 H new ATOM 0 HH12 ARG A 58 -12.273 15.829 -1.788 1.00 10.00 H new ATOM 0 HH21 ARG A 58 -13.502 17.254 1.093 1.00 10.00 H new ATOM 0 HH22 ARG A 58 -12.289 16.207 0.349 1.00 10.00 H new ATOM 888 N ASN A 59 -18.684 16.857 -6.548 1.00 10.00 N ATOM 889 CA ASN A 59 -19.444 16.049 -7.500 1.00 10.00 C ATOM 890 C ASN A 59 -18.756 16.002 -8.870 1.00 10.00 C ATOM 891 O ASN A 59 -18.613 14.941 -9.473 1.00 10.00 O ATOM 892 CB ASN A 59 -20.880 16.598 -7.635 1.00 10.00 C ATOM 893 CG ASN A 59 -21.789 15.596 -8.332 1.00 10.00 C ATOM 894 OD1 ASN A 59 -21.998 14.485 -7.868 1.00 10.00 O ATOM 895 ND2 ASN A 59 -22.352 15.944 -9.468 1.00 10.00 N ATOM 0 H ASN A 59 -19.169 17.715 -6.285 1.00 10.00 H new ATOM 0 HA ASN A 59 -19.488 15.029 -7.117 1.00 10.00 H new ATOM 0 HB2 ASN A 59 -21.278 16.828 -6.647 1.00 10.00 H new ATOM 0 HB3 ASN A 59 -20.864 17.531 -8.198 1.00 10.00 H new ATOM 0 HD21 ASN A 59 -22.960 15.288 -9.958 1.00 10.00 H new ATOM 0 HD22 ASN A 59 -22.181 16.870 -9.859 1.00 10.00 H new ATOM 902 N ALA A 60 -18.271 17.155 -9.329 1.00 10.00 N ATOM 903 CA ALA A 60 -17.432 17.317 -10.505 1.00 10.00 C ATOM 904 C ALA A 60 -16.110 16.556 -10.340 1.00 10.00 C ATOM 905 O ALA A 60 -15.712 15.824 -11.243 1.00 10.00 O ATOM 906 CB ALA A 60 -17.255 18.818 -10.755 1.00 10.00 C ATOM 0 H ALA A 60 -18.465 18.042 -8.865 1.00 10.00 H new ATOM 0 HA ALA A 60 -17.900 16.881 -11.387 1.00 10.00 H new ATOM 0 HB1 ALA A 60 -16.628 18.969 -11.634 1.00 10.00 H new ATOM 0 HB2 ALA A 60 -18.230 19.277 -10.921 1.00 10.00 H new ATOM 0 HB3 ALA A 60 -16.781 19.278 -9.888 1.00 10.00 H new ATOM 912 N GLN A 61 -15.515 16.595 -9.142 1.00 10.00 N ATOM 913 CA GLN A 61 -14.384 15.780 -8.678 1.00 10.00 C ATOM 914 C GLN A 61 -14.784 14.333 -8.301 1.00 10.00 C ATOM 915 O GLN A 61 -14.164 13.643 -7.494 1.00 10.00 O ATOM 916 CB GLN A 61 -13.668 16.526 -7.567 1.00 10.00 C ATOM 917 CG GLN A 61 -12.282 15.934 -7.216 1.00 10.00 C ATOM 918 CD GLN A 61 -12.054 15.756 -5.708 1.00 10.00 C ATOM 919 OE1 GLN A 61 -12.681 16.364 -4.845 1.00 10.00 O ATOM 920 NE2 GLN A 61 -11.141 14.887 -5.326 1.00 10.00 N ATOM 0 H GLN A 61 -15.833 17.242 -8.420 1.00 10.00 H new ATOM 0 HA GLN A 61 -13.687 15.640 -9.504 1.00 10.00 H new ATOM 0 HB2 GLN A 61 -13.545 17.568 -7.861 1.00 10.00 H new ATOM 0 HB3 GLN A 61 -14.293 16.519 -6.674 1.00 10.00 H new ATOM 0 HG2 GLN A 61 -12.174 14.967 -7.708 1.00 10.00 H new ATOM 0 HG3 GLN A 61 -11.506 16.585 -7.618 1.00 10.00 H new ATOM 0 HE21 GLN A 61 -10.606 14.369 -6.023 1.00 10.00 H new ATOM 0 HE22 GLN A 61 -10.968 14.732 -4.333 1.00 10.00 H new ATOM 929 N SER A 62 -15.869 13.887 -8.915 1.00 10.00 N ATOM 930 CA SER A 62 -16.395 12.531 -8.977 1.00 10.00 C ATOM 931 C SER A 62 -17.097 12.310 -10.334 1.00 10.00 C ATOM 932 O SER A 62 -17.955 11.442 -10.495 1.00 10.00 O ATOM 933 CB SER A 62 -17.301 12.273 -7.780 1.00 10.00 C ATOM 934 OG SER A 62 -17.512 10.879 -7.599 1.00 10.00 O ATOM 0 H SER A 62 -16.464 14.532 -9.436 1.00 10.00 H new ATOM 0 HA SER A 62 -15.586 11.803 -8.917 1.00 10.00 H new ATOM 0 HB2 SER A 62 -16.854 12.698 -6.881 1.00 10.00 H new ATOM 0 HB3 SER A 62 -18.258 12.774 -7.927 1.00 10.00 H new ATOM 0 HG SER A 62 -18.095 10.734 -6.825 1.00 10.00 H new ATOM 940 N ASN A 63 -16.699 13.112 -11.332 1.00 10.00 N ATOM 941 CA ASN A 63 -17.109 13.070 -12.724 1.00 10.00 C ATOM 942 C ASN A 63 -15.881 13.051 -13.631 1.00 10.00 C ATOM 943 O ASN A 63 -15.691 12.132 -14.413 1.00 10.00 O ATOM 944 CB ASN A 63 -18.026 14.275 -13.006 1.00 10.00 C ATOM 945 CG ASN A 63 -19.036 14.033 -14.119 1.00 10.00 C ATOM 946 OD1 ASN A 63 -18.996 13.054 -14.851 1.00 10.00 O ATOM 947 ND2 ASN A 63 -19.982 14.929 -14.285 1.00 10.00 N ATOM 0 H ASN A 63 -16.029 13.862 -11.163 1.00 10.00 H new ATOM 0 HA ASN A 63 -17.670 12.159 -12.931 1.00 10.00 H new ATOM 0 HB2 ASN A 63 -18.561 14.534 -12.092 1.00 10.00 H new ATOM 0 HB3 ASN A 63 -17.410 15.135 -13.268 1.00 10.00 H new ATOM 0 HD21 ASN A 63 -20.678 14.806 -15.021 1.00 10.00 H new ATOM 0 HD22 ASN A 63 -20.021 15.748 -13.678 1.00 10.00 H new ATOM 954 N THR A 64 -14.966 13.991 -13.412 1.00 10.00 N ATOM 955 CA THR A 64 -13.613 14.054 -13.991 1.00 10.00 C ATOM 956 C THR A 64 -12.829 12.745 -13.871 1.00 10.00 C ATOM 957 O THR A 64 -12.308 12.180 -14.828 1.00 10.00 O ATOM 958 CB THR A 64 -12.888 15.226 -13.330 1.00 10.00 C ATOM 959 OG1 THR A 64 -11.627 15.446 -13.899 1.00 10.00 O ATOM 960 CG2 THR A 64 -12.748 15.076 -11.814 1.00 10.00 C ATOM 0 H THR A 64 -15.153 14.778 -12.791 1.00 10.00 H new ATOM 0 HA THR A 64 -13.694 14.210 -15.067 1.00 10.00 H new ATOM 0 HB THR A 64 -13.522 16.093 -13.517 1.00 10.00 H new ATOM 0 HG1 THR A 64 -11.096 14.624 -13.846 1.00 10.00 H new ATOM 0 HG21 THR A 64 -12.224 15.942 -11.409 1.00 10.00 H new ATOM 0 HG22 THR A 64 -13.738 15.007 -11.362 1.00 10.00 H new ATOM 0 HG23 THR A 64 -12.182 14.172 -11.589 1.00 10.00 H new ATOM 968 N VAL A 65 -12.921 12.176 -12.680 1.00 10.00 N ATOM 969 CA VAL A 65 -12.473 10.860 -12.213 1.00 10.00 C ATOM 970 C VAL A 65 -12.962 9.690 -13.086 1.00 10.00 C ATOM 971 O VAL A 65 -12.314 8.649 -13.184 1.00 10.00 O ATOM 972 CB VAL A 65 -13.031 10.699 -10.782 1.00 10.00 C ATOM 973 CG1 VAL A 65 -12.215 9.711 -9.956 1.00 10.00 C ATOM 974 CG2 VAL A 65 -13.079 11.996 -9.968 1.00 10.00 C ATOM 0 H VAL A 65 -13.367 12.685 -11.917 1.00 10.00 H new ATOM 0 HA VAL A 65 -11.385 10.823 -12.258 1.00 10.00 H new ATOM 0 HB VAL A 65 -14.047 10.343 -10.954 1.00 10.00 H new ATOM 0 HG11 VAL A 65 -12.644 9.630 -8.957 1.00 10.00 H new ATOM 0 HG12 VAL A 65 -12.231 8.734 -10.438 1.00 10.00 H new ATOM 0 HG13 VAL A 65 -11.186 10.062 -9.881 1.00 10.00 H new ATOM 0 HG21 VAL A 65 -13.484 11.789 -8.977 1.00 10.00 H new ATOM 0 HG22 VAL A 65 -12.072 12.402 -9.871 1.00 10.00 H new ATOM 0 HG23 VAL A 65 -13.715 12.721 -10.476 1.00 10.00 H new ATOM 984 N LYS A 66 -14.102 9.898 -13.752 1.00 10.00 N ATOM 985 CA LYS A 66 -14.876 9.007 -14.612 1.00 10.00 C ATOM 986 C LYS A 66 -14.982 9.545 -16.056 1.00 10.00 C ATOM 987 O LYS A 66 -15.757 9.046 -16.871 1.00 10.00 O ATOM 988 CB LYS A 66 -16.248 8.837 -13.942 1.00 10.00 C ATOM 989 CG LYS A 66 -16.192 7.958 -12.674 1.00 10.00 C ATOM 990 CD LYS A 66 -17.003 8.602 -11.543 1.00 10.00 C ATOM 991 CE LYS A 66 -16.999 7.761 -10.262 1.00 10.00 C ATOM 992 NZ LYS A 66 -17.827 8.395 -9.200 1.00 10.00 N ATOM 0 H LYS A 66 -14.557 10.809 -13.691 1.00 10.00 H new ATOM 0 HA LYS A 66 -14.384 8.040 -14.715 1.00 10.00 H new ATOM 0 HB2 LYS A 66 -16.643 9.819 -13.680 1.00 10.00 H new ATOM 0 HB3 LYS A 66 -16.943 8.393 -14.655 1.00 10.00 H new ATOM 0 HG2 LYS A 66 -16.586 6.966 -12.894 1.00 10.00 H new ATOM 0 HG3 LYS A 66 -15.157 7.827 -12.359 1.00 10.00 H new ATOM 0 HD2 LYS A 66 -16.596 9.590 -11.326 1.00 10.00 H new ATOM 0 HD3 LYS A 66 -18.031 8.747 -11.875 1.00 10.00 H new ATOM 0 HE2 LYS A 66 -17.381 6.763 -10.478 1.00 10.00 H new ATOM 0 HE3 LYS A 66 -15.976 7.641 -9.906 1.00 10.00 H new ATOM 0 HZ1 LYS A 66 -17.932 7.736 -8.402 1.00 10.00 H new ATOM 0 HZ2 LYS A 66 -17.363 9.266 -8.872 1.00 10.00 H new ATOM 0 HZ3 LYS A 66 -18.766 8.626 -9.583 1.00 10.00 H new ATOM 1006 N VAL A 67 -14.136 10.524 -16.383 1.00 10.00 N ATOM 1007 CA VAL A 67 -13.913 11.173 -17.674 1.00 10.00 C ATOM 1008 C VAL A 67 -12.502 10.896 -18.159 1.00 10.00 C ATOM 1009 O VAL A 67 -12.277 10.724 -19.349 1.00 10.00 O ATOM 1010 CB VAL A 67 -14.213 12.658 -17.521 1.00 10.00 C ATOM 1011 CG1 VAL A 67 -13.571 13.556 -18.561 1.00 10.00 C ATOM 1012 CG2 VAL A 67 -15.721 12.802 -17.503 1.00 10.00 C ATOM 0 H VAL A 67 -13.525 10.924 -15.671 1.00 10.00 H new ATOM 0 HA VAL A 67 -14.580 10.772 -18.437 1.00 10.00 H new ATOM 0 HB VAL A 67 -13.762 13.004 -16.591 1.00 10.00 H new ATOM 0 HG11 VAL A 67 -13.845 14.593 -18.366 1.00 10.00 H new ATOM 0 HG12 VAL A 67 -12.487 13.452 -18.513 1.00 10.00 H new ATOM 0 HG13 VAL A 67 -13.919 13.270 -19.554 1.00 10.00 H new ATOM 0 HG21 VAL A 67 -15.985 13.854 -17.394 1.00 10.00 H new ATOM 0 HG22 VAL A 67 -16.134 12.419 -18.436 1.00 10.00 H new ATOM 0 HG23 VAL A 67 -16.130 12.237 -16.666 1.00 10.00 H new ATOM 1022 N PHE A 68 -11.549 10.768 -17.244 1.00 10.00 N ATOM 1023 CA PHE A 68 -10.239 10.218 -17.554 1.00 10.00 C ATOM 1024 C PHE A 68 -10.449 8.730 -17.958 1.00 10.00 C ATOM 1025 O PHE A 68 -9.678 8.139 -18.702 1.00 10.00 O ATOM 1026 CB PHE A 68 -9.346 10.404 -16.326 1.00 10.00 C ATOM 1027 CG PHE A 68 -8.903 11.839 -16.085 1.00 10.00 C ATOM 1028 CD1 PHE A 68 -8.132 12.519 -17.050 1.00 10.00 C ATOM 1029 CD2 PHE A 68 -9.272 12.507 -14.901 1.00 10.00 C ATOM 1030 CE1 PHE A 68 -7.761 13.860 -16.844 1.00 10.00 C ATOM 1031 CE2 PHE A 68 -8.920 13.854 -14.705 1.00 10.00 C ATOM 1032 CZ PHE A 68 -8.163 14.532 -15.676 1.00 10.00 C ATOM 0 H PHE A 68 -11.664 11.043 -16.268 1.00 10.00 H new ATOM 0 HA PHE A 68 -9.742 10.719 -18.385 1.00 10.00 H new ATOM 0 HB2 PHE A 68 -9.881 10.049 -15.445 1.00 10.00 H new ATOM 0 HB3 PHE A 68 -8.461 9.777 -16.436 1.00 10.00 H new ATOM 0 HD1 PHE A 68 -7.825 12.008 -17.951 1.00 10.00 H new ATOM 0 HD2 PHE A 68 -9.829 11.981 -14.139 1.00 10.00 H new ATOM 0 HE1 PHE A 68 -7.166 14.375 -17.584 1.00 10.00 H new ATOM 0 HE2 PHE A 68 -9.231 14.368 -13.808 1.00 10.00 H new ATOM 0 HZ PHE A 68 -7.891 15.566 -15.525 1.00 10.00 H new