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 26 GLN : amide:sc= 1.36 K(o=1.7,f=-2.8) USER MOD Set 1.2: A 50 LYS NZ :NH3+ -168:sc= 0.342 (180deg=-0.143) 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+ -169:sc= 1.48 (180deg=1.36) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 24 GLN : amide:sc= -0.0114 X(o=-0.011,f=-0.016) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 90:sc= 1.27 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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=-0.00367 X(o=-0.0037,f=-0.33) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 76:sc= 0.56 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 30:sc= -0.169 USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 GLN : amide:sc= 0.717 K(o=0.72,f=-4.1!) USER MOD Single : A 62 SER OG : rot -45:sc= 0.102 USER MOD Single : A 63 ASN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 64 THR OG1 : rot -66:sc= 0.33 USER MOD Single : A 66 LYS NZ :NH3+ -178:sc= 1.08 (180deg=1.08) USER MOD ----------------------------------------------------------------- ATOM 58 N TRP A 5 0.820 6.978 -5.598 1.00 10.00 N ATOM 59 CA TRP A 5 0.471 8.406 -5.547 1.00 10.00 C ATOM 60 C TRP A 5 1.493 9.265 -4.789 1.00 10.00 C ATOM 61 O TRP A 5 1.586 10.458 -5.053 1.00 10.00 O ATOM 62 CB TRP A 5 -0.933 8.586 -4.950 1.00 10.00 C ATOM 63 CG TRP A 5 -2.095 7.987 -5.696 1.00 10.00 C ATOM 64 CD1 TRP A 5 -2.061 7.398 -6.916 1.00 10.00 C ATOM 65 CD2 TRP A 5 -3.497 7.941 -5.279 1.00 10.00 C ATOM 66 NE1 TRP A 5 -3.330 6.979 -7.269 1.00 10.00 N ATOM 67 CE2 TRP A 5 -4.256 7.292 -6.299 1.00 10.00 C ATOM 68 CE3 TRP A 5 -4.205 8.390 -4.142 1.00 10.00 C ATOM 69 CZ2 TRP A 5 -5.642 7.093 -6.197 1.00 10.00 C ATOM 70 CZ3 TRP A 5 -5.597 8.199 -4.030 1.00 10.00 C ATOM 71 CH2 TRP A 5 -6.315 7.551 -5.052 1.00 10.00 C ATOM 0 HA TRP A 5 0.484 8.763 -6.577 1.00 10.00 H new ATOM 0 HB2 TRP A 5 -0.926 8.163 -3.945 1.00 10.00 H new ATOM 0 HB3 TRP A 5 -1.118 9.655 -4.845 1.00 10.00 H new ATOM 0 HD1 TRP A 5 -1.175 7.275 -7.522 1.00 10.00 H new ATOM 0 HE1 TRP A 5 -3.553 6.498 -8.140 1.00 10.00 H new ATOM 0 HE3 TRP A 5 -3.671 8.888 -3.346 1.00 10.00 H new ATOM 0 HZ2 TRP A 5 -6.183 6.595 -6.988 1.00 10.00 H new ATOM 0 HZ3 TRP A 5 -6.117 8.553 -3.152 1.00 10.00 H new ATOM 0 HH2 TRP A 5 -7.381 7.406 -4.956 1.00 10.00 H new ATOM 82 N SER A 6 2.321 8.682 -3.918 1.00 10.00 N ATOM 83 CA SER A 6 3.464 9.356 -3.278 1.00 10.00 C ATOM 84 C SER A 6 4.495 9.936 -4.266 1.00 10.00 C ATOM 85 O SER A 6 5.202 10.885 -3.923 1.00 10.00 O ATOM 86 CB SER A 6 4.150 8.389 -2.308 1.00 10.00 C ATOM 87 OG SER A 6 4.524 7.190 -2.972 1.00 10.00 O ATOM 0 H SER A 6 2.217 7.709 -3.629 1.00 10.00 H new ATOM 0 HA SER A 6 3.054 10.214 -2.745 1.00 10.00 H new ATOM 0 HB2 SER A 6 5.033 8.863 -1.878 1.00 10.00 H new ATOM 0 HB3 SER A 6 3.478 8.158 -1.481 1.00 10.00 H new ATOM 0 HG SER A 6 4.962 6.587 -2.336 1.00 10.00 H new ATOM 93 N GLY A 7 4.545 9.435 -5.508 1.00 10.00 N ATOM 94 CA GLY A 7 5.386 9.960 -6.596 1.00 10.00 C ATOM 95 C GLY A 7 4.743 11.089 -7.423 1.00 10.00 C ATOM 96 O GLY A 7 5.408 11.670 -8.283 1.00 10.00 O ATOM 0 H GLY A 7 3.986 8.631 -5.793 1.00 10.00 H new ATOM 0 HA2 GLY A 7 6.319 10.328 -6.170 1.00 10.00 H new ATOM 0 HA3 GLY A 7 5.643 9.139 -7.266 1.00 10.00 H new ATOM 100 N TYR A 8 3.469 11.410 -7.163 1.00 10.00 N ATOM 101 CA TYR A 8 2.616 12.324 -7.930 1.00 10.00 C ATOM 102 C TYR A 8 1.717 13.207 -7.036 1.00 10.00 C ATOM 103 O TYR A 8 0.837 13.915 -7.528 1.00 10.00 O ATOM 104 CB TYR A 8 1.756 11.494 -8.902 1.00 10.00 C ATOM 105 CG TYR A 8 2.542 10.615 -9.860 1.00 10.00 C ATOM 106 CD1 TYR A 8 3.037 11.151 -11.065 1.00 10.00 C ATOM 107 CD2 TYR A 8 2.800 9.269 -9.533 1.00 10.00 C ATOM 108 CE1 TYR A 8 3.793 10.345 -11.940 1.00 10.00 C ATOM 109 CE2 TYR A 8 3.565 8.464 -10.398 1.00 10.00 C ATOM 110 CZ TYR A 8 4.062 8.998 -11.607 1.00 10.00 C ATOM 111 OH TYR A 8 4.796 8.211 -12.440 1.00 10.00 O ATOM 0 H TYR A 8 2.977 11.014 -6.362 1.00 10.00 H new ATOM 0 HA TYR A 8 3.264 13.009 -8.476 1.00 10.00 H new ATOM 0 HB2 TYR A 8 1.084 10.863 -8.321 1.00 10.00 H new ATOM 0 HB3 TYR A 8 1.133 12.173 -9.483 1.00 10.00 H new ATOM 0 HD1 TYR A 8 2.837 12.181 -11.319 1.00 10.00 H new ATOM 0 HD2 TYR A 8 2.410 8.854 -8.616 1.00 10.00 H new ATOM 0 HE1 TYR A 8 4.167 10.757 -12.866 1.00 10.00 H new ATOM 0 HE2 TYR A 8 3.772 7.437 -10.137 1.00 10.00 H new ATOM 0 HH TYR A 8 4.883 7.315 -12.052 1.00 10.00 H new ATOM 121 N LEU A 9 1.936 13.167 -5.717 1.00 10.00 N ATOM 122 CA LEU A 9 1.086 13.731 -4.665 1.00 10.00 C ATOM 123 C LEU A 9 0.601 15.158 -4.937 1.00 10.00 C ATOM 124 O LEU A 9 -0.598 15.431 -4.877 1.00 10.00 O ATOM 125 CB LEU A 9 1.854 13.604 -3.331 1.00 10.00 C ATOM 126 CG LEU A 9 1.164 14.245 -2.113 1.00 10.00 C ATOM 127 CD1 LEU A 9 -0.227 13.668 -1.869 1.00 10.00 C ATOM 128 CD2 LEU A 9 2.002 14.028 -0.853 1.00 10.00 C ATOM 0 H LEU A 9 2.764 12.711 -5.333 1.00 10.00 H new ATOM 0 HA LEU A 9 0.156 13.163 -4.626 1.00 10.00 H new ATOM 0 HB2 LEU A 9 2.015 12.546 -3.122 1.00 10.00 H new ATOM 0 HB3 LEU A 9 2.837 14.058 -3.452 1.00 10.00 H new ATOM 0 HG LEU A 9 1.068 15.308 -2.332 1.00 10.00 H new ATOM 0 HD11 LEU A 9 -0.674 14.151 -1.000 1.00 10.00 H new ATOM 0 HD12 LEU A 9 -0.853 13.844 -2.744 1.00 10.00 H new ATOM 0 HD13 LEU A 9 -0.150 12.596 -1.689 1.00 10.00 H new ATOM 0 HD21 LEU A 9 1.502 14.487 0.000 1.00 10.00 H new ATOM 0 HD22 LEU A 9 2.119 12.959 -0.674 1.00 10.00 H new ATOM 0 HD23 LEU A 9 2.983 14.483 -0.986 1.00 10.00 H new ATOM 140 N ASP A 10 1.518 16.049 -5.296 1.00 10.00 N ATOM 141 CA ASP A 10 1.240 17.475 -5.513 1.00 10.00 C ATOM 142 C ASP A 10 0.527 17.781 -6.858 1.00 10.00 C ATOM 143 O ASP A 10 0.431 18.932 -7.282 1.00 10.00 O ATOM 144 CB ASP A 10 2.567 18.240 -5.356 1.00 10.00 C ATOM 145 CG ASP A 10 2.390 19.764 -5.206 1.00 10.00 C ATOM 146 OD1 ASP A 10 1.654 20.201 -4.288 1.00 10.00 O ATOM 147 OD2 ASP A 10 3.044 20.530 -5.955 1.00 10.00 O ATOM 0 H ASP A 10 2.496 15.802 -5.449 1.00 10.00 H new ATOM 0 HA ASP A 10 0.522 17.811 -4.765 1.00 10.00 H new ATOM 0 HB2 ASP A 10 3.096 17.857 -4.483 1.00 10.00 H new ATOM 0 HB3 ASP A 10 3.196 18.040 -6.223 1.00 10.00 H new ATOM 152 N ASP A 11 0.015 16.752 -7.541 1.00 10.00 N ATOM 153 CA ASP A 11 -0.881 16.847 -8.705 1.00 10.00 C ATOM 154 C ASP A 11 -1.996 15.775 -8.668 1.00 10.00 C ATOM 155 O ASP A 11 -2.743 15.594 -9.630 1.00 10.00 O ATOM 156 CB ASP A 11 -0.059 16.777 -10.002 1.00 10.00 C ATOM 157 CG ASP A 11 -0.873 17.205 -11.238 1.00 10.00 C ATOM 158 OD1 ASP A 11 -1.354 18.362 -11.278 1.00 10.00 O ATOM 159 OD2 ASP A 11 -1.041 16.394 -12.182 1.00 10.00 O ATOM 0 H ASP A 11 0.221 15.785 -7.289 1.00 10.00 H new ATOM 0 HA ASP A 11 -1.389 17.811 -8.670 1.00 10.00 H new ATOM 0 HB2 ASP A 11 0.818 17.418 -9.908 1.00 10.00 H new ATOM 0 HB3 ASP A 11 0.304 15.759 -10.144 1.00 10.00 H new ATOM 164 N VAL A 12 -2.147 15.083 -7.535 1.00 10.00 N ATOM 165 CA VAL A 12 -3.218 14.132 -7.235 1.00 10.00 C ATOM 166 C VAL A 12 -4.051 14.612 -6.055 1.00 10.00 C ATOM 167 O VAL A 12 -5.242 14.884 -6.201 1.00 10.00 O ATOM 168 CB VAL A 12 -2.625 12.728 -6.984 1.00 10.00 C ATOM 169 CG1 VAL A 12 -3.644 11.725 -6.435 1.00 10.00 C ATOM 170 CG2 VAL A 12 -2.024 12.176 -8.279 1.00 10.00 C ATOM 0 H VAL A 12 -1.489 15.177 -6.761 1.00 10.00 H new ATOM 0 HA VAL A 12 -3.885 14.066 -8.095 1.00 10.00 H new ATOM 0 HB VAL A 12 -1.856 12.853 -6.222 1.00 10.00 H new ATOM 0 HG11 VAL A 12 -3.159 10.761 -6.282 1.00 10.00 H new ATOM 0 HG12 VAL A 12 -4.037 12.088 -5.485 1.00 10.00 H new ATOM 0 HG13 VAL A 12 -4.462 11.611 -7.146 1.00 10.00 H new ATOM 0 HG21 VAL A 12 -1.608 11.186 -8.094 1.00 10.00 H new ATOM 0 HG22 VAL A 12 -2.801 12.107 -9.040 1.00 10.00 H new ATOM 0 HG23 VAL A 12 -1.234 12.842 -8.627 1.00 10.00 H new ATOM 180 N SER A 13 -3.405 14.799 -4.906 1.00 10.00 N ATOM 181 CA SER A 13 -3.987 15.454 -3.745 1.00 10.00 C ATOM 182 C SER A 13 -4.248 16.920 -4.046 1.00 10.00 C ATOM 183 O SER A 13 -5.354 17.427 -3.876 1.00 10.00 O ATOM 184 CB SER A 13 -3.025 15.341 -2.566 1.00 10.00 C ATOM 185 OG SER A 13 -3.573 15.949 -1.410 1.00 10.00 O ATOM 0 H SER A 13 -2.444 14.492 -4.757 1.00 10.00 H new ATOM 0 HA SER A 13 -4.932 14.969 -3.499 1.00 10.00 H new ATOM 0 HB2 SER A 13 -2.812 14.291 -2.364 1.00 10.00 H new ATOM 0 HB3 SER A 13 -2.077 15.816 -2.818 1.00 10.00 H new ATOM 0 HG SER A 13 -2.942 15.864 -0.665 1.00 10.00 H new ATOM 191 N ALA A 14 -3.229 17.605 -4.564 1.00 10.00 N ATOM 192 CA ALA A 14 -3.296 19.044 -4.718 1.00 10.00 C ATOM 193 C ALA A 14 -4.188 19.512 -5.881 1.00 10.00 C ATOM 194 O ALA A 14 -4.746 20.610 -5.832 1.00 10.00 O ATOM 195 CB ALA A 14 -1.900 19.601 -4.827 1.00 10.00 C ATOM 0 H ALA A 14 -2.356 17.183 -4.880 1.00 10.00 H new ATOM 0 HA ALA A 14 -3.782 19.439 -3.826 1.00 10.00 H new ATOM 0 HB1 ALA A 14 -1.948 20.684 -4.943 1.00 10.00 H new ATOM 0 HB2 ALA A 14 -1.340 19.357 -3.924 1.00 10.00 H new ATOM 0 HB3 ALA A 14 -1.401 19.165 -5.693 1.00 10.00 H new ATOM 201 N LYS A 15 -4.361 18.659 -6.903 1.00 10.00 N ATOM 202 CA LYS A 15 -5.335 18.825 -7.990 1.00 10.00 C ATOM 203 C LYS A 15 -6.741 19.053 -7.427 1.00 10.00 C ATOM 204 O LYS A 15 -7.464 19.941 -7.881 1.00 10.00 O ATOM 205 CB LYS A 15 -5.228 17.603 -8.915 1.00 10.00 C ATOM 206 CG LYS A 15 -6.302 17.516 -10.011 1.00 10.00 C ATOM 207 CD LYS A 15 -5.942 16.456 -11.067 1.00 10.00 C ATOM 208 CE LYS A 15 -4.756 16.900 -11.945 1.00 10.00 C ATOM 209 NZ LYS A 15 -3.809 15.787 -12.201 1.00 10.00 N ATOM 0 H LYS A 15 -3.808 17.807 -6.997 1.00 10.00 H new ATOM 0 HA LYS A 15 -5.118 19.714 -8.582 1.00 10.00 H new ATOM 0 HB2 LYS A 15 -4.247 17.612 -9.390 1.00 10.00 H new ATOM 0 HB3 LYS A 15 -5.279 16.701 -8.306 1.00 10.00 H new ATOM 0 HG2 LYS A 15 -7.264 17.271 -9.561 1.00 10.00 H new ATOM 0 HG3 LYS A 15 -6.413 18.488 -10.492 1.00 10.00 H new ATOM 0 HD2 LYS A 15 -5.695 15.518 -10.570 1.00 10.00 H new ATOM 0 HD3 LYS A 15 -6.809 16.263 -11.699 1.00 10.00 H new ATOM 0 HE2 LYS A 15 -5.131 17.283 -12.894 1.00 10.00 H new ATOM 0 HE3 LYS A 15 -4.229 17.719 -11.456 1.00 10.00 H new ATOM 0 HZ1 LYS A 15 -2.940 16.163 -12.632 1.00 10.00 H new ATOM 0 HZ2 LYS A 15 -3.575 15.317 -11.303 1.00 10.00 H new ATOM 0 HZ3 LYS A 15 -4.247 15.100 -12.848 1.00 10.00 H new ATOM 223 N PHE A 16 -7.082 18.293 -6.388 1.00 10.00 N ATOM 224 CA PHE A 16 -8.261 18.498 -5.566 1.00 10.00 C ATOM 225 C PHE A 16 -8.094 19.736 -4.664 1.00 10.00 C ATOM 226 O PHE A 16 -8.893 20.665 -4.740 1.00 10.00 O ATOM 227 CB PHE A 16 -8.560 17.217 -4.762 1.00 10.00 C ATOM 228 CG PHE A 16 -9.129 17.441 -3.372 1.00 10.00 C ATOM 229 CD1 PHE A 16 -10.465 17.852 -3.219 1.00 10.00 C ATOM 230 CD2 PHE A 16 -8.309 17.294 -2.235 1.00 10.00 C ATOM 231 CE1 PHE A 16 -10.988 18.087 -1.936 1.00 10.00 C ATOM 232 CE2 PHE A 16 -8.831 17.535 -0.952 1.00 10.00 C ATOM 233 CZ PHE A 16 -10.174 17.926 -0.801 1.00 10.00 C ATOM 0 H PHE A 16 -6.524 17.493 -6.090 1.00 10.00 H new ATOM 0 HA PHE A 16 -9.121 18.698 -6.206 1.00 10.00 H new ATOM 0 HB2 PHE A 16 -9.262 16.607 -5.330 1.00 10.00 H new ATOM 0 HB3 PHE A 16 -7.639 16.642 -4.671 1.00 10.00 H new ATOM 0 HD1 PHE A 16 -11.090 17.987 -4.089 1.00 10.00 H new ATOM 0 HD2 PHE A 16 -7.277 16.996 -2.350 1.00 10.00 H new ATOM 0 HE1 PHE A 16 -12.018 18.392 -1.822 1.00 10.00 H new ATOM 0 HE2 PHE A 16 -8.201 17.420 -0.082 1.00 10.00 H new ATOM 0 HZ PHE A 16 -10.579 18.102 0.185 1.00 10.00 H new ATOM 243 N ASP A 17 -7.030 19.791 -3.855 1.00 10.00 N ATOM 244 CA ASP A 17 -6.867 20.788 -2.789 1.00 10.00 C ATOM 245 C ASP A 17 -6.852 22.262 -3.224 1.00 10.00 C ATOM 246 O ASP A 17 -7.283 23.127 -2.464 1.00 10.00 O ATOM 247 CB ASP A 17 -5.625 20.460 -1.952 1.00 10.00 C ATOM 248 CG ASP A 17 -5.592 21.234 -0.622 1.00 10.00 C ATOM 249 OD1 ASP A 17 -6.418 20.938 0.274 1.00 10.00 O ATOM 250 OD2 ASP A 17 -4.711 22.112 -0.454 1.00 10.00 O ATOM 0 H ASP A 17 -6.249 19.138 -3.922 1.00 10.00 H new ATOM 0 HA ASP A 17 -7.777 20.703 -2.195 1.00 10.00 H new ATOM 0 HB2 ASP A 17 -5.601 19.390 -1.747 1.00 10.00 H new ATOM 0 HB3 ASP A 17 -4.730 20.695 -2.528 1.00 10.00 H new ATOM 255 N THR A 18 -6.398 22.569 -4.441 1.00 10.00 N ATOM 256 CA THR A 18 -6.384 23.933 -4.978 1.00 10.00 C ATOM 257 C THR A 18 -7.684 24.306 -5.710 1.00 10.00 C ATOM 258 O THR A 18 -8.110 25.462 -5.679 1.00 10.00 O ATOM 259 CB THR A 18 -5.138 24.140 -5.853 1.00 10.00 C ATOM 260 OG1 THR A 18 -4.757 25.501 -5.875 1.00 10.00 O ATOM 261 CG2 THR A 18 -5.338 23.703 -7.299 1.00 10.00 C ATOM 0 H THR A 18 -6.027 21.873 -5.087 1.00 10.00 H new ATOM 0 HA THR A 18 -6.329 24.621 -4.134 1.00 10.00 H new ATOM 0 HB THR A 18 -4.366 23.519 -5.399 1.00 10.00 H new ATOM 0 HG1 THR A 18 -3.961 25.609 -6.437 1.00 10.00 H new ATOM 0 HG21 THR A 18 -4.421 23.876 -7.862 1.00 10.00 H new ATOM 0 HG22 THR A 18 -5.586 22.642 -7.327 1.00 10.00 H new ATOM 0 HG23 THR A 18 -6.150 24.278 -7.744 1.00 10.00 H new ATOM 269 N GLY A 19 -8.360 23.328 -6.328 1.00 10.00 N ATOM 270 CA GLY A 19 -9.633 23.537 -7.033 1.00 10.00 C ATOM 271 C GLY A 19 -10.810 23.599 -6.066 1.00 10.00 C ATOM 272 O GLY A 19 -11.657 24.485 -6.186 1.00 10.00 O ATOM 0 H GLY A 19 -8.036 22.361 -6.353 1.00 10.00 H new ATOM 0 HA2 GLY A 19 -9.584 24.463 -7.606 1.00 10.00 H new ATOM 0 HA3 GLY A 19 -9.791 22.728 -7.747 1.00 10.00 H new ATOM 292 N ASP A 21 -10.444 24.660 -3.100 1.00 10.00 N ATOM 293 CA ASP A 21 -10.190 25.923 -2.446 1.00 10.00 C ATOM 294 C ASP A 21 -10.725 27.133 -3.210 1.00 10.00 C ATOM 295 O ASP A 21 -11.078 28.116 -2.571 1.00 10.00 O ATOM 296 CB ASP A 21 -8.712 25.992 -2.098 1.00 10.00 C ATOM 297 CG ASP A 21 -8.243 27.378 -1.626 1.00 10.00 C ATOM 298 OD1 ASP A 21 -8.452 27.712 -0.435 1.00 10.00 O ATOM 299 OD2 ASP A 21 -7.634 28.122 -2.431 1.00 10.00 O ATOM 0 HA ASP A 21 -10.762 25.970 -1.519 1.00 10.00 H new ATOM 0 HB2 ASP A 21 -8.499 25.263 -1.317 1.00 10.00 H new ATOM 0 HB3 ASP A 21 -8.130 25.701 -2.972 1.00 10.00 H new ATOM 304 N ASN A 22 -10.909 27.064 -4.530 1.00 10.00 N ATOM 305 CA ASN A 22 -11.628 28.105 -5.258 1.00 10.00 C ATOM 306 C ASN A 22 -13.128 28.111 -4.940 1.00 10.00 C ATOM 307 O ASN A 22 -13.795 29.143 -5.063 1.00 10.00 O ATOM 308 CB ASN A 22 -11.497 27.880 -6.768 1.00 10.00 C ATOM 309 CG ASN A 22 -10.087 28.047 -7.313 1.00 10.00 C ATOM 310 OD1 ASN A 22 -9.296 28.862 -6.855 1.00 10.00 O ATOM 311 ND2 ASN A 22 -9.733 27.300 -8.335 1.00 10.00 N ATOM 0 H ASN A 22 -10.570 26.299 -5.113 1.00 10.00 H new ATOM 0 HA ASN A 22 -11.185 29.052 -4.949 1.00 10.00 H new ATOM 0 HB2 ASN A 22 -11.847 26.875 -7.004 1.00 10.00 H new ATOM 0 HB3 ASN A 22 -12.157 28.577 -7.285 1.00 10.00 H new ATOM 0 HD21 ASN A 22 -8.803 27.401 -8.743 1.00 10.00 H new ATOM 0 HD22 ASN A 22 -10.388 26.620 -8.720 1.00 10.00 H new ATOM 318 N LEU A 23 -13.675 26.952 -4.576 1.00 10.00 N ATOM 319 CA LEU A 23 -15.011 26.830 -4.039 1.00 10.00 C ATOM 320 C LEU A 23 -15.073 27.173 -2.547 1.00 10.00 C ATOM 321 O LEU A 23 -15.915 27.959 -2.135 1.00 10.00 O ATOM 322 CB LEU A 23 -15.615 25.476 -4.429 1.00 10.00 C ATOM 323 CG LEU A 23 -16.984 25.679 -5.110 1.00 10.00 C ATOM 324 CD1 LEU A 23 -17.946 26.441 -4.216 1.00 10.00 C ATOM 325 CD2 LEU A 23 -17.118 26.363 -6.468 1.00 10.00 C ATOM 0 H LEU A 23 -13.185 26.061 -4.651 1.00 10.00 H new ATOM 0 HA LEU A 23 -15.653 27.584 -4.495 1.00 10.00 H new ATOM 0 HB2 LEU A 23 -14.940 24.949 -5.103 1.00 10.00 H new ATOM 0 HB3 LEU A 23 -15.731 24.852 -3.543 1.00 10.00 H new ATOM 0 HG LEU A 23 -17.198 24.626 -5.291 1.00 10.00 H new ATOM 0 HD11 LEU A 23 -18.899 26.565 -4.730 1.00 10.00 H new ATOM 0 HD12 LEU A 23 -18.101 25.885 -3.291 1.00 10.00 H new ATOM 0 HD13 LEU A 23 -17.529 27.421 -3.984 1.00 10.00 H new ATOM 0 HD21 LEU A 23 -18.169 26.398 -6.756 1.00 10.00 H new ATOM 0 HD22 LEU A 23 -16.725 27.378 -6.405 1.00 10.00 H new ATOM 0 HD23 LEU A 23 -16.556 25.802 -7.215 1.00 10.00 H new ATOM 337 N GLN A 24 -14.125 26.674 -1.758 1.00 10.00 N ATOM 338 CA GLN A 24 -13.951 26.925 -0.335 1.00 10.00 C ATOM 339 C GLN A 24 -13.792 28.411 -0.042 1.00 10.00 C ATOM 340 O GLN A 24 -14.453 28.910 0.853 1.00 10.00 O ATOM 341 CB GLN A 24 -12.703 26.194 0.169 1.00 10.00 C ATOM 342 CG GLN A 24 -12.675 25.965 1.674 1.00 10.00 C ATOM 343 CD GLN A 24 -13.672 24.910 2.154 1.00 10.00 C ATOM 344 OE1 GLN A 24 -13.721 23.787 1.670 1.00 10.00 O ATOM 345 NE2 GLN A 24 -14.502 25.223 3.127 1.00 10.00 N ATOM 0 H GLN A 24 -13.412 26.042 -2.123 1.00 10.00 H new ATOM 0 HA GLN A 24 -14.843 26.561 0.174 1.00 10.00 H new ATOM 0 HB2 GLN A 24 -12.633 25.230 -0.335 1.00 10.00 H new ATOM 0 HB3 GLN A 24 -11.821 26.767 -0.116 1.00 10.00 H new ATOM 0 HG2 GLN A 24 -11.670 25.663 1.968 1.00 10.00 H new ATOM 0 HG3 GLN A 24 -12.885 26.907 2.180 1.00 10.00 H new ATOM 0 HE21 GLN A 24 -14.474 26.155 3.541 1.00 10.00 H new ATOM 0 HE22 GLN A 24 -15.173 24.534 3.467 1.00 10.00 H new ATOM 354 N THR A 25 -12.952 29.129 -0.789 1.00 10.00 N ATOM 355 CA THR A 25 -12.758 30.574 -0.661 1.00 10.00 C ATOM 356 C THR A 25 -14.090 31.288 -0.835 1.00 10.00 C ATOM 357 O THR A 25 -14.524 32.047 0.023 1.00 10.00 O ATOM 358 CB THR A 25 -11.658 31.062 -1.620 1.00 10.00 C ATOM 359 OG1 THR A 25 -11.198 32.334 -1.222 1.00 10.00 O ATOM 360 CG2 THR A 25 -12.016 31.123 -3.101 1.00 10.00 C ATOM 0 H THR A 25 -12.373 28.711 -1.518 1.00 10.00 H new ATOM 0 HA THR A 25 -12.402 30.818 0.340 1.00 10.00 H new ATOM 0 HB THR A 25 -10.890 30.292 -1.539 1.00 10.00 H new ATOM 0 HG1 THR A 25 -10.497 32.636 -1.837 1.00 10.00 H new ATOM 0 HG21 THR A 25 -11.157 31.482 -3.668 1.00 10.00 H new ATOM 0 HG22 THR A 25 -12.291 30.128 -3.450 1.00 10.00 H new ATOM 0 HG23 THR A 25 -12.856 31.803 -3.245 1.00 10.00 H new ATOM 368 N GLN A 26 -14.828 30.891 -1.865 1.00 10.00 N ATOM 369 CA GLN A 26 -16.189 31.328 -2.142 1.00 10.00 C ATOM 370 C GLN A 26 -17.192 31.042 -1.013 1.00 10.00 C ATOM 371 O GLN A 26 -17.879 31.963 -0.569 1.00 10.00 O ATOM 372 CB GLN A 26 -16.627 30.696 -3.476 1.00 10.00 C ATOM 373 CG GLN A 26 -16.717 31.739 -4.593 1.00 10.00 C ATOM 374 CD GLN A 26 -16.989 31.103 -5.953 1.00 10.00 C ATOM 375 OE1 GLN A 26 -18.049 31.279 -6.541 1.00 10.00 O ATOM 376 NE2 GLN A 26 -16.079 30.318 -6.491 1.00 10.00 N ATOM 0 H GLN A 26 -14.479 30.229 -2.558 1.00 10.00 H new ATOM 0 HA GLN A 26 -16.186 32.416 -2.213 1.00 10.00 H new ATOM 0 HB2 GLN A 26 -15.918 29.918 -3.760 1.00 10.00 H new ATOM 0 HB3 GLN A 26 -17.596 30.213 -3.349 1.00 10.00 H new ATOM 0 HG2 GLN A 26 -17.510 32.450 -4.361 1.00 10.00 H new ATOM 0 HG3 GLN A 26 -15.785 32.303 -4.637 1.00 10.00 H new ATOM 0 HE21 GLN A 26 -15.192 30.163 -6.012 1.00 10.00 H new ATOM 0 HE22 GLN A 26 -16.261 29.865 -7.387 1.00 10.00 H new ATOM 385 N VAL A 27 -17.281 29.804 -0.511 1.00 10.00 N ATOM 386 CA VAL A 27 -18.181 29.478 0.601 1.00 10.00 C ATOM 387 C VAL A 27 -17.761 30.201 1.871 1.00 10.00 C ATOM 388 O VAL A 27 -18.591 30.663 2.641 1.00 10.00 O ATOM 389 CB VAL A 27 -18.338 27.977 0.918 1.00 10.00 C ATOM 390 CG1 VAL A 27 -18.287 27.083 -0.318 1.00 10.00 C ATOM 391 CG2 VAL A 27 -17.392 27.348 1.944 1.00 10.00 C ATOM 0 H VAL A 27 -16.740 29.012 -0.858 1.00 10.00 H new ATOM 0 HA VAL A 27 -19.155 29.819 0.251 1.00 10.00 H new ATOM 0 HB VAL A 27 -19.329 28.008 1.372 1.00 10.00 H new ATOM 0 HG11 VAL A 27 -18.404 26.041 -0.019 1.00 10.00 H new ATOM 0 HG12 VAL A 27 -19.093 27.358 -0.999 1.00 10.00 H new ATOM 0 HG13 VAL A 27 -17.328 27.211 -0.820 1.00 10.00 H new ATOM 0 HG21 VAL A 27 -17.629 26.290 2.056 1.00 10.00 H new ATOM 0 HG22 VAL A 27 -16.362 27.455 1.603 1.00 10.00 H new ATOM 0 HG23 VAL A 27 -17.511 27.850 2.904 1.00 10.00 H new ATOM 401 N THR A 28 -16.456 30.321 2.090 1.00 10.00 N ATOM 402 CA THR A 28 -15.896 31.010 3.237 1.00 10.00 C ATOM 403 C THR A 28 -16.160 32.496 3.163 1.00 10.00 C ATOM 404 O THR A 28 -16.235 33.149 4.189 1.00 10.00 O ATOM 405 CB THR A 28 -14.389 30.847 3.365 1.00 10.00 C ATOM 406 OG1 THR A 28 -14.004 29.490 3.381 1.00 10.00 O ATOM 407 CG2 THR A 28 -13.912 31.444 4.674 1.00 10.00 C ATOM 0 H THR A 28 -15.750 29.935 1.463 1.00 10.00 H new ATOM 0 HA THR A 28 -16.385 30.553 4.097 1.00 10.00 H new ATOM 0 HB THR A 28 -13.950 31.349 2.503 1.00 10.00 H new ATOM 0 HG1 THR A 28 -13.838 29.186 2.464 1.00 10.00 H new ATOM 0 HG21 THR A 28 -12.832 31.323 4.757 1.00 10.00 H new ATOM 0 HG22 THR A 28 -14.161 32.505 4.702 1.00 10.00 H new ATOM 0 HG23 THR A 28 -14.399 30.934 5.505 1.00 10.00 H new ATOM 415 N GLU A 29 -16.306 33.071 1.980 1.00 10.00 N ATOM 416 CA GLU A 29 -16.672 34.462 1.870 1.00 10.00 C ATOM 417 C GLU A 29 -18.186 34.660 2.096 1.00 10.00 C ATOM 418 O GLU A 29 -18.597 35.695 2.610 1.00 10.00 O ATOM 419 CB GLU A 29 -16.160 35.050 0.574 1.00 10.00 C ATOM 420 CG GLU A 29 -14.637 35.231 0.620 1.00 10.00 C ATOM 421 CD GLU A 29 -14.100 35.926 -0.646 1.00 10.00 C ATOM 422 OE1 GLU A 29 -14.359 35.451 -1.780 1.00 10.00 O ATOM 423 OE2 GLU A 29 -13.410 36.968 -0.521 1.00 10.00 O ATOM 0 H GLU A 29 -16.176 32.592 1.089 1.00 10.00 H new ATOM 0 HA GLU A 29 -16.184 35.024 2.667 1.00 10.00 H new ATOM 0 HB2 GLU A 29 -16.428 34.398 -0.257 1.00 10.00 H new ATOM 0 HB3 GLU A 29 -16.639 36.012 0.392 1.00 10.00 H new ATOM 0 HG2 GLU A 29 -14.368 35.818 1.498 1.00 10.00 H new ATOM 0 HG3 GLU A 29 -14.159 34.257 0.729 1.00 10.00 H new ATOM 430 N ALA A 30 -19.033 33.673 1.780 1.00 10.00 N ATOM 431 CA ALA A 30 -20.435 33.666 2.199 1.00 10.00 C ATOM 432 C ALA A 30 -20.507 33.558 3.728 1.00 10.00 C ATOM 433 O ALA A 30 -21.279 34.245 4.396 1.00 10.00 O ATOM 434 CB ALA A 30 -21.162 32.483 1.554 1.00 10.00 C ATOM 0 H ALA A 30 -18.764 32.859 1.227 1.00 10.00 H new ATOM 0 HA ALA A 30 -20.916 34.591 1.880 1.00 10.00 H new ATOM 0 HB1 ALA A 30 -22.206 32.482 1.869 1.00 10.00 H new ATOM 0 HB2 ALA A 30 -21.110 32.572 0.469 1.00 10.00 H new ATOM 0 HB3 ALA A 30 -20.688 31.552 1.864 1.00 10.00 H new ATOM 440 N LEU A 31 -19.630 32.734 4.288 1.00 10.00 N ATOM 441 CA LEU A 31 -19.369 32.623 5.703 1.00 10.00 C ATOM 442 C LEU A 31 -18.707 33.871 6.300 1.00 10.00 C ATOM 443 O LEU A 31 -18.953 34.169 7.451 1.00 10.00 O ATOM 444 CB LEU A 31 -18.477 31.408 5.912 1.00 10.00 C ATOM 445 CG LEU A 31 -18.308 31.047 7.383 1.00 10.00 C ATOM 446 CD1 LEU A 31 -19.507 30.241 7.862 1.00 10.00 C ATOM 447 CD2 LEU A 31 -17.000 30.288 7.502 1.00 10.00 C ATOM 0 H LEU A 31 -19.058 32.097 3.734 1.00 10.00 H new ATOM 0 HA LEU A 31 -20.323 32.518 6.220 1.00 10.00 H new ATOM 0 HB2 LEU A 31 -18.900 30.556 5.380 1.00 10.00 H new ATOM 0 HB3 LEU A 31 -17.497 31.602 5.475 1.00 10.00 H new ATOM 0 HG LEU A 31 -18.267 31.930 8.020 1.00 10.00 H new ATOM 0 HD11 LEU A 31 -19.378 29.987 8.914 1.00 10.00 H new ATOM 0 HD12 LEU A 31 -20.415 30.832 7.740 1.00 10.00 H new ATOM 0 HD13 LEU A 31 -19.588 29.326 7.275 1.00 10.00 H new ATOM 0 HD21 LEU A 31 -16.836 30.007 8.542 1.00 10.00 H new ATOM 0 HD22 LEU A 31 -17.043 29.390 6.886 1.00 10.00 H new ATOM 0 HD23 LEU A 31 -16.180 30.921 7.163 1.00 10.00 H new ATOM 459 N ASP A 32 -17.912 34.646 5.567 1.00 10.00 N ATOM 460 CA ASP A 32 -17.382 35.928 6.028 1.00 10.00 C ATOM 461 C ASP A 32 -18.551 36.866 6.359 1.00 10.00 C ATOM 462 O ASP A 32 -18.492 37.632 7.323 1.00 10.00 O ATOM 463 CB ASP A 32 -16.390 36.501 4.998 1.00 10.00 C ATOM 464 CG ASP A 32 -15.970 37.942 5.328 1.00 10.00 C ATOM 465 OD1 ASP A 32 -15.130 38.135 6.241 1.00 10.00 O ATOM 466 OD2 ASP A 32 -16.461 38.881 4.656 1.00 10.00 O ATOM 0 H ASP A 32 -17.613 34.399 4.624 1.00 10.00 H new ATOM 0 HA ASP A 32 -16.808 35.801 6.946 1.00 10.00 H new ATOM 0 HB2 ASP A 32 -15.504 35.867 4.959 1.00 10.00 H new ATOM 0 HB3 ASP A 32 -16.844 36.476 4.007 1.00 10.00 H new ATOM 471 N LYS A 33 -19.669 36.708 5.633 1.00 10.00 N ATOM 472 CA LYS A 33 -20.942 37.331 5.927 1.00 10.00 C ATOM 473 C LYS A 33 -21.637 36.640 7.107 1.00 10.00 C ATOM 474 O LYS A 33 -22.186 37.294 7.988 1.00 10.00 O ATOM 475 CB LYS A 33 -21.852 37.391 4.700 1.00 10.00 C ATOM 476 CG LYS A 33 -21.273 37.519 3.288 1.00 10.00 C ATOM 477 CD LYS A 33 -20.051 38.428 3.117 1.00 10.00 C ATOM 478 CE LYS A 33 -19.754 38.606 1.630 1.00 10.00 C ATOM 479 NZ LYS A 33 -18.588 39.502 1.421 1.00 10.00 N ATOM 0 H LYS A 33 -19.699 36.121 4.800 1.00 10.00 H new ATOM 0 HA LYS A 33 -20.735 38.361 6.216 1.00 10.00 H new ATOM 0 HB2 LYS A 33 -22.463 36.489 4.713 1.00 10.00 H new ATOM 0 HB3 LYS A 33 -22.527 38.235 4.845 1.00 10.00 H new ATOM 0 HG2 LYS A 33 -21.004 36.521 2.940 1.00 10.00 H new ATOM 0 HG3 LYS A 33 -22.062 37.884 2.630 1.00 10.00 H new ATOM 0 HD2 LYS A 33 -20.237 39.397 3.580 1.00 10.00 H new ATOM 0 HD3 LYS A 33 -19.188 37.994 3.622 1.00 10.00 H new ATOM 0 HE2 LYS A 33 -19.556 37.635 1.177 1.00 10.00 H new ATOM 0 HE3 LYS A 33 -20.629 39.019 1.128 1.00 10.00 H new ATOM 0 HZ1 LYS A 33 -18.408 39.606 0.402 1.00 10.00 H new ATOM 0 HZ2 LYS A 33 -18.789 40.435 1.834 1.00 10.00 H new ATOM 0 HZ3 LYS A 33 -17.749 39.093 1.881 1.00 10.00 H new ATOM 493 N LEU A 34 -21.654 35.305 7.129 1.00 10.00 N ATOM 494 CA LEU A 34 -22.378 34.518 8.139 1.00 10.00 C ATOM 495 C LEU A 34 -21.688 34.578 9.512 1.00 10.00 C ATOM 496 O LEU A 34 -22.272 34.302 10.545 1.00 10.00 O ATOM 497 CB LEU A 34 -22.620 33.100 7.616 1.00 10.00 C ATOM 498 CG LEU A 34 -24.051 32.567 7.837 1.00 10.00 C ATOM 499 CD1 LEU A 34 -24.249 31.355 6.981 1.00 10.00 C ATOM 500 CD2 LEU A 34 -24.500 32.069 9.192 1.00 10.00 C ATOM 0 H LEU A 34 -21.163 34.732 6.442 1.00 10.00 H new ATOM 0 HA LEU A 34 -23.360 34.960 8.309 1.00 10.00 H new ATOM 0 HB2 LEU A 34 -22.400 33.078 6.549 1.00 10.00 H new ATOM 0 HB3 LEU A 34 -21.916 32.424 8.101 1.00 10.00 H new ATOM 0 HG LEU A 34 -24.620 33.473 7.630 1.00 10.00 H new ATOM 0 HD11 LEU A 34 -25.257 30.967 7.127 1.00 10.00 H new ATOM 0 HD12 LEU A 34 -24.112 31.623 5.933 1.00 10.00 H new ATOM 0 HD13 LEU A 34 -23.523 30.591 7.258 1.00 10.00 H new ATOM 0 HD21 LEU A 34 -25.537 31.739 9.133 1.00 10.00 H new ATOM 0 HD22 LEU A 34 -23.871 31.234 9.500 1.00 10.00 H new ATOM 0 HD23 LEU A 34 -24.416 32.874 9.922 1.00 10.00 H new ATOM 512 N ALA A 35 -20.417 34.937 9.538 1.00 10.00 N ATOM 513 CA ALA A 35 -19.653 35.268 10.719 1.00 10.00 C ATOM 514 C ALA A 35 -19.924 36.749 11.148 1.00 10.00 C ATOM 515 O ALA A 35 -19.747 37.096 12.318 1.00 10.00 O ATOM 516 CB ALA A 35 -18.193 34.910 10.397 1.00 10.00 C ATOM 0 H ALA A 35 -19.862 35.008 8.685 1.00 10.00 H new ATOM 0 HA ALA A 35 -19.944 34.700 11.603 1.00 10.00 H new ATOM 0 HB1 ALA A 35 -17.564 35.139 11.257 1.00 10.00 H new ATOM 0 HB2 ALA A 35 -18.121 33.847 10.168 1.00 10.00 H new ATOM 0 HB3 ALA A 35 -17.857 35.490 9.537 1.00 10.00 H new ATOM 522 N ALA A 36 -20.373 37.617 10.215 1.00 10.00 N ATOM 523 CA ALA A 36 -20.738 39.037 10.403 1.00 10.00 C ATOM 524 C ALA A 36 -22.150 39.309 10.984 1.00 10.00 C ATOM 525 O ALA A 36 -22.287 40.047 11.963 1.00 10.00 O ATOM 526 CB ALA A 36 -20.548 39.788 9.066 1.00 10.00 C ATOM 0 H ALA A 36 -20.498 37.324 9.246 1.00 10.00 H new ATOM 0 HA ALA A 36 -20.064 39.410 11.174 1.00 10.00 H new ATOM 0 HB1 ALA A 36 -20.815 40.837 9.197 1.00 10.00 H new ATOM 0 HB2 ALA A 36 -19.507 39.715 8.753 1.00 10.00 H new ATOM 0 HB3 ALA A 36 -21.188 39.343 8.304 1.00 10.00 H new ATOM 532 N LYS A 37 -23.196 38.722 10.383 1.00 10.00 N ATOM 533 CA LYS A 37 -24.640 38.901 10.705 1.00 10.00 C ATOM 534 C LYS A 37 -25.373 37.545 10.582 1.00 10.00 C ATOM 535 O LYS A 37 -26.421 37.445 9.947 1.00 10.00 O ATOM 536 CB LYS A 37 -25.195 39.882 9.669 1.00 10.00 C ATOM 537 CG LYS A 37 -26.531 40.552 10.020 1.00 10.00 C ATOM 538 CD LYS A 37 -27.146 41.178 8.760 1.00 10.00 C ATOM 539 CE LYS A 37 -26.407 42.449 8.320 1.00 10.00 C ATOM 540 NZ LYS A 37 -27.045 43.060 7.124 1.00 10.00 N ATOM 0 H LYS A 37 -23.060 38.069 9.612 1.00 10.00 H new ATOM 0 HA LYS A 37 -24.778 39.273 11.720 1.00 10.00 H new ATOM 0 HB2 LYS A 37 -24.453 40.663 9.504 1.00 10.00 H new ATOM 0 HB3 LYS A 37 -25.315 39.352 8.724 1.00 10.00 H new ATOM 0 HG2 LYS A 37 -27.216 39.818 10.444 1.00 10.00 H new ATOM 0 HG3 LYS A 37 -26.376 41.319 10.779 1.00 10.00 H new ATOM 0 HD2 LYS A 37 -27.126 40.450 7.949 1.00 10.00 H new ATOM 0 HD3 LYS A 37 -28.193 41.416 8.949 1.00 10.00 H new ATOM 0 HE2 LYS A 37 -26.399 43.169 9.138 1.00 10.00 H new ATOM 0 HE3 LYS A 37 -25.367 42.209 8.097 1.00 10.00 H new ATOM 0 HZ1 LYS A 37 -26.522 43.917 6.851 1.00 10.00 H new ATOM 0 HZ2 LYS A 37 -27.030 42.380 6.337 1.00 10.00 H new ATOM 0 HZ3 LYS A 37 -28.030 43.311 7.346 1.00 10.00 H new ATOM 554 N PRO A 38 -24.839 36.482 11.191 1.00 10.00 N ATOM 555 CA PRO A 38 -25.206 35.102 10.952 1.00 10.00 C ATOM 556 C PRO A 38 -26.493 34.676 10.260 1.00 10.00 C ATOM 557 O PRO A 38 -26.487 34.490 9.047 1.00 10.00 O ATOM 558 CB PRO A 38 -24.784 34.275 12.159 1.00 10.00 C ATOM 559 CG PRO A 38 -23.950 35.224 13.027 1.00 10.00 C ATOM 560 CD PRO A 38 -23.849 36.536 12.250 1.00 10.00 C ATOM 0 HA PRO A 38 -24.641 34.868 10.050 1.00 10.00 H new ATOM 0 HB2 PRO A 38 -25.652 33.903 12.704 1.00 10.00 H new ATOM 0 HB3 PRO A 38 -24.202 33.405 11.856 1.00 10.00 H new ATOM 0 HG2 PRO A 38 -24.423 35.381 13.996 1.00 10.00 H new ATOM 0 HG3 PRO A 38 -22.961 34.808 13.219 1.00 10.00 H new ATOM 0 HD2 PRO A 38 -24.033 37.387 12.906 1.00 10.00 H new ATOM 0 HD3 PRO A 38 -22.849 36.662 11.836 1.00 10.00 H new ATOM 568 N SER A 39 -27.584 34.456 10.980 1.00 10.00 N ATOM 569 CA SER A 39 -28.767 33.839 10.405 1.00 10.00 C ATOM 570 C SER A 39 -29.589 34.783 9.518 1.00 10.00 C ATOM 571 O SER A 39 -30.706 34.427 9.145 1.00 10.00 O ATOM 572 CB SER A 39 -29.561 33.082 11.461 1.00 10.00 C ATOM 573 OG SER A 39 -30.038 33.945 12.483 1.00 10.00 O ATOM 0 H SER A 39 -27.673 34.697 11.967 1.00 10.00 H new ATOM 0 HA SER A 39 -28.429 33.084 9.695 1.00 10.00 H new ATOM 0 HB2 SER A 39 -30.404 32.577 10.989 1.00 10.00 H new ATOM 0 HB3 SER A 39 -28.933 32.308 11.903 1.00 10.00 H new ATOM 0 HG SER A 39 -30.544 33.424 13.141 1.00 10.00 H new ATOM 579 N ASP A 40 -29.050 35.972 9.185 1.00 10.00 N ATOM 580 CA ASP A 40 -29.570 36.873 8.148 1.00 10.00 C ATOM 581 C ASP A 40 -29.786 36.002 6.903 1.00 10.00 C ATOM 582 O ASP A 40 -28.819 35.576 6.277 1.00 10.00 O ATOM 583 CB ASP A 40 -28.633 38.060 7.885 1.00 10.00 C ATOM 584 CG ASP A 40 -29.140 38.897 6.699 1.00 10.00 C ATOM 585 OD1 ASP A 40 -29.958 39.819 6.928 1.00 10.00 O ATOM 586 OD2 ASP A 40 -28.744 38.626 5.541 1.00 10.00 O ATOM 0 H ASP A 40 -28.217 36.339 9.646 1.00 10.00 H new ATOM 0 HA ASP A 40 -30.505 37.336 8.462 1.00 10.00 H new ATOM 0 HB2 ASP A 40 -28.569 38.684 8.776 1.00 10.00 H new ATOM 0 HB3 ASP A 40 -27.627 37.697 7.677 1.00 10.00 H new ATOM 591 N PRO A 41 -31.027 35.679 6.527 1.00 10.00 N ATOM 592 CA PRO A 41 -31.251 34.637 5.539 1.00 10.00 C ATOM 593 C PRO A 41 -30.755 34.937 4.133 1.00 10.00 C ATOM 594 O PRO A 41 -30.462 34.006 3.390 1.00 10.00 O ATOM 595 CB PRO A 41 -32.751 34.387 5.579 1.00 10.00 C ATOM 596 CG PRO A 41 -33.327 35.730 6.031 1.00 10.00 C ATOM 597 CD PRO A 41 -32.276 36.245 7.002 1.00 10.00 C ATOM 0 HA PRO A 41 -30.659 33.759 5.795 1.00 10.00 H new ATOM 0 HB2 PRO A 41 -33.135 34.094 4.602 1.00 10.00 H new ATOM 0 HB3 PRO A 41 -33.006 33.587 6.274 1.00 10.00 H new ATOM 0 HG2 PRO A 41 -33.469 36.411 5.192 1.00 10.00 H new ATOM 0 HG3 PRO A 41 -34.297 35.611 6.513 1.00 10.00 H new ATOM 0 HD2 PRO A 41 -32.241 37.334 7.006 1.00 10.00 H new ATOM 0 HD3 PRO A 41 -32.491 35.929 8.023 1.00 10.00 H new ATOM 605 N ALA A 42 -30.618 36.205 3.758 1.00 10.00 N ATOM 606 CA ALA A 42 -30.101 36.578 2.460 1.00 10.00 C ATOM 607 C ALA A 42 -28.597 36.254 2.310 1.00 10.00 C ATOM 608 O ALA A 42 -28.192 35.726 1.271 1.00 10.00 O ATOM 609 CB ALA A 42 -30.446 38.053 2.258 1.00 10.00 C ATOM 0 H ALA A 42 -30.864 36.998 4.351 1.00 10.00 H new ATOM 0 HA ALA A 42 -30.563 35.988 1.668 1.00 10.00 H new ATOM 0 HB1 ALA A 42 -30.075 38.384 1.288 1.00 10.00 H new ATOM 0 HB2 ALA A 42 -31.528 38.182 2.296 1.00 10.00 H new ATOM 0 HB3 ALA A 42 -29.982 38.646 3.046 1.00 10.00 H new ATOM 615 N LEU A 43 -27.775 36.479 3.348 1.00 10.00 N ATOM 616 CA LEU A 43 -26.381 36.029 3.386 1.00 10.00 C ATOM 617 C LEU A 43 -26.239 34.542 3.764 1.00 10.00 C ATOM 618 O LEU A 43 -25.442 33.835 3.147 1.00 10.00 O ATOM 619 CB LEU A 43 -25.562 36.979 4.279 1.00 10.00 C ATOM 620 CG LEU A 43 -25.713 36.793 5.787 1.00 10.00 C ATOM 621 CD1 LEU A 43 -24.804 35.720 6.325 1.00 10.00 C ATOM 622 CD2 LEU A 43 -25.206 37.974 6.591 1.00 10.00 C ATOM 0 H LEU A 43 -28.064 36.981 4.187 1.00 10.00 H new ATOM 0 HA LEU A 43 -25.968 36.081 2.378 1.00 10.00 H new ATOM 0 HB2 LEU A 43 -24.508 36.863 4.024 1.00 10.00 H new ATOM 0 HB3 LEU A 43 -25.839 38.004 4.032 1.00 10.00 H new ATOM 0 HG LEU A 43 -26.781 36.599 5.890 1.00 10.00 H new ATOM 0 HD11 LEU A 43 -24.949 35.626 7.401 1.00 10.00 H new ATOM 0 HD12 LEU A 43 -25.037 34.770 5.843 1.00 10.00 H new ATOM 0 HD13 LEU A 43 -23.767 35.986 6.120 1.00 10.00 H new ATOM 0 HD21 LEU A 43 -25.343 37.776 7.654 1.00 10.00 H new ATOM 0 HD22 LEU A 43 -24.147 38.127 6.384 1.00 10.00 H new ATOM 0 HD23 LEU A 43 -25.763 38.869 6.314 1.00 10.00 H new ATOM 634 N LEU A 44 -26.997 34.047 4.753 1.00 10.00 N ATOM 635 CA LEU A 44 -26.937 32.646 5.187 1.00 10.00 C ATOM 636 C LEU A 44 -27.361 31.764 4.028 1.00 10.00 C ATOM 637 O LEU A 44 -26.635 30.837 3.731 1.00 10.00 O ATOM 638 CB LEU A 44 -27.674 32.445 6.539 1.00 10.00 C ATOM 639 CG LEU A 44 -28.559 31.219 6.841 1.00 10.00 C ATOM 640 CD1 LEU A 44 -29.673 30.905 5.845 1.00 10.00 C ATOM 641 CD2 LEU A 44 -27.750 29.947 6.981 1.00 10.00 C ATOM 0 H LEU A 44 -27.670 34.609 5.275 1.00 10.00 H new ATOM 0 HA LEU A 44 -25.921 32.335 5.429 1.00 10.00 H new ATOM 0 HB2 LEU A 44 -26.909 32.472 7.315 1.00 10.00 H new ATOM 0 HB3 LEU A 44 -28.304 33.323 6.681 1.00 10.00 H new ATOM 0 HG LEU A 44 -29.027 31.529 7.775 1.00 10.00 H new ATOM 0 HD11 LEU A 44 -30.218 30.021 6.176 1.00 10.00 H new ATOM 0 HD12 LEU A 44 -30.357 31.752 5.785 1.00 10.00 H new ATOM 0 HD13 LEU A 44 -29.240 30.718 4.862 1.00 10.00 H new ATOM 0 HD21 LEU A 44 -28.418 29.112 7.193 1.00 10.00 H new ATOM 0 HD22 LEU A 44 -27.212 29.754 6.053 1.00 10.00 H new ATOM 0 HD23 LEU A 44 -27.037 30.057 7.798 1.00 10.00 H new ATOM 653 N ALA A 45 -28.415 32.049 3.267 1.00 10.00 N ATOM 654 CA ALA A 45 -28.768 31.157 2.177 1.00 10.00 C ATOM 655 C ALA A 45 -27.806 31.275 0.985 1.00 10.00 C ATOM 656 O ALA A 45 -27.705 30.334 0.202 1.00 10.00 O ATOM 657 CB ALA A 45 -30.243 31.288 1.831 1.00 10.00 C ATOM 0 H ALA A 45 -29.019 32.863 3.381 1.00 10.00 H new ATOM 0 HA ALA A 45 -28.635 30.128 2.512 1.00 10.00 H new ATOM 0 HB1 ALA A 45 -30.486 30.611 1.012 1.00 10.00 H new ATOM 0 HB2 ALA A 45 -30.845 31.033 2.703 1.00 10.00 H new ATOM 0 HB3 ALA A 45 -30.456 32.314 1.530 1.00 10.00 H new ATOM 663 N ALA A 46 -27.051 32.375 0.857 1.00 10.00 N ATOM 664 CA ALA A 46 -25.947 32.446 -0.090 1.00 10.00 C ATOM 665 C ALA A 46 -24.812 31.502 0.360 1.00 10.00 C ATOM 666 O ALA A 46 -24.208 30.824 -0.469 1.00 10.00 O ATOM 667 CB ALA A 46 -25.467 33.885 -0.263 1.00 10.00 C ATOM 0 H ALA A 46 -27.191 33.226 1.402 1.00 10.00 H new ATOM 0 HA ALA A 46 -26.292 32.113 -1.069 1.00 10.00 H new ATOM 0 HB1 ALA A 46 -24.642 33.910 -0.975 1.00 10.00 H new ATOM 0 HB2 ALA A 46 -26.287 34.500 -0.635 1.00 10.00 H new ATOM 0 HB3 ALA A 46 -25.129 34.274 0.698 1.00 10.00 H new ATOM 673 N TYR A 47 -24.571 31.380 1.675 1.00 10.00 N ATOM 674 CA TYR A 47 -23.698 30.360 2.251 1.00 10.00 C ATOM 675 C TYR A 47 -24.239 28.983 1.942 1.00 10.00 C ATOM 676 O TYR A 47 -23.518 28.188 1.358 1.00 10.00 O ATOM 677 CB TYR A 47 -23.550 30.520 3.763 1.00 10.00 C ATOM 678 CG TYR A 47 -22.615 29.513 4.424 1.00 10.00 C ATOM 679 CD1 TYR A 47 -21.257 29.447 4.073 1.00 10.00 C ATOM 680 CD2 TYR A 47 -23.138 28.565 5.327 1.00 10.00 C ATOM 681 CE1 TYR A 47 -20.425 28.441 4.603 1.00 10.00 C ATOM 682 CE2 TYR A 47 -22.311 27.566 5.876 1.00 10.00 C ATOM 683 CZ TYR A 47 -20.951 27.496 5.509 1.00 10.00 C ATOM 684 OH TYR A 47 -20.161 26.516 6.028 1.00 10.00 O ATOM 0 H TYR A 47 -24.985 31.998 2.372 1.00 10.00 H new ATOM 0 HA TYR A 47 -22.712 30.484 1.802 1.00 10.00 H new ATOM 0 HB2 TYR A 47 -23.186 31.526 3.974 1.00 10.00 H new ATOM 0 HB3 TYR A 47 -24.535 30.435 4.221 1.00 10.00 H new ATOM 0 HD1 TYR A 47 -20.846 30.175 3.389 1.00 10.00 H new ATOM 0 HD2 TYR A 47 -24.182 28.605 5.600 1.00 10.00 H new ATOM 0 HE1 TYR A 47 -19.385 28.393 4.316 1.00 10.00 H new ATOM 0 HE2 TYR A 47 -22.718 26.853 6.578 1.00 10.00 H new ATOM 0 HH TYR A 47 -20.690 25.956 6.634 1.00 10.00 H new ATOM 694 N GLN A 48 -25.523 28.751 2.228 1.00 10.00 N ATOM 695 CA GLN A 48 -26.227 27.514 1.916 1.00 10.00 C ATOM 696 C GLN A 48 -26.126 27.151 0.422 1.00 10.00 C ATOM 697 O GLN A 48 -26.065 25.976 0.056 1.00 10.00 O ATOM 698 CB GLN A 48 -27.695 27.549 2.369 1.00 10.00 C ATOM 699 CG GLN A 48 -27.991 27.852 3.841 1.00 10.00 C ATOM 700 CD GLN A 48 -27.359 26.856 4.810 1.00 10.00 C ATOM 701 OE1 GLN A 48 -26.279 27.061 5.342 1.00 10.00 O ATOM 702 NE2 GLN A 48 -28.001 25.737 5.073 1.00 10.00 N ATOM 0 H GLN A 48 -26.113 29.439 2.695 1.00 10.00 H new ATOM 0 HA GLN A 48 -25.726 26.730 2.484 1.00 10.00 H new ATOM 0 HB2 GLN A 48 -28.212 28.295 1.765 1.00 10.00 H new ATOM 0 HB3 GLN A 48 -28.140 26.583 2.132 1.00 10.00 H new ATOM 0 HG2 GLN A 48 -27.631 28.853 4.076 1.00 10.00 H new ATOM 0 HG3 GLN A 48 -29.070 27.858 3.992 1.00 10.00 H new ATOM 0 HE21 GLN A 48 -28.904 25.552 4.636 1.00 10.00 H new ATOM 0 HE22 GLN A 48 -27.595 25.055 5.714 1.00 10.00 H new ATOM 711 N SER A 49 -26.047 28.162 -0.447 1.00 10.00 N ATOM 712 CA SER A 49 -25.850 27.996 -1.877 1.00 10.00 C ATOM 713 C SER A 49 -24.430 27.575 -2.217 1.00 10.00 C ATOM 714 O SER A 49 -24.218 26.586 -2.912 1.00 10.00 O ATOM 715 CB SER A 49 -26.153 29.311 -2.628 1.00 10.00 C ATOM 716 OG SER A 49 -26.402 29.039 -3.995 1.00 10.00 O ATOM 0 H SER A 49 -26.121 29.139 -0.162 1.00 10.00 H new ATOM 0 HA SER A 49 -26.538 27.210 -2.190 1.00 10.00 H new ATOM 0 HB2 SER A 49 -27.018 29.803 -2.183 1.00 10.00 H new ATOM 0 HB3 SER A 49 -25.311 29.997 -2.532 1.00 10.00 H new ATOM 0 HG SER A 49 -26.595 29.877 -4.465 1.00 10.00 H new ATOM 722 N LYS A 50 -23.433 28.290 -1.693 1.00 10.00 N ATOM 723 CA LYS A 50 -22.017 28.038 -1.952 1.00 10.00 C ATOM 724 C LYS A 50 -21.546 26.717 -1.357 1.00 10.00 C ATOM 725 O LYS A 50 -20.767 26.019 -1.982 1.00 10.00 O ATOM 726 CB LYS A 50 -21.213 29.258 -1.479 1.00 10.00 C ATOM 727 CG LYS A 50 -21.556 30.485 -2.344 1.00 10.00 C ATOM 728 CD LYS A 50 -20.430 30.850 -3.298 1.00 10.00 C ATOM 729 CE LYS A 50 -20.131 29.749 -4.321 1.00 10.00 C ATOM 730 NZ LYS A 50 -20.502 30.158 -5.705 1.00 10.00 N ATOM 0 H LYS A 50 -23.592 29.077 -1.064 1.00 10.00 H new ATOM 0 HA LYS A 50 -21.850 27.916 -3.022 1.00 10.00 H new ATOM 0 HB2 LYS A 50 -21.436 29.467 -0.433 1.00 10.00 H new ATOM 0 HB3 LYS A 50 -20.146 29.046 -1.541 1.00 10.00 H new ATOM 0 HG2 LYS A 50 -22.462 30.283 -2.915 1.00 10.00 H new ATOM 0 HG3 LYS A 50 -21.771 31.335 -1.696 1.00 10.00 H new ATOM 0 HD2 LYS A 50 -20.691 31.767 -3.826 1.00 10.00 H new ATOM 0 HD3 LYS A 50 -19.528 31.059 -2.723 1.00 10.00 H new ATOM 0 HE2 LYS A 50 -19.070 29.502 -4.288 1.00 10.00 H new ATOM 0 HE3 LYS A 50 -20.677 28.845 -4.051 1.00 10.00 H new ATOM 0 HZ1 LYS A 50 -20.477 29.328 -6.331 1.00 10.00 H new ATOM 0 HZ2 LYS A 50 -21.461 30.561 -5.703 1.00 10.00 H new ATOM 0 HZ3 LYS A 50 -19.827 30.871 -6.049 1.00 10.00 H new ATOM 744 N LEU A 51 -22.099 26.342 -0.215 1.00 10.00 N ATOM 745 CA LEU A 51 -22.028 25.054 0.464 1.00 10.00 C ATOM 746 C LEU A 51 -22.463 23.932 -0.491 1.00 10.00 C ATOM 747 O LEU A 51 -21.794 22.905 -0.604 1.00 10.00 O ATOM 748 CB LEU A 51 -22.954 25.274 1.679 1.00 10.00 C ATOM 749 CG LEU A 51 -23.476 24.108 2.527 1.00 10.00 C ATOM 750 CD1 LEU A 51 -24.148 24.726 3.756 1.00 10.00 C ATOM 751 CD2 LEU A 51 -24.560 23.292 1.816 1.00 10.00 C ATOM 0 H LEU A 51 -22.669 27.000 0.316 1.00 10.00 H new ATOM 0 HA LEU A 51 -21.035 24.739 0.784 1.00 10.00 H new ATOM 0 HB2 LEU A 51 -22.427 25.945 2.358 1.00 10.00 H new ATOM 0 HB3 LEU A 51 -23.828 25.813 1.314 1.00 10.00 H new ATOM 0 HG LEU A 51 -22.636 23.450 2.750 1.00 10.00 H new ATOM 0 HD11 LEU A 51 -24.538 23.933 4.395 1.00 10.00 H new ATOM 0 HD12 LEU A 51 -23.418 25.314 4.312 1.00 10.00 H new ATOM 0 HD13 LEU A 51 -24.967 25.371 3.437 1.00 10.00 H new ATOM 0 HD21 LEU A 51 -24.890 22.481 2.466 1.00 10.00 H new ATOM 0 HD22 LEU A 51 -25.407 23.937 1.583 1.00 10.00 H new ATOM 0 HD23 LEU A 51 -24.156 22.876 0.893 1.00 10.00 H new ATOM 763 N SER A 52 -23.539 24.163 -1.244 1.00 10.00 N ATOM 764 CA SER A 52 -23.994 23.264 -2.295 1.00 10.00 C ATOM 765 C SER A 52 -23.109 23.308 -3.539 1.00 10.00 C ATOM 766 O SER A 52 -22.757 22.258 -4.070 1.00 10.00 O ATOM 767 CB SER A 52 -25.435 23.553 -2.703 1.00 10.00 C ATOM 768 OG SER A 52 -26.326 23.523 -1.596 1.00 10.00 O ATOM 0 H SER A 52 -24.124 24.992 -1.136 1.00 10.00 H new ATOM 0 HA SER A 52 -23.931 22.265 -1.864 1.00 10.00 H new ATOM 0 HB2 SER A 52 -25.486 24.531 -3.181 1.00 10.00 H new ATOM 0 HB3 SER A 52 -25.754 22.820 -3.444 1.00 10.00 H new ATOM 0 HG SER A 52 -26.219 24.341 -1.067 1.00 10.00 H new ATOM 774 N GLU A 53 -22.675 24.490 -3.983 1.00 10.00 N ATOM 775 CA GLU A 53 -21.749 24.639 -5.099 1.00 10.00 C ATOM 776 C GLU A 53 -20.406 23.949 -4.839 1.00 10.00 C ATOM 777 O GLU A 53 -19.755 23.465 -5.758 1.00 10.00 O ATOM 778 CB GLU A 53 -21.403 26.082 -5.417 1.00 10.00 C ATOM 779 CG GLU A 53 -22.392 27.071 -5.995 1.00 10.00 C ATOM 780 CD GLU A 53 -23.085 26.573 -7.277 1.00 10.00 C ATOM 781 OE1 GLU A 53 -22.422 26.515 -8.340 1.00 10.00 O ATOM 782 OE2 GLU A 53 -24.300 26.266 -7.237 1.00 10.00 O ATOM 0 H GLU A 53 -22.962 25.378 -3.571 1.00 10.00 H new ATOM 0 HA GLU A 53 -22.287 24.183 -5.930 1.00 10.00 H new ATOM 0 HB2 GLU A 53 -21.037 26.521 -4.489 1.00 10.00 H new ATOM 0 HB3 GLU A 53 -20.561 26.050 -6.109 1.00 10.00 H new ATOM 0 HG2 GLU A 53 -23.151 27.294 -5.245 1.00 10.00 H new ATOM 0 HG3 GLU A 53 -21.874 28.005 -6.212 1.00 10.00 H new ATOM 789 N TYR A 54 -19.959 23.927 -3.589 1.00 10.00 N ATOM 790 CA TYR A 54 -18.749 23.244 -3.174 1.00 10.00 C ATOM 791 C TYR A 54 -18.952 21.730 -3.226 1.00 10.00 C ATOM 792 O TYR A 54 -18.062 21.013 -3.683 1.00 10.00 O ATOM 793 CB TYR A 54 -18.251 23.804 -1.838 1.00 10.00 C ATOM 794 CG TYR A 54 -17.701 22.787 -0.894 1.00 10.00 C ATOM 795 CD1 TYR A 54 -16.383 22.346 -1.070 1.00 10.00 C ATOM 796 CD2 TYR A 54 -18.508 22.265 0.128 1.00 10.00 C ATOM 797 CE1 TYR A 54 -15.864 21.366 -0.219 1.00 10.00 C ATOM 798 CE2 TYR A 54 -17.998 21.272 0.973 1.00 10.00 C ATOM 799 CZ TYR A 54 -16.668 20.815 0.809 1.00 10.00 C ATOM 800 OH TYR A 54 -16.172 19.852 1.634 1.00 10.00 O ATOM 0 H TYR A 54 -20.442 24.395 -2.822 1.00 10.00 H new ATOM 0 HA TYR A 54 -17.936 23.439 -3.873 1.00 10.00 H new ATOM 0 HB2 TYR A 54 -17.479 24.547 -2.038 1.00 10.00 H new ATOM 0 HB3 TYR A 54 -19.075 24.324 -1.349 1.00 10.00 H new ATOM 0 HD1 TYR A 54 -15.772 22.761 -1.858 1.00 10.00 H new ATOM 0 HD2 TYR A 54 -19.517 22.627 0.262 1.00 10.00 H new ATOM 0 HE1 TYR A 54 -14.846 21.028 -0.346 1.00 10.00 H new ATOM 0 HE2 TYR A 54 -18.620 20.854 1.751 1.00 10.00 H new ATOM 0 HH TYR A 54 -16.860 19.590 2.281 1.00 10.00 H new ATOM 843 N TYR A 57 -18.607 21.214 -6.876 1.00 10.00 N ATOM 844 CA TYR A 57 -17.175 21.103 -7.119 1.00 10.00 C ATOM 845 C TYR A 57 -16.760 19.642 -6.823 1.00 10.00 C ATOM 846 O TYR A 57 -16.054 19.008 -7.601 1.00 10.00 O ATOM 847 CB TYR A 57 -16.351 22.161 -6.358 1.00 10.00 C ATOM 848 CG TYR A 57 -14.916 21.694 -6.247 1.00 10.00 C ATOM 849 CD1 TYR A 57 -14.007 21.941 -7.293 1.00 10.00 C ATOM 850 CD2 TYR A 57 -14.603 20.758 -5.246 1.00 10.00 C ATOM 851 CE1 TYR A 57 -12.807 21.208 -7.363 1.00 10.00 C ATOM 852 CE2 TYR A 57 -13.434 19.986 -5.340 1.00 10.00 C ATOM 853 CZ TYR A 57 -12.532 20.210 -6.401 1.00 10.00 C ATOM 854 OH TYR A 57 -11.415 19.449 -6.514 1.00 10.00 O ATOM 0 HA TYR A 57 -16.954 21.326 -8.163 1.00 10.00 H new ATOM 0 HB2 TYR A 57 -16.395 23.117 -6.880 1.00 10.00 H new ATOM 0 HB3 TYR A 57 -16.771 22.320 -5.365 1.00 10.00 H new ATOM 0 HD1 TYR A 57 -14.229 22.690 -8.039 1.00 10.00 H new ATOM 0 HD2 TYR A 57 -15.264 20.632 -4.401 1.00 10.00 H new ATOM 0 HE1 TYR A 57 -12.097 21.408 -8.152 1.00 10.00 H new ATOM 0 HE2 TYR A 57 -13.226 19.224 -4.603 1.00 10.00 H new ATOM 0 HH TYR A 57 -10.710 19.966 -6.957 1.00 10.00 H new ATOM 864 N ARG A 58 -17.288 19.081 -5.727 1.00 10.00 N ATOM 865 CA ARG A 58 -17.120 17.698 -5.271 1.00 10.00 C ATOM 866 C ARG A 58 -17.759 16.666 -6.205 1.00 10.00 C ATOM 867 O ARG A 58 -17.202 15.592 -6.400 1.00 10.00 O ATOM 868 CB ARG A 58 -17.715 17.586 -3.848 1.00 10.00 C ATOM 869 CG ARG A 58 -16.812 16.912 -2.822 1.00 10.00 C ATOM 870 CD ARG A 58 -15.578 17.771 -2.504 1.00 10.00 C ATOM 871 NE ARG A 58 -14.422 16.937 -2.134 1.00 10.00 N ATOM 872 CZ ARG A 58 -14.126 16.444 -0.946 1.00 10.00 C ATOM 873 NH1 ARG A 58 -14.863 16.661 0.106 1.00 10.00 N ATOM 874 NH2 ARG A 58 -13.060 15.714 -0.795 1.00 10.00 N ATOM 0 H ARG A 58 -17.882 19.618 -5.095 1.00 10.00 H new ATOM 0 HA ARG A 58 -16.054 17.469 -5.270 1.00 10.00 H new ATOM 0 HB2 ARG A 58 -17.959 18.587 -3.493 1.00 10.00 H new ATOM 0 HB3 ARG A 58 -18.652 17.031 -3.905 1.00 10.00 H new ATOM 0 HG2 ARG A 58 -17.374 16.729 -1.906 1.00 10.00 H new ATOM 0 HG3 ARG A 58 -16.492 15.941 -3.200 1.00 10.00 H new ATOM 0 HD2 ARG A 58 -15.325 18.382 -3.371 1.00 10.00 H new ATOM 0 HD3 ARG A 58 -15.810 18.456 -1.688 1.00 10.00 H new ATOM 0 HE ARG A 58 -13.771 16.713 -2.887 1.00 10.00 H new ATOM 0 HH11 ARG A 58 -15.705 17.231 0.030 1.00 10.00 H new ATOM 0 HH12 ARG A 58 -14.598 16.261 1.006 1.00 10.00 H new ATOM 0 HH21 ARG A 58 -12.455 15.524 -1.594 1.00 10.00 H new ATOM 0 HH22 ARG A 58 -12.829 15.332 0.122 1.00 10.00 H new ATOM 888 N ASN A 59 -18.901 16.998 -6.807 1.00 10.00 N ATOM 889 CA ASN A 59 -19.615 16.183 -7.786 1.00 10.00 C ATOM 890 C ASN A 59 -18.798 16.046 -9.079 1.00 10.00 C ATOM 891 O ASN A 59 -18.600 14.951 -9.604 1.00 10.00 O ATOM 892 CB ASN A 59 -21.002 16.798 -8.067 1.00 10.00 C ATOM 893 CG ASN A 59 -21.884 15.839 -8.848 1.00 10.00 C ATOM 894 OD1 ASN A 59 -21.968 15.885 -10.067 1.00 10.00 O ATOM 895 ND2 ASN A 59 -22.558 14.932 -8.177 1.00 10.00 N ATOM 0 H ASN A 59 -19.373 17.882 -6.616 1.00 10.00 H new ATOM 0 HA ASN A 59 -19.756 15.182 -7.378 1.00 10.00 H new ATOM 0 HB2 ASN A 59 -21.486 17.055 -7.125 1.00 10.00 H new ATOM 0 HB3 ASN A 59 -20.884 17.725 -8.628 1.00 10.00 H new ATOM 0 HD21 ASN A 59 -23.151 14.267 -8.673 1.00 10.00 H new ATOM 0 HD22 ASN A 59 -22.488 14.893 -7.160 1.00 10.00 H new ATOM 902 N ALA A 60 -18.251 17.170 -9.538 1.00 10.00 N ATOM 903 CA ALA A 60 -17.286 17.273 -10.615 1.00 10.00 C ATOM 904 C ALA A 60 -15.987 16.528 -10.270 1.00 10.00 C ATOM 905 O ALA A 60 -15.510 15.727 -11.072 1.00 10.00 O ATOM 906 CB ALA A 60 -17.106 18.771 -10.894 1.00 10.00 C ATOM 0 H ALA A 60 -18.487 18.080 -9.142 1.00 10.00 H new ATOM 0 HA ALA A 60 -17.631 16.785 -11.527 1.00 10.00 H new ATOM 0 HB1 ALA A 60 -16.386 18.907 -11.701 1.00 10.00 H new ATOM 0 HB2 ALA A 60 -18.063 19.204 -11.185 1.00 10.00 H new ATOM 0 HB3 ALA A 60 -16.741 19.267 -9.995 1.00 10.00 H new ATOM 912 N GLN A 61 -15.508 16.653 -9.027 1.00 10.00 N ATOM 913 CA GLN A 61 -14.426 15.873 -8.414 1.00 10.00 C ATOM 914 C GLN A 61 -14.870 14.476 -7.928 1.00 10.00 C ATOM 915 O GLN A 61 -14.364 13.894 -6.970 1.00 10.00 O ATOM 916 CB GLN A 61 -13.726 16.701 -7.355 1.00 10.00 C ATOM 917 CG GLN A 61 -12.390 16.070 -6.892 1.00 10.00 C ATOM 918 CD GLN A 61 -12.348 15.673 -5.411 1.00 10.00 C ATOM 919 OE1 GLN A 61 -12.992 16.241 -4.535 1.00 10.00 O ATOM 920 NE2 GLN A 61 -11.565 14.673 -5.063 1.00 10.00 N ATOM 0 H GLN A 61 -15.889 17.345 -8.382 1.00 10.00 H new ATOM 0 HA GLN A 61 -13.694 15.648 -9.189 1.00 10.00 H new ATOM 0 HB2 GLN A 61 -13.535 17.700 -7.748 1.00 10.00 H new ATOM 0 HB3 GLN A 61 -14.386 16.817 -6.495 1.00 10.00 H new ATOM 0 HG2 GLN A 61 -12.193 15.185 -7.497 1.00 10.00 H new ATOM 0 HG3 GLN A 61 -11.583 16.776 -7.088 1.00 10.00 H new ATOM 0 HE21 GLN A 61 -11.018 14.183 -5.771 1.00 10.00 H new ATOM 0 HE22 GLN A 61 -11.505 14.388 -4.085 1.00 10.00 H new ATOM 929 N SER A 62 -15.853 13.958 -8.643 1.00 10.00 N ATOM 930 CA SER A 62 -16.381 12.601 -8.638 1.00 10.00 C ATOM 931 C SER A 62 -16.846 12.211 -10.059 1.00 10.00 C ATOM 932 O SER A 62 -17.584 11.248 -10.263 1.00 10.00 O ATOM 933 CB SER A 62 -17.472 12.484 -7.576 1.00 10.00 C ATOM 934 OG SER A 62 -17.794 11.128 -7.302 1.00 10.00 O ATOM 0 H SER A 62 -16.356 14.539 -9.314 1.00 10.00 H new ATOM 0 HA SER A 62 -15.605 11.885 -8.368 1.00 10.00 H new ATOM 0 HB2 SER A 62 -17.141 12.972 -6.659 1.00 10.00 H new ATOM 0 HB3 SER A 62 -18.366 13.010 -7.913 1.00 10.00 H new ATOM 0 HG SER A 62 -17.887 10.637 -8.145 1.00 10.00 H new ATOM 940 N ASN A 63 -16.375 12.959 -11.069 1.00 10.00 N ATOM 941 CA ASN A 63 -16.605 12.766 -12.492 1.00 10.00 C ATOM 942 C ASN A 63 -15.275 12.680 -13.241 1.00 10.00 C ATOM 943 O ASN A 63 -14.982 11.693 -13.902 1.00 10.00 O ATOM 944 CB ASN A 63 -17.503 13.918 -12.983 1.00 10.00 C ATOM 945 CG ASN A 63 -18.334 13.571 -14.209 1.00 10.00 C ATOM 946 OD1 ASN A 63 -18.086 12.611 -14.926 1.00 10.00 O ATOM 947 ND2 ASN A 63 -19.360 14.341 -14.491 1.00 10.00 N ATOM 0 H ASN A 63 -15.782 13.770 -10.890 1.00 10.00 H new ATOM 0 HA ASN A 63 -17.115 11.822 -12.687 1.00 10.00 H new ATOM 0 HB2 ASN A 63 -18.172 14.214 -12.175 1.00 10.00 H new ATOM 0 HB3 ASN A 63 -16.878 14.781 -13.212 1.00 10.00 H new ATOM 0 HD21 ASN A 63 -19.943 14.137 -15.303 1.00 10.00 H new ATOM 0 HD22 ASN A 63 -19.574 15.143 -13.898 1.00 10.00 H new ATOM 954 N THR A 64 -14.401 13.655 -13.008 1.00 10.00 N ATOM 955 CA THR A 64 -12.987 13.680 -13.425 1.00 10.00 C ATOM 956 C THR A 64 -12.202 12.431 -13.020 1.00 10.00 C ATOM 957 O THR A 64 -11.496 11.795 -13.798 1.00 10.00 O ATOM 958 CB THR A 64 -12.359 14.944 -12.842 1.00 10.00 C ATOM 959 OG1 THR A 64 -11.023 15.116 -13.240 1.00 10.00 O ATOM 960 CG2 THR A 64 -12.443 15.000 -11.314 1.00 10.00 C ATOM 0 H THR A 64 -14.666 14.497 -12.497 1.00 10.00 H new ATOM 0 HA THR A 64 -12.946 13.687 -14.514 1.00 10.00 H new ATOM 0 HB THR A 64 -12.953 15.762 -13.249 1.00 10.00 H new ATOM 0 HG1 THR A 64 -10.474 14.397 -12.862 1.00 10.00 H new ATOM 0 HG21 THR A 64 -11.981 15.920 -10.958 1.00 10.00 H new ATOM 0 HG22 THR A 64 -13.488 14.976 -11.006 1.00 10.00 H new ATOM 0 HG23 THR A 64 -11.920 14.143 -10.889 1.00 10.00 H new ATOM 968 N VAL A 65 -12.478 11.992 -11.803 1.00 10.00 N ATOM 969 CA VAL A 65 -12.090 10.747 -11.133 1.00 10.00 C ATOM 970 C VAL A 65 -12.389 9.486 -11.963 1.00 10.00 C ATOM 971 O VAL A 65 -11.676 8.485 -11.897 1.00 10.00 O ATOM 972 CB VAL A 65 -12.880 10.695 -9.812 1.00 10.00 C ATOM 973 CG1 VAL A 65 -12.229 9.746 -8.811 1.00 10.00 C ATOM 974 CG2 VAL A 65 -12.997 12.063 -9.135 1.00 10.00 C ATOM 0 H VAL A 65 -13.048 12.565 -11.181 1.00 10.00 H new ATOM 0 HA VAL A 65 -11.011 10.751 -10.979 1.00 10.00 H new ATOM 0 HB VAL A 65 -13.874 10.344 -10.089 1.00 10.00 H new ATOM 0 HG11 VAL A 65 -12.812 9.733 -7.890 1.00 10.00 H new ATOM 0 HG12 VAL A 65 -12.194 8.741 -9.232 1.00 10.00 H new ATOM 0 HG13 VAL A 65 -11.216 10.085 -8.595 1.00 10.00 H new ATOM 0 HG21 VAL A 65 -13.564 11.964 -8.209 1.00 10.00 H new ATOM 0 HG22 VAL A 65 -12.001 12.445 -8.911 1.00 10.00 H new ATOM 0 HG23 VAL A 65 -13.510 12.756 -9.802 1.00 10.00 H new ATOM 984 N LYS A 66 -13.435 9.578 -12.789 1.00 10.00 N ATOM 985 CA LYS A 66 -14.029 8.582 -13.678 1.00 10.00 C ATOM 986 C LYS A 66 -13.855 8.940 -15.166 1.00 10.00 C ATOM 987 O LYS A 66 -14.445 8.318 -16.047 1.00 10.00 O ATOM 988 CB LYS A 66 -15.497 8.434 -13.252 1.00 10.00 C ATOM 989 CG LYS A 66 -15.627 7.532 -12.006 1.00 10.00 C ATOM 990 CD LYS A 66 -16.617 8.064 -10.962 1.00 10.00 C ATOM 991 CE LYS A 66 -18.051 8.174 -11.495 1.00 10.00 C ATOM 992 NZ LYS A 66 -18.948 8.781 -10.478 1.00 10.00 N ATOM 0 H LYS A 66 -13.944 10.459 -12.856 1.00 10.00 H new ATOM 0 HA LYS A 66 -13.518 7.624 -13.584 1.00 10.00 H new ATOM 0 HB2 LYS A 66 -15.918 9.417 -13.039 1.00 10.00 H new ATOM 0 HB3 LYS A 66 -16.076 8.011 -14.073 1.00 10.00 H new ATOM 0 HG2 LYS A 66 -15.943 6.537 -12.320 1.00 10.00 H new ATOM 0 HG3 LYS A 66 -14.646 7.424 -11.542 1.00 10.00 H new ATOM 0 HD2 LYS A 66 -16.608 7.406 -10.093 1.00 10.00 H new ATOM 0 HD3 LYS A 66 -16.286 9.045 -10.622 1.00 10.00 H new ATOM 0 HE2 LYS A 66 -18.061 8.778 -12.402 1.00 10.00 H new ATOM 0 HE3 LYS A 66 -18.419 7.185 -11.767 1.00 10.00 H new ATOM 0 HZ1 LYS A 66 -19.920 8.814 -10.848 1.00 10.00 H new ATOM 0 HZ2 LYS A 66 -18.927 8.208 -9.610 1.00 10.00 H new ATOM 0 HZ3 LYS A 66 -18.626 9.746 -10.263 1.00 10.00 H new ATOM 1006 N VAL A 67 -12.965 9.896 -15.437 1.00 10.00 N ATOM 1007 CA VAL A 67 -12.490 10.377 -16.730 1.00 10.00 C ATOM 1008 C VAL A 67 -11.005 10.091 -16.887 1.00 10.00 C ATOM 1009 O VAL A 67 -10.549 9.738 -17.970 1.00 10.00 O ATOM 1010 CB VAL A 67 -12.819 11.860 -16.839 1.00 10.00 C ATOM 1011 CG1 VAL A 67 -12.008 12.602 -17.877 1.00 10.00 C ATOM 1012 CG2 VAL A 67 -14.309 11.974 -17.100 1.00 10.00 C ATOM 0 H VAL A 67 -12.514 10.403 -14.675 1.00 10.00 H new ATOM 0 HA VAL A 67 -12.989 9.854 -17.546 1.00 10.00 H new ATOM 0 HB VAL A 67 -12.546 12.345 -15.902 1.00 10.00 H new ATOM 0 HG11 VAL A 67 -12.305 13.651 -17.889 1.00 10.00 H new ATOM 0 HG12 VAL A 67 -10.948 12.528 -17.632 1.00 10.00 H new ATOM 0 HG13 VAL A 67 -12.185 12.163 -18.859 1.00 10.00 H new ATOM 0 HG21 VAL A 67 -14.584 13.025 -17.184 1.00 10.00 H new ATOM 0 HG22 VAL A 67 -14.556 11.458 -18.028 1.00 10.00 H new ATOM 0 HG23 VAL A 67 -14.859 11.520 -16.275 1.00 10.00 H new ATOM 1022 N PHE A 68 -10.246 10.161 -15.797 1.00 10.00 N ATOM 1023 CA PHE A 68 -8.888 9.642 -15.750 1.00 10.00 C ATOM 1024 C PHE A 68 -8.972 8.103 -15.926 1.00 10.00 C ATOM 1025 O PHE A 68 -8.027 7.458 -16.357 1.00 10.00 O ATOM 1026 CB PHE A 68 -8.240 10.061 -14.433 1.00 10.00 C ATOM 1027 CG PHE A 68 -7.893 11.538 -14.328 1.00 10.00 C ATOM 1028 CD1 PHE A 68 -6.978 12.119 -15.227 1.00 10.00 C ATOM 1029 CD2 PHE A 68 -8.474 12.336 -13.323 1.00 10.00 C ATOM 1030 CE1 PHE A 68 -6.670 13.490 -15.141 1.00 10.00 C ATOM 1031 CE2 PHE A 68 -8.175 13.707 -13.243 1.00 10.00 C ATOM 1032 CZ PHE A 68 -7.275 14.287 -14.155 1.00 10.00 C ATOM 0 H PHE A 68 -10.559 10.581 -14.921 1.00 10.00 H new ATOM 0 HA PHE A 68 -8.262 10.043 -16.547 1.00 10.00 H new ATOM 0 HB2 PHE A 68 -8.913 9.803 -13.616 1.00 10.00 H new ATOM 0 HB3 PHE A 68 -7.330 9.479 -14.292 1.00 10.00 H new ATOM 0 HD1 PHE A 68 -6.510 11.510 -15.986 1.00 10.00 H new ATOM 0 HD2 PHE A 68 -9.153 11.892 -12.610 1.00 10.00 H new ATOM 0 HE1 PHE A 68 -5.968 13.930 -15.834 1.00 10.00 H new ATOM 0 HE2 PHE A 68 -8.637 14.316 -12.480 1.00 10.00 H new ATOM 0 HZ PHE A 68 -7.050 15.342 -14.097 1.00 10.00 H new