USER MOD reduce.3.24.130724 H: found=0, std=0, add=443, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 444 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 Single : A 8 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 ASN : amide:sc= -0.0233 K(o=-0.023,f=-1.2) USER MOD Single : A 26 MET CE :methyl -172:sc= -2.44 (180deg=-3.09) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= -1.55 X(o=-1.6,f=-2!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= -0.82 K(o=-0.82,f=-3!) USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0.27) USER MOD Single : A 60 GLN : amide:sc=-0.00163 X(o=-0.0016,f=0) USER MOD ----------------------------------------------------------------- ATOM 66 N ASN A 8 2.222 -10.367 -2.823 1.00 0.00 N ATOM 67 CA ASN A 8 3.034 -9.710 -1.805 1.00 0.00 C ATOM 68 C ASN A 8 2.200 -8.716 -1.003 1.00 0.00 C ATOM 69 O ASN A 8 1.473 -7.899 -1.568 1.00 0.00 O ATOM 70 CB ASN A 8 4.219 -8.992 -2.454 1.00 0.00 C ATOM 71 CG ASN A 8 5.042 -9.914 -3.333 1.00 0.00 C ATOM 72 OD1 ASN A 8 5.745 -10.796 -2.841 1.00 0.00 O ATOM 73 ND2 ASN A 8 4.958 -9.712 -4.643 1.00 0.00 N ATOM 0 HA ASN A 8 3.409 -10.475 -1.125 1.00 0.00 H new ATOM 0 HB2 ASN A 8 3.852 -8.157 -3.051 1.00 0.00 H new ATOM 0 HB3 ASN A 8 4.856 -8.572 -1.676 1.00 0.00 H new ATOM 0 HD21 ASN A 8 5.489 -10.300 -5.285 1.00 0.00 H new ATOM 0 HD22 ASN A 8 4.362 -8.969 -5.007 1.00 0.00 H new ATOM 80 N THR A 9 2.312 -8.790 0.320 1.00 0.00 N ATOM 81 CA THR A 9 1.569 -7.898 1.201 1.00 0.00 C ATOM 82 C THR A 9 2.476 -6.821 1.784 1.00 0.00 C ATOM 83 O THR A 9 3.645 -7.071 2.077 1.00 0.00 O ATOM 84 CB THR A 9 0.904 -8.673 2.355 1.00 0.00 C ATOM 85 OG1 THR A 9 0.238 -9.834 1.845 1.00 0.00 O ATOM 86 CG2 THR A 9 -0.093 -7.794 3.094 1.00 0.00 C ATOM 0 H THR A 9 2.910 -9.459 0.805 1.00 0.00 H new ATOM 0 HA THR A 9 0.794 -7.428 0.595 1.00 0.00 H new ATOM 0 HB THR A 9 1.682 -8.978 3.054 1.00 0.00 H new ATOM 0 HG1 THR A 9 -0.181 -10.322 2.584 1.00 0.00 H new ATOM 0 HG21 THR A 9 -0.549 -8.363 3.904 1.00 0.00 H new ATOM 0 HG22 THR A 9 0.422 -6.926 3.506 1.00 0.00 H new ATOM 0 HG23 THR A 9 -0.868 -7.462 2.403 1.00 0.00 H new ATOM 94 N TYR A 10 1.930 -5.621 1.951 1.00 0.00 N ATOM 95 CA TYR A 10 2.690 -4.504 2.498 1.00 0.00 C ATOM 96 C TYR A 10 1.899 -3.788 3.588 1.00 0.00 C ATOM 97 O TYR A 10 0.685 -3.613 3.477 1.00 0.00 O ATOM 98 CB TYR A 10 3.059 -3.519 1.388 1.00 0.00 C ATOM 99 CG TYR A 10 4.139 -4.028 0.460 1.00 0.00 C ATOM 100 CD1 TYR A 10 3.933 -5.155 -0.326 1.00 0.00 C ATOM 101 CD2 TYR A 10 5.366 -3.381 0.369 1.00 0.00 C ATOM 102 CE1 TYR A 10 4.917 -5.624 -1.174 1.00 0.00 C ATOM 103 CE2 TYR A 10 6.355 -3.843 -0.477 1.00 0.00 C ATOM 104 CZ TYR A 10 6.126 -4.964 -1.247 1.00 0.00 C ATOM 105 OH TYR A 10 7.109 -5.427 -2.092 1.00 0.00 O ATOM 0 H TYR A 10 0.963 -5.397 1.715 1.00 0.00 H new ATOM 0 HA TYR A 10 3.604 -4.901 2.940 1.00 0.00 H new ATOM 0 HB2 TYR A 10 2.167 -3.292 0.804 1.00 0.00 H new ATOM 0 HB3 TYR A 10 3.391 -2.584 1.839 1.00 0.00 H new ATOM 0 HD1 TYR A 10 2.987 -5.673 -0.273 1.00 0.00 H new ATOM 0 HD2 TYR A 10 5.549 -2.502 0.970 1.00 0.00 H new ATOM 0 HE1 TYR A 10 4.741 -6.503 -1.777 1.00 0.00 H new ATOM 0 HE2 TYR A 10 7.303 -3.329 -0.535 1.00 0.00 H new ATOM 0 HH TYR A 10 7.897 -4.849 -2.025 1.00 0.00 H new ATOM 115 N VAL A 11 2.596 -3.374 4.641 1.00 0.00 N ATOM 116 CA VAL A 11 1.961 -2.674 5.751 1.00 0.00 C ATOM 117 C VAL A 11 2.268 -1.181 5.708 1.00 0.00 C ATOM 118 O VAL A 11 3.413 -0.779 5.502 1.00 0.00 O ATOM 119 CB VAL A 11 2.418 -3.242 7.108 1.00 0.00 C ATOM 120 CG1 VAL A 11 3.929 -3.147 7.246 1.00 0.00 C ATOM 121 CG2 VAL A 11 1.723 -2.516 8.250 1.00 0.00 C ATOM 0 H VAL A 11 3.601 -3.511 4.749 1.00 0.00 H new ATOM 0 HA VAL A 11 0.886 -2.824 5.646 1.00 0.00 H new ATOM 0 HB VAL A 11 2.139 -4.295 7.154 1.00 0.00 H new ATOM 0 HG11 VAL A 11 4.232 -3.553 8.211 1.00 0.00 H new ATOM 0 HG12 VAL A 11 4.404 -3.716 6.447 1.00 0.00 H new ATOM 0 HG13 VAL A 11 4.236 -2.103 7.179 1.00 0.00 H new ATOM 0 HG21 VAL A 11 2.057 -2.930 9.201 1.00 0.00 H new ATOM 0 HG22 VAL A 11 1.969 -1.455 8.210 1.00 0.00 H new ATOM 0 HG23 VAL A 11 0.644 -2.642 8.159 1.00 0.00 H new ATOM 131 N ALA A 12 1.239 -0.365 5.905 1.00 0.00 N ATOM 132 CA ALA A 12 1.399 1.084 5.892 1.00 0.00 C ATOM 133 C ALA A 12 2.092 1.572 7.160 1.00 0.00 C ATOM 134 O ALA A 12 1.580 1.395 8.266 1.00 0.00 O ATOM 135 CB ALA A 12 0.047 1.763 5.732 1.00 0.00 C ATOM 0 H ALA A 12 0.285 -0.682 6.076 1.00 0.00 H new ATOM 0 HA ALA A 12 2.028 1.347 5.042 1.00 0.00 H new ATOM 0 HB1 ALA A 12 0.182 2.845 5.724 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -0.410 1.447 4.794 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -0.601 1.484 6.563 1.00 0.00 H new ATOM 141 N LEU A 13 3.258 2.185 6.992 1.00 0.00 N ATOM 142 CA LEU A 13 4.023 2.698 8.124 1.00 0.00 C ATOM 143 C LEU A 13 3.344 3.922 8.729 1.00 0.00 C ATOM 144 O LEU A 13 3.250 4.053 9.950 1.00 0.00 O ATOM 145 CB LEU A 13 5.444 3.053 7.686 1.00 0.00 C ATOM 146 CG LEU A 13 6.205 1.964 6.929 1.00 0.00 C ATOM 147 CD1 LEU A 13 7.499 2.518 6.352 1.00 0.00 C ATOM 148 CD2 LEU A 13 6.491 0.780 7.841 1.00 0.00 C ATOM 0 H LEU A 13 3.695 2.339 6.083 1.00 0.00 H new ATOM 0 HA LEU A 13 4.069 1.918 8.884 1.00 0.00 H new ATOM 0 HB2 LEU A 13 5.397 3.941 7.055 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.019 3.321 8.572 1.00 0.00 H new ATOM 0 HG LEU A 13 5.581 1.620 6.104 1.00 0.00 H new ATOM 0 HD11 LEU A 13 8.026 1.728 5.817 1.00 0.00 H new ATOM 0 HD12 LEU A 13 7.271 3.333 5.664 1.00 0.00 H new ATOM 0 HD13 LEU A 13 8.128 2.891 7.161 1.00 0.00 H new ATOM 0 HD21 LEU A 13 7.033 0.015 7.285 1.00 0.00 H new ATOM 0 HD22 LEU A 13 7.094 1.110 8.687 1.00 0.00 H new ATOM 0 HD23 LEU A 13 5.551 0.366 8.205 1.00 0.00 H new ATOM 160 N TYR A 14 2.870 4.816 7.868 1.00 0.00 N ATOM 161 CA TYR A 14 2.200 6.030 8.317 1.00 0.00 C ATOM 162 C TYR A 14 0.907 6.258 7.541 1.00 0.00 C ATOM 163 O TYR A 14 0.690 5.665 6.483 1.00 0.00 O ATOM 164 CB TYR A 14 3.125 7.238 8.155 1.00 0.00 C ATOM 165 CG TYR A 14 4.576 6.933 8.448 1.00 0.00 C ATOM 166 CD1 TYR A 14 5.083 7.045 9.737 1.00 0.00 C ATOM 167 CD2 TYR A 14 5.440 6.532 7.437 1.00 0.00 C ATOM 168 CE1 TYR A 14 6.409 6.768 10.010 1.00 0.00 C ATOM 169 CE2 TYR A 14 6.767 6.252 7.700 1.00 0.00 C ATOM 170 CZ TYR A 14 7.247 6.372 8.988 1.00 0.00 C ATOM 171 OH TYR A 14 8.568 6.094 9.256 1.00 0.00 O ATOM 0 H TYR A 14 2.938 4.722 6.855 1.00 0.00 H new ATOM 0 HA TYR A 14 1.953 5.909 9.372 1.00 0.00 H new ATOM 0 HB2 TYR A 14 3.040 7.616 7.136 1.00 0.00 H new ATOM 0 HB3 TYR A 14 2.789 8.034 8.819 1.00 0.00 H new ATOM 0 HD1 TYR A 14 4.429 7.354 10.539 1.00 0.00 H new ATOM 0 HD2 TYR A 14 5.068 6.437 6.428 1.00 0.00 H new ATOM 0 HE1 TYR A 14 6.787 6.861 11.017 1.00 0.00 H new ATOM 0 HE2 TYR A 14 7.425 5.941 6.902 1.00 0.00 H new ATOM 0 HH TYR A 14 9.021 5.828 8.429 1.00 0.00 H new ATOM 181 N LYS A 15 0.049 7.122 8.073 1.00 0.00 N ATOM 182 CA LYS A 15 -1.223 7.432 7.431 1.00 0.00 C ATOM 183 C LYS A 15 -1.012 8.305 6.198 1.00 0.00 C ATOM 184 O LYS A 15 -0.247 9.269 6.231 1.00 0.00 O ATOM 185 CB LYS A 15 -2.156 8.139 8.417 1.00 0.00 C ATOM 186 CG LYS A 15 -3.487 8.546 7.809 1.00 0.00 C ATOM 187 CD LYS A 15 -4.424 9.125 8.856 1.00 0.00 C ATOM 188 CE LYS A 15 -5.420 10.094 8.237 1.00 0.00 C ATOM 189 NZ LYS A 15 -6.563 9.382 7.600 1.00 0.00 N ATOM 0 H LYS A 15 0.212 7.620 8.948 1.00 0.00 H new ATOM 0 HA LYS A 15 -1.681 6.494 7.116 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -2.340 7.481 9.266 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -1.656 9.027 8.804 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -3.319 9.282 7.023 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -3.954 7.680 7.340 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -4.961 8.317 9.352 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -3.843 9.639 9.622 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -5.796 10.769 9.006 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -4.914 10.709 7.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -7.219 10.077 7.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -6.207 8.756 6.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -7.061 8.815 8.316 1.00 0.00 H new ATOM 203 N PHE A 16 -1.696 7.962 5.112 1.00 0.00 N ATOM 204 CA PHE A 16 -1.584 8.715 3.868 1.00 0.00 C ATOM 205 C PHE A 16 -2.876 9.471 3.572 1.00 0.00 C ATOM 206 O PHE A 16 -3.962 8.891 3.571 1.00 0.00 O ATOM 207 CB PHE A 16 -1.252 7.776 2.707 1.00 0.00 C ATOM 208 CG PHE A 16 -0.898 8.495 1.437 1.00 0.00 C ATOM 209 CD1 PHE A 16 -1.879 9.110 0.677 1.00 0.00 C ATOM 210 CD2 PHE A 16 0.417 8.557 1.003 1.00 0.00 C ATOM 211 CE1 PHE A 16 -1.556 9.772 -0.493 1.00 0.00 C ATOM 212 CE2 PHE A 16 0.746 9.218 -0.165 1.00 0.00 C ATOM 213 CZ PHE A 16 -0.242 9.827 -0.914 1.00 0.00 C ATOM 0 H PHE A 16 -2.334 7.167 5.068 1.00 0.00 H new ATOM 0 HA PHE A 16 -0.778 9.439 3.982 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -0.420 7.134 2.996 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -2.106 7.125 2.521 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -2.908 9.072 1.002 1.00 0.00 H new ATOM 0 HD2 PHE A 16 1.194 8.083 1.585 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -2.331 10.246 -1.077 1.00 0.00 H new ATOM 0 HE2 PHE A 16 1.775 9.258 -0.492 1.00 0.00 H new ATOM 0 HZ PHE A 16 0.013 10.345 -1.827 1.00 0.00 H new ATOM 223 N VAL A 17 -2.750 10.770 3.321 1.00 0.00 N ATOM 224 CA VAL A 17 -3.906 11.607 3.023 1.00 0.00 C ATOM 225 C VAL A 17 -3.983 11.927 1.534 1.00 0.00 C ATOM 226 O VAL A 17 -3.352 12.861 1.041 1.00 0.00 O ATOM 227 CB VAL A 17 -3.865 12.925 3.818 1.00 0.00 C ATOM 228 CG1 VAL A 17 -5.074 13.787 3.487 1.00 0.00 C ATOM 229 CG2 VAL A 17 -3.794 12.644 5.311 1.00 0.00 C ATOM 0 H VAL A 17 -1.859 11.266 3.318 1.00 0.00 H new ATOM 0 HA VAL A 17 -4.790 11.042 3.317 1.00 0.00 H new ATOM 0 HB VAL A 17 -2.968 13.474 3.531 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -5.027 14.714 4.058 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -5.076 14.017 2.422 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -5.986 13.248 3.743 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -3.766 13.587 5.858 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -4.671 12.074 5.616 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.894 12.070 5.531 1.00 0.00 H new ATOM 239 N PRO A 18 -4.777 11.133 0.799 1.00 0.00 N ATOM 240 CA PRO A 18 -4.957 11.313 -0.645 1.00 0.00 C ATOM 241 C PRO A 18 -5.745 12.575 -0.978 1.00 0.00 C ATOM 242 O PRO A 18 -6.929 12.680 -0.659 1.00 0.00 O ATOM 243 CB PRO A 18 -5.742 10.067 -1.062 1.00 0.00 C ATOM 244 CG PRO A 18 -6.461 9.641 0.172 1.00 0.00 C ATOM 245 CD PRO A 18 -5.560 10.001 1.321 1.00 0.00 C ATOM 0 HA PRO A 18 -4.005 11.428 -1.163 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -6.439 10.290 -1.869 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -5.077 9.283 -1.423 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -7.423 10.146 0.257 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -6.664 8.570 0.156 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -6.131 10.281 2.206 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -4.919 9.167 1.606 1.00 0.00 H new ATOM 253 N GLN A 19 -5.080 13.530 -1.621 1.00 0.00 N ATOM 254 CA GLN A 19 -5.720 14.785 -1.997 1.00 0.00 C ATOM 255 C GLN A 19 -6.737 14.565 -3.113 1.00 0.00 C ATOM 256 O GLN A 19 -7.762 15.242 -3.172 1.00 0.00 O ATOM 257 CB GLN A 19 -4.670 15.804 -2.441 1.00 0.00 C ATOM 258 CG GLN A 19 -3.848 15.349 -3.637 1.00 0.00 C ATOM 259 CD GLN A 19 -2.853 16.397 -4.094 1.00 0.00 C ATOM 260 OE1 GLN A 19 -3.026 17.018 -5.144 1.00 0.00 O ATOM 261 NE2 GLN A 19 -1.803 16.601 -3.307 1.00 0.00 N ATOM 0 H GLN A 19 -4.099 13.458 -1.892 1.00 0.00 H new ATOM 0 HA GLN A 19 -6.245 15.172 -1.124 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -5.168 16.742 -2.688 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -3.999 16.009 -1.607 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -3.314 14.434 -3.379 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -4.518 15.105 -4.462 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -1.699 16.064 -2.446 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -1.100 17.295 -3.564 1.00 0.00 H new ATOM 270 N GLU A 20 -6.444 13.615 -3.995 1.00 0.00 N ATOM 271 CA GLU A 20 -7.333 13.307 -5.109 1.00 0.00 C ATOM 272 C GLU A 20 -7.700 11.826 -5.120 1.00 0.00 C ATOM 273 O GLU A 20 -7.075 11.016 -4.436 1.00 0.00 O ATOM 274 CB GLU A 20 -6.674 13.691 -6.436 1.00 0.00 C ATOM 275 CG GLU A 20 -6.965 15.117 -6.870 1.00 0.00 C ATOM 276 CD GLU A 20 -8.296 15.250 -7.585 1.00 0.00 C ATOM 277 OE1 GLU A 20 -8.401 14.779 -8.736 1.00 0.00 O ATOM 278 OE2 GLU A 20 -9.233 15.825 -6.991 1.00 0.00 O ATOM 0 H GLU A 20 -5.598 13.046 -3.960 1.00 0.00 H new ATOM 0 HA GLU A 20 -8.247 13.888 -4.983 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -5.596 13.560 -6.348 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -7.016 13.007 -7.213 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -6.960 15.767 -5.995 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -6.167 15.462 -7.528 1.00 0.00 H new ATOM 285 N ASN A 21 -8.718 11.481 -5.901 1.00 0.00 N ATOM 286 CA ASN A 21 -9.170 10.098 -6.000 1.00 0.00 C ATOM 287 C ASN A 21 -7.997 9.160 -6.264 1.00 0.00 C ATOM 288 O ASN A 21 -7.753 8.226 -5.500 1.00 0.00 O ATOM 289 CB ASN A 21 -10.210 9.958 -7.114 1.00 0.00 C ATOM 290 CG ASN A 21 -10.766 8.551 -7.213 1.00 0.00 C ATOM 291 OD1 ASN A 21 -10.641 7.755 -6.282 1.00 0.00 O ATOM 292 ND2 ASN A 21 -11.383 8.237 -8.346 1.00 0.00 N ATOM 0 H ASN A 21 -9.245 12.139 -6.474 1.00 0.00 H new ATOM 0 HA ASN A 21 -9.626 9.822 -5.049 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -11.027 10.657 -6.934 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -9.758 10.235 -8.066 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -11.777 7.304 -8.471 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -11.463 8.929 -9.091 1.00 0.00 H new ATOM 299 N GLU A 22 -7.274 9.415 -7.349 1.00 0.00 N ATOM 300 CA GLU A 22 -6.126 8.593 -7.713 1.00 0.00 C ATOM 301 C GLU A 22 -5.350 8.162 -6.472 1.00 0.00 C ATOM 302 O GLU A 22 -4.969 6.999 -6.338 1.00 0.00 O ATOM 303 CB GLU A 22 -5.203 9.358 -8.664 1.00 0.00 C ATOM 304 CG GLU A 22 -4.664 10.653 -8.078 1.00 0.00 C ATOM 305 CD GLU A 22 -3.661 11.332 -8.990 1.00 0.00 C ATOM 306 OE1 GLU A 22 -4.000 11.580 -10.166 1.00 0.00 O ATOM 307 OE2 GLU A 22 -2.536 11.617 -8.526 1.00 0.00 O ATOM 0 H GLU A 22 -7.463 10.184 -7.992 1.00 0.00 H new ATOM 0 HA GLU A 22 -6.497 7.701 -8.217 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -4.365 8.717 -8.938 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -5.746 9.583 -9.582 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -5.493 11.333 -7.886 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -4.193 10.445 -7.117 1.00 0.00 H new ATOM 314 N ASP A 23 -5.121 9.106 -5.567 1.00 0.00 N ATOM 315 CA ASP A 23 -4.392 8.825 -4.336 1.00 0.00 C ATOM 316 C ASP A 23 -5.159 7.836 -3.463 1.00 0.00 C ATOM 317 O ASP A 23 -6.363 7.641 -3.639 1.00 0.00 O ATOM 318 CB ASP A 23 -4.140 10.119 -3.560 1.00 0.00 C ATOM 319 CG ASP A 23 -3.319 11.118 -4.352 1.00 0.00 C ATOM 320 OD1 ASP A 23 -3.846 11.665 -5.344 1.00 0.00 O ATOM 321 OD2 ASP A 23 -2.151 11.354 -3.980 1.00 0.00 O ATOM 0 H ASP A 23 -5.430 10.073 -5.662 1.00 0.00 H new ATOM 0 HA ASP A 23 -3.434 8.379 -4.605 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -5.095 10.570 -3.291 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -3.624 9.886 -2.629 1.00 0.00 H new ATOM 326 N LEU A 24 -4.455 7.214 -2.525 1.00 0.00 N ATOM 327 CA LEU A 24 -5.070 6.243 -1.625 1.00 0.00 C ATOM 328 C LEU A 24 -4.801 6.606 -0.168 1.00 0.00 C ATOM 329 O LEU A 24 -3.733 7.117 0.167 1.00 0.00 O ATOM 330 CB LEU A 24 -4.540 4.839 -1.919 1.00 0.00 C ATOM 331 CG LEU A 24 -4.580 3.849 -0.755 1.00 0.00 C ATOM 332 CD1 LEU A 24 -5.997 3.344 -0.532 1.00 0.00 C ATOM 333 CD2 LEU A 24 -3.632 2.686 -1.010 1.00 0.00 C ATOM 0 H LEU A 24 -3.459 7.364 -2.367 1.00 0.00 H new ATOM 0 HA LEU A 24 -6.147 6.260 -1.792 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.115 4.421 -2.745 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -3.509 4.926 -2.260 1.00 0.00 H new ATOM 0 HG LEU A 24 -4.254 4.366 0.147 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -6.006 2.640 0.300 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -6.651 4.185 -0.303 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -6.351 2.844 -1.433 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -3.674 1.992 -0.171 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -3.927 2.170 -1.923 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -2.615 3.063 -1.119 1.00 0.00 H new ATOM 345 N GLU A 25 -5.777 6.335 0.694 1.00 0.00 N ATOM 346 CA GLU A 25 -5.644 6.631 2.115 1.00 0.00 C ATOM 347 C GLU A 25 -5.394 5.357 2.916 1.00 0.00 C ATOM 348 O GLU A 25 -6.172 4.406 2.848 1.00 0.00 O ATOM 349 CB GLU A 25 -6.902 7.333 2.632 1.00 0.00 C ATOM 350 CG GLU A 25 -6.845 7.671 4.113 1.00 0.00 C ATOM 351 CD GLU A 25 -7.828 8.759 4.501 1.00 0.00 C ATOM 352 OE1 GLU A 25 -7.484 9.950 4.348 1.00 0.00 O ATOM 353 OE2 GLU A 25 -8.939 8.420 4.957 1.00 0.00 O ATOM 0 H GLU A 25 -6.667 5.911 0.433 1.00 0.00 H new ATOM 0 HA GLU A 25 -4.788 7.293 2.243 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -7.055 8.251 2.064 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -7.766 6.695 2.446 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -7.054 6.773 4.695 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -5.835 7.990 4.370 1.00 0.00 H new ATOM 360 N MET A 26 -4.302 5.345 3.673 1.00 0.00 N ATOM 361 CA MET A 26 -3.949 4.188 4.487 1.00 0.00 C ATOM 362 C MET A 26 -3.682 4.601 5.932 1.00 0.00 C ATOM 363 O MET A 26 -3.555 5.787 6.235 1.00 0.00 O ATOM 364 CB MET A 26 -2.718 3.487 3.909 1.00 0.00 C ATOM 365 CG MET A 26 -1.753 4.431 3.210 1.00 0.00 C ATOM 366 SD MET A 26 -0.231 3.613 2.695 1.00 0.00 S ATOM 367 CE MET A 26 0.804 5.027 2.324 1.00 0.00 C ATOM 0 H MET A 26 -3.646 6.123 3.740 1.00 0.00 H new ATOM 0 HA MET A 26 -4.791 3.496 4.475 1.00 0.00 H new ATOM 0 HB2 MET A 26 -2.192 2.973 4.713 1.00 0.00 H new ATOM 0 HB3 MET A 26 -3.043 2.724 3.202 1.00 0.00 H new ATOM 0 HG2 MET A 26 -2.242 4.863 2.337 1.00 0.00 H new ATOM 0 HG3 MET A 26 -1.509 5.256 3.879 1.00 0.00 H new ATOM 0 HE1 MET A 26 1.729 4.688 1.858 1.00 0.00 H new ATOM 0 HE2 MET A 26 0.277 5.694 1.642 1.00 0.00 H new ATOM 0 HE3 MET A 26 1.036 5.560 3.246 1.00 0.00 H new ATOM 377 N ARG A 27 -3.599 3.614 6.818 1.00 0.00 N ATOM 378 CA ARG A 27 -3.349 3.875 8.231 1.00 0.00 C ATOM 379 C ARG A 27 -2.131 3.097 8.720 1.00 0.00 C ATOM 380 O ARG A 27 -1.771 2.053 8.176 1.00 0.00 O ATOM 381 CB ARG A 27 -4.576 3.502 9.065 1.00 0.00 C ATOM 382 CG ARG A 27 -5.608 4.613 9.162 1.00 0.00 C ATOM 383 CD ARG A 27 -6.417 4.512 10.446 1.00 0.00 C ATOM 384 NE ARG A 27 -7.115 5.757 10.753 1.00 0.00 N ATOM 385 CZ ARG A 27 -7.549 6.076 11.967 1.00 0.00 C ATOM 386 NH1 ARG A 27 -7.358 5.245 12.982 1.00 0.00 N ATOM 387 NH2 ARG A 27 -8.176 7.229 12.167 1.00 0.00 N ATOM 0 H ARG A 27 -3.701 2.627 6.583 1.00 0.00 H new ATOM 0 HA ARG A 27 -3.149 4.940 8.349 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -5.045 2.619 8.631 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -4.253 3.230 10.070 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -5.107 5.580 9.121 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -6.278 4.564 8.304 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -7.142 3.703 10.355 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -5.755 4.255 11.272 1.00 0.00 H new ATOM 0 HE ARG A 27 -7.278 6.418 9.994 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -6.877 4.358 12.832 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -7.692 5.492 13.913 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -8.325 7.870 11.388 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -8.509 7.473 13.100 1.00 0.00 H new ATOM 401 N PRO A 28 -1.480 3.617 9.772 1.00 0.00 N ATOM 402 CA PRO A 28 -0.293 2.987 10.358 1.00 0.00 C ATOM 403 C PRO A 28 -0.624 1.686 11.081 1.00 0.00 C ATOM 404 O PRO A 28 -0.861 1.679 12.288 1.00 0.00 O ATOM 405 CB PRO A 28 0.211 4.038 11.351 1.00 0.00 C ATOM 406 CG PRO A 28 -0.996 4.835 11.705 1.00 0.00 C ATOM 407 CD PRO A 28 -1.854 4.858 10.470 1.00 0.00 C ATOM 0 HA PRO A 28 0.439 2.711 9.599 1.00 0.00 H new ATOM 0 HB2 PRO A 28 0.650 3.571 12.233 1.00 0.00 H new ATOM 0 HB3 PRO A 28 0.983 4.665 10.905 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -1.529 4.385 12.542 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -0.721 5.845 12.008 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -2.915 4.875 10.718 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -1.655 5.738 9.859 1.00 0.00 H new ATOM 415 N GLY A 29 -0.638 0.586 10.334 1.00 0.00 N ATOM 416 CA GLY A 29 -0.941 -0.706 10.922 1.00 0.00 C ATOM 417 C GLY A 29 -1.936 -1.498 10.098 1.00 0.00 C ATOM 418 O GLY A 29 -2.378 -2.571 10.510 1.00 0.00 O ATOM 0 H GLY A 29 -0.445 0.567 9.333 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -0.020 -1.280 11.025 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -1.339 -0.560 11.926 1.00 0.00 H new ATOM 422 N ASP A 30 -2.291 -0.970 8.932 1.00 0.00 N ATOM 423 CA ASP A 30 -3.241 -1.635 8.048 1.00 0.00 C ATOM 424 C ASP A 30 -2.516 -2.516 7.036 1.00 0.00 C ATOM 425 O ASP A 30 -1.321 -2.346 6.794 1.00 0.00 O ATOM 426 CB ASP A 30 -4.102 -0.602 7.320 1.00 0.00 C ATOM 427 CG ASP A 30 -5.316 -0.188 8.128 1.00 0.00 C ATOM 428 OD1 ASP A 30 -5.621 -0.866 9.131 1.00 0.00 O ATOM 429 OD2 ASP A 30 -5.961 0.815 7.757 1.00 0.00 O ATOM 0 H ASP A 30 -1.935 -0.083 8.577 1.00 0.00 H new ATOM 0 HA ASP A 30 -3.886 -2.268 8.658 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -3.499 0.279 7.099 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -4.428 -1.013 6.365 1.00 0.00 H new ATOM 434 N ILE A 31 -3.247 -3.457 6.448 1.00 0.00 N ATOM 435 CA ILE A 31 -2.674 -4.365 5.462 1.00 0.00 C ATOM 436 C ILE A 31 -3.057 -3.951 4.045 1.00 0.00 C ATOM 437 O ILE A 31 -4.224 -3.678 3.762 1.00 0.00 O ATOM 438 CB ILE A 31 -3.128 -5.816 5.701 1.00 0.00 C ATOM 439 CG1 ILE A 31 -2.680 -6.293 7.084 1.00 0.00 C ATOM 440 CG2 ILE A 31 -2.578 -6.730 4.616 1.00 0.00 C ATOM 441 CD1 ILE A 31 -1.177 -6.346 7.247 1.00 0.00 C ATOM 0 H ILE A 31 -4.237 -3.611 6.637 1.00 0.00 H new ATOM 0 HA ILE A 31 -1.591 -4.309 5.574 1.00 0.00 H new ATOM 0 HB ILE A 31 -4.217 -5.851 5.660 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -3.096 -5.628 7.841 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -3.093 -7.285 7.269 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -2.908 -7.752 4.800 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -2.943 -6.400 3.643 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -1.489 -6.693 4.627 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -0.932 -6.692 8.251 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -0.755 -7.033 6.513 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -0.759 -5.351 7.094 1.00 0.00 H new ATOM 453 N ILE A 32 -2.068 -3.908 3.159 1.00 0.00 N ATOM 454 CA ILE A 32 -2.303 -3.530 1.771 1.00 0.00 C ATOM 455 C ILE A 32 -1.797 -4.605 0.815 1.00 0.00 C ATOM 456 O ILE A 32 -0.712 -5.158 1.003 1.00 0.00 O ATOM 457 CB ILE A 32 -1.621 -2.193 1.428 1.00 0.00 C ATOM 458 CG1 ILE A 32 -2.190 -1.068 2.296 1.00 0.00 C ATOM 459 CG2 ILE A 32 -1.799 -1.870 -0.048 1.00 0.00 C ATOM 460 CD1 ILE A 32 -1.201 0.043 2.569 1.00 0.00 C ATOM 0 H ILE A 32 -1.097 -4.130 3.377 1.00 0.00 H new ATOM 0 HA ILE A 32 -3.381 -3.420 1.653 1.00 0.00 H new ATOM 0 HB ILE A 32 -0.555 -2.283 1.634 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -3.068 -0.649 1.804 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -2.525 -1.486 3.245 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -1.311 -0.922 -0.274 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -1.352 -2.661 -0.650 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -2.862 -1.795 -0.279 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -1.672 0.805 3.189 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -0.333 -0.362 3.089 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -0.884 0.488 1.626 1.00 0.00 H new ATOM 472 N THR A 33 -2.589 -4.897 -0.212 1.00 0.00 N ATOM 473 CA THR A 33 -2.221 -5.906 -1.198 1.00 0.00 C ATOM 474 C THR A 33 -1.512 -5.275 -2.391 1.00 0.00 C ATOM 475 O THR A 33 -2.122 -4.548 -3.176 1.00 0.00 O ATOM 476 CB THR A 33 -3.456 -6.678 -1.699 1.00 0.00 C ATOM 477 OG1 THR A 33 -4.218 -7.158 -0.586 1.00 0.00 O ATOM 478 CG2 THR A 33 -3.042 -7.848 -2.579 1.00 0.00 C ATOM 0 H THR A 33 -3.489 -4.449 -0.383 1.00 0.00 H new ATOM 0 HA THR A 33 -1.544 -6.601 -0.702 1.00 0.00 H new ATOM 0 HB THR A 33 -4.068 -5.997 -2.291 1.00 0.00 H new ATOM 0 HG1 THR A 33 -5.002 -7.646 -0.913 1.00 0.00 H new ATOM 0 HG21 THR A 33 -3.931 -8.378 -2.921 1.00 0.00 H new ATOM 0 HG22 THR A 33 -2.487 -7.477 -3.441 1.00 0.00 H new ATOM 0 HG23 THR A 33 -2.411 -8.528 -2.007 1.00 0.00 H new ATOM 486 N LEU A 34 -0.221 -5.558 -2.523 1.00 0.00 N ATOM 487 CA LEU A 34 0.573 -5.019 -3.622 1.00 0.00 C ATOM 488 C LEU A 34 0.077 -5.551 -4.963 1.00 0.00 C ATOM 489 O LEU A 34 0.353 -6.694 -5.330 1.00 0.00 O ATOM 490 CB LEU A 34 2.049 -5.374 -3.434 1.00 0.00 C ATOM 491 CG LEU A 34 3.024 -4.734 -4.423 1.00 0.00 C ATOM 492 CD1 LEU A 34 3.279 -3.280 -4.056 1.00 0.00 C ATOM 493 CD2 LEU A 34 4.330 -5.513 -4.463 1.00 0.00 C ATOM 0 H LEU A 34 0.299 -6.158 -1.882 1.00 0.00 H new ATOM 0 HA LEU A 34 0.464 -3.934 -3.619 1.00 0.00 H new ATOM 0 HB2 LEU A 34 2.345 -5.087 -2.425 1.00 0.00 H new ATOM 0 HB3 LEU A 34 2.153 -6.457 -3.501 1.00 0.00 H new ATOM 0 HG LEU A 34 2.576 -4.763 -5.416 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.975 -2.841 -4.771 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.339 -2.729 -4.079 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.706 -3.227 -3.054 1.00 0.00 H new ATOM 0 HD21 LEU A 34 5.012 -5.044 -5.172 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.783 -5.516 -3.471 1.00 0.00 H new ATOM 0 HD23 LEU A 34 4.132 -6.539 -4.774 1.00 0.00 H new ATOM 505 N LEU A 35 -0.653 -4.715 -5.692 1.00 0.00 N ATOM 506 CA LEU A 35 -1.186 -5.099 -6.995 1.00 0.00 C ATOM 507 C LEU A 35 -0.176 -4.814 -8.102 1.00 0.00 C ATOM 508 O LEU A 35 0.269 -5.725 -8.798 1.00 0.00 O ATOM 509 CB LEU A 35 -2.492 -4.353 -7.275 1.00 0.00 C ATOM 510 CG LEU A 35 -3.604 -4.537 -6.242 1.00 0.00 C ATOM 511 CD1 LEU A 35 -4.754 -3.581 -6.521 1.00 0.00 C ATOM 512 CD2 LEU A 35 -4.095 -5.977 -6.237 1.00 0.00 C ATOM 0 H LEU A 35 -0.890 -3.766 -5.403 1.00 0.00 H new ATOM 0 HA LEU A 35 -1.385 -6.171 -6.977 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -2.270 -3.289 -7.354 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -2.869 -4.673 -8.246 1.00 0.00 H new ATOM 0 HG LEU A 35 -3.199 -4.309 -5.256 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -5.536 -3.726 -5.776 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -4.393 -2.554 -6.473 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -5.158 -3.778 -7.514 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -4.886 -6.089 -5.496 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.483 -6.233 -7.223 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -3.268 -6.642 -5.989 1.00 0.00 H new ATOM 524 N GLU A 36 0.182 -3.543 -8.256 1.00 0.00 N ATOM 525 CA GLU A 36 1.140 -3.138 -9.277 1.00 0.00 C ATOM 526 C GLU A 36 2.436 -2.641 -8.642 1.00 0.00 C ATOM 527 O GLU A 36 2.452 -1.614 -7.962 1.00 0.00 O ATOM 528 CB GLU A 36 0.542 -2.044 -10.165 1.00 0.00 C ATOM 529 CG GLU A 36 1.272 -1.865 -11.485 1.00 0.00 C ATOM 530 CD GLU A 36 0.707 -0.728 -12.314 1.00 0.00 C ATOM 531 OE1 GLU A 36 -0.465 -0.825 -12.733 1.00 0.00 O ATOM 532 OE2 GLU A 36 1.437 0.258 -12.545 1.00 0.00 O ATOM 0 H GLU A 36 -0.177 -2.777 -7.687 1.00 0.00 H new ATOM 0 HA GLU A 36 1.367 -4.010 -9.890 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -0.502 -2.282 -10.366 1.00 0.00 H new ATOM 0 HB3 GLU A 36 0.555 -1.099 -9.621 1.00 0.00 H new ATOM 0 HG2 GLU A 36 2.328 -1.678 -11.290 1.00 0.00 H new ATOM 0 HG3 GLU A 36 1.213 -2.791 -12.057 1.00 0.00 H new ATOM 539 N ASP A 37 3.518 -3.377 -8.867 1.00 0.00 N ATOM 540 CA ASP A 37 4.819 -3.013 -8.317 1.00 0.00 C ATOM 541 C ASP A 37 5.849 -2.840 -9.429 1.00 0.00 C ATOM 542 O ASP A 37 7.010 -3.222 -9.278 1.00 0.00 O ATOM 543 CB ASP A 37 5.294 -4.076 -7.325 1.00 0.00 C ATOM 544 CG ASP A 37 5.468 -5.435 -7.973 1.00 0.00 C ATOM 545 OD1 ASP A 37 4.449 -6.034 -8.379 1.00 0.00 O ATOM 546 OD2 ASP A 37 6.622 -5.900 -8.076 1.00 0.00 O ATOM 0 H ASP A 37 3.521 -4.230 -9.427 1.00 0.00 H new ATOM 0 HA ASP A 37 4.712 -2.063 -7.794 1.00 0.00 H new ATOM 0 HB2 ASP A 37 6.241 -3.762 -6.886 1.00 0.00 H new ATOM 0 HB3 ASP A 37 4.575 -4.155 -6.509 1.00 0.00 H new ATOM 551 N SER A 38 5.417 -2.262 -10.545 1.00 0.00 N ATOM 552 CA SER A 38 6.300 -2.043 -11.684 1.00 0.00 C ATOM 553 C SER A 38 7.214 -0.845 -11.440 1.00 0.00 C ATOM 554 O SER A 38 8.391 -0.866 -11.795 1.00 0.00 O ATOM 555 CB SER A 38 5.481 -1.823 -12.957 1.00 0.00 C ATOM 556 OG SER A 38 6.321 -1.741 -14.096 1.00 0.00 O ATOM 0 H SER A 38 4.460 -1.937 -10.685 1.00 0.00 H new ATOM 0 HA SER A 38 6.919 -2.931 -11.808 1.00 0.00 H new ATOM 0 HB2 SER A 38 4.771 -2.641 -13.083 1.00 0.00 H new ATOM 0 HB3 SER A 38 4.898 -0.907 -12.864 1.00 0.00 H new ATOM 0 HG SER A 38 5.774 -1.602 -14.897 1.00 0.00 H new ATOM 562 N ASN A 39 6.660 0.199 -10.832 1.00 0.00 N ATOM 563 CA ASN A 39 7.423 1.407 -10.541 1.00 0.00 C ATOM 564 C ASN A 39 8.382 1.178 -9.377 1.00 0.00 C ATOM 565 O ASN A 39 8.497 0.064 -8.866 1.00 0.00 O ATOM 566 CB ASN A 39 6.479 2.567 -10.218 1.00 0.00 C ATOM 567 CG ASN A 39 7.063 3.913 -10.602 1.00 0.00 C ATOM 568 OD1 ASN A 39 7.757 4.035 -11.612 1.00 0.00 O ATOM 569 ND2 ASN A 39 6.784 4.930 -9.795 1.00 0.00 N ATOM 0 H ASN A 39 5.686 0.233 -10.531 1.00 0.00 H new ATOM 0 HA ASN A 39 8.007 1.659 -11.426 1.00 0.00 H new ATOM 0 HB2 ASN A 39 5.535 2.421 -10.743 1.00 0.00 H new ATOM 0 HB3 ASN A 39 6.254 2.563 -9.151 1.00 0.00 H new ATOM 0 HD21 ASN A 39 7.149 5.860 -10.001 1.00 0.00 H new ATOM 0 HD22 ASN A 39 6.204 4.781 -8.969 1.00 0.00 H new ATOM 576 N GLU A 40 9.067 2.239 -8.963 1.00 0.00 N ATOM 577 CA GLU A 40 10.016 2.153 -7.859 1.00 0.00 C ATOM 578 C GLU A 40 9.687 3.177 -6.777 1.00 0.00 C ATOM 579 O GLU A 40 9.833 2.906 -5.585 1.00 0.00 O ATOM 580 CB GLU A 40 11.443 2.370 -8.366 1.00 0.00 C ATOM 581 CG GLU A 40 11.864 1.383 -9.441 1.00 0.00 C ATOM 582 CD GLU A 40 11.455 1.827 -10.833 1.00 0.00 C ATOM 583 OE1 GLU A 40 11.343 3.050 -11.057 1.00 0.00 O ATOM 584 OE2 GLU A 40 11.248 0.949 -11.697 1.00 0.00 O ATOM 0 H GLU A 40 8.983 3.168 -9.375 1.00 0.00 H new ATOM 0 HA GLU A 40 9.940 1.156 -7.425 1.00 0.00 H new ATOM 0 HB2 GLU A 40 11.529 3.382 -8.760 1.00 0.00 H new ATOM 0 HB3 GLU A 40 12.133 2.295 -7.526 1.00 0.00 H new ATOM 0 HG2 GLU A 40 12.946 1.255 -9.408 1.00 0.00 H new ATOM 0 HG3 GLU A 40 11.421 0.410 -9.229 1.00 0.00 H new ATOM 591 N ASP A 41 9.242 4.355 -7.202 1.00 0.00 N ATOM 592 CA ASP A 41 8.892 5.421 -6.271 1.00 0.00 C ATOM 593 C ASP A 41 7.558 5.130 -5.589 1.00 0.00 C ATOM 594 O ASP A 41 7.503 4.917 -4.378 1.00 0.00 O ATOM 595 CB ASP A 41 8.823 6.763 -7.001 1.00 0.00 C ATOM 596 CG ASP A 41 9.957 6.942 -7.991 1.00 0.00 C ATOM 597 OD1 ASP A 41 11.090 7.228 -7.552 1.00 0.00 O ATOM 598 OD2 ASP A 41 9.711 6.794 -9.207 1.00 0.00 O ATOM 0 H ASP A 41 9.115 4.595 -8.185 1.00 0.00 H new ATOM 0 HA ASP A 41 9.668 5.472 -5.507 1.00 0.00 H new ATOM 0 HB2 ASP A 41 7.871 6.839 -7.526 1.00 0.00 H new ATOM 0 HB3 ASP A 41 8.850 7.572 -6.271 1.00 0.00 H new ATOM 603 N TRP A 42 6.487 5.125 -6.374 1.00 0.00 N ATOM 604 CA TRP A 42 5.154 4.861 -5.846 1.00 0.00 C ATOM 605 C TRP A 42 4.615 3.532 -6.365 1.00 0.00 C ATOM 606 O TRP A 42 4.874 3.151 -7.506 1.00 0.00 O ATOM 607 CB TRP A 42 4.199 5.995 -6.225 1.00 0.00 C ATOM 608 CG TRP A 42 4.559 7.308 -5.599 1.00 0.00 C ATOM 609 CD1 TRP A 42 5.776 7.927 -5.634 1.00 0.00 C ATOM 610 CD2 TRP A 42 3.694 8.163 -4.844 1.00 0.00 C ATOM 611 NE1 TRP A 42 5.719 9.115 -4.946 1.00 0.00 N ATOM 612 CE2 TRP A 42 4.453 9.283 -4.452 1.00 0.00 C ATOM 613 CE3 TRP A 42 2.351 8.092 -4.462 1.00 0.00 C ATOM 614 CZ2 TRP A 42 3.913 10.321 -3.697 1.00 0.00 C ATOM 615 CZ3 TRP A 42 1.817 9.123 -3.713 1.00 0.00 C ATOM 616 CH2 TRP A 42 2.596 10.226 -3.337 1.00 0.00 C ATOM 0 H TRP A 42 6.516 5.301 -7.378 1.00 0.00 H new ATOM 0 HA TRP A 42 5.226 4.803 -4.760 1.00 0.00 H new ATOM 0 HB2 TRP A 42 4.192 6.107 -7.309 1.00 0.00 H new ATOM 0 HB3 TRP A 42 3.187 5.723 -5.926 1.00 0.00 H new ATOM 0 HD1 TRP A 42 6.654 7.540 -6.130 1.00 0.00 H new ATOM 0 HE1 TRP A 42 6.494 9.766 -4.823 1.00 0.00 H new ATOM 0 HE3 TRP A 42 1.742 7.247 -4.747 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 4.512 11.171 -3.406 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 0.781 9.078 -3.412 1.00 0.00 H new ATOM 0 HH2 TRP A 42 2.148 11.016 -2.752 1.00 0.00 H new ATOM 627 N TRP A 43 3.867 2.832 -5.520 1.00 0.00 N ATOM 628 CA TRP A 43 3.292 1.545 -5.894 1.00 0.00 C ATOM 629 C TRP A 43 1.773 1.571 -5.773 1.00 0.00 C ATOM 630 O TRP A 43 1.200 2.513 -5.226 1.00 0.00 O ATOM 631 CB TRP A 43 3.867 0.432 -5.016 1.00 0.00 C ATOM 632 CG TRP A 43 5.304 0.126 -5.310 1.00 0.00 C ATOM 633 CD1 TRP A 43 5.938 0.245 -6.514 1.00 0.00 C ATOM 634 CD2 TRP A 43 6.286 -0.352 -4.384 1.00 0.00 C ATOM 635 NE1 TRP A 43 7.254 -0.131 -6.392 1.00 0.00 N ATOM 636 CE2 TRP A 43 7.493 -0.500 -5.095 1.00 0.00 C ATOM 637 CE3 TRP A 43 6.263 -0.667 -3.023 1.00 0.00 C ATOM 638 CZ2 TRP A 43 8.663 -0.950 -4.489 1.00 0.00 C ATOM 639 CZ3 TRP A 43 7.425 -1.115 -2.423 1.00 0.00 C ATOM 640 CH2 TRP A 43 8.612 -1.252 -3.155 1.00 0.00 C ATOM 0 H TRP A 43 3.644 3.134 -4.571 1.00 0.00 H new ATOM 0 HA TRP A 43 3.551 1.348 -6.934 1.00 0.00 H new ATOM 0 HB2 TRP A 43 3.771 0.719 -3.969 1.00 0.00 H new ATOM 0 HB3 TRP A 43 3.275 -0.473 -5.154 1.00 0.00 H new ATOM 0 HD1 TRP A 43 5.473 0.585 -7.428 1.00 0.00 H new ATOM 0 HE1 TRP A 43 7.942 -0.135 -7.145 1.00 0.00 H new ATOM 0 HE3 TRP A 43 5.354 -0.562 -2.450 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 9.579 -1.057 -5.052 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 7.418 -1.364 -1.372 1.00 0.00 H new ATOM 0 HH2 TRP A 43 9.504 -1.603 -2.657 1.00 0.00 H new ATOM 651 N LYS A 44 1.125 0.532 -6.288 1.00 0.00 N ATOM 652 CA LYS A 44 -0.329 0.435 -6.236 1.00 0.00 C ATOM 653 C LYS A 44 -0.765 -0.749 -5.378 1.00 0.00 C ATOM 654 O LYS A 44 -0.144 -1.810 -5.405 1.00 0.00 O ATOM 655 CB LYS A 44 -0.902 0.293 -7.648 1.00 0.00 C ATOM 656 CG LYS A 44 -2.402 0.518 -7.722 1.00 0.00 C ATOM 657 CD LYS A 44 -2.974 0.039 -9.046 1.00 0.00 C ATOM 658 CE LYS A 44 -4.472 0.289 -9.129 1.00 0.00 C ATOM 659 NZ LYS A 44 -4.988 0.106 -10.514 1.00 0.00 N ATOM 0 H LYS A 44 1.584 -0.255 -6.746 1.00 0.00 H new ATOM 0 HA LYS A 44 -0.713 1.350 -5.785 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -0.404 1.005 -8.306 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -0.674 -0.704 -8.025 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -2.891 -0.008 -6.902 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -2.618 1.579 -7.594 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -2.472 0.552 -9.867 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -2.775 -1.026 -9.166 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -4.992 -0.392 -8.455 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -4.691 1.302 -8.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -6.012 0.285 -10.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -4.510 0.773 -11.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -4.802 -0.868 -10.828 1.00 0.00 H new ATOM 673 N GLY A 45 -1.839 -0.559 -4.618 1.00 0.00 N ATOM 674 CA GLY A 45 -2.341 -1.620 -3.764 1.00 0.00 C ATOM 675 C GLY A 45 -3.854 -1.627 -3.675 1.00 0.00 C ATOM 676 O GLY A 45 -4.531 -0.924 -4.426 1.00 0.00 O ATOM 0 H GLY A 45 -2.371 0.311 -4.578 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -1.998 -2.582 -4.146 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -1.922 -1.506 -2.764 1.00 0.00 H new ATOM 680 N LYS A 46 -4.388 -2.425 -2.757 1.00 0.00 N ATOM 681 CA LYS A 46 -5.831 -2.522 -2.572 1.00 0.00 C ATOM 682 C LYS A 46 -6.179 -2.729 -1.102 1.00 0.00 C ATOM 683 O LYS A 46 -5.633 -3.616 -0.444 1.00 0.00 O ATOM 684 CB LYS A 46 -6.396 -3.673 -3.408 1.00 0.00 C ATOM 685 CG LYS A 46 -7.902 -3.829 -3.288 1.00 0.00 C ATOM 686 CD LYS A 46 -8.460 -4.718 -4.386 1.00 0.00 C ATOM 687 CE LYS A 46 -8.469 -6.181 -3.968 1.00 0.00 C ATOM 688 NZ LYS A 46 -8.342 -7.093 -5.139 1.00 0.00 N ATOM 0 H LYS A 46 -3.842 -3.015 -2.129 1.00 0.00 H new ATOM 0 HA LYS A 46 -6.279 -1.585 -2.904 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -6.138 -3.512 -4.455 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -5.917 -4.603 -3.101 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -8.148 -4.253 -2.315 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -8.375 -2.848 -3.337 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -9.474 -4.402 -4.631 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -7.862 -4.600 -5.290 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -7.649 -6.365 -3.273 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -9.394 -6.401 -3.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -8.352 -8.080 -4.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -9.138 -6.935 -5.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -7.447 -6.901 -5.633 1.00 0.00 H new ATOM 702 N ILE A 47 -7.090 -1.907 -0.593 1.00 0.00 N ATOM 703 CA ILE A 47 -7.512 -2.003 0.799 1.00 0.00 C ATOM 704 C ILE A 47 -8.999 -2.323 0.902 1.00 0.00 C ATOM 705 O ILE A 47 -9.743 -2.182 -0.068 1.00 0.00 O ATOM 706 CB ILE A 47 -7.224 -0.699 1.566 1.00 0.00 C ATOM 707 CG1 ILE A 47 -5.811 -0.200 1.256 1.00 0.00 C ATOM 708 CG2 ILE A 47 -7.400 -0.913 3.062 1.00 0.00 C ATOM 709 CD1 ILE A 47 -5.416 1.027 2.048 1.00 0.00 C ATOM 0 H ILE A 47 -7.550 -1.167 -1.123 1.00 0.00 H new ATOM 0 HA ILE A 47 -6.937 -2.813 1.248 1.00 0.00 H new ATOM 0 HB ILE A 47 -7.936 0.060 1.242 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -5.099 -0.999 1.461 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -5.739 0.026 0.192 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -7.193 0.018 3.590 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -8.424 -1.226 3.267 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -6.710 -1.685 3.403 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -4.403 1.324 1.777 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -6.105 1.841 1.825 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -5.455 0.800 3.113 1.00 0.00 H new ATOM 721 N GLN A 48 -9.426 -2.753 2.086 1.00 0.00 N ATOM 722 CA GLN A 48 -10.825 -3.091 2.315 1.00 0.00 C ATOM 723 C GLN A 48 -11.742 -2.245 1.438 1.00 0.00 C ATOM 724 O GLN A 48 -12.339 -2.745 0.484 1.00 0.00 O ATOM 725 CB GLN A 48 -11.185 -2.892 3.789 1.00 0.00 C ATOM 726 CG GLN A 48 -10.551 -3.919 4.714 1.00 0.00 C ATOM 727 CD GLN A 48 -11.133 -5.307 4.530 1.00 0.00 C ATOM 728 OE1 GLN A 48 -11.012 -5.907 3.461 1.00 0.00 O ATOM 729 NE2 GLN A 48 -11.768 -5.827 5.574 1.00 0.00 N ATOM 0 H GLN A 48 -8.823 -2.875 2.900 1.00 0.00 H new ATOM 0 HA GLN A 48 -10.966 -4.139 2.051 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -10.873 -1.895 4.099 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -12.269 -2.936 3.899 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -9.477 -3.952 4.532 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -10.689 -3.605 5.749 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -11.845 -5.295 6.441 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -12.179 -6.758 5.509 1.00 0.00 H new ATOM 738 N ASP A 49 -11.847 -0.962 1.766 1.00 0.00 N ATOM 739 CA ASP A 49 -12.690 -0.046 1.007 1.00 0.00 C ATOM 740 C ASP A 49 -11.886 1.154 0.518 1.00 0.00 C ATOM 741 O ASP A 49 -12.450 2.185 0.153 1.00 0.00 O ATOM 742 CB ASP A 49 -13.866 0.427 1.863 1.00 0.00 C ATOM 743 CG ASP A 49 -15.025 -0.550 1.846 1.00 0.00 C ATOM 744 OD1 ASP A 49 -15.707 -0.645 0.804 1.00 0.00 O ATOM 745 OD2 ASP A 49 -15.249 -1.221 2.875 1.00 0.00 O ATOM 0 H ASP A 49 -11.359 -0.533 2.552 1.00 0.00 H new ATOM 0 HA ASP A 49 -13.075 -0.581 0.139 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -13.530 0.569 2.890 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -14.207 1.397 1.502 1.00 0.00 H new ATOM 750 N ARG A 50 -10.564 1.013 0.515 1.00 0.00 N ATOM 751 CA ARG A 50 -9.682 2.086 0.073 1.00 0.00 C ATOM 752 C ARG A 50 -8.757 1.605 -1.042 1.00 0.00 C ATOM 753 O ARG A 50 -7.960 0.687 -0.847 1.00 0.00 O ATOM 754 CB ARG A 50 -8.853 2.609 1.248 1.00 0.00 C ATOM 755 CG ARG A 50 -9.547 3.703 2.043 1.00 0.00 C ATOM 756 CD ARG A 50 -10.511 3.121 3.065 1.00 0.00 C ATOM 757 NE ARG A 50 -9.834 2.736 4.300 1.00 0.00 N ATOM 758 CZ ARG A 50 -10.469 2.298 5.382 1.00 0.00 C ATOM 759 NH1 ARG A 50 -11.791 2.190 5.380 1.00 0.00 N ATOM 760 NH2 ARG A 50 -9.783 1.967 6.468 1.00 0.00 N ATOM 0 H ARG A 50 -10.081 0.166 0.814 1.00 0.00 H new ATOM 0 HA ARG A 50 -10.301 2.895 -0.315 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -8.620 1.779 1.915 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -7.904 2.991 0.871 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -8.801 4.314 2.551 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -10.089 4.361 1.363 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -11.286 3.853 3.290 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -11.009 2.250 2.638 1.00 0.00 H new ATOM 0 HE ARG A 50 -8.817 2.807 4.334 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -12.322 2.443 4.547 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -12.276 1.854 6.212 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -8.766 2.049 6.474 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -10.272 1.631 7.298 1.00 0.00 H new ATOM 774 N ILE A 51 -8.870 2.232 -2.208 1.00 0.00 N ATOM 775 CA ILE A 51 -8.044 1.868 -3.353 1.00 0.00 C ATOM 776 C ILE A 51 -7.355 3.094 -3.944 1.00 0.00 C ATOM 777 O ILE A 51 -7.864 4.210 -3.854 1.00 0.00 O ATOM 778 CB ILE A 51 -8.876 1.181 -4.451 1.00 0.00 C ATOM 779 CG1 ILE A 51 -9.539 -0.084 -3.903 1.00 0.00 C ATOM 780 CG2 ILE A 51 -8.000 0.850 -5.650 1.00 0.00 C ATOM 781 CD1 ILE A 51 -10.536 -0.705 -4.856 1.00 0.00 C ATOM 0 H ILE A 51 -9.525 2.994 -2.385 1.00 0.00 H new ATOM 0 HA ILE A 51 -7.290 1.170 -2.990 1.00 0.00 H new ATOM 0 HB ILE A 51 -9.659 1.867 -4.776 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -8.767 -0.817 -3.669 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -10.044 0.156 -2.967 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -8.602 0.365 -6.418 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -7.571 1.768 -6.052 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -7.198 0.180 -5.341 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -10.966 -1.597 -4.402 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -11.329 0.011 -5.071 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -10.032 -0.977 -5.783 1.00 0.00 H new ATOM 793 N GLY A 52 -6.192 2.876 -4.551 1.00 0.00 N ATOM 794 CA GLY A 52 -5.452 3.971 -5.151 1.00 0.00 C ATOM 795 C GLY A 52 -3.956 3.730 -5.147 1.00 0.00 C ATOM 796 O GLY A 52 -3.503 2.594 -5.002 1.00 0.00 O ATOM 0 H GLY A 52 -5.749 1.961 -4.638 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -5.791 4.116 -6.177 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -5.670 4.892 -4.611 1.00 0.00 H new ATOM 800 N PHE A 53 -3.185 4.801 -5.308 1.00 0.00 N ATOM 801 CA PHE A 53 -1.730 4.700 -5.326 1.00 0.00 C ATOM 802 C PHE A 53 -1.137 5.155 -3.996 1.00 0.00 C ATOM 803 O PHE A 53 -1.783 5.869 -3.228 1.00 0.00 O ATOM 804 CB PHE A 53 -1.154 5.539 -6.468 1.00 0.00 C ATOM 805 CG PHE A 53 -1.666 5.140 -7.823 1.00 0.00 C ATOM 806 CD1 PHE A 53 -1.284 3.938 -8.396 1.00 0.00 C ATOM 807 CD2 PHE A 53 -2.529 5.968 -8.523 1.00 0.00 C ATOM 808 CE1 PHE A 53 -1.753 3.569 -9.643 1.00 0.00 C ATOM 809 CE2 PHE A 53 -3.002 5.604 -9.770 1.00 0.00 C ATOM 810 CZ PHE A 53 -2.614 4.402 -10.330 1.00 0.00 C ATOM 0 H PHE A 53 -3.543 5.748 -5.428 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.465 3.654 -5.483 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.392 6.588 -6.293 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -0.067 5.453 -6.459 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -0.612 3.282 -7.863 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -2.836 6.908 -8.089 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -1.446 2.630 -10.080 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -3.674 6.258 -10.306 1.00 0.00 H new ATOM 0 HZ PHE A 53 -2.983 4.114 -11.303 1.00 0.00 H new ATOM 820 N PHE A 54 0.096 4.737 -3.730 1.00 0.00 N ATOM 821 CA PHE A 54 0.776 5.100 -2.493 1.00 0.00 C ATOM 822 C PHE A 54 2.288 4.960 -2.643 1.00 0.00 C ATOM 823 O PHE A 54 2.790 4.076 -3.337 1.00 0.00 O ATOM 824 CB PHE A 54 0.284 4.223 -1.339 1.00 0.00 C ATOM 825 CG PHE A 54 0.734 2.794 -1.438 1.00 0.00 C ATOM 826 CD1 PHE A 54 2.049 2.448 -1.170 1.00 0.00 C ATOM 827 CD2 PHE A 54 -0.157 1.796 -1.798 1.00 0.00 C ATOM 828 CE1 PHE A 54 2.467 1.134 -1.261 1.00 0.00 C ATOM 829 CE2 PHE A 54 0.255 0.479 -1.890 1.00 0.00 C ATOM 830 CZ PHE A 54 1.568 0.148 -1.620 1.00 0.00 C ATOM 0 H PHE A 54 0.645 4.146 -4.355 1.00 0.00 H new ATOM 0 HA PHE A 54 0.545 6.142 -2.273 1.00 0.00 H new ATOM 0 HB2 PHE A 54 0.639 4.643 -0.398 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -0.805 4.251 -1.311 1.00 0.00 H new ATOM 0 HD1 PHE A 54 2.755 3.214 -0.887 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -1.185 2.049 -2.009 1.00 0.00 H new ATOM 0 HE1 PHE A 54 3.495 0.878 -1.052 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -0.449 -0.289 -2.173 1.00 0.00 H new ATOM 0 HZ PHE A 54 1.892 -0.880 -1.689 1.00 0.00 H new ATOM 840 N PRO A 55 3.033 5.855 -1.977 1.00 0.00 N ATOM 841 CA PRO A 55 4.499 5.854 -2.020 1.00 0.00 C ATOM 842 C PRO A 55 5.099 4.660 -1.284 1.00 0.00 C ATOM 843 O PRO A 55 4.597 4.247 -0.239 1.00 0.00 O ATOM 844 CB PRO A 55 4.875 7.160 -1.316 1.00 0.00 C ATOM 845 CG PRO A 55 3.723 7.453 -0.419 1.00 0.00 C ATOM 846 CD PRO A 55 2.502 6.937 -1.130 1.00 0.00 C ATOM 0 HA PRO A 55 4.877 5.779 -3.039 1.00 0.00 H new ATOM 0 HB2 PRO A 55 5.800 7.052 -0.750 1.00 0.00 H new ATOM 0 HB3 PRO A 55 5.033 7.965 -2.034 1.00 0.00 H new ATOM 0 HG2 PRO A 55 3.847 6.965 0.548 1.00 0.00 H new ATOM 0 HG3 PRO A 55 3.640 8.523 -0.227 1.00 0.00 H new ATOM 0 HD2 PRO A 55 1.754 6.568 -0.428 1.00 0.00 H new ATOM 0 HD3 PRO A 55 2.024 7.715 -1.725 1.00 0.00 H new ATOM 854 N ALA A 56 6.175 4.111 -1.836 1.00 0.00 N ATOM 855 CA ALA A 56 6.845 2.967 -1.231 1.00 0.00 C ATOM 856 C ALA A 56 7.502 3.351 0.090 1.00 0.00 C ATOM 857 O ALA A 56 7.558 2.551 1.023 1.00 0.00 O ATOM 858 CB ALA A 56 7.878 2.392 -2.189 1.00 0.00 C ATOM 0 H ALA A 56 6.602 4.440 -2.702 1.00 0.00 H new ATOM 0 HA ALA A 56 6.093 2.205 -1.025 1.00 0.00 H new ATOM 0 HB1 ALA A 56 8.370 1.538 -1.724 1.00 0.00 H new ATOM 0 HB2 ALA A 56 7.384 2.071 -3.106 1.00 0.00 H new ATOM 0 HB3 ALA A 56 8.620 3.155 -2.424 1.00 0.00 H new ATOM 864 N ASN A 57 8.000 4.582 0.163 1.00 0.00 N ATOM 865 CA ASN A 57 8.655 5.072 1.370 1.00 0.00 C ATOM 866 C ASN A 57 7.700 5.036 2.559 1.00 0.00 C ATOM 867 O ASN A 57 8.129 4.986 3.712 1.00 0.00 O ATOM 868 CB ASN A 57 9.167 6.497 1.155 1.00 0.00 C ATOM 869 CG ASN A 57 10.355 6.825 2.039 1.00 0.00 C ATOM 870 OD1 ASN A 57 10.240 6.860 3.264 1.00 0.00 O ATOM 871 ND2 ASN A 57 11.504 7.066 1.420 1.00 0.00 N ATOM 0 H ASN A 57 7.962 5.258 -0.600 1.00 0.00 H new ATOM 0 HA ASN A 57 9.500 4.419 1.586 1.00 0.00 H new ATOM 0 HB2 ASN A 57 9.449 6.625 0.110 1.00 0.00 H new ATOM 0 HB3 ASN A 57 8.362 7.204 1.356 1.00 0.00 H new ATOM 0 HD21 ASN A 57 12.338 7.291 1.962 1.00 0.00 H new ATOM 0 HD22 ASN A 57 11.553 7.026 0.402 1.00 0.00 H new ATOM 878 N PHE A 58 6.403 5.062 2.271 1.00 0.00 N ATOM 879 CA PHE A 58 5.387 5.034 3.316 1.00 0.00 C ATOM 880 C PHE A 58 5.149 3.608 3.804 1.00 0.00 C ATOM 881 O PHE A 58 4.855 3.382 4.979 1.00 0.00 O ATOM 882 CB PHE A 58 4.077 5.633 2.800 1.00 0.00 C ATOM 883 CG PHE A 58 4.015 7.129 2.918 1.00 0.00 C ATOM 884 CD1 PHE A 58 5.022 7.921 2.391 1.00 0.00 C ATOM 885 CD2 PHE A 58 2.949 7.743 3.555 1.00 0.00 C ATOM 886 CE1 PHE A 58 4.968 9.298 2.499 1.00 0.00 C ATOM 887 CE2 PHE A 58 2.889 9.120 3.666 1.00 0.00 C ATOM 888 CZ PHE A 58 3.900 9.898 3.136 1.00 0.00 C ATOM 0 H PHE A 58 6.031 5.102 1.322 1.00 0.00 H new ATOM 0 HA PHE A 58 5.747 5.632 4.154 1.00 0.00 H new ATOM 0 HB2 PHE A 58 3.946 5.353 1.755 1.00 0.00 H new ATOM 0 HB3 PHE A 58 3.245 5.198 3.354 1.00 0.00 H new ATOM 0 HD1 PHE A 58 5.859 7.457 1.890 1.00 0.00 H new ATOM 0 HD2 PHE A 58 2.155 7.139 3.970 1.00 0.00 H new ATOM 0 HE1 PHE A 58 5.761 9.904 2.085 1.00 0.00 H new ATOM 0 HE2 PHE A 58 2.053 9.586 4.166 1.00 0.00 H new ATOM 0 HZ PHE A 58 3.855 10.974 3.220 1.00 0.00 H new ATOM 898 N VAL A 59 5.277 2.647 2.894 1.00 0.00 N ATOM 899 CA VAL A 59 5.077 1.243 3.231 1.00 0.00 C ATOM 900 C VAL A 59 6.410 0.518 3.380 1.00 0.00 C ATOM 901 O VAL A 59 7.453 1.027 2.971 1.00 0.00 O ATOM 902 CB VAL A 59 4.231 0.525 2.162 1.00 0.00 C ATOM 903 CG1 VAL A 59 2.879 1.203 2.006 1.00 0.00 C ATOM 904 CG2 VAL A 59 4.973 0.485 0.834 1.00 0.00 C ATOM 0 H VAL A 59 5.518 2.816 1.917 1.00 0.00 H new ATOM 0 HA VAL A 59 4.545 1.218 4.182 1.00 0.00 H new ATOM 0 HB VAL A 59 4.060 -0.501 2.488 1.00 0.00 H new ATOM 0 HG11 VAL A 59 2.296 0.682 1.247 1.00 0.00 H new ATOM 0 HG12 VAL A 59 2.346 1.174 2.956 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.025 2.240 1.703 1.00 0.00 H new ATOM 0 HG21 VAL A 59 4.361 -0.026 0.090 1.00 0.00 H new ATOM 0 HG22 VAL A 59 5.176 1.502 0.500 1.00 0.00 H new ATOM 0 HG23 VAL A 59 5.914 -0.051 0.959 1.00 0.00 H new ATOM 914 N GLN A 60 6.367 -0.673 3.968 1.00 0.00 N ATOM 915 CA GLN A 60 7.572 -1.468 4.171 1.00 0.00 C ATOM 916 C GLN A 60 7.308 -2.941 3.881 1.00 0.00 C ATOM 917 O GLN A 60 6.502 -3.582 4.556 1.00 0.00 O ATOM 918 CB GLN A 60 8.082 -1.302 5.604 1.00 0.00 C ATOM 919 CG GLN A 60 9.314 -2.138 5.911 1.00 0.00 C ATOM 920 CD GLN A 60 9.805 -1.952 7.334 1.00 0.00 C ATOM 921 OE1 GLN A 60 10.941 -1.535 7.561 1.00 0.00 O ATOM 922 NE2 GLN A 60 8.949 -2.262 8.301 1.00 0.00 N ATOM 0 H GLN A 60 5.511 -1.108 4.312 1.00 0.00 H new ATOM 0 HA GLN A 60 8.333 -1.111 3.477 1.00 0.00 H new ATOM 0 HB2 GLN A 60 8.313 -0.251 5.779 1.00 0.00 H new ATOM 0 HB3 GLN A 60 7.286 -1.574 6.298 1.00 0.00 H new ATOM 0 HG2 GLN A 60 9.085 -3.191 5.744 1.00 0.00 H new ATOM 0 HG3 GLN A 60 10.112 -1.871 5.218 1.00 0.00 H new ATOM 0 HE21 GLN A 60 8.017 -2.604 8.067 1.00 0.00 H new ATOM 0 HE22 GLN A 60 9.223 -2.158 9.278 1.00 0.00 H new ATOM 931 N ARG A 61 7.991 -3.472 2.872 1.00 0.00 N ATOM 932 CA ARG A 61 7.829 -4.870 2.491 1.00 0.00 C ATOM 933 C ARG A 61 7.732 -5.762 3.725 1.00 0.00 C ATOM 934 O ARG A 61 8.482 -5.592 4.688 1.00 0.00 O ATOM 935 CB ARG A 61 8.998 -5.321 1.613 1.00 0.00 C ATOM 936 CG ARG A 61 8.864 -6.747 1.106 1.00 0.00 C ATOM 937 CD ARG A 61 9.925 -7.071 0.065 1.00 0.00 C ATOM 938 NE ARG A 61 9.459 -8.060 -0.902 1.00 0.00 N ATOM 939 CZ ARG A 61 10.114 -8.363 -2.018 1.00 0.00 C ATOM 940 NH1 ARG A 61 11.257 -7.755 -2.304 1.00 0.00 N ATOM 941 NH2 ARG A 61 9.626 -9.275 -2.849 1.00 0.00 N ATOM 0 H ARG A 61 8.662 -2.955 2.304 1.00 0.00 H new ATOM 0 HA ARG A 61 6.902 -4.961 1.924 1.00 0.00 H new ATOM 0 HB2 ARG A 61 9.082 -4.648 0.760 1.00 0.00 H new ATOM 0 HB3 ARG A 61 9.924 -5.232 2.181 1.00 0.00 H new ATOM 0 HG2 ARG A 61 8.949 -7.441 1.942 1.00 0.00 H new ATOM 0 HG3 ARG A 61 7.873 -6.889 0.674 1.00 0.00 H new ATOM 0 HD2 ARG A 61 10.210 -6.158 -0.459 1.00 0.00 H new ATOM 0 HD3 ARG A 61 10.819 -7.445 0.563 1.00 0.00 H new ATOM 0 HE ARG A 61 8.582 -8.545 -0.711 1.00 0.00 H new ATOM 0 HH11 ARG A 61 11.635 -7.054 -1.667 1.00 0.00 H new ATOM 0 HH12 ARG A 61 11.758 -7.989 -3.161 1.00 0.00 H new ATOM 0 HH21 ARG A 61 8.747 -9.745 -2.632 1.00 0.00 H new ATOM 0 HH22 ARG A 61 10.130 -9.506 -3.705 1.00 0.00 H new ATOM 955 N LEU A 62 6.805 -6.713 3.691 1.00 0.00 N ATOM 956 CA LEU A 62 6.609 -7.632 4.807 1.00 0.00 C ATOM 957 C LEU A 62 7.336 -8.950 4.560 1.00 0.00 C ATOM 958 O LEU A 62 6.786 -9.869 3.953 1.00 0.00 O ATOM 959 CB LEU A 62 5.117 -7.892 5.024 1.00 0.00 C ATOM 960 CG LEU A 62 4.370 -6.853 5.861 1.00 0.00 C ATOM 961 CD1 LEU A 62 2.880 -6.896 5.559 1.00 0.00 C ATOM 962 CD2 LEU A 62 4.622 -7.082 7.344 1.00 0.00 C ATOM 0 H LEU A 62 6.177 -6.868 2.902 1.00 0.00 H new ATOM 0 HA LEU A 62 7.025 -7.171 5.703 1.00 0.00 H new ATOM 0 HB2 LEU A 62 4.635 -7.959 4.049 1.00 0.00 H new ATOM 0 HB3 LEU A 62 5.004 -8.865 5.503 1.00 0.00 H new ATOM 0 HG LEU A 62 4.745 -5.864 5.597 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.365 -6.150 6.164 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.717 -6.683 4.503 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.490 -7.886 5.794 1.00 0.00 H new ATOM 0 HD21 LEU A 62 4.083 -6.333 7.925 1.00 0.00 H new ATOM 0 HD22 LEU A 62 4.275 -8.077 7.623 1.00 0.00 H new ATOM 0 HD23 LEU A 62 5.689 -7.000 7.549 1.00 0.00 H new