USER MOD reduce.3.24.130724 H: found=0, std=0, add=420, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 419 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: X 16 THR OG1 : rot -145:sc= 0.317 USER MOD Set 1.2: X 33 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: X 1 MET N :NH3+ 171:sc= -0.618 (180deg=-0.656) USER MOD Set 2.2: X 2 GLN : amide:sc= -5.55! C(o=-6.2!,f=-11!) USER MOD Single : X 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : X 3 TYR OH : rot -66:sc= -6.51! USER MOD Single : X 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 8 ASN : amide:sc= -1.5 K(o=-1.5,f=-9.3!) USER MOD Single : X 10 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0227) USER MOD Single : X 11 THR OG1 : rot 180:sc= 0 USER MOD Single : X 13 LYS NZ :NH3+ -109:sc= -0.0356 (180deg=-0.48) USER MOD Single : X 17 THR OG1 : rot 26:sc= 0.0916 USER MOD Single : X 18 THR OG1 : rot 180:sc= -0.121 USER MOD Single : X 25 THR OG1 : rot 26:sc= -0.825! USER MOD Single : X 28 LYS NZ :NH3+ -120:sc= -1.39 (180deg=-2.13!) USER MOD Single : X 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 32 GLN : amide:sc= -5.92! C(o=-5.9!,f=-11!) USER MOD Single : X 35 ASN : amide:sc= -0.15 X(o=-0.15,f=0) USER MOD Single : X 37 ASN : amide:sc= 0.485 X(o=0.48,f=0) USER MOD Single : X 44 THR OG1 : rot 180:sc= 0 USER MOD Single : X 45 TYR OH : rot 180:sc= 0 USER MOD Single : X 49 THR OG1 : rot 180:sc= -0.075 USER MOD Single : X 50 LYS NZ :NH3+ 149:sc= -0.0838 (180deg=-0.595) USER MOD Single : X 51 THR OG1 : rot 64:sc= 1.11 USER MOD Single : X 53 THR OG1 : rot 170:sc= -1.33 USER MOD Single : X 55 THR OG1 : rot 180:sc=-0.00319 USER MOD ----------------------------------------------------------------- ATOM 1 N MET X 1 13.130 6.291 15.471 1.00 0.00 N ATOM 2 CA MET X 1 14.201 5.329 15.860 1.00 0.00 C ATOM 3 C MET X 1 14.257 4.197 14.843 1.00 0.00 C ATOM 4 O MET X 1 15.174 3.378 14.863 1.00 0.00 O ATOM 5 CB MET X 1 13.898 4.767 17.249 1.00 0.00 C ATOM 6 CG MET X 1 12.683 3.840 17.172 1.00 0.00 C ATOM 7 SD MET X 1 11.732 3.963 18.707 1.00 0.00 S ATOM 8 CE MET X 1 12.675 2.744 19.656 1.00 0.00 C ATOM 0 H1 MET X 1 12.986 6.979 16.238 1.00 0.00 H new ATOM 0 H2 MET X 1 13.412 6.792 14.605 1.00 0.00 H new ATOM 0 H3 MET X 1 12.244 5.774 15.299 1.00 0.00 H new ATOM 0 HA MET X 1 15.164 5.839 15.882 1.00 0.00 H new ATOM 0 HB2 MET X 1 14.762 4.221 17.628 1.00 0.00 H new ATOM 0 HB3 MET X 1 13.704 5.581 17.948 1.00 0.00 H new ATOM 0 HG2 MET X 1 12.058 4.112 16.322 1.00 0.00 H new ATOM 0 HG3 MET X 1 13.007 2.811 17.014 1.00 0.00 H new ATOM 0 HE1 MET X 1 12.253 2.657 20.657 1.00 0.00 H new ATOM 0 HE2 MET X 1 12.626 1.777 19.156 1.00 0.00 H new ATOM 0 HE3 MET X 1 13.715 3.064 19.727 1.00 0.00 H new ATOM 19 N GLN X 2 13.265 4.147 13.962 1.00 0.00 N ATOM 20 CA GLN X 2 13.215 3.101 12.948 1.00 0.00 C ATOM 21 C GLN X 2 13.887 3.564 11.658 1.00 0.00 C ATOM 22 O GLN X 2 13.614 4.656 11.160 1.00 0.00 O ATOM 23 CB GLN X 2 11.761 2.721 12.663 1.00 0.00 C ATOM 24 CG GLN X 2 11.148 3.731 11.692 1.00 0.00 C ATOM 25 CD GLN X 2 11.401 5.152 12.187 1.00 0.00 C ATOM 26 OE1 GLN X 2 11.241 5.434 13.374 1.00 0.00 O ATOM 27 NE2 GLN X 2 11.792 6.068 11.343 1.00 0.00 N ATOM 0 H GLN X 2 12.492 4.811 13.929 1.00 0.00 H new ATOM 0 HA GLN X 2 13.751 2.231 13.326 1.00 0.00 H new ATOM 0 HB2 GLN X 2 11.713 1.718 12.239 1.00 0.00 H new ATOM 0 HB3 GLN X 2 11.191 2.702 13.592 1.00 0.00 H new ATOM 0 HG2 GLN X 2 11.579 3.601 10.699 1.00 0.00 H new ATOM 0 HG3 GLN X 2 10.076 3.555 11.600 1.00 0.00 H new ATOM 0 HE21 GLN X 2 11.924 5.832 10.359 1.00 0.00 H new ATOM 0 HE22 GLN X 2 11.965 7.019 11.667 1.00 0.00 H new ATOM 36 N TYR X 3 14.760 2.717 11.122 1.00 0.00 N ATOM 37 CA TYR X 3 15.467 3.035 9.888 1.00 0.00 C ATOM 38 C TYR X 3 15.254 1.934 8.865 1.00 0.00 C ATOM 39 O TYR X 3 15.056 0.772 9.220 1.00 0.00 O ATOM 40 CB TYR X 3 16.963 3.190 10.158 1.00 0.00 C ATOM 41 CG TYR X 3 17.182 3.238 11.646 1.00 0.00 C ATOM 42 CD1 TYR X 3 16.890 2.115 12.424 1.00 0.00 C ATOM 43 CD2 TYR X 3 17.666 4.404 12.249 1.00 0.00 C ATOM 44 CE1 TYR X 3 17.081 2.155 13.806 1.00 0.00 C ATOM 45 CE2 TYR X 3 17.855 4.445 13.634 1.00 0.00 C ATOM 46 CZ TYR X 3 17.563 3.319 14.411 1.00 0.00 C ATOM 47 OH TYR X 3 17.742 3.356 15.777 1.00 0.00 O ATOM 0 H TYR X 3 14.994 1.808 11.522 1.00 0.00 H new ATOM 0 HA TYR X 3 15.073 3.974 9.498 1.00 0.00 H new ATOM 0 HB2 TYR X 3 17.514 2.357 9.722 1.00 0.00 H new ATOM 0 HB3 TYR X 3 17.339 4.100 9.691 1.00 0.00 H new ATOM 0 HD1 TYR X 3 16.517 1.216 11.956 1.00 0.00 H new ATOM 0 HD2 TYR X 3 17.893 5.271 11.646 1.00 0.00 H new ATOM 0 HE1 TYR X 3 16.856 1.287 14.408 1.00 0.00 H new ATOM 0 HE2 TYR X 3 18.226 5.344 14.103 1.00 0.00 H new ATOM 0 HH TYR X 3 16.872 3.290 16.223 1.00 0.00 H new ATOM 57 N LYS X 4 15.295 2.306 7.596 1.00 0.00 N ATOM 58 CA LYS X 4 15.103 1.333 6.533 1.00 0.00 C ATOM 59 C LYS X 4 16.332 1.253 5.649 1.00 0.00 C ATOM 60 O LYS X 4 16.942 2.268 5.315 1.00 0.00 O ATOM 61 CB LYS X 4 13.889 1.711 5.681 1.00 0.00 C ATOM 62 CG LYS X 4 13.941 0.942 4.359 1.00 0.00 C ATOM 63 CD LYS X 4 12.558 0.955 3.706 1.00 0.00 C ATOM 64 CE LYS X 4 11.969 2.363 3.788 1.00 0.00 C ATOM 65 NZ LYS X 4 10.830 2.481 2.833 1.00 0.00 N ATOM 0 H LYS X 4 15.457 3.262 7.279 1.00 0.00 H new ATOM 0 HA LYS X 4 14.934 0.360 6.994 1.00 0.00 H new ATOM 0 HB2 LYS X 4 12.968 1.477 6.215 1.00 0.00 H new ATOM 0 HB3 LYS X 4 13.883 2.784 5.491 1.00 0.00 H new ATOM 0 HG2 LYS X 4 14.674 1.395 3.691 1.00 0.00 H new ATOM 0 HG3 LYS X 4 14.262 -0.085 4.536 1.00 0.00 H new ATOM 0 HD2 LYS X 4 12.633 0.641 2.665 1.00 0.00 H new ATOM 0 HD3 LYS X 4 11.901 0.245 4.207 1.00 0.00 H new ATOM 0 HE2 LYS X 4 11.629 2.568 4.803 1.00 0.00 H new ATOM 0 HE3 LYS X 4 12.734 3.103 3.552 1.00 0.00 H new ATOM 0 HZ1 LYS X 4 10.429 3.439 2.888 1.00 0.00 H new ATOM 0 HZ2 LYS X 4 11.168 2.302 1.866 1.00 0.00 H new ATOM 0 HZ3 LYS X 4 10.098 1.784 3.078 1.00 0.00 H new ATOM 79 N LEU X 5 16.680 0.038 5.263 1.00 0.00 N ATOM 80 CA LEU X 5 17.827 -0.175 4.403 1.00 0.00 C ATOM 81 C LEU X 5 17.357 -0.721 3.059 1.00 0.00 C ATOM 82 O LEU X 5 16.774 -1.802 2.988 1.00 0.00 O ATOM 83 CB LEU X 5 18.799 -1.154 5.063 1.00 0.00 C ATOM 84 CG LEU X 5 19.968 -1.454 4.114 1.00 0.00 C ATOM 85 CD1 LEU X 5 19.523 -2.441 3.030 1.00 0.00 C ATOM 86 CD2 LEU X 5 20.444 -0.153 3.454 1.00 0.00 C ATOM 0 H LEU X 5 16.185 -0.813 5.531 1.00 0.00 H new ATOM 0 HA LEU X 5 18.343 0.772 4.243 1.00 0.00 H new ATOM 0 HB2 LEU X 5 19.176 -0.733 5.995 1.00 0.00 H new ATOM 0 HB3 LEU X 5 18.280 -2.078 5.318 1.00 0.00 H new ATOM 0 HG LEU X 5 20.785 -1.894 4.686 1.00 0.00 H new ATOM 0 HD11 LEU X 5 20.359 -2.648 2.361 1.00 0.00 H new ATOM 0 HD12 LEU X 5 19.193 -3.369 3.496 1.00 0.00 H new ATOM 0 HD13 LEU X 5 18.701 -2.009 2.460 1.00 0.00 H new ATOM 0 HD21 LEU X 5 21.274 -0.369 2.781 1.00 0.00 H new ATOM 0 HD22 LEU X 5 19.624 0.289 2.889 1.00 0.00 H new ATOM 0 HD23 LEU X 5 20.773 0.546 4.223 1.00 0.00 H new ATOM 98 N ILE X 6 17.607 0.039 1.999 1.00 0.00 N ATOM 99 CA ILE X 6 17.198 -0.373 0.663 1.00 0.00 C ATOM 100 C ILE X 6 18.407 -0.602 -0.225 1.00 0.00 C ATOM 101 O ILE X 6 19.330 0.210 -0.256 1.00 0.00 O ATOM 102 CB ILE X 6 16.307 0.695 0.036 1.00 0.00 C ATOM 103 CG1 ILE X 6 14.882 0.530 0.558 1.00 0.00 C ATOM 104 CG2 ILE X 6 16.316 0.542 -1.487 1.00 0.00 C ATOM 105 CD1 ILE X 6 14.142 -0.505 -0.289 1.00 0.00 C ATOM 0 H ILE X 6 18.088 0.938 2.038 1.00 0.00 H new ATOM 0 HA ILE X 6 16.644 -1.307 0.752 1.00 0.00 H new ATOM 0 HB ILE X 6 16.681 1.684 0.300 1.00 0.00 H new ATOM 0 HG12 ILE X 6 14.900 0.215 1.601 1.00 0.00 H new ATOM 0 HG13 ILE X 6 14.358 1.485 0.523 1.00 0.00 H new ATOM 0 HG21 ILE X 6 15.679 1.306 -1.933 1.00 0.00 H new ATOM 0 HG22 ILE X 6 17.334 0.657 -1.858 1.00 0.00 H new ATOM 0 HG23 ILE X 6 15.941 -0.446 -1.756 1.00 0.00 H new ATOM 0 HD11 ILE X 6 13.125 -0.621 0.085 1.00 0.00 H new ATOM 0 HD12 ILE X 6 14.111 -0.171 -1.326 1.00 0.00 H new ATOM 0 HD13 ILE X 6 14.662 -1.461 -0.231 1.00 0.00 H new ATOM 117 N LEU X 7 18.399 -1.708 -0.951 1.00 0.00 N ATOM 118 CA LEU X 7 19.502 -2.021 -1.842 1.00 0.00 C ATOM 119 C LEU X 7 19.046 -1.964 -3.293 1.00 0.00 C ATOM 120 O LEU X 7 18.122 -2.673 -3.693 1.00 0.00 O ATOM 121 CB LEU X 7 20.047 -3.413 -1.529 1.00 0.00 C ATOM 122 CG LEU X 7 20.402 -3.495 -0.045 1.00 0.00 C ATOM 123 CD1 LEU X 7 21.173 -4.787 0.222 1.00 0.00 C ATOM 124 CD2 LEU X 7 21.269 -2.294 0.336 1.00 0.00 C ATOM 0 H LEU X 7 17.648 -2.398 -0.941 1.00 0.00 H new ATOM 0 HA LEU X 7 20.290 -1.283 -1.691 1.00 0.00 H new ATOM 0 HB2 LEU X 7 19.305 -4.171 -1.780 1.00 0.00 H new ATOM 0 HB3 LEU X 7 20.928 -3.616 -2.137 1.00 0.00 H new ATOM 0 HG LEU X 7 19.489 -3.488 0.550 1.00 0.00 H new ATOM 0 HD11 LEU X 7 21.427 -4.847 1.280 1.00 0.00 H new ATOM 0 HD12 LEU X 7 20.556 -5.642 -0.052 1.00 0.00 H new ATOM 0 HD13 LEU X 7 22.087 -4.794 -0.372 1.00 0.00 H new ATOM 0 HD21 LEU X 7 21.524 -2.350 1.394 1.00 0.00 H new ATOM 0 HD22 LEU X 7 22.183 -2.302 -0.258 1.00 0.00 H new ATOM 0 HD23 LEU X 7 20.719 -1.373 0.144 1.00 0.00 H new ATOM 136 N ASN X 8 19.703 -1.119 -4.076 1.00 0.00 N ATOM 137 CA ASN X 8 19.368 -0.975 -5.483 1.00 0.00 C ATOM 138 C ASN X 8 20.606 -1.210 -6.333 1.00 0.00 C ATOM 139 O ASN X 8 21.605 -1.746 -5.854 1.00 0.00 O ATOM 140 CB ASN X 8 18.817 0.426 -5.753 1.00 0.00 C ATOM 141 CG ASN X 8 17.421 0.563 -5.154 1.00 0.00 C ATOM 142 OD1 ASN X 8 17.094 -0.112 -4.178 1.00 0.00 O ATOM 143 ND2 ASN X 8 16.574 1.402 -5.684 1.00 0.00 N ATOM 0 H ASN X 8 20.469 -0.525 -3.760 1.00 0.00 H new ATOM 0 HA ASN X 8 18.607 -1.711 -5.741 1.00 0.00 H new ATOM 0 HB2 ASN X 8 19.481 1.176 -5.323 1.00 0.00 H new ATOM 0 HB3 ASN X 8 18.781 0.611 -6.827 1.00 0.00 H new ATOM 0 HD21 ASN X 8 15.638 1.500 -5.290 1.00 0.00 H new ATOM 0 HD22 ASN X 8 16.847 1.960 -6.493 1.00 0.00 H new ATOM 150 N GLY X 9 20.542 -0.809 -7.594 1.00 0.00 N ATOM 151 CA GLY X 9 21.676 -0.988 -8.491 1.00 0.00 C ATOM 152 C GLY X 9 21.233 -1.555 -9.834 1.00 0.00 C ATOM 153 O GLY X 9 20.053 -1.832 -10.048 1.00 0.00 O ATOM 0 H GLY X 9 19.728 -0.363 -8.016 1.00 0.00 H new ATOM 0 HA2 GLY X 9 22.176 -0.032 -8.644 1.00 0.00 H new ATOM 0 HA3 GLY X 9 22.403 -1.658 -8.033 1.00 0.00 H new ATOM 157 N LYS X 10 22.194 -1.716 -10.737 1.00 0.00 N ATOM 158 CA LYS X 10 21.911 -2.240 -12.068 1.00 0.00 C ATOM 159 C LYS X 10 21.491 -3.707 -12.006 1.00 0.00 C ATOM 160 O LYS X 10 20.491 -4.097 -12.608 1.00 0.00 O ATOM 161 CB LYS X 10 23.154 -2.100 -12.947 1.00 0.00 C ATOM 162 CG LYS X 10 24.403 -2.141 -12.066 1.00 0.00 C ATOM 163 CD LYS X 10 25.649 -2.270 -12.943 1.00 0.00 C ATOM 164 CE LYS X 10 26.887 -1.890 -12.127 1.00 0.00 C ATOM 165 NZ LYS X 10 27.127 -2.924 -11.082 1.00 0.00 N ATOM 0 H LYS X 10 23.175 -1.491 -10.572 1.00 0.00 H new ATOM 0 HA LYS X 10 21.087 -1.667 -12.494 1.00 0.00 H new ATOM 0 HB2 LYS X 10 23.187 -2.905 -13.682 1.00 0.00 H new ATOM 0 HB3 LYS X 10 23.117 -1.163 -13.502 1.00 0.00 H new ATOM 0 HG2 LYS X 10 24.464 -1.235 -11.462 1.00 0.00 H new ATOM 0 HG3 LYS X 10 24.345 -2.982 -11.375 1.00 0.00 H new ATOM 0 HD2 LYS X 10 25.743 -3.291 -13.313 1.00 0.00 H new ATOM 0 HD3 LYS X 10 25.562 -1.622 -13.815 1.00 0.00 H new ATOM 0 HE2 LYS X 10 27.756 -1.809 -12.780 1.00 0.00 H new ATOM 0 HE3 LYS X 10 26.745 -0.914 -11.663 1.00 0.00 H new ATOM 0 HZ1 LYS X 10 28.023 -2.722 -10.594 1.00 0.00 H new ATOM 0 HZ2 LYS X 10 26.347 -2.910 -10.394 1.00 0.00 H new ATOM 0 HZ3 LYS X 10 27.179 -3.862 -11.528 1.00 0.00 H new ATOM 179 N THR X 11 22.263 -4.516 -11.286 1.00 0.00 N ATOM 180 CA THR X 11 21.956 -5.939 -11.171 1.00 0.00 C ATOM 181 C THR X 11 21.810 -6.353 -9.710 1.00 0.00 C ATOM 182 O THR X 11 21.785 -7.543 -9.395 1.00 0.00 O ATOM 183 CB THR X 11 23.069 -6.765 -11.820 1.00 0.00 C ATOM 184 OG1 THR X 11 24.290 -6.534 -11.131 1.00 0.00 O ATOM 185 CG2 THR X 11 23.224 -6.359 -13.287 1.00 0.00 C ATOM 0 H THR X 11 23.096 -4.216 -10.779 1.00 0.00 H new ATOM 0 HA THR X 11 21.011 -6.122 -11.682 1.00 0.00 H new ATOM 0 HB THR X 11 22.814 -7.823 -11.765 1.00 0.00 H new ATOM 0 HG1 THR X 11 25.004 -7.063 -11.544 1.00 0.00 H new ATOM 0 HG21 THR X 11 24.017 -6.949 -13.746 1.00 0.00 H new ATOM 0 HG22 THR X 11 22.287 -6.538 -13.815 1.00 0.00 H new ATOM 0 HG23 THR X 11 23.478 -5.301 -13.347 1.00 0.00 H new ATOM 193 N LEU X 12 21.712 -5.371 -8.818 1.00 0.00 N ATOM 194 CA LEU X 12 21.569 -5.668 -7.397 1.00 0.00 C ATOM 195 C LEU X 12 20.442 -4.855 -6.778 1.00 0.00 C ATOM 196 O LEU X 12 20.578 -3.652 -6.562 1.00 0.00 O ATOM 197 CB LEU X 12 22.872 -5.360 -6.657 1.00 0.00 C ATOM 198 CG LEU X 12 22.899 -6.114 -5.323 1.00 0.00 C ATOM 199 CD1 LEU X 12 21.658 -5.771 -4.498 1.00 0.00 C ATOM 200 CD2 LEU X 12 22.928 -7.621 -5.592 1.00 0.00 C ATOM 0 H LEU X 12 21.729 -4.378 -9.049 1.00 0.00 H new ATOM 0 HA LEU X 12 21.333 -6.728 -7.303 1.00 0.00 H new ATOM 0 HB2 LEU X 12 23.726 -5.652 -7.268 1.00 0.00 H new ATOM 0 HB3 LEU X 12 22.957 -4.288 -6.481 1.00 0.00 H new ATOM 0 HG LEU X 12 23.789 -5.820 -4.767 1.00 0.00 H new ATOM 0 HD11 LEU X 12 21.688 -6.313 -3.553 1.00 0.00 H new ATOM 0 HD12 LEU X 12 21.637 -4.699 -4.302 1.00 0.00 H new ATOM 0 HD13 LEU X 12 20.763 -6.056 -5.051 1.00 0.00 H new ATOM 0 HD21 LEU X 12 22.947 -8.159 -4.644 1.00 0.00 H new ATOM 0 HD22 LEU X 12 22.039 -7.907 -6.154 1.00 0.00 H new ATOM 0 HD23 LEU X 12 23.818 -7.870 -6.169 1.00 0.00 H new ATOM 212 N LYS X 13 19.339 -5.525 -6.472 1.00 0.00 N ATOM 213 CA LYS X 13 18.207 -4.856 -5.850 1.00 0.00 C ATOM 214 C LYS X 13 17.662 -5.696 -4.709 1.00 0.00 C ATOM 215 O LYS X 13 17.579 -6.921 -4.809 1.00 0.00 O ATOM 216 CB LYS X 13 17.092 -4.608 -6.863 1.00 0.00 C ATOM 217 CG LYS X 13 15.861 -4.082 -6.118 1.00 0.00 C ATOM 218 CD LYS X 13 14.909 -3.417 -7.114 1.00 0.00 C ATOM 219 CE LYS X 13 14.209 -4.489 -7.952 1.00 0.00 C ATOM 220 NZ LYS X 13 14.934 -4.662 -9.243 1.00 0.00 N ATOM 0 H LYS X 13 19.205 -6.522 -6.643 1.00 0.00 H new ATOM 0 HA LYS X 13 18.558 -3.897 -5.467 1.00 0.00 H new ATOM 0 HB2 LYS X 13 17.416 -3.887 -7.613 1.00 0.00 H new ATOM 0 HB3 LYS X 13 16.849 -5.530 -7.391 1.00 0.00 H new ATOM 0 HG2 LYS X 13 15.355 -4.900 -5.606 1.00 0.00 H new ATOM 0 HG3 LYS X 13 16.163 -3.366 -5.354 1.00 0.00 H new ATOM 0 HD2 LYS X 13 14.170 -2.818 -6.581 1.00 0.00 H new ATOM 0 HD3 LYS X 13 15.462 -2.738 -7.763 1.00 0.00 H new ATOM 0 HE2 LYS X 13 14.184 -5.433 -7.407 1.00 0.00 H new ATOM 0 HE3 LYS X 13 13.174 -4.201 -8.139 1.00 0.00 H new ATOM 0 HZ1 LYS X 13 14.359 -4.275 -10.019 1.00 0.00 H new ATOM 0 HZ2 LYS X 13 15.843 -4.158 -9.201 1.00 0.00 H new ATOM 0 HZ3 LYS X 13 15.106 -5.674 -9.411 1.00 0.00 H new ATOM 234 N GLY X 14 17.288 -5.034 -3.625 1.00 0.00 N ATOM 235 CA GLY X 14 16.748 -5.732 -2.472 1.00 0.00 C ATOM 236 C GLY X 14 15.967 -4.779 -1.578 1.00 0.00 C ATOM 237 O GLY X 14 16.046 -3.561 -1.731 1.00 0.00 O ATOM 0 H GLY X 14 17.348 -4.021 -3.521 1.00 0.00 H new ATOM 0 HA2 GLY X 14 16.098 -6.542 -2.803 1.00 0.00 H new ATOM 0 HA3 GLY X 14 17.560 -6.187 -1.904 1.00 0.00 H new ATOM 241 N GLU X 15 15.226 -5.346 -0.632 1.00 0.00 N ATOM 242 CA GLU X 15 14.443 -4.546 0.302 1.00 0.00 C ATOM 243 C GLU X 15 14.584 -5.112 1.712 1.00 0.00 C ATOM 244 O GLU X 15 14.543 -6.326 1.906 1.00 0.00 O ATOM 245 CB GLU X 15 12.968 -4.549 -0.109 1.00 0.00 C ATOM 246 CG GLU X 15 12.104 -4.152 1.090 1.00 0.00 C ATOM 247 CD GLU X 15 10.733 -3.687 0.614 1.00 0.00 C ATOM 248 OE1 GLU X 15 10.204 -4.301 -0.297 1.00 0.00 O ATOM 249 OE2 GLU X 15 10.230 -2.723 1.170 1.00 0.00 O ATOM 0 H GLU X 15 15.151 -6.354 -0.492 1.00 0.00 H new ATOM 0 HA GLU X 15 14.814 -3.521 0.285 1.00 0.00 H new ATOM 0 HB2 GLU X 15 12.807 -3.853 -0.933 1.00 0.00 H new ATOM 0 HB3 GLU X 15 12.681 -5.538 -0.466 1.00 0.00 H new ATOM 0 HG2 GLU X 15 11.995 -5.000 1.766 1.00 0.00 H new ATOM 0 HG3 GLU X 15 12.592 -3.356 1.653 1.00 0.00 H new ATOM 256 N THR X 16 14.772 -4.232 2.690 1.00 0.00 N ATOM 257 CA THR X 16 14.943 -4.676 4.070 1.00 0.00 C ATOM 258 C THR X 16 14.221 -3.756 5.052 1.00 0.00 C ATOM 259 O THR X 16 13.893 -2.614 4.731 1.00 0.00 O ATOM 260 CB THR X 16 16.434 -4.698 4.415 1.00 0.00 C ATOM 261 OG1 THR X 16 17.178 -5.075 3.265 1.00 0.00 O ATOM 262 CG2 THR X 16 16.690 -5.701 5.541 1.00 0.00 C ATOM 0 H THR X 16 14.810 -3.221 2.557 1.00 0.00 H new ATOM 0 HA THR X 16 14.513 -5.674 4.156 1.00 0.00 H new ATOM 0 HB THR X 16 16.744 -3.705 4.742 1.00 0.00 H new ATOM 0 HG1 THR X 16 17.955 -5.607 3.538 1.00 0.00 H new ATOM 0 HG21 THR X 16 17.753 -5.713 5.783 1.00 0.00 H new ATOM 0 HG22 THR X 16 16.120 -5.410 6.424 1.00 0.00 H new ATOM 0 HG23 THR X 16 16.380 -6.695 5.220 1.00 0.00 H new ATOM 270 N THR X 17 13.999 -4.270 6.257 1.00 0.00 N ATOM 271 CA THR X 17 13.339 -3.507 7.310 1.00 0.00 C ATOM 272 C THR X 17 13.999 -3.817 8.650 1.00 0.00 C ATOM 273 O THR X 17 14.203 -4.981 8.991 1.00 0.00 O ATOM 274 CB THR X 17 11.854 -3.871 7.366 1.00 0.00 C ATOM 275 OG1 THR X 17 11.716 -5.286 7.419 1.00 0.00 O ATOM 276 CG2 THR X 17 11.153 -3.336 6.117 1.00 0.00 C ATOM 0 H THR X 17 14.268 -5.216 6.529 1.00 0.00 H new ATOM 0 HA THR X 17 13.433 -2.442 7.097 1.00 0.00 H new ATOM 0 HB THR X 17 11.402 -3.429 8.254 1.00 0.00 H new ATOM 0 HG1 THR X 17 12.526 -5.679 7.806 1.00 0.00 H new ATOM 0 HG21 THR X 17 10.095 -3.594 6.155 1.00 0.00 H new ATOM 0 HG22 THR X 17 11.261 -2.252 6.075 1.00 0.00 H new ATOM 0 HG23 THR X 17 11.603 -3.780 5.229 1.00 0.00 H new ATOM 284 N THR X 18 14.350 -2.777 9.400 1.00 0.00 N ATOM 285 CA THR X 18 15.006 -2.980 10.688 1.00 0.00 C ATOM 286 C THR X 18 14.621 -1.904 11.692 1.00 0.00 C ATOM 287 O THR X 18 14.370 -0.754 11.330 1.00 0.00 O ATOM 288 CB THR X 18 16.521 -2.963 10.504 1.00 0.00 C ATOM 289 OG1 THR X 18 16.847 -3.497 9.228 1.00 0.00 O ATOM 290 CG2 THR X 18 17.180 -3.807 11.597 1.00 0.00 C ATOM 0 H THR X 18 14.195 -1.802 9.145 1.00 0.00 H new ATOM 0 HA THR X 18 14.679 -3.946 11.074 1.00 0.00 H new ATOM 0 HB THR X 18 16.884 -1.938 10.573 1.00 0.00 H new ATOM 0 HG1 THR X 18 17.819 -3.486 9.107 1.00 0.00 H new ATOM 0 HG21 THR X 18 18.262 -3.794 11.464 1.00 0.00 H new ATOM 0 HG22 THR X 18 16.929 -3.396 12.575 1.00 0.00 H new ATOM 0 HG23 THR X 18 16.819 -4.833 11.532 1.00 0.00 H new ATOM 298 N GLU X 19 14.592 -2.293 12.960 1.00 0.00 N ATOM 299 CA GLU X 19 14.257 -1.372 14.035 1.00 0.00 C ATOM 300 C GLU X 19 15.335 -1.425 15.113 1.00 0.00 C ATOM 301 O GLU X 19 15.788 -2.506 15.492 1.00 0.00 O ATOM 302 CB GLU X 19 12.906 -1.750 14.637 1.00 0.00 C ATOM 303 CG GLU X 19 12.110 -0.479 14.923 1.00 0.00 C ATOM 304 CD GLU X 19 12.898 0.434 15.855 1.00 0.00 C ATOM 305 OE1 GLU X 19 12.953 0.134 17.037 1.00 0.00 O ATOM 306 OE2 GLU X 19 13.433 1.418 15.374 1.00 0.00 O ATOM 0 H GLU X 19 14.797 -3.243 13.269 1.00 0.00 H new ATOM 0 HA GLU X 19 14.200 -0.360 13.635 1.00 0.00 H new ATOM 0 HB2 GLU X 19 12.355 -2.391 13.949 1.00 0.00 H new ATOM 0 HB3 GLU X 19 13.050 -2.318 15.556 1.00 0.00 H new ATOM 0 HG2 GLU X 19 11.893 0.041 13.990 1.00 0.00 H new ATOM 0 HG3 GLU X 19 11.152 -0.735 15.376 1.00 0.00 H new ATOM 313 N ALA X 20 15.754 -0.262 15.599 1.00 0.00 N ATOM 314 CA ALA X 20 16.788 -0.219 16.625 1.00 0.00 C ATOM 315 C ALA X 20 16.553 0.914 17.610 1.00 0.00 C ATOM 316 O ALA X 20 15.631 1.715 17.455 1.00 0.00 O ATOM 317 CB ALA X 20 18.162 -0.033 15.983 1.00 0.00 C ATOM 0 H ALA X 20 15.401 0.649 15.305 1.00 0.00 H new ATOM 0 HA ALA X 20 16.748 -1.166 17.163 1.00 0.00 H new ATOM 0 HB1 ALA X 20 18.926 -0.002 16.760 1.00 0.00 H new ATOM 0 HB2 ALA X 20 18.364 -0.865 15.308 1.00 0.00 H new ATOM 0 HB3 ALA X 20 18.178 0.901 15.422 1.00 0.00 H new ATOM 323 N VAL X 21 17.413 0.973 18.617 1.00 0.00 N ATOM 324 CA VAL X 21 17.328 2.009 19.632 1.00 0.00 C ATOM 325 C VAL X 21 17.769 3.340 19.051 1.00 0.00 C ATOM 326 O VAL X 21 17.196 4.387 19.352 1.00 0.00 O ATOM 327 CB VAL X 21 18.238 1.659 20.803 1.00 0.00 C ATOM 328 CG1 VAL X 21 18.174 2.772 21.848 1.00 0.00 C ATOM 329 CG2 VAL X 21 17.773 0.342 21.432 1.00 0.00 C ATOM 0 H VAL X 21 18.179 0.313 18.751 1.00 0.00 H new ATOM 0 HA VAL X 21 16.295 2.081 19.973 1.00 0.00 H new ATOM 0 HB VAL X 21 19.263 1.552 20.448 1.00 0.00 H new ATOM 0 HG11 VAL X 21 18.825 2.522 22.686 1.00 0.00 H new ATOM 0 HG12 VAL X 21 18.502 3.710 21.401 1.00 0.00 H new ATOM 0 HG13 VAL X 21 17.149 2.879 22.204 1.00 0.00 H new ATOM 0 HG21 VAL X 21 18.423 0.090 22.270 1.00 0.00 H new ATOM 0 HG22 VAL X 21 16.748 0.450 21.787 1.00 0.00 H new ATOM 0 HG23 VAL X 21 17.817 -0.452 20.687 1.00 0.00 H new ATOM 339 N ASP X 22 18.795 3.287 18.218 1.00 0.00 N ATOM 340 CA ASP X 22 19.320 4.487 17.593 1.00 0.00 C ATOM 341 C ASP X 22 19.984 4.139 16.274 1.00 0.00 C ATOM 342 O ASP X 22 20.218 2.968 15.974 1.00 0.00 O ATOM 343 CB ASP X 22 20.338 5.155 18.515 1.00 0.00 C ATOM 344 CG ASP X 22 21.601 4.306 18.596 1.00 0.00 C ATOM 345 OD1 ASP X 22 22.373 4.338 17.652 1.00 0.00 O ATOM 346 OD2 ASP X 22 21.779 3.636 19.600 1.00 0.00 O ATOM 0 H ASP X 22 19.279 2.427 17.960 1.00 0.00 H new ATOM 0 HA ASP X 22 18.495 5.175 17.410 1.00 0.00 H new ATOM 0 HB2 ASP X 22 20.582 6.150 18.142 1.00 0.00 H new ATOM 0 HB3 ASP X 22 19.911 5.283 19.510 1.00 0.00 H new ATOM 351 N ALA X 23 20.281 5.164 15.483 1.00 0.00 N ATOM 352 CA ALA X 23 20.917 4.955 14.189 1.00 0.00 C ATOM 353 C ALA X 23 22.357 4.502 14.371 1.00 0.00 C ATOM 354 O ALA X 23 22.893 3.763 13.546 1.00 0.00 O ATOM 355 CB ALA X 23 20.885 6.249 13.375 1.00 0.00 C ATOM 0 H ALA X 23 20.093 6.140 15.713 1.00 0.00 H new ATOM 0 HA ALA X 23 20.368 4.179 13.656 1.00 0.00 H new ATOM 0 HB1 ALA X 23 21.363 6.083 12.409 1.00 0.00 H new ATOM 0 HB2 ALA X 23 19.851 6.556 13.220 1.00 0.00 H new ATOM 0 HB3 ALA X 23 21.419 7.031 13.914 1.00 0.00 H new ATOM 361 N ALA X 24 22.979 4.940 15.461 1.00 0.00 N ATOM 362 CA ALA X 24 24.354 4.556 15.730 1.00 0.00 C ATOM 363 C ALA X 24 24.454 3.038 15.764 1.00 0.00 C ATOM 364 O ALA X 24 25.440 2.457 15.310 1.00 0.00 O ATOM 365 CB ALA X 24 24.814 5.134 17.070 1.00 0.00 C ATOM 0 H ALA X 24 22.558 5.551 16.161 1.00 0.00 H new ATOM 0 HA ALA X 24 24.996 4.949 14.941 1.00 0.00 H new ATOM 0 HB1 ALA X 24 25.846 4.838 17.259 1.00 0.00 H new ATOM 0 HB2 ALA X 24 24.748 6.222 17.039 1.00 0.00 H new ATOM 0 HB3 ALA X 24 24.176 4.754 17.868 1.00 0.00 H new ATOM 371 N THR X 25 23.411 2.401 16.288 1.00 0.00 N ATOM 372 CA THR X 25 23.376 0.948 16.356 1.00 0.00 C ATOM 373 C THR X 25 23.053 0.370 14.982 1.00 0.00 C ATOM 374 O THR X 25 23.715 -0.555 14.512 1.00 0.00 O ATOM 375 CB THR X 25 22.319 0.495 17.367 1.00 0.00 C ATOM 376 OG1 THR X 25 21.165 1.316 17.243 1.00 0.00 O ATOM 377 CG2 THR X 25 22.880 0.610 18.785 1.00 0.00 C ATOM 0 H THR X 25 22.586 2.865 16.668 1.00 0.00 H new ATOM 0 HA THR X 25 24.354 0.587 16.676 1.00 0.00 H new ATOM 0 HB THR X 25 22.050 -0.543 17.170 1.00 0.00 H new ATOM 0 HG1 THR X 25 21.116 1.676 16.333 1.00 0.00 H new ATOM 0 HG21 THR X 25 22.125 0.287 19.502 1.00 0.00 H new ATOM 0 HG22 THR X 25 23.764 -0.021 18.879 1.00 0.00 H new ATOM 0 HG23 THR X 25 23.151 1.646 18.986 1.00 0.00 H new ATOM 385 N ALA X 26 22.031 0.931 14.346 1.00 0.00 N ATOM 386 CA ALA X 26 21.619 0.479 13.023 1.00 0.00 C ATOM 387 C ALA X 26 22.682 0.824 11.988 1.00 0.00 C ATOM 388 O ALA X 26 22.939 0.051 11.064 1.00 0.00 O ATOM 389 CB ALA X 26 20.293 1.136 12.634 1.00 0.00 C ATOM 0 H ALA X 26 21.474 1.697 14.724 1.00 0.00 H new ATOM 0 HA ALA X 26 21.491 -0.603 13.052 1.00 0.00 H new ATOM 0 HB1 ALA X 26 19.993 0.792 11.644 1.00 0.00 H new ATOM 0 HB2 ALA X 26 19.526 0.865 13.360 1.00 0.00 H new ATOM 0 HB3 ALA X 26 20.414 2.219 12.621 1.00 0.00 H new ATOM 395 N GLU X 27 23.291 1.995 12.142 1.00 0.00 N ATOM 396 CA GLU X 27 24.319 2.447 11.210 1.00 0.00 C ATOM 397 C GLU X 27 25.432 1.417 11.087 1.00 0.00 C ATOM 398 O GLU X 27 25.909 1.133 9.989 1.00 0.00 O ATOM 399 CB GLU X 27 24.917 3.762 11.702 1.00 0.00 C ATOM 400 CG GLU X 27 26.274 3.988 11.036 1.00 0.00 C ATOM 401 CD GLU X 27 26.759 5.407 11.312 1.00 0.00 C ATOM 402 OE1 GLU X 27 26.261 6.317 10.670 1.00 0.00 O ATOM 403 OE2 GLU X 27 27.622 5.562 12.159 1.00 0.00 O ATOM 0 H GLU X 27 23.092 2.647 12.901 1.00 0.00 H new ATOM 0 HA GLU X 27 23.854 2.586 10.234 1.00 0.00 H new ATOM 0 HB2 GLU X 27 24.245 4.588 11.471 1.00 0.00 H new ATOM 0 HB3 GLU X 27 25.032 3.738 12.786 1.00 0.00 H new ATOM 0 HG2 GLU X 27 26.999 3.267 11.414 1.00 0.00 H new ATOM 0 HG3 GLU X 27 26.193 3.825 9.961 1.00 0.00 H new ATOM 410 N LYS X 28 25.841 0.862 12.217 1.00 0.00 N ATOM 411 CA LYS X 28 26.901 -0.135 12.222 1.00 0.00 C ATOM 412 C LYS X 28 26.404 -1.437 11.603 1.00 0.00 C ATOM 413 O LYS X 28 27.105 -2.073 10.817 1.00 0.00 O ATOM 414 CB LYS X 28 27.363 -0.383 13.656 1.00 0.00 C ATOM 415 CG LYS X 28 28.858 -0.712 13.671 1.00 0.00 C ATOM 416 CD LYS X 28 29.650 0.528 14.087 1.00 0.00 C ATOM 417 CE LYS X 28 29.425 1.649 13.069 1.00 0.00 C ATOM 418 NZ LYS X 28 29.952 1.225 11.741 1.00 0.00 N ATOM 0 H LYS X 28 25.459 1.083 13.137 1.00 0.00 H new ATOM 0 HA LYS X 28 27.739 0.234 11.631 1.00 0.00 H new ATOM 0 HB2 LYS X 28 27.169 0.498 14.267 1.00 0.00 H new ATOM 0 HB3 LYS X 28 26.796 -1.205 14.093 1.00 0.00 H new ATOM 0 HG2 LYS X 28 29.054 -1.531 14.363 1.00 0.00 H new ATOM 0 HG3 LYS X 28 29.177 -1.046 12.684 1.00 0.00 H new ATOM 0 HD2 LYS X 28 29.337 0.856 15.078 1.00 0.00 H new ATOM 0 HD3 LYS X 28 30.712 0.289 14.151 1.00 0.00 H new ATOM 0 HE2 LYS X 28 28.362 1.879 12.994 1.00 0.00 H new ATOM 0 HE3 LYS X 28 29.926 2.560 13.398 1.00 0.00 H new ATOM 0 HZ1 LYS X 28 30.695 1.885 11.435 1.00 0.00 H new ATOM 0 HZ2 LYS X 28 30.349 0.267 11.815 1.00 0.00 H new ATOM 0 HZ3 LYS X 28 29.180 1.226 11.044 1.00 0.00 H new ATOM 432 N VAL X 29 25.186 -1.823 11.965 1.00 0.00 N ATOM 433 CA VAL X 29 24.591 -3.048 11.444 1.00 0.00 C ATOM 434 C VAL X 29 24.250 -2.895 9.963 1.00 0.00 C ATOM 435 O VAL X 29 24.422 -3.826 9.177 1.00 0.00 O ATOM 436 CB VAL X 29 23.320 -3.383 12.227 1.00 0.00 C ATOM 437 CG1 VAL X 29 22.498 -4.414 11.451 1.00 0.00 C ATOM 438 CG2 VAL X 29 23.702 -3.959 13.593 1.00 0.00 C ATOM 0 H VAL X 29 24.593 -1.307 12.615 1.00 0.00 H new ATOM 0 HA VAL X 29 25.314 -3.856 11.557 1.00 0.00 H new ATOM 0 HB VAL X 29 22.729 -2.478 12.365 1.00 0.00 H new ATOM 0 HG11 VAL X 29 21.593 -4.652 12.009 1.00 0.00 H new ATOM 0 HG12 VAL X 29 22.227 -4.005 10.478 1.00 0.00 H new ATOM 0 HG13 VAL X 29 23.088 -5.320 11.313 1.00 0.00 H new ATOM 0 HG21 VAL X 29 22.798 -4.198 14.153 1.00 0.00 H new ATOM 0 HG22 VAL X 29 24.293 -4.864 13.454 1.00 0.00 H new ATOM 0 HG23 VAL X 29 24.288 -3.225 14.147 1.00 0.00 H new ATOM 448 N PHE X 30 23.754 -1.719 9.594 1.00 0.00 N ATOM 449 CA PHE X 30 23.377 -1.459 8.208 1.00 0.00 C ATOM 450 C PHE X 30 24.582 -1.552 7.284 1.00 0.00 C ATOM 451 O PHE X 30 24.512 -2.163 6.218 1.00 0.00 O ATOM 452 CB PHE X 30 22.780 -0.062 8.092 1.00 0.00 C ATOM 453 CG PHE X 30 21.317 -0.099 8.457 1.00 0.00 C ATOM 454 CD1 PHE X 30 20.880 -0.865 9.546 1.00 0.00 C ATOM 455 CD2 PHE X 30 20.392 0.634 7.704 1.00 0.00 C ATOM 456 CE1 PHE X 30 19.522 -0.896 9.881 1.00 0.00 C ATOM 457 CE2 PHE X 30 19.033 0.603 8.039 1.00 0.00 C ATOM 458 CZ PHE X 30 18.598 -0.162 9.128 1.00 0.00 C ATOM 0 H PHE X 30 23.604 -0.935 10.229 1.00 0.00 H new ATOM 0 HA PHE X 30 22.646 -2.211 7.913 1.00 0.00 H new ATOM 0 HB2 PHE X 30 23.311 0.626 8.750 1.00 0.00 H new ATOM 0 HB3 PHE X 30 22.901 0.312 7.075 1.00 0.00 H new ATOM 0 HD1 PHE X 30 21.592 -1.432 10.127 1.00 0.00 H new ATOM 0 HD2 PHE X 30 20.727 1.224 6.864 1.00 0.00 H new ATOM 0 HE1 PHE X 30 19.186 -1.486 10.721 1.00 0.00 H new ATOM 0 HE2 PHE X 30 18.320 1.169 7.458 1.00 0.00 H new ATOM 0 HZ PHE X 30 17.550 -0.186 9.387 1.00 0.00 H new ATOM 468 N LYS X 31 25.685 -0.940 7.695 1.00 0.00 N ATOM 469 CA LYS X 31 26.892 -0.963 6.886 1.00 0.00 C ATOM 470 C LYS X 31 27.327 -2.401 6.651 1.00 0.00 C ATOM 471 O LYS X 31 27.902 -2.727 5.612 1.00 0.00 O ATOM 472 CB LYS X 31 28.006 -0.185 7.584 1.00 0.00 C ATOM 473 CG LYS X 31 27.507 1.223 7.917 1.00 0.00 C ATOM 474 CD LYS X 31 28.111 2.223 6.930 1.00 0.00 C ATOM 475 CE LYS X 31 27.227 3.469 6.856 1.00 0.00 C ATOM 476 NZ LYS X 31 27.707 4.355 5.758 1.00 0.00 N ATOM 0 H LYS X 31 25.767 -0.428 8.573 1.00 0.00 H new ATOM 0 HA LYS X 31 26.685 -0.492 5.925 1.00 0.00 H new ATOM 0 HB2 LYS X 31 28.310 -0.701 8.495 1.00 0.00 H new ATOM 0 HB3 LYS X 31 28.884 -0.129 6.941 1.00 0.00 H new ATOM 0 HG2 LYS X 31 26.419 1.257 7.866 1.00 0.00 H new ATOM 0 HG3 LYS X 31 27.786 1.488 8.937 1.00 0.00 H new ATOM 0 HD2 LYS X 31 29.118 2.497 7.245 1.00 0.00 H new ATOM 0 HD3 LYS X 31 28.199 1.768 5.943 1.00 0.00 H new ATOM 0 HE2 LYS X 31 26.190 3.182 6.679 1.00 0.00 H new ATOM 0 HE3 LYS X 31 27.253 4.003 7.806 1.00 0.00 H new ATOM 0 HZ1 LYS X 31 27.106 5.202 5.708 1.00 0.00 H new ATOM 0 HZ2 LYS X 31 28.690 4.638 5.945 1.00 0.00 H new ATOM 0 HZ3 LYS X 31 27.661 3.843 4.854 1.00 0.00 H new ATOM 490 N GLN X 32 27.033 -3.262 7.618 1.00 0.00 N ATOM 491 CA GLN X 32 27.386 -4.667 7.499 1.00 0.00 C ATOM 492 C GLN X 32 26.547 -5.324 6.412 1.00 0.00 C ATOM 493 O GLN X 32 26.998 -6.246 5.733 1.00 0.00 O ATOM 494 CB GLN X 32 27.161 -5.395 8.824 1.00 0.00 C ATOM 495 CG GLN X 32 27.019 -6.896 8.557 1.00 0.00 C ATOM 496 CD GLN X 32 25.560 -7.240 8.278 1.00 0.00 C ATOM 497 OE1 GLN X 32 24.756 -6.353 7.988 1.00 0.00 O ATOM 498 NE2 GLN X 32 25.167 -8.482 8.348 1.00 0.00 N ATOM 0 H GLN X 32 26.556 -3.013 8.484 1.00 0.00 H new ATOM 0 HA GLN X 32 28.442 -4.733 7.236 1.00 0.00 H new ATOM 0 HB2 GLN X 32 27.996 -5.211 9.500 1.00 0.00 H new ATOM 0 HB3 GLN X 32 26.265 -5.014 9.314 1.00 0.00 H new ATOM 0 HG2 GLN X 32 27.638 -7.183 7.707 1.00 0.00 H new ATOM 0 HG3 GLN X 32 27.377 -7.462 9.417 1.00 0.00 H new ATOM 0 HE21 GLN X 32 25.834 -9.215 8.588 1.00 0.00 H new ATOM 0 HE22 GLN X 32 24.193 -8.720 8.162 1.00 0.00 H new ATOM 507 N TYR X 33 25.321 -4.839 6.255 1.00 0.00 N ATOM 508 CA TYR X 33 24.420 -5.380 5.251 1.00 0.00 C ATOM 509 C TYR X 33 25.037 -5.239 3.866 1.00 0.00 C ATOM 510 O TYR X 33 25.035 -6.182 3.075 1.00 0.00 O ATOM 511 CB TYR X 33 23.088 -4.633 5.297 1.00 0.00 C ATOM 512 CG TYR X 33 21.999 -5.483 4.691 1.00 0.00 C ATOM 513 CD1 TYR X 33 22.076 -5.876 3.348 1.00 0.00 C ATOM 514 CD2 TYR X 33 20.905 -5.875 5.472 1.00 0.00 C ATOM 515 CE1 TYR X 33 21.059 -6.658 2.788 1.00 0.00 C ATOM 516 CE2 TYR X 33 19.889 -6.659 4.911 1.00 0.00 C ATOM 517 CZ TYR X 33 19.966 -7.049 3.569 1.00 0.00 C ATOM 518 OH TYR X 33 18.965 -7.821 3.018 1.00 0.00 O ATOM 0 H TYR X 33 24.932 -4.076 6.808 1.00 0.00 H new ATOM 0 HA TYR X 33 24.250 -6.436 5.460 1.00 0.00 H new ATOM 0 HB2 TYR X 33 22.836 -4.385 6.328 1.00 0.00 H new ATOM 0 HB3 TYR X 33 23.171 -3.692 4.754 1.00 0.00 H new ATOM 0 HD1 TYR X 33 22.920 -5.575 2.745 1.00 0.00 H new ATOM 0 HD2 TYR X 33 20.845 -5.573 6.507 1.00 0.00 H new ATOM 0 HE1 TYR X 33 21.118 -6.960 1.753 1.00 0.00 H new ATOM 0 HE2 TYR X 33 19.046 -6.963 5.514 1.00 0.00 H new ATOM 0 HH TYR X 33 18.282 -8.004 3.697 1.00 0.00 H new ATOM 528 N ALA X 34 25.571 -4.057 3.580 1.00 0.00 N ATOM 529 CA ALA X 34 26.195 -3.813 2.288 1.00 0.00 C ATOM 530 C ALA X 34 27.466 -4.642 2.158 1.00 0.00 C ATOM 531 O ALA X 34 27.686 -5.306 1.146 1.00 0.00 O ATOM 532 CB ALA X 34 26.534 -2.330 2.138 1.00 0.00 C ATOM 0 H ALA X 34 25.584 -3.262 4.218 1.00 0.00 H new ATOM 0 HA ALA X 34 25.496 -4.101 1.503 1.00 0.00 H new ATOM 0 HB1 ALA X 34 27.000 -2.160 1.168 1.00 0.00 H new ATOM 0 HB2 ALA X 34 25.621 -1.739 2.211 1.00 0.00 H new ATOM 0 HB3 ALA X 34 27.223 -2.032 2.929 1.00 0.00 H new ATOM 538 N ASN X 35 28.293 -4.608 3.198 1.00 0.00 N ATOM 539 CA ASN X 35 29.534 -5.371 3.194 1.00 0.00 C ATOM 540 C ASN X 35 29.222 -6.860 3.104 1.00 0.00 C ATOM 541 O ASN X 35 29.858 -7.593 2.346 1.00 0.00 O ATOM 542 CB ASN X 35 30.333 -5.086 4.467 1.00 0.00 C ATOM 543 CG ASN X 35 31.750 -5.629 4.323 1.00 0.00 C ATOM 544 OD1 ASN X 35 32.674 -4.882 4.003 1.00 0.00 O ATOM 545 ND2 ASN X 35 31.979 -6.896 4.543 1.00 0.00 N ATOM 0 H ASN X 35 28.128 -4.066 4.046 1.00 0.00 H new ATOM 0 HA ASN X 35 30.129 -5.074 2.330 1.00 0.00 H new ATOM 0 HB2 ASN X 35 30.363 -4.013 4.655 1.00 0.00 H new ATOM 0 HB3 ASN X 35 29.843 -5.547 5.325 1.00 0.00 H new ATOM 0 HD21 ASN X 35 32.925 -7.267 4.450 1.00 0.00 H new ATOM 0 HD22 ASN X 35 31.212 -7.514 4.808 1.00 0.00 H new ATOM 552 N ASP X 36 28.226 -7.296 3.870 1.00 0.00 N ATOM 553 CA ASP X 36 27.825 -8.697 3.855 1.00 0.00 C ATOM 554 C ASP X 36 27.254 -9.043 2.488 1.00 0.00 C ATOM 555 O ASP X 36 27.359 -10.177 2.021 1.00 0.00 O ATOM 556 CB ASP X 36 26.771 -8.956 4.935 1.00 0.00 C ATOM 557 CG ASP X 36 26.322 -10.412 4.888 1.00 0.00 C ATOM 558 OD1 ASP X 36 26.973 -11.190 4.210 1.00 0.00 O ATOM 559 OD2 ASP X 36 25.335 -10.728 5.531 1.00 0.00 O ATOM 0 H ASP X 36 27.687 -6.705 4.503 1.00 0.00 H new ATOM 0 HA ASP X 36 28.696 -9.321 4.057 1.00 0.00 H new ATOM 0 HB2 ASP X 36 27.182 -8.725 5.918 1.00 0.00 H new ATOM 0 HB3 ASP X 36 25.915 -8.298 4.785 1.00 0.00 H new ATOM 564 N ASN X 37 26.663 -8.041 1.846 1.00 0.00 N ATOM 565 CA ASN X 37 26.080 -8.197 0.520 1.00 0.00 C ATOM 566 C ASN X 37 26.885 -7.364 -0.471 1.00 0.00 C ATOM 567 O ASN X 37 26.327 -6.550 -1.206 1.00 0.00 O ATOM 568 CB ASN X 37 24.620 -7.738 0.525 1.00 0.00 C ATOM 569 CG ASN X 37 23.765 -8.730 1.304 1.00 0.00 C ATOM 570 OD1 ASN X 37 23.025 -9.514 0.710 1.00 0.00 O ATOM 571 ND2 ASN X 37 23.822 -8.744 2.608 1.00 0.00 N ATOM 0 H ASN X 37 26.575 -7.100 2.230 1.00 0.00 H new ATOM 0 HA ASN X 37 26.108 -9.247 0.230 1.00 0.00 H new ATOM 0 HB2 ASN X 37 24.543 -6.748 0.974 1.00 0.00 H new ATOM 0 HB3 ASN X 37 24.253 -7.654 -0.498 1.00 0.00 H new ATOM 0 HD21 ASN X 37 23.253 -9.405 3.136 1.00 0.00 H new ATOM 0 HD22 ASN X 37 24.436 -8.094 3.099 1.00 0.00 H new ATOM 578 N GLY X 38 28.201 -7.583 -0.475 1.00 0.00 N ATOM 579 CA GLY X 38 29.111 -6.863 -1.366 1.00 0.00 C ATOM 580 C GLY X 38 28.388 -5.800 -2.186 1.00 0.00 C ATOM 581 O GLY X 38 28.368 -5.862 -3.415 1.00 0.00 O ATOM 0 H GLY X 38 28.663 -8.259 0.134 1.00 0.00 H new ATOM 0 HA2 GLY X 38 29.898 -6.393 -0.777 1.00 0.00 H new ATOM 0 HA3 GLY X 38 29.596 -7.571 -2.038 1.00 0.00 H new ATOM 585 N VAL X 39 27.795 -4.825 -1.503 1.00 0.00 N ATOM 586 CA VAL X 39 27.077 -3.760 -2.192 1.00 0.00 C ATOM 587 C VAL X 39 27.969 -2.540 -2.387 1.00 0.00 C ATOM 588 O VAL X 39 28.301 -1.843 -1.428 1.00 0.00 O ATOM 589 CB VAL X 39 25.842 -3.347 -1.391 1.00 0.00 C ATOM 590 CG1 VAL X 39 25.251 -2.069 -1.989 1.00 0.00 C ATOM 591 CG2 VAL X 39 24.797 -4.465 -1.447 1.00 0.00 C ATOM 0 H VAL X 39 27.797 -4.751 -0.486 1.00 0.00 H new ATOM 0 HA VAL X 39 26.774 -4.142 -3.167 1.00 0.00 H new ATOM 0 HB VAL X 39 26.126 -3.167 -0.354 1.00 0.00 H new ATOM 0 HG11 VAL X 39 24.370 -1.774 -1.419 1.00 0.00 H new ATOM 0 HG12 VAL X 39 25.993 -1.272 -1.949 1.00 0.00 H new ATOM 0 HG13 VAL X 39 24.968 -2.250 -3.026 1.00 0.00 H new ATOM 0 HG21 VAL X 39 23.917 -4.169 -0.876 1.00 0.00 H new ATOM 0 HG22 VAL X 39 24.513 -4.646 -2.484 1.00 0.00 H new ATOM 0 HG23 VAL X 39 25.216 -5.377 -1.022 1.00 0.00 H new ATOM 601 N ASP X 40 28.341 -2.280 -3.634 1.00 0.00 N ATOM 602 CA ASP X 40 29.181 -1.130 -3.935 1.00 0.00 C ATOM 603 C ASP X 40 28.390 -0.097 -4.729 1.00 0.00 C ATOM 604 O ASP X 40 28.111 -0.288 -5.913 1.00 0.00 O ATOM 605 CB ASP X 40 30.405 -1.569 -4.740 1.00 0.00 C ATOM 606 CG ASP X 40 31.485 -0.494 -4.672 1.00 0.00 C ATOM 607 OD1 ASP X 40 31.474 0.270 -3.721 1.00 0.00 O ATOM 608 OD2 ASP X 40 32.307 -0.450 -5.573 1.00 0.00 O ATOM 0 H ASP X 40 28.078 -2.842 -4.443 1.00 0.00 H new ATOM 0 HA ASP X 40 29.511 -0.684 -2.997 1.00 0.00 H new ATOM 0 HB2 ASP X 40 30.791 -2.510 -4.347 1.00 0.00 H new ATOM 0 HB3 ASP X 40 30.123 -1.748 -5.778 1.00 0.00 H new ATOM 613 N GLY X 41 28.025 0.995 -4.065 1.00 0.00 N ATOM 614 CA GLY X 41 27.259 2.051 -4.713 1.00 0.00 C ATOM 615 C GLY X 41 27.411 3.365 -3.967 1.00 0.00 C ATOM 616 O GLY X 41 28.426 3.609 -3.315 1.00 0.00 O ATOM 0 H GLY X 41 28.246 1.170 -3.085 1.00 0.00 H new ATOM 0 HA2 GLY X 41 27.596 2.171 -5.742 1.00 0.00 H new ATOM 0 HA3 GLY X 41 26.207 1.770 -4.753 1.00 0.00 H new ATOM 620 N GLU X 42 26.385 4.199 -4.048 1.00 0.00 N ATOM 621 CA GLU X 42 26.400 5.477 -3.361 1.00 0.00 C ATOM 622 C GLU X 42 25.543 5.383 -2.108 1.00 0.00 C ATOM 623 O GLU X 42 24.446 4.828 -2.135 1.00 0.00 O ATOM 624 CB GLU X 42 25.870 6.582 -4.277 1.00 0.00 C ATOM 625 CG GLU X 42 24.342 6.517 -4.326 1.00 0.00 C ATOM 626 CD GLU X 42 23.831 7.217 -5.581 1.00 0.00 C ATOM 627 OE1 GLU X 42 24.423 8.213 -5.962 1.00 0.00 O ATOM 628 OE2 GLU X 42 22.856 6.746 -6.142 1.00 0.00 O ATOM 0 H GLU X 42 25.536 4.013 -4.581 1.00 0.00 H new ATOM 0 HA GLU X 42 27.425 5.723 -3.084 1.00 0.00 H new ATOM 0 HB2 GLU X 42 26.191 7.557 -3.911 1.00 0.00 H new ATOM 0 HB3 GLU X 42 26.282 6.466 -5.280 1.00 0.00 H new ATOM 0 HG2 GLU X 42 24.013 5.478 -4.320 1.00 0.00 H new ATOM 0 HG3 GLU X 42 23.921 6.990 -3.439 1.00 0.00 H new ATOM 635 N TRP X 43 26.052 5.925 -1.015 1.00 0.00 N ATOM 636 CA TRP X 43 25.320 5.891 0.239 1.00 0.00 C ATOM 637 C TRP X 43 24.874 7.293 0.636 1.00 0.00 C ATOM 638 O TRP X 43 25.606 8.265 0.451 1.00 0.00 O ATOM 639 CB TRP X 43 26.192 5.310 1.348 1.00 0.00 C ATOM 640 CG TRP X 43 25.357 4.421 2.203 1.00 0.00 C ATOM 641 CD1 TRP X 43 24.223 4.792 2.840 1.00 0.00 C ATOM 642 CD2 TRP X 43 25.564 3.021 2.516 1.00 0.00 C ATOM 643 NE1 TRP X 43 23.724 3.701 3.529 1.00 0.00 N ATOM 644 CE2 TRP X 43 24.517 2.585 3.360 1.00 0.00 C ATOM 645 CE3 TRP X 43 26.552 2.098 2.152 1.00 0.00 C ATOM 646 CZ2 TRP X 43 24.455 1.275 3.827 1.00 0.00 C ATOM 647 CZ3 TRP X 43 26.495 0.781 2.617 1.00 0.00 C ATOM 648 CH2 TRP X 43 25.448 0.368 3.456 1.00 0.00 C ATOM 0 H TRP X 43 26.959 6.389 -0.970 1.00 0.00 H new ATOM 0 HA TRP X 43 24.442 5.260 0.100 1.00 0.00 H new ATOM 0 HB2 TRP X 43 27.023 4.749 0.920 1.00 0.00 H new ATOM 0 HB3 TRP X 43 26.624 6.112 1.947 1.00 0.00 H new ATOM 0 HD1 TRP X 43 23.780 5.777 2.815 1.00 0.00 H new ATOM 0 HE1 TRP X 43 22.874 3.720 4.093 1.00 0.00 H new ATOM 0 HE3 TRP X 43 27.363 2.405 1.508 1.00 0.00 H new ATOM 0 HZ2 TRP X 43 23.646 0.964 4.471 1.00 0.00 H new ATOM 0 HZ3 TRP X 43 27.261 0.077 2.329 1.00 0.00 H new ATOM 0 HH2 TRP X 43 25.411 -0.650 3.814 1.00 0.00 H new ATOM 659 N THR X 44 23.669 7.388 1.187 1.00 0.00 N ATOM 660 CA THR X 44 23.132 8.676 1.613 1.00 0.00 C ATOM 661 C THR X 44 22.688 8.610 3.069 1.00 0.00 C ATOM 662 O THR X 44 22.299 7.550 3.562 1.00 0.00 O ATOM 663 CB THR X 44 21.941 9.063 0.733 1.00 0.00 C ATOM 664 OG1 THR X 44 21.643 10.439 0.922 1.00 0.00 O ATOM 665 CG2 THR X 44 20.725 8.219 1.116 1.00 0.00 C ATOM 0 H THR X 44 23.049 6.595 1.349 1.00 0.00 H new ATOM 0 HA THR X 44 23.915 9.428 1.514 1.00 0.00 H new ATOM 0 HB THR X 44 22.189 8.884 -0.313 1.00 0.00 H new ATOM 0 HG1 THR X 44 20.882 10.689 0.358 1.00 0.00 H new ATOM 0 HG21 THR X 44 19.878 8.496 0.489 1.00 0.00 H new ATOM 0 HG22 THR X 44 20.955 7.163 0.971 1.00 0.00 H new ATOM 0 HG23 THR X 44 20.475 8.395 2.162 1.00 0.00 H new ATOM 673 N TYR X 45 22.744 9.747 3.753 1.00 0.00 N ATOM 674 CA TYR X 45 22.341 9.804 5.153 1.00 0.00 C ATOM 675 C TYR X 45 21.346 10.938 5.375 1.00 0.00 C ATOM 676 O TYR X 45 21.636 12.098 5.079 1.00 0.00 O ATOM 677 CB TYR X 45 23.566 10.014 6.044 1.00 0.00 C ATOM 678 CG TYR X 45 23.142 9.981 7.493 1.00 0.00 C ATOM 679 CD1 TYR X 45 22.464 11.072 8.049 1.00 0.00 C ATOM 680 CD2 TYR X 45 23.426 8.859 8.279 1.00 0.00 C ATOM 681 CE1 TYR X 45 22.069 11.040 9.392 1.00 0.00 C ATOM 682 CE2 TYR X 45 23.030 8.826 9.622 1.00 0.00 C ATOM 683 CZ TYR X 45 22.353 9.918 10.179 1.00 0.00 C ATOM 684 OH TYR X 45 21.962 9.887 11.502 1.00 0.00 O ATOM 0 H TYR X 45 23.062 10.635 3.365 1.00 0.00 H new ATOM 0 HA TYR X 45 21.864 8.859 5.413 1.00 0.00 H new ATOM 0 HB2 TYR X 45 24.307 9.238 5.852 1.00 0.00 H new ATOM 0 HB3 TYR X 45 24.038 10.969 5.813 1.00 0.00 H new ATOM 0 HD1 TYR X 45 22.246 11.938 7.442 1.00 0.00 H new ATOM 0 HD2 TYR X 45 23.951 8.018 7.850 1.00 0.00 H new ATOM 0 HE1 TYR X 45 21.545 11.881 9.821 1.00 0.00 H new ATOM 0 HE2 TYR X 45 23.247 7.959 10.228 1.00 0.00 H new ATOM 0 HH TYR X 45 22.236 9.036 11.904 1.00 0.00 H new ATOM 694 N ASP X 46 20.174 10.596 5.895 1.00 0.00 N ATOM 695 CA ASP X 46 19.142 11.595 6.152 1.00 0.00 C ATOM 696 C ASP X 46 18.784 11.622 7.633 1.00 0.00 C ATOM 697 O ASP X 46 18.316 10.627 8.186 1.00 0.00 O ATOM 698 CB ASP X 46 17.893 11.278 5.329 1.00 0.00 C ATOM 699 CG ASP X 46 17.990 11.938 3.956 1.00 0.00 C ATOM 700 OD1 ASP X 46 18.367 13.097 3.904 1.00 0.00 O ATOM 701 OD2 ASP X 46 17.687 11.274 2.979 1.00 0.00 O ATOM 0 H ASP X 46 19.914 9.642 6.146 1.00 0.00 H new ATOM 0 HA ASP X 46 19.527 12.573 5.864 1.00 0.00 H new ATOM 0 HB2 ASP X 46 17.786 10.199 5.216 1.00 0.00 H new ATOM 0 HB3 ASP X 46 17.004 11.633 5.850 1.00 0.00 H new ATOM 706 N ASP X 47 19.005 12.767 8.270 1.00 0.00 N ATOM 707 CA ASP X 47 18.698 12.912 9.688 1.00 0.00 C ATOM 708 C ASP X 47 17.197 13.071 9.895 1.00 0.00 C ATOM 709 O ASP X 47 16.653 12.670 10.925 1.00 0.00 O ATOM 710 CB ASP X 47 19.420 14.136 10.253 1.00 0.00 C ATOM 711 CG ASP X 47 18.728 14.608 11.527 1.00 0.00 C ATOM 712 OD1 ASP X 47 18.440 13.771 12.366 1.00 0.00 O ATOM 713 OD2 ASP X 47 18.494 15.800 11.644 1.00 0.00 O ATOM 0 H ASP X 47 19.393 13.602 7.831 1.00 0.00 H new ATOM 0 HA ASP X 47 19.035 12.015 10.208 1.00 0.00 H new ATOM 0 HB2 ASP X 47 20.460 13.889 10.465 1.00 0.00 H new ATOM 0 HB3 ASP X 47 19.426 14.938 9.514 1.00 0.00 H new ATOM 718 N ALA X 48 16.534 13.663 8.906 1.00 0.00 N ATOM 719 CA ALA X 48 15.095 13.878 8.982 1.00 0.00 C ATOM 720 C ALA X 48 14.345 12.572 8.752 1.00 0.00 C ATOM 721 O ALA X 48 13.273 12.353 9.314 1.00 0.00 O ATOM 722 CB ALA X 48 14.666 14.908 7.935 1.00 0.00 C ATOM 0 H ALA X 48 16.969 14.000 8.047 1.00 0.00 H new ATOM 0 HA ALA X 48 14.854 14.250 9.978 1.00 0.00 H new ATOM 0 HB1 ALA X 48 13.589 15.064 7.998 1.00 0.00 H new ATOM 0 HB2 ALA X 48 15.180 15.851 8.120 1.00 0.00 H new ATOM 0 HB3 ALA X 48 14.923 14.544 6.940 1.00 0.00 H new ATOM 728 N THR X 49 14.917 11.706 7.923 1.00 0.00 N ATOM 729 CA THR X 49 14.293 10.422 7.628 1.00 0.00 C ATOM 730 C THR X 49 15.061 9.292 8.299 1.00 0.00 C ATOM 731 O THR X 49 14.664 8.130 8.223 1.00 0.00 O ATOM 732 CB THR X 49 14.260 10.188 6.119 1.00 0.00 C ATOM 733 OG1 THR X 49 14.566 11.402 5.449 1.00 0.00 O ATOM 734 CG2 THR X 49 12.867 9.710 5.704 1.00 0.00 C ATOM 0 H THR X 49 15.804 11.868 7.447 1.00 0.00 H new ATOM 0 HA THR X 49 13.274 10.439 8.014 1.00 0.00 H new ATOM 0 HB THR X 49 14.995 9.429 5.852 1.00 0.00 H new ATOM 0 HG1 THR X 49 14.547 11.255 4.480 1.00 0.00 H new ATOM 0 HG21 THR X 49 12.845 9.544 4.627 1.00 0.00 H new ATOM 0 HG22 THR X 49 12.633 8.779 6.220 1.00 0.00 H new ATOM 0 HG23 THR X 49 12.129 10.467 5.969 1.00 0.00 H new ATOM 742 N LYS X 50 16.164 9.643 8.953 1.00 0.00 N ATOM 743 CA LYS X 50 16.982 8.649 9.635 1.00 0.00 C ATOM 744 C LYS X 50 16.981 7.335 8.864 1.00 0.00 C ATOM 745 O LYS X 50 16.950 6.258 9.458 1.00 0.00 O ATOM 746 CB LYS X 50 16.440 8.416 11.045 1.00 0.00 C ATOM 747 CG LYS X 50 14.916 8.559 11.033 1.00 0.00 C ATOM 748 CD LYS X 50 14.371 8.356 12.443 1.00 0.00 C ATOM 749 CE LYS X 50 14.060 9.716 13.073 1.00 0.00 C ATOM 750 NZ LYS X 50 12.913 10.344 12.358 1.00 0.00 N ATOM 0 H LYS X 50 16.509 10.600 9.024 1.00 0.00 H new ATOM 0 HA LYS X 50 18.005 9.020 9.693 1.00 0.00 H new ATOM 0 HB2 LYS X 50 16.720 7.423 11.395 1.00 0.00 H new ATOM 0 HB3 LYS X 50 16.878 9.134 11.738 1.00 0.00 H new ATOM 0 HG2 LYS X 50 14.636 9.545 10.663 1.00 0.00 H new ATOM 0 HG3 LYS X 50 14.478 7.828 10.354 1.00 0.00 H new ATOM 0 HD2 LYS X 50 13.470 7.744 12.411 1.00 0.00 H new ATOM 0 HD3 LYS X 50 15.099 7.820 13.052 1.00 0.00 H new ATOM 0 HE2 LYS X 50 13.821 9.593 14.129 1.00 0.00 H new ATOM 0 HE3 LYS X 50 14.935 10.363 13.018 1.00 0.00 H new ATOM 0 HZ1 LYS X 50 12.372 10.935 13.021 1.00 0.00 H new ATOM 0 HZ2 LYS X 50 13.270 10.934 11.580 1.00 0.00 H new ATOM 0 HZ3 LYS X 50 12.295 9.601 11.973 1.00 0.00 H new ATOM 764 N THR X 51 17.012 7.431 7.540 1.00 0.00 N ATOM 765 CA THR X 51 17.010 6.241 6.700 1.00 0.00 C ATOM 766 C THR X 51 18.255 6.204 5.818 1.00 0.00 C ATOM 767 O THR X 51 18.659 7.223 5.258 1.00 0.00 O ATOM 768 CB THR X 51 15.760 6.225 5.820 1.00 0.00 C ATOM 769 OG1 THR X 51 14.630 5.889 6.612 1.00 0.00 O ATOM 770 CG2 THR X 51 15.930 5.192 4.705 1.00 0.00 C ATOM 0 H THR X 51 17.039 8.313 7.029 1.00 0.00 H new ATOM 0 HA THR X 51 17.011 5.364 7.347 1.00 0.00 H new ATOM 0 HB THR X 51 15.614 7.211 5.378 1.00 0.00 H new ATOM 0 HG1 THR X 51 14.483 6.586 7.285 1.00 0.00 H new ATOM 0 HG21 THR X 51 15.038 5.182 4.079 1.00 0.00 H new ATOM 0 HG22 THR X 51 16.797 5.452 4.097 1.00 0.00 H new ATOM 0 HG23 THR X 51 16.077 4.205 5.143 1.00 0.00 H new ATOM 778 N PHE X 52 18.856 5.025 5.700 1.00 0.00 N ATOM 779 CA PHE X 52 20.053 4.866 4.883 1.00 0.00 C ATOM 780 C PHE X 52 19.807 3.859 3.763 1.00 0.00 C ATOM 781 O PHE X 52 19.261 2.780 3.990 1.00 0.00 O ATOM 782 CB PHE X 52 21.220 4.394 5.752 1.00 0.00 C ATOM 783 CG PHE X 52 21.201 5.131 7.072 1.00 0.00 C ATOM 784 CD1 PHE X 52 20.938 6.506 7.108 1.00 0.00 C ATOM 785 CD2 PHE X 52 21.452 4.436 8.262 1.00 0.00 C ATOM 786 CE1 PHE X 52 20.926 7.185 8.331 1.00 0.00 C ATOM 787 CE2 PHE X 52 21.439 5.115 9.486 1.00 0.00 C ATOM 788 CZ PHE X 52 21.176 6.490 9.520 1.00 0.00 C ATOM 0 H PHE X 52 18.536 4.171 6.157 1.00 0.00 H new ATOM 0 HA PHE X 52 20.299 5.831 4.440 1.00 0.00 H new ATOM 0 HB2 PHE X 52 21.148 3.320 5.923 1.00 0.00 H new ATOM 0 HB3 PHE X 52 22.165 4.572 5.238 1.00 0.00 H new ATOM 0 HD1 PHE X 52 20.744 7.043 6.191 1.00 0.00 H new ATOM 0 HD2 PHE X 52 21.656 3.376 8.235 1.00 0.00 H new ATOM 0 HE1 PHE X 52 20.724 8.246 8.358 1.00 0.00 H new ATOM 0 HE2 PHE X 52 21.632 4.579 10.403 1.00 0.00 H new ATOM 0 HZ PHE X 52 21.166 7.014 10.464 1.00 0.00 H new ATOM 798 N THR X 53 20.211 4.230 2.553 1.00 0.00 N ATOM 799 CA THR X 53 20.033 3.368 1.389 1.00 0.00 C ATOM 800 C THR X 53 21.264 3.443 0.491 1.00 0.00 C ATOM 801 O THR X 53 21.951 4.464 0.459 1.00 0.00 O ATOM 802 CB THR X 53 18.792 3.821 0.611 1.00 0.00 C ATOM 803 OG1 THR X 53 17.627 3.378 1.288 1.00 0.00 O ATOM 804 CG2 THR X 53 18.817 3.237 -0.803 1.00 0.00 C ATOM 0 H THR X 53 20.664 5.122 2.352 1.00 0.00 H new ATOM 0 HA THR X 53 19.901 2.337 1.718 1.00 0.00 H new ATOM 0 HB THR X 53 18.787 4.909 0.544 1.00 0.00 H new ATOM 0 HG1 THR X 53 16.837 3.798 0.888 1.00 0.00 H new ATOM 0 HG21 THR X 53 17.931 3.564 -1.348 1.00 0.00 H new ATOM 0 HG22 THR X 53 19.711 3.581 -1.323 1.00 0.00 H new ATOM 0 HG23 THR X 53 18.827 2.148 -0.747 1.00 0.00 H new ATOM 812 N VAL X 54 21.545 2.367 -0.238 1.00 0.00 N ATOM 813 CA VAL X 54 22.703 2.348 -1.125 1.00 0.00 C ATOM 814 C VAL X 54 22.310 1.873 -2.518 1.00 0.00 C ATOM 815 O VAL X 54 21.714 0.808 -2.679 1.00 0.00 O ATOM 816 CB VAL X 54 23.783 1.425 -0.555 1.00 0.00 C ATOM 817 CG1 VAL X 54 25.124 2.161 -0.528 1.00 0.00 C ATOM 818 CG2 VAL X 54 23.399 1.015 0.867 1.00 0.00 C ATOM 0 H VAL X 54 20.995 1.508 -0.233 1.00 0.00 H new ATOM 0 HA VAL X 54 23.093 3.363 -1.199 1.00 0.00 H new ATOM 0 HB VAL X 54 23.870 0.537 -1.181 1.00 0.00 H new ATOM 0 HG11 VAL X 54 25.892 1.503 -0.122 1.00 0.00 H new ATOM 0 HG12 VAL X 54 25.397 2.456 -1.541 1.00 0.00 H new ATOM 0 HG13 VAL X 54 25.039 3.049 0.098 1.00 0.00 H new ATOM 0 HG21 VAL X 54 24.166 0.357 1.276 1.00 0.00 H new ATOM 0 HG22 VAL X 54 23.313 1.904 1.491 1.00 0.00 H new ATOM 0 HG23 VAL X 54 22.444 0.490 0.849 1.00 0.00 H new ATOM 828 N THR X 55 22.655 2.666 -3.520 1.00 0.00 N ATOM 829 CA THR X 55 22.343 2.318 -4.893 1.00 0.00 C ATOM 830 C THR X 55 23.607 2.351 -5.743 1.00 0.00 C ATOM 831 O THR X 55 24.388 3.300 -5.669 1.00 0.00 O ATOM 832 CB THR X 55 21.324 3.304 -5.451 1.00 0.00 C ATOM 833 OG1 THR X 55 20.269 3.473 -4.514 1.00 0.00 O ATOM 834 CG2 THR X 55 20.758 2.768 -6.765 1.00 0.00 C ATOM 0 H THR X 55 23.149 3.551 -3.407 1.00 0.00 H new ATOM 0 HA THR X 55 21.926 1.311 -4.918 1.00 0.00 H new ATOM 0 HB THR X 55 21.809 4.263 -5.632 1.00 0.00 H new ATOM 0 HG1 THR X 55 19.613 4.108 -4.871 1.00 0.00 H new ATOM 0 HG21 THR X 55 20.029 3.475 -7.162 1.00 0.00 H new ATOM 0 HG22 THR X 55 21.567 2.638 -7.484 1.00 0.00 H new ATOM 0 HG23 THR X 55 20.273 1.808 -6.588 1.00 0.00 H new ATOM 842 N GLU X 56 23.804 1.317 -6.547 1.00 0.00 N ATOM 843 CA GLU X 56 24.981 1.251 -7.401 1.00 0.00 C ATOM 844 C GLU X 56 24.722 1.965 -8.724 1.00 0.00 C ATOM 845 O GLU X 56 25.424 1.673 -9.679 1.00 0.00 O ATOM 846 CB GLU X 56 25.349 -0.208 -7.671 1.00 0.00 C ATOM 847 CG GLU X 56 24.876 -1.076 -6.504 1.00 0.00 C ATOM 848 CD GLU X 56 25.205 -2.538 -6.781 1.00 0.00 C ATOM 849 OE1 GLU X 56 25.035 -2.960 -7.913 1.00 0.00 O ATOM 850 OE2 GLU X 56 25.621 -3.217 -5.855 1.00 0.00 O ATOM 851 OXT GLU X 56 23.826 2.791 -8.763 1.00 0.00 O ATOM 0 H GLU X 56 23.172 0.520 -6.626 1.00 0.00 H new ATOM 0 HA GLU X 56 25.807 1.745 -6.889 1.00 0.00 H new ATOM 0 HB2 GLU X 56 24.888 -0.545 -8.599 1.00 0.00 H new ATOM 0 HB3 GLU X 56 26.427 -0.305 -7.797 1.00 0.00 H new ATOM 0 HG2 GLU X 56 25.358 -0.754 -5.581 1.00 0.00 H new ATOM 0 HG3 GLU X 56 23.802 -0.956 -6.362 1.00 0.00 H new