USER MOD reduce.3.24.130724 H: found=0, std=0, add=420, rem=0, adj=20 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 1 MET N :NH3+ 157:sc= -3.79! (180deg=-2.38!) USER MOD Set 1.2: X 2 GLN : amide:sc= -7.12! C(o=-11!,f=-29!) USER MOD Single : X 1 MET CE :methyl -131:sc= -0.17 (180deg=-0.49) USER MOD Single : X 3 TYR OH : rot 61:sc= -5.47! USER MOD Single : X 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 8 ASN : amide:sc= -0.0203 X(o=-0.02,f=0) USER MOD Single : X 10 LYS NZ :NH3+ 161:sc= 0 (180deg=-0.407) USER MOD Single : X 11 THR OG1 : rot -13:sc= 0.979 USER MOD Single : X 13 LYS NZ :NH3+ 156:sc= -0.455 (180deg=-1.19) USER MOD Single : X 16 THR OG1 : rot 128:sc= 1.31 USER MOD Single : X 17 THR OG1 : rot -12:sc= 0.455! USER MOD Single : X 18 THR OG1 : rot 180:sc= -0.146 USER MOD Single : X 25 THR OG1 : rot 80:sc= -0.731 USER MOD Single : X 28 LYS NZ :NH3+ 141:sc= -1.91! (180deg=-4.3!) USER MOD Single : X 31 LYS NZ :NH3+ 137:sc= 0.115! (180deg=-0.58!) USER MOD Single : X 32 GLN : amide:sc= -0.259 K(o=-0.26,f=-3!) USER MOD Single : X 33 TYR OH : rot 180:sc= 0 USER MOD Single : X 35 ASN : amide:sc= -0.199 K(o=-0.2,f=-1.4!) USER MOD Single : X 37 ASN : amide:sc= -2.23 K(o=-2.2,f=-0.015) 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= -2.33 USER MOD Single : X 50 LYS NZ :NH3+ 170:sc= -0.785 (180deg=-1.25!) USER MOD Single : X 51 THR OG1 : rot 62:sc= 1.27 USER MOD Single : X 53 THR OG1 : rot 180:sc= 0 USER MOD Single : X 55 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET X 1 13.578 6.729 15.198 1.00 0.00 N ATOM 2 CA MET X 1 14.689 5.738 15.269 1.00 0.00 C ATOM 3 C MET X 1 14.457 4.640 14.241 1.00 0.00 C ATOM 4 O MET X 1 15.071 3.577 14.307 1.00 0.00 O ATOM 5 CB MET X 1 14.738 5.128 16.669 1.00 0.00 C ATOM 6 CG MET X 1 13.506 4.247 16.883 1.00 0.00 C ATOM 7 SD MET X 1 12.009 5.233 16.632 1.00 0.00 S ATOM 8 CE MET X 1 10.994 4.427 17.893 1.00 0.00 C ATOM 0 H1 MET X 1 13.507 7.236 16.103 1.00 0.00 H new ATOM 0 H2 MET X 1 13.767 7.409 14.434 1.00 0.00 H new ATOM 0 H3 MET X 1 12.683 6.234 15.007 1.00 0.00 H new ATOM 0 HA MET X 1 15.635 6.236 15.058 1.00 0.00 H new ATOM 0 HB2 MET X 1 15.646 4.537 16.789 1.00 0.00 H new ATOM 0 HB3 MET X 1 14.769 5.917 17.420 1.00 0.00 H new ATOM 0 HG2 MET X 1 13.522 3.407 16.189 1.00 0.00 H new ATOM 0 HG3 MET X 1 13.515 3.829 17.890 1.00 0.00 H new ATOM 0 HE1 MET X 1 10.027 4.161 17.466 1.00 0.00 H new ATOM 0 HE2 MET X 1 11.497 3.525 18.243 1.00 0.00 H new ATOM 0 HE3 MET X 1 10.846 5.108 18.731 1.00 0.00 H new ATOM 19 N GLN X 2 13.562 4.897 13.297 1.00 0.00 N ATOM 20 CA GLN X 2 13.262 3.910 12.270 1.00 0.00 C ATOM 21 C GLN X 2 14.145 4.121 11.046 1.00 0.00 C ATOM 22 O GLN X 2 14.119 5.181 10.422 1.00 0.00 O ATOM 23 CB GLN X 2 11.791 4.010 11.865 1.00 0.00 C ATOM 24 CG GLN X 2 11.293 5.438 12.098 1.00 0.00 C ATOM 25 CD GLN X 2 10.869 5.611 13.552 1.00 0.00 C ATOM 26 OE1 GLN X 2 11.522 6.329 14.310 1.00 0.00 O ATOM 27 NE2 GLN X 2 9.806 4.994 13.989 1.00 0.00 N ATOM 0 H GLN X 2 13.037 5.768 13.221 1.00 0.00 H new ATOM 0 HA GLN X 2 13.460 2.919 12.677 1.00 0.00 H new ATOM 0 HB2 GLN X 2 11.672 3.739 10.816 1.00 0.00 H new ATOM 0 HB3 GLN X 2 11.194 3.306 12.445 1.00 0.00 H new ATOM 0 HG2 GLN X 2 12.080 6.151 11.853 1.00 0.00 H new ATOM 0 HG3 GLN X 2 10.453 5.651 11.438 1.00 0.00 H new ATOM 0 HE21 GLN X 2 9.266 4.400 13.360 1.00 0.00 H new ATOM 0 HE22 GLN X 2 9.514 5.106 14.960 1.00 0.00 H new ATOM 36 N TYR X 3 14.921 3.096 10.706 1.00 0.00 N ATOM 37 CA TYR X 3 15.807 3.171 9.552 1.00 0.00 C ATOM 38 C TYR X 3 15.508 2.053 8.572 1.00 0.00 C ATOM 39 O TYR X 3 15.264 0.913 8.962 1.00 0.00 O ATOM 40 CB TYR X 3 17.270 3.076 9.985 1.00 0.00 C ATOM 41 CG TYR X 3 17.357 3.252 11.479 1.00 0.00 C ATOM 42 CD1 TYR X 3 17.041 2.184 12.326 1.00 0.00 C ATOM 43 CD2 TYR X 3 17.750 4.483 12.017 1.00 0.00 C ATOM 44 CE1 TYR X 3 17.117 2.347 13.711 1.00 0.00 C ATOM 45 CE2 TYR X 3 17.826 4.645 13.403 1.00 0.00 C ATOM 46 CZ TYR X 3 17.510 3.577 14.249 1.00 0.00 C ATOM 47 OH TYR X 3 17.584 3.738 15.617 1.00 0.00 O ATOM 0 H TYR X 3 14.954 2.210 11.210 1.00 0.00 H new ATOM 0 HA TYR X 3 15.636 4.132 9.067 1.00 0.00 H new ATOM 0 HB2 TYR X 3 17.685 2.111 9.696 1.00 0.00 H new ATOM 0 HB3 TYR X 3 17.861 3.841 9.482 1.00 0.00 H new ATOM 0 HD1 TYR X 3 16.739 1.235 11.909 1.00 0.00 H new ATOM 0 HD2 TYR X 3 17.994 5.306 11.362 1.00 0.00 H new ATOM 0 HE1 TYR X 3 16.873 1.524 14.366 1.00 0.00 H new ATOM 0 HE2 TYR X 3 18.128 5.594 13.820 1.00 0.00 H new ATOM 0 HH TYR X 3 18.242 3.112 15.985 1.00 0.00 H new ATOM 57 N LYS X 4 15.539 2.395 7.293 1.00 0.00 N ATOM 58 CA LYS X 4 15.280 1.417 6.249 1.00 0.00 C ATOM 59 C LYS X 4 16.503 1.265 5.364 1.00 0.00 C ATOM 60 O LYS X 4 17.174 2.245 5.039 1.00 0.00 O ATOM 61 CB LYS X 4 14.079 1.849 5.405 1.00 0.00 C ATOM 62 CG LYS X 4 13.328 0.609 4.915 1.00 0.00 C ATOM 63 CD LYS X 4 12.052 1.038 4.186 1.00 0.00 C ATOM 64 CE LYS X 4 11.671 -0.026 3.154 1.00 0.00 C ATOM 65 NZ LYS X 4 10.505 0.449 2.357 1.00 0.00 N ATOM 0 H LYS X 4 15.740 3.336 6.955 1.00 0.00 H new ATOM 0 HA LYS X 4 15.056 0.458 6.716 1.00 0.00 H new ATOM 0 HB2 LYS X 4 13.415 2.480 5.995 1.00 0.00 H new ATOM 0 HB3 LYS X 4 14.413 2.444 4.555 1.00 0.00 H new ATOM 0 HG2 LYS X 4 13.963 0.027 4.247 1.00 0.00 H new ATOM 0 HG3 LYS X 4 13.078 -0.035 5.758 1.00 0.00 H new ATOM 0 HD2 LYS X 4 11.240 1.174 4.901 1.00 0.00 H new ATOM 0 HD3 LYS X 4 12.207 1.998 3.694 1.00 0.00 H new ATOM 0 HE2 LYS X 4 12.516 -0.229 2.496 1.00 0.00 H new ATOM 0 HE3 LYS X 4 11.425 -0.962 3.655 1.00 0.00 H new ATOM 0 HZ1 LYS X 4 10.246 -0.274 1.656 1.00 0.00 H new ATOM 0 HZ2 LYS X 4 9.698 0.621 2.991 1.00 0.00 H new ATOM 0 HZ3 LYS X 4 10.755 1.332 1.868 1.00 0.00 H new ATOM 79 N LEU X 5 16.792 0.035 4.978 1.00 0.00 N ATOM 80 CA LEU X 5 17.941 -0.226 4.132 1.00 0.00 C ATOM 81 C LEU X 5 17.484 -0.748 2.775 1.00 0.00 C ATOM 82 O LEU X 5 16.963 -1.857 2.667 1.00 0.00 O ATOM 83 CB LEU X 5 18.863 -1.240 4.812 1.00 0.00 C ATOM 84 CG LEU X 5 20.072 -1.558 3.915 1.00 0.00 C ATOM 85 CD1 LEU X 5 19.680 -2.580 2.841 1.00 0.00 C ATOM 86 CD2 LEU X 5 20.576 -0.275 3.242 1.00 0.00 C ATOM 0 H LEU X 5 16.252 -0.792 5.234 1.00 0.00 H new ATOM 0 HA LEU X 5 18.491 0.702 3.978 1.00 0.00 H new ATOM 0 HB2 LEU X 5 19.206 -0.844 5.768 1.00 0.00 H new ATOM 0 HB3 LEU X 5 18.311 -2.155 5.026 1.00 0.00 H new ATOM 0 HG LEU X 5 20.865 -1.977 4.534 1.00 0.00 H new ATOM 0 HD11 LEU X 5 20.544 -2.797 2.213 1.00 0.00 H new ATOM 0 HD12 LEU X 5 19.340 -3.498 3.320 1.00 0.00 H new ATOM 0 HD13 LEU X 5 18.877 -2.172 2.226 1.00 0.00 H new ATOM 0 HD21 LEU X 5 21.432 -0.508 2.609 1.00 0.00 H new ATOM 0 HD22 LEU X 5 19.780 0.153 2.633 1.00 0.00 H new ATOM 0 HD23 LEU X 5 20.875 0.443 4.006 1.00 0.00 H new ATOM 98 N ILE X 6 17.684 0.065 1.740 1.00 0.00 N ATOM 99 CA ILE X 6 17.289 -0.319 0.391 1.00 0.00 C ATOM 100 C ILE X 6 18.503 -0.449 -0.510 1.00 0.00 C ATOM 101 O ILE X 6 19.343 0.449 -0.570 1.00 0.00 O ATOM 102 CB ILE X 6 16.347 0.725 -0.199 1.00 0.00 C ATOM 103 CG1 ILE X 6 14.943 0.507 0.358 1.00 0.00 C ATOM 104 CG2 ILE X 6 16.324 0.590 -1.724 1.00 0.00 C ATOM 105 CD1 ILE X 6 14.186 -0.496 -0.516 1.00 0.00 C ATOM 0 H ILE X 6 18.114 0.987 1.811 1.00 0.00 H new ATOM 0 HA ILE X 6 16.783 -1.282 0.452 1.00 0.00 H new ATOM 0 HB ILE X 6 16.693 1.724 0.067 1.00 0.00 H new ATOM 0 HG12 ILE X 6 15.002 0.138 1.382 1.00 0.00 H new ATOM 0 HG13 ILE X 6 14.404 1.454 0.390 1.00 0.00 H new ATOM 0 HG21 ILE X 6 15.651 1.336 -2.145 1.00 0.00 H new ATOM 0 HG22 ILE X 6 17.329 0.744 -2.118 1.00 0.00 H new ATOM 0 HG23 ILE X 6 15.977 -0.407 -1.996 1.00 0.00 H new ATOM 0 HD11 ILE X 6 13.185 -0.647 -0.113 1.00 0.00 H new ATOM 0 HD12 ILE X 6 14.113 -0.110 -1.533 1.00 0.00 H new ATOM 0 HD13 ILE X 6 14.720 -1.446 -0.526 1.00 0.00 H new ATOM 117 N LEU X 7 18.587 -1.563 -1.221 1.00 0.00 N ATOM 118 CA LEU X 7 19.699 -1.784 -2.126 1.00 0.00 C ATOM 119 C LEU X 7 19.214 -1.811 -3.570 1.00 0.00 C ATOM 120 O LEU X 7 18.256 -2.508 -3.903 1.00 0.00 O ATOM 121 CB LEU X 7 20.398 -3.104 -1.791 1.00 0.00 C ATOM 122 CG LEU X 7 21.779 -2.815 -1.200 1.00 0.00 C ATOM 123 CD1 LEU X 7 21.647 -1.770 -0.089 1.00 0.00 C ATOM 124 CD2 LEU X 7 22.362 -4.105 -0.622 1.00 0.00 C ATOM 0 H LEU X 7 17.904 -2.320 -1.188 1.00 0.00 H new ATOM 0 HA LEU X 7 20.407 -0.964 -2.008 1.00 0.00 H new ATOM 0 HB2 LEU X 7 19.799 -3.675 -1.081 1.00 0.00 H new ATOM 0 HB3 LEU X 7 20.496 -3.714 -2.689 1.00 0.00 H new ATOM 0 HG LEU X 7 22.439 -2.435 -1.979 1.00 0.00 H new ATOM 0 HD11 LEU X 7 22.630 -1.562 0.334 1.00 0.00 H new ATOM 0 HD12 LEU X 7 21.228 -0.852 -0.501 1.00 0.00 H new ATOM 0 HD13 LEU X 7 20.989 -2.151 0.692 1.00 0.00 H new ATOM 0 HD21 LEU X 7 23.346 -3.902 -0.200 1.00 0.00 H new ATOM 0 HD22 LEU X 7 21.703 -4.484 0.159 1.00 0.00 H new ATOM 0 HD23 LEU X 7 22.453 -4.850 -1.413 1.00 0.00 H new ATOM 136 N ASN X 8 19.887 -1.046 -4.421 1.00 0.00 N ATOM 137 CA ASN X 8 19.528 -0.986 -5.828 1.00 0.00 C ATOM 138 C ASN X 8 20.736 -1.326 -6.689 1.00 0.00 C ATOM 139 O ASN X 8 21.721 -1.879 -6.201 1.00 0.00 O ATOM 140 CB ASN X 8 19.014 0.413 -6.183 1.00 0.00 C ATOM 141 CG ASN X 8 17.535 0.344 -6.556 1.00 0.00 C ATOM 142 OD1 ASN X 8 16.675 0.724 -5.762 1.00 0.00 O ATOM 143 ND2 ASN X 8 17.189 -0.125 -7.724 1.00 0.00 N ATOM 0 H ASN X 8 20.681 -0.461 -4.160 1.00 0.00 H new ATOM 0 HA ASN X 8 18.738 -1.712 -6.019 1.00 0.00 H new ATOM 0 HB2 ASN X 8 19.154 1.087 -5.338 1.00 0.00 H new ATOM 0 HB3 ASN X 8 19.589 0.821 -7.014 1.00 0.00 H new ATOM 0 HD21 ASN X 8 16.203 -0.177 -7.981 1.00 0.00 H new ATOM 0 HD22 ASN X 8 17.904 -0.439 -8.380 1.00 0.00 H new ATOM 150 N GLY X 9 20.655 -0.997 -7.970 1.00 0.00 N ATOM 151 CA GLY X 9 21.750 -1.278 -8.892 1.00 0.00 C ATOM 152 C GLY X 9 21.221 -1.887 -10.187 1.00 0.00 C ATOM 153 O GLY X 9 20.011 -1.968 -10.396 1.00 0.00 O ATOM 0 H GLY X 9 19.849 -0.538 -8.394 1.00 0.00 H new ATOM 0 HA2 GLY X 9 22.292 -0.358 -9.112 1.00 0.00 H new ATOM 0 HA3 GLY X 9 22.459 -1.962 -8.425 1.00 0.00 H new ATOM 157 N LYS X 10 22.135 -2.310 -11.054 1.00 0.00 N ATOM 158 CA LYS X 10 21.748 -2.906 -12.326 1.00 0.00 C ATOM 159 C LYS X 10 21.100 -4.270 -12.107 1.00 0.00 C ATOM 160 O LYS X 10 19.971 -4.509 -12.537 1.00 0.00 O ATOM 161 CB LYS X 10 22.977 -3.060 -13.226 1.00 0.00 C ATOM 162 CG LYS X 10 24.210 -3.349 -12.367 1.00 0.00 C ATOM 163 CD LYS X 10 24.995 -2.054 -12.144 1.00 0.00 C ATOM 164 CE LYS X 10 26.034 -2.270 -11.042 1.00 0.00 C ATOM 165 NZ LYS X 10 26.605 -0.956 -10.630 1.00 0.00 N ATOM 0 H LYS X 10 23.142 -2.252 -10.900 1.00 0.00 H new ATOM 0 HA LYS X 10 21.025 -2.248 -12.808 1.00 0.00 H new ATOM 0 HB2 LYS X 10 22.819 -3.870 -13.938 1.00 0.00 H new ATOM 0 HB3 LYS X 10 23.131 -2.151 -13.807 1.00 0.00 H new ATOM 0 HG2 LYS X 10 23.907 -3.772 -11.409 1.00 0.00 H new ATOM 0 HG3 LYS X 10 24.842 -4.089 -12.857 1.00 0.00 H new ATOM 0 HD2 LYS X 10 25.487 -1.751 -13.068 1.00 0.00 H new ATOM 0 HD3 LYS X 10 24.316 -1.248 -11.865 1.00 0.00 H new ATOM 0 HE2 LYS X 10 25.574 -2.763 -10.186 1.00 0.00 H new ATOM 0 HE3 LYS X 10 26.827 -2.927 -11.399 1.00 0.00 H new ATOM 0 HZ1 LYS X 10 27.052 -1.049 -9.695 1.00 0.00 H new ATOM 0 HZ2 LYS X 10 27.317 -0.653 -11.325 1.00 0.00 H new ATOM 0 HZ3 LYS X 10 25.845 -0.247 -10.581 1.00 0.00 H new ATOM 179 N THR X 11 21.821 -5.161 -11.434 1.00 0.00 N ATOM 180 CA THR X 11 21.306 -6.496 -11.163 1.00 0.00 C ATOM 181 C THR X 11 21.316 -6.779 -9.664 1.00 0.00 C ATOM 182 O THR X 11 21.076 -7.908 -9.236 1.00 0.00 O ATOM 183 CB THR X 11 22.157 -7.546 -11.886 1.00 0.00 C ATOM 184 OG1 THR X 11 21.828 -8.837 -11.396 1.00 0.00 O ATOM 185 CG2 THR X 11 23.642 -7.268 -11.640 1.00 0.00 C ATOM 0 H THR X 11 22.757 -4.984 -11.069 1.00 0.00 H new ATOM 0 HA THR X 11 20.280 -6.548 -11.527 1.00 0.00 H new ATOM 0 HB THR X 11 21.956 -7.499 -12.956 1.00 0.00 H new ATOM 0 HG1 THR X 11 21.293 -8.750 -10.580 1.00 0.00 H new ATOM 0 HG21 THR X 11 24.243 -8.017 -12.156 1.00 0.00 H new ATOM 0 HG22 THR X 11 23.894 -6.277 -12.018 1.00 0.00 H new ATOM 0 HG23 THR X 11 23.848 -7.311 -10.571 1.00 0.00 H new ATOM 193 N LEU X 12 21.600 -5.750 -8.872 1.00 0.00 N ATOM 194 CA LEU X 12 21.643 -5.909 -7.424 1.00 0.00 C ATOM 195 C LEU X 12 20.554 -5.085 -6.750 1.00 0.00 C ATOM 196 O LEU X 12 20.661 -3.863 -6.642 1.00 0.00 O ATOM 197 CB LEU X 12 23.007 -5.477 -6.882 1.00 0.00 C ATOM 198 CG LEU X 12 23.285 -6.191 -5.554 1.00 0.00 C ATOM 199 CD1 LEU X 12 22.172 -5.890 -4.547 1.00 0.00 C ATOM 200 CD2 LEU X 12 23.353 -7.700 -5.796 1.00 0.00 C ATOM 0 H LEU X 12 21.802 -4.807 -9.204 1.00 0.00 H new ATOM 0 HA LEU X 12 21.477 -6.963 -7.202 1.00 0.00 H new ATOM 0 HB2 LEU X 12 23.788 -5.715 -7.604 1.00 0.00 H new ATOM 0 HB3 LEU X 12 23.026 -4.397 -6.736 1.00 0.00 H new ATOM 0 HG LEU X 12 24.233 -5.835 -5.152 1.00 0.00 H new ATOM 0 HD11 LEU X 12 22.382 -6.403 -3.609 1.00 0.00 H new ATOM 0 HD12 LEU X 12 22.122 -4.816 -4.370 1.00 0.00 H new ATOM 0 HD13 LEU X 12 21.218 -6.237 -4.945 1.00 0.00 H new ATOM 0 HD21 LEU X 12 23.551 -8.211 -4.854 1.00 0.00 H new ATOM 0 HD22 LEU X 12 22.404 -8.046 -6.204 1.00 0.00 H new ATOM 0 HD23 LEU X 12 24.153 -7.919 -6.503 1.00 0.00 H new ATOM 212 N LYS X 13 19.522 -5.769 -6.276 1.00 0.00 N ATOM 213 CA LYS X 13 18.431 -5.103 -5.582 1.00 0.00 C ATOM 214 C LYS X 13 18.142 -5.823 -4.276 1.00 0.00 C ATOM 215 O LYS X 13 18.156 -7.053 -4.218 1.00 0.00 O ATOM 216 CB LYS X 13 17.164 -5.086 -6.437 1.00 0.00 C ATOM 217 CG LYS X 13 15.969 -4.735 -5.544 1.00 0.00 C ATOM 218 CD LYS X 13 14.795 -4.279 -6.414 1.00 0.00 C ATOM 219 CE LYS X 13 14.399 -5.403 -7.374 1.00 0.00 C ATOM 220 NZ LYS X 13 14.372 -6.699 -6.639 1.00 0.00 N ATOM 0 H LYS X 13 19.418 -6.780 -6.359 1.00 0.00 H new ATOM 0 HA LYS X 13 18.732 -4.074 -5.384 1.00 0.00 H new ATOM 0 HB2 LYS X 13 17.261 -4.356 -7.241 1.00 0.00 H new ATOM 0 HB3 LYS X 13 17.012 -6.058 -6.906 1.00 0.00 H new ATOM 0 HG2 LYS X 13 15.679 -5.602 -4.950 1.00 0.00 H new ATOM 0 HG3 LYS X 13 16.244 -3.946 -4.844 1.00 0.00 H new ATOM 0 HD2 LYS X 13 13.947 -4.009 -5.785 1.00 0.00 H new ATOM 0 HD3 LYS X 13 15.071 -3.387 -6.977 1.00 0.00 H new ATOM 0 HE2 LYS X 13 13.420 -5.198 -7.807 1.00 0.00 H new ATOM 0 HE3 LYS X 13 15.108 -5.456 -8.200 1.00 0.00 H new ATOM 0 HZ1 LYS X 13 13.742 -7.364 -7.131 1.00 0.00 H new ATOM 0 HZ2 LYS X 13 15.332 -7.096 -6.601 1.00 0.00 H new ATOM 0 HZ3 LYS X 13 14.023 -6.542 -5.672 1.00 0.00 H new ATOM 234 N GLY X 14 17.884 -5.056 -3.231 1.00 0.00 N ATOM 235 CA GLY X 14 17.597 -5.640 -1.932 1.00 0.00 C ATOM 236 C GLY X 14 16.861 -4.649 -1.043 1.00 0.00 C ATOM 237 O GLY X 14 17.083 -3.441 -1.124 1.00 0.00 O ATOM 0 H GLY X 14 17.867 -4.036 -3.255 1.00 0.00 H new ATOM 0 HA2 GLY X 14 16.994 -6.539 -2.058 1.00 0.00 H new ATOM 0 HA3 GLY X 14 18.527 -5.945 -1.452 1.00 0.00 H new ATOM 241 N GLU X 15 15.988 -5.168 -0.186 1.00 0.00 N ATOM 242 CA GLU X 15 15.232 -4.321 0.726 1.00 0.00 C ATOM 243 C GLU X 15 15.165 -4.968 2.106 1.00 0.00 C ATOM 244 O GLU X 15 14.943 -6.174 2.226 1.00 0.00 O ATOM 245 CB GLU X 15 13.816 -4.108 0.186 1.00 0.00 C ATOM 246 CG GLU X 15 13.031 -5.417 0.280 1.00 0.00 C ATOM 247 CD GLU X 15 11.656 -5.249 -0.357 1.00 0.00 C ATOM 248 OE1 GLU X 15 11.360 -4.153 -0.802 1.00 0.00 O ATOM 249 OE2 GLU X 15 10.919 -6.221 -0.390 1.00 0.00 O ATOM 0 H GLU X 15 15.788 -6.165 -0.105 1.00 0.00 H new ATOM 0 HA GLU X 15 15.733 -3.356 0.809 1.00 0.00 H new ATOM 0 HB2 GLU X 15 13.312 -3.328 0.756 1.00 0.00 H new ATOM 0 HB3 GLU X 15 13.857 -3.770 -0.849 1.00 0.00 H new ATOM 0 HG2 GLU X 15 13.578 -6.215 -0.222 1.00 0.00 H new ATOM 0 HG3 GLU X 15 12.923 -5.712 1.324 1.00 0.00 H new ATOM 256 N THR X 16 15.378 -4.168 3.145 1.00 0.00 N ATOM 257 CA THR X 16 15.360 -4.685 4.509 1.00 0.00 C ATOM 258 C THR X 16 14.673 -3.710 5.461 1.00 0.00 C ATOM 259 O THR X 16 14.503 -2.531 5.151 1.00 0.00 O ATOM 260 CB THR X 16 16.796 -4.926 4.981 1.00 0.00 C ATOM 261 OG1 THR X 16 17.260 -6.165 4.464 1.00 0.00 O ATOM 262 CG2 THR X 16 16.836 -4.961 6.509 1.00 0.00 C ATOM 0 H THR X 16 15.564 -3.168 3.071 1.00 0.00 H new ATOM 0 HA THR X 16 14.800 -5.620 4.512 1.00 0.00 H new ATOM 0 HB THR X 16 17.436 -4.119 4.623 1.00 0.00 H new ATOM 0 HG1 THR X 16 18.120 -6.030 4.014 1.00 0.00 H new ATOM 0 HG21 THR X 16 17.859 -5.133 6.842 1.00 0.00 H new ATOM 0 HG22 THR X 16 16.481 -4.009 6.904 1.00 0.00 H new ATOM 0 HG23 THR X 16 16.197 -5.766 6.871 1.00 0.00 H new ATOM 270 N THR X 17 14.294 -4.215 6.632 1.00 0.00 N ATOM 271 CA THR X 17 13.640 -3.391 7.640 1.00 0.00 C ATOM 272 C THR X 17 14.179 -3.739 9.025 1.00 0.00 C ATOM 273 O THR X 17 14.253 -4.911 9.393 1.00 0.00 O ATOM 274 CB THR X 17 12.129 -3.625 7.605 1.00 0.00 C ATOM 275 OG1 THR X 17 11.810 -4.762 8.394 1.00 0.00 O ATOM 276 CG2 THR X 17 11.684 -3.862 6.160 1.00 0.00 C ATOM 0 H THR X 17 14.429 -5.189 6.904 1.00 0.00 H new ATOM 0 HA THR X 17 13.846 -2.342 7.427 1.00 0.00 H new ATOM 0 HB THR X 17 11.614 -2.751 8.003 1.00 0.00 H new ATOM 0 HG1 THR X 17 12.632 -5.248 8.615 1.00 0.00 H new ATOM 0 HG21 THR X 17 10.607 -4.029 6.134 1.00 0.00 H new ATOM 0 HG22 THR X 17 11.931 -2.989 5.555 1.00 0.00 H new ATOM 0 HG23 THR X 17 12.197 -4.737 5.760 1.00 0.00 H new ATOM 284 N THR X 18 14.564 -2.718 9.786 1.00 0.00 N ATOM 285 CA THR X 18 15.103 -2.943 11.122 1.00 0.00 C ATOM 286 C THR X 18 14.717 -1.813 12.065 1.00 0.00 C ATOM 287 O THR X 18 14.522 -0.673 11.643 1.00 0.00 O ATOM 288 CB THR X 18 16.627 -3.040 11.063 1.00 0.00 C ATOM 289 OG1 THR X 18 17.012 -3.704 9.867 1.00 0.00 O ATOM 290 CG2 THR X 18 17.137 -3.824 12.272 1.00 0.00 C ATOM 0 H THR X 18 14.514 -1.739 9.504 1.00 0.00 H new ATOM 0 HA THR X 18 14.684 -3.877 11.497 1.00 0.00 H new ATOM 0 HB THR X 18 17.056 -2.038 11.076 1.00 0.00 H new ATOM 0 HG1 THR X 18 17.989 -3.766 9.827 1.00 0.00 H new ATOM 0 HG21 THR X 18 18.224 -3.893 12.229 1.00 0.00 H new ATOM 0 HG22 THR X 18 16.842 -3.313 13.188 1.00 0.00 H new ATOM 0 HG23 THR X 18 16.710 -4.827 12.262 1.00 0.00 H new ATOM 298 N GLU X 19 14.621 -2.139 13.348 1.00 0.00 N ATOM 299 CA GLU X 19 14.271 -1.149 14.355 1.00 0.00 C ATOM 300 C GLU X 19 15.328 -1.125 15.452 1.00 0.00 C ATOM 301 O GLU X 19 15.753 -2.172 15.938 1.00 0.00 O ATOM 302 CB GLU X 19 12.906 -1.480 14.958 1.00 0.00 C ATOM 303 CG GLU X 19 12.112 -0.190 15.162 1.00 0.00 C ATOM 304 CD GLU X 19 12.683 0.592 16.339 1.00 0.00 C ATOM 305 OE1 GLU X 19 13.723 0.198 16.839 1.00 0.00 O ATOM 306 OE2 GLU X 19 12.070 1.574 16.726 1.00 0.00 O ATOM 0 H GLU X 19 14.780 -3.078 13.713 1.00 0.00 H new ATOM 0 HA GLU X 19 14.225 -0.167 13.884 1.00 0.00 H new ATOM 0 HB2 GLU X 19 12.360 -2.155 14.299 1.00 0.00 H new ATOM 0 HB3 GLU X 19 13.033 -1.996 15.910 1.00 0.00 H new ATOM 0 HG2 GLU X 19 12.151 0.418 14.258 1.00 0.00 H new ATOM 0 HG3 GLU X 19 11.063 -0.424 15.344 1.00 0.00 H new ATOM 313 N ALA X 20 15.754 0.073 15.832 1.00 0.00 N ATOM 314 CA ALA X 20 16.771 0.207 16.865 1.00 0.00 C ATOM 315 C ALA X 20 16.510 1.421 17.739 1.00 0.00 C ATOM 316 O ALA X 20 15.583 2.194 17.496 1.00 0.00 O ATOM 317 CB ALA X 20 18.151 0.346 16.226 1.00 0.00 C ATOM 0 H ALA X 20 15.416 0.955 15.446 1.00 0.00 H new ATOM 0 HA ALA X 20 16.734 -0.689 17.485 1.00 0.00 H new ATOM 0 HB1 ALA X 20 18.905 0.446 17.007 1.00 0.00 H new ATOM 0 HB2 ALA X 20 18.365 -0.538 15.626 1.00 0.00 H new ATOM 0 HB3 ALA X 20 18.169 1.230 15.589 1.00 0.00 H new ATOM 323 N VAL X 21 17.350 1.582 18.752 1.00 0.00 N ATOM 324 CA VAL X 21 17.231 2.706 19.663 1.00 0.00 C ATOM 325 C VAL X 21 17.665 3.984 18.973 1.00 0.00 C ATOM 326 O VAL X 21 17.094 5.051 19.193 1.00 0.00 O ATOM 327 CB VAL X 21 18.119 2.481 20.881 1.00 0.00 C ATOM 328 CG1 VAL X 21 19.568 2.295 20.431 1.00 0.00 C ATOM 329 CG2 VAL X 21 18.024 3.693 21.809 1.00 0.00 C ATOM 0 H VAL X 21 18.120 0.947 18.962 1.00 0.00 H new ATOM 0 HA VAL X 21 16.190 2.792 19.973 1.00 0.00 H new ATOM 0 HB VAL X 21 17.788 1.588 21.412 1.00 0.00 H new ATOM 0 HG11 VAL X 21 20.202 2.134 21.303 1.00 0.00 H new ATOM 0 HG12 VAL X 21 19.635 1.432 19.769 1.00 0.00 H new ATOM 0 HG13 VAL X 21 19.901 3.186 19.900 1.00 0.00 H new ATOM 0 HG21 VAL X 21 18.658 3.534 22.681 1.00 0.00 H new ATOM 0 HG22 VAL X 21 18.355 4.585 21.277 1.00 0.00 H new ATOM 0 HG23 VAL X 21 16.991 3.825 22.131 1.00 0.00 H new ATOM 339 N ASP X 22 18.685 3.864 18.140 1.00 0.00 N ATOM 340 CA ASP X 22 19.201 5.013 17.420 1.00 0.00 C ATOM 341 C ASP X 22 19.845 4.573 16.120 1.00 0.00 C ATOM 342 O ASP X 22 20.030 3.381 15.874 1.00 0.00 O ATOM 343 CB ASP X 22 20.231 5.747 18.276 1.00 0.00 C ATOM 344 CG ASP X 22 21.492 4.901 18.412 1.00 0.00 C ATOM 345 OD1 ASP X 22 22.043 4.529 17.389 1.00 0.00 O ATOM 346 OD2 ASP X 22 21.888 4.638 19.536 1.00 0.00 O ATOM 0 H ASP X 22 19.169 2.987 17.947 1.00 0.00 H new ATOM 0 HA ASP X 22 18.371 5.684 17.198 1.00 0.00 H new ATOM 0 HB2 ASP X 22 20.475 6.708 17.823 1.00 0.00 H new ATOM 0 HB3 ASP X 22 19.815 5.956 19.262 1.00 0.00 H new ATOM 351 N ALA X 23 20.184 5.552 15.287 1.00 0.00 N ATOM 352 CA ALA X 23 20.810 5.271 14.001 1.00 0.00 C ATOM 353 C ALA X 23 22.254 4.830 14.190 1.00 0.00 C ATOM 354 O ALA X 23 22.782 4.051 13.397 1.00 0.00 O ATOM 355 CB ALA X 23 20.763 6.517 13.117 1.00 0.00 C ATOM 0 H ALA X 23 20.036 6.543 15.479 1.00 0.00 H new ATOM 0 HA ALA X 23 20.260 4.463 13.519 1.00 0.00 H new ATOM 0 HB1 ALA X 23 21.232 6.300 12.157 1.00 0.00 H new ATOM 0 HB2 ALA X 23 19.726 6.810 12.956 1.00 0.00 H new ATOM 0 HB3 ALA X 23 21.297 7.331 13.607 1.00 0.00 H new ATOM 361 N ALA X 24 22.890 5.325 15.247 1.00 0.00 N ATOM 362 CA ALA X 24 24.273 4.958 15.516 1.00 0.00 C ATOM 363 C ALA X 24 24.381 3.444 15.601 1.00 0.00 C ATOM 364 O ALA X 24 25.362 2.851 15.150 1.00 0.00 O ATOM 365 CB ALA X 24 24.741 5.587 16.830 1.00 0.00 C ATOM 0 H ALA X 24 22.477 5.971 15.920 1.00 0.00 H new ATOM 0 HA ALA X 24 24.907 5.326 14.709 1.00 0.00 H new ATOM 0 HB1 ALA X 24 25.777 5.305 17.020 1.00 0.00 H new ATOM 0 HB2 ALA X 24 24.667 6.672 16.760 1.00 0.00 H new ATOM 0 HB3 ALA X 24 24.113 5.232 17.647 1.00 0.00 H new ATOM 371 N THR X 25 23.352 2.822 16.165 1.00 0.00 N ATOM 372 CA THR X 25 23.322 1.372 16.287 1.00 0.00 C ATOM 373 C THR X 25 22.973 0.739 14.942 1.00 0.00 C ATOM 374 O THR X 25 23.595 -0.235 14.519 1.00 0.00 O ATOM 375 CB THR X 25 22.292 0.953 17.339 1.00 0.00 C ATOM 376 OG1 THR X 25 21.741 2.114 17.945 1.00 0.00 O ATOM 377 CG2 THR X 25 22.966 0.089 18.407 1.00 0.00 C ATOM 0 H THR X 25 22.532 3.297 16.543 1.00 0.00 H new ATOM 0 HA THR X 25 24.308 1.027 16.598 1.00 0.00 H new ATOM 0 HB THR X 25 21.499 0.378 16.861 1.00 0.00 H new ATOM 0 HG1 THR X 25 21.056 2.496 17.357 1.00 0.00 H new ATOM 0 HG21 THR X 25 22.229 -0.207 19.154 1.00 0.00 H new ATOM 0 HG22 THR X 25 23.389 -0.801 17.941 1.00 0.00 H new ATOM 0 HG23 THR X 25 23.761 0.659 18.888 1.00 0.00 H new ATOM 385 N ALA X 26 21.971 1.307 14.277 1.00 0.00 N ATOM 386 CA ALA X 26 21.538 0.801 12.979 1.00 0.00 C ATOM 387 C ALA X 26 22.675 0.889 11.966 1.00 0.00 C ATOM 388 O ALA X 26 22.821 0.023 11.104 1.00 0.00 O ATOM 389 CB ALA X 26 20.337 1.607 12.479 1.00 0.00 C ATOM 0 H ALA X 26 21.446 2.114 14.614 1.00 0.00 H new ATOM 0 HA ALA X 26 21.249 -0.244 13.092 1.00 0.00 H new ATOM 0 HB1 ALA X 26 20.020 1.223 11.509 1.00 0.00 H new ATOM 0 HB2 ALA X 26 19.517 1.517 13.191 1.00 0.00 H new ATOM 0 HB3 ALA X 26 20.618 2.655 12.380 1.00 0.00 H new ATOM 395 N GLU X 27 23.474 1.946 12.073 1.00 0.00 N ATOM 396 CA GLU X 27 24.591 2.147 11.159 1.00 0.00 C ATOM 397 C GLU X 27 25.487 0.919 11.137 1.00 0.00 C ATOM 398 O GLU X 27 25.961 0.502 10.083 1.00 0.00 O ATOM 399 CB GLU X 27 25.391 3.387 11.598 1.00 0.00 C ATOM 400 CG GLU X 27 26.849 3.028 11.906 1.00 0.00 C ATOM 401 CD GLU X 27 27.556 2.558 10.638 1.00 0.00 C ATOM 402 OE1 GLU X 27 26.900 2.483 9.612 1.00 0.00 O ATOM 403 OE2 GLU X 27 28.741 2.281 10.714 1.00 0.00 O ATOM 0 H GLU X 27 23.369 2.673 12.781 1.00 0.00 H new ATOM 0 HA GLU X 27 24.207 2.304 10.151 1.00 0.00 H new ATOM 0 HB2 GLU X 27 25.358 4.141 10.812 1.00 0.00 H new ATOM 0 HB3 GLU X 27 24.928 3.827 12.481 1.00 0.00 H new ATOM 0 HG2 GLU X 27 27.365 3.895 12.319 1.00 0.00 H new ATOM 0 HG3 GLU X 27 26.886 2.245 12.663 1.00 0.00 H new ATOM 410 N LYS X 28 25.719 0.353 12.305 1.00 0.00 N ATOM 411 CA LYS X 28 26.564 -0.822 12.417 1.00 0.00 C ATOM 412 C LYS X 28 25.850 -2.072 11.903 1.00 0.00 C ATOM 413 O LYS X 28 26.461 -2.924 11.258 1.00 0.00 O ATOM 414 CB LYS X 28 26.971 -1.031 13.878 1.00 0.00 C ATOM 415 CG LYS X 28 27.158 0.320 14.582 1.00 0.00 C ATOM 416 CD LYS X 28 28.424 1.008 14.064 1.00 0.00 C ATOM 417 CE LYS X 28 29.648 0.447 14.787 1.00 0.00 C ATOM 418 NZ LYS X 28 30.021 -0.866 14.191 1.00 0.00 N ATOM 0 H LYS X 28 25.335 0.686 13.189 1.00 0.00 H new ATOM 0 HA LYS X 28 27.451 -0.658 11.805 1.00 0.00 H new ATOM 0 HB2 LYS X 28 26.209 -1.614 14.394 1.00 0.00 H new ATOM 0 HB3 LYS X 28 27.897 -1.604 13.925 1.00 0.00 H new ATOM 0 HG2 LYS X 28 26.290 0.955 14.405 1.00 0.00 H new ATOM 0 HG3 LYS X 28 27.230 0.171 15.659 1.00 0.00 H new ATOM 0 HD2 LYS X 28 28.521 0.851 12.990 1.00 0.00 H new ATOM 0 HD3 LYS X 28 28.356 2.084 14.225 1.00 0.00 H new ATOM 0 HE2 LYS X 28 30.482 1.144 14.707 1.00 0.00 H new ATOM 0 HE3 LYS X 28 29.433 0.328 15.849 1.00 0.00 H new ATOM 0 HZ1 LYS X 28 31.057 -0.943 14.141 1.00 0.00 H new ATOM 0 HZ2 LYS X 28 29.645 -1.635 14.782 1.00 0.00 H new ATOM 0 HZ3 LYS X 28 29.622 -0.939 13.233 1.00 0.00 H new ATOM 432 N VAL X 29 24.566 -2.193 12.227 1.00 0.00 N ATOM 433 CA VAL X 29 23.788 -3.365 11.829 1.00 0.00 C ATOM 434 C VAL X 29 23.469 -3.406 10.331 1.00 0.00 C ATOM 435 O VAL X 29 23.749 -4.406 9.669 1.00 0.00 O ATOM 436 CB VAL X 29 22.481 -3.404 12.621 1.00 0.00 C ATOM 437 CG1 VAL X 29 21.587 -4.518 12.077 1.00 0.00 C ATOM 438 CG2 VAL X 29 22.789 -3.671 14.096 1.00 0.00 C ATOM 0 H VAL X 29 24.043 -1.499 12.761 1.00 0.00 H new ATOM 0 HA VAL X 29 24.405 -4.236 12.047 1.00 0.00 H new ATOM 0 HB VAL X 29 21.967 -2.448 12.523 1.00 0.00 H new ATOM 0 HG11 VAL X 29 20.655 -4.545 12.642 1.00 0.00 H new ATOM 0 HG12 VAL X 29 21.369 -4.329 11.026 1.00 0.00 H new ATOM 0 HG13 VAL X 29 22.099 -5.475 12.174 1.00 0.00 H new ATOM 0 HG21 VAL X 29 21.858 -3.699 14.663 1.00 0.00 H new ATOM 0 HG22 VAL X 29 23.302 -4.628 14.193 1.00 0.00 H new ATOM 0 HG23 VAL X 29 23.426 -2.876 14.484 1.00 0.00 H new ATOM 448 N PHE X 30 22.849 -2.354 9.800 1.00 0.00 N ATOM 449 CA PHE X 30 22.477 -2.360 8.383 1.00 0.00 C ATOM 450 C PHE X 30 23.675 -2.160 7.461 1.00 0.00 C ATOM 451 O PHE X 30 23.693 -2.691 6.351 1.00 0.00 O ATOM 452 CB PHE X 30 21.392 -1.318 8.092 1.00 0.00 C ATOM 453 CG PHE X 30 21.954 0.086 8.077 1.00 0.00 C ATOM 454 CD1 PHE X 30 22.794 0.507 7.037 1.00 0.00 C ATOM 455 CD2 PHE X 30 21.601 0.980 9.095 1.00 0.00 C ATOM 456 CE1 PHE X 30 23.287 1.818 7.023 1.00 0.00 C ATOM 457 CE2 PHE X 30 22.089 2.290 9.078 1.00 0.00 C ATOM 458 CZ PHE X 30 22.933 2.709 8.043 1.00 0.00 C ATOM 0 H PHE X 30 22.598 -1.508 10.311 1.00 0.00 H new ATOM 0 HA PHE X 30 22.074 -3.351 8.173 1.00 0.00 H new ATOM 0 HB2 PHE X 30 20.928 -1.535 7.130 1.00 0.00 H new ATOM 0 HB3 PHE X 30 20.608 -1.388 8.846 1.00 0.00 H new ATOM 0 HD1 PHE X 30 23.061 -0.179 6.247 1.00 0.00 H new ATOM 0 HD2 PHE X 30 20.951 0.657 9.895 1.00 0.00 H new ATOM 0 HE1 PHE X 30 23.940 2.141 6.226 1.00 0.00 H new ATOM 0 HE2 PHE X 30 21.815 2.979 9.863 1.00 0.00 H new ATOM 0 HZ PHE X 30 23.311 3.720 8.031 1.00 0.00 H new ATOM 468 N LYS X 31 24.673 -1.410 7.904 1.00 0.00 N ATOM 469 CA LYS X 31 25.845 -1.190 7.063 1.00 0.00 C ATOM 470 C LYS X 31 26.435 -2.537 6.668 1.00 0.00 C ATOM 471 O LYS X 31 27.022 -2.687 5.596 1.00 0.00 O ATOM 472 CB LYS X 31 26.893 -0.364 7.810 1.00 0.00 C ATOM 473 CG LYS X 31 28.188 -0.306 6.992 1.00 0.00 C ATOM 474 CD LYS X 31 27.937 0.399 5.655 1.00 0.00 C ATOM 475 CE LYS X 31 27.211 1.724 5.896 1.00 0.00 C ATOM 476 NZ LYS X 31 27.463 2.644 4.751 1.00 0.00 N ATOM 0 H LYS X 31 24.699 -0.953 8.816 1.00 0.00 H new ATOM 0 HA LYS X 31 25.546 -0.641 6.170 1.00 0.00 H new ATOM 0 HB2 LYS X 31 26.517 0.644 7.985 1.00 0.00 H new ATOM 0 HB3 LYS X 31 27.089 -0.806 8.787 1.00 0.00 H new ATOM 0 HG2 LYS X 31 28.958 0.225 7.553 1.00 0.00 H new ATOM 0 HG3 LYS X 31 28.561 -1.315 6.815 1.00 0.00 H new ATOM 0 HD2 LYS X 31 28.883 0.580 5.145 1.00 0.00 H new ATOM 0 HD3 LYS X 31 27.341 -0.239 5.003 1.00 0.00 H new ATOM 0 HE2 LYS X 31 26.141 1.550 6.007 1.00 0.00 H new ATOM 0 HE3 LYS X 31 27.558 2.178 6.824 1.00 0.00 H new ATOM 0 HZ1 LYS X 31 26.577 3.121 4.487 1.00 0.00 H new ATOM 0 HZ2 LYS X 31 28.170 3.355 5.026 1.00 0.00 H new ATOM 0 HZ3 LYS X 31 27.818 2.099 3.939 1.00 0.00 H new ATOM 490 N GLN X 32 26.259 -3.514 7.548 1.00 0.00 N ATOM 491 CA GLN X 32 26.757 -4.862 7.307 1.00 0.00 C ATOM 492 C GLN X 32 26.100 -5.468 6.069 1.00 0.00 C ATOM 493 O GLN X 32 26.692 -6.305 5.388 1.00 0.00 O ATOM 494 CB GLN X 32 26.475 -5.748 8.522 1.00 0.00 C ATOM 495 CG GLN X 32 26.582 -7.219 8.114 1.00 0.00 C ATOM 496 CD GLN X 32 26.974 -8.067 9.320 1.00 0.00 C ATOM 497 OE1 GLN X 32 27.281 -7.530 10.385 1.00 0.00 O ATOM 498 NE2 GLN X 32 26.983 -9.367 9.215 1.00 0.00 N ATOM 0 H GLN X 32 25.774 -3.398 8.438 1.00 0.00 H new ATOM 0 HA GLN X 32 27.833 -4.805 7.140 1.00 0.00 H new ATOM 0 HB2 GLN X 32 27.185 -5.528 9.319 1.00 0.00 H new ATOM 0 HB3 GLN X 32 25.480 -5.540 8.915 1.00 0.00 H new ATOM 0 HG2 GLN X 32 25.630 -7.563 7.711 1.00 0.00 H new ATOM 0 HG3 GLN X 32 27.323 -7.333 7.323 1.00 0.00 H new ATOM 0 HE21 GLN X 32 26.728 -9.809 8.332 1.00 0.00 H new ATOM 0 HE22 GLN X 32 27.245 -9.942 10.016 1.00 0.00 H new ATOM 507 N TYR X 33 24.870 -5.048 5.795 1.00 0.00 N ATOM 508 CA TYR X 33 24.129 -5.566 4.648 1.00 0.00 C ATOM 509 C TYR X 33 24.898 -5.330 3.351 1.00 0.00 C ATOM 510 O TYR X 33 25.030 -6.234 2.526 1.00 0.00 O ATOM 511 CB TYR X 33 22.769 -4.871 4.569 1.00 0.00 C ATOM 512 CG TYR X 33 21.830 -5.678 3.705 1.00 0.00 C ATOM 513 CD1 TYR X 33 22.057 -5.779 2.327 1.00 0.00 C ATOM 514 CD2 TYR X 33 20.727 -6.316 4.283 1.00 0.00 C ATOM 515 CE1 TYR X 33 21.179 -6.520 1.528 1.00 0.00 C ATOM 516 CE2 TYR X 33 19.850 -7.057 3.484 1.00 0.00 C ATOM 517 CZ TYR X 33 20.075 -7.159 2.105 1.00 0.00 C ATOM 518 OH TYR X 33 19.210 -7.889 1.317 1.00 0.00 O ATOM 0 H TYR X 33 24.366 -4.354 6.347 1.00 0.00 H new ATOM 0 HA TYR X 33 23.993 -6.640 4.777 1.00 0.00 H new ATOM 0 HB2 TYR X 33 22.350 -4.757 5.569 1.00 0.00 H new ATOM 0 HB3 TYR X 33 22.886 -3.869 4.157 1.00 0.00 H new ATOM 0 HD1 TYR X 33 22.908 -5.286 1.881 1.00 0.00 H new ATOM 0 HD2 TYR X 33 20.553 -6.236 5.346 1.00 0.00 H new ATOM 0 HE1 TYR X 33 21.353 -6.599 0.465 1.00 0.00 H new ATOM 0 HE2 TYR X 33 18.999 -7.551 3.930 1.00 0.00 H new ATOM 0 HH TYR X 33 18.499 -8.267 1.875 1.00 0.00 H new ATOM 528 N ALA X 34 25.408 -4.116 3.175 1.00 0.00 N ATOM 529 CA ALA X 34 26.166 -3.791 1.971 1.00 0.00 C ATOM 530 C ALA X 34 27.453 -4.606 1.923 1.00 0.00 C ATOM 531 O ALA X 34 27.792 -5.194 0.896 1.00 0.00 O ATOM 532 CB ALA X 34 26.503 -2.301 1.948 1.00 0.00 C ATOM 0 H ALA X 34 25.313 -3.349 3.841 1.00 0.00 H new ATOM 0 HA ALA X 34 25.556 -4.034 1.101 1.00 0.00 H new ATOM 0 HB1 ALA X 34 27.069 -2.070 1.045 1.00 0.00 H new ATOM 0 HB2 ALA X 34 25.581 -1.719 1.958 1.00 0.00 H new ATOM 0 HB3 ALA X 34 27.100 -2.049 2.825 1.00 0.00 H new ATOM 538 N ASN X 35 28.164 -4.634 3.045 1.00 0.00 N ATOM 539 CA ASN X 35 29.414 -5.380 3.130 1.00 0.00 C ATOM 540 C ASN X 35 29.157 -6.872 2.954 1.00 0.00 C ATOM 541 O ASN X 35 29.910 -7.566 2.270 1.00 0.00 O ATOM 542 CB ASN X 35 30.077 -5.131 4.486 1.00 0.00 C ATOM 543 CG ASN X 35 31.528 -5.599 4.451 1.00 0.00 C ATOM 544 OD1 ASN X 35 31.958 -6.221 3.478 1.00 0.00 O ATOM 545 ND2 ASN X 35 32.313 -5.337 5.460 1.00 0.00 N ATOM 0 H ASN X 35 27.898 -4.152 3.904 1.00 0.00 H new ATOM 0 HA ASN X 35 30.076 -5.040 2.334 1.00 0.00 H new ATOM 0 HB2 ASN X 35 30.034 -4.070 4.731 1.00 0.00 H new ATOM 0 HB3 ASN X 35 29.534 -5.661 5.268 1.00 0.00 H new ATOM 0 HD21 ASN X 35 33.285 -5.647 5.444 1.00 0.00 H new ATOM 0 HD22 ASN X 35 31.955 -4.822 6.264 1.00 0.00 H new ATOM 552 N ASP X 36 28.083 -7.359 3.569 1.00 0.00 N ATOM 553 CA ASP X 36 27.729 -8.771 3.468 1.00 0.00 C ATOM 554 C ASP X 36 27.327 -9.105 2.037 1.00 0.00 C ATOM 555 O ASP X 36 27.528 -10.224 1.564 1.00 0.00 O ATOM 556 CB ASP X 36 26.574 -9.094 4.415 1.00 0.00 C ATOM 557 CG ASP X 36 26.237 -10.579 4.336 1.00 0.00 C ATOM 558 OD1 ASP X 36 27.115 -11.381 4.611 1.00 0.00 O ATOM 559 OD2 ASP X 36 25.107 -10.894 4.001 1.00 0.00 O ATOM 0 H ASP X 36 27.447 -6.801 4.139 1.00 0.00 H new ATOM 0 HA ASP X 36 28.596 -9.370 3.747 1.00 0.00 H new ATOM 0 HB2 ASP X 36 26.845 -8.828 5.437 1.00 0.00 H new ATOM 0 HB3 ASP X 36 25.699 -8.499 4.152 1.00 0.00 H new ATOM 564 N ASN X 37 26.767 -8.116 1.354 1.00 0.00 N ATOM 565 CA ASN X 37 26.337 -8.268 -0.028 1.00 0.00 C ATOM 566 C ASN X 37 27.244 -7.433 -0.923 1.00 0.00 C ATOM 567 O ASN X 37 26.766 -6.619 -1.711 1.00 0.00 O ATOM 568 CB ASN X 37 24.886 -7.806 -0.185 1.00 0.00 C ATOM 569 CG ASN X 37 23.937 -8.882 0.334 1.00 0.00 C ATOM 570 OD1 ASN X 37 22.941 -9.198 -0.317 1.00 0.00 O ATOM 571 ND2 ASN X 37 24.188 -9.466 1.474 1.00 0.00 N ATOM 0 H ASN X 37 26.599 -7.188 1.742 1.00 0.00 H new ATOM 0 HA ASN X 37 26.400 -9.318 -0.314 1.00 0.00 H new ATOM 0 HB2 ASN X 37 24.730 -6.877 0.363 1.00 0.00 H new ATOM 0 HB3 ASN X 37 24.674 -7.597 -1.233 1.00 0.00 H new ATOM 0 HD21 ASN X 37 23.558 -10.186 1.828 1.00 0.00 H new ATOM 0 HD22 ASN X 37 25.014 -9.202 2.011 1.00 0.00 H new ATOM 578 N GLY X 38 28.554 -7.652 -0.791 1.00 0.00 N ATOM 579 CA GLY X 38 29.552 -6.929 -1.579 1.00 0.00 C ATOM 580 C GLY X 38 28.921 -5.863 -2.466 1.00 0.00 C ATOM 581 O GLY X 38 29.063 -5.899 -3.688 1.00 0.00 O ATOM 0 H GLY X 38 28.950 -8.330 -0.140 1.00 0.00 H new ATOM 0 HA2 GLY X 38 30.273 -6.461 -0.909 1.00 0.00 H new ATOM 0 HA3 GLY X 38 30.104 -7.635 -2.199 1.00 0.00 H new ATOM 585 N VAL X 39 28.224 -4.915 -1.850 1.00 0.00 N ATOM 586 CA VAL X 39 27.581 -3.851 -2.610 1.00 0.00 C ATOM 587 C VAL X 39 28.470 -2.615 -2.665 1.00 0.00 C ATOM 588 O VAL X 39 28.953 -2.136 -1.639 1.00 0.00 O ATOM 589 CB VAL X 39 26.240 -3.480 -1.975 1.00 0.00 C ATOM 590 CG1 VAL X 39 25.708 -2.200 -2.621 1.00 0.00 C ATOM 591 CG2 VAL X 39 25.237 -4.615 -2.197 1.00 0.00 C ATOM 0 H VAL X 39 28.091 -4.861 -0.840 1.00 0.00 H new ATOM 0 HA VAL X 39 27.414 -4.215 -3.624 1.00 0.00 H new ATOM 0 HB VAL X 39 26.377 -3.320 -0.906 1.00 0.00 H new ATOM 0 HG11 VAL X 39 24.752 -1.935 -2.169 1.00 0.00 H new ATOM 0 HG12 VAL X 39 26.421 -1.390 -2.465 1.00 0.00 H new ATOM 0 HG13 VAL X 39 25.571 -2.362 -3.690 1.00 0.00 H new ATOM 0 HG21 VAL X 39 24.282 -4.350 -1.744 1.00 0.00 H new ATOM 0 HG22 VAL X 39 25.100 -4.775 -3.266 1.00 0.00 H new ATOM 0 HG23 VAL X 39 25.615 -5.529 -1.739 1.00 0.00 H new ATOM 601 N ASP X 40 28.670 -2.098 -3.871 1.00 0.00 N ATOM 602 CA ASP X 40 29.489 -0.909 -4.053 1.00 0.00 C ATOM 603 C ASP X 40 28.703 0.159 -4.801 1.00 0.00 C ATOM 604 O ASP X 40 28.461 0.037 -6.002 1.00 0.00 O ATOM 605 CB ASP X 40 30.755 -1.259 -4.836 1.00 0.00 C ATOM 606 CG ASP X 40 31.750 -0.104 -4.761 1.00 0.00 C ATOM 607 OD1 ASP X 40 31.619 0.706 -3.859 1.00 0.00 O ATOM 608 OD2 ASP X 40 32.627 -0.049 -5.607 1.00 0.00 O ATOM 0 H ASP X 40 28.279 -2.481 -4.732 1.00 0.00 H new ATOM 0 HA ASP X 40 29.769 -0.524 -3.072 1.00 0.00 H new ATOM 0 HB2 ASP X 40 31.205 -2.165 -4.430 1.00 0.00 H new ATOM 0 HB3 ASP X 40 30.504 -1.467 -5.876 1.00 0.00 H new ATOM 613 N GLY X 41 28.300 1.202 -4.085 1.00 0.00 N ATOM 614 CA GLY X 41 27.534 2.279 -4.695 1.00 0.00 C ATOM 615 C GLY X 41 27.657 3.561 -3.890 1.00 0.00 C ATOM 616 O GLY X 41 28.653 3.783 -3.201 1.00 0.00 O ATOM 0 H GLY X 41 28.489 1.324 -3.090 1.00 0.00 H new ATOM 0 HA2 GLY X 41 27.887 2.449 -5.712 1.00 0.00 H new ATOM 0 HA3 GLY X 41 26.486 1.989 -4.765 1.00 0.00 H new ATOM 620 N GLU X 42 26.628 4.391 -3.965 1.00 0.00 N ATOM 621 CA GLU X 42 26.614 5.639 -3.226 1.00 0.00 C ATOM 622 C GLU X 42 25.728 5.483 -2.001 1.00 0.00 C ATOM 623 O GLU X 42 24.655 4.885 -2.071 1.00 0.00 O ATOM 624 CB GLU X 42 26.094 6.774 -4.110 1.00 0.00 C ATOM 625 CG GLU X 42 27.055 6.991 -5.280 1.00 0.00 C ATOM 626 CD GLU X 42 26.537 8.108 -6.180 1.00 0.00 C ATOM 627 OE1 GLU X 42 25.431 8.566 -5.946 1.00 0.00 O ATOM 628 OE2 GLU X 42 27.254 8.489 -7.090 1.00 0.00 O ATOM 0 H GLU X 42 25.795 4.222 -4.529 1.00 0.00 H new ATOM 0 HA GLU X 42 27.629 5.885 -2.913 1.00 0.00 H new ATOM 0 HB2 GLU X 42 25.099 6.532 -4.483 1.00 0.00 H new ATOM 0 HB3 GLU X 42 26.002 7.690 -3.527 1.00 0.00 H new ATOM 0 HG2 GLU X 42 28.046 7.245 -4.905 1.00 0.00 H new ATOM 0 HG3 GLU X 42 27.158 6.069 -5.853 1.00 0.00 H new ATOM 635 N TRP X 43 26.184 6.016 -0.881 1.00 0.00 N ATOM 636 CA TRP X 43 25.422 5.917 0.350 1.00 0.00 C ATOM 637 C TRP X 43 24.923 7.289 0.793 1.00 0.00 C ATOM 638 O TRP X 43 25.631 8.288 0.678 1.00 0.00 O ATOM 639 CB TRP X 43 26.281 5.319 1.459 1.00 0.00 C ATOM 640 CG TRP X 43 25.439 4.406 2.282 1.00 0.00 C ATOM 641 CD1 TRP X 43 24.297 4.758 2.914 1.00 0.00 C ATOM 642 CD2 TRP X 43 25.644 2.999 2.561 1.00 0.00 C ATOM 643 NE1 TRP X 43 23.790 3.650 3.566 1.00 0.00 N ATOM 644 CE2 TRP X 43 24.587 2.541 3.379 1.00 0.00 C ATOM 645 CE3 TRP X 43 26.638 2.086 2.187 1.00 0.00 C ATOM 646 CZ2 TRP X 43 24.519 1.219 3.812 1.00 0.00 C ATOM 647 CZ3 TRP X 43 26.575 0.758 2.617 1.00 0.00 C ATOM 648 CH2 TRP X 43 25.517 0.322 3.429 1.00 0.00 C ATOM 0 H TRP X 43 27.069 6.517 -0.799 1.00 0.00 H new ATOM 0 HA TRP X 43 24.566 5.270 0.160 1.00 0.00 H new ATOM 0 HB2 TRP X 43 27.122 4.773 1.032 1.00 0.00 H new ATOM 0 HB3 TRP X 43 26.698 6.111 2.081 1.00 0.00 H new ATOM 0 HD1 TRP X 43 23.854 5.743 2.910 1.00 0.00 H new ATOM 0 HE1 TRP X 43 22.932 3.653 4.118 1.00 0.00 H new ATOM 0 HE3 TRP X 43 27.458 2.410 1.563 1.00 0.00 H new ATOM 0 HZ2 TRP X 43 23.702 0.891 4.438 1.00 0.00 H new ATOM 0 HZ3 TRP X 43 27.346 0.062 2.322 1.00 0.00 H new ATOM 0 HH2 TRP X 43 25.475 -0.706 3.757 1.00 0.00 H new ATOM 659 N THR X 44 23.700 7.320 1.312 1.00 0.00 N ATOM 660 CA THR X 44 23.108 8.564 1.788 1.00 0.00 C ATOM 661 C THR X 44 22.565 8.375 3.200 1.00 0.00 C ATOM 662 O THR X 44 22.248 7.256 3.606 1.00 0.00 O ATOM 663 CB THR X 44 21.974 9.000 0.857 1.00 0.00 C ATOM 664 OG1 THR X 44 20.778 9.153 1.610 1.00 0.00 O ATOM 665 CG2 THR X 44 21.767 7.940 -0.226 1.00 0.00 C ATOM 0 H THR X 44 23.101 6.500 1.413 1.00 0.00 H new ATOM 0 HA THR X 44 23.878 9.336 1.798 1.00 0.00 H new ATOM 0 HB THR X 44 22.231 9.950 0.388 1.00 0.00 H new ATOM 0 HG1 THR X 44 20.051 9.434 1.016 1.00 0.00 H new ATOM 0 HG21 THR X 44 20.959 8.250 -0.889 1.00 0.00 H new ATOM 0 HG22 THR X 44 22.685 7.824 -0.802 1.00 0.00 H new ATOM 0 HG23 THR X 44 21.509 6.989 0.240 1.00 0.00 H new ATOM 673 N TYR X 45 22.461 9.468 3.948 1.00 0.00 N ATOM 674 CA TYR X 45 21.955 9.392 5.314 1.00 0.00 C ATOM 675 C TYR X 45 21.066 10.588 5.632 1.00 0.00 C ATOM 676 O TYR X 45 21.464 11.739 5.451 1.00 0.00 O ATOM 677 CB TYR X 45 23.123 9.346 6.300 1.00 0.00 C ATOM 678 CG TYR X 45 22.646 9.754 7.673 1.00 0.00 C ATOM 679 CD1 TYR X 45 21.397 9.325 8.140 1.00 0.00 C ATOM 680 CD2 TYR X 45 23.453 10.563 8.482 1.00 0.00 C ATOM 681 CE1 TYR X 45 20.956 9.705 9.413 1.00 0.00 C ATOM 682 CE2 TYR X 45 23.014 10.942 9.755 1.00 0.00 C ATOM 683 CZ TYR X 45 21.765 10.513 10.221 1.00 0.00 C ATOM 684 OH TYR X 45 21.332 10.887 11.477 1.00 0.00 O ATOM 0 H TYR X 45 22.716 10.405 3.637 1.00 0.00 H new ATOM 0 HA TYR X 45 21.361 8.483 5.408 1.00 0.00 H new ATOM 0 HB2 TYR X 45 23.543 8.341 6.334 1.00 0.00 H new ATOM 0 HB3 TYR X 45 23.919 10.013 5.968 1.00 0.00 H new ATOM 0 HD1 TYR X 45 20.774 8.700 7.517 1.00 0.00 H new ATOM 0 HD2 TYR X 45 24.416 10.895 8.123 1.00 0.00 H new ATOM 0 HE1 TYR X 45 19.992 9.375 9.772 1.00 0.00 H new ATOM 0 HE2 TYR X 45 23.638 11.565 10.378 1.00 0.00 H new ATOM 0 HH TYR X 45 22.014 11.446 11.905 1.00 0.00 H new ATOM 694 N ASP X 46 19.860 10.306 6.116 1.00 0.00 N ATOM 695 CA ASP X 46 18.918 11.362 6.466 1.00 0.00 C ATOM 696 C ASP X 46 18.614 11.324 7.961 1.00 0.00 C ATOM 697 O ASP X 46 18.164 10.305 8.486 1.00 0.00 O ATOM 698 CB ASP X 46 17.622 11.192 5.671 1.00 0.00 C ATOM 699 CG ASP X 46 17.849 11.582 4.215 1.00 0.00 C ATOM 700 OD1 ASP X 46 18.590 10.884 3.544 1.00 0.00 O ATOM 701 OD2 ASP X 46 17.279 12.576 3.793 1.00 0.00 O ATOM 0 H ASP X 46 19.514 9.360 6.274 1.00 0.00 H new ATOM 0 HA ASP X 46 19.366 12.325 6.220 1.00 0.00 H new ATOM 0 HB2 ASP X 46 17.282 10.158 5.730 1.00 0.00 H new ATOM 0 HB3 ASP X 46 16.836 11.811 6.104 1.00 0.00 H new ATOM 706 N ASP X 47 18.869 12.436 8.642 1.00 0.00 N ATOM 707 CA ASP X 47 18.626 12.515 10.078 1.00 0.00 C ATOM 708 C ASP X 47 17.138 12.673 10.368 1.00 0.00 C ATOM 709 O ASP X 47 16.651 12.260 11.421 1.00 0.00 O ATOM 710 CB ASP X 47 19.384 13.705 10.666 1.00 0.00 C ATOM 711 CG ASP X 47 18.922 14.997 9.999 1.00 0.00 C ATOM 712 OD1 ASP X 47 17.723 15.174 9.862 1.00 0.00 O ATOM 713 OD2 ASP X 47 19.776 15.790 9.636 1.00 0.00 O ATOM 0 H ASP X 47 19.241 13.290 8.226 1.00 0.00 H new ATOM 0 HA ASP X 47 18.977 11.590 10.536 1.00 0.00 H new ATOM 0 HB2 ASP X 47 19.214 13.760 11.741 1.00 0.00 H new ATOM 0 HB3 ASP X 47 20.456 13.573 10.519 1.00 0.00 H new ATOM 718 N ALA X 48 16.422 13.283 9.431 1.00 0.00 N ATOM 719 CA ALA X 48 14.991 13.503 9.597 1.00 0.00 C ATOM 720 C ALA X 48 14.218 12.205 9.400 1.00 0.00 C ATOM 721 O ALA X 48 13.176 11.992 10.019 1.00 0.00 O ATOM 722 CB ALA X 48 14.503 14.544 8.589 1.00 0.00 C ATOM 0 H ALA X 48 16.806 13.632 8.553 1.00 0.00 H new ATOM 0 HA ALA X 48 14.816 13.865 10.610 1.00 0.00 H new ATOM 0 HB1 ALA X 48 13.433 14.703 8.719 1.00 0.00 H new ATOM 0 HB2 ALA X 48 15.032 15.483 8.751 1.00 0.00 H new ATOM 0 HB3 ALA X 48 14.696 14.189 7.577 1.00 0.00 H new ATOM 728 N THR X 49 14.731 11.343 8.530 1.00 0.00 N ATOM 729 CA THR X 49 14.075 10.071 8.258 1.00 0.00 C ATOM 730 C THR X 49 14.892 8.912 8.820 1.00 0.00 C ATOM 731 O THR X 49 14.474 7.756 8.752 1.00 0.00 O ATOM 732 CB THR X 49 13.901 9.894 6.748 1.00 0.00 C ATOM 733 OG1 THR X 49 15.064 10.363 6.081 1.00 0.00 O ATOM 734 CG2 THR X 49 12.683 10.688 6.273 1.00 0.00 C ATOM 0 H THR X 49 15.592 11.500 8.005 1.00 0.00 H new ATOM 0 HA THR X 49 13.098 10.074 8.741 1.00 0.00 H new ATOM 0 HB THR X 49 13.752 8.838 6.522 1.00 0.00 H new ATOM 0 HG1 THR X 49 14.955 10.249 5.114 1.00 0.00 H new ATOM 0 HG21 THR X 49 12.562 10.560 5.197 1.00 0.00 H new ATOM 0 HG22 THR X 49 11.791 10.326 6.784 1.00 0.00 H new ATOM 0 HG23 THR X 49 12.827 11.745 6.498 1.00 0.00 H new ATOM 742 N LYS X 50 16.061 9.228 9.369 1.00 0.00 N ATOM 743 CA LYS X 50 16.931 8.204 9.935 1.00 0.00 C ATOM 744 C LYS X 50 16.943 6.970 9.043 1.00 0.00 C ATOM 745 O LYS X 50 16.898 5.845 9.534 1.00 0.00 O ATOM 746 CB LYS X 50 16.455 7.797 11.335 1.00 0.00 C ATOM 747 CG LYS X 50 15.704 8.949 12.008 1.00 0.00 C ATOM 748 CD LYS X 50 14.205 8.643 12.013 1.00 0.00 C ATOM 749 CE LYS X 50 13.482 9.643 12.918 1.00 0.00 C ATOM 750 NZ LYS X 50 14.344 10.840 13.125 1.00 0.00 N ATOM 0 H LYS X 50 16.425 10.178 9.434 1.00 0.00 H new ATOM 0 HA LYS X 50 17.936 8.621 10.003 1.00 0.00 H new ATOM 0 HB2 LYS X 50 15.805 6.925 11.264 1.00 0.00 H new ATOM 0 HB3 LYS X 50 17.310 7.508 11.946 1.00 0.00 H new ATOM 0 HG2 LYS X 50 16.062 9.085 13.028 1.00 0.00 H new ATOM 0 HG3 LYS X 50 15.894 9.882 11.477 1.00 0.00 H new ATOM 0 HD2 LYS X 50 13.808 8.701 10.999 1.00 0.00 H new ATOM 0 HD3 LYS X 50 14.032 7.626 12.366 1.00 0.00 H new ATOM 0 HE2 LYS X 50 12.534 9.938 12.468 1.00 0.00 H new ATOM 0 HE3 LYS X 50 13.249 9.179 13.877 1.00 0.00 H new ATOM 0 HZ1 LYS X 50 13.794 11.587 13.595 1.00 0.00 H new ATOM 0 HZ2 LYS X 50 15.157 10.583 13.720 1.00 0.00 H new ATOM 0 HZ3 LYS X 50 14.684 11.187 12.205 1.00 0.00 H new ATOM 764 N THR X 51 16.992 7.185 7.735 1.00 0.00 N ATOM 765 CA THR X 51 16.995 6.074 6.795 1.00 0.00 C ATOM 766 C THR X 51 18.279 6.056 5.971 1.00 0.00 C ATOM 767 O THR X 51 18.719 7.088 5.466 1.00 0.00 O ATOM 768 CB THR X 51 15.788 6.185 5.863 1.00 0.00 C ATOM 769 OG1 THR X 51 14.593 6.114 6.630 1.00 0.00 O ATOM 770 CG2 THR X 51 15.816 5.041 4.850 1.00 0.00 C ATOM 0 H THR X 51 17.030 8.109 7.305 1.00 0.00 H new ATOM 0 HA THR X 51 16.939 5.145 7.363 1.00 0.00 H new ATOM 0 HB THR X 51 15.824 7.136 5.332 1.00 0.00 H new ATOM 0 HG1 THR X 51 14.561 6.868 7.256 1.00 0.00 H new ATOM 0 HG21 THR X 51 14.955 5.121 4.186 1.00 0.00 H new ATOM 0 HG22 THR X 51 16.733 5.097 4.263 1.00 0.00 H new ATOM 0 HG23 THR X 51 15.780 4.087 5.377 1.00 0.00 H new ATOM 778 N PHE X 52 18.869 4.872 5.835 1.00 0.00 N ATOM 779 CA PHE X 52 20.099 4.720 5.066 1.00 0.00 C ATOM 780 C PHE X 52 19.870 3.776 3.890 1.00 0.00 C ATOM 781 O PHE X 52 19.302 2.700 4.051 1.00 0.00 O ATOM 782 CB PHE X 52 21.204 4.156 5.961 1.00 0.00 C ATOM 783 CG PHE X 52 21.332 5.009 7.201 1.00 0.00 C ATOM 784 CD1 PHE X 52 20.446 4.828 8.270 1.00 0.00 C ATOM 785 CD2 PHE X 52 22.338 5.979 7.282 1.00 0.00 C ATOM 786 CE1 PHE X 52 20.566 5.618 9.419 1.00 0.00 C ATOM 787 CE2 PHE X 52 22.457 6.770 8.431 1.00 0.00 C ATOM 788 CZ PHE X 52 21.572 6.588 9.500 1.00 0.00 C ATOM 0 H PHE X 52 18.517 4.007 6.246 1.00 0.00 H new ATOM 0 HA PHE X 52 20.399 5.697 4.688 1.00 0.00 H new ATOM 0 HB2 PHE X 52 20.974 3.127 6.237 1.00 0.00 H new ATOM 0 HB3 PHE X 52 22.150 4.137 5.420 1.00 0.00 H new ATOM 0 HD1 PHE X 52 19.670 4.079 8.208 1.00 0.00 H new ATOM 0 HD2 PHE X 52 23.022 6.117 6.458 1.00 0.00 H new ATOM 0 HE1 PHE X 52 19.882 5.479 10.243 1.00 0.00 H new ATOM 0 HE2 PHE X 52 23.231 7.520 8.492 1.00 0.00 H new ATOM 0 HZ PHE X 52 21.665 7.196 10.388 1.00 0.00 H new ATOM 798 N THR X 53 20.310 4.191 2.708 1.00 0.00 N ATOM 799 CA THR X 53 20.142 3.375 1.510 1.00 0.00 C ATOM 800 C THR X 53 21.354 3.510 0.597 1.00 0.00 C ATOM 801 O THR X 53 22.067 4.513 0.646 1.00 0.00 O ATOM 802 CB THR X 53 18.888 3.821 0.753 1.00 0.00 C ATOM 803 OG1 THR X 53 18.985 5.206 0.455 1.00 0.00 O ATOM 804 CG2 THR X 53 17.652 3.567 1.616 1.00 0.00 C ATOM 0 H THR X 53 20.783 5.081 2.553 1.00 0.00 H new ATOM 0 HA THR X 53 20.040 2.333 1.813 1.00 0.00 H new ATOM 0 HB THR X 53 18.802 3.255 -0.175 1.00 0.00 H new ATOM 0 HG1 THR X 53 18.184 5.493 -0.031 1.00 0.00 H new ATOM 0 HG21 THR X 53 16.760 3.885 1.076 1.00 0.00 H new ATOM 0 HG22 THR X 53 17.579 2.503 1.843 1.00 0.00 H new ATOM 0 HG23 THR X 53 17.734 4.131 2.545 1.00 0.00 H new ATOM 812 N VAL X 54 21.582 2.504 -0.239 1.00 0.00 N ATOM 813 CA VAL X 54 22.712 2.537 -1.161 1.00 0.00 C ATOM 814 C VAL X 54 22.252 2.221 -2.577 1.00 0.00 C ATOM 815 O VAL X 54 21.608 1.199 -2.819 1.00 0.00 O ATOM 816 CB VAL X 54 23.769 1.521 -0.726 1.00 0.00 C ATOM 817 CG1 VAL X 54 25.162 2.050 -1.076 1.00 0.00 C ATOM 818 CG2 VAL X 54 23.671 1.307 0.786 1.00 0.00 C ATOM 0 H VAL X 54 21.007 1.664 -0.298 1.00 0.00 H new ATOM 0 HA VAL X 54 23.143 3.538 -1.145 1.00 0.00 H new ATOM 0 HB VAL X 54 23.601 0.576 -1.242 1.00 0.00 H new ATOM 0 HG11 VAL X 54 25.915 1.325 -0.766 1.00 0.00 H new ATOM 0 HG12 VAL X 54 25.232 2.207 -2.152 1.00 0.00 H new ATOM 0 HG13 VAL X 54 25.333 2.995 -0.560 1.00 0.00 H new ATOM 0 HG21 VAL X 54 24.423 0.583 1.101 1.00 0.00 H new ATOM 0 HG22 VAL X 54 23.841 2.253 1.299 1.00 0.00 H new ATOM 0 HG23 VAL X 54 22.679 0.932 1.037 1.00 0.00 H new ATOM 828 N THR X 55 22.586 3.099 -3.509 1.00 0.00 N ATOM 829 CA THR X 55 22.206 2.905 -4.897 1.00 0.00 C ATOM 830 C THR X 55 23.438 2.964 -5.789 1.00 0.00 C ATOM 831 O THR X 55 24.252 3.881 -5.675 1.00 0.00 O ATOM 832 CB THR X 55 21.215 3.986 -5.313 1.00 0.00 C ATOM 833 OG1 THR X 55 20.306 4.228 -4.248 1.00 0.00 O ATOM 834 CG2 THR X 55 20.443 3.523 -6.550 1.00 0.00 C ATOM 0 H THR X 55 23.118 3.950 -3.329 1.00 0.00 H new ATOM 0 HA THR X 55 21.739 1.926 -5.005 1.00 0.00 H new ATOM 0 HB THR X 55 21.754 4.904 -5.546 1.00 0.00 H new ATOM 0 HG1 THR X 55 19.669 4.924 -4.513 1.00 0.00 H new ATOM 0 HG21 THR X 55 19.734 4.296 -6.847 1.00 0.00 H new ATOM 0 HG22 THR X 55 21.141 3.337 -7.366 1.00 0.00 H new ATOM 0 HG23 THR X 55 19.903 2.605 -6.319 1.00 0.00 H new ATOM 842 N GLU X 56 23.576 1.985 -6.672 1.00 0.00 N ATOM 843 CA GLU X 56 24.722 1.946 -7.570 1.00 0.00 C ATOM 844 C GLU X 56 24.391 2.628 -8.893 1.00 0.00 C ATOM 845 O GLU X 56 25.212 3.400 -9.360 1.00 0.00 O ATOM 846 CB GLU X 56 25.131 0.494 -7.829 1.00 0.00 C ATOM 847 CG GLU X 56 24.630 -0.390 -6.686 1.00 0.00 C ATOM 848 CD GLU X 56 24.947 -1.852 -6.982 1.00 0.00 C ATOM 849 OE1 GLU X 56 24.645 -2.293 -8.079 1.00 0.00 O ATOM 850 OE2 GLU X 56 25.488 -2.510 -6.108 1.00 0.00 O ATOM 851 OXT GLU X 56 23.323 2.367 -9.422 1.00 0.00 O ATOM 0 H GLU X 56 22.917 1.215 -6.786 1.00 0.00 H new ATOM 0 HA GLU X 56 25.548 2.478 -7.099 1.00 0.00 H new ATOM 0 HB2 GLU X 56 24.715 0.152 -8.777 1.00 0.00 H new ATOM 0 HB3 GLU X 56 26.215 0.420 -7.912 1.00 0.00 H new ATOM 0 HG2 GLU X 56 25.100 -0.089 -5.750 1.00 0.00 H new ATOM 0 HG3 GLU X 56 23.555 -0.261 -6.559 1.00 0.00 H new TER 858 GLU X 56