USER MOD reduce.3.24.130724 H: found=0, std=0, add=422, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 420 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 34 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 38 ASN : amide:sc= -0.0424 K(o=-0.042,f=-1.3!) USER MOD Set 2.1: A 9 ASN : amide:sc= 1.26 K(o=2.4,f=-5.8!) USER MOD Set 2.2: A 14 LYS NZ :NH3+ -172:sc= 1.15 (180deg=0) USER MOD Single : A 1 MET CE :methyl 178:sc= -0.712 (180deg=-0.716) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 137:sc= 0.345 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -106:sc= 1.27 (180deg=0.0333) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot -131:sc= 0.0409 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.1 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.0314 X(o=-0.031,f=0) USER MOD Single : A 36 ASN : amide:sc= -0.0593 K(o=-0.059,f=-0.74) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 86:sc= 1.27 USER MOD Single : A 51 LYS NZ :NH3+ 167:sc= -0.066 (180deg=-0.214) USER MOD Single : A 52 THR OG1 : rot 180:sc=-0.00141 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -17.825 2.057 2.764 1.00 0.00 N ATOM 2 CA MET A 1 -16.404 2.313 3.040 1.00 0.00 C ATOM 3 C MET A 1 -15.630 1.005 3.154 1.00 0.00 C ATOM 4 O MET A 1 -16.061 0.087 3.857 1.00 0.00 O ATOM 5 CB MET A 1 -16.209 3.132 4.327 1.00 0.00 C ATOM 6 CG MET A 1 -14.868 3.867 4.306 1.00 0.00 C ATOM 7 SD MET A 1 -14.645 4.966 2.879 1.00 0.00 S ATOM 8 CE MET A 1 -13.179 5.873 3.428 1.00 0.00 C ATOM 0 H1 MET A 1 -18.333 2.962 2.690 1.00 0.00 H new ATOM 0 H2 MET A 1 -17.916 1.535 1.869 1.00 0.00 H new ATOM 0 H3 MET A 1 -18.233 1.493 3.537 1.00 0.00 H new ATOM 0 HA MET A 1 -16.019 2.892 2.201 1.00 0.00 H new ATOM 0 HB2 MET A 1 -17.021 3.851 4.432 1.00 0.00 H new ATOM 0 HB3 MET A 1 -16.253 2.472 5.193 1.00 0.00 H new ATOM 0 HG2 MET A 1 -14.773 4.453 5.220 1.00 0.00 H new ATOM 0 HG3 MET A 1 -14.063 3.132 4.314 1.00 0.00 H new ATOM 0 HE1 MET A 1 -12.874 6.575 2.652 1.00 0.00 H new ATOM 0 HE2 MET A 1 -13.411 6.420 4.342 1.00 0.00 H new ATOM 0 HE3 MET A 1 -12.368 5.171 3.621 1.00 0.00 H new ATOM 18 N GLY A 2 -14.472 0.918 2.499 1.00 0.00 N ATOM 19 CA GLY A 2 -13.597 -0.244 2.514 1.00 0.00 C ATOM 20 C GLY A 2 -12.234 0.181 3.037 1.00 0.00 C ATOM 21 O GLY A 2 -11.774 1.299 2.784 1.00 0.00 O ATOM 0 H GLY A 2 -14.110 1.681 1.927 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -14.018 -1.026 3.146 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -13.504 -0.660 1.511 1.00 0.00 H new ATOM 25 N THR A 3 -11.590 -0.707 3.788 1.00 0.00 N ATOM 26 CA THR A 3 -10.279 -0.464 4.372 1.00 0.00 C ATOM 27 C THR A 3 -9.216 -1.111 3.482 1.00 0.00 C ATOM 28 O THR A 3 -9.472 -2.161 2.890 1.00 0.00 O ATOM 29 CB THR A 3 -10.258 -1.014 5.808 1.00 0.00 C ATOM 30 OG1 THR A 3 -11.416 -0.597 6.506 1.00 0.00 O ATOM 31 CG2 THR A 3 -9.050 -0.510 6.600 1.00 0.00 C ATOM 0 H THR A 3 -11.971 -1.627 4.010 1.00 0.00 H new ATOM 0 HA THR A 3 -10.063 0.603 4.427 1.00 0.00 H new ATOM 0 HB THR A 3 -10.211 -2.100 5.723 1.00 0.00 H new ATOM 0 HG1 THR A 3 -11.394 -0.954 7.419 1.00 0.00 H new ATOM 0 HG21 THR A 3 -9.077 -0.924 7.608 1.00 0.00 H new ATOM 0 HG22 THR A 3 -8.132 -0.824 6.103 1.00 0.00 H new ATOM 0 HG23 THR A 3 -9.079 0.578 6.654 1.00 0.00 H new ATOM 39 N TYR A 4 -8.033 -0.506 3.373 1.00 0.00 N ATOM 40 CA TYR A 4 -6.928 -1.021 2.584 1.00 0.00 C ATOM 41 C TYR A 4 -5.708 -1.057 3.496 1.00 0.00 C ATOM 42 O TYR A 4 -5.123 -0.020 3.810 1.00 0.00 O ATOM 43 CB TYR A 4 -6.677 -0.177 1.325 1.00 0.00 C ATOM 44 CG TYR A 4 -7.643 -0.420 0.179 1.00 0.00 C ATOM 45 CD1 TYR A 4 -7.385 -1.447 -0.754 1.00 0.00 C ATOM 46 CD2 TYR A 4 -8.777 0.399 0.019 1.00 0.00 C ATOM 47 CE1 TYR A 4 -8.244 -1.642 -1.853 1.00 0.00 C ATOM 48 CE2 TYR A 4 -9.641 0.206 -1.074 1.00 0.00 C ATOM 49 CZ TYR A 4 -9.378 -0.813 -2.018 1.00 0.00 C ATOM 50 OH TYR A 4 -10.233 -0.997 -3.062 1.00 0.00 O ATOM 0 H TYR A 4 -7.818 0.373 3.843 1.00 0.00 H new ATOM 0 HA TYR A 4 -7.159 -2.021 2.218 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -6.722 0.877 1.599 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -5.664 -0.372 0.973 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -6.524 -2.087 -0.625 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -8.984 1.178 0.738 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -8.037 -2.424 -2.569 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -10.508 0.838 -1.193 1.00 0.00 H new ATOM 0 HH TYR A 4 -10.955 -0.336 -3.014 1.00 0.00 H new ATOM 60 N LYS A 5 -5.383 -2.236 4.020 1.00 0.00 N ATOM 61 CA LYS A 5 -4.220 -2.413 4.873 1.00 0.00 C ATOM 62 C LYS A 5 -3.031 -2.368 3.924 1.00 0.00 C ATOM 63 O LYS A 5 -3.082 -3.000 2.873 1.00 0.00 O ATOM 64 CB LYS A 5 -4.326 -3.753 5.595 1.00 0.00 C ATOM 65 CG LYS A 5 -3.215 -3.890 6.632 1.00 0.00 C ATOM 66 CD LYS A 5 -3.380 -5.212 7.371 1.00 0.00 C ATOM 67 CE LYS A 5 -2.480 -5.191 8.600 1.00 0.00 C ATOM 68 NZ LYS A 5 -2.509 -6.470 9.319 1.00 0.00 N ATOM 0 H LYS A 5 -5.918 -3.090 3.864 1.00 0.00 H new ATOM 0 HA LYS A 5 -4.127 -1.651 5.646 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -5.298 -3.835 6.082 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -4.261 -4.568 4.874 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -2.240 -3.851 6.146 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -3.254 -3.059 7.336 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -4.420 -5.355 7.665 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -3.115 -6.046 6.721 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -1.457 -4.967 8.298 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -2.797 -4.391 9.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -1.543 -6.732 9.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -3.104 -6.378 10.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -2.901 -7.208 8.699 1.00 0.00 H new ATOM 82 N LEU A 6 -1.970 -1.648 4.266 1.00 0.00 N ATOM 83 CA LEU A 6 -0.797 -1.518 3.417 1.00 0.00 C ATOM 84 C LEU A 6 0.382 -2.256 4.033 1.00 0.00 C ATOM 85 O LEU A 6 0.719 -1.997 5.191 1.00 0.00 O ATOM 86 CB LEU A 6 -0.477 -0.025 3.280 1.00 0.00 C ATOM 87 CG LEU A 6 0.305 0.381 2.017 1.00 0.00 C ATOM 88 CD1 LEU A 6 1.154 1.595 2.356 1.00 0.00 C ATOM 89 CD2 LEU A 6 1.266 -0.628 1.388 1.00 0.00 C ATOM 0 H LEU A 6 -1.901 -1.136 5.145 1.00 0.00 H new ATOM 0 HA LEU A 6 -0.990 -1.953 2.436 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -1.414 0.531 3.298 1.00 0.00 H new ATOM 0 HB3 LEU A 6 0.095 0.286 4.154 1.00 0.00 H new ATOM 0 HG LEU A 6 -0.486 0.526 1.281 1.00 0.00 H new ATOM 0 HD11 LEU A 6 1.718 1.902 1.475 1.00 0.00 H new ATOM 0 HD12 LEU A 6 0.508 2.413 2.676 1.00 0.00 H new ATOM 0 HD13 LEU A 6 1.845 1.342 3.160 1.00 0.00 H new ATOM 0 HD21 LEU A 6 1.735 -0.185 0.509 1.00 0.00 H new ATOM 0 HD22 LEU A 6 2.035 -0.898 2.112 1.00 0.00 H new ATOM 0 HD23 LEU A 6 0.715 -1.521 1.094 1.00 0.00 H new ATOM 101 N ILE A 7 1.005 -3.151 3.272 1.00 0.00 N ATOM 102 CA ILE A 7 2.162 -3.937 3.655 1.00 0.00 C ATOM 103 C ILE A 7 3.288 -3.481 2.722 1.00 0.00 C ATOM 104 O ILE A 7 3.255 -3.718 1.513 1.00 0.00 O ATOM 105 CB ILE A 7 1.881 -5.457 3.585 1.00 0.00 C ATOM 106 CG1 ILE A 7 0.840 -5.935 4.628 1.00 0.00 C ATOM 107 CG2 ILE A 7 3.196 -6.216 3.839 1.00 0.00 C ATOM 108 CD1 ILE A 7 -0.620 -5.774 4.190 1.00 0.00 C ATOM 0 H ILE A 7 0.696 -3.354 2.322 1.00 0.00 H new ATOM 0 HA ILE A 7 2.439 -3.775 4.697 1.00 0.00 H new ATOM 0 HB ILE A 7 1.473 -5.660 2.595 1.00 0.00 H new ATOM 0 HG12 ILE A 7 1.025 -6.986 4.852 1.00 0.00 H new ATOM 0 HG13 ILE A 7 0.991 -5.380 5.554 1.00 0.00 H new ATOM 0 HG21 ILE A 7 3.011 -7.289 3.792 1.00 0.00 H new ATOM 0 HG22 ILE A 7 3.928 -5.940 3.080 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.581 -5.957 4.825 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -1.279 -6.134 4.980 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -0.828 -4.722 3.995 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -0.793 -6.352 3.282 1.00 0.00 H new ATOM 120 N LEU A 8 4.233 -2.732 3.279 1.00 0.00 N ATOM 121 CA LEU A 8 5.397 -2.206 2.592 1.00 0.00 C ATOM 122 C LEU A 8 6.438 -3.319 2.667 1.00 0.00 C ATOM 123 O LEU A 8 6.883 -3.641 3.769 1.00 0.00 O ATOM 124 CB LEU A 8 5.874 -0.919 3.311 1.00 0.00 C ATOM 125 CG LEU A 8 6.203 0.247 2.372 1.00 0.00 C ATOM 126 CD1 LEU A 8 4.948 0.792 1.688 1.00 0.00 C ATOM 127 CD2 LEU A 8 6.886 1.377 3.155 1.00 0.00 C ATOM 0 H LEU A 8 4.204 -2.466 4.263 1.00 0.00 H new ATOM 0 HA LEU A 8 5.200 -1.931 1.556 1.00 0.00 H new ATOM 0 HB2 LEU A 8 5.100 -0.600 4.009 1.00 0.00 H new ATOM 0 HB3 LEU A 8 6.759 -1.154 3.902 1.00 0.00 H new ATOM 0 HG LEU A 8 6.876 -0.131 1.602 1.00 0.00 H new ATOM 0 HD11 LEU A 8 5.221 1.617 1.030 1.00 0.00 H new ATOM 0 HD12 LEU A 8 4.480 0.001 1.102 1.00 0.00 H new ATOM 0 HD13 LEU A 8 4.247 1.147 2.443 1.00 0.00 H new ATOM 0 HD21 LEU A 8 7.116 2.201 2.479 1.00 0.00 H new ATOM 0 HD22 LEU A 8 6.219 1.729 3.942 1.00 0.00 H new ATOM 0 HD23 LEU A 8 7.809 1.005 3.600 1.00 0.00 H new ATOM 139 N ASN A 9 6.821 -3.928 1.544 1.00 0.00 N ATOM 140 CA ASN A 9 7.815 -4.998 1.508 1.00 0.00 C ATOM 141 C ASN A 9 8.900 -4.552 0.533 1.00 0.00 C ATOM 142 O ASN A 9 8.925 -4.956 -0.634 1.00 0.00 O ATOM 143 CB ASN A 9 7.149 -6.333 1.146 1.00 0.00 C ATOM 144 CG ASN A 9 8.128 -7.490 1.252 1.00 0.00 C ATOM 145 OD1 ASN A 9 8.075 -8.273 2.195 1.00 0.00 O ATOM 146 ND2 ASN A 9 9.060 -7.612 0.332 1.00 0.00 N ATOM 0 H ASN A 9 6.446 -3.689 0.626 1.00 0.00 H new ATOM 0 HA ASN A 9 8.276 -5.175 2.480 1.00 0.00 H new ATOM 0 HB2 ASN A 9 6.302 -6.510 1.809 1.00 0.00 H new ATOM 0 HB3 ASN A 9 6.754 -6.281 0.131 1.00 0.00 H new ATOM 0 HD21 ASN A 9 9.747 -8.363 0.399 1.00 0.00 H new ATOM 0 HD22 ASN A 9 9.096 -6.956 -0.448 1.00 0.00 H new ATOM 153 N GLY A 10 9.788 -3.689 1.026 1.00 0.00 N ATOM 154 CA GLY A 10 10.865 -3.136 0.234 1.00 0.00 C ATOM 155 C GLY A 10 12.140 -3.966 0.224 1.00 0.00 C ATOM 156 O GLY A 10 12.247 -4.955 0.952 1.00 0.00 O ATOM 0 H GLY A 10 9.773 -3.358 1.991 1.00 0.00 H new ATOM 0 HA2 GLY A 10 10.518 -3.016 -0.792 1.00 0.00 H new ATOM 0 HA3 GLY A 10 11.099 -2.140 0.610 1.00 0.00 H new ATOM 160 N LYS A 11 13.122 -3.553 -0.586 1.00 0.00 N ATOM 161 CA LYS A 11 14.415 -4.227 -0.718 1.00 0.00 C ATOM 162 C LYS A 11 15.386 -3.923 0.423 1.00 0.00 C ATOM 163 O LYS A 11 16.387 -4.632 0.534 1.00 0.00 O ATOM 164 CB LYS A 11 15.048 -4.046 -2.116 1.00 0.00 C ATOM 165 CG LYS A 11 15.714 -2.705 -2.515 1.00 0.00 C ATOM 166 CD LYS A 11 14.706 -1.667 -3.016 1.00 0.00 C ATOM 167 CE LYS A 11 15.296 -0.406 -3.664 1.00 0.00 C ATOM 168 NZ LYS A 11 14.239 0.436 -4.280 1.00 0.00 N ATOM 0 H LYS A 11 13.037 -2.726 -1.178 1.00 0.00 H new ATOM 0 HA LYS A 11 14.194 -5.290 -0.625 1.00 0.00 H new ATOM 0 HB2 LYS A 11 15.802 -4.825 -2.230 1.00 0.00 H new ATOM 0 HB3 LYS A 11 14.268 -4.248 -2.850 1.00 0.00 H new ATOM 0 HG2 LYS A 11 16.248 -2.300 -1.655 1.00 0.00 H new ATOM 0 HG3 LYS A 11 16.455 -2.890 -3.293 1.00 0.00 H new ATOM 0 HD2 LYS A 11 14.049 -2.149 -3.740 1.00 0.00 H new ATOM 0 HD3 LYS A 11 14.083 -1.361 -2.175 1.00 0.00 H new ATOM 0 HE2 LYS A 11 15.832 0.174 -2.912 1.00 0.00 H new ATOM 0 HE3 LYS A 11 16.023 -0.693 -4.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 14.282 0.345 -5.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 13.306 0.123 -3.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 14.388 1.430 -4.013 1.00 0.00 H new ATOM 182 N THR A 12 15.083 -2.952 1.289 1.00 0.00 N ATOM 183 CA THR A 12 15.948 -2.604 2.416 1.00 0.00 C ATOM 184 C THR A 12 15.155 -2.425 3.724 1.00 0.00 C ATOM 185 O THR A 12 15.737 -2.563 4.804 1.00 0.00 O ATOM 186 CB THR A 12 16.773 -1.347 2.069 1.00 0.00 C ATOM 187 OG1 THR A 12 17.260 -1.371 0.738 1.00 0.00 O ATOM 188 CG2 THR A 12 17.989 -1.194 2.994 1.00 0.00 C ATOM 0 H THR A 12 14.235 -2.388 1.228 1.00 0.00 H new ATOM 0 HA THR A 12 16.633 -3.434 2.591 1.00 0.00 H new ATOM 0 HB THR A 12 16.086 -0.510 2.197 1.00 0.00 H new ATOM 0 HG1 THR A 12 17.774 -0.555 0.563 1.00 0.00 H new ATOM 0 HG21 THR A 12 18.545 -0.298 2.719 1.00 0.00 H new ATOM 0 HG22 THR A 12 17.652 -1.109 4.027 1.00 0.00 H new ATOM 0 HG23 THR A 12 18.634 -2.067 2.894 1.00 0.00 H new ATOM 196 N LEU A 13 13.856 -2.098 3.672 1.00 0.00 N ATOM 197 CA LEU A 13 13.000 -1.909 4.848 1.00 0.00 C ATOM 198 C LEU A 13 11.565 -2.348 4.555 1.00 0.00 C ATOM 199 O LEU A 13 11.178 -2.493 3.391 1.00 0.00 O ATOM 200 CB LEU A 13 13.076 -0.453 5.373 1.00 0.00 C ATOM 201 CG LEU A 13 12.411 0.699 4.577 1.00 0.00 C ATOM 202 CD1 LEU A 13 12.848 0.765 3.114 1.00 0.00 C ATOM 203 CD2 LEU A 13 10.880 0.738 4.650 1.00 0.00 C ATOM 0 H LEU A 13 13.362 -1.955 2.791 1.00 0.00 H new ATOM 0 HA LEU A 13 13.374 -2.549 5.648 1.00 0.00 H new ATOM 0 HB2 LEU A 13 12.642 -0.447 6.373 1.00 0.00 H new ATOM 0 HB3 LEU A 13 14.131 -0.203 5.482 1.00 0.00 H new ATOM 0 HG LEU A 13 12.783 1.583 5.096 1.00 0.00 H new ATOM 0 HD11 LEU A 13 12.342 1.595 2.620 1.00 0.00 H new ATOM 0 HD12 LEU A 13 13.926 0.915 3.063 1.00 0.00 H new ATOM 0 HD13 LEU A 13 12.587 -0.168 2.614 1.00 0.00 H new ATOM 0 HD21 LEU A 13 10.509 1.578 4.062 1.00 0.00 H new ATOM 0 HD22 LEU A 13 10.473 -0.192 4.252 1.00 0.00 H new ATOM 0 HD23 LEU A 13 10.568 0.856 5.688 1.00 0.00 H new ATOM 215 N LYS A 14 10.757 -2.492 5.610 1.00 0.00 N ATOM 216 CA LYS A 14 9.354 -2.900 5.552 1.00 0.00 C ATOM 217 C LYS A 14 8.481 -2.028 6.443 1.00 0.00 C ATOM 218 O LYS A 14 9.000 -1.265 7.261 1.00 0.00 O ATOM 219 CB LYS A 14 9.199 -4.377 5.942 1.00 0.00 C ATOM 220 CG LYS A 14 10.076 -5.276 5.068 1.00 0.00 C ATOM 221 CD LYS A 14 9.550 -6.703 5.058 1.00 0.00 C ATOM 222 CE LYS A 14 10.566 -7.594 4.349 1.00 0.00 C ATOM 223 NZ LYS A 14 10.012 -8.925 4.042 1.00 0.00 N ATOM 0 H LYS A 14 11.077 -2.320 6.563 1.00 0.00 H new ATOM 0 HA LYS A 14 9.020 -2.771 4.522 1.00 0.00 H new ATOM 0 HB2 LYS A 14 9.469 -4.509 6.990 1.00 0.00 H new ATOM 0 HB3 LYS A 14 8.155 -4.675 5.842 1.00 0.00 H new ATOM 0 HG2 LYS A 14 10.102 -4.887 4.050 1.00 0.00 H new ATOM 0 HG3 LYS A 14 11.100 -5.264 5.440 1.00 0.00 H new ATOM 0 HD2 LYS A 14 9.387 -7.053 6.077 1.00 0.00 H new ATOM 0 HD3 LYS A 14 8.588 -6.747 4.548 1.00 0.00 H new ATOM 0 HE2 LYS A 14 10.888 -7.113 3.425 1.00 0.00 H new ATOM 0 HE3 LYS A 14 11.451 -7.705 4.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 10.769 -9.542 3.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 9.605 -9.339 4.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 9.270 -8.834 3.319 1.00 0.00 H new ATOM 237 N GLY A 15 7.162 -2.108 6.280 1.00 0.00 N ATOM 238 CA GLY A 15 6.206 -1.346 7.065 1.00 0.00 C ATOM 239 C GLY A 15 4.814 -1.967 6.978 1.00 0.00 C ATOM 240 O GLY A 15 4.547 -2.784 6.097 1.00 0.00 O ATOM 0 H GLY A 15 6.725 -2.715 5.586 1.00 0.00 H new ATOM 0 HA2 GLY A 15 6.529 -1.311 8.105 1.00 0.00 H new ATOM 0 HA3 GLY A 15 6.173 -0.317 6.707 1.00 0.00 H new ATOM 244 N GLU A 16 3.927 -1.597 7.900 1.00 0.00 N ATOM 245 CA GLU A 16 2.553 -2.066 7.966 1.00 0.00 C ATOM 246 C GLU A 16 1.717 -0.904 8.501 1.00 0.00 C ATOM 247 O GLU A 16 1.934 -0.458 9.631 1.00 0.00 O ATOM 248 CB GLU A 16 2.414 -3.314 8.857 1.00 0.00 C ATOM 249 CG GLU A 16 0.980 -3.867 8.749 1.00 0.00 C ATOM 250 CD GLU A 16 0.651 -4.905 9.819 1.00 0.00 C ATOM 251 OE1 GLU A 16 0.465 -4.530 10.995 1.00 0.00 O ATOM 252 OE2 GLU A 16 0.435 -6.094 9.476 1.00 0.00 O ATOM 0 H GLU A 16 4.158 -0.940 8.645 1.00 0.00 H new ATOM 0 HA GLU A 16 2.208 -2.371 6.978 1.00 0.00 H new ATOM 0 HB2 GLU A 16 3.132 -4.074 8.550 1.00 0.00 H new ATOM 0 HB3 GLU A 16 2.640 -3.061 9.893 1.00 0.00 H new ATOM 0 HG2 GLU A 16 0.273 -3.041 8.824 1.00 0.00 H new ATOM 0 HG3 GLU A 16 0.844 -4.314 7.764 1.00 0.00 H new ATOM 259 N THR A 17 0.749 -0.430 7.719 1.00 0.00 N ATOM 260 CA THR A 17 -0.156 0.673 8.046 1.00 0.00 C ATOM 261 C THR A 17 -1.550 0.324 7.489 1.00 0.00 C ATOM 262 O THR A 17 -1.750 -0.773 6.955 1.00 0.00 O ATOM 263 CB THR A 17 0.423 2.008 7.513 1.00 0.00 C ATOM 264 OG1 THR A 17 0.926 1.883 6.193 1.00 0.00 O ATOM 265 CG2 THR A 17 1.568 2.537 8.381 1.00 0.00 C ATOM 0 H THR A 17 0.565 -0.823 6.796 1.00 0.00 H new ATOM 0 HA THR A 17 -0.257 0.810 9.123 1.00 0.00 H new ATOM 0 HB THR A 17 -0.416 2.703 7.536 1.00 0.00 H new ATOM 0 HG1 THR A 17 1.825 2.269 6.148 1.00 0.00 H new ATOM 0 HG21 THR A 17 1.938 3.474 7.964 1.00 0.00 H new ATOM 0 HG22 THR A 17 1.207 2.709 9.395 1.00 0.00 H new ATOM 0 HG23 THR A 17 2.376 1.806 8.403 1.00 0.00 H new ATOM 273 N THR A 18 -2.559 1.181 7.650 1.00 0.00 N ATOM 274 CA THR A 18 -3.902 0.934 7.135 1.00 0.00 C ATOM 275 C THR A 18 -4.623 2.271 7.019 1.00 0.00 C ATOM 276 O THR A 18 -4.408 3.168 7.836 1.00 0.00 O ATOM 277 CB THR A 18 -4.647 -0.089 8.019 1.00 0.00 C ATOM 278 OG1 THR A 18 -5.953 -0.320 7.534 1.00 0.00 O ATOM 279 CG2 THR A 18 -4.728 0.278 9.502 1.00 0.00 C ATOM 0 H THR A 18 -2.465 2.069 8.143 1.00 0.00 H new ATOM 0 HA THR A 18 -3.860 0.485 6.143 1.00 0.00 H new ATOM 0 HB THR A 18 -4.041 -0.993 7.954 1.00 0.00 H new ATOM 0 HG1 THR A 18 -6.405 -0.973 8.109 1.00 0.00 H new ATOM 0 HG21 THR A 18 -5.269 -0.500 10.040 1.00 0.00 H new ATOM 0 HG22 THR A 18 -3.721 0.369 9.910 1.00 0.00 H new ATOM 0 HG23 THR A 18 -5.252 1.227 9.614 1.00 0.00 H new ATOM 287 N THR A 19 -5.347 2.474 5.923 1.00 0.00 N ATOM 288 CA THR A 19 -6.133 3.663 5.631 1.00 0.00 C ATOM 289 C THR A 19 -7.339 3.223 4.801 1.00 0.00 C ATOM 290 O THR A 19 -7.216 2.301 3.989 1.00 0.00 O ATOM 291 CB THR A 19 -5.269 4.746 4.973 1.00 0.00 C ATOM 292 OG1 THR A 19 -4.146 4.993 5.801 1.00 0.00 O ATOM 293 CG2 THR A 19 -6.004 6.075 4.788 1.00 0.00 C ATOM 0 H THR A 19 -5.403 1.778 5.179 1.00 0.00 H new ATOM 0 HA THR A 19 -6.504 4.134 6.541 1.00 0.00 H new ATOM 0 HB THR A 19 -4.991 4.374 3.987 1.00 0.00 H new ATOM 0 HG1 THR A 19 -3.583 5.683 5.392 1.00 0.00 H new ATOM 0 HG21 THR A 19 -5.337 6.797 4.318 1.00 0.00 H new ATOM 0 HG22 THR A 19 -6.878 5.922 4.155 1.00 0.00 H new ATOM 0 HG23 THR A 19 -6.322 6.453 5.760 1.00 0.00 H new ATOM 301 N GLU A 20 -8.519 3.771 5.068 1.00 0.00 N ATOM 302 CA GLU A 20 -9.721 3.445 4.317 1.00 0.00 C ATOM 303 C GLU A 20 -9.878 4.425 3.148 1.00 0.00 C ATOM 304 O GLU A 20 -9.492 5.595 3.239 1.00 0.00 O ATOM 305 CB GLU A 20 -10.934 3.389 5.258 1.00 0.00 C ATOM 306 CG GLU A 20 -11.104 4.645 6.132 1.00 0.00 C ATOM 307 CD GLU A 20 -12.331 4.531 7.037 1.00 0.00 C ATOM 308 OE1 GLU A 20 -12.446 3.532 7.787 1.00 0.00 O ATOM 309 OE2 GLU A 20 -13.198 5.434 6.991 1.00 0.00 O ATOM 0 H GLU A 20 -8.667 4.453 5.811 1.00 0.00 H new ATOM 0 HA GLU A 20 -9.642 2.451 3.876 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -11.836 3.247 4.663 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -10.839 2.518 5.906 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -10.212 4.790 6.742 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -11.200 5.524 5.494 1.00 0.00 H new ATOM 316 N ALA A 21 -10.414 3.936 2.029 1.00 0.00 N ATOM 317 CA ALA A 21 -10.655 4.717 0.827 1.00 0.00 C ATOM 318 C ALA A 21 -11.761 4.054 0.018 1.00 0.00 C ATOM 319 O ALA A 21 -11.873 2.828 0.015 1.00 0.00 O ATOM 320 CB ALA A 21 -9.379 4.804 -0.019 1.00 0.00 C ATOM 0 H ALA A 21 -10.698 2.961 1.937 1.00 0.00 H new ATOM 0 HA ALA A 21 -10.954 5.726 1.109 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -9.576 5.392 -0.915 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -8.589 5.281 0.562 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -9.063 3.801 -0.305 1.00 0.00 H new ATOM 326 N VAL A 22 -12.530 4.858 -0.713 1.00 0.00 N ATOM 327 CA VAL A 22 -13.627 4.407 -1.556 1.00 0.00 C ATOM 328 C VAL A 22 -13.134 3.513 -2.700 1.00 0.00 C ATOM 329 O VAL A 22 -13.905 2.684 -3.185 1.00 0.00 O ATOM 330 CB VAL A 22 -14.426 5.634 -2.054 1.00 0.00 C ATOM 331 CG1 VAL A 22 -13.614 6.544 -2.989 1.00 0.00 C ATOM 332 CG2 VAL A 22 -15.747 5.236 -2.725 1.00 0.00 C ATOM 0 H VAL A 22 -12.401 5.870 -0.733 1.00 0.00 H new ATOM 0 HA VAL A 22 -14.299 3.781 -0.968 1.00 0.00 H new ATOM 0 HB VAL A 22 -14.655 6.206 -1.155 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -14.231 7.386 -3.303 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -12.735 6.915 -2.462 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -13.300 5.977 -3.866 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -16.271 6.132 -3.057 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -15.541 4.597 -3.584 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -16.369 4.696 -2.012 1.00 0.00 H new ATOM 342 N ASP A 23 -11.871 3.631 -3.127 1.00 0.00 N ATOM 343 CA ASP A 23 -11.362 2.814 -4.221 1.00 0.00 C ATOM 344 C ASP A 23 -9.864 2.595 -4.089 1.00 0.00 C ATOM 345 O ASP A 23 -9.166 3.406 -3.467 1.00 0.00 O ATOM 346 CB ASP A 23 -11.671 3.508 -5.565 1.00 0.00 C ATOM 347 CG ASP A 23 -12.218 2.534 -6.611 1.00 0.00 C ATOM 348 OD1 ASP A 23 -12.127 1.292 -6.455 1.00 0.00 O ATOM 349 OD2 ASP A 23 -12.839 3.028 -7.577 1.00 0.00 O ATOM 0 H ASP A 23 -11.192 4.281 -2.731 1.00 0.00 H new ATOM 0 HA ASP A 23 -11.852 1.841 -4.184 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -12.395 4.306 -5.401 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -10.763 3.975 -5.947 1.00 0.00 H new ATOM 354 N ALA A 24 -9.362 1.534 -4.725 1.00 0.00 N ATOM 355 CA ALA A 24 -7.949 1.178 -4.692 1.00 0.00 C ATOM 356 C ALA A 24 -7.074 2.264 -5.320 1.00 0.00 C ATOM 357 O ALA A 24 -5.997 2.521 -4.792 1.00 0.00 O ATOM 358 CB ALA A 24 -7.715 -0.175 -5.368 1.00 0.00 C ATOM 0 H ALA A 24 -9.932 0.896 -5.280 1.00 0.00 H new ATOM 0 HA ALA A 24 -7.657 1.094 -3.645 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -6.654 -0.421 -5.332 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -8.284 -0.945 -4.847 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -8.040 -0.124 -6.407 1.00 0.00 H new ATOM 364 N ALA A 25 -7.536 2.940 -6.378 1.00 0.00 N ATOM 365 CA ALA A 25 -6.779 4.001 -7.042 1.00 0.00 C ATOM 366 C ALA A 25 -6.438 5.125 -6.053 1.00 0.00 C ATOM 367 O ALA A 25 -5.315 5.637 -6.025 1.00 0.00 O ATOM 368 CB ALA A 25 -7.583 4.539 -8.233 1.00 0.00 C ATOM 0 H ALA A 25 -8.449 2.764 -6.797 1.00 0.00 H new ATOM 0 HA ALA A 25 -5.839 3.591 -7.411 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -7.017 5.329 -8.726 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -7.770 3.731 -8.940 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -8.533 4.939 -7.879 1.00 0.00 H new ATOM 374 N THR A 26 -7.412 5.512 -5.229 1.00 0.00 N ATOM 375 CA THR A 26 -7.238 6.552 -4.229 1.00 0.00 C ATOM 376 C THR A 26 -6.300 6.030 -3.148 1.00 0.00 C ATOM 377 O THR A 26 -5.355 6.731 -2.785 1.00 0.00 O ATOM 378 CB THR A 26 -8.617 6.972 -3.699 1.00 0.00 C ATOM 379 OG1 THR A 26 -9.398 7.361 -4.817 1.00 0.00 O ATOM 380 CG2 THR A 26 -8.527 8.127 -2.700 1.00 0.00 C ATOM 0 H THR A 26 -8.348 5.107 -5.241 1.00 0.00 H new ATOM 0 HA THR A 26 -6.779 7.448 -4.647 1.00 0.00 H new ATOM 0 HB THR A 26 -9.067 6.134 -3.167 1.00 0.00 H new ATOM 0 HG1 THR A 26 -10.289 7.635 -4.514 1.00 0.00 H new ATOM 0 HG21 THR A 26 -9.527 8.388 -2.354 1.00 0.00 H new ATOM 0 HG22 THR A 26 -7.916 7.825 -1.849 1.00 0.00 H new ATOM 0 HG23 THR A 26 -8.074 8.992 -3.184 1.00 0.00 H new ATOM 388 N ALA A 27 -6.527 4.802 -2.659 1.00 0.00 N ATOM 389 CA ALA A 27 -5.679 4.211 -1.635 1.00 0.00 C ATOM 390 C ALA A 27 -4.221 4.238 -2.099 1.00 0.00 C ATOM 391 O ALA A 27 -3.349 4.675 -1.348 1.00 0.00 O ATOM 392 CB ALA A 27 -6.129 2.781 -1.311 1.00 0.00 C ATOM 0 H ALA A 27 -7.295 4.204 -2.963 1.00 0.00 H new ATOM 0 HA ALA A 27 -5.767 4.796 -0.720 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -5.480 2.360 -0.543 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -7.157 2.796 -0.949 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -6.070 2.168 -2.211 1.00 0.00 H new ATOM 398 N GLU A 28 -3.984 3.829 -3.350 1.00 0.00 N ATOM 399 CA GLU A 28 -2.688 3.767 -3.999 1.00 0.00 C ATOM 400 C GLU A 28 -2.023 5.141 -4.013 1.00 0.00 C ATOM 401 O GLU A 28 -0.918 5.273 -3.484 1.00 0.00 O ATOM 402 CB GLU A 28 -2.886 3.219 -5.432 1.00 0.00 C ATOM 403 CG GLU A 28 -1.596 3.073 -6.249 1.00 0.00 C ATOM 404 CD GLU A 28 -1.865 2.865 -7.744 1.00 0.00 C ATOM 405 OE1 GLU A 28 -2.068 3.886 -8.451 1.00 0.00 O ATOM 406 OE2 GLU A 28 -1.797 1.712 -8.222 1.00 0.00 O ATOM 0 H GLU A 28 -4.738 3.517 -3.962 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.025 3.101 -3.447 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -3.372 2.245 -5.370 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -3.566 3.881 -5.968 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -0.982 3.964 -6.115 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -1.021 2.230 -5.866 1.00 0.00 H new ATOM 413 N LYS A 29 -2.673 6.187 -4.544 1.00 0.00 N ATOM 414 CA LYS A 29 -2.038 7.510 -4.586 1.00 0.00 C ATOM 415 C LYS A 29 -1.758 8.066 -3.190 1.00 0.00 C ATOM 416 O LYS A 29 -0.730 8.715 -2.992 1.00 0.00 O ATOM 417 CB LYS A 29 -2.827 8.494 -5.463 1.00 0.00 C ATOM 418 CG LYS A 29 -1.956 9.733 -5.757 1.00 0.00 C ATOM 419 CD LYS A 29 -2.430 10.553 -6.958 1.00 0.00 C ATOM 420 CE LYS A 29 -3.813 11.163 -6.721 1.00 0.00 C ATOM 421 NZ LYS A 29 -4.249 11.946 -7.890 1.00 0.00 N ATOM 0 H LYS A 29 -3.612 6.146 -4.940 1.00 0.00 H new ATOM 0 HA LYS A 29 -1.065 7.378 -5.059 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -3.120 8.012 -6.396 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -3.745 8.793 -4.957 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -1.943 10.373 -4.875 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -0.930 9.410 -5.932 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -1.712 11.348 -7.161 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -2.460 9.917 -7.843 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -4.534 10.371 -6.519 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -3.786 11.803 -5.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -5.190 12.350 -7.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -3.570 12.714 -8.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -4.295 11.327 -8.725 1.00 0.00 H new ATOM 435 N VAL A 30 -2.637 7.832 -2.219 1.00 0.00 N ATOM 436 CA VAL A 30 -2.438 8.307 -0.856 1.00 0.00 C ATOM 437 C VAL A 30 -1.196 7.599 -0.294 1.00 0.00 C ATOM 438 O VAL A 30 -0.219 8.248 0.083 1.00 0.00 O ATOM 439 CB VAL A 30 -3.732 8.057 -0.050 1.00 0.00 C ATOM 440 CG1 VAL A 30 -3.546 8.230 1.462 1.00 0.00 C ATOM 441 CG2 VAL A 30 -4.842 9.019 -0.509 1.00 0.00 C ATOM 0 H VAL A 30 -3.503 7.310 -2.355 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.251 9.379 -0.802 1.00 0.00 H new ATOM 0 HB VAL A 30 -4.006 7.020 -0.242 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -4.492 8.040 1.969 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -2.795 7.525 1.819 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -3.218 9.248 1.674 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -5.748 8.831 0.068 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -4.519 10.048 -0.353 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -5.047 8.860 -1.568 1.00 0.00 H new ATOM 451 N PHE A 31 -1.186 6.264 -0.304 1.00 0.00 N ATOM 452 CA PHE A 31 -0.087 5.456 0.207 1.00 0.00 C ATOM 453 C PHE A 31 1.236 5.679 -0.521 1.00 0.00 C ATOM 454 O PHE A 31 2.301 5.463 0.066 1.00 0.00 O ATOM 455 CB PHE A 31 -0.484 3.979 0.151 1.00 0.00 C ATOM 456 CG PHE A 31 -1.529 3.541 1.165 1.00 0.00 C ATOM 457 CD1 PHE A 31 -1.445 3.949 2.513 1.00 0.00 C ATOM 458 CD2 PHE A 31 -2.539 2.640 0.780 1.00 0.00 C ATOM 459 CE1 PHE A 31 -2.336 3.431 3.465 1.00 0.00 C ATOM 460 CE2 PHE A 31 -3.437 2.129 1.728 1.00 0.00 C ATOM 461 CZ PHE A 31 -3.326 2.520 3.069 1.00 0.00 C ATOM 0 H PHE A 31 -1.957 5.709 -0.675 1.00 0.00 H new ATOM 0 HA PHE A 31 0.088 5.771 1.236 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -0.859 3.760 -0.849 1.00 0.00 H new ATOM 0 HB3 PHE A 31 0.412 3.375 0.295 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -0.692 4.663 2.813 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -2.623 2.340 -0.254 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -2.260 3.733 4.499 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -4.210 1.438 1.426 1.00 0.00 H new ATOM 0 HZ PHE A 31 -4.008 2.117 3.803 1.00 0.00 H new ATOM 471 N LYS A 32 1.203 6.150 -1.769 1.00 0.00 N ATOM 472 CA LYS A 32 2.409 6.411 -2.544 1.00 0.00 C ATOM 473 C LYS A 32 3.331 7.382 -1.807 1.00 0.00 C ATOM 474 O LYS A 32 4.547 7.305 -1.972 1.00 0.00 O ATOM 475 CB LYS A 32 2.006 6.937 -3.927 1.00 0.00 C ATOM 476 CG LYS A 32 3.148 6.813 -4.938 1.00 0.00 C ATOM 477 CD LYS A 32 2.635 6.872 -6.385 1.00 0.00 C ATOM 478 CE LYS A 32 2.039 5.519 -6.778 1.00 0.00 C ATOM 479 NZ LYS A 32 1.458 5.493 -8.131 1.00 0.00 N ATOM 0 H LYS A 32 0.338 6.360 -2.267 1.00 0.00 H new ATOM 0 HA LYS A 32 2.972 5.487 -2.674 1.00 0.00 H new ATOM 0 HB2 LYS A 32 1.139 6.383 -4.288 1.00 0.00 H new ATOM 0 HB3 LYS A 32 1.705 7.981 -3.845 1.00 0.00 H new ATOM 0 HG2 LYS A 32 3.868 7.615 -4.774 1.00 0.00 H new ATOM 0 HG3 LYS A 32 3.676 5.873 -4.777 1.00 0.00 H new ATOM 0 HD2 LYS A 32 1.882 7.654 -6.482 1.00 0.00 H new ATOM 0 HD3 LYS A 32 3.451 7.130 -7.060 1.00 0.00 H new ATOM 0 HE2 LYS A 32 2.816 4.758 -6.712 1.00 0.00 H new ATOM 0 HE3 LYS A 32 1.267 5.250 -6.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 1.075 4.546 -8.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 0.694 6.196 -8.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 2.195 5.719 -8.830 1.00 0.00 H new ATOM 493 N GLN A 33 2.766 8.282 -0.992 1.00 0.00 N ATOM 494 CA GLN A 33 3.535 9.251 -0.230 1.00 0.00 C ATOM 495 C GLN A 33 4.445 8.533 0.764 1.00 0.00 C ATOM 496 O GLN A 33 5.660 8.638 0.643 1.00 0.00 O ATOM 497 CB GLN A 33 2.589 10.203 0.518 1.00 0.00 C ATOM 498 CG GLN A 33 1.741 11.047 -0.441 1.00 0.00 C ATOM 499 CD GLN A 33 0.906 12.100 0.278 1.00 0.00 C ATOM 500 OE1 GLN A 33 -0.309 12.170 0.091 1.00 0.00 O ATOM 501 NE2 GLN A 33 1.522 12.952 1.085 1.00 0.00 N ATOM 0 H GLN A 33 1.759 8.352 -0.848 1.00 0.00 H new ATOM 0 HA GLN A 33 4.150 9.831 -0.918 1.00 0.00 H new ATOM 0 HB2 GLN A 33 1.932 9.624 1.168 1.00 0.00 H new ATOM 0 HB3 GLN A 33 3.173 10.862 1.161 1.00 0.00 H new ATOM 0 HG2 GLN A 33 2.396 11.539 -1.161 1.00 0.00 H new ATOM 0 HG3 GLN A 33 1.080 10.391 -1.008 1.00 0.00 H new ATOM 0 HE21 GLN A 33 2.529 12.881 1.229 1.00 0.00 H new ATOM 0 HE22 GLN A 33 0.989 13.679 1.562 1.00 0.00 H new ATOM 510 N TYR A 34 3.875 7.729 1.670 1.00 0.00 N ATOM 511 CA TYR A 34 4.638 7.001 2.681 1.00 0.00 C ATOM 512 C TYR A 34 5.667 6.057 2.055 1.00 0.00 C ATOM 513 O TYR A 34 6.732 5.864 2.630 1.00 0.00 O ATOM 514 CB TYR A 34 3.670 6.266 3.634 1.00 0.00 C ATOM 515 CG TYR A 34 4.290 5.301 4.641 1.00 0.00 C ATOM 516 CD1 TYR A 34 5.422 5.686 5.385 1.00 0.00 C ATOM 517 CD2 TYR A 34 3.735 4.019 4.850 1.00 0.00 C ATOM 518 CE1 TYR A 34 6.010 4.797 6.297 1.00 0.00 C ATOM 519 CE2 TYR A 34 4.299 3.136 5.794 1.00 0.00 C ATOM 520 CZ TYR A 34 5.445 3.526 6.525 1.00 0.00 C ATOM 521 OH TYR A 34 6.042 2.692 7.425 1.00 0.00 O ATOM 0 H TYR A 34 2.869 7.567 1.719 1.00 0.00 H new ATOM 0 HA TYR A 34 5.214 7.719 3.266 1.00 0.00 H new ATOM 0 HB2 TYR A 34 3.104 7.016 4.187 1.00 0.00 H new ATOM 0 HB3 TYR A 34 2.955 5.710 3.028 1.00 0.00 H new ATOM 0 HD1 TYR A 34 5.840 6.673 5.252 1.00 0.00 H new ATOM 0 HD2 TYR A 34 2.870 3.712 4.281 1.00 0.00 H new ATOM 0 HE1 TYR A 34 6.903 5.089 6.829 1.00 0.00 H new ATOM 0 HE2 TYR A 34 3.857 2.164 5.958 1.00 0.00 H new ATOM 0 HH TYR A 34 5.539 1.852 7.476 1.00 0.00 H new ATOM 531 N ALA A 35 5.382 5.475 0.886 1.00 0.00 N ATOM 532 CA ALA A 35 6.318 4.559 0.251 1.00 0.00 C ATOM 533 C ALA A 35 7.569 5.312 -0.192 1.00 0.00 C ATOM 534 O ALA A 35 8.672 4.982 0.249 1.00 0.00 O ATOM 535 CB ALA A 35 5.631 3.860 -0.920 1.00 0.00 C ATOM 0 H ALA A 35 4.516 5.624 0.368 1.00 0.00 H new ATOM 0 HA ALA A 35 6.631 3.796 0.963 1.00 0.00 H new ATOM 0 HB1 ALA A 35 6.332 3.174 -1.396 1.00 0.00 H new ATOM 0 HB2 ALA A 35 4.768 3.303 -0.556 1.00 0.00 H new ATOM 0 HB3 ALA A 35 5.302 4.604 -1.646 1.00 0.00 H new ATOM 541 N ASN A 36 7.411 6.375 -0.991 1.00 0.00 N ATOM 542 CA ASN A 36 8.585 7.115 -1.436 1.00 0.00 C ATOM 543 C ASN A 36 9.263 7.833 -0.271 1.00 0.00 C ATOM 544 O ASN A 36 10.483 7.992 -0.262 1.00 0.00 O ATOM 545 CB ASN A 36 8.268 8.095 -2.572 1.00 0.00 C ATOM 546 CG ASN A 36 9.575 8.562 -3.208 1.00 0.00 C ATOM 547 OD1 ASN A 36 10.448 7.747 -3.489 1.00 0.00 O ATOM 548 ND2 ASN A 36 9.750 9.847 -3.461 1.00 0.00 N ATOM 0 H ASN A 36 6.515 6.727 -1.329 1.00 0.00 H new ATOM 0 HA ASN A 36 9.281 6.378 -1.837 1.00 0.00 H new ATOM 0 HB2 ASN A 36 7.637 7.613 -3.319 1.00 0.00 H new ATOM 0 HB3 ASN A 36 7.711 8.949 -2.187 1.00 0.00 H new ATOM 0 HD21 ASN A 36 10.616 10.168 -3.893 1.00 0.00 H new ATOM 0 HD22 ASN A 36 9.019 10.518 -3.224 1.00 0.00 H new ATOM 555 N ASP A 37 8.484 8.236 0.733 1.00 0.00 N ATOM 556 CA ASP A 37 8.982 8.921 1.916 1.00 0.00 C ATOM 557 C ASP A 37 9.820 8.007 2.807 1.00 0.00 C ATOM 558 O ASP A 37 10.688 8.513 3.518 1.00 0.00 O ATOM 559 CB ASP A 37 7.821 9.487 2.736 1.00 0.00 C ATOM 560 CG ASP A 37 8.323 10.455 3.798 1.00 0.00 C ATOM 561 OD1 ASP A 37 8.810 11.541 3.406 1.00 0.00 O ATOM 562 OD2 ASP A 37 8.162 10.190 5.015 1.00 0.00 O ATOM 0 H ASP A 37 7.474 8.091 0.743 1.00 0.00 H new ATOM 0 HA ASP A 37 9.621 9.730 1.562 1.00 0.00 H new ATOM 0 HB2 ASP A 37 7.120 9.998 2.076 1.00 0.00 H new ATOM 0 HB3 ASP A 37 7.275 8.672 3.211 1.00 0.00 H new ATOM 567 N ASN A 38 9.592 6.687 2.759 1.00 0.00 N ATOM 568 CA ASN A 38 10.309 5.707 3.574 1.00 0.00 C ATOM 569 C ASN A 38 11.405 4.960 2.800 1.00 0.00 C ATOM 570 O ASN A 38 12.280 4.353 3.426 1.00 0.00 O ATOM 571 CB ASN A 38 9.299 4.756 4.242 1.00 0.00 C ATOM 572 CG ASN A 38 9.819 4.129 5.530 1.00 0.00 C ATOM 573 OD1 ASN A 38 10.890 4.464 6.032 1.00 0.00 O ATOM 574 ND2 ASN A 38 9.051 3.240 6.138 1.00 0.00 N ATOM 0 H ASN A 38 8.894 6.269 2.144 1.00 0.00 H new ATOM 0 HA ASN A 38 10.847 6.246 4.354 1.00 0.00 H new ATOM 0 HB2 ASN A 38 8.382 5.305 4.458 1.00 0.00 H new ATOM 0 HB3 ASN A 38 9.038 3.964 3.540 1.00 0.00 H new ATOM 0 HD21 ASN A 38 9.347 2.832 7.024 1.00 0.00 H new ATOM 0 HD22 ASN A 38 8.163 2.963 5.720 1.00 0.00 H new ATOM 581 N GLY A 39 11.407 5.028 1.463 1.00 0.00 N ATOM 582 CA GLY A 39 12.415 4.385 0.616 1.00 0.00 C ATOM 583 C GLY A 39 11.955 3.112 -0.088 1.00 0.00 C ATOM 584 O GLY A 39 12.766 2.204 -0.279 1.00 0.00 O ATOM 0 H GLY A 39 10.699 5.538 0.934 1.00 0.00 H new ATOM 0 HA2 GLY A 39 12.742 5.100 -0.138 1.00 0.00 H new ATOM 0 HA3 GLY A 39 13.284 4.148 1.229 1.00 0.00 H new ATOM 588 N VAL A 40 10.669 3.009 -0.430 1.00 0.00 N ATOM 589 CA VAL A 40 10.104 1.854 -1.113 1.00 0.00 C ATOM 590 C VAL A 40 9.342 2.302 -2.358 1.00 0.00 C ATOM 591 O VAL A 40 8.647 3.321 -2.334 1.00 0.00 O ATOM 592 CB VAL A 40 9.178 1.065 -0.154 1.00 0.00 C ATOM 593 CG1 VAL A 40 8.598 -0.203 -0.804 1.00 0.00 C ATOM 594 CG2 VAL A 40 9.908 0.656 1.133 1.00 0.00 C ATOM 0 H VAL A 40 9.984 3.739 -0.235 1.00 0.00 H new ATOM 0 HA VAL A 40 10.914 1.194 -1.425 1.00 0.00 H new ATOM 0 HB VAL A 40 8.362 1.747 0.084 1.00 0.00 H new ATOM 0 HG11 VAL A 40 7.957 -0.718 -0.089 1.00 0.00 H new ATOM 0 HG12 VAL A 40 8.014 0.073 -1.682 1.00 0.00 H new ATOM 0 HG13 VAL A 40 9.412 -0.864 -1.103 1.00 0.00 H new ATOM 0 HG21 VAL A 40 9.225 0.105 1.779 1.00 0.00 H new ATOM 0 HG22 VAL A 40 10.760 0.024 0.883 1.00 0.00 H new ATOM 0 HG23 VAL A 40 10.258 1.548 1.652 1.00 0.00 H new ATOM 604 N ASP A 41 9.474 1.547 -3.445 1.00 0.00 N ATOM 605 CA ASP A 41 8.797 1.719 -4.721 1.00 0.00 C ATOM 606 C ASP A 41 9.057 0.436 -5.509 1.00 0.00 C ATOM 607 O ASP A 41 10.140 0.241 -6.069 1.00 0.00 O ATOM 608 CB ASP A 41 9.212 2.966 -5.496 1.00 0.00 C ATOM 609 CG ASP A 41 8.421 3.045 -6.801 1.00 0.00 C ATOM 610 OD1 ASP A 41 7.217 2.685 -6.814 1.00 0.00 O ATOM 611 OD2 ASP A 41 8.992 3.539 -7.796 1.00 0.00 O ATOM 0 H ASP A 41 10.102 0.743 -3.455 1.00 0.00 H new ATOM 0 HA ASP A 41 7.733 1.884 -4.549 1.00 0.00 H new ATOM 0 HB2 ASP A 41 9.031 3.857 -4.895 1.00 0.00 H new ATOM 0 HB3 ASP A 41 10.281 2.936 -5.708 1.00 0.00 H new ATOM 616 N GLY A 42 8.080 -0.466 -5.485 1.00 0.00 N ATOM 617 CA GLY A 42 8.088 -1.763 -6.144 1.00 0.00 C ATOM 618 C GLY A 42 6.739 -1.995 -6.810 1.00 0.00 C ATOM 619 O GLY A 42 5.977 -1.046 -7.005 1.00 0.00 O ATOM 0 H GLY A 42 7.213 -0.299 -4.975 1.00 0.00 H new ATOM 0 HA2 GLY A 42 8.885 -1.802 -6.887 1.00 0.00 H new ATOM 0 HA3 GLY A 42 8.289 -2.551 -5.419 1.00 0.00 H new ATOM 623 N GLU A 43 6.450 -3.229 -7.210 1.00 0.00 N ATOM 624 CA GLU A 43 5.181 -3.541 -7.851 1.00 0.00 C ATOM 625 C GLU A 43 4.063 -3.446 -6.805 1.00 0.00 C ATOM 626 O GLU A 43 4.156 -4.079 -5.749 1.00 0.00 O ATOM 627 CB GLU A 43 5.257 -4.909 -8.529 1.00 0.00 C ATOM 628 CG GLU A 43 4.091 -5.100 -9.504 1.00 0.00 C ATOM 629 CD GLU A 43 4.311 -6.350 -10.351 1.00 0.00 C ATOM 630 OE1 GLU A 43 5.005 -6.261 -11.396 1.00 0.00 O ATOM 631 OE2 GLU A 43 3.820 -7.431 -9.964 1.00 0.00 O ATOM 0 H GLU A 43 7.077 -4.026 -7.101 1.00 0.00 H new ATOM 0 HA GLU A 43 4.957 -2.822 -8.639 1.00 0.00 H new ATOM 0 HB2 GLU A 43 6.202 -5.003 -9.063 1.00 0.00 H new ATOM 0 HB3 GLU A 43 5.238 -5.695 -7.774 1.00 0.00 H new ATOM 0 HG2 GLU A 43 3.156 -5.187 -8.951 1.00 0.00 H new ATOM 0 HG3 GLU A 43 4.000 -4.226 -10.149 1.00 0.00 H new ATOM 638 N TRP A 44 3.031 -2.649 -7.085 1.00 0.00 N ATOM 639 CA TRP A 44 1.887 -2.419 -6.209 1.00 0.00 C ATOM 640 C TRP A 44 0.696 -3.290 -6.626 1.00 0.00 C ATOM 641 O TRP A 44 0.228 -3.144 -7.758 1.00 0.00 O ATOM 642 CB TRP A 44 1.470 -0.938 -6.330 1.00 0.00 C ATOM 643 CG TRP A 44 2.416 0.100 -5.804 1.00 0.00 C ATOM 644 CD1 TRP A 44 3.514 0.570 -6.435 1.00 0.00 C ATOM 645 CD2 TRP A 44 2.330 0.853 -4.558 1.00 0.00 C ATOM 646 NE1 TRP A 44 4.124 1.539 -5.663 1.00 0.00 N ATOM 647 CE2 TRP A 44 3.437 1.749 -4.487 1.00 0.00 C ATOM 648 CE3 TRP A 44 1.407 0.884 -3.491 1.00 0.00 C ATOM 649 CZ2 TRP A 44 3.625 2.617 -3.402 1.00 0.00 C ATOM 650 CZ3 TRP A 44 1.590 1.744 -2.390 1.00 0.00 C ATOM 651 CH2 TRP A 44 2.695 2.609 -2.345 1.00 0.00 C ATOM 0 H TRP A 44 2.969 -2.128 -7.960 1.00 0.00 H new ATOM 0 HA TRP A 44 2.170 -2.671 -5.187 1.00 0.00 H new ATOM 0 HB2 TRP A 44 1.292 -0.725 -7.384 1.00 0.00 H new ATOM 0 HB3 TRP A 44 0.517 -0.815 -5.815 1.00 0.00 H new ATOM 0 HD1 TRP A 44 3.863 0.237 -7.401 1.00 0.00 H new ATOM 0 HE1 TRP A 44 4.974 2.036 -5.929 1.00 0.00 H new ATOM 0 HE3 TRP A 44 0.544 0.236 -3.519 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 4.474 3.284 -3.377 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 0.878 1.738 -1.578 1.00 0.00 H new ATOM 0 HH2 TRP A 44 2.831 3.268 -1.500 1.00 0.00 H new ATOM 662 N THR A 45 0.152 -4.127 -5.736 1.00 0.00 N ATOM 663 CA THR A 45 -1.008 -4.981 -6.025 1.00 0.00 C ATOM 664 C THR A 45 -1.951 -4.967 -4.815 1.00 0.00 C ATOM 665 O THR A 45 -1.494 -4.870 -3.676 1.00 0.00 O ATOM 666 CB THR A 45 -0.575 -6.415 -6.394 1.00 0.00 C ATOM 667 OG1 THR A 45 0.610 -6.427 -7.152 1.00 0.00 O ATOM 668 CG2 THR A 45 -1.647 -7.122 -7.233 1.00 0.00 C ATOM 0 H THR A 45 0.507 -4.233 -4.786 1.00 0.00 H new ATOM 0 HA THR A 45 -1.538 -4.587 -6.892 1.00 0.00 H new ATOM 0 HB THR A 45 -0.421 -6.930 -5.446 1.00 0.00 H new ATOM 0 HG1 THR A 45 0.853 -7.352 -7.365 1.00 0.00 H new ATOM 0 HG21 THR A 45 -1.312 -8.130 -7.477 1.00 0.00 H new ATOM 0 HG22 THR A 45 -2.576 -7.176 -6.666 1.00 0.00 H new ATOM 0 HG23 THR A 45 -1.816 -6.563 -8.154 1.00 0.00 H new ATOM 676 N TYR A 46 -3.267 -5.071 -5.033 1.00 0.00 N ATOM 677 CA TYR A 46 -4.289 -5.068 -3.985 1.00 0.00 C ATOM 678 C TYR A 46 -5.111 -6.353 -4.012 1.00 0.00 C ATOM 679 O TYR A 46 -5.229 -7.023 -5.044 1.00 0.00 O ATOM 680 CB TYR A 46 -5.166 -3.805 -4.001 1.00 0.00 C ATOM 681 CG TYR A 46 -6.285 -3.797 -5.023 1.00 0.00 C ATOM 682 CD1 TYR A 46 -7.536 -4.374 -4.716 1.00 0.00 C ATOM 683 CD2 TYR A 46 -6.063 -3.235 -6.293 1.00 0.00 C ATOM 684 CE1 TYR A 46 -8.546 -4.427 -5.694 1.00 0.00 C ATOM 685 CE2 TYR A 46 -7.062 -3.304 -7.277 1.00 0.00 C ATOM 686 CZ TYR A 46 -8.298 -3.914 -6.986 1.00 0.00 C ATOM 687 OH TYR A 46 -9.265 -3.959 -7.939 1.00 0.00 O ATOM 0 H TYR A 46 -3.659 -5.162 -5.970 1.00 0.00 H new ATOM 0 HA TYR A 46 -3.762 -5.039 -3.031 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -5.602 -3.675 -3.011 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -4.526 -2.942 -4.183 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -7.718 -4.775 -3.730 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -5.123 -2.750 -6.511 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -9.507 -4.858 -5.457 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -6.883 -2.889 -8.258 1.00 0.00 H new ATOM 0 HH TYR A 46 -8.926 -3.562 -8.768 1.00 0.00 H new ATOM 697 N ASP A 47 -5.594 -6.734 -2.838 1.00 0.00 N ATOM 698 CA ASP A 47 -6.413 -7.893 -2.554 1.00 0.00 C ATOM 699 C ASP A 47 -7.552 -7.418 -1.660 1.00 0.00 C ATOM 700 O ASP A 47 -7.376 -7.263 -0.451 1.00 0.00 O ATOM 701 CB ASP A 47 -5.589 -8.971 -1.858 1.00 0.00 C ATOM 702 CG ASP A 47 -6.488 -10.148 -1.509 1.00 0.00 C ATOM 703 OD1 ASP A 47 -6.978 -10.790 -2.462 1.00 0.00 O ATOM 704 OD2 ASP A 47 -6.696 -10.424 -0.310 1.00 0.00 O ATOM 0 H ASP A 47 -5.405 -6.193 -1.994 1.00 0.00 H new ATOM 0 HA ASP A 47 -6.802 -8.333 -3.472 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -4.777 -9.299 -2.507 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -5.132 -8.568 -0.954 1.00 0.00 H new ATOM 709 N ASP A 48 -8.699 -7.086 -2.253 1.00 0.00 N ATOM 710 CA ASP A 48 -9.859 -6.611 -1.490 1.00 0.00 C ATOM 711 C ASP A 48 -10.424 -7.720 -0.588 1.00 0.00 C ATOM 712 O ASP A 48 -11.083 -7.418 0.409 1.00 0.00 O ATOM 713 CB ASP A 48 -10.934 -6.001 -2.412 1.00 0.00 C ATOM 714 CG ASP A 48 -12.246 -6.787 -2.395 1.00 0.00 C ATOM 715 OD1 ASP A 48 -12.341 -7.780 -3.145 1.00 0.00 O ATOM 716 OD2 ASP A 48 -13.160 -6.443 -1.608 1.00 0.00 O ATOM 0 H ASP A 48 -8.852 -7.137 -3.260 1.00 0.00 H new ATOM 0 HA ASP A 48 -9.520 -5.809 -0.834 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -11.128 -4.973 -2.106 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -10.552 -5.963 -3.432 1.00 0.00 H new ATOM 721 N ALA A 49 -10.159 -8.996 -0.890 1.00 0.00 N ATOM 722 CA ALA A 49 -10.638 -10.113 -0.090 1.00 0.00 C ATOM 723 C ALA A 49 -10.082 -10.000 1.332 1.00 0.00 C ATOM 724 O ALA A 49 -10.849 -9.911 2.293 1.00 0.00 O ATOM 725 CB ALA A 49 -10.266 -11.434 -0.755 1.00 0.00 C ATOM 0 H ALA A 49 -9.605 -9.277 -1.699 1.00 0.00 H new ATOM 0 HA ALA A 49 -11.726 -10.084 -0.024 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -10.630 -12.262 -0.147 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -10.720 -11.484 -1.745 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -9.182 -11.501 -0.849 1.00 0.00 H new ATOM 731 N THR A 50 -8.760 -9.986 1.486 1.00 0.00 N ATOM 732 CA THR A 50 -8.066 -9.866 2.769 1.00 0.00 C ATOM 733 C THR A 50 -7.924 -8.382 3.149 1.00 0.00 C ATOM 734 O THR A 50 -7.525 -8.075 4.275 1.00 0.00 O ATOM 735 CB THR A 50 -6.689 -10.565 2.692 1.00 0.00 C ATOM 736 OG1 THR A 50 -6.787 -11.746 1.918 1.00 0.00 O ATOM 737 CG2 THR A 50 -6.144 -10.955 4.071 1.00 0.00 C ATOM 0 H THR A 50 -8.120 -10.060 0.696 1.00 0.00 H new ATOM 0 HA THR A 50 -8.649 -10.359 3.547 1.00 0.00 H new ATOM 0 HB THR A 50 -6.007 -9.846 2.238 1.00 0.00 H new ATOM 0 HG1 THR A 50 -6.680 -11.525 0.969 1.00 0.00 H new ATOM 0 HG21 THR A 50 -5.176 -11.442 3.955 1.00 0.00 H new ATOM 0 HG22 THR A 50 -6.030 -10.061 4.683 1.00 0.00 H new ATOM 0 HG23 THR A 50 -6.839 -11.640 4.556 1.00 0.00 H new ATOM 745 N LYS A 51 -8.336 -7.457 2.268 1.00 0.00 N ATOM 746 CA LYS A 51 -8.279 -6.004 2.437 1.00 0.00 C ATOM 747 C LYS A 51 -6.828 -5.570 2.602 1.00 0.00 C ATOM 748 O LYS A 51 -6.525 -4.743 3.459 1.00 0.00 O ATOM 749 CB LYS A 51 -9.225 -5.534 3.566 1.00 0.00 C ATOM 750 CG LYS A 51 -10.684 -5.790 3.177 1.00 0.00 C ATOM 751 CD LYS A 51 -11.653 -5.613 4.352 1.00 0.00 C ATOM 752 CE LYS A 51 -13.125 -5.793 3.935 1.00 0.00 C ATOM 753 NZ LYS A 51 -13.320 -6.864 2.933 1.00 0.00 N ATOM 0 H LYS A 51 -8.740 -7.722 1.370 1.00 0.00 H new ATOM 0 HA LYS A 51 -8.652 -5.505 1.543 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -8.990 -6.062 4.490 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -9.074 -4.472 3.758 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -10.966 -5.109 2.374 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -10.778 -6.802 2.784 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -11.409 -6.334 5.132 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -11.519 -4.621 4.783 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -13.721 -6.018 4.819 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -13.499 -4.853 3.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -14.333 -7.087 2.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -12.965 -6.544 2.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -12.800 -7.715 3.228 1.00 0.00 H new ATOM 767 N THR A 52 -5.932 -6.130 1.792 1.00 0.00 N ATOM 768 CA THR A 52 -4.507 -5.844 1.816 1.00 0.00 C ATOM 769 C THR A 52 -4.055 -5.224 0.491 1.00 0.00 C ATOM 770 O THR A 52 -4.658 -5.446 -0.559 1.00 0.00 O ATOM 771 CB THR A 52 -3.724 -7.128 2.169 1.00 0.00 C ATOM 772 OG1 THR A 52 -4.164 -8.263 1.441 1.00 0.00 O ATOM 773 CG2 THR A 52 -3.880 -7.487 3.649 1.00 0.00 C ATOM 0 H THR A 52 -6.189 -6.815 1.081 1.00 0.00 H new ATOM 0 HA THR A 52 -4.296 -5.106 2.590 1.00 0.00 H new ATOM 0 HB THR A 52 -2.689 -6.899 1.916 1.00 0.00 H new ATOM 0 HG1 THR A 52 -3.634 -9.045 1.702 1.00 0.00 H new ATOM 0 HG21 THR A 52 -3.317 -8.395 3.864 1.00 0.00 H new ATOM 0 HG22 THR A 52 -3.501 -6.670 4.263 1.00 0.00 H new ATOM 0 HG23 THR A 52 -4.934 -7.651 3.874 1.00 0.00 H new ATOM 781 N PHE A 53 -2.980 -4.451 0.542 1.00 0.00 N ATOM 782 CA PHE A 53 -2.318 -3.760 -0.546 1.00 0.00 C ATOM 783 C PHE A 53 -0.851 -4.044 -0.245 1.00 0.00 C ATOM 784 O PHE A 53 -0.414 -3.791 0.881 1.00 0.00 O ATOM 785 CB PHE A 53 -2.676 -2.262 -0.550 1.00 0.00 C ATOM 786 CG PHE A 53 -2.874 -1.651 -1.929 1.00 0.00 C ATOM 787 CD1 PHE A 53 -1.942 -1.877 -2.964 1.00 0.00 C ATOM 788 CD2 PHE A 53 -3.989 -0.823 -2.176 1.00 0.00 C ATOM 789 CE1 PHE A 53 -2.148 -1.318 -4.239 1.00 0.00 C ATOM 790 CE2 PHE A 53 -4.177 -0.242 -3.443 1.00 0.00 C ATOM 791 CZ PHE A 53 -3.264 -0.499 -4.480 1.00 0.00 C ATOM 0 H PHE A 53 -2.509 -4.278 1.430 1.00 0.00 H new ATOM 0 HA PHE A 53 -2.607 -4.087 -1.545 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -3.589 -2.121 0.028 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -1.886 -1.714 -0.036 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -1.067 -2.482 -2.777 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -4.703 -0.634 -1.388 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -1.446 -1.519 -5.035 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -5.025 0.403 -3.619 1.00 0.00 H new ATOM 0 HZ PHE A 53 -3.420 -0.069 -5.458 1.00 0.00 H new ATOM 801 N THR A 54 -0.098 -4.550 -1.213 1.00 0.00 N ATOM 802 CA THR A 54 1.298 -4.910 -1.031 1.00 0.00 C ATOM 803 C THR A 54 2.194 -4.256 -2.080 1.00 0.00 C ATOM 804 O THR A 54 1.794 -4.118 -3.238 1.00 0.00 O ATOM 805 CB THR A 54 1.446 -6.446 -1.011 1.00 0.00 C ATOM 806 OG1 THR A 54 0.354 -7.077 -0.345 1.00 0.00 O ATOM 807 CG2 THR A 54 2.736 -6.848 -0.291 1.00 0.00 C ATOM 0 H THR A 54 -0.445 -4.723 -2.156 1.00 0.00 H new ATOM 0 HA THR A 54 1.633 -4.525 -0.068 1.00 0.00 H new ATOM 0 HB THR A 54 1.467 -6.773 -2.051 1.00 0.00 H new ATOM 0 HG1 THR A 54 0.482 -8.048 -0.354 1.00 0.00 H new ATOM 0 HG21 THR A 54 2.826 -7.934 -0.285 1.00 0.00 H new ATOM 0 HG22 THR A 54 3.592 -6.416 -0.809 1.00 0.00 H new ATOM 0 HG23 THR A 54 2.710 -6.481 0.735 1.00 0.00 H new ATOM 815 N VAL A 55 3.346 -3.750 -1.638 1.00 0.00 N ATOM 816 CA VAL A 55 4.367 -3.122 -2.469 1.00 0.00 C ATOM 817 C VAL A 55 5.517 -4.113 -2.367 1.00 0.00 C ATOM 818 O VAL A 55 6.064 -4.262 -1.272 1.00 0.00 O ATOM 819 CB VAL A 55 4.759 -1.711 -1.978 1.00 0.00 C ATOM 820 CG1 VAL A 55 5.514 -0.959 -3.085 1.00 0.00 C ATOM 821 CG2 VAL A 55 3.523 -0.918 -1.561 1.00 0.00 C ATOM 0 H VAL A 55 3.601 -3.769 -0.651 1.00 0.00 H new ATOM 0 HA VAL A 55 4.035 -2.942 -3.492 1.00 0.00 H new ATOM 0 HB VAL A 55 5.408 -1.819 -1.109 1.00 0.00 H new ATOM 0 HG11 VAL A 55 5.786 0.035 -2.729 1.00 0.00 H new ATOM 0 HG12 VAL A 55 6.417 -1.510 -3.349 1.00 0.00 H new ATOM 0 HG13 VAL A 55 4.875 -0.868 -3.964 1.00 0.00 H new ATOM 0 HG21 VAL A 55 3.824 0.072 -1.219 1.00 0.00 H new ATOM 0 HG22 VAL A 55 2.850 -0.819 -2.413 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.011 -1.441 -0.753 1.00 0.00 H new ATOM 831 N THR A 56 5.850 -4.794 -3.459 1.00 0.00 N ATOM 832 CA THR A 56 6.900 -5.800 -3.486 1.00 0.00 C ATOM 833 C THR A 56 8.070 -5.363 -4.370 1.00 0.00 C ATOM 834 O THR A 56 7.934 -5.280 -5.599 1.00 0.00 O ATOM 835 CB THR A 56 6.283 -7.135 -3.953 1.00 0.00 C ATOM 836 OG1 THR A 56 5.120 -7.471 -3.217 1.00 0.00 O ATOM 837 CG2 THR A 56 7.241 -8.312 -3.803 1.00 0.00 C ATOM 0 H THR A 56 5.391 -4.659 -4.360 1.00 0.00 H new ATOM 0 HA THR A 56 7.314 -5.930 -2.486 1.00 0.00 H new ATOM 0 HB THR A 56 6.046 -6.971 -5.004 1.00 0.00 H new ATOM 0 HG1 THR A 56 4.760 -8.321 -3.545 1.00 0.00 H new ATOM 0 HG21 THR A 56 6.753 -9.224 -4.147 1.00 0.00 H new ATOM 0 HG22 THR A 56 8.135 -8.132 -4.400 1.00 0.00 H new ATOM 0 HG23 THR A 56 7.520 -8.423 -2.755 1.00 0.00 H new ATOM 845 N GLU A 57 9.198 -5.011 -3.745 1.00 0.00 N ATOM 846 CA GLU A 57 10.425 -4.624 -4.447 1.00 0.00 C ATOM 847 C GLU A 57 11.207 -5.915 -4.709 1.00 0.00 C ATOM 848 O GLU A 57 10.573 -6.982 -4.884 1.00 0.00 O ATOM 849 CB GLU A 57 11.239 -3.603 -3.625 1.00 0.00 C ATOM 850 CG GLU A 57 10.569 -2.221 -3.562 1.00 0.00 C ATOM 851 CD GLU A 57 11.440 -1.154 -2.880 1.00 0.00 C ATOM 852 OE1 GLU A 57 11.831 -1.329 -1.711 1.00 0.00 O ATOM 853 OE2 GLU A 57 11.746 -0.105 -3.485 1.00 0.00 O ATOM 0 H GLU A 57 9.285 -4.987 -2.729 1.00 0.00 H new ATOM 0 HA GLU A 57 10.200 -4.125 -5.390 1.00 0.00 H new ATOM 0 HB2 GLU A 57 11.374 -3.983 -2.612 1.00 0.00 H new ATOM 0 HB3 GLU A 57 12.232 -3.501 -4.062 1.00 0.00 H new ATOM 0 HG2 GLU A 57 10.331 -1.894 -4.574 1.00 0.00 H new ATOM 0 HG3 GLU A 57 9.624 -2.307 -3.025 1.00 0.00 H new TER 860 GLU A 57