USER MOD reduce.3.24.130724 H: found=0, std=0, add=457, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 458 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 46 LYS NZ :NH3+ 150:sc= 0.463 (180deg=0) USER MOD Set 1.2: A 53 THR OG1 : rot -11:sc= 0.395 USER MOD Set 2.1: A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 2 THR OG1 : rot 40:sc= 0.161 USER MOD Single : A 3 TYR OH : rot 50:sc= -5.61! USER MOD Single : A 4 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00915) USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ -119:sc= -0.127 (180deg=-1.23) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -0.065 K(o=-0.065,f=-0.93) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 127:sc= -5.08! USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.301 USER MOD Single : A 45 TYR OH : rot 180:sc= -1.81 USER MOD Single : A 49 THR OG1 : rot -43:sc= 0.434 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 76:sc= 1.1 USER MOD ----------------------------------------------------------------- ATOM 17 N THR A 2 4.272 -10.235 -3.155 1.00 0.00 N ATOM 18 CA THR A 2 4.874 -8.961 -3.532 1.00 0.00 C ATOM 19 C THR A 2 3.905 -7.807 -3.294 1.00 0.00 C ATOM 20 O THR A 2 2.841 -7.740 -3.910 1.00 0.00 O ATOM 21 CB THR A 2 5.303 -8.992 -4.998 1.00 0.00 C ATOM 22 OG1 THR A 2 6.116 -10.121 -5.261 1.00 0.00 O ATOM 23 CG2 THR A 2 6.076 -7.761 -5.421 1.00 0.00 C ATOM 0 HA THR A 2 5.753 -8.804 -2.907 1.00 0.00 H new ATOM 0 HB THR A 2 4.375 -9.034 -5.569 1.00 0.00 H new ATOM 0 HG1 THR A 2 5.761 -10.899 -4.782 1.00 0.00 H new ATOM 0 HG21 THR A 2 6.350 -7.847 -6.472 1.00 0.00 H new ATOM 0 HG22 THR A 2 5.456 -6.876 -5.279 1.00 0.00 H new ATOM 0 HG23 THR A 2 6.979 -7.673 -4.817 1.00 0.00 H new ATOM 31 N TYR A 3 4.282 -6.901 -2.401 1.00 0.00 N ATOM 32 CA TYR A 3 3.451 -5.746 -2.083 1.00 0.00 C ATOM 33 C TYR A 3 4.045 -4.473 -2.680 1.00 0.00 C ATOM 34 O TYR A 3 5.220 -4.171 -2.474 1.00 0.00 O ATOM 35 CB TYR A 3 3.302 -5.605 -0.567 1.00 0.00 C ATOM 36 CG TYR A 3 2.043 -6.245 -0.036 1.00 0.00 C ATOM 37 CD1 TYR A 3 0.813 -5.613 -0.161 1.00 0.00 C ATOM 38 CD2 TYR A 3 2.079 -7.494 0.573 1.00 0.00 C ATOM 39 CE1 TYR A 3 -0.344 -6.206 0.304 1.00 0.00 C ATOM 40 CE2 TYR A 3 0.927 -8.094 1.038 1.00 0.00 C ATOM 41 CZ TYR A 3 -0.282 -7.446 0.902 1.00 0.00 C ATOM 42 OH TYR A 3 -1.433 -8.044 1.359 1.00 0.00 O ATOM 0 H TYR A 3 5.160 -6.944 -1.883 1.00 0.00 H new ATOM 0 HA TYR A 3 2.464 -5.899 -2.520 1.00 0.00 H new ATOM 0 HB2 TYR A 3 4.166 -6.056 -0.079 1.00 0.00 H new ATOM 0 HB3 TYR A 3 3.304 -4.547 -0.304 1.00 0.00 H new ATOM 0 HD1 TYR A 3 0.760 -4.641 -0.630 1.00 0.00 H new ATOM 0 HD2 TYR A 3 3.025 -8.003 0.684 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -1.293 -5.701 0.200 1.00 0.00 H new ATOM 0 HE2 TYR A 3 0.972 -9.066 1.506 1.00 0.00 H new ATOM 0 HH TYR A 3 -2.113 -8.026 0.654 1.00 0.00 H new ATOM 52 N LYS A 4 3.230 -3.737 -3.429 1.00 0.00 N ATOM 53 CA LYS A 4 3.680 -2.501 -4.063 1.00 0.00 C ATOM 54 C LYS A 4 2.988 -1.283 -3.457 1.00 0.00 C ATOM 55 O LYS A 4 1.782 -1.298 -3.212 1.00 0.00 O ATOM 56 CB LYS A 4 3.417 -2.552 -5.569 1.00 0.00 C ATOM 57 CG LYS A 4 4.516 -1.912 -6.404 1.00 0.00 C ATOM 58 CD LYS A 4 4.054 -0.607 -7.030 1.00 0.00 C ATOM 59 CE LYS A 4 3.625 -0.801 -8.475 1.00 0.00 C ATOM 60 NZ LYS A 4 2.328 -1.527 -8.575 1.00 0.00 N ATOM 0 H LYS A 4 2.255 -3.974 -3.612 1.00 0.00 H new ATOM 0 HA LYS A 4 4.752 -2.407 -3.887 1.00 0.00 H new ATOM 0 HB2 LYS A 4 3.301 -3.592 -5.873 1.00 0.00 H new ATOM 0 HB3 LYS A 4 2.473 -2.050 -5.781 1.00 0.00 H new ATOM 0 HG2 LYS A 4 5.389 -1.727 -5.778 1.00 0.00 H new ATOM 0 HG3 LYS A 4 4.827 -2.602 -7.188 1.00 0.00 H new ATOM 0 HD2 LYS A 4 3.222 -0.201 -6.454 1.00 0.00 H new ATOM 0 HD3 LYS A 4 4.861 0.125 -6.984 1.00 0.00 H new ATOM 0 HE2 LYS A 4 3.536 0.171 -8.961 1.00 0.00 H new ATOM 0 HE3 LYS A 4 4.395 -1.356 -9.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 2.095 -1.685 -9.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 2.405 -2.443 -8.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 1.578 -0.961 -8.130 1.00 0.00 H new ATOM 74 N LEU A 5 3.762 -0.225 -3.220 1.00 0.00 N ATOM 75 CA LEU A 5 3.224 1.005 -2.645 1.00 0.00 C ATOM 76 C LEU A 5 3.682 2.223 -3.439 1.00 0.00 C ATOM 77 O LEU A 5 4.851 2.335 -3.811 1.00 0.00 O ATOM 78 CB LEU A 5 3.655 1.146 -1.182 1.00 0.00 C ATOM 79 CG LEU A 5 3.295 2.482 -0.526 1.00 0.00 C ATOM 80 CD1 LEU A 5 1.786 2.643 -0.432 1.00 0.00 C ATOM 81 CD2 LEU A 5 3.931 2.585 0.852 1.00 0.00 C ATOM 0 H LEU A 5 4.762 -0.196 -3.417 1.00 0.00 H new ATOM 0 HA LEU A 5 2.136 0.949 -2.691 1.00 0.00 H new ATOM 0 HB2 LEU A 5 3.199 0.341 -0.606 1.00 0.00 H new ATOM 0 HB3 LEU A 5 4.735 1.009 -1.122 1.00 0.00 H new ATOM 0 HG LEU A 5 3.686 3.288 -1.148 1.00 0.00 H new ATOM 0 HD11 LEU A 5 1.551 3.598 0.037 1.00 0.00 H new ATOM 0 HD12 LEU A 5 1.354 2.613 -1.432 1.00 0.00 H new ATOM 0 HD13 LEU A 5 1.370 1.833 0.167 1.00 0.00 H new ATOM 0 HD21 LEU A 5 3.665 3.540 1.305 1.00 0.00 H new ATOM 0 HD22 LEU A 5 3.569 1.772 1.481 1.00 0.00 H new ATOM 0 HD23 LEU A 5 5.015 2.517 0.759 1.00 0.00 H new ATOM 93 N ILE A 6 2.754 3.140 -3.688 1.00 0.00 N ATOM 94 CA ILE A 6 3.060 4.356 -4.431 1.00 0.00 C ATOM 95 C ILE A 6 2.451 5.578 -3.751 1.00 0.00 C ATOM 96 O ILE A 6 1.239 5.643 -3.535 1.00 0.00 O ATOM 97 CB ILE A 6 2.540 4.276 -5.880 1.00 0.00 C ATOM 98 CG1 ILE A 6 1.089 3.795 -5.902 1.00 0.00 C ATOM 99 CG2 ILE A 6 3.424 3.354 -6.709 1.00 0.00 C ATOM 100 CD1 ILE A 6 0.478 3.777 -7.286 1.00 0.00 C ATOM 0 H ILE A 6 1.783 3.064 -3.386 1.00 0.00 H new ATOM 0 HA ILE A 6 4.145 4.454 -4.449 1.00 0.00 H new ATOM 0 HB ILE A 6 2.576 5.274 -6.318 1.00 0.00 H new ATOM 0 HG12 ILE A 6 1.041 2.791 -5.480 1.00 0.00 H new ATOM 0 HG13 ILE A 6 0.491 4.440 -5.258 1.00 0.00 H new ATOM 0 HG21 ILE A 6 3.045 3.307 -7.730 1.00 0.00 H new ATOM 0 HG22 ILE A 6 4.444 3.739 -6.718 1.00 0.00 H new ATOM 0 HG23 ILE A 6 3.417 2.355 -6.273 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -0.552 3.425 -7.225 1.00 0.00 H new ATOM 0 HD12 ILE A 6 0.493 4.784 -7.704 1.00 0.00 H new ATOM 0 HD13 ILE A 6 1.052 3.109 -7.928 1.00 0.00 H new ATOM 112 N LEU A 7 3.298 6.547 -3.412 1.00 0.00 N ATOM 113 CA LEU A 7 2.837 7.762 -2.753 1.00 0.00 C ATOM 114 C LEU A 7 3.005 8.978 -3.658 1.00 0.00 C ATOM 115 O LEU A 7 4.054 9.163 -4.274 1.00 0.00 O ATOM 116 CB LEU A 7 3.594 7.990 -1.445 1.00 0.00 C ATOM 117 CG LEU A 7 3.328 6.953 -0.348 1.00 0.00 C ATOM 118 CD1 LEU A 7 4.525 6.027 -0.188 1.00 0.00 C ATOM 119 CD2 LEU A 7 3.003 7.642 0.971 1.00 0.00 C ATOM 0 H LEU A 7 4.303 6.513 -3.583 1.00 0.00 H new ATOM 0 HA LEU A 7 1.777 7.632 -2.535 1.00 0.00 H new ATOM 0 HB2 LEU A 7 4.663 8.002 -1.660 1.00 0.00 H new ATOM 0 HB3 LEU A 7 3.335 8.977 -1.061 1.00 0.00 H new ATOM 0 HG LEU A 7 2.467 6.353 -0.642 1.00 0.00 H new ATOM 0 HD11 LEU A 7 4.318 5.297 0.595 1.00 0.00 H new ATOM 0 HD12 LEU A 7 4.711 5.508 -1.128 1.00 0.00 H new ATOM 0 HD13 LEU A 7 5.404 6.612 0.084 1.00 0.00 H new ATOM 0 HD21 LEU A 7 2.817 6.890 1.738 1.00 0.00 H new ATOM 0 HD22 LEU A 7 3.844 8.267 1.272 1.00 0.00 H new ATOM 0 HD23 LEU A 7 2.115 8.262 0.848 1.00 0.00 H new ATOM 131 N ASN A 8 1.966 9.803 -3.728 1.00 0.00 N ATOM 132 CA ASN A 8 2.003 11.003 -4.555 1.00 0.00 C ATOM 133 C ASN A 8 1.737 12.252 -3.717 1.00 0.00 C ATOM 134 O ASN A 8 0.723 12.342 -3.027 1.00 0.00 O ATOM 135 CB ASN A 8 0.978 10.906 -5.685 1.00 0.00 C ATOM 136 CG ASN A 8 1.012 9.561 -6.386 1.00 0.00 C ATOM 137 OD1 ASN A 8 2.049 9.146 -6.905 1.00 0.00 O ATOM 138 ND2 ASN A 8 -0.121 8.871 -6.401 1.00 0.00 N ATOM 0 H ASN A 8 1.090 9.663 -3.224 1.00 0.00 H new ATOM 0 HA ASN A 8 3.001 11.082 -4.987 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -0.020 11.077 -5.282 1.00 0.00 H new ATOM 0 HB3 ASN A 8 1.167 11.696 -6.412 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -0.156 7.958 -6.855 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -0.957 9.253 -5.958 1.00 0.00 H new ATOM 145 N LEU A 9 2.652 13.214 -3.788 1.00 0.00 N ATOM 146 CA LEU A 9 2.514 14.458 -3.040 1.00 0.00 C ATOM 147 C LEU A 9 2.462 15.652 -3.984 1.00 0.00 C ATOM 148 O LEU A 9 2.517 15.492 -5.204 1.00 0.00 O ATOM 149 CB LEU A 9 3.665 14.620 -2.049 1.00 0.00 C ATOM 150 CG LEU A 9 3.890 13.449 -1.099 1.00 0.00 C ATOM 151 CD1 LEU A 9 5.290 13.496 -0.504 1.00 0.00 C ATOM 152 CD2 LEU A 9 2.838 13.454 0.001 1.00 0.00 C ATOM 0 H LEU A 9 3.497 13.155 -4.356 1.00 0.00 H new ATOM 0 HA LEU A 9 1.578 14.416 -2.483 1.00 0.00 H new ATOM 0 HB2 LEU A 9 4.583 14.789 -2.612 1.00 0.00 H new ATOM 0 HB3 LEU A 9 3.485 15.516 -1.455 1.00 0.00 H new ATOM 0 HG LEU A 9 3.796 12.523 -1.666 1.00 0.00 H new ATOM 0 HD11 LEU A 9 5.427 12.651 0.170 1.00 0.00 H new ATOM 0 HD12 LEU A 9 6.028 13.445 -1.305 1.00 0.00 H new ATOM 0 HD13 LEU A 9 5.419 14.426 0.049 1.00 0.00 H new ATOM 0 HD21 LEU A 9 3.010 12.613 0.673 1.00 0.00 H new ATOM 0 HD22 LEU A 9 2.903 14.386 0.563 1.00 0.00 H new ATOM 0 HD23 LEU A 9 1.847 13.367 -0.443 1.00 0.00 H new ATOM 164 N LYS A 10 2.351 16.845 -3.414 1.00 0.00 N ATOM 165 CA LYS A 10 2.293 18.066 -4.209 1.00 0.00 C ATOM 166 C LYS A 10 3.696 18.626 -4.473 1.00 0.00 C ATOM 167 O LYS A 10 3.859 19.532 -5.285 1.00 0.00 O ATOM 168 CB LYS A 10 1.440 19.115 -3.501 1.00 0.00 C ATOM 169 CG LYS A 10 -0.004 19.147 -3.976 1.00 0.00 C ATOM 170 CD LYS A 10 -0.385 20.499 -4.555 1.00 0.00 C ATOM 171 CE LYS A 10 -0.166 20.535 -6.059 1.00 0.00 C ATOM 172 NZ LYS A 10 -1.439 20.788 -6.797 1.00 0.00 N ATOM 0 H LYS A 10 2.299 16.994 -2.406 1.00 0.00 H new ATOM 0 HA LYS A 10 1.839 17.819 -5.169 1.00 0.00 H new ATOM 0 HB2 LYS A 10 1.457 18.921 -2.428 1.00 0.00 H new ATOM 0 HB3 LYS A 10 1.886 20.098 -3.654 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -0.154 18.375 -4.730 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -0.665 18.911 -3.142 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -1.431 20.711 -4.332 1.00 0.00 H new ATOM 0 HD3 LYS A 10 0.207 21.281 -4.080 1.00 0.00 H new ATOM 0 HE2 LYS A 10 0.557 21.314 -6.303 1.00 0.00 H new ATOM 0 HE3 LYS A 10 0.263 19.588 -6.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -1.250 20.806 -7.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -2.120 20.031 -6.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -1.835 21.703 -6.502 1.00 0.00 H new ATOM 186 N GLN A 11 4.691 18.087 -3.780 1.00 0.00 N ATOM 187 CA GLN A 11 6.068 18.546 -3.946 1.00 0.00 C ATOM 188 C GLN A 11 6.919 17.490 -4.647 1.00 0.00 C ATOM 189 O GLN A 11 7.837 17.816 -5.396 1.00 0.00 O ATOM 190 CB GLN A 11 6.684 18.899 -2.589 1.00 0.00 C ATOM 191 CG GLN A 11 6.651 17.745 -1.595 1.00 0.00 C ATOM 192 CD GLN A 11 6.019 18.132 -0.268 1.00 0.00 C ATOM 193 OE1 GLN A 11 4.798 18.231 -0.154 1.00 0.00 O ATOM 194 NE2 GLN A 11 6.856 18.364 0.739 1.00 0.00 N ATOM 0 H GLN A 11 4.574 17.335 -3.101 1.00 0.00 H new ATOM 0 HA GLN A 11 6.048 19.440 -4.569 1.00 0.00 H new ATOM 0 HB2 GLN A 11 7.717 19.213 -2.737 1.00 0.00 H new ATOM 0 HB3 GLN A 11 6.150 19.750 -2.166 1.00 0.00 H new ATOM 0 HG2 GLN A 11 6.096 16.913 -2.028 1.00 0.00 H new ATOM 0 HG3 GLN A 11 7.667 17.393 -1.420 1.00 0.00 H new ATOM 0 HE21 GLN A 11 7.862 18.269 0.598 1.00 0.00 H new ATOM 0 HE22 GLN A 11 6.492 18.636 1.652 1.00 0.00 H new ATOM 203 N ALA A 12 6.608 16.219 -4.393 1.00 0.00 N ATOM 204 CA ALA A 12 7.351 15.121 -5.002 1.00 0.00 C ATOM 205 C ALA A 12 6.607 13.804 -4.856 1.00 0.00 C ATOM 206 O ALA A 12 5.938 13.565 -3.852 1.00 0.00 O ATOM 207 CB ALA A 12 8.741 15.017 -4.385 1.00 0.00 C ATOM 0 H ALA A 12 5.852 15.928 -3.774 1.00 0.00 H new ATOM 0 HA ALA A 12 7.452 15.332 -6.067 1.00 0.00 H new ATOM 0 HB1 ALA A 12 9.284 14.194 -4.849 1.00 0.00 H new ATOM 0 HB2 ALA A 12 9.283 15.948 -4.550 1.00 0.00 H new ATOM 0 HB3 ALA A 12 8.651 14.835 -3.314 1.00 0.00 H new ATOM 213 N LYS A 13 6.725 12.947 -5.868 1.00 0.00 N ATOM 214 CA LYS A 13 6.055 11.643 -5.846 1.00 0.00 C ATOM 215 C LYS A 13 7.076 10.510 -5.844 1.00 0.00 C ATOM 216 O LYS A 13 7.924 10.423 -6.734 1.00 0.00 O ATOM 217 CB LYS A 13 5.128 11.508 -7.057 1.00 0.00 C ATOM 218 CG LYS A 13 4.036 12.565 -7.108 1.00 0.00 C ATOM 219 CD LYS A 13 4.006 13.278 -8.452 1.00 0.00 C ATOM 220 CE LYS A 13 2.815 12.835 -9.289 1.00 0.00 C ATOM 221 NZ LYS A 13 3.104 12.917 -10.749 1.00 0.00 N ATOM 0 H LYS A 13 7.273 13.127 -6.709 1.00 0.00 H new ATOM 0 HA LYS A 13 5.464 11.577 -4.933 1.00 0.00 H new ATOM 0 HB2 LYS A 13 5.723 11.568 -7.968 1.00 0.00 H new ATOM 0 HB3 LYS A 13 4.666 10.521 -7.042 1.00 0.00 H new ATOM 0 HG2 LYS A 13 3.069 12.098 -6.922 1.00 0.00 H new ATOM 0 HG3 LYS A 13 4.197 13.293 -6.313 1.00 0.00 H new ATOM 0 HD2 LYS A 13 3.960 14.355 -8.293 1.00 0.00 H new ATOM 0 HD3 LYS A 13 4.929 13.075 -8.994 1.00 0.00 H new ATOM 0 HE2 LYS A 13 2.548 11.811 -9.028 1.00 0.00 H new ATOM 0 HE3 LYS A 13 1.953 13.459 -9.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 2.269 12.607 -11.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 3.334 13.899 -11.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 3.911 12.302 -10.978 1.00 0.00 H new ATOM 235 N GLU A 14 6.990 9.646 -4.841 1.00 0.00 N ATOM 236 CA GLU A 14 7.908 8.519 -4.725 1.00 0.00 C ATOM 237 C GLU A 14 7.143 7.199 -4.681 1.00 0.00 C ATOM 238 O GLU A 14 5.988 7.154 -4.258 1.00 0.00 O ATOM 239 CB GLU A 14 8.764 8.660 -3.464 1.00 0.00 C ATOM 240 CG GLU A 14 9.481 9.995 -3.366 1.00 0.00 C ATOM 241 CD GLU A 14 10.797 10.009 -4.119 1.00 0.00 C ATOM 242 OE1 GLU A 14 10.867 9.382 -5.197 1.00 0.00 O ATOM 243 OE2 GLU A 14 11.755 10.649 -3.632 1.00 0.00 O ATOM 0 H GLU A 14 6.295 9.703 -4.097 1.00 0.00 H new ATOM 0 HA GLU A 14 8.556 8.519 -5.602 1.00 0.00 H new ATOM 0 HB2 GLU A 14 8.129 8.532 -2.587 1.00 0.00 H new ATOM 0 HB3 GLU A 14 9.502 7.858 -3.443 1.00 0.00 H new ATOM 0 HG2 GLU A 14 8.834 10.780 -3.758 1.00 0.00 H new ATOM 0 HG3 GLU A 14 9.665 10.228 -2.317 1.00 0.00 H new ATOM 250 N GLU A 15 7.796 6.129 -5.120 1.00 0.00 N ATOM 251 CA GLU A 15 7.178 4.808 -5.131 1.00 0.00 C ATOM 252 C GLU A 15 8.208 3.723 -4.834 1.00 0.00 C ATOM 253 O GLU A 15 9.407 3.923 -5.024 1.00 0.00 O ATOM 254 CB GLU A 15 6.519 4.541 -6.489 1.00 0.00 C ATOM 255 CG GLU A 15 7.369 4.963 -7.671 1.00 0.00 C ATOM 256 CD GLU A 15 6.980 4.254 -8.953 1.00 0.00 C ATOM 257 OE1 GLU A 15 7.486 3.136 -9.190 1.00 0.00 O ATOM 258 OE2 GLU A 15 6.170 4.815 -9.720 1.00 0.00 O ATOM 0 H GLU A 15 8.753 6.150 -5.473 1.00 0.00 H new ATOM 0 HA GLU A 15 6.416 4.785 -4.352 1.00 0.00 H new ATOM 0 HB2 GLU A 15 6.298 3.477 -6.573 1.00 0.00 H new ATOM 0 HB3 GLU A 15 5.566 5.069 -6.531 1.00 0.00 H new ATOM 0 HG2 GLU A 15 7.277 6.040 -7.814 1.00 0.00 H new ATOM 0 HG3 GLU A 15 8.417 4.759 -7.451 1.00 0.00 H new ATOM 265 N ALA A 16 7.733 2.573 -4.364 1.00 0.00 N ATOM 266 CA ALA A 16 8.617 1.458 -4.041 1.00 0.00 C ATOM 267 C ALA A 16 7.879 0.126 -4.126 1.00 0.00 C ATOM 268 O ALA A 16 6.656 0.090 -4.270 1.00 0.00 O ATOM 269 CB ALA A 16 9.214 1.646 -2.656 1.00 0.00 C ATOM 0 H ALA A 16 6.743 2.389 -4.199 1.00 0.00 H new ATOM 0 HA ALA A 16 9.423 1.441 -4.775 1.00 0.00 H new ATOM 0 HB1 ALA A 16 9.872 0.808 -2.426 1.00 0.00 H new ATOM 0 HB2 ALA A 16 9.786 2.574 -2.629 1.00 0.00 H new ATOM 0 HB3 ALA A 16 8.413 1.692 -1.918 1.00 0.00 H new ATOM 275 N ILE A 17 8.629 -0.966 -4.032 1.00 0.00 N ATOM 276 CA ILE A 17 8.048 -2.302 -4.096 1.00 0.00 C ATOM 277 C ILE A 17 8.630 -3.204 -3.010 1.00 0.00 C ATOM 278 O ILE A 17 9.846 -3.356 -2.901 1.00 0.00 O ATOM 279 CB ILE A 17 8.286 -2.952 -5.477 1.00 0.00 C ATOM 280 CG1 ILE A 17 7.607 -4.323 -5.550 1.00 0.00 C ATOM 281 CG2 ILE A 17 9.778 -3.072 -5.758 1.00 0.00 C ATOM 282 CD1 ILE A 17 6.488 -4.390 -6.564 1.00 0.00 C ATOM 0 H ILE A 17 9.642 -0.952 -3.911 1.00 0.00 H new ATOM 0 HA ILE A 17 6.975 -2.192 -3.936 1.00 0.00 H new ATOM 0 HB ILE A 17 7.844 -2.313 -6.242 1.00 0.00 H new ATOM 0 HG12 ILE A 17 8.355 -5.077 -5.796 1.00 0.00 H new ATOM 0 HG13 ILE A 17 7.211 -4.576 -4.567 1.00 0.00 H new ATOM 0 HG21 ILE A 17 9.928 -3.532 -6.735 1.00 0.00 H new ATOM 0 HG22 ILE A 17 10.231 -2.080 -5.750 1.00 0.00 H new ATOM 0 HG23 ILE A 17 10.244 -3.690 -4.990 1.00 0.00 H new ATOM 0 HD11 ILE A 17 6.054 -5.390 -6.561 1.00 0.00 H new ATOM 0 HD12 ILE A 17 5.720 -3.660 -6.308 1.00 0.00 H new ATOM 0 HD13 ILE A 17 6.882 -4.169 -7.556 1.00 0.00 H new ATOM 294 N LYS A 18 7.751 -3.797 -2.208 1.00 0.00 N ATOM 295 CA LYS A 18 8.171 -4.681 -1.127 1.00 0.00 C ATOM 296 C LYS A 18 7.568 -6.072 -1.298 1.00 0.00 C ATOM 297 O LYS A 18 6.728 -6.288 -2.171 1.00 0.00 O ATOM 298 CB LYS A 18 7.764 -4.103 0.233 1.00 0.00 C ATOM 299 CG LYS A 18 7.832 -2.583 0.307 1.00 0.00 C ATOM 300 CD LYS A 18 9.213 -2.104 0.718 1.00 0.00 C ATOM 301 CE LYS A 18 10.210 -2.223 -0.423 1.00 0.00 C ATOM 302 NZ LYS A 18 11.491 -1.534 -0.116 1.00 0.00 N ATOM 0 H LYS A 18 6.741 -3.681 -2.287 1.00 0.00 H new ATOM 0 HA LYS A 18 9.257 -4.763 -1.166 1.00 0.00 H new ATOM 0 HB2 LYS A 18 6.747 -4.422 0.462 1.00 0.00 H new ATOM 0 HB3 LYS A 18 8.411 -4.523 1.003 1.00 0.00 H new ATOM 0 HG2 LYS A 18 7.573 -2.159 -0.663 1.00 0.00 H new ATOM 0 HG3 LYS A 18 7.093 -2.220 1.021 1.00 0.00 H new ATOM 0 HD2 LYS A 18 9.156 -1.066 1.045 1.00 0.00 H new ATOM 0 HD3 LYS A 18 9.563 -2.688 1.570 1.00 0.00 H new ATOM 0 HE2 LYS A 18 10.404 -3.276 -0.627 1.00 0.00 H new ATOM 0 HE3 LYS A 18 9.777 -1.798 -1.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 12.143 -1.639 -0.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 11.310 -0.524 0.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 11.917 -1.956 0.733 1.00 0.00 H new ATOM 316 N GLU A 19 8.001 -7.011 -0.461 1.00 0.00 N ATOM 317 CA GLU A 19 7.501 -8.381 -0.520 1.00 0.00 C ATOM 318 C GLU A 19 6.960 -8.821 0.839 1.00 0.00 C ATOM 319 O GLU A 19 7.620 -8.650 1.863 1.00 0.00 O ATOM 320 CB GLU A 19 8.609 -9.333 -0.972 1.00 0.00 C ATOM 321 CG GLU A 19 9.875 -9.233 -0.141 1.00 0.00 C ATOM 322 CD GLU A 19 10.803 -10.414 -0.346 1.00 0.00 C ATOM 323 OE1 GLU A 19 10.304 -11.554 -0.442 1.00 0.00 O ATOM 324 OE2 GLU A 19 12.032 -10.197 -0.414 1.00 0.00 O ATOM 0 H GLU A 19 8.697 -6.848 0.266 1.00 0.00 H new ATOM 0 HA GLU A 19 6.687 -8.413 -1.244 1.00 0.00 H new ATOM 0 HB2 GLU A 19 8.237 -10.356 -0.929 1.00 0.00 H new ATOM 0 HB3 GLU A 19 8.852 -9.126 -2.014 1.00 0.00 H new ATOM 0 HG2 GLU A 19 10.401 -8.314 -0.397 1.00 0.00 H new ATOM 0 HG3 GLU A 19 9.608 -9.164 0.914 1.00 0.00 H new ATOM 331 N LEU A 20 5.760 -9.392 0.838 1.00 0.00 N ATOM 332 CA LEU A 20 5.136 -9.861 2.073 1.00 0.00 C ATOM 333 C LEU A 20 4.213 -11.046 1.801 1.00 0.00 C ATOM 334 O LEU A 20 4.267 -11.651 0.731 1.00 0.00 O ATOM 335 CB LEU A 20 4.357 -8.721 2.739 1.00 0.00 C ATOM 336 CG LEU A 20 4.859 -8.315 4.124 1.00 0.00 C ATOM 337 CD1 LEU A 20 4.875 -9.511 5.063 1.00 0.00 C ATOM 338 CD2 LEU A 20 6.244 -7.694 4.025 1.00 0.00 C ATOM 0 H LEU A 20 5.200 -9.542 -0.001 1.00 0.00 H new ATOM 0 HA LEU A 20 5.924 -10.192 2.750 1.00 0.00 H new ATOM 0 HB2 LEU A 20 4.392 -7.848 2.087 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.311 -9.016 2.821 1.00 0.00 H new ATOM 0 HG LEU A 20 4.175 -7.571 4.533 1.00 0.00 H new ATOM 0 HD11 LEU A 20 5.236 -9.199 6.043 1.00 0.00 H new ATOM 0 HD12 LEU A 20 3.866 -9.912 5.158 1.00 0.00 H new ATOM 0 HD13 LEU A 20 5.535 -10.280 4.661 1.00 0.00 H new ATOM 0 HD21 LEU A 20 6.587 -7.410 5.020 1.00 0.00 H new ATOM 0 HD22 LEU A 20 6.937 -8.417 3.594 1.00 0.00 H new ATOM 0 HD23 LEU A 20 6.201 -6.809 3.390 1.00 0.00 H new ATOM 350 N VAL A 21 3.366 -11.375 2.773 1.00 0.00 N ATOM 351 CA VAL A 21 2.435 -12.488 2.629 1.00 0.00 C ATOM 352 C VAL A 21 0.997 -12.044 2.885 1.00 0.00 C ATOM 353 O VAL A 21 0.089 -12.390 2.129 1.00 0.00 O ATOM 354 CB VAL A 21 2.790 -13.642 3.585 1.00 0.00 C ATOM 355 CG1 VAL A 21 2.716 -13.176 5.026 1.00 0.00 C ATOM 356 CG2 VAL A 21 1.877 -14.839 3.351 1.00 0.00 C ATOM 0 H VAL A 21 3.306 -10.887 3.667 1.00 0.00 H new ATOM 0 HA VAL A 21 2.520 -12.841 1.601 1.00 0.00 H new ATOM 0 HB VAL A 21 3.813 -13.958 3.380 1.00 0.00 H new ATOM 0 HG11 VAL A 21 2.970 -14.003 5.689 1.00 0.00 H new ATOM 0 HG12 VAL A 21 3.420 -12.358 5.180 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.705 -12.832 5.246 1.00 0.00 H new ATOM 0 HG21 VAL A 21 2.146 -15.642 4.037 1.00 0.00 H new ATOM 0 HG22 VAL A 21 0.841 -14.546 3.524 1.00 0.00 H new ATOM 0 HG23 VAL A 21 1.989 -15.187 2.324 1.00 0.00 H new ATOM 366 N ASP A 22 0.800 -11.275 3.950 1.00 0.00 N ATOM 367 CA ASP A 22 -0.528 -10.780 4.300 1.00 0.00 C ATOM 368 C ASP A 22 -0.528 -9.256 4.368 1.00 0.00 C ATOM 369 O ASP A 22 0.429 -8.649 4.849 1.00 0.00 O ATOM 370 CB ASP A 22 -0.976 -11.365 5.643 1.00 0.00 C ATOM 371 CG ASP A 22 -1.812 -12.617 5.473 1.00 0.00 C ATOM 372 OD1 ASP A 22 -2.728 -12.610 4.623 1.00 0.00 O ATOM 373 OD2 ASP A 22 -1.553 -13.606 6.190 1.00 0.00 O ATOM 0 H ASP A 22 1.541 -10.981 4.586 1.00 0.00 H new ATOM 0 HA ASP A 22 -1.228 -11.095 3.527 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -0.099 -11.596 6.247 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -1.552 -10.617 6.189 1.00 0.00 H new ATOM 378 N ALA A 23 -1.600 -8.643 3.877 1.00 0.00 N ATOM 379 CA ALA A 23 -1.707 -7.189 3.883 1.00 0.00 C ATOM 380 C ALA A 23 -1.640 -6.635 5.295 1.00 0.00 C ATOM 381 O ALA A 23 -1.206 -5.505 5.502 1.00 0.00 O ATOM 382 CB ALA A 23 -2.986 -6.743 3.195 1.00 0.00 C ATOM 0 H ALA A 23 -2.402 -9.127 3.473 1.00 0.00 H new ATOM 0 HA ALA A 23 -0.857 -6.791 3.328 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -3.047 -5.655 3.210 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -2.984 -7.092 2.162 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -3.846 -7.162 3.718 1.00 0.00 H new ATOM 388 N ALA A 24 -2.056 -7.433 6.272 1.00 0.00 N ATOM 389 CA ALA A 24 -2.011 -7.001 7.662 1.00 0.00 C ATOM 390 C ALA A 24 -0.600 -6.551 8.010 1.00 0.00 C ATOM 391 O ALA A 24 -0.387 -5.452 8.529 1.00 0.00 O ATOM 392 CB ALA A 24 -2.459 -8.123 8.586 1.00 0.00 C ATOM 0 H ALA A 24 -2.425 -8.373 6.129 1.00 0.00 H new ATOM 0 HA ALA A 24 -2.694 -6.163 7.796 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -2.418 -7.781 9.620 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.481 -8.412 8.339 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -1.799 -8.982 8.462 1.00 0.00 H new ATOM 398 N THR A 25 0.367 -7.403 7.691 1.00 0.00 N ATOM 399 CA THR A 25 1.764 -7.093 7.941 1.00 0.00 C ATOM 400 C THR A 25 2.235 -6.018 6.976 1.00 0.00 C ATOM 401 O THR A 25 2.900 -5.062 7.380 1.00 0.00 O ATOM 402 CB THR A 25 2.630 -8.350 7.802 1.00 0.00 C ATOM 403 OG1 THR A 25 2.539 -9.154 8.964 1.00 0.00 O ATOM 404 CG2 THR A 25 4.097 -8.054 7.566 1.00 0.00 C ATOM 0 H THR A 25 0.207 -8.313 7.259 1.00 0.00 H new ATOM 0 HA THR A 25 1.863 -6.723 8.961 1.00 0.00 H new ATOM 0 HB THR A 25 2.237 -8.868 6.927 1.00 0.00 H new ATOM 0 HG1 THR A 25 3.097 -9.952 8.854 1.00 0.00 H new ATOM 0 HG21 THR A 25 4.648 -8.991 7.478 1.00 0.00 H new ATOM 0 HG22 THR A 25 4.209 -7.479 6.647 1.00 0.00 H new ATOM 0 HG23 THR A 25 4.491 -7.479 8.404 1.00 0.00 H new ATOM 412 N ALA A 26 1.876 -6.164 5.705 1.00 0.00 N ATOM 413 CA ALA A 26 2.261 -5.180 4.706 1.00 0.00 C ATOM 414 C ALA A 26 1.852 -3.797 5.186 1.00 0.00 C ATOM 415 O ALA A 26 2.660 -2.875 5.244 1.00 0.00 O ATOM 416 CB ALA A 26 1.615 -5.494 3.364 1.00 0.00 C ATOM 0 H ALA A 26 1.326 -6.945 5.347 1.00 0.00 H new ATOM 0 HA ALA A 26 3.342 -5.210 4.569 1.00 0.00 H new ATOM 0 HB1 ALA A 26 1.916 -4.746 2.631 1.00 0.00 H new ATOM 0 HB2 ALA A 26 1.935 -6.480 3.028 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.530 -5.481 3.471 1.00 0.00 H new ATOM 422 N GLU A 27 0.587 -3.683 5.562 1.00 0.00 N ATOM 423 CA GLU A 27 0.033 -2.444 6.076 1.00 0.00 C ATOM 424 C GLU A 27 0.904 -1.891 7.196 1.00 0.00 C ATOM 425 O GLU A 27 1.064 -0.681 7.331 1.00 0.00 O ATOM 426 CB GLU A 27 -1.378 -2.695 6.605 1.00 0.00 C ATOM 427 CG GLU A 27 -2.054 -1.453 7.165 1.00 0.00 C ATOM 428 CD GLU A 27 -1.881 -1.323 8.665 1.00 0.00 C ATOM 429 OE1 GLU A 27 -0.964 -1.967 9.214 1.00 0.00 O ATOM 430 OE2 GLU A 27 -2.663 -0.575 9.289 1.00 0.00 O ATOM 0 H GLU A 27 -0.084 -4.450 5.518 1.00 0.00 H new ATOM 0 HA GLU A 27 -0.000 -1.715 5.266 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -1.991 -3.099 5.800 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -1.334 -3.456 7.384 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -1.643 -0.569 6.677 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -3.117 -1.483 6.927 1.00 0.00 H new ATOM 437 N LYS A 28 1.473 -2.789 7.993 1.00 0.00 N ATOM 438 CA LYS A 28 2.337 -2.375 9.092 1.00 0.00 C ATOM 439 C LYS A 28 3.613 -1.749 8.549 1.00 0.00 C ATOM 440 O LYS A 28 4.013 -0.660 8.964 1.00 0.00 O ATOM 441 CB LYS A 28 2.677 -3.572 9.985 1.00 0.00 C ATOM 442 CG LYS A 28 1.455 -4.294 10.523 1.00 0.00 C ATOM 443 CD LYS A 28 1.187 -3.941 11.978 1.00 0.00 C ATOM 444 CE LYS A 28 1.822 -4.948 12.922 1.00 0.00 C ATOM 445 NZ LYS A 28 2.346 -4.301 14.156 1.00 0.00 N ATOM 0 H LYS A 28 1.353 -3.798 7.900 1.00 0.00 H new ATOM 0 HA LYS A 28 1.807 -1.634 9.690 1.00 0.00 H new ATOM 0 HB2 LYS A 28 3.285 -4.277 9.418 1.00 0.00 H new ATOM 0 HB3 LYS A 28 3.284 -3.229 10.823 1.00 0.00 H new ATOM 0 HG2 LYS A 28 0.585 -4.035 9.920 1.00 0.00 H new ATOM 0 HG3 LYS A 28 1.598 -5.371 10.430 1.00 0.00 H new ATOM 0 HD2 LYS A 28 1.578 -2.946 12.190 1.00 0.00 H new ATOM 0 HD3 LYS A 28 0.112 -3.905 12.153 1.00 0.00 H new ATOM 0 HE2 LYS A 28 1.086 -5.705 13.194 1.00 0.00 H new ATOM 0 HE3 LYS A 28 2.634 -5.463 12.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 2.771 -5.023 14.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 3.067 -3.597 13.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 1.567 -3.831 14.659 1.00 0.00 H new ATOM 459 N TYR A 29 4.239 -2.446 7.609 1.00 0.00 N ATOM 460 CA TYR A 29 5.467 -1.975 6.986 1.00 0.00 C ATOM 461 C TYR A 29 5.187 -0.823 6.027 1.00 0.00 C ATOM 462 O TYR A 29 5.695 0.285 6.195 1.00 0.00 O ATOM 463 CB TYR A 29 6.137 -3.122 6.231 1.00 0.00 C ATOM 464 CG TYR A 29 7.424 -2.724 5.541 1.00 0.00 C ATOM 465 CD1 TYR A 29 7.404 -1.926 4.406 1.00 0.00 C ATOM 466 CD2 TYR A 29 8.655 -3.145 6.027 1.00 0.00 C ATOM 467 CE1 TYR A 29 8.572 -1.558 3.772 1.00 0.00 C ATOM 468 CE2 TYR A 29 9.832 -2.781 5.398 1.00 0.00 C ATOM 469 CZ TYR A 29 9.784 -1.985 4.271 1.00 0.00 C ATOM 470 OH TYR A 29 10.952 -1.620 3.644 1.00 0.00 O ATOM 0 H TYR A 29 3.912 -3.347 7.260 1.00 0.00 H new ATOM 0 HA TYR A 29 6.132 -1.615 7.771 1.00 0.00 H new ATOM 0 HB2 TYR A 29 6.345 -3.933 6.929 1.00 0.00 H new ATOM 0 HB3 TYR A 29 5.442 -3.512 5.488 1.00 0.00 H new ATOM 0 HD1 TYR A 29 6.457 -1.587 4.012 1.00 0.00 H new ATOM 0 HD2 TYR A 29 8.694 -3.766 6.910 1.00 0.00 H new ATOM 0 HE1 TYR A 29 8.537 -0.938 2.888 1.00 0.00 H new ATOM 0 HE2 TYR A 29 10.782 -3.117 5.786 1.00 0.00 H new ATOM 0 HH TYR A 29 11.715 -2.004 4.124 1.00 0.00 H new ATOM 480 N PHE A 30 4.381 -1.106 5.009 1.00 0.00 N ATOM 481 CA PHE A 30 4.030 -0.120 3.992 1.00 0.00 C ATOM 482 C PHE A 30 3.568 1.198 4.615 1.00 0.00 C ATOM 483 O PHE A 30 4.015 2.268 4.209 1.00 0.00 O ATOM 484 CB PHE A 30 2.945 -0.693 3.066 1.00 0.00 C ATOM 485 CG PHE A 30 3.435 -1.090 1.690 1.00 0.00 C ATOM 486 CD1 PHE A 30 4.713 -0.759 1.251 1.00 0.00 C ATOM 487 CD2 PHE A 30 2.609 -1.806 0.834 1.00 0.00 C ATOM 488 CE1 PHE A 30 5.152 -1.130 -0.004 1.00 0.00 C ATOM 489 CE2 PHE A 30 3.046 -2.177 -0.425 1.00 0.00 C ATOM 490 CZ PHE A 30 4.318 -1.840 -0.842 1.00 0.00 C ATOM 0 H PHE A 30 3.954 -2.021 4.865 1.00 0.00 H new ATOM 0 HA PHE A 30 4.924 0.097 3.407 1.00 0.00 H new ATOM 0 HB2 PHE A 30 2.501 -1.566 3.545 1.00 0.00 H new ATOM 0 HB3 PHE A 30 2.153 0.047 2.955 1.00 0.00 H new ATOM 0 HD1 PHE A 30 5.372 -0.203 1.902 1.00 0.00 H new ATOM 0 HD2 PHE A 30 1.614 -2.076 1.155 1.00 0.00 H new ATOM 0 HE1 PHE A 30 6.147 -0.865 -0.329 1.00 0.00 H new ATOM 0 HE2 PHE A 30 2.392 -2.731 -1.082 1.00 0.00 H new ATOM 0 HZ PHE A 30 4.660 -2.132 -1.824 1.00 0.00 H new ATOM 500 N LYS A 31 2.677 1.121 5.599 1.00 0.00 N ATOM 501 CA LYS A 31 2.176 2.326 6.253 1.00 0.00 C ATOM 502 C LYS A 31 3.307 3.052 6.975 1.00 0.00 C ATOM 503 O LYS A 31 3.383 4.281 6.951 1.00 0.00 O ATOM 504 CB LYS A 31 1.057 1.988 7.238 1.00 0.00 C ATOM 505 CG LYS A 31 0.297 3.207 7.734 1.00 0.00 C ATOM 506 CD LYS A 31 0.890 3.746 9.026 1.00 0.00 C ATOM 507 CE LYS A 31 0.381 2.974 10.235 1.00 0.00 C ATOM 508 NZ LYS A 31 1.349 1.934 10.677 1.00 0.00 N ATOM 0 H LYS A 31 2.291 0.248 5.958 1.00 0.00 H new ATOM 0 HA LYS A 31 1.771 2.982 5.483 1.00 0.00 H new ATOM 0 HB2 LYS A 31 0.357 1.303 6.759 1.00 0.00 H new ATOM 0 HB3 LYS A 31 1.483 1.463 8.093 1.00 0.00 H new ATOM 0 HG2 LYS A 31 0.317 3.985 6.971 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -0.749 2.945 7.894 1.00 0.00 H new ATOM 0 HD2 LYS A 31 1.977 3.683 8.983 1.00 0.00 H new ATOM 0 HD3 LYS A 31 0.636 4.801 9.133 1.00 0.00 H new ATOM 0 HE2 LYS A 31 0.193 3.667 11.055 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -0.571 2.503 9.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 0.906 0.996 10.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 2.192 1.963 10.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 1.627 2.115 11.663 1.00 0.00 H new ATOM 522 N LEU A 32 4.191 2.288 7.613 1.00 0.00 N ATOM 523 CA LEU A 32 5.318 2.868 8.333 1.00 0.00 C ATOM 524 C LEU A 32 6.223 3.651 7.387 1.00 0.00 C ATOM 525 O LEU A 32 6.859 4.627 7.785 1.00 0.00 O ATOM 526 CB LEU A 32 6.115 1.779 9.045 1.00 0.00 C ATOM 527 CG LEU A 32 6.247 1.949 10.564 1.00 0.00 C ATOM 528 CD1 LEU A 32 7.654 2.384 10.930 1.00 0.00 C ATOM 529 CD2 LEU A 32 5.227 2.934 11.127 1.00 0.00 C ATOM 0 H LEU A 32 4.148 1.269 7.645 1.00 0.00 H new ATOM 0 HA LEU A 32 4.923 3.558 9.079 1.00 0.00 H new ATOM 0 HB2 LEU A 32 5.644 0.817 8.843 1.00 0.00 H new ATOM 0 HB3 LEU A 32 7.115 1.742 8.612 1.00 0.00 H new ATOM 0 HG LEU A 32 6.043 0.977 11.013 1.00 0.00 H new ATOM 0 HD11 LEU A 32 7.729 2.500 12.011 1.00 0.00 H new ATOM 0 HD12 LEU A 32 8.367 1.630 10.595 1.00 0.00 H new ATOM 0 HD13 LEU A 32 7.878 3.335 10.447 1.00 0.00 H new ATOM 0 HD21 LEU A 32 5.361 3.020 12.205 1.00 0.00 H new ATOM 0 HD22 LEU A 32 5.371 3.911 10.665 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.220 2.576 10.914 1.00 0.00 H new ATOM 541 N TYR A 33 6.271 3.215 6.133 1.00 0.00 N ATOM 542 CA TYR A 33 7.090 3.870 5.121 1.00 0.00 C ATOM 543 C TYR A 33 6.400 5.134 4.617 1.00 0.00 C ATOM 544 O TYR A 33 7.003 6.204 4.559 1.00 0.00 O ATOM 545 CB TYR A 33 7.353 2.898 3.961 1.00 0.00 C ATOM 546 CG TYR A 33 7.903 3.547 2.708 1.00 0.00 C ATOM 547 CD1 TYR A 33 7.088 4.316 1.884 1.00 0.00 C ATOM 548 CD2 TYR A 33 9.233 3.381 2.344 1.00 0.00 C ATOM 549 CE1 TYR A 33 7.585 4.902 0.737 1.00 0.00 C ATOM 550 CE2 TYR A 33 9.737 3.963 1.198 1.00 0.00 C ATOM 551 CZ TYR A 33 8.909 4.724 0.398 1.00 0.00 C ATOM 552 OH TYR A 33 9.408 5.304 -0.746 1.00 0.00 O ATOM 0 H TYR A 33 5.750 2.407 5.792 1.00 0.00 H new ATOM 0 HA TYR A 33 8.044 4.157 5.564 1.00 0.00 H new ATOM 0 HB2 TYR A 33 8.054 2.134 4.296 1.00 0.00 H new ATOM 0 HB3 TYR A 33 6.422 2.389 3.712 1.00 0.00 H new ATOM 0 HD1 TYR A 33 6.050 4.457 2.146 1.00 0.00 H new ATOM 0 HD2 TYR A 33 9.884 2.787 2.968 1.00 0.00 H new ATOM 0 HE1 TYR A 33 6.939 5.497 0.108 1.00 0.00 H new ATOM 0 HE2 TYR A 33 10.774 3.824 0.929 1.00 0.00 H new ATOM 0 HH TYR A 33 10.358 5.081 -0.838 1.00 0.00 H new ATOM 562 N ALA A 34 5.133 4.995 4.251 1.00 0.00 N ATOM 563 CA ALA A 34 4.354 6.120 3.746 1.00 0.00 C ATOM 564 C ALA A 34 4.097 7.157 4.833 1.00 0.00 C ATOM 565 O ALA A 34 3.997 8.352 4.553 1.00 0.00 O ATOM 566 CB ALA A 34 3.039 5.622 3.167 1.00 0.00 C ATOM 0 H ALA A 34 4.621 4.114 4.294 1.00 0.00 H new ATOM 0 HA ALA A 34 4.933 6.605 2.960 1.00 0.00 H new ATOM 0 HB1 ALA A 34 2.463 6.468 2.792 1.00 0.00 H new ATOM 0 HB2 ALA A 34 3.240 4.929 2.350 1.00 0.00 H new ATOM 0 HB3 ALA A 34 2.470 5.111 3.944 1.00 0.00 H new ATOM 572 N ASN A 35 3.987 6.692 6.076 1.00 0.00 N ATOM 573 CA ASN A 35 3.734 7.585 7.203 1.00 0.00 C ATOM 574 C ASN A 35 5.014 8.285 7.655 1.00 0.00 C ATOM 575 O ASN A 35 4.969 9.391 8.193 1.00 0.00 O ATOM 576 CB ASN A 35 3.129 6.805 8.369 1.00 0.00 C ATOM 577 CG ASN A 35 2.336 7.691 9.310 1.00 0.00 C ATOM 578 OD1 ASN A 35 1.602 8.579 8.873 1.00 0.00 O ATOM 579 ND2 ASN A 35 2.479 7.456 10.608 1.00 0.00 N ATOM 0 H ASN A 35 4.069 5.707 6.327 1.00 0.00 H new ATOM 0 HA ASN A 35 3.028 8.347 6.873 1.00 0.00 H new ATOM 0 HB2 ASN A 35 2.480 6.021 7.980 1.00 0.00 H new ATOM 0 HB3 ASN A 35 3.926 6.312 8.925 1.00 0.00 H new ATOM 0 HD21 ASN A 35 1.970 8.021 11.288 1.00 0.00 H new ATOM 0 HD22 ASN A 35 3.098 6.710 10.926 1.00 0.00 H new ATOM 586 N ALA A 36 6.152 7.633 7.439 1.00 0.00 N ATOM 587 CA ALA A 36 7.438 8.195 7.831 1.00 0.00 C ATOM 588 C ALA A 36 8.072 8.987 6.694 1.00 0.00 C ATOM 589 O ALA A 36 8.448 10.147 6.864 1.00 0.00 O ATOM 590 CB ALA A 36 8.378 7.089 8.292 1.00 0.00 C ATOM 0 H ALA A 36 6.209 6.716 6.995 1.00 0.00 H new ATOM 0 HA ALA A 36 7.263 8.883 8.658 1.00 0.00 H new ATOM 0 HB1 ALA A 36 9.335 7.522 8.582 1.00 0.00 H new ATOM 0 HB2 ALA A 36 7.940 6.572 9.146 1.00 0.00 H new ATOM 0 HB3 ALA A 36 8.532 6.380 7.479 1.00 0.00 H new ATOM 596 N LYS A 37 8.193 8.352 5.531 1.00 0.00 N ATOM 597 CA LYS A 37 8.789 8.996 4.368 1.00 0.00 C ATOM 598 C LYS A 37 7.998 10.235 3.954 1.00 0.00 C ATOM 599 O LYS A 37 8.483 11.359 4.071 1.00 0.00 O ATOM 600 CB LYS A 37 8.863 8.011 3.199 1.00 0.00 C ATOM 601 CG LYS A 37 9.478 6.672 3.571 1.00 0.00 C ATOM 602 CD LYS A 37 10.909 6.551 3.071 1.00 0.00 C ATOM 603 CE LYS A 37 11.874 6.239 4.201 1.00 0.00 C ATOM 604 NZ LYS A 37 13.278 6.588 3.845 1.00 0.00 N ATOM 0 H LYS A 37 7.886 7.393 5.371 1.00 0.00 H new ATOM 0 HA LYS A 37 9.797 9.311 4.639 1.00 0.00 H new ATOM 0 HB2 LYS A 37 7.858 7.845 2.811 1.00 0.00 H new ATOM 0 HB3 LYS A 37 9.446 8.458 2.394 1.00 0.00 H new ATOM 0 HG2 LYS A 37 9.460 6.552 4.654 1.00 0.00 H new ATOM 0 HG3 LYS A 37 8.876 5.866 3.151 1.00 0.00 H new ATOM 0 HD2 LYS A 37 10.966 5.766 2.317 1.00 0.00 H new ATOM 0 HD3 LYS A 37 11.205 7.481 2.586 1.00 0.00 H new ATOM 0 HE2 LYS A 37 11.578 6.790 5.094 1.00 0.00 H new ATOM 0 HE3 LYS A 37 11.815 5.179 4.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 13.905 6.360 4.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 13.570 6.043 3.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 13.340 7.605 3.635 1.00 0.00 H new ATOM 618 N THR A 38 6.777 10.021 3.473 1.00 0.00 N ATOM 619 CA THR A 38 5.922 11.123 3.041 1.00 0.00 C ATOM 620 C THR A 38 4.755 11.314 4.013 1.00 0.00 C ATOM 621 O THR A 38 4.842 10.928 5.180 1.00 0.00 O ATOM 622 CB THR A 38 5.402 10.861 1.628 1.00 0.00 C ATOM 623 OG1 THR A 38 4.379 9.881 1.646 1.00 0.00 O ATOM 624 CG2 THR A 38 6.475 10.386 0.672 1.00 0.00 C ATOM 0 H THR A 38 6.358 9.097 3.372 1.00 0.00 H new ATOM 0 HA THR A 38 6.513 12.039 3.034 1.00 0.00 H new ATOM 0 HB THR A 38 5.025 11.821 1.276 1.00 0.00 H new ATOM 0 HG1 THR A 38 3.585 10.228 1.188 1.00 0.00 H new ATOM 0 HG21 THR A 38 6.037 10.219 -0.312 1.00 0.00 H new ATOM 0 HG22 THR A 38 7.257 11.142 0.598 1.00 0.00 H new ATOM 0 HG23 THR A 38 6.904 9.454 1.041 1.00 0.00 H new ATOM 632 N VAL A 39 3.661 11.915 3.537 1.00 0.00 N ATOM 633 CA VAL A 39 2.492 12.145 4.375 1.00 0.00 C ATOM 634 C VAL A 39 1.383 11.149 4.054 1.00 0.00 C ATOM 635 O VAL A 39 1.364 10.555 2.974 1.00 0.00 O ATOM 636 CB VAL A 39 1.947 13.577 4.200 1.00 0.00 C ATOM 637 CG1 VAL A 39 0.871 13.867 5.235 1.00 0.00 C ATOM 638 CG2 VAL A 39 3.076 14.593 4.295 1.00 0.00 C ATOM 0 H VAL A 39 3.565 12.248 2.578 1.00 0.00 H new ATOM 0 HA VAL A 39 2.812 12.010 5.408 1.00 0.00 H new ATOM 0 HB VAL A 39 1.499 13.658 3.210 1.00 0.00 H new ATOM 0 HG11 VAL A 39 0.497 14.882 5.097 1.00 0.00 H new ATOM 0 HG12 VAL A 39 0.051 13.159 5.115 1.00 0.00 H new ATOM 0 HG13 VAL A 39 1.292 13.768 6.235 1.00 0.00 H new ATOM 0 HG21 VAL A 39 2.673 15.598 4.169 1.00 0.00 H new ATOM 0 HG22 VAL A 39 3.555 14.514 5.271 1.00 0.00 H new ATOM 0 HG23 VAL A 39 3.810 14.396 3.513 1.00 0.00 H new ATOM 648 N GLU A 40 0.461 10.970 4.994 1.00 0.00 N ATOM 649 CA GLU A 40 -0.648 10.044 4.809 1.00 0.00 C ATOM 650 C GLU A 40 -1.914 10.787 4.390 1.00 0.00 C ATOM 651 O GLU A 40 -2.467 11.569 5.158 1.00 0.00 O ATOM 652 CB GLU A 40 -0.904 9.259 6.098 1.00 0.00 C ATOM 653 CG GLU A 40 -0.341 7.849 6.072 1.00 0.00 C ATOM 654 CD GLU A 40 -0.985 6.945 7.103 1.00 0.00 C ATOM 655 OE1 GLU A 40 -1.130 7.380 8.267 1.00 0.00 O ATOM 656 OE2 GLU A 40 -1.346 5.802 6.751 1.00 0.00 O ATOM 0 H GLU A 40 0.461 11.455 5.892 1.00 0.00 H new ATOM 0 HA GLU A 40 -0.379 9.347 4.015 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -0.466 9.801 6.937 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -1.978 9.209 6.276 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -0.485 7.422 5.079 1.00 0.00 H new ATOM 0 HG3 GLU A 40 0.734 7.888 6.249 1.00 0.00 H new ATOM 663 N GLY A 41 -2.365 10.532 3.166 1.00 0.00 N ATOM 664 CA GLY A 41 -3.559 11.175 2.664 1.00 0.00 C ATOM 665 C GLY A 41 -4.617 10.178 2.237 1.00 0.00 C ATOM 666 O GLY A 41 -4.909 9.225 2.962 1.00 0.00 O ATOM 0 H GLY A 41 -1.920 9.888 2.512 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -3.969 11.827 3.435 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -3.298 11.809 1.816 1.00 0.00 H new ATOM 670 N VAL A 42 -5.188 10.386 1.054 1.00 0.00 N ATOM 671 CA VAL A 42 -6.214 9.490 0.537 1.00 0.00 C ATOM 672 C VAL A 42 -5.629 8.149 0.158 1.00 0.00 C ATOM 673 O VAL A 42 -4.828 8.037 -0.771 1.00 0.00 O ATOM 674 CB VAL A 42 -6.936 10.093 -0.682 1.00 0.00 C ATOM 675 CG1 VAL A 42 -7.718 11.329 -0.279 1.00 0.00 C ATOM 676 CG2 VAL A 42 -5.947 10.418 -1.786 1.00 0.00 C ATOM 0 H VAL A 42 -4.957 11.165 0.438 1.00 0.00 H new ATOM 0 HA VAL A 42 -6.939 9.351 1.339 1.00 0.00 H new ATOM 0 HB VAL A 42 -7.639 9.353 -1.065 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -8.222 11.742 -1.153 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -8.459 11.061 0.474 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -7.036 12.073 0.132 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -6.479 10.843 -2.637 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -5.216 11.138 -1.419 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -5.435 9.507 -2.096 1.00 0.00 H new ATOM 686 N TRP A 43 -6.030 7.131 0.902 1.00 0.00 N ATOM 687 CA TRP A 43 -5.562 5.774 0.688 1.00 0.00 C ATOM 688 C TRP A 43 -6.404 5.056 -0.361 1.00 0.00 C ATOM 689 O TRP A 43 -7.592 5.340 -0.524 1.00 0.00 O ATOM 690 CB TRP A 43 -5.617 5.019 2.009 1.00 0.00 C ATOM 691 CG TRP A 43 -4.410 5.229 2.871 1.00 0.00 C ATOM 692 CD1 TRP A 43 -4.188 6.261 3.737 1.00 0.00 C ATOM 693 CD2 TRP A 43 -3.259 4.385 2.949 1.00 0.00 C ATOM 694 NE1 TRP A 43 -2.968 6.109 4.350 1.00 0.00 N ATOM 695 CE2 TRP A 43 -2.378 4.963 3.884 1.00 0.00 C ATOM 696 CE3 TRP A 43 -2.888 3.196 2.320 1.00 0.00 C ATOM 697 CZ2 TRP A 43 -1.149 4.390 4.202 1.00 0.00 C ATOM 698 CZ3 TRP A 43 -1.668 2.628 2.637 1.00 0.00 C ATOM 699 CH2 TRP A 43 -0.810 3.224 3.569 1.00 0.00 C ATOM 0 H TRP A 43 -6.691 7.224 1.673 1.00 0.00 H new ATOM 0 HA TRP A 43 -4.537 5.810 0.320 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -6.505 5.331 2.559 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -5.726 3.954 1.805 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -4.872 7.078 3.914 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -2.567 6.745 5.039 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -3.542 2.728 1.599 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -0.487 4.849 4.922 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -1.371 1.707 2.157 1.00 0.00 H new ATOM 0 HH2 TRP A 43 0.137 2.755 3.793 1.00 0.00 H new ATOM 710 N THR A 44 -5.779 4.123 -1.070 1.00 0.00 N ATOM 711 CA THR A 44 -6.460 3.352 -2.105 1.00 0.00 C ATOM 712 C THR A 44 -5.745 2.025 -2.337 1.00 0.00 C ATOM 713 O THR A 44 -4.603 1.998 -2.801 1.00 0.00 O ATOM 714 CB THR A 44 -6.524 4.150 -3.409 1.00 0.00 C ATOM 715 OG1 THR A 44 -6.255 5.522 -3.174 1.00 0.00 O ATOM 716 CG2 THR A 44 -7.865 4.059 -4.100 1.00 0.00 C ATOM 0 H THR A 44 -4.796 3.881 -0.946 1.00 0.00 H new ATOM 0 HA THR A 44 -7.477 3.147 -1.769 1.00 0.00 H new ATOM 0 HB THR A 44 -5.768 3.705 -4.056 1.00 0.00 H new ATOM 0 HG1 THR A 44 -6.299 6.014 -4.021 1.00 0.00 H new ATOM 0 HG21 THR A 44 -7.842 4.647 -5.017 1.00 0.00 H new ATOM 0 HG22 THR A 44 -8.080 3.018 -4.342 1.00 0.00 H new ATOM 0 HG23 THR A 44 -8.641 4.446 -3.440 1.00 0.00 H new ATOM 724 N TYR A 45 -6.413 0.930 -2.002 1.00 0.00 N ATOM 725 CA TYR A 45 -5.833 -0.397 -2.165 1.00 0.00 C ATOM 726 C TYR A 45 -6.247 -1.027 -3.490 1.00 0.00 C ATOM 727 O TYR A 45 -7.327 -0.754 -4.012 1.00 0.00 O ATOM 728 CB TYR A 45 -6.254 -1.302 -1.007 1.00 0.00 C ATOM 729 CG TYR A 45 -5.623 -2.674 -1.047 1.00 0.00 C ATOM 730 CD1 TYR A 45 -4.300 -2.864 -0.667 1.00 0.00 C ATOM 731 CD2 TYR A 45 -6.350 -3.781 -1.467 1.00 0.00 C ATOM 732 CE1 TYR A 45 -3.721 -4.117 -0.701 1.00 0.00 C ATOM 733 CE2 TYR A 45 -5.776 -5.039 -1.507 1.00 0.00 C ATOM 734 CZ TYR A 45 -4.462 -5.202 -1.122 1.00 0.00 C ATOM 735 OH TYR A 45 -3.888 -6.450 -1.159 1.00 0.00 O ATOM 0 H TYR A 45 -7.357 0.934 -1.616 1.00 0.00 H new ATOM 0 HA TYR A 45 -4.748 -0.288 -2.165 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -5.992 -0.819 -0.066 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -7.339 -1.410 -1.018 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -3.715 -2.017 -0.340 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -7.380 -3.657 -1.767 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -2.692 -4.247 -0.399 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -6.354 -5.889 -1.838 1.00 0.00 H new ATOM 0 HH TYR A 45 -4.545 -7.103 -1.478 1.00 0.00 H new ATOM 745 N LYS A 46 -5.376 -1.878 -4.025 1.00 0.00 N ATOM 746 CA LYS A 46 -5.645 -2.557 -5.287 1.00 0.00 C ATOM 747 C LYS A 46 -5.615 -4.071 -5.096 1.00 0.00 C ATOM 748 O LYS A 46 -4.640 -4.622 -4.585 1.00 0.00 O ATOM 749 CB LYS A 46 -4.613 -2.142 -6.342 1.00 0.00 C ATOM 750 CG LYS A 46 -5.114 -1.063 -7.290 1.00 0.00 C ATOM 751 CD LYS A 46 -5.213 0.287 -6.594 1.00 0.00 C ATOM 752 CE LYS A 46 -5.268 1.426 -7.601 1.00 0.00 C ATOM 753 NZ LYS A 46 -4.499 2.615 -7.137 1.00 0.00 N ATOM 0 H LYS A 46 -4.478 -2.113 -3.603 1.00 0.00 H new ATOM 0 HA LYS A 46 -6.638 -2.268 -5.630 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -3.715 -1.784 -5.839 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -4.325 -3.019 -6.922 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -4.440 -0.985 -8.143 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -6.092 -1.345 -7.680 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -6.104 0.310 -5.966 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -4.355 0.423 -5.935 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -4.869 1.086 -8.556 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -6.306 1.709 -7.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -4.127 3.130 -7.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -5.124 3.241 -6.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -3.709 2.305 -6.537 1.00 0.00 H new ATOM 767 N ASP A 47 -6.693 -4.734 -5.503 1.00 0.00 N ATOM 768 CA ASP A 47 -6.796 -6.184 -5.369 1.00 0.00 C ATOM 769 C ASP A 47 -6.356 -6.890 -6.649 1.00 0.00 C ATOM 770 O ASP A 47 -6.802 -8.001 -6.937 1.00 0.00 O ATOM 771 CB ASP A 47 -8.231 -6.583 -5.016 1.00 0.00 C ATOM 772 CG ASP A 47 -8.344 -7.148 -3.613 1.00 0.00 C ATOM 773 OD1 ASP A 47 -7.971 -8.325 -3.416 1.00 0.00 O ATOM 774 OD2 ASP A 47 -8.806 -6.415 -2.714 1.00 0.00 O ATOM 0 H ASP A 47 -7.507 -4.291 -5.928 1.00 0.00 H new ATOM 0 HA ASP A 47 -6.130 -6.495 -4.564 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -8.881 -5.713 -5.108 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -8.587 -7.323 -5.733 1.00 0.00 H new ATOM 779 N GLU A 48 -5.475 -6.245 -7.406 1.00 0.00 N ATOM 780 CA GLU A 48 -4.978 -6.822 -8.654 1.00 0.00 C ATOM 781 C GLU A 48 -3.733 -7.664 -8.395 1.00 0.00 C ATOM 782 O GLU A 48 -3.522 -8.695 -9.026 1.00 0.00 O ATOM 783 CB GLU A 48 -4.663 -5.717 -9.661 1.00 0.00 C ATOM 784 CG GLU A 48 -5.893 -5.156 -10.353 1.00 0.00 C ATOM 785 CD GLU A 48 -6.730 -6.231 -11.011 1.00 0.00 C ATOM 786 OE1 GLU A 48 -6.186 -6.974 -11.852 1.00 0.00 O ATOM 787 OE2 GLU A 48 -7.935 -6.333 -10.690 1.00 0.00 O ATOM 0 H GLU A 48 -5.091 -5.327 -7.181 1.00 0.00 H new ATOM 0 HA GLU A 48 -5.754 -7.465 -9.068 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -4.144 -4.907 -9.148 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -3.979 -6.108 -10.414 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -6.503 -4.620 -9.625 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -5.583 -4.430 -11.105 1.00 0.00 H new ATOM 794 N THR A 49 -2.911 -7.211 -7.451 1.00 0.00 N ATOM 795 CA THR A 49 -1.687 -7.917 -7.098 1.00 0.00 C ATOM 796 C THR A 49 -1.129 -7.403 -5.775 1.00 0.00 C ATOM 797 O THR A 49 0.085 -7.317 -5.592 1.00 0.00 O ATOM 798 CB THR A 49 -0.638 -7.750 -8.200 1.00 0.00 C ATOM 799 OG1 THR A 49 -1.232 -7.860 -9.481 1.00 0.00 O ATOM 800 CG2 THR A 49 0.478 -8.773 -8.121 1.00 0.00 C ATOM 0 H THR A 49 -3.073 -6.357 -6.918 1.00 0.00 H new ATOM 0 HA THR A 49 -1.927 -8.975 -6.990 1.00 0.00 H new ATOM 0 HB THR A 49 -0.213 -6.758 -8.048 1.00 0.00 H new ATOM 0 HG1 THR A 49 -1.870 -8.604 -9.483 1.00 0.00 H new ATOM 0 HG21 THR A 49 1.188 -8.600 -8.930 1.00 0.00 H new ATOM 0 HG22 THR A 49 0.989 -8.680 -7.163 1.00 0.00 H new ATOM 0 HG23 THR A 49 0.060 -9.775 -8.214 1.00 0.00 H new ATOM 808 N LYS A 50 -2.027 -7.058 -4.855 1.00 0.00 N ATOM 809 CA LYS A 50 -1.625 -6.548 -3.549 1.00 0.00 C ATOM 810 C LYS A 50 -0.823 -5.260 -3.700 1.00 0.00 C ATOM 811 O LYS A 50 0.410 -5.278 -3.682 1.00 0.00 O ATOM 812 CB LYS A 50 -0.795 -7.595 -2.802 1.00 0.00 C ATOM 813 CG LYS A 50 -1.635 -8.621 -2.058 1.00 0.00 C ATOM 814 CD LYS A 50 -2.124 -9.723 -2.987 1.00 0.00 C ATOM 815 CE LYS A 50 -3.453 -9.362 -3.631 1.00 0.00 C ATOM 816 NZ LYS A 50 -4.439 -10.474 -3.529 1.00 0.00 N ATOM 0 H LYS A 50 -3.036 -7.123 -4.991 1.00 0.00 H new ATOM 0 HA LYS A 50 -2.526 -6.333 -2.974 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -0.152 -8.112 -3.514 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -0.142 -7.089 -2.091 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -1.046 -9.058 -1.252 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -2.490 -8.127 -1.597 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -1.380 -9.903 -3.763 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -2.231 -10.652 -2.426 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -3.859 -8.471 -3.151 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -3.293 -9.114 -4.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -5.332 -10.189 -3.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -4.063 -11.317 -4.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -4.612 -10.694 -2.527 1.00 0.00 H new ATOM 830 N THR A 51 -1.524 -4.141 -3.854 1.00 0.00 N ATOM 831 CA THR A 51 -0.867 -2.849 -4.015 1.00 0.00 C ATOM 832 C THR A 51 -1.579 -1.758 -3.221 1.00 0.00 C ATOM 833 O THR A 51 -2.807 -1.681 -3.211 1.00 0.00 O ATOM 834 CB THR A 51 -0.813 -2.466 -5.495 1.00 0.00 C ATOM 835 OG1 THR A 51 -0.123 -3.452 -6.244 1.00 0.00 O ATOM 836 CG2 THR A 51 -0.131 -1.139 -5.750 1.00 0.00 C ATOM 0 H THR A 51 -2.543 -4.103 -3.871 1.00 0.00 H new ATOM 0 HA THR A 51 0.148 -2.941 -3.628 1.00 0.00 H new ATOM 0 HB THR A 51 -1.854 -2.386 -5.807 1.00 0.00 H new ATOM 0 HG1 THR A 51 -0.101 -3.190 -7.188 1.00 0.00 H new ATOM 0 HG21 THR A 51 -0.129 -0.931 -6.820 1.00 0.00 H new ATOM 0 HG22 THR A 51 -0.668 -0.347 -5.228 1.00 0.00 H new ATOM 0 HG23 THR A 51 0.896 -1.182 -5.386 1.00 0.00 H new ATOM 844 N PHE A 52 -0.790 -0.911 -2.566 1.00 0.00 N ATOM 845 CA PHE A 52 -1.327 0.190 -1.775 1.00 0.00 C ATOM 846 C PHE A 52 -1.038 1.525 -2.458 1.00 0.00 C ATOM 847 O PHE A 52 0.069 1.753 -2.947 1.00 0.00 O ATOM 848 CB PHE A 52 -0.714 0.187 -0.371 1.00 0.00 C ATOM 849 CG PHE A 52 -1.310 -0.838 0.552 1.00 0.00 C ATOM 850 CD1 PHE A 52 -0.838 -2.141 0.558 1.00 0.00 C ATOM 851 CD2 PHE A 52 -2.337 -0.499 1.419 1.00 0.00 C ATOM 852 CE1 PHE A 52 -1.378 -3.084 1.411 1.00 0.00 C ATOM 853 CE2 PHE A 52 -2.879 -1.437 2.276 1.00 0.00 C ATOM 854 CZ PHE A 52 -2.399 -2.733 2.271 1.00 0.00 C ATOM 0 H PHE A 52 0.228 -0.967 -2.568 1.00 0.00 H new ATOM 0 HA PHE A 52 -2.406 0.058 -1.692 1.00 0.00 H new ATOM 0 HB2 PHE A 52 0.358 0.007 -0.454 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -0.838 1.176 0.071 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -0.039 -2.422 -0.112 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -2.718 0.511 1.425 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -1.001 -4.096 1.405 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -3.676 -1.158 2.949 1.00 0.00 H new ATOM 0 HZ PHE A 52 -2.822 -3.469 2.938 1.00 0.00 H new ATOM 864 N THR A 53 -2.033 2.405 -2.493 1.00 0.00 N ATOM 865 CA THR A 53 -1.874 3.712 -3.121 1.00 0.00 C ATOM 866 C THR A 53 -2.384 4.825 -2.213 1.00 0.00 C ATOM 867 O THR A 53 -3.570 4.889 -1.901 1.00 0.00 O ATOM 868 CB THR A 53 -2.615 3.753 -4.458 1.00 0.00 C ATOM 869 OG1 THR A 53 -2.161 2.717 -5.315 1.00 0.00 O ATOM 870 CG2 THR A 53 -2.449 5.064 -5.195 1.00 0.00 C ATOM 0 H THR A 53 -2.957 2.237 -2.095 1.00 0.00 H new ATOM 0 HA THR A 53 -0.810 3.871 -3.295 1.00 0.00 H new ATOM 0 HB THR A 53 -3.668 3.627 -4.208 1.00 0.00 H new ATOM 0 HG1 THR A 53 -1.356 2.307 -4.935 1.00 0.00 H new ATOM 0 HG21 THR A 53 -3.000 5.025 -6.135 1.00 0.00 H new ATOM 0 HG22 THR A 53 -2.835 5.878 -4.581 1.00 0.00 H new ATOM 0 HG23 THR A 53 -1.392 5.235 -5.401 1.00 0.00 H new ATOM 878 N VAL A 54 -1.481 5.702 -1.790 1.00 0.00 N ATOM 879 CA VAL A 54 -1.848 6.812 -0.915 1.00 0.00 C ATOM 880 C VAL A 54 -1.194 8.113 -1.380 1.00 0.00 C ATOM 881 O VAL A 54 -0.010 8.143 -1.711 1.00 0.00 O ATOM 882 CB VAL A 54 -1.441 6.526 0.544 1.00 0.00 C ATOM 883 CG1 VAL A 54 0.053 6.271 0.642 1.00 0.00 C ATOM 884 CG2 VAL A 54 -1.851 7.675 1.454 1.00 0.00 C ATOM 0 H VAL A 54 -0.492 5.667 -2.037 1.00 0.00 H new ATOM 0 HA VAL A 54 -2.931 6.921 -0.965 1.00 0.00 H new ATOM 0 HB VAL A 54 -1.964 5.628 0.874 1.00 0.00 H new ATOM 0 HG11 VAL A 54 0.321 6.071 1.680 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.316 5.410 0.027 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.596 7.148 0.290 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -1.554 7.451 2.479 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -1.361 8.592 1.126 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -2.932 7.806 1.410 1.00 0.00 H new ATOM 894 N THR A 55 -1.974 9.187 -1.398 1.00 0.00 N ATOM 895 CA THR A 55 -1.464 10.486 -1.821 1.00 0.00 C ATOM 896 C THR A 55 -2.039 11.605 -0.957 1.00 0.00 C ATOM 897 O THR A 55 -3.115 11.460 -0.388 1.00 0.00 O ATOM 898 CB THR A 55 -1.802 10.736 -3.290 1.00 0.00 C ATOM 899 OG1 THR A 55 -1.667 12.110 -3.616 1.00 0.00 O ATOM 900 CG2 THR A 55 -3.203 10.312 -3.658 1.00 0.00 C ATOM 0 H THR A 55 -2.957 9.185 -1.126 1.00 0.00 H new ATOM 0 HA THR A 55 -0.381 10.479 -1.701 1.00 0.00 H new ATOM 0 HB THR A 55 -1.094 10.129 -3.855 1.00 0.00 H new ATOM 0 HG1 THR A 55 -0.717 12.334 -3.704 1.00 0.00 H new ATOM 0 HG21 THR A 55 -3.379 10.516 -4.714 1.00 0.00 H new ATOM 0 HG22 THR A 55 -3.321 9.245 -3.470 1.00 0.00 H new ATOM 0 HG23 THR A 55 -3.921 10.868 -3.056 1.00 0.00 H new ATOM 908 N GLU A 56 -1.311 12.712 -0.868 1.00 0.00 N ATOM 909 CA GLU A 56 -1.749 13.850 -0.076 1.00 0.00 C ATOM 910 C GLU A 56 -2.422 14.897 -0.956 1.00 0.00 C ATOM 911 O GLU A 56 -3.458 15.447 -0.532 1.00 0.00 O ATOM 912 CB GLU A 56 -0.565 14.476 0.665 1.00 0.00 C ATOM 913 CG GLU A 56 -0.882 14.876 2.094 1.00 0.00 C ATOM 914 CD GLU A 56 -0.246 16.200 2.484 1.00 0.00 C ATOM 915 OE1 GLU A 56 0.999 16.279 2.481 1.00 0.00 O ATOM 916 OE2 GLU A 56 -0.987 17.147 2.793 1.00 0.00 O ATOM 917 OXT GLU A 56 -1.908 15.157 -2.064 1.00 0.00 O ATOM 0 H GLU A 56 -0.414 12.844 -1.336 1.00 0.00 H new ATOM 0 HA GLU A 56 -2.474 13.491 0.654 1.00 0.00 H new ATOM 0 HB2 GLU A 56 0.264 13.768 0.671 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -0.229 15.356 0.117 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -1.963 14.946 2.217 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -0.534 14.096 2.772 1.00 0.00 H new