USER MOD reduce.3.24.130724 H: found=0, std=0, add=416, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 417 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 50 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 52 THR OG1 : rot 180:sc= -0.408 USER MOD Single : A 2 THR OG1 : rot 136:sc= 1.28 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= -0.21 K(o=-0.21,f=-1.2!) USER MOD Single : A 11 LYS NZ :NH3+ -175:sc= 0.123 (180deg=0.118) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 170:sc= -0.683 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot -150:sc=-0.00489 USER MOD Single : A 26 THR OG1 : rot -150:sc= -0.424 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= -0.21 X(o=-0.21,f=-0.17) USER MOD Single : A 34 TYR OH : rot -140:sc= -1.17 USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 ASN : amide:sc=-0.000693 X(o=-0.00069,f=-0.024) USER MOD Single : A 45 THR OG1 : rot 150:sc= -1.31 USER MOD Single : A 46 TYR OH : rot 180:sc= -2.72 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 138:sc= 0.184 USER MOD Single : A 56 THR OG1 : rot -16:sc= 0.174! USER MOD ----------------------------------------------------------------- ATOM 20 N THR A 2 13.854 -1.272 1.493 1.00 0.00 N ATOM 21 CA THR A 2 12.921 -0.201 1.029 1.00 0.00 C ATOM 22 C THR A 2 11.617 -0.250 1.831 1.00 0.00 C ATOM 23 O THR A 2 10.846 -1.185 1.724 1.00 0.00 O ATOM 24 CB THR A 2 12.658 -0.517 -0.443 1.00 0.00 C ATOM 25 OG1 THR A 2 13.893 -0.559 -1.144 1.00 0.00 O ATOM 26 CG2 THR A 2 11.762 0.566 -1.047 1.00 0.00 C ATOM 0 HA THR A 2 13.338 0.797 1.164 1.00 0.00 H new ATOM 0 HB THR A 2 12.160 -1.483 -0.525 1.00 0.00 H new ATOM 0 HG1 THR A 2 13.905 -1.338 -1.739 1.00 0.00 H new ATOM 0 HG21 THR A 2 11.575 0.340 -2.097 1.00 0.00 H new ATOM 0 HG22 THR A 2 10.815 0.597 -0.508 1.00 0.00 H new ATOM 0 HG23 THR A 2 12.257 1.534 -0.967 1.00 0.00 H new ATOM 34 N THR A 3 11.372 0.753 2.635 1.00 0.00 N ATOM 35 CA THR A 3 10.131 0.782 3.451 1.00 0.00 C ATOM 36 C THR A 3 9.027 1.552 2.719 1.00 0.00 C ATOM 37 O THR A 3 9.038 2.768 2.668 1.00 0.00 O ATOM 38 CB THR A 3 10.523 1.502 4.743 1.00 0.00 C ATOM 39 OG1 THR A 3 11.795 1.038 5.176 1.00 0.00 O ATOM 40 CG2 THR A 3 9.480 1.218 5.824 1.00 0.00 C ATOM 0 H THR A 3 11.987 1.558 2.759 1.00 0.00 H new ATOM 0 HA THR A 3 9.742 -0.218 3.643 1.00 0.00 H new ATOM 0 HB THR A 3 10.571 2.576 4.560 1.00 0.00 H new ATOM 0 HG1 THR A 3 12.048 1.500 6.003 1.00 0.00 H new ATOM 0 HG21 THR A 3 9.760 1.731 6.744 1.00 0.00 H new ATOM 0 HG22 THR A 3 8.505 1.575 5.492 1.00 0.00 H new ATOM 0 HG23 THR A 3 9.430 0.145 6.008 1.00 0.00 H new ATOM 48 N PHE A 4 8.076 0.852 2.154 1.00 0.00 N ATOM 49 CA PHE A 4 6.966 1.536 1.424 1.00 0.00 C ATOM 50 C PHE A 4 5.872 1.966 2.408 1.00 0.00 C ATOM 51 O PHE A 4 5.973 1.731 3.598 1.00 0.00 O ATOM 52 CB PHE A 4 6.425 0.487 0.453 1.00 0.00 C ATOM 53 CG PHE A 4 7.425 0.236 -0.647 1.00 0.00 C ATOM 54 CD1 PHE A 4 7.437 1.049 -1.786 1.00 0.00 C ATOM 55 CD2 PHE A 4 8.334 -0.821 -0.530 1.00 0.00 C ATOM 56 CE1 PHE A 4 8.360 0.803 -2.809 1.00 0.00 C ATOM 57 CE2 PHE A 4 9.257 -1.065 -1.551 1.00 0.00 C ATOM 58 CZ PHE A 4 9.269 -0.254 -2.690 1.00 0.00 C ATOM 0 H PHE A 4 8.021 -0.166 2.167 1.00 0.00 H new ATOM 0 HA PHE A 4 7.304 2.435 0.909 1.00 0.00 H new ATOM 0 HB2 PHE A 4 6.218 -0.441 0.986 1.00 0.00 H new ATOM 0 HB3 PHE A 4 5.481 0.827 0.027 1.00 0.00 H new ATOM 0 HD1 PHE A 4 6.735 1.865 -1.875 1.00 0.00 H new ATOM 0 HD2 PHE A 4 8.323 -1.448 0.349 1.00 0.00 H new ATOM 0 HE1 PHE A 4 8.371 1.428 -3.689 1.00 0.00 H new ATOM 0 HE2 PHE A 4 9.960 -1.879 -1.460 1.00 0.00 H new ATOM 0 HZ PHE A 4 9.981 -0.444 -3.479 1.00 0.00 H new ATOM 68 N LYS A 5 4.829 2.591 1.919 1.00 0.00 N ATOM 69 CA LYS A 5 3.724 3.038 2.823 1.00 0.00 C ATOM 70 C LYS A 5 2.371 2.937 2.108 1.00 0.00 C ATOM 71 O LYS A 5 2.096 3.666 1.174 1.00 0.00 O ATOM 72 CB LYS A 5 4.049 4.496 3.152 1.00 0.00 C ATOM 73 CG LYS A 5 3.480 4.849 4.528 1.00 0.00 C ATOM 74 CD LYS A 5 4.120 6.147 5.029 1.00 0.00 C ATOM 75 CE LYS A 5 5.303 5.817 5.943 1.00 0.00 C ATOM 76 NZ LYS A 5 6.151 7.042 5.930 1.00 0.00 N ATOM 0 H LYS A 5 4.695 2.811 0.932 1.00 0.00 H new ATOM 0 HA LYS A 5 3.652 2.422 3.719 1.00 0.00 H new ATOM 0 HB2 LYS A 5 5.128 4.650 3.143 1.00 0.00 H new ATOM 0 HB3 LYS A 5 3.627 5.154 2.393 1.00 0.00 H new ATOM 0 HG2 LYS A 5 2.398 4.965 4.467 1.00 0.00 H new ATOM 0 HG3 LYS A 5 3.675 4.040 5.232 1.00 0.00 H new ATOM 0 HD2 LYS A 5 4.457 6.748 4.184 1.00 0.00 H new ATOM 0 HD3 LYS A 5 3.384 6.742 5.570 1.00 0.00 H new ATOM 0 HE2 LYS A 5 4.968 5.579 6.953 1.00 0.00 H new ATOM 0 HE3 LYS A 5 5.855 4.951 5.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 6.984 6.894 6.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 6.460 7.240 4.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 5.601 7.849 6.289 1.00 0.00 H new ATOM 90 N LEU A 6 1.526 2.036 2.543 1.00 0.00 N ATOM 91 CA LEU A 6 0.187 1.878 1.895 1.00 0.00 C ATOM 92 C LEU A 6 -0.858 2.731 2.619 1.00 0.00 C ATOM 93 O LEU A 6 -1.222 2.444 3.745 1.00 0.00 O ATOM 94 CB LEU A 6 -0.157 0.385 2.059 1.00 0.00 C ATOM 95 CG LEU A 6 -1.101 -0.165 0.945 1.00 0.00 C ATOM 96 CD1 LEU A 6 -2.171 -1.048 1.592 1.00 0.00 C ATOM 97 CD2 LEU A 6 -1.811 0.947 0.145 1.00 0.00 C ATOM 0 H LEU A 6 1.706 1.401 3.321 1.00 0.00 H new ATOM 0 HA LEU A 6 0.198 2.193 0.852 1.00 0.00 H new ATOM 0 HB2 LEU A 6 0.766 -0.194 2.059 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.628 0.234 3.030 1.00 0.00 H new ATOM 0 HG LEU A 6 -0.476 -0.724 0.248 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -2.836 -1.437 0.821 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -1.692 -1.878 2.112 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -2.748 -0.458 2.305 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -2.452 0.497 -0.613 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -2.417 1.551 0.820 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -1.066 1.580 -0.338 1.00 0.00 H new ATOM 109 N ILE A 7 -1.355 3.765 1.984 1.00 0.00 N ATOM 110 CA ILE A 7 -2.390 4.614 2.646 1.00 0.00 C ATOM 111 C ILE A 7 -3.658 3.772 2.861 1.00 0.00 C ATOM 112 O ILE A 7 -3.734 2.643 2.411 1.00 0.00 O ATOM 113 CB ILE A 7 -2.609 5.816 1.691 1.00 0.00 C ATOM 114 CG1 ILE A 7 -2.946 7.054 2.520 1.00 0.00 C ATOM 115 CG2 ILE A 7 -3.744 5.561 0.684 1.00 0.00 C ATOM 116 CD1 ILE A 7 -2.646 8.311 1.702 1.00 0.00 C ATOM 0 H ILE A 7 -1.090 4.055 1.043 1.00 0.00 H new ATOM 0 HA ILE A 7 -2.098 4.979 3.630 1.00 0.00 H new ATOM 0 HB ILE A 7 -1.690 5.963 1.124 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -3.997 7.037 2.808 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -2.363 7.058 3.441 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -3.859 6.431 0.037 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -3.503 4.688 0.078 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -4.675 5.384 1.222 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -2.886 9.195 2.292 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -1.589 8.328 1.436 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -3.249 8.307 0.794 1.00 0.00 H new ATOM 128 N ILE A 8 -4.645 4.302 3.538 1.00 0.00 N ATOM 129 CA ILE A 8 -5.889 3.511 3.767 1.00 0.00 C ATOM 130 C ILE A 8 -7.131 4.369 3.505 1.00 0.00 C ATOM 131 O ILE A 8 -7.816 4.775 4.424 1.00 0.00 O ATOM 132 CB ILE A 8 -5.824 3.075 5.234 1.00 0.00 C ATOM 133 CG1 ILE A 8 -4.549 2.255 5.476 1.00 0.00 C ATOM 134 CG2 ILE A 8 -7.044 2.214 5.568 1.00 0.00 C ATOM 135 CD1 ILE A 8 -4.419 1.933 6.966 1.00 0.00 C ATOM 0 H ILE A 8 -4.643 5.240 3.938 1.00 0.00 H new ATOM 0 HA ILE A 8 -5.959 2.656 3.095 1.00 0.00 H new ATOM 0 HB ILE A 8 -5.814 3.961 5.869 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -4.583 1.333 4.896 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -3.676 2.813 5.137 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -6.996 1.905 6.612 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -7.953 2.792 5.402 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -7.053 1.332 4.928 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -3.513 1.351 7.135 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -4.365 2.861 7.535 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -5.286 1.358 7.291 1.00 0.00 H new ATOM 147 N ASN A 9 -7.436 4.631 2.258 1.00 0.00 N ATOM 148 CA ASN A 9 -8.649 5.443 1.941 1.00 0.00 C ATOM 149 C ASN A 9 -9.808 4.495 1.622 1.00 0.00 C ATOM 150 O ASN A 9 -10.480 4.626 0.617 1.00 0.00 O ATOM 151 CB ASN A 9 -8.267 6.287 0.719 1.00 0.00 C ATOM 152 CG ASN A 9 -8.219 7.768 1.107 1.00 0.00 C ATOM 153 OD1 ASN A 9 -8.996 8.219 1.925 1.00 0.00 O ATOM 154 ND2 ASN A 9 -7.332 8.546 0.550 1.00 0.00 N ATOM 0 H ASN A 9 -6.899 4.318 1.449 1.00 0.00 H new ATOM 0 HA ASN A 9 -8.966 6.081 2.766 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -7.297 5.970 0.335 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -8.991 6.134 -0.081 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -7.290 9.534 0.801 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -6.680 8.166 -0.137 1.00 0.00 H new ATOM 161 N GLY A 10 -10.028 3.531 2.478 1.00 0.00 N ATOM 162 CA GLY A 10 -11.124 2.547 2.249 1.00 0.00 C ATOM 163 C GLY A 10 -12.249 2.771 3.256 1.00 0.00 C ATOM 164 O GLY A 10 -12.058 3.378 4.293 1.00 0.00 O ATOM 0 H GLY A 10 -9.490 3.384 3.332 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -11.508 2.649 1.234 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -10.738 1.532 2.343 1.00 0.00 H new ATOM 168 N LYS A 11 -13.418 2.267 2.960 1.00 0.00 N ATOM 169 CA LYS A 11 -14.567 2.425 3.898 1.00 0.00 C ATOM 170 C LYS A 11 -14.451 1.429 5.062 1.00 0.00 C ATOM 171 O LYS A 11 -15.220 1.484 6.004 1.00 0.00 O ATOM 172 CB LYS A 11 -15.811 2.123 3.059 1.00 0.00 C ATOM 173 CG LYS A 11 -15.931 3.152 1.933 1.00 0.00 C ATOM 174 CD LYS A 11 -17.341 3.100 1.342 1.00 0.00 C ATOM 175 CE LYS A 11 -17.530 1.782 0.586 1.00 0.00 C ATOM 176 NZ LYS A 11 -17.056 2.061 -0.798 1.00 0.00 N ATOM 0 H LYS A 11 -13.627 1.751 2.105 1.00 0.00 H new ATOM 0 HA LYS A 11 -14.602 3.422 4.337 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -15.746 1.118 2.642 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -16.701 2.150 3.687 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -15.722 4.151 2.315 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -15.193 2.946 1.158 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -18.083 3.186 2.136 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -17.496 3.943 0.669 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -16.956 0.978 1.045 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -18.575 1.471 0.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -17.232 1.231 -1.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -17.568 2.881 -1.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -16.037 2.266 -0.781 1.00 0.00 H new ATOM 190 N THR A 12 -13.504 0.516 5.008 1.00 0.00 N ATOM 191 CA THR A 12 -13.356 -0.476 6.113 1.00 0.00 C ATOM 192 C THR A 12 -12.256 -0.041 7.088 1.00 0.00 C ATOM 193 O THR A 12 -12.270 -0.412 8.247 1.00 0.00 O ATOM 194 CB THR A 12 -12.993 -1.796 5.422 1.00 0.00 C ATOM 195 OG1 THR A 12 -12.855 -2.816 6.402 1.00 0.00 O ATOM 196 CG2 THR A 12 -11.679 -1.653 4.648 1.00 0.00 C ATOM 0 H THR A 12 -12.832 0.420 4.247 1.00 0.00 H new ATOM 0 HA THR A 12 -14.267 -0.569 6.704 1.00 0.00 H new ATOM 0 HB THR A 12 -13.786 -2.057 4.721 1.00 0.00 H new ATOM 0 HG1 THR A 12 -12.624 -3.662 5.964 1.00 0.00 H new ATOM 0 HG21 THR A 12 -11.437 -2.599 4.164 1.00 0.00 H new ATOM 0 HG22 THR A 12 -11.785 -0.875 3.892 1.00 0.00 H new ATOM 0 HG23 THR A 12 -10.879 -1.383 5.337 1.00 0.00 H new ATOM 204 N LEU A 13 -11.305 0.738 6.631 1.00 0.00 N ATOM 205 CA LEU A 13 -10.208 1.187 7.543 1.00 0.00 C ATOM 206 C LEU A 13 -9.679 2.561 7.120 1.00 0.00 C ATOM 207 O LEU A 13 -9.937 3.025 6.025 1.00 0.00 O ATOM 208 CB LEU A 13 -9.122 0.120 7.405 1.00 0.00 C ATOM 209 CG LEU A 13 -8.450 -0.102 8.760 1.00 0.00 C ATOM 210 CD1 LEU A 13 -9.380 -0.912 9.665 1.00 0.00 C ATOM 211 CD2 LEU A 13 -7.140 -0.868 8.559 1.00 0.00 C ATOM 0 H LEU A 13 -11.241 1.080 5.672 1.00 0.00 H new ATOM 0 HA LEU A 13 -10.548 1.294 8.573 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -9.557 -0.813 7.046 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -8.383 0.432 6.667 1.00 0.00 H new ATOM 0 HG LEU A 13 -8.241 0.862 9.224 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -8.901 -1.070 10.631 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -10.313 -0.368 9.808 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -9.590 -1.876 9.202 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -6.660 -1.027 9.524 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -7.350 -1.832 8.095 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -6.477 -0.291 7.914 1.00 0.00 H new ATOM 223 N LYS A 14 -8.945 3.214 7.987 1.00 0.00 N ATOM 224 CA LYS A 14 -8.396 4.563 7.651 1.00 0.00 C ATOM 225 C LYS A 14 -7.047 4.779 8.345 1.00 0.00 C ATOM 226 O LYS A 14 -6.860 4.397 9.485 1.00 0.00 O ATOM 227 CB LYS A 14 -9.435 5.551 8.181 1.00 0.00 C ATOM 228 CG LYS A 14 -9.248 6.905 7.495 1.00 0.00 C ATOM 229 CD LYS A 14 -8.193 7.718 8.248 1.00 0.00 C ATOM 230 CE LYS A 14 -8.534 9.207 8.160 1.00 0.00 C ATOM 231 NZ LYS A 14 -8.126 9.772 9.477 1.00 0.00 N ATOM 0 H LYS A 14 -8.702 2.869 8.916 1.00 0.00 H new ATOM 0 HA LYS A 14 -8.222 4.683 6.582 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -10.440 5.173 7.995 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -9.331 5.661 9.260 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -8.940 6.760 6.459 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -10.193 7.447 7.474 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -8.154 7.405 9.291 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -7.206 7.535 7.823 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -7.998 9.687 7.341 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -9.598 9.359 7.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -8.328 10.792 9.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -8.657 9.300 10.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -7.107 9.619 9.620 1.00 0.00 H new ATOM 245 N GLY A 15 -6.107 5.387 7.663 1.00 0.00 N ATOM 246 CA GLY A 15 -4.768 5.631 8.275 1.00 0.00 C ATOM 247 C GLY A 15 -3.673 5.214 7.292 1.00 0.00 C ATOM 248 O GLY A 15 -3.813 5.369 6.093 1.00 0.00 O ATOM 0 H GLY A 15 -6.212 5.725 6.706 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -4.660 6.685 8.530 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -4.672 5.067 9.203 1.00 0.00 H new ATOM 252 N GLU A 16 -2.583 4.685 7.791 1.00 0.00 N ATOM 253 CA GLU A 16 -1.472 4.256 6.889 1.00 0.00 C ATOM 254 C GLU A 16 -0.829 2.969 7.414 1.00 0.00 C ATOM 255 O GLU A 16 -1.110 2.529 8.513 1.00 0.00 O ATOM 256 CB GLU A 16 -0.468 5.409 6.923 1.00 0.00 C ATOM 257 CG GLU A 16 -0.943 6.529 5.996 1.00 0.00 C ATOM 258 CD GLU A 16 -0.150 7.804 6.290 1.00 0.00 C ATOM 259 OE1 GLU A 16 1.062 7.713 6.396 1.00 0.00 O ATOM 260 OE2 GLU A 16 -0.768 8.849 6.406 1.00 0.00 O ATOM 0 H GLU A 16 -2.415 4.532 8.785 1.00 0.00 H new ATOM 0 HA GLU A 16 -1.819 4.046 5.877 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -0.365 5.785 7.941 1.00 0.00 H new ATOM 0 HB3 GLU A 16 0.516 5.058 6.611 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -0.808 6.236 4.955 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -2.008 6.709 6.141 1.00 0.00 H new ATOM 267 N THR A 17 0.031 2.367 6.633 1.00 0.00 N ATOM 268 CA THR A 17 0.700 1.107 7.075 1.00 0.00 C ATOM 269 C THR A 17 2.143 1.068 6.565 1.00 0.00 C ATOM 270 O THR A 17 2.503 1.781 5.647 1.00 0.00 O ATOM 271 CB THR A 17 -0.124 -0.019 6.448 1.00 0.00 C ATOM 272 OG1 THR A 17 -1.507 0.267 6.605 1.00 0.00 O ATOM 273 CG2 THR A 17 0.208 -1.342 7.137 1.00 0.00 C ATOM 0 H THR A 17 0.299 2.695 5.705 1.00 0.00 H new ATOM 0 HA THR A 17 0.746 1.021 8.161 1.00 0.00 H new ATOM 0 HB THR A 17 0.113 -0.097 5.387 1.00 0.00 H new ATOM 0 HG1 THR A 17 -2.034 -0.362 6.069 1.00 0.00 H new ATOM 0 HG21 THR A 17 -0.380 -2.143 6.689 1.00 0.00 H new ATOM 0 HG22 THR A 17 1.269 -1.559 7.016 1.00 0.00 H new ATOM 0 HG23 THR A 17 -0.028 -1.269 8.199 1.00 0.00 H new ATOM 281 N THR A 18 2.970 0.242 7.156 1.00 0.00 N ATOM 282 CA THR A 18 4.393 0.155 6.712 1.00 0.00 C ATOM 283 C THR A 18 4.900 -1.286 6.823 1.00 0.00 C ATOM 284 O THR A 18 4.450 -2.050 7.655 1.00 0.00 O ATOM 285 CB THR A 18 5.163 1.066 7.670 1.00 0.00 C ATOM 286 OG1 THR A 18 4.722 0.831 9.000 1.00 0.00 O ATOM 287 CG2 THR A 18 4.915 2.529 7.299 1.00 0.00 C ATOM 0 H THR A 18 2.720 -0.376 7.928 1.00 0.00 H new ATOM 0 HA THR A 18 4.517 0.455 5.671 1.00 0.00 H new ATOM 0 HB THR A 18 6.229 0.852 7.596 1.00 0.00 H new ATOM 0 HG1 THR A 18 5.215 1.412 9.616 1.00 0.00 H new ATOM 0 HG21 THR A 18 5.464 3.176 7.983 1.00 0.00 H new ATOM 0 HG22 THR A 18 5.254 2.708 6.279 1.00 0.00 H new ATOM 0 HG23 THR A 18 3.849 2.747 7.371 1.00 0.00 H new ATOM 295 N THR A 19 5.838 -1.656 5.989 1.00 0.00 N ATOM 296 CA THR A 19 6.390 -3.044 6.035 1.00 0.00 C ATOM 297 C THR A 19 7.801 -3.069 5.436 1.00 0.00 C ATOM 298 O THR A 19 8.214 -2.141 4.765 1.00 0.00 O ATOM 299 CB THR A 19 5.425 -3.892 5.197 1.00 0.00 C ATOM 300 OG1 THR A 19 5.878 -5.238 5.181 1.00 0.00 O ATOM 301 CG2 THR A 19 5.362 -3.359 3.761 1.00 0.00 C ATOM 0 H THR A 19 6.247 -1.054 5.275 1.00 0.00 H new ATOM 0 HA THR A 19 6.472 -3.423 7.054 1.00 0.00 H new ATOM 0 HB THR A 19 4.429 -3.840 5.638 1.00 0.00 H new ATOM 0 HG1 THR A 19 5.609 -5.664 4.340 1.00 0.00 H new ATOM 0 HG21 THR A 19 4.674 -3.969 3.176 1.00 0.00 H new ATOM 0 HG22 THR A 19 5.013 -2.327 3.771 1.00 0.00 H new ATOM 0 HG23 THR A 19 6.355 -3.402 3.313 1.00 0.00 H new ATOM 309 N GLU A 20 8.540 -4.122 5.676 1.00 0.00 N ATOM 310 CA GLU A 20 9.925 -4.212 5.124 1.00 0.00 C ATOM 311 C GLU A 20 9.920 -4.981 3.800 1.00 0.00 C ATOM 312 O GLU A 20 9.711 -6.179 3.769 1.00 0.00 O ATOM 313 CB GLU A 20 10.726 -4.971 6.182 1.00 0.00 C ATOM 314 CG GLU A 20 11.158 -4.005 7.288 1.00 0.00 C ATOM 315 CD GLU A 20 11.912 -4.774 8.375 1.00 0.00 C ATOM 316 OE1 GLU A 20 11.379 -5.763 8.852 1.00 0.00 O ATOM 317 OE2 GLU A 20 13.009 -4.362 8.712 1.00 0.00 O ATOM 0 H GLU A 20 8.243 -4.924 6.231 1.00 0.00 H new ATOM 0 HA GLU A 20 10.350 -3.230 4.918 1.00 0.00 H new ATOM 0 HB2 GLU A 20 10.122 -5.775 6.603 1.00 0.00 H new ATOM 0 HB3 GLU A 20 11.602 -5.434 5.727 1.00 0.00 H new ATOM 0 HG2 GLU A 20 11.794 -3.223 6.874 1.00 0.00 H new ATOM 0 HG3 GLU A 20 10.285 -3.512 7.716 1.00 0.00 H new ATOM 324 N ALA A 21 10.151 -4.296 2.708 1.00 0.00 N ATOM 325 CA ALA A 21 10.165 -4.974 1.379 1.00 0.00 C ATOM 326 C ALA A 21 11.375 -4.509 0.569 1.00 0.00 C ATOM 327 O ALA A 21 11.760 -3.356 0.625 1.00 0.00 O ATOM 328 CB ALA A 21 8.869 -4.537 0.695 1.00 0.00 C ATOM 0 H ALA A 21 10.331 -3.292 2.682 1.00 0.00 H new ATOM 0 HA ALA A 21 10.233 -6.058 1.469 1.00 0.00 H new ATOM 0 HB1 ALA A 21 8.806 -4.996 -0.292 1.00 0.00 H new ATOM 0 HB2 ALA A 21 8.016 -4.851 1.297 1.00 0.00 H new ATOM 0 HB3 ALA A 21 8.860 -3.452 0.592 1.00 0.00 H new ATOM 334 N VAL A 22 11.977 -5.395 -0.186 1.00 0.00 N ATOM 335 CA VAL A 22 13.161 -5.009 -1.006 1.00 0.00 C ATOM 336 C VAL A 22 12.798 -3.857 -1.953 1.00 0.00 C ATOM 337 O VAL A 22 13.578 -2.949 -2.170 1.00 0.00 O ATOM 338 CB VAL A 22 13.527 -6.273 -1.794 1.00 0.00 C ATOM 339 CG1 VAL A 22 13.870 -7.405 -0.822 1.00 0.00 C ATOM 340 CG2 VAL A 22 12.352 -6.705 -2.681 1.00 0.00 C ATOM 0 H VAL A 22 11.696 -6.372 -0.268 1.00 0.00 H new ATOM 0 HA VAL A 22 13.994 -4.660 -0.395 1.00 0.00 H new ATOM 0 HB VAL A 22 14.389 -6.055 -2.424 1.00 0.00 H new ATOM 0 HG11 VAL A 22 14.130 -8.302 -1.385 1.00 0.00 H new ATOM 0 HG12 VAL A 22 14.716 -7.108 -0.202 1.00 0.00 H new ATOM 0 HG13 VAL A 22 13.009 -7.612 -0.186 1.00 0.00 H new ATOM 0 HG21 VAL A 22 12.625 -7.603 -3.235 1.00 0.00 H new ATOM 0 HG22 VAL A 22 11.483 -6.914 -2.057 1.00 0.00 H new ATOM 0 HG23 VAL A 22 12.112 -5.906 -3.382 1.00 0.00 H new ATOM 350 N ASP A 23 11.612 -3.891 -2.508 1.00 0.00 N ATOM 351 CA ASP A 23 11.171 -2.806 -3.436 1.00 0.00 C ATOM 352 C ASP A 23 9.695 -3.001 -3.797 1.00 0.00 C ATOM 353 O ASP A 23 9.008 -3.816 -3.211 1.00 0.00 O ATOM 354 CB ASP A 23 12.055 -2.947 -4.681 1.00 0.00 C ATOM 355 CG ASP A 23 12.540 -1.566 -5.128 1.00 0.00 C ATOM 356 OD1 ASP A 23 11.775 -0.623 -5.009 1.00 0.00 O ATOM 357 OD2 ASP A 23 13.669 -1.475 -5.582 1.00 0.00 O ATOM 0 H ASP A 23 10.926 -4.630 -2.356 1.00 0.00 H new ATOM 0 HA ASP A 23 11.267 -1.816 -2.989 1.00 0.00 H new ATOM 0 HB2 ASP A 23 12.908 -3.589 -4.462 1.00 0.00 H new ATOM 0 HB3 ASP A 23 11.494 -3.424 -5.485 1.00 0.00 H new ATOM 362 N ALA A 24 9.203 -2.253 -4.753 1.00 0.00 N ATOM 363 CA ALA A 24 7.769 -2.381 -5.156 1.00 0.00 C ATOM 364 C ALA A 24 7.430 -3.829 -5.541 1.00 0.00 C ATOM 365 O ALA A 24 6.283 -4.232 -5.508 1.00 0.00 O ATOM 366 CB ALA A 24 7.607 -1.457 -6.366 1.00 0.00 C ATOM 0 H ALA A 24 9.736 -1.556 -5.274 1.00 0.00 H new ATOM 0 HA ALA A 24 7.099 -2.113 -4.339 1.00 0.00 H new ATOM 0 HB1 ALA A 24 6.577 -1.498 -6.719 1.00 0.00 H new ATOM 0 HB2 ALA A 24 7.852 -0.435 -6.078 1.00 0.00 H new ATOM 0 HB3 ALA A 24 8.277 -1.780 -7.163 1.00 0.00 H new ATOM 372 N ALA A 25 8.418 -4.607 -5.910 1.00 0.00 N ATOM 373 CA ALA A 25 8.152 -6.027 -6.303 1.00 0.00 C ATOM 374 C ALA A 25 7.577 -6.814 -5.120 1.00 0.00 C ATOM 375 O ALA A 25 6.850 -7.772 -5.300 1.00 0.00 O ATOM 376 CB ALA A 25 9.513 -6.595 -6.710 1.00 0.00 C ATOM 0 H ALA A 25 9.396 -4.321 -5.956 1.00 0.00 H new ATOM 0 HA ALA A 25 7.424 -6.094 -7.111 1.00 0.00 H new ATOM 0 HB1 ALA A 25 9.397 -7.636 -7.012 1.00 0.00 H new ATOM 0 HB2 ALA A 25 9.914 -6.018 -7.544 1.00 0.00 H new ATOM 0 HB3 ALA A 25 10.199 -6.536 -5.865 1.00 0.00 H new ATOM 382 N THR A 26 7.903 -6.420 -3.914 1.00 0.00 N ATOM 383 CA THR A 26 7.383 -7.149 -2.717 1.00 0.00 C ATOM 384 C THR A 26 6.442 -6.253 -1.904 1.00 0.00 C ATOM 385 O THR A 26 5.578 -6.734 -1.194 1.00 0.00 O ATOM 386 CB THR A 26 8.626 -7.498 -1.897 1.00 0.00 C ATOM 387 OG1 THR A 26 9.587 -8.120 -2.740 1.00 0.00 O ATOM 388 CG2 THR A 26 8.242 -8.452 -0.766 1.00 0.00 C ATOM 0 H THR A 26 8.507 -5.625 -3.707 1.00 0.00 H new ATOM 0 HA THR A 26 6.810 -8.034 -2.996 1.00 0.00 H new ATOM 0 HB THR A 26 9.050 -6.588 -1.472 1.00 0.00 H new ATOM 0 HG1 THR A 26 10.127 -8.746 -2.214 1.00 0.00 H new ATOM 0 HG21 THR A 26 9.129 -8.700 -0.182 1.00 0.00 H new ATOM 0 HG22 THR A 26 7.505 -7.974 -0.121 1.00 0.00 H new ATOM 0 HG23 THR A 26 7.818 -9.364 -1.187 1.00 0.00 H new ATOM 396 N ALA A 27 6.606 -4.958 -1.998 1.00 0.00 N ATOM 397 CA ALA A 27 5.726 -4.025 -1.226 1.00 0.00 C ATOM 398 C ALA A 27 4.254 -4.238 -1.599 1.00 0.00 C ATOM 399 O ALA A 27 3.444 -4.608 -0.770 1.00 0.00 O ATOM 400 CB ALA A 27 6.183 -2.623 -1.627 1.00 0.00 C ATOM 0 H ALA A 27 7.313 -4.504 -2.577 1.00 0.00 H new ATOM 0 HA ALA A 27 5.803 -4.188 -0.151 1.00 0.00 H new ATOM 0 HB1 ALA A 27 5.583 -1.880 -1.101 1.00 0.00 H new ATOM 0 HB2 ALA A 27 7.233 -2.494 -1.364 1.00 0.00 H new ATOM 0 HB3 ALA A 27 6.059 -2.494 -2.702 1.00 0.00 H new ATOM 406 N GLU A 28 3.905 -4.009 -2.841 1.00 0.00 N ATOM 407 CA GLU A 28 2.483 -4.198 -3.277 1.00 0.00 C ATOM 408 C GLU A 28 2.027 -5.632 -3.005 1.00 0.00 C ATOM 409 O GLU A 28 0.949 -5.854 -2.499 1.00 0.00 O ATOM 410 CB GLU A 28 2.479 -3.915 -4.781 1.00 0.00 C ATOM 411 CG GLU A 28 1.189 -3.185 -5.161 1.00 0.00 C ATOM 412 CD GLU A 28 0.794 -3.558 -6.591 1.00 0.00 C ATOM 413 OE1 GLU A 28 0.943 -4.716 -6.943 1.00 0.00 O ATOM 414 OE2 GLU A 28 0.349 -2.678 -7.310 1.00 0.00 O ATOM 0 H GLU A 28 4.543 -3.699 -3.574 1.00 0.00 H new ATOM 0 HA GLU A 28 1.803 -3.540 -2.737 1.00 0.00 H new ATOM 0 HB2 GLU A 28 3.344 -3.309 -5.050 1.00 0.00 H new ATOM 0 HB3 GLU A 28 2.558 -4.849 -5.338 1.00 0.00 H new ATOM 0 HG2 GLU A 28 0.390 -3.453 -4.470 1.00 0.00 H new ATOM 0 HG3 GLU A 28 1.331 -2.107 -5.081 1.00 0.00 H new ATOM 421 N LYS A 29 2.840 -6.605 -3.333 1.00 0.00 N ATOM 422 CA LYS A 29 2.449 -8.034 -3.092 1.00 0.00 C ATOM 423 C LYS A 29 2.036 -8.245 -1.628 1.00 0.00 C ATOM 424 O LYS A 29 1.044 -8.889 -1.340 1.00 0.00 O ATOM 425 CB LYS A 29 3.700 -8.852 -3.419 1.00 0.00 C ATOM 426 CG LYS A 29 4.033 -8.700 -4.904 1.00 0.00 C ATOM 427 CD LYS A 29 4.839 -9.912 -5.374 1.00 0.00 C ATOM 428 CE LYS A 29 5.062 -9.824 -6.885 1.00 0.00 C ATOM 429 NZ LYS A 29 5.457 -11.200 -7.295 1.00 0.00 N ATOM 0 H LYS A 29 3.758 -6.475 -3.757 1.00 0.00 H new ATOM 0 HA LYS A 29 1.596 -8.329 -3.703 1.00 0.00 H new ATOM 0 HB2 LYS A 29 4.539 -8.513 -2.811 1.00 0.00 H new ATOM 0 HB3 LYS A 29 3.535 -9.902 -3.178 1.00 0.00 H new ATOM 0 HG2 LYS A 29 3.116 -8.612 -5.486 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.603 -7.785 -5.068 1.00 0.00 H new ATOM 0 HD2 LYS A 29 5.797 -9.947 -4.856 1.00 0.00 H new ATOM 0 HD3 LYS A 29 4.309 -10.832 -5.127 1.00 0.00 H new ATOM 0 HE2 LYS A 29 4.157 -9.503 -7.400 1.00 0.00 H new ATOM 0 HE3 LYS A 29 5.840 -9.101 -7.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 5.628 -11.221 -8.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 6.326 -11.476 -6.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 4.694 -11.866 -7.057 1.00 0.00 H new ATOM 443 N VAL A 30 2.788 -7.697 -0.707 1.00 0.00 N ATOM 444 CA VAL A 30 2.446 -7.854 0.739 1.00 0.00 C ATOM 445 C VAL A 30 1.309 -6.898 1.115 1.00 0.00 C ATOM 446 O VAL A 30 0.339 -7.291 1.737 1.00 0.00 O ATOM 447 CB VAL A 30 3.734 -7.493 1.492 1.00 0.00 C ATOM 448 CG1 VAL A 30 3.485 -7.513 3.005 1.00 0.00 C ATOM 449 CG2 VAL A 30 4.824 -8.510 1.145 1.00 0.00 C ATOM 0 H VAL A 30 3.626 -7.146 -0.895 1.00 0.00 H new ATOM 0 HA VAL A 30 2.106 -8.861 0.981 1.00 0.00 H new ATOM 0 HB VAL A 30 4.051 -6.493 1.197 1.00 0.00 H new ATOM 0 HG11 VAL A 30 4.406 -7.255 3.529 1.00 0.00 H new ATOM 0 HG12 VAL A 30 2.710 -6.789 3.256 1.00 0.00 H new ATOM 0 HG13 VAL A 30 3.162 -8.509 3.307 1.00 0.00 H new ATOM 0 HG21 VAL A 30 5.741 -8.257 1.678 1.00 0.00 H new ATOM 0 HG22 VAL A 30 4.497 -9.508 1.438 1.00 0.00 H new ATOM 0 HG23 VAL A 30 5.011 -8.490 0.071 1.00 0.00 H new ATOM 459 N PHE A 31 1.428 -5.647 0.750 1.00 0.00 N ATOM 460 CA PHE A 31 0.359 -4.664 1.095 1.00 0.00 C ATOM 461 C PHE A 31 -0.960 -5.063 0.433 1.00 0.00 C ATOM 462 O PHE A 31 -2.026 -4.817 0.966 1.00 0.00 O ATOM 463 CB PHE A 31 0.851 -3.314 0.561 1.00 0.00 C ATOM 464 CG PHE A 31 1.671 -2.602 1.620 1.00 0.00 C ATOM 465 CD1 PHE A 31 1.185 -2.479 2.931 1.00 0.00 C ATOM 466 CD2 PHE A 31 2.916 -2.056 1.285 1.00 0.00 C ATOM 467 CE1 PHE A 31 1.944 -1.814 3.901 1.00 0.00 C ATOM 468 CE2 PHE A 31 3.674 -1.392 2.257 1.00 0.00 C ATOM 469 CZ PHE A 31 3.188 -1.270 3.564 1.00 0.00 C ATOM 0 H PHE A 31 2.218 -5.265 0.229 1.00 0.00 H new ATOM 0 HA PHE A 31 0.174 -4.623 2.168 1.00 0.00 H new ATOM 0 HB2 PHE A 31 1.453 -3.466 -0.335 1.00 0.00 H new ATOM 0 HB3 PHE A 31 0.000 -2.696 0.272 1.00 0.00 H new ATOM 0 HD1 PHE A 31 0.224 -2.898 3.192 1.00 0.00 H new ATOM 0 HD2 PHE A 31 3.292 -2.147 0.277 1.00 0.00 H new ATOM 0 HE1 PHE A 31 1.569 -1.721 4.910 1.00 0.00 H new ATOM 0 HE2 PHE A 31 4.635 -0.973 1.998 1.00 0.00 H new ATOM 0 HZ PHE A 31 3.773 -0.756 4.312 1.00 0.00 H new ATOM 479 N LYS A 32 -0.900 -5.689 -0.718 1.00 0.00 N ATOM 480 CA LYS A 32 -2.159 -6.114 -1.396 1.00 0.00 C ATOM 481 C LYS A 32 -2.856 -7.166 -0.533 1.00 0.00 C ATOM 482 O LYS A 32 -4.063 -7.169 -0.390 1.00 0.00 O ATOM 483 CB LYS A 32 -1.736 -6.713 -2.739 1.00 0.00 C ATOM 484 CG LYS A 32 -1.628 -5.599 -3.783 1.00 0.00 C ATOM 485 CD LYS A 32 -1.394 -6.213 -5.165 1.00 0.00 C ATOM 486 CE LYS A 32 -2.739 -6.600 -5.785 1.00 0.00 C ATOM 487 NZ LYS A 32 -2.496 -6.604 -7.254 1.00 0.00 N ATOM 0 H LYS A 32 -0.039 -5.921 -1.212 1.00 0.00 H new ATOM 0 HA LYS A 32 -2.852 -5.285 -1.543 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -0.779 -7.224 -2.636 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -2.462 -7.459 -3.061 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -2.540 -5.002 -3.789 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -0.809 -4.927 -3.529 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -0.876 -5.501 -5.808 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -0.754 -7.091 -5.081 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -3.068 -7.579 -5.436 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -3.518 -5.887 -5.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -3.373 -6.861 -7.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -2.191 -5.657 -7.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -1.754 -7.297 -7.481 1.00 0.00 H new ATOM 501 N GLN A 33 -2.089 -8.051 0.057 1.00 0.00 N ATOM 502 CA GLN A 33 -2.687 -9.103 0.936 1.00 0.00 C ATOM 503 C GLN A 33 -3.394 -8.444 2.121 1.00 0.00 C ATOM 504 O GLN A 33 -4.368 -8.951 2.643 1.00 0.00 O ATOM 505 CB GLN A 33 -1.506 -9.952 1.413 1.00 0.00 C ATOM 506 CG GLN A 33 -2.027 -11.237 2.060 1.00 0.00 C ATOM 507 CD GLN A 33 -2.572 -12.169 0.977 1.00 0.00 C ATOM 508 OE1 GLN A 33 -1.822 -12.877 0.335 1.00 0.00 O ATOM 509 NE2 GLN A 33 -3.856 -12.200 0.744 1.00 0.00 N ATOM 0 H GLN A 33 -1.074 -8.090 -0.033 1.00 0.00 H new ATOM 0 HA GLN A 33 -3.428 -9.709 0.415 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -0.856 -10.194 0.572 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -0.906 -9.390 2.129 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -1.226 -11.731 2.610 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -2.810 -11.002 2.781 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -4.487 -11.606 1.282 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -4.229 -12.818 0.023 1.00 0.00 H new ATOM 518 N TYR A 34 -2.907 -7.308 2.530 1.00 0.00 N ATOM 519 CA TYR A 34 -3.533 -6.571 3.669 1.00 0.00 C ATOM 520 C TYR A 34 -4.859 -5.953 3.193 1.00 0.00 C ATOM 521 O TYR A 34 -5.903 -6.176 3.776 1.00 0.00 O ATOM 522 CB TYR A 34 -2.478 -5.504 4.058 1.00 0.00 C ATOM 523 CG TYR A 34 -3.113 -4.282 4.691 1.00 0.00 C ATOM 524 CD1 TYR A 34 -3.446 -4.294 6.047 1.00 0.00 C ATOM 525 CD2 TYR A 34 -3.365 -3.145 3.915 1.00 0.00 C ATOM 526 CE1 TYR A 34 -4.033 -3.165 6.633 1.00 0.00 C ATOM 527 CE2 TYR A 34 -3.951 -2.016 4.497 1.00 0.00 C ATOM 528 CZ TYR A 34 -4.286 -2.025 5.857 1.00 0.00 C ATOM 529 OH TYR A 34 -4.863 -0.913 6.434 1.00 0.00 O ATOM 0 H TYR A 34 -2.092 -6.850 2.121 1.00 0.00 H new ATOM 0 HA TYR A 34 -3.782 -7.195 4.527 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -1.760 -5.940 4.753 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -1.921 -5.204 3.170 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -3.251 -5.173 6.644 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -3.107 -3.139 2.866 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -4.290 -3.173 7.682 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -4.145 -1.138 3.898 1.00 0.00 H new ATOM 0 HH TYR A 34 -5.515 -0.524 5.814 1.00 0.00 H new ATOM 539 N ALA A 35 -4.811 -5.180 2.140 1.00 0.00 N ATOM 540 CA ALA A 35 -6.057 -4.543 1.616 1.00 0.00 C ATOM 541 C ALA A 35 -7.037 -5.617 1.137 1.00 0.00 C ATOM 542 O ALA A 35 -8.204 -5.598 1.479 1.00 0.00 O ATOM 543 CB ALA A 35 -5.600 -3.674 0.443 1.00 0.00 C ATOM 0 H ALA A 35 -3.962 -4.962 1.619 1.00 0.00 H new ATOM 0 HA ALA A 35 -6.572 -3.958 2.378 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -6.462 -3.172 0.004 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -4.888 -2.929 0.798 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -5.123 -4.301 -0.310 1.00 0.00 H new ATOM 549 N ASN A 36 -6.570 -6.552 0.347 1.00 0.00 N ATOM 550 CA ASN A 36 -7.467 -7.634 -0.164 1.00 0.00 C ATOM 551 C ASN A 36 -8.141 -8.368 1.001 1.00 0.00 C ATOM 552 O ASN A 36 -9.234 -8.887 0.869 1.00 0.00 O ATOM 553 CB ASN A 36 -6.553 -8.588 -0.937 1.00 0.00 C ATOM 554 CG ASN A 36 -7.391 -9.423 -1.907 1.00 0.00 C ATOM 555 OD1 ASN A 36 -7.476 -9.111 -3.078 1.00 0.00 O ATOM 556 ND2 ASN A 36 -8.019 -10.478 -1.466 1.00 0.00 N ATOM 0 H ASN A 36 -5.601 -6.612 0.033 1.00 0.00 H new ATOM 0 HA ASN A 36 -8.264 -7.236 -0.792 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -5.799 -8.023 -1.485 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -6.021 -9.240 -0.244 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -8.581 -11.041 -2.104 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -7.948 -10.740 -0.483 1.00 0.00 H new ATOM 563 N ASP A 37 -7.493 -8.411 2.137 1.00 0.00 N ATOM 564 CA ASP A 37 -8.087 -9.107 3.319 1.00 0.00 C ATOM 565 C ASP A 37 -9.106 -8.196 4.007 1.00 0.00 C ATOM 566 O ASP A 37 -10.141 -8.644 4.465 1.00 0.00 O ATOM 567 CB ASP A 37 -6.906 -9.390 4.249 1.00 0.00 C ATOM 568 CG ASP A 37 -6.289 -10.744 3.893 1.00 0.00 C ATOM 569 OD1 ASP A 37 -6.015 -10.958 2.724 1.00 0.00 O ATOM 570 OD2 ASP A 37 -6.101 -11.543 4.796 1.00 0.00 O ATOM 0 H ASP A 37 -6.576 -7.993 2.298 1.00 0.00 H new ATOM 0 HA ASP A 37 -8.612 -10.021 3.041 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -6.159 -8.602 4.155 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -7.239 -9.392 5.287 1.00 0.00 H new ATOM 575 N ASN A 38 -8.820 -6.921 4.080 1.00 0.00 N ATOM 576 CA ASN A 38 -9.768 -5.971 4.736 1.00 0.00 C ATOM 577 C ASN A 38 -10.893 -5.599 3.767 1.00 0.00 C ATOM 578 O ASN A 38 -12.025 -5.396 4.165 1.00 0.00 O ATOM 579 CB ASN A 38 -8.928 -4.739 5.078 1.00 0.00 C ATOM 580 CG ASN A 38 -8.430 -4.846 6.521 1.00 0.00 C ATOM 581 OD1 ASN A 38 -8.714 -3.993 7.338 1.00 0.00 O ATOM 582 ND2 ASN A 38 -7.694 -5.865 6.870 1.00 0.00 N ATOM 0 H ASN A 38 -7.969 -6.496 3.713 1.00 0.00 H new ATOM 0 HA ASN A 38 -10.236 -6.401 5.621 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -8.082 -4.661 4.395 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -9.523 -3.834 4.953 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -7.357 -5.946 7.829 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -7.456 -6.581 6.184 1.00 0.00 H new ATOM 589 N GLY A 39 -10.586 -5.511 2.498 1.00 0.00 N ATOM 590 CA GLY A 39 -11.629 -5.155 1.492 1.00 0.00 C ATOM 591 C GLY A 39 -11.327 -3.777 0.900 1.00 0.00 C ATOM 592 O GLY A 39 -12.192 -2.923 0.829 1.00 0.00 O ATOM 0 H GLY A 39 -9.654 -5.671 2.115 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -11.655 -5.904 0.700 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -12.613 -5.152 1.960 1.00 0.00 H new ATOM 596 N ILE A 40 -10.109 -3.555 0.473 1.00 0.00 N ATOM 597 CA ILE A 40 -9.750 -2.231 -0.119 1.00 0.00 C ATOM 598 C ILE A 40 -9.384 -2.391 -1.599 1.00 0.00 C ATOM 599 O ILE A 40 -8.249 -2.192 -1.991 1.00 0.00 O ATOM 600 CB ILE A 40 -8.546 -1.735 0.694 1.00 0.00 C ATOM 601 CG1 ILE A 40 -8.975 -1.541 2.154 1.00 0.00 C ATOM 602 CG2 ILE A 40 -8.043 -0.398 0.125 1.00 0.00 C ATOM 603 CD1 ILE A 40 -7.768 -1.145 3.012 1.00 0.00 C ATOM 0 H ILE A 40 -9.348 -4.234 0.509 1.00 0.00 H new ATOM 0 HA ILE A 40 -10.579 -1.524 -0.077 1.00 0.00 H new ATOM 0 HB ILE A 40 -7.742 -2.469 0.637 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -9.743 -0.770 2.216 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -9.416 -2.461 2.537 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -7.189 -0.053 0.708 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -7.742 -0.535 -0.914 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -8.841 0.343 0.177 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -8.085 -1.010 4.046 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -7.014 -1.930 2.963 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -7.346 -0.213 2.638 1.00 0.00 H new ATOM 615 N ASP A 41 -10.344 -2.726 -2.424 1.00 0.00 N ATOM 616 CA ASP A 41 -10.062 -2.872 -3.885 1.00 0.00 C ATOM 617 C ASP A 41 -10.304 -1.526 -4.576 1.00 0.00 C ATOM 618 O ASP A 41 -11.036 -1.431 -5.542 1.00 0.00 O ATOM 619 CB ASP A 41 -11.044 -3.938 -4.390 1.00 0.00 C ATOM 620 CG ASP A 41 -12.488 -3.490 -4.138 1.00 0.00 C ATOM 621 OD1 ASP A 41 -12.966 -3.694 -3.034 1.00 0.00 O ATOM 622 OD2 ASP A 41 -13.089 -2.953 -5.053 1.00 0.00 O ATOM 0 H ASP A 41 -11.310 -2.905 -2.149 1.00 0.00 H new ATOM 0 HA ASP A 41 -9.033 -3.166 -4.091 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -10.890 -4.110 -5.455 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -10.856 -4.885 -3.884 1.00 0.00 H new ATOM 627 N GLY A 42 -9.703 -0.484 -4.062 1.00 0.00 N ATOM 628 CA GLY A 42 -9.892 0.872 -4.646 1.00 0.00 C ATOM 629 C GLY A 42 -9.003 1.053 -5.872 1.00 0.00 C ATOM 630 O GLY A 42 -8.843 0.158 -6.680 1.00 0.00 O ATOM 0 H GLY A 42 -9.083 -0.518 -3.253 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -10.937 1.013 -4.923 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -9.654 1.632 -3.901 1.00 0.00 H new ATOM 634 N GLU A 43 -8.416 2.213 -5.999 1.00 0.00 N ATOM 635 CA GLU A 43 -7.520 2.487 -7.147 1.00 0.00 C ATOM 636 C GLU A 43 -6.098 2.698 -6.631 1.00 0.00 C ATOM 637 O GLU A 43 -5.798 3.684 -5.982 1.00 0.00 O ATOM 638 CB GLU A 43 -8.074 3.749 -7.828 1.00 0.00 C ATOM 639 CG GLU A 43 -8.043 4.947 -6.864 1.00 0.00 C ATOM 640 CD GLU A 43 -9.398 5.661 -6.880 1.00 0.00 C ATOM 641 OE1 GLU A 43 -10.376 5.043 -6.495 1.00 0.00 O ATOM 642 OE2 GLU A 43 -9.433 6.815 -7.277 1.00 0.00 O ATOM 0 H GLU A 43 -8.524 2.988 -5.345 1.00 0.00 H new ATOM 0 HA GLU A 43 -7.484 1.663 -7.860 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -7.486 3.976 -8.717 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -9.097 3.570 -8.160 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -7.813 4.607 -5.854 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -7.253 5.640 -7.155 1.00 0.00 H new ATOM 649 N TRP A 44 -5.234 1.755 -6.881 1.00 0.00 N ATOM 650 CA TRP A 44 -3.845 1.865 -6.375 1.00 0.00 C ATOM 651 C TRP A 44 -3.003 2.829 -7.201 1.00 0.00 C ATOM 652 O TRP A 44 -3.094 2.892 -8.412 1.00 0.00 O ATOM 653 CB TRP A 44 -3.277 0.454 -6.445 1.00 0.00 C ATOM 654 CG TRP A 44 -3.877 -0.340 -5.338 1.00 0.00 C ATOM 655 CD1 TRP A 44 -5.148 -0.799 -5.316 1.00 0.00 C ATOM 656 CD2 TRP A 44 -3.267 -0.753 -4.085 1.00 0.00 C ATOM 657 NE1 TRP A 44 -5.356 -1.473 -4.128 1.00 0.00 N ATOM 658 CE2 TRP A 44 -4.225 -1.472 -3.337 1.00 0.00 C ATOM 659 CE3 TRP A 44 -1.986 -0.578 -3.532 1.00 0.00 C ATOM 660 CZ2 TRP A 44 -3.926 -1.997 -2.083 1.00 0.00 C ATOM 661 CZ3 TRP A 44 -1.681 -1.109 -2.268 1.00 0.00 C ATOM 662 CH2 TRP A 44 -2.650 -1.815 -1.545 1.00 0.00 C ATOM 0 H TRP A 44 -5.434 0.910 -7.417 1.00 0.00 H new ATOM 0 HA TRP A 44 -3.833 2.266 -5.362 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -3.506 -0.002 -7.408 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -2.191 0.476 -6.353 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -5.880 -0.662 -6.098 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -6.237 -1.917 -3.868 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -1.233 -0.033 -4.082 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -4.676 -2.542 -1.529 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -0.694 -0.972 -1.852 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -2.411 -2.219 -0.572 1.00 0.00 H new ATOM 673 N THR A 45 -2.166 3.560 -6.528 1.00 0.00 N ATOM 674 CA THR A 45 -1.261 4.525 -7.206 1.00 0.00 C ATOM 675 C THR A 45 0.035 4.594 -6.405 1.00 0.00 C ATOM 676 O THR A 45 0.017 4.682 -5.191 1.00 0.00 O ATOM 677 CB THR A 45 -1.985 5.874 -7.193 1.00 0.00 C ATOM 678 OG1 THR A 45 -2.749 6.001 -6.001 1.00 0.00 O ATOM 679 CG2 THR A 45 -2.910 5.972 -8.407 1.00 0.00 C ATOM 0 H THR A 45 -2.068 3.529 -5.513 1.00 0.00 H new ATOM 0 HA THR A 45 -1.021 4.238 -8.230 1.00 0.00 H new ATOM 0 HB THR A 45 -1.248 6.676 -7.233 1.00 0.00 H new ATOM 0 HG1 THR A 45 -2.808 6.946 -5.749 1.00 0.00 H new ATOM 0 HG21 THR A 45 -3.424 6.933 -8.396 1.00 0.00 H new ATOM 0 HG22 THR A 45 -2.322 5.886 -9.321 1.00 0.00 H new ATOM 0 HG23 THR A 45 -3.644 5.167 -8.371 1.00 0.00 H new ATOM 687 N TYR A 46 1.150 4.521 -7.068 1.00 0.00 N ATOM 688 CA TYR A 46 2.454 4.545 -6.347 1.00 0.00 C ATOM 689 C TYR A 46 3.081 5.944 -6.419 1.00 0.00 C ATOM 690 O TYR A 46 3.162 6.546 -7.473 1.00 0.00 O ATOM 691 CB TYR A 46 3.297 3.498 -7.094 1.00 0.00 C ATOM 692 CG TYR A 46 4.747 3.533 -6.660 1.00 0.00 C ATOM 693 CD1 TYR A 46 5.136 2.956 -5.445 1.00 0.00 C ATOM 694 CD2 TYR A 46 5.706 4.124 -7.492 1.00 0.00 C ATOM 695 CE1 TYR A 46 6.480 2.973 -5.062 1.00 0.00 C ATOM 696 CE2 TYR A 46 7.051 4.137 -7.111 1.00 0.00 C ATOM 697 CZ TYR A 46 7.439 3.563 -5.897 1.00 0.00 C ATOM 698 OH TYR A 46 8.768 3.572 -5.529 1.00 0.00 O ATOM 0 H TYR A 46 1.218 4.445 -8.083 1.00 0.00 H new ATOM 0 HA TYR A 46 2.369 4.321 -5.284 1.00 0.00 H new ATOM 0 HB2 TYR A 46 2.887 2.504 -6.913 1.00 0.00 H new ATOM 0 HB3 TYR A 46 3.234 3.678 -8.167 1.00 0.00 H new ATOM 0 HD1 TYR A 46 4.398 2.498 -4.804 1.00 0.00 H new ATOM 0 HD2 TYR A 46 5.406 4.570 -8.429 1.00 0.00 H new ATOM 0 HE1 TYR A 46 6.780 2.532 -4.123 1.00 0.00 H new ATOM 0 HE2 TYR A 46 7.790 4.591 -7.755 1.00 0.00 H new ATOM 0 HH TYR A 46 9.296 4.020 -6.222 1.00 0.00 H new ATOM 708 N ASP A 47 3.525 6.456 -5.299 1.00 0.00 N ATOM 709 CA ASP A 47 4.153 7.810 -5.281 1.00 0.00 C ATOM 710 C ASP A 47 5.678 7.678 -5.244 1.00 0.00 C ATOM 711 O ASP A 47 6.230 7.019 -4.382 1.00 0.00 O ATOM 712 CB ASP A 47 3.640 8.469 -4.001 1.00 0.00 C ATOM 713 CG ASP A 47 2.218 8.986 -4.227 1.00 0.00 C ATOM 714 OD1 ASP A 47 2.049 9.841 -5.081 1.00 0.00 O ATOM 715 OD2 ASP A 47 1.323 8.519 -3.543 1.00 0.00 O ATOM 0 H ASP A 47 3.479 5.991 -4.392 1.00 0.00 H new ATOM 0 HA ASP A 47 3.903 8.395 -6.166 1.00 0.00 H new ATOM 0 HB2 ASP A 47 3.651 7.752 -3.180 1.00 0.00 H new ATOM 0 HB3 ASP A 47 4.296 9.291 -3.715 1.00 0.00 H new ATOM 720 N ASP A 48 6.356 8.297 -6.175 1.00 0.00 N ATOM 721 CA ASP A 48 7.848 8.212 -6.206 1.00 0.00 C ATOM 722 C ASP A 48 8.473 9.217 -5.230 1.00 0.00 C ATOM 723 O ASP A 48 9.625 9.092 -4.860 1.00 0.00 O ATOM 724 CB ASP A 48 8.232 8.555 -7.646 1.00 0.00 C ATOM 725 CG ASP A 48 9.689 8.159 -7.895 1.00 0.00 C ATOM 726 OD1 ASP A 48 9.992 6.984 -7.771 1.00 0.00 O ATOM 727 OD2 ASP A 48 10.476 9.038 -8.205 1.00 0.00 O ATOM 0 H ASP A 48 5.940 8.859 -6.918 1.00 0.00 H new ATOM 0 HA ASP A 48 8.205 7.227 -5.906 1.00 0.00 H new ATOM 0 HB2 ASP A 48 7.578 8.031 -8.343 1.00 0.00 H new ATOM 0 HB3 ASP A 48 8.099 9.622 -7.825 1.00 0.00 H new ATOM 732 N ALA A 49 7.728 10.215 -4.814 1.00 0.00 N ATOM 733 CA ALA A 49 8.281 11.231 -3.868 1.00 0.00 C ATOM 734 C ALA A 49 8.795 10.559 -2.590 1.00 0.00 C ATOM 735 O ALA A 49 9.864 10.875 -2.102 1.00 0.00 O ATOM 736 CB ALA A 49 7.111 12.163 -3.544 1.00 0.00 C ATOM 0 H ALA A 49 6.758 10.368 -5.091 1.00 0.00 H new ATOM 0 HA ALA A 49 9.124 11.768 -4.303 1.00 0.00 H new ATOM 0 HB1 ALA A 49 7.443 12.937 -2.852 1.00 0.00 H new ATOM 0 HB2 ALA A 49 6.751 12.627 -4.462 1.00 0.00 H new ATOM 0 HB3 ALA A 49 6.305 11.589 -3.087 1.00 0.00 H new ATOM 742 N THR A 50 8.037 9.641 -2.043 1.00 0.00 N ATOM 743 CA THR A 50 8.474 8.953 -0.791 1.00 0.00 C ATOM 744 C THR A 50 7.971 7.505 -0.766 1.00 0.00 C ATOM 745 O THR A 50 7.830 6.910 0.286 1.00 0.00 O ATOM 746 CB THR A 50 7.834 9.757 0.344 1.00 0.00 C ATOM 747 OG1 THR A 50 6.421 9.740 0.192 1.00 0.00 O ATOM 748 CG2 THR A 50 8.336 11.202 0.301 1.00 0.00 C ATOM 0 H THR A 50 7.135 9.339 -2.410 1.00 0.00 H new ATOM 0 HA THR A 50 9.560 8.910 -0.707 1.00 0.00 H new ATOM 0 HB THR A 50 8.105 9.312 1.301 1.00 0.00 H new ATOM 0 HG1 THR A 50 6.008 10.252 0.918 1.00 0.00 H new ATOM 0 HG21 THR A 50 7.878 11.771 1.110 1.00 0.00 H new ATOM 0 HG22 THR A 50 9.420 11.214 0.417 1.00 0.00 H new ATOM 0 HG23 THR A 50 8.068 11.652 -0.655 1.00 0.00 H new ATOM 756 N LYS A 51 7.699 6.930 -1.916 1.00 0.00 N ATOM 757 CA LYS A 51 7.203 5.513 -1.970 1.00 0.00 C ATOM 758 C LYS A 51 5.991 5.327 -1.050 1.00 0.00 C ATOM 759 O LYS A 51 6.134 5.092 0.136 1.00 0.00 O ATOM 760 CB LYS A 51 8.378 4.652 -1.488 1.00 0.00 C ATOM 761 CG LYS A 51 8.995 3.913 -2.676 1.00 0.00 C ATOM 762 CD LYS A 51 10.045 4.806 -3.345 1.00 0.00 C ATOM 763 CE LYS A 51 11.208 5.045 -2.379 1.00 0.00 C ATOM 764 NZ LYS A 51 12.337 5.489 -3.242 1.00 0.00 N ATOM 0 H LYS A 51 7.800 7.383 -2.824 1.00 0.00 H new ATOM 0 HA LYS A 51 6.880 5.237 -2.974 1.00 0.00 H new ATOM 0 HB2 LYS A 51 9.129 5.280 -1.008 1.00 0.00 H new ATOM 0 HB3 LYS A 51 8.035 3.937 -0.740 1.00 0.00 H new ATOM 0 HG2 LYS A 51 9.454 2.983 -2.341 1.00 0.00 H new ATOM 0 HG3 LYS A 51 8.220 3.645 -3.394 1.00 0.00 H new ATOM 0 HD2 LYS A 51 10.409 4.335 -4.258 1.00 0.00 H new ATOM 0 HD3 LYS A 51 9.597 5.757 -3.633 1.00 0.00 H new ATOM 0 HE2 LYS A 51 10.956 5.803 -1.637 1.00 0.00 H new ATOM 0 HE3 LYS A 51 11.461 4.136 -1.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 13.173 5.673 -2.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 12.559 4.745 -3.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 12.069 6.360 -3.744 1.00 0.00 H new ATOM 778 N THR A 52 4.803 5.429 -1.589 1.00 0.00 N ATOM 779 CA THR A 52 3.584 5.259 -0.746 1.00 0.00 C ATOM 780 C THR A 52 2.416 4.729 -1.582 1.00 0.00 C ATOM 781 O THR A 52 1.769 5.474 -2.294 1.00 0.00 O ATOM 782 CB THR A 52 3.271 6.663 -0.219 1.00 0.00 C ATOM 783 OG1 THR A 52 4.395 7.159 0.494 1.00 0.00 O ATOM 784 CG2 THR A 52 2.056 6.612 0.712 1.00 0.00 C ATOM 0 H THR A 52 4.626 5.622 -2.575 1.00 0.00 H new ATOM 0 HA THR A 52 3.741 4.541 0.059 1.00 0.00 H new ATOM 0 HB THR A 52 3.049 7.322 -1.059 1.00 0.00 H new ATOM 0 HG1 THR A 52 4.198 8.058 0.831 1.00 0.00 H new ATOM 0 HG21 THR A 52 1.839 7.614 1.083 1.00 0.00 H new ATOM 0 HG22 THR A 52 1.193 6.234 0.164 1.00 0.00 H new ATOM 0 HG23 THR A 52 2.269 5.952 1.553 1.00 0.00 H new ATOM 792 N PHE A 53 2.127 3.453 -1.483 1.00 0.00 N ATOM 793 CA PHE A 53 0.979 2.880 -2.255 1.00 0.00 C ATOM 794 C PHE A 53 -0.310 3.571 -1.814 1.00 0.00 C ATOM 795 O PHE A 53 -0.623 3.610 -0.638 1.00 0.00 O ATOM 796 CB PHE A 53 0.940 1.397 -1.890 1.00 0.00 C ATOM 797 CG PHE A 53 2.111 0.694 -2.522 1.00 0.00 C ATOM 798 CD1 PHE A 53 2.020 0.237 -3.838 1.00 0.00 C ATOM 799 CD2 PHE A 53 3.285 0.504 -1.790 1.00 0.00 C ATOM 800 CE1 PHE A 53 3.109 -0.414 -4.429 1.00 0.00 C ATOM 801 CE2 PHE A 53 4.376 -0.147 -2.377 1.00 0.00 C ATOM 802 CZ PHE A 53 4.288 -0.606 -3.698 1.00 0.00 C ATOM 0 H PHE A 53 2.635 2.785 -0.903 1.00 0.00 H new ATOM 0 HA PHE A 53 1.085 3.020 -3.331 1.00 0.00 H new ATOM 0 HB2 PHE A 53 0.971 1.277 -0.807 1.00 0.00 H new ATOM 0 HB3 PHE A 53 0.006 0.951 -2.233 1.00 0.00 H new ATOM 0 HD1 PHE A 53 1.110 0.386 -4.400 1.00 0.00 H new ATOM 0 HD2 PHE A 53 3.351 0.859 -0.772 1.00 0.00 H new ATOM 0 HE1 PHE A 53 3.040 -0.768 -5.447 1.00 0.00 H new ATOM 0 HE2 PHE A 53 5.285 -0.295 -1.812 1.00 0.00 H new ATOM 0 HZ PHE A 53 5.129 -1.108 -4.152 1.00 0.00 H new ATOM 812 N THR A 54 -1.040 4.148 -2.733 1.00 0.00 N ATOM 813 CA THR A 54 -2.289 4.870 -2.333 1.00 0.00 C ATOM 814 C THR A 54 -3.554 4.253 -2.955 1.00 0.00 C ATOM 815 O THR A 54 -3.839 4.453 -4.121 1.00 0.00 O ATOM 816 CB THR A 54 -2.080 6.297 -2.847 1.00 0.00 C ATOM 817 OG1 THR A 54 -0.877 6.820 -2.302 1.00 0.00 O ATOM 818 CG2 THR A 54 -3.256 7.183 -2.428 1.00 0.00 C ATOM 0 H THR A 54 -0.831 4.152 -3.731 1.00 0.00 H new ATOM 0 HA THR A 54 -2.448 4.818 -1.256 1.00 0.00 H new ATOM 0 HB THR A 54 -2.017 6.281 -3.935 1.00 0.00 H new ATOM 0 HG1 THR A 54 -0.391 7.313 -2.996 1.00 0.00 H new ATOM 0 HG21 THR A 54 -3.098 8.196 -2.798 1.00 0.00 H new ATOM 0 HG22 THR A 54 -4.180 6.783 -2.846 1.00 0.00 H new ATOM 0 HG23 THR A 54 -3.328 7.201 -1.341 1.00 0.00 H new ATOM 826 N VAL A 55 -4.338 3.544 -2.168 1.00 0.00 N ATOM 827 CA VAL A 55 -5.606 2.965 -2.693 1.00 0.00 C ATOM 828 C VAL A 55 -6.793 3.774 -2.147 1.00 0.00 C ATOM 829 O VAL A 55 -6.643 4.579 -1.244 1.00 0.00 O ATOM 830 CB VAL A 55 -5.671 1.497 -2.221 1.00 0.00 C ATOM 831 CG1 VAL A 55 -5.835 1.415 -0.705 1.00 0.00 C ATOM 832 CG2 VAL A 55 -6.866 0.810 -2.885 1.00 0.00 C ATOM 0 H VAL A 55 -4.147 3.346 -1.186 1.00 0.00 H new ATOM 0 HA VAL A 55 -5.645 3.004 -3.782 1.00 0.00 H new ATOM 0 HB VAL A 55 -4.740 1.004 -2.499 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -5.878 0.370 -0.400 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -4.987 1.900 -0.221 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -6.757 1.917 -0.411 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -6.918 -0.228 -2.556 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -7.784 1.326 -2.605 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -6.748 0.842 -3.968 1.00 0.00 H new ATOM 842 N THR A 56 -7.961 3.563 -2.686 1.00 0.00 N ATOM 843 CA THR A 56 -9.160 4.314 -2.216 1.00 0.00 C ATOM 844 C THR A 56 -10.434 3.547 -2.583 1.00 0.00 C ATOM 845 O THR A 56 -10.812 3.479 -3.739 1.00 0.00 O ATOM 846 CB THR A 56 -9.091 5.638 -2.974 1.00 0.00 C ATOM 847 OG1 THR A 56 -7.882 6.307 -2.645 1.00 0.00 O ATOM 848 CG2 THR A 56 -10.285 6.521 -2.600 1.00 0.00 C ATOM 0 H THR A 56 -8.138 2.897 -3.438 1.00 0.00 H new ATOM 0 HA THR A 56 -9.178 4.455 -1.135 1.00 0.00 H new ATOM 0 HB THR A 56 -9.120 5.439 -4.045 1.00 0.00 H new ATOM 0 HG1 THR A 56 -7.499 5.911 -1.835 1.00 0.00 H new ATOM 0 HG21 THR A 56 -10.226 7.463 -3.146 1.00 0.00 H new ATOM 0 HG22 THR A 56 -11.212 6.009 -2.859 1.00 0.00 H new ATOM 0 HG23 THR A 56 -10.268 6.721 -1.529 1.00 0.00 H new ATOM 856 N GLU A 57 -11.093 2.970 -1.611 1.00 0.00 N ATOM 857 CA GLU A 57 -12.343 2.204 -1.897 1.00 0.00 C ATOM 858 C GLU A 57 -13.551 3.145 -1.895 1.00 0.00 C ATOM 859 O GLU A 57 -14.593 2.739 -2.382 1.00 0.00 O ATOM 860 CB GLU A 57 -12.451 1.187 -0.760 1.00 0.00 C ATOM 861 CG GLU A 57 -12.960 -0.147 -1.311 1.00 0.00 C ATOM 862 CD GLU A 57 -13.804 -0.851 -0.247 1.00 0.00 C ATOM 863 OE1 GLU A 57 -13.457 -0.750 0.918 1.00 0.00 O ATOM 864 OE2 GLU A 57 -14.782 -1.480 -0.616 1.00 0.00 O ATOM 865 OXT GLU A 57 -13.412 4.254 -1.406 1.00 0.00 O ATOM 0 H GLU A 57 -10.818 2.997 -0.629 1.00 0.00 H new ATOM 0 HA GLU A 57 -12.319 1.721 -2.874 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -11.478 1.050 -0.288 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -13.129 1.557 0.009 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -13.555 0.022 -2.209 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -12.119 -0.778 -1.599 1.00 0.00 H new