USER MOD reduce.3.24.130724 H: found=0, std=0, add=428, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 428 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 -21:sc= 0.134! USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 153:sc= 0.619 (180deg=0.262) USER MOD Single : A 2 THR OG1 : rot 121:sc= 0.823 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= -0.171 K(o=-0.17,f=-2.2!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot -130:sc= 0 USER MOD Single : A 26 THR OG1 : rot -140:sc= -0.441 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= -0.511 X(o=-0.51,f=-0.22) USER MOD Single : A 34 TYR OH : rot 30:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -0.0235 X(o=-0.023,f=0) USER MOD Single : A 38 ASN : amide:sc= 0.513 K(o=0.51,f=-2.3) USER MOD Single : A 45 THR OG1 : rot 180:sc= -1.33 USER MOD Single : A 46 TYR OH : rot 180:sc= -2.5 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot -18:sc= -0.717 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -15.694 1.639 5.313 1.00 0.00 N ATOM 2 CA MET A 1 -15.114 1.935 3.970 1.00 0.00 C ATOM 3 C MET A 1 -14.351 0.716 3.445 1.00 0.00 C ATOM 4 O MET A 1 -14.376 -0.344 4.042 1.00 0.00 O ATOM 5 CB MET A 1 -14.160 3.109 4.194 1.00 0.00 C ATOM 6 CG MET A 1 -14.938 4.425 4.117 1.00 0.00 C ATOM 7 SD MET A 1 -15.498 4.899 5.772 1.00 0.00 S ATOM 8 CE MET A 1 -14.765 6.553 5.794 1.00 0.00 C ATOM 0 H1 MET A 1 -15.796 2.524 5.850 1.00 0.00 H new ATOM 0 H2 MET A 1 -16.627 1.194 5.198 1.00 0.00 H new ATOM 0 H3 MET A 1 -15.063 0.992 5.829 1.00 0.00 H new ATOM 0 HA MET A 1 -15.882 2.172 3.234 1.00 0.00 H new ATOM 0 HB2 MET A 1 -13.676 3.017 5.167 1.00 0.00 H new ATOM 0 HB3 MET A 1 -13.370 3.097 3.443 1.00 0.00 H new ATOM 0 HG2 MET A 1 -14.306 5.208 3.698 1.00 0.00 H new ATOM 0 HG3 MET A 1 -15.793 4.315 3.451 1.00 0.00 H new ATOM 0 HE1 MET A 1 -14.990 7.038 6.744 1.00 0.00 H new ATOM 0 HE2 MET A 1 -13.684 6.474 5.675 1.00 0.00 H new ATOM 0 HE3 MET A 1 -15.178 7.145 4.977 1.00 0.00 H new ATOM 20 N THR A 2 -13.673 0.862 2.335 1.00 0.00 N ATOM 21 CA THR A 2 -12.903 -0.284 1.766 1.00 0.00 C ATOM 22 C THR A 2 -11.531 -0.384 2.436 1.00 0.00 C ATOM 23 O THR A 2 -10.679 0.466 2.254 1.00 0.00 O ATOM 24 CB THR A 2 -12.752 0.036 0.277 1.00 0.00 C ATOM 25 OG1 THR A 2 -14.039 0.196 -0.305 1.00 0.00 O ATOM 26 CG2 THR A 2 -12.012 -1.107 -0.420 1.00 0.00 C ATOM 0 H THR A 2 -13.620 1.727 1.798 1.00 0.00 H new ATOM 0 HA THR A 2 -13.405 -1.238 1.927 1.00 0.00 H new ATOM 0 HB THR A 2 -12.183 0.958 0.159 1.00 0.00 H new ATOM 0 HG1 THR A 2 -14.114 1.093 -0.692 1.00 0.00 H new ATOM 0 HG21 THR A 2 -11.905 -0.878 -1.480 1.00 0.00 H new ATOM 0 HG22 THR A 2 -11.025 -1.227 0.027 1.00 0.00 H new ATOM 0 HG23 THR A 2 -12.578 -2.031 -0.304 1.00 0.00 H new ATOM 34 N THR A 3 -11.316 -1.416 3.210 1.00 0.00 N ATOM 35 CA THR A 3 -10.009 -1.582 3.899 1.00 0.00 C ATOM 36 C THR A 3 -8.970 -2.182 2.943 1.00 0.00 C ATOM 37 O THR A 3 -9.005 -3.356 2.627 1.00 0.00 O ATOM 38 CB THR A 3 -10.282 -2.526 5.079 1.00 0.00 C ATOM 39 OG1 THR A 3 -9.072 -2.750 5.789 1.00 0.00 O ATOM 40 CG2 THR A 3 -10.832 -3.867 4.577 1.00 0.00 C ATOM 0 H THR A 3 -11.996 -2.154 3.393 1.00 0.00 H new ATOM 0 HA THR A 3 -9.604 -0.628 4.238 1.00 0.00 H new ATOM 0 HB THR A 3 -11.021 -2.066 5.735 1.00 0.00 H new ATOM 0 HG1 THR A 3 -9.242 -3.351 6.544 1.00 0.00 H new ATOM 0 HG21 THR A 3 -11.020 -4.524 5.426 1.00 0.00 H new ATOM 0 HG22 THR A 3 -11.763 -3.699 4.035 1.00 0.00 H new ATOM 0 HG23 THR A 3 -10.105 -4.333 3.912 1.00 0.00 H new ATOM 48 N PHE A 4 -8.047 -1.378 2.481 1.00 0.00 N ATOM 49 CA PHE A 4 -7.000 -1.889 1.546 1.00 0.00 C ATOM 50 C PHE A 4 -5.787 -2.383 2.339 1.00 0.00 C ATOM 51 O PHE A 4 -5.639 -2.079 3.509 1.00 0.00 O ATOM 52 CB PHE A 4 -6.621 -0.686 0.683 1.00 0.00 C ATOM 53 CG PHE A 4 -7.694 -0.438 -0.347 1.00 0.00 C ATOM 54 CD1 PHE A 4 -7.657 -1.108 -1.575 1.00 0.00 C ATOM 55 CD2 PHE A 4 -8.725 0.470 -0.076 1.00 0.00 C ATOM 56 CE1 PHE A 4 -8.651 -0.871 -2.532 1.00 0.00 C ATOM 57 CE2 PHE A 4 -9.717 0.708 -1.032 1.00 0.00 C ATOM 58 CZ PHE A 4 -9.681 0.037 -2.260 1.00 0.00 C ATOM 0 H PHE A 4 -7.973 -0.387 2.712 1.00 0.00 H new ATOM 0 HA PHE A 4 -7.352 -2.727 0.944 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -6.494 0.197 1.309 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -5.666 -0.867 0.190 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -6.862 -1.808 -1.784 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -8.754 0.987 0.872 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -8.623 -1.388 -3.480 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -10.511 1.410 -0.823 1.00 0.00 H new ATOM 0 HZ PHE A 4 -10.448 0.220 -2.998 1.00 0.00 H new ATOM 68 N LYS A 5 -4.919 -3.140 1.714 1.00 0.00 N ATOM 69 CA LYS A 5 -3.714 -3.652 2.436 1.00 0.00 C ATOM 70 C LYS A 5 -2.444 -3.383 1.622 1.00 0.00 C ATOM 71 O LYS A 5 -2.318 -3.813 0.492 1.00 0.00 O ATOM 72 CB LYS A 5 -3.949 -5.155 2.582 1.00 0.00 C ATOM 73 CG LYS A 5 -4.841 -5.416 3.798 1.00 0.00 C ATOM 74 CD LYS A 5 -5.532 -6.772 3.642 1.00 0.00 C ATOM 75 CE LYS A 5 -5.966 -7.286 5.017 1.00 0.00 C ATOM 76 NZ LYS A 5 -4.779 -8.011 5.549 1.00 0.00 N ATOM 0 H LYS A 5 -4.993 -3.425 0.737 1.00 0.00 H new ATOM 0 HA LYS A 5 -3.577 -3.163 3.401 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -4.419 -5.550 1.681 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -2.997 -5.673 2.698 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -4.244 -5.403 4.710 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -5.585 -4.625 3.893 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -6.398 -6.677 2.987 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -4.855 -7.485 3.173 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -6.253 -6.464 5.673 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -6.829 -7.947 4.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -4.999 -8.393 6.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -4.533 -8.792 4.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -3.975 -7.355 5.621 1.00 0.00 H new ATOM 90 N LEU A 6 -1.503 -2.676 2.194 1.00 0.00 N ATOM 91 CA LEU A 6 -0.234 -2.375 1.467 1.00 0.00 C ATOM 92 C LEU A 6 0.904 -3.236 2.024 1.00 0.00 C ATOM 93 O LEU A 6 1.346 -3.032 3.139 1.00 0.00 O ATOM 94 CB LEU A 6 0.044 -0.890 1.761 1.00 0.00 C ATOM 95 CG LEU A 6 0.825 -0.168 0.622 1.00 0.00 C ATOM 96 CD1 LEU A 6 1.849 0.784 1.249 1.00 0.00 C ATOM 97 CD2 LEU A 6 1.577 -1.144 -0.306 1.00 0.00 C ATOM 0 H LEU A 6 -1.560 -2.293 3.138 1.00 0.00 H new ATOM 0 HA LEU A 6 -0.309 -2.581 0.399 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -0.903 -0.376 1.924 1.00 0.00 H new ATOM 0 HB3 LEU A 6 0.613 -0.811 2.688 1.00 0.00 H new ATOM 0 HG LEU A 6 0.091 0.365 0.018 1.00 0.00 H new ATOM 0 HD11 LEU A 6 2.401 1.295 0.460 1.00 0.00 H new ATOM 0 HD12 LEU A 6 1.332 1.520 1.865 1.00 0.00 H new ATOM 0 HD13 LEU A 6 2.543 0.215 1.868 1.00 0.00 H new ATOM 0 HD21 LEU A 6 2.101 -0.581 -1.078 1.00 0.00 H new ATOM 0 HD22 LEU A 6 2.298 -1.718 0.277 1.00 0.00 H new ATOM 0 HD23 LEU A 6 0.864 -1.824 -0.773 1.00 0.00 H new ATOM 109 N ILE A 7 1.389 -4.186 1.261 1.00 0.00 N ATOM 110 CA ILE A 7 2.509 -5.042 1.763 1.00 0.00 C ATOM 111 C ILE A 7 3.743 -4.157 2.013 1.00 0.00 C ATOM 112 O ILE A 7 3.783 -3.017 1.589 1.00 0.00 O ATOM 113 CB ILE A 7 2.738 -6.107 0.658 1.00 0.00 C ATOM 114 CG1 ILE A 7 3.241 -7.398 1.301 1.00 0.00 C ATOM 115 CG2 ILE A 7 3.756 -5.640 -0.395 1.00 0.00 C ATOM 116 CD1 ILE A 7 2.054 -8.184 1.858 1.00 0.00 C ATOM 0 H ILE A 7 1.061 -4.404 0.320 1.00 0.00 H new ATOM 0 HA ILE A 7 2.294 -5.535 2.711 1.00 0.00 H new ATOM 0 HB ILE A 7 1.786 -6.270 0.153 1.00 0.00 H new ATOM 0 HG12 ILE A 7 3.776 -7.999 0.566 1.00 0.00 H new ATOM 0 HG13 ILE A 7 3.946 -7.169 2.100 1.00 0.00 H new ATOM 0 HG21 ILE A 7 3.884 -6.418 -1.148 1.00 0.00 H new ATOM 0 HG22 ILE A 7 3.394 -4.729 -0.872 1.00 0.00 H new ATOM 0 HG23 ILE A 7 4.713 -5.441 0.087 1.00 0.00 H new ATOM 0 HD11 ILE A 7 2.411 -9.106 2.317 1.00 0.00 H new ATOM 0 HD12 ILE A 7 1.538 -7.582 2.606 1.00 0.00 H new ATOM 0 HD13 ILE A 7 1.365 -8.425 1.048 1.00 0.00 H new ATOM 128 N ILE A 8 4.738 -4.664 2.695 1.00 0.00 N ATOM 129 CA ILE A 8 5.950 -3.834 2.962 1.00 0.00 C ATOM 130 C ILE A 8 7.221 -4.610 2.603 1.00 0.00 C ATOM 131 O ILE A 8 7.965 -5.029 3.469 1.00 0.00 O ATOM 132 CB ILE A 8 5.902 -3.525 4.463 1.00 0.00 C ATOM 133 CG1 ILE A 8 4.595 -2.798 4.798 1.00 0.00 C ATOM 134 CG2 ILE A 8 7.083 -2.627 4.840 1.00 0.00 C ATOM 135 CD1 ILE A 8 4.469 -2.646 6.315 1.00 0.00 C ATOM 0 H ILE A 8 4.764 -5.610 3.076 1.00 0.00 H new ATOM 0 HA ILE A 8 5.964 -2.923 2.363 1.00 0.00 H new ATOM 0 HB ILE A 8 5.956 -4.459 5.022 1.00 0.00 H new ATOM 0 HG12 ILE A 8 4.579 -1.818 4.321 1.00 0.00 H new ATOM 0 HG13 ILE A 8 3.745 -3.357 4.406 1.00 0.00 H new ATOM 0 HG21 ILE A 8 7.048 -2.408 5.907 1.00 0.00 H new ATOM 0 HG22 ILE A 8 8.017 -3.137 4.605 1.00 0.00 H new ATOM 0 HG23 ILE A 8 7.026 -1.696 4.277 1.00 0.00 H new ATOM 0 HD11 ILE A 8 3.539 -2.129 6.553 1.00 0.00 H new ATOM 0 HD12 ILE A 8 4.465 -3.632 6.780 1.00 0.00 H new ATOM 0 HD13 ILE A 8 5.312 -2.069 6.694 1.00 0.00 H new ATOM 147 N ASN A 9 7.481 -4.792 1.331 1.00 0.00 N ATOM 148 CA ASN A 9 8.716 -5.526 0.921 1.00 0.00 C ATOM 149 C ASN A 9 9.813 -4.517 0.582 1.00 0.00 C ATOM 150 O ASN A 9 10.443 -4.589 -0.457 1.00 0.00 O ATOM 151 CB ASN A 9 8.316 -6.338 -0.311 1.00 0.00 C ATOM 152 CG ASN A 9 7.782 -7.702 0.129 1.00 0.00 C ATOM 153 OD1 ASN A 9 8.159 -8.210 1.166 1.00 0.00 O ATOM 154 ND2 ASN A 9 6.912 -8.321 -0.622 1.00 0.00 N ATOM 0 H ASN A 9 6.894 -4.465 0.563 1.00 0.00 H new ATOM 0 HA ASN A 9 9.103 -6.174 1.708 1.00 0.00 H new ATOM 0 HB2 ASN A 9 7.555 -5.804 -0.880 1.00 0.00 H new ATOM 0 HB3 ASN A 9 9.175 -6.467 -0.969 1.00 0.00 H new ATOM 0 HD21 ASN A 9 6.549 -9.231 -0.338 1.00 0.00 H new ATOM 0 HD22 ASN A 9 6.595 -7.895 -1.493 1.00 0.00 H new ATOM 161 N GLY A 10 10.035 -3.573 1.459 1.00 0.00 N ATOM 162 CA GLY A 10 11.080 -2.538 1.216 1.00 0.00 C ATOM 163 C GLY A 10 12.254 -2.756 2.168 1.00 0.00 C ATOM 164 O GLY A 10 12.137 -3.447 3.163 1.00 0.00 O ATOM 0 H GLY A 10 9.532 -3.475 2.341 1.00 0.00 H new ATOM 0 HA2 GLY A 10 11.423 -2.590 0.183 1.00 0.00 H new ATOM 0 HA3 GLY A 10 10.660 -1.543 1.363 1.00 0.00 H new ATOM 168 N LYS A 11 13.382 -2.163 1.873 1.00 0.00 N ATOM 169 CA LYS A 11 14.571 -2.323 2.762 1.00 0.00 C ATOM 170 C LYS A 11 14.450 -1.426 4.006 1.00 0.00 C ATOM 171 O LYS A 11 15.310 -1.443 4.867 1.00 0.00 O ATOM 172 CB LYS A 11 15.775 -1.908 1.906 1.00 0.00 C ATOM 173 CG LYS A 11 15.621 -0.454 1.441 1.00 0.00 C ATOM 174 CD LYS A 11 16.991 0.102 1.046 1.00 0.00 C ATOM 175 CE LYS A 11 16.874 1.602 0.764 1.00 0.00 C ATOM 176 NZ LYS A 11 17.782 1.848 -0.390 1.00 0.00 N ATOM 0 H LYS A 11 13.531 -1.574 1.054 1.00 0.00 H new ATOM 0 HA LYS A 11 14.667 -3.345 3.129 1.00 0.00 H new ATOM 0 HB2 LYS A 11 16.694 -2.018 2.481 1.00 0.00 H new ATOM 0 HB3 LYS A 11 15.860 -2.567 1.042 1.00 0.00 H new ATOM 0 HG2 LYS A 11 14.937 -0.402 0.594 1.00 0.00 H new ATOM 0 HG3 LYS A 11 15.187 0.150 2.238 1.00 0.00 H new ATOM 0 HD2 LYS A 11 17.710 -0.073 1.846 1.00 0.00 H new ATOM 0 HD3 LYS A 11 17.364 -0.416 0.163 1.00 0.00 H new ATOM 0 HE2 LYS A 11 15.847 1.880 0.525 1.00 0.00 H new ATOM 0 HE3 LYS A 11 17.170 2.191 1.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 17.756 2.856 -0.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 18.753 1.581 -0.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 17.472 1.279 -1.203 1.00 0.00 H new ATOM 190 N THR A 12 13.398 -0.642 4.108 1.00 0.00 N ATOM 191 CA THR A 12 13.241 0.246 5.296 1.00 0.00 C ATOM 192 C THR A 12 12.138 -0.287 6.213 1.00 0.00 C ATOM 193 O THR A 12 12.163 -0.074 7.411 1.00 0.00 O ATOM 194 CB THR A 12 12.856 1.610 4.722 1.00 0.00 C ATOM 195 OG1 THR A 12 13.758 1.954 3.680 1.00 0.00 O ATOM 196 CG2 THR A 12 12.922 2.666 5.826 1.00 0.00 C ATOM 0 H THR A 12 12.647 -0.583 3.420 1.00 0.00 H new ATOM 0 HA THR A 12 14.150 0.300 5.896 1.00 0.00 H new ATOM 0 HB THR A 12 11.842 1.566 4.325 1.00 0.00 H new ATOM 0 HG1 THR A 12 13.512 2.827 3.309 1.00 0.00 H new ATOM 0 HG21 THR A 12 12.648 3.638 5.416 1.00 0.00 H new ATOM 0 HG22 THR A 12 12.230 2.400 6.625 1.00 0.00 H new ATOM 0 HG23 THR A 12 13.936 2.713 6.224 1.00 0.00 H new ATOM 204 N LEU A 13 11.175 -0.983 5.661 1.00 0.00 N ATOM 205 CA LEU A 13 10.071 -1.536 6.504 1.00 0.00 C ATOM 206 C LEU A 13 9.783 -2.989 6.116 1.00 0.00 C ATOM 207 O LEU A 13 10.205 -3.457 5.076 1.00 0.00 O ATOM 208 CB LEU A 13 8.859 -0.649 6.210 1.00 0.00 C ATOM 209 CG LEU A 13 9.164 0.795 6.625 1.00 0.00 C ATOM 210 CD1 LEU A 13 9.585 1.602 5.395 1.00 0.00 C ATOM 211 CD2 LEU A 13 7.913 1.426 7.242 1.00 0.00 C ATOM 0 H LEU A 13 11.106 -1.192 4.665 1.00 0.00 H new ATOM 0 HA LEU A 13 10.325 -1.537 7.564 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.616 -0.689 5.148 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.987 -1.017 6.751 1.00 0.00 H new ATOM 0 HG LEU A 13 9.972 0.798 7.357 1.00 0.00 H new ATOM 0 HD11 LEU A 13 9.802 2.629 5.690 1.00 0.00 H new ATOM 0 HD12 LEU A 13 10.476 1.155 4.954 1.00 0.00 H new ATOM 0 HD13 LEU A 13 8.777 1.598 4.663 1.00 0.00 H new ATOM 0 HD21 LEU A 13 8.131 2.453 7.537 1.00 0.00 H new ATOM 0 HD22 LEU A 13 7.105 1.422 6.510 1.00 0.00 H new ATOM 0 HD23 LEU A 13 7.611 0.853 8.119 1.00 0.00 H new ATOM 223 N LYS A 14 9.068 -3.704 6.950 1.00 0.00 N ATOM 224 CA LYS A 14 8.750 -5.130 6.639 1.00 0.00 C ATOM 225 C LYS A 14 7.465 -5.557 7.356 1.00 0.00 C ATOM 226 O LYS A 14 7.337 -5.406 8.556 1.00 0.00 O ATOM 227 CB LYS A 14 9.947 -5.925 7.167 1.00 0.00 C ATOM 228 CG LYS A 14 10.306 -7.036 6.175 1.00 0.00 C ATOM 229 CD LYS A 14 11.826 -7.197 6.114 1.00 0.00 C ATOM 230 CE LYS A 14 12.421 -6.097 5.232 1.00 0.00 C ATOM 231 NZ LYS A 14 13.871 -6.421 5.140 1.00 0.00 N ATOM 0 H LYS A 14 8.691 -3.360 7.833 1.00 0.00 H new ATOM 0 HA LYS A 14 8.587 -5.293 5.574 1.00 0.00 H new ATOM 0 HB2 LYS A 14 10.801 -5.263 7.311 1.00 0.00 H new ATOM 0 HB3 LYS A 14 9.710 -6.355 8.140 1.00 0.00 H new ATOM 0 HG2 LYS A 14 9.843 -7.974 6.481 1.00 0.00 H new ATOM 0 HG3 LYS A 14 9.916 -6.795 5.186 1.00 0.00 H new ATOM 0 HD2 LYS A 14 12.249 -7.142 7.117 1.00 0.00 H new ATOM 0 HD3 LYS A 14 12.083 -8.178 5.713 1.00 0.00 H new ATOM 0 HE2 LYS A 14 11.955 -6.086 4.246 1.00 0.00 H new ATOM 0 HE3 LYS A 14 12.264 -5.111 5.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 14.349 -5.710 4.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 14.289 -6.418 6.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 13.990 -7.362 4.713 1.00 0.00 H new ATOM 245 N GLY A 15 6.515 -6.090 6.627 1.00 0.00 N ATOM 246 CA GLY A 15 5.240 -6.532 7.260 1.00 0.00 C ATOM 247 C GLY A 15 4.057 -6.065 6.412 1.00 0.00 C ATOM 248 O GLY A 15 4.100 -6.108 5.197 1.00 0.00 O ATOM 0 H GLY A 15 6.571 -6.237 5.619 1.00 0.00 H new ATOM 0 HA2 GLY A 15 5.226 -7.618 7.354 1.00 0.00 H new ATOM 0 HA3 GLY A 15 5.162 -6.124 8.268 1.00 0.00 H new ATOM 252 N GLU A 16 3.002 -5.622 7.046 1.00 0.00 N ATOM 253 CA GLU A 16 1.807 -5.152 6.285 1.00 0.00 C ATOM 254 C GLU A 16 1.145 -3.975 7.006 1.00 0.00 C ATOM 255 O GLU A 16 1.499 -3.640 8.120 1.00 0.00 O ATOM 256 CB GLU A 16 0.863 -6.354 6.249 1.00 0.00 C ATOM 257 CG GLU A 16 1.493 -7.473 5.419 1.00 0.00 C ATOM 258 CD GLU A 16 0.389 -8.350 4.824 1.00 0.00 C ATOM 259 OE1 GLU A 16 -0.567 -7.795 4.307 1.00 0.00 O ATOM 260 OE2 GLU A 16 0.518 -9.561 4.896 1.00 0.00 O ATOM 0 H GLU A 16 2.917 -5.566 8.061 1.00 0.00 H new ATOM 0 HA GLU A 16 2.067 -4.805 5.285 1.00 0.00 H new ATOM 0 HB2 GLU A 16 0.666 -6.705 7.262 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -0.096 -6.064 5.820 1.00 0.00 H new ATOM 0 HG2 GLU A 16 2.105 -7.049 4.622 1.00 0.00 H new ATOM 0 HG3 GLU A 16 2.154 -8.075 6.043 1.00 0.00 H new ATOM 267 N THR A 17 0.184 -3.351 6.375 1.00 0.00 N ATOM 268 CA THR A 17 -0.515 -2.195 7.012 1.00 0.00 C ATOM 269 C THR A 17 -1.921 -2.043 6.421 1.00 0.00 C ATOM 270 O THR A 17 -2.194 -2.504 5.329 1.00 0.00 O ATOM 271 CB THR A 17 0.351 -0.970 6.687 1.00 0.00 C ATOM 272 OG1 THR A 17 -0.260 0.193 7.227 1.00 0.00 O ATOM 273 CG2 THR A 17 0.495 -0.814 5.170 1.00 0.00 C ATOM 0 H THR A 17 -0.148 -3.594 5.442 1.00 0.00 H new ATOM 0 HA THR A 17 -0.636 -2.324 8.088 1.00 0.00 H new ATOM 0 HB THR A 17 1.340 -1.105 7.125 1.00 0.00 H new ATOM 0 HG1 THR A 17 0.291 0.977 7.023 1.00 0.00 H new ATOM 0 HG21 THR A 17 1.111 0.058 4.951 1.00 0.00 H new ATOM 0 HG22 THR A 17 0.967 -1.705 4.756 1.00 0.00 H new ATOM 0 HG23 THR A 17 -0.490 -0.684 4.722 1.00 0.00 H new ATOM 281 N THR A 18 -2.812 -1.403 7.137 1.00 0.00 N ATOM 282 CA THR A 18 -4.202 -1.223 6.622 1.00 0.00 C ATOM 283 C THR A 18 -4.724 0.175 6.964 1.00 0.00 C ATOM 284 O THR A 18 -4.358 0.755 7.969 1.00 0.00 O ATOM 285 CB THR A 18 -5.031 -2.292 7.337 1.00 0.00 C ATOM 286 OG1 THR A 18 -4.740 -2.263 8.727 1.00 0.00 O ATOM 287 CG2 THR A 18 -4.689 -3.670 6.770 1.00 0.00 C ATOM 0 H THR A 18 -2.636 -0.998 8.056 1.00 0.00 H new ATOM 0 HA THR A 18 -4.252 -1.321 5.538 1.00 0.00 H new ATOM 0 HB THR A 18 -6.092 -2.093 7.184 1.00 0.00 H new ATOM 0 HG1 THR A 18 -5.271 -2.946 9.187 1.00 0.00 H new ATOM 0 HG21 THR A 18 -5.280 -4.430 7.280 1.00 0.00 H new ATOM 0 HG22 THR A 18 -4.914 -3.691 5.704 1.00 0.00 H new ATOM 0 HG23 THR A 18 -3.629 -3.873 6.921 1.00 0.00 H new ATOM 295 N THR A 19 -5.580 0.714 6.134 1.00 0.00 N ATOM 296 CA THR A 19 -6.139 2.074 6.400 1.00 0.00 C ATOM 297 C THR A 19 -7.584 2.155 5.894 1.00 0.00 C ATOM 298 O THR A 19 -8.015 1.345 5.095 1.00 0.00 O ATOM 299 CB THR A 19 -5.234 3.043 5.629 1.00 0.00 C ATOM 300 OG1 THR A 19 -5.699 4.372 5.820 1.00 0.00 O ATOM 301 CG2 THR A 19 -5.252 2.707 4.134 1.00 0.00 C ATOM 0 H THR A 19 -5.917 0.269 5.280 1.00 0.00 H new ATOM 0 HA THR A 19 -6.162 2.311 7.464 1.00 0.00 H new ATOM 0 HB THR A 19 -4.214 2.950 6.001 1.00 0.00 H new ATOM 0 HG1 THR A 19 -5.781 4.818 4.951 1.00 0.00 H new ATOM 0 HG21 THR A 19 -4.606 3.402 3.597 1.00 0.00 H new ATOM 0 HG22 THR A 19 -4.893 1.689 3.986 1.00 0.00 H new ATOM 0 HG23 THR A 19 -6.270 2.791 3.754 1.00 0.00 H new ATOM 309 N GLU A 20 -8.330 3.126 6.355 1.00 0.00 N ATOM 310 CA GLU A 20 -9.748 3.265 5.905 1.00 0.00 C ATOM 311 C GLU A 20 -9.821 4.120 4.636 1.00 0.00 C ATOM 312 O GLU A 20 -9.643 5.323 4.678 1.00 0.00 O ATOM 313 CB GLU A 20 -10.464 3.961 7.063 1.00 0.00 C ATOM 314 CG GLU A 20 -10.734 2.950 8.179 1.00 0.00 C ATOM 315 CD GLU A 20 -11.330 3.672 9.389 1.00 0.00 C ATOM 316 OE1 GLU A 20 -12.390 4.258 9.241 1.00 0.00 O ATOM 317 OE2 GLU A 20 -10.715 3.628 10.442 1.00 0.00 O ATOM 0 H GLU A 20 -8.018 3.830 7.024 1.00 0.00 H new ATOM 0 HA GLU A 20 -10.201 2.303 5.664 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -9.854 4.781 7.441 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -11.402 4.395 6.716 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -11.420 2.179 7.828 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -9.808 2.448 8.461 1.00 0.00 H new ATOM 324 N ALA A 21 -10.083 3.504 3.511 1.00 0.00 N ATOM 325 CA ALA A 21 -10.172 4.272 2.232 1.00 0.00 C ATOM 326 C ALA A 21 -11.464 3.914 1.492 1.00 0.00 C ATOM 327 O ALA A 21 -11.856 2.764 1.435 1.00 0.00 O ATOM 328 CB ALA A 21 -8.951 3.835 1.422 1.00 0.00 C ATOM 0 H ALA A 21 -10.239 2.500 3.423 1.00 0.00 H new ATOM 0 HA ALA A 21 -10.187 5.350 2.396 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -8.944 4.356 0.465 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -8.043 4.077 1.974 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -8.995 2.760 1.249 1.00 0.00 H new ATOM 334 N VAL A 22 -12.125 4.893 0.928 1.00 0.00 N ATOM 335 CA VAL A 22 -13.396 4.617 0.189 1.00 0.00 C ATOM 336 C VAL A 22 -13.132 3.663 -0.984 1.00 0.00 C ATOM 337 O VAL A 22 -13.979 2.870 -1.351 1.00 0.00 O ATOM 338 CB VAL A 22 -13.879 5.987 -0.309 1.00 0.00 C ATOM 339 CG1 VAL A 22 -12.831 6.610 -1.236 1.00 0.00 C ATOM 340 CG2 VAL A 22 -15.197 5.822 -1.071 1.00 0.00 C ATOM 0 H VAL A 22 -11.840 5.872 0.947 1.00 0.00 H new ATOM 0 HA VAL A 22 -14.144 4.135 0.818 1.00 0.00 H new ATOM 0 HB VAL A 22 -14.031 6.641 0.550 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -13.184 7.581 -1.583 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -11.894 6.737 -0.693 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -12.668 5.956 -2.092 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -15.538 6.796 -1.423 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -15.044 5.161 -1.924 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -15.949 5.392 -0.409 1.00 0.00 H new ATOM 350 N ASP A 23 -11.963 3.735 -1.569 1.00 0.00 N ATOM 351 CA ASP A 23 -11.632 2.834 -2.718 1.00 0.00 C ATOM 352 C ASP A 23 -10.150 2.959 -3.084 1.00 0.00 C ATOM 353 O ASP A 23 -9.412 3.706 -2.470 1.00 0.00 O ATOM 354 CB ASP A 23 -12.521 3.295 -3.884 1.00 0.00 C ATOM 355 CG ASP A 23 -12.350 4.800 -4.132 1.00 0.00 C ATOM 356 OD1 ASP A 23 -11.246 5.291 -3.964 1.00 0.00 O ATOM 357 OD2 ASP A 23 -13.330 5.435 -4.487 1.00 0.00 O ATOM 0 H ASP A 23 -11.220 4.381 -1.300 1.00 0.00 H new ATOM 0 HA ASP A 23 -11.811 1.787 -2.473 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -12.263 2.741 -4.786 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -13.565 3.074 -3.662 1.00 0.00 H new ATOM 362 N ALA A 24 -9.710 2.226 -4.077 1.00 0.00 N ATOM 363 CA ALA A 24 -8.274 2.285 -4.488 1.00 0.00 C ATOM 364 C ALA A 24 -7.868 3.720 -4.841 1.00 0.00 C ATOM 365 O ALA A 24 -6.733 4.116 -4.653 1.00 0.00 O ATOM 366 CB ALA A 24 -8.168 1.384 -5.721 1.00 0.00 C ATOM 0 H ALA A 24 -10.287 1.586 -4.623 1.00 0.00 H new ATOM 0 HA ALA A 24 -7.613 1.960 -3.685 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -7.139 1.378 -6.080 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -8.466 0.369 -5.457 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -8.823 1.762 -6.505 1.00 0.00 H new ATOM 372 N ALA A 25 -8.789 4.498 -5.352 1.00 0.00 N ATOM 373 CA ALA A 25 -8.462 5.912 -5.722 1.00 0.00 C ATOM 374 C ALA A 25 -7.995 6.690 -4.486 1.00 0.00 C ATOM 375 O ALA A 25 -7.223 7.625 -4.588 1.00 0.00 O ATOM 376 CB ALA A 25 -9.767 6.501 -6.268 1.00 0.00 C ATOM 0 H ALA A 25 -9.753 4.217 -5.529 1.00 0.00 H new ATOM 0 HA ALA A 25 -7.657 5.967 -6.455 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -9.604 7.538 -6.560 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -10.091 5.926 -7.136 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -10.536 6.458 -5.497 1.00 0.00 H new ATOM 382 N THR A 26 -8.458 6.307 -3.323 1.00 0.00 N ATOM 383 CA THR A 26 -8.047 7.019 -2.075 1.00 0.00 C ATOM 384 C THR A 26 -7.100 6.142 -1.250 1.00 0.00 C ATOM 385 O THR A 26 -6.269 6.638 -0.512 1.00 0.00 O ATOM 386 CB THR A 26 -9.350 7.266 -1.314 1.00 0.00 C ATOM 387 OG1 THR A 26 -10.323 7.796 -2.204 1.00 0.00 O ATOM 388 CG2 THR A 26 -9.100 8.259 -0.178 1.00 0.00 C ATOM 0 H THR A 26 -9.104 5.530 -3.184 1.00 0.00 H new ATOM 0 HA THR A 26 -7.515 7.947 -2.285 1.00 0.00 H new ATOM 0 HB THR A 26 -9.712 6.326 -0.898 1.00 0.00 H new ATOM 0 HG1 THR A 26 -10.836 8.496 -1.749 1.00 0.00 H new ATOM 0 HG21 THR A 26 -10.030 8.434 0.363 1.00 0.00 H new ATOM 0 HG22 THR A 26 -8.354 7.851 0.504 1.00 0.00 H new ATOM 0 HG23 THR A 26 -8.738 9.201 -0.591 1.00 0.00 H new ATOM 396 N ALA A 27 -7.220 4.843 -1.371 1.00 0.00 N ATOM 397 CA ALA A 27 -6.327 3.926 -0.594 1.00 0.00 C ATOM 398 C ALA A 27 -4.862 4.177 -0.961 1.00 0.00 C ATOM 399 O ALA A 27 -4.036 4.438 -0.106 1.00 0.00 O ATOM 400 CB ALA A 27 -6.744 2.512 -1.004 1.00 0.00 C ATOM 0 H ALA A 27 -7.898 4.377 -1.974 1.00 0.00 H new ATOM 0 HA ALA A 27 -6.419 4.081 0.481 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -6.131 1.784 -0.473 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -7.793 2.355 -0.753 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -6.605 2.389 -2.078 1.00 0.00 H new ATOM 406 N GLU A 28 -4.538 4.103 -2.227 1.00 0.00 N ATOM 407 CA GLU A 28 -3.125 4.340 -2.661 1.00 0.00 C ATOM 408 C GLU A 28 -2.680 5.748 -2.267 1.00 0.00 C ATOM 409 O GLU A 28 -1.526 5.977 -1.978 1.00 0.00 O ATOM 410 CB GLU A 28 -3.138 4.191 -4.184 1.00 0.00 C ATOM 411 CG GLU A 28 -1.700 4.095 -4.700 1.00 0.00 C ATOM 412 CD GLU A 28 -1.711 3.695 -6.176 1.00 0.00 C ATOM 413 OE1 GLU A 28 -1.853 2.515 -6.449 1.00 0.00 O ATOM 414 OE2 GLU A 28 -1.577 4.577 -7.009 1.00 0.00 O ATOM 0 H GLU A 28 -5.191 3.888 -2.981 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.432 3.642 -2.192 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -3.698 3.300 -4.468 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -3.643 5.043 -4.639 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -1.194 5.052 -4.576 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -1.142 3.361 -4.118 1.00 0.00 H new ATOM 421 N LYS A 29 -3.587 6.692 -2.248 1.00 0.00 N ATOM 422 CA LYS A 29 -3.209 8.092 -1.869 1.00 0.00 C ATOM 423 C LYS A 29 -2.596 8.117 -0.463 1.00 0.00 C ATOM 424 O LYS A 29 -1.630 8.814 -0.212 1.00 0.00 O ATOM 425 CB LYS A 29 -4.515 8.886 -1.899 1.00 0.00 C ATOM 426 CG LYS A 29 -4.203 10.383 -1.874 1.00 0.00 C ATOM 427 CD LYS A 29 -5.278 11.141 -2.657 1.00 0.00 C ATOM 428 CE LYS A 29 -4.828 11.309 -4.109 1.00 0.00 C ATOM 429 NZ LYS A 29 -5.908 12.104 -4.757 1.00 0.00 N ATOM 0 H LYS A 29 -4.572 6.556 -2.478 1.00 0.00 H new ATOM 0 HA LYS A 29 -2.465 8.511 -2.547 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -5.084 8.637 -2.795 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -5.135 8.619 -1.043 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -4.167 10.741 -0.845 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -3.221 10.568 -2.310 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -6.222 10.598 -2.618 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -5.453 12.117 -2.204 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -3.869 11.824 -4.168 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -4.702 10.343 -4.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -5.671 12.261 -5.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -6.807 11.586 -4.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -6.001 13.021 -4.275 1.00 0.00 H new ATOM 443 N VAL A 30 -3.149 7.359 0.448 1.00 0.00 N ATOM 444 CA VAL A 30 -2.602 7.328 1.838 1.00 0.00 C ATOM 445 C VAL A 30 -1.406 6.374 1.905 1.00 0.00 C ATOM 446 O VAL A 30 -0.385 6.687 2.489 1.00 0.00 O ATOM 447 CB VAL A 30 -3.755 6.815 2.709 1.00 0.00 C ATOM 448 CG1 VAL A 30 -3.299 6.715 4.168 1.00 0.00 C ATOM 449 CG2 VAL A 30 -4.936 7.784 2.614 1.00 0.00 C ATOM 0 H VAL A 30 -3.958 6.758 0.289 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.251 8.305 2.170 1.00 0.00 H new ATOM 0 HB VAL A 30 -4.059 5.829 2.357 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -4.122 6.350 4.782 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -2.459 6.025 4.240 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -2.991 7.699 4.521 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -5.756 7.420 3.233 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -4.627 8.769 2.963 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -5.267 7.854 1.578 1.00 0.00 H new ATOM 459 N PHE A 31 -1.531 5.213 1.315 1.00 0.00 N ATOM 460 CA PHE A 31 -0.406 4.231 1.344 1.00 0.00 C ATOM 461 C PHE A 31 0.789 4.773 0.560 1.00 0.00 C ATOM 462 O PHE A 31 1.928 4.586 0.947 1.00 0.00 O ATOM 463 CB PHE A 31 -0.952 2.962 0.684 1.00 0.00 C ATOM 464 CG PHE A 31 -1.731 2.144 1.692 1.00 0.00 C ATOM 465 CD1 PHE A 31 -1.182 1.858 2.951 1.00 0.00 C ATOM 466 CD2 PHE A 31 -3.004 1.666 1.363 1.00 0.00 C ATOM 467 CE1 PHE A 31 -1.906 1.097 3.875 1.00 0.00 C ATOM 468 CE2 PHE A 31 -3.728 0.905 2.289 1.00 0.00 C ATOM 469 CZ PHE A 31 -3.179 0.621 3.544 1.00 0.00 C ATOM 0 H PHE A 31 -2.364 4.903 0.814 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.060 4.038 2.359 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -1.595 3.227 -0.155 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -0.130 2.370 0.281 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -0.199 2.226 3.207 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -3.429 1.884 0.394 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -1.482 0.877 4.844 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -4.711 0.537 2.034 1.00 0.00 H new ATOM 0 HZ PHE A 31 -3.738 0.034 4.258 1.00 0.00 H new ATOM 479 N LYS A 32 0.541 5.446 -0.537 1.00 0.00 N ATOM 480 CA LYS A 32 1.668 6.007 -1.342 1.00 0.00 C ATOM 481 C LYS A 32 2.438 7.023 -0.498 1.00 0.00 C ATOM 482 O LYS A 32 3.651 7.002 -0.442 1.00 0.00 O ATOM 483 CB LYS A 32 1.020 6.690 -2.549 1.00 0.00 C ATOM 484 CG LYS A 32 2.107 7.249 -3.469 1.00 0.00 C ATOM 485 CD LYS A 32 2.419 6.232 -4.568 1.00 0.00 C ATOM 486 CE LYS A 32 3.696 6.649 -5.302 1.00 0.00 C ATOM 487 NZ LYS A 32 4.315 5.371 -5.752 1.00 0.00 N ATOM 0 H LYS A 32 -0.391 5.630 -0.908 1.00 0.00 H new ATOM 0 HA LYS A 32 2.373 5.238 -1.658 1.00 0.00 H new ATOM 0 HB2 LYS A 32 0.400 5.977 -3.093 1.00 0.00 H new ATOM 0 HB3 LYS A 32 0.363 7.494 -2.215 1.00 0.00 H new ATOM 0 HG2 LYS A 32 1.776 8.188 -3.912 1.00 0.00 H new ATOM 0 HG3 LYS A 32 3.007 7.467 -2.895 1.00 0.00 H new ATOM 0 HD2 LYS A 32 2.543 5.239 -4.135 1.00 0.00 H new ATOM 0 HD3 LYS A 32 1.587 6.172 -5.269 1.00 0.00 H new ATOM 0 HE2 LYS A 32 3.471 7.298 -6.148 1.00 0.00 H new ATOM 0 HE3 LYS A 32 4.366 7.203 -4.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 5.197 5.574 -6.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 4.524 4.776 -4.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 3.657 4.869 -6.382 1.00 0.00 H new ATOM 501 N GLN A 33 1.734 7.901 0.175 1.00 0.00 N ATOM 502 CA GLN A 33 2.419 8.912 1.038 1.00 0.00 C ATOM 503 C GLN A 33 3.183 8.195 2.147 1.00 0.00 C ATOM 504 O GLN A 33 4.247 8.610 2.563 1.00 0.00 O ATOM 505 CB GLN A 33 1.297 9.776 1.624 1.00 0.00 C ATOM 506 CG GLN A 33 1.896 10.884 2.500 1.00 0.00 C ATOM 507 CD GLN A 33 2.817 11.779 1.663 1.00 0.00 C ATOM 508 OE1 GLN A 33 3.892 12.138 2.099 1.00 0.00 O ATOM 509 NE2 GLN A 33 2.440 12.153 0.471 1.00 0.00 N ATOM 0 H GLN A 33 0.716 7.961 0.164 1.00 0.00 H new ATOM 0 HA GLN A 33 3.136 9.518 0.484 1.00 0.00 H new ATOM 0 HB2 GLN A 33 0.706 10.215 0.820 1.00 0.00 H new ATOM 0 HB3 GLN A 33 0.621 9.158 2.215 1.00 0.00 H new ATOM 0 HG2 GLN A 33 1.098 11.481 2.940 1.00 0.00 H new ATOM 0 HG3 GLN A 33 2.456 10.443 3.325 1.00 0.00 H new ATOM 0 HE21 GLN A 33 1.537 11.852 0.104 1.00 0.00 H new ATOM 0 HE22 GLN A 33 3.048 12.746 -0.093 1.00 0.00 H new ATOM 518 N TYR A 34 2.640 7.107 2.604 1.00 0.00 N ATOM 519 CA TYR A 34 3.309 6.309 3.673 1.00 0.00 C ATOM 520 C TYR A 34 4.620 5.732 3.114 1.00 0.00 C ATOM 521 O TYR A 34 5.668 5.840 3.722 1.00 0.00 O ATOM 522 CB TYR A 34 2.274 5.210 4.029 1.00 0.00 C ATOM 523 CG TYR A 34 2.942 3.949 4.537 1.00 0.00 C ATOM 524 CD1 TYR A 34 3.337 3.861 5.872 1.00 0.00 C ATOM 525 CD2 TYR A 34 3.163 2.876 3.665 1.00 0.00 C ATOM 526 CE1 TYR A 34 3.956 2.697 6.343 1.00 0.00 C ATOM 527 CE2 TYR A 34 3.781 1.711 4.131 1.00 0.00 C ATOM 528 CZ TYR A 34 4.179 1.621 5.472 1.00 0.00 C ATOM 529 OH TYR A 34 4.789 0.473 5.936 1.00 0.00 O ATOM 0 H TYR A 34 1.750 6.728 2.281 1.00 0.00 H new ATOM 0 HA TYR A 34 3.583 6.881 4.559 1.00 0.00 H new ATOM 0 HB2 TYR A 34 1.589 5.589 4.787 1.00 0.00 H new ATOM 0 HB3 TYR A 34 1.677 4.975 3.148 1.00 0.00 H new ATOM 0 HD1 TYR A 34 3.165 4.691 6.542 1.00 0.00 H new ATOM 0 HD2 TYR A 34 2.856 2.948 2.632 1.00 0.00 H new ATOM 0 HE1 TYR A 34 4.262 2.628 7.377 1.00 0.00 H new ATOM 0 HE2 TYR A 34 3.951 0.883 3.459 1.00 0.00 H new ATOM 0 HH TYR A 34 4.579 0.352 6.885 1.00 0.00 H new ATOM 539 N ALA A 35 4.553 5.119 1.962 1.00 0.00 N ATOM 540 CA ALA A 35 5.779 4.524 1.349 1.00 0.00 C ATOM 541 C ALA A 35 6.694 5.625 0.807 1.00 0.00 C ATOM 542 O ALA A 35 7.893 5.599 1.008 1.00 0.00 O ATOM 543 CB ALA A 35 5.264 3.646 0.209 1.00 0.00 C ATOM 0 H ALA A 35 3.699 5.004 1.416 1.00 0.00 H new ATOM 0 HA ALA A 35 6.365 3.956 2.071 1.00 0.00 H new ATOM 0 HB1 ALA A 35 6.107 3.171 -0.294 1.00 0.00 H new ATOM 0 HB2 ALA A 35 4.602 2.879 0.611 1.00 0.00 H new ATOM 0 HB3 ALA A 35 4.715 4.261 -0.504 1.00 0.00 H new ATOM 549 N ASN A 36 6.138 6.589 0.115 1.00 0.00 N ATOM 550 CA ASN A 36 6.968 7.696 -0.452 1.00 0.00 C ATOM 551 C ASN A 36 7.767 8.393 0.655 1.00 0.00 C ATOM 552 O ASN A 36 8.917 8.747 0.472 1.00 0.00 O ATOM 553 CB ASN A 36 5.970 8.670 -1.084 1.00 0.00 C ATOM 554 CG ASN A 36 6.703 9.583 -2.068 1.00 0.00 C ATOM 555 OD1 ASN A 36 6.776 10.779 -1.866 1.00 0.00 O ATOM 556 ND2 ASN A 36 7.253 9.067 -3.133 1.00 0.00 N ATOM 0 H ASN A 36 5.140 6.657 -0.082 1.00 0.00 H new ATOM 0 HA ASN A 36 7.691 7.326 -1.179 1.00 0.00 H new ATOM 0 HB2 ASN A 36 5.184 8.118 -1.599 1.00 0.00 H new ATOM 0 HB3 ASN A 36 5.486 9.266 -0.310 1.00 0.00 H new ATOM 0 HD21 ASN A 36 7.744 9.668 -3.795 1.00 0.00 H new ATOM 0 HD22 ASN A 36 7.192 8.063 -3.303 1.00 0.00 H new ATOM 563 N ASP A 37 7.163 8.589 1.799 1.00 0.00 N ATOM 564 CA ASP A 37 7.880 9.260 2.926 1.00 0.00 C ATOM 565 C ASP A 37 8.883 8.294 3.561 1.00 0.00 C ATOM 566 O ASP A 37 9.922 8.696 4.051 1.00 0.00 O ATOM 567 CB ASP A 37 6.788 9.635 3.930 1.00 0.00 C ATOM 568 CG ASP A 37 7.275 10.788 4.809 1.00 0.00 C ATOM 569 OD1 ASP A 37 7.336 11.901 4.312 1.00 0.00 O ATOM 570 OD2 ASP A 37 7.579 10.539 5.964 1.00 0.00 O ATOM 0 H ASP A 37 6.202 8.313 2.002 1.00 0.00 H new ATOM 0 HA ASP A 37 8.442 10.133 2.594 1.00 0.00 H new ATOM 0 HB2 ASP A 37 5.879 9.925 3.403 1.00 0.00 H new ATOM 0 HB3 ASP A 37 6.537 8.773 4.549 1.00 0.00 H new ATOM 575 N ASN A 38 8.578 7.021 3.551 1.00 0.00 N ATOM 576 CA ASN A 38 9.508 6.016 4.149 1.00 0.00 C ATOM 577 C ASN A 38 10.638 5.699 3.167 1.00 0.00 C ATOM 578 O ASN A 38 11.786 5.569 3.550 1.00 0.00 O ATOM 579 CB ASN A 38 8.648 4.776 4.395 1.00 0.00 C ATOM 580 CG ASN A 38 8.084 4.817 5.816 1.00 0.00 C ATOM 581 OD1 ASN A 38 8.795 4.579 6.772 1.00 0.00 O ATOM 582 ND2 ASN A 38 6.825 5.111 5.997 1.00 0.00 N ATOM 0 H ASN A 38 7.722 6.634 3.153 1.00 0.00 H new ATOM 0 HA ASN A 38 9.973 6.376 5.067 1.00 0.00 H new ATOM 0 HB2 ASN A 38 7.834 4.736 3.671 1.00 0.00 H new ATOM 0 HB3 ASN A 38 9.244 3.874 4.255 1.00 0.00 H new ATOM 0 HD21 ASN A 38 6.439 5.141 6.941 1.00 0.00 H new ATOM 0 HD22 ASN A 38 6.228 5.311 5.195 1.00 0.00 H new ATOM 589 N GLY A 39 10.317 5.575 1.905 1.00 0.00 N ATOM 590 CA GLY A 39 11.363 5.269 0.886 1.00 0.00 C ATOM 591 C GLY A 39 11.064 3.918 0.231 1.00 0.00 C ATOM 592 O GLY A 39 11.964 3.158 -0.074 1.00 0.00 O ATOM 0 H GLY A 39 9.371 5.673 1.536 1.00 0.00 H new ATOM 0 HA2 GLY A 39 11.388 6.053 0.130 1.00 0.00 H new ATOM 0 HA3 GLY A 39 12.347 5.247 1.355 1.00 0.00 H new ATOM 596 N ILE A 40 9.808 3.616 0.011 1.00 0.00 N ATOM 597 CA ILE A 40 9.450 2.313 -0.628 1.00 0.00 C ATOM 598 C ILE A 40 9.072 2.531 -2.097 1.00 0.00 C ATOM 599 O ILE A 40 7.960 2.254 -2.508 1.00 0.00 O ATOM 600 CB ILE A 40 8.259 1.779 0.180 1.00 0.00 C ATOM 601 CG1 ILE A 40 8.719 1.513 1.618 1.00 0.00 C ATOM 602 CG2 ILE A 40 7.742 0.470 -0.444 1.00 0.00 C ATOM 603 CD1 ILE A 40 7.529 1.081 2.479 1.00 0.00 C ATOM 0 H ILE A 40 9.017 4.215 0.246 1.00 0.00 H new ATOM 0 HA ILE A 40 10.280 1.607 -0.623 1.00 0.00 H new ATOM 0 HB ILE A 40 7.454 2.514 0.173 1.00 0.00 H new ATOM 0 HG12 ILE A 40 9.484 0.737 1.626 1.00 0.00 H new ATOM 0 HG13 ILE A 40 9.173 2.412 2.035 1.00 0.00 H new ATOM 0 HG21 ILE A 40 6.897 0.099 0.136 1.00 0.00 H new ATOM 0 HG22 ILE A 40 7.424 0.657 -1.470 1.00 0.00 H new ATOM 0 HG23 ILE A 40 8.539 -0.274 -0.441 1.00 0.00 H new ATOM 0 HD11 ILE A 40 7.866 0.894 3.499 1.00 0.00 H new ATOM 0 HD12 ILE A 40 6.778 1.871 2.484 1.00 0.00 H new ATOM 0 HD13 ILE A 40 7.094 0.170 2.068 1.00 0.00 H new ATOM 615 N ASP A 41 9.996 3.008 -2.892 1.00 0.00 N ATOM 616 CA ASP A 41 9.706 3.223 -4.340 1.00 0.00 C ATOM 617 C ASP A 41 9.952 1.916 -5.097 1.00 0.00 C ATOM 618 O ASP A 41 10.753 1.853 -6.011 1.00 0.00 O ATOM 619 CB ASP A 41 10.689 4.304 -4.790 1.00 0.00 C ATOM 620 CG ASP A 41 10.127 5.027 -6.016 1.00 0.00 C ATOM 621 OD1 ASP A 41 10.014 4.393 -7.052 1.00 0.00 O ATOM 622 OD2 ASP A 41 9.819 6.201 -5.898 1.00 0.00 O ATOM 0 H ASP A 41 10.940 3.258 -2.599 1.00 0.00 H new ATOM 0 HA ASP A 41 8.675 3.524 -4.527 1.00 0.00 H new ATOM 0 HB2 ASP A 41 10.859 5.015 -3.982 1.00 0.00 H new ATOM 0 HB3 ASP A 41 11.654 3.856 -5.029 1.00 0.00 H new ATOM 627 N GLY A 42 9.276 0.868 -4.702 1.00 0.00 N ATOM 628 CA GLY A 42 9.464 -0.452 -5.362 1.00 0.00 C ATOM 629 C GLY A 42 8.554 -0.567 -6.581 1.00 0.00 C ATOM 630 O GLY A 42 8.384 0.370 -7.338 1.00 0.00 O ATOM 0 H GLY A 42 8.596 0.874 -3.942 1.00 0.00 H new ATOM 0 HA2 GLY A 42 10.505 -0.571 -5.664 1.00 0.00 H new ATOM 0 HA3 GLY A 42 9.243 -1.254 -4.657 1.00 0.00 H new ATOM 634 N GLU A 43 7.961 -1.717 -6.762 1.00 0.00 N ATOM 635 CA GLU A 43 7.048 -1.927 -7.908 1.00 0.00 C ATOM 636 C GLU A 43 5.647 -2.197 -7.376 1.00 0.00 C ATOM 637 O GLU A 43 5.367 -3.256 -6.845 1.00 0.00 O ATOM 638 CB GLU A 43 7.600 -3.143 -8.652 1.00 0.00 C ATOM 639 CG GLU A 43 8.985 -2.812 -9.212 1.00 0.00 C ATOM 640 CD GLU A 43 9.634 -4.086 -9.755 1.00 0.00 C ATOM 641 OE1 GLU A 43 9.734 -5.043 -9.005 1.00 0.00 O ATOM 642 OE2 GLU A 43 10.019 -4.083 -10.912 1.00 0.00 O ATOM 0 H GLU A 43 8.076 -2.527 -6.153 1.00 0.00 H new ATOM 0 HA GLU A 43 6.988 -1.063 -8.570 1.00 0.00 H new ATOM 0 HB2 GLU A 43 7.663 -3.997 -7.978 1.00 0.00 H new ATOM 0 HB3 GLU A 43 6.926 -3.424 -9.461 1.00 0.00 H new ATOM 0 HG2 GLU A 43 8.900 -2.068 -10.004 1.00 0.00 H new ATOM 0 HG3 GLU A 43 9.610 -2.377 -8.432 1.00 0.00 H new ATOM 649 N TRP A 44 4.780 -1.230 -7.479 1.00 0.00 N ATOM 650 CA TRP A 44 3.407 -1.395 -6.945 1.00 0.00 C ATOM 651 C TRP A 44 2.547 -2.297 -7.820 1.00 0.00 C ATOM 652 O TRP A 44 2.598 -2.261 -9.034 1.00 0.00 O ATOM 653 CB TRP A 44 2.823 0.010 -6.890 1.00 0.00 C ATOM 654 CG TRP A 44 3.476 0.738 -5.770 1.00 0.00 C ATOM 655 CD1 TRP A 44 4.738 1.221 -5.793 1.00 0.00 C ATOM 656 CD2 TRP A 44 2.936 1.051 -4.459 1.00 0.00 C ATOM 657 NE1 TRP A 44 5.005 1.819 -4.576 1.00 0.00 N ATOM 658 CE2 TRP A 44 3.923 1.739 -3.721 1.00 0.00 C ATOM 659 CE3 TRP A 44 1.693 0.810 -3.844 1.00 0.00 C ATOM 660 CZ2 TRP A 44 3.690 2.171 -2.420 1.00 0.00 C ATOM 661 CZ3 TRP A 44 1.455 1.245 -2.531 1.00 0.00 C ATOM 662 CH2 TRP A 44 2.452 1.925 -1.820 1.00 0.00 C ATOM 0 H TRP A 44 4.968 -0.327 -7.914 1.00 0.00 H new ATOM 0 HA TRP A 44 3.431 -1.876 -5.967 1.00 0.00 H new ATOM 0 HB2 TRP A 44 2.993 0.530 -7.833 1.00 0.00 H new ATOM 0 HB3 TRP A 44 1.744 -0.032 -6.739 1.00 0.00 H new ATOM 0 HD1 TRP A 44 5.424 1.151 -6.624 1.00 0.00 H new ATOM 0 HE1 TRP A 44 5.891 2.264 -4.339 1.00 0.00 H new ATOM 0 HE3 TRP A 44 0.918 0.288 -4.385 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 4.462 2.694 -1.876 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 0.499 1.055 -2.067 1.00 0.00 H new ATOM 0 HH2 TRP A 44 2.264 2.259 -0.810 1.00 0.00 H new ATOM 673 N THR A 45 1.734 -3.085 -7.181 1.00 0.00 N ATOM 674 CA THR A 45 0.810 -3.996 -7.904 1.00 0.00 C ATOM 675 C THR A 45 -0.450 -4.144 -7.059 1.00 0.00 C ATOM 676 O THR A 45 -0.381 -4.345 -5.860 1.00 0.00 O ATOM 677 CB THR A 45 1.536 -5.337 -8.040 1.00 0.00 C ATOM 678 OG1 THR A 45 2.413 -5.532 -6.938 1.00 0.00 O ATOM 679 CG2 THR A 45 2.339 -5.356 -9.341 1.00 0.00 C ATOM 0 H THR A 45 1.670 -3.137 -6.164 1.00 0.00 H new ATOM 0 HA THR A 45 0.531 -3.624 -8.890 1.00 0.00 H new ATOM 0 HB THR A 45 0.798 -6.139 -8.054 1.00 0.00 H new ATOM 0 HG1 THR A 45 2.872 -6.393 -7.033 1.00 0.00 H new ATOM 0 HG21 THR A 45 2.855 -6.311 -9.436 1.00 0.00 H new ATOM 0 HG22 THR A 45 1.665 -5.222 -10.187 1.00 0.00 H new ATOM 0 HG23 THR A 45 3.071 -4.548 -9.329 1.00 0.00 H new ATOM 687 N TYR A 46 -1.593 -4.014 -7.664 1.00 0.00 N ATOM 688 CA TYR A 46 -2.865 -4.110 -6.893 1.00 0.00 C ATOM 689 C TYR A 46 -3.566 -5.443 -7.188 1.00 0.00 C ATOM 690 O TYR A 46 -4.049 -5.672 -8.281 1.00 0.00 O ATOM 691 CB TYR A 46 -3.681 -2.904 -7.392 1.00 0.00 C ATOM 692 CG TYR A 46 -5.124 -2.975 -6.933 1.00 0.00 C ATOM 693 CD1 TYR A 46 -5.465 -2.669 -5.608 1.00 0.00 C ATOM 694 CD2 TYR A 46 -6.124 -3.329 -7.846 1.00 0.00 C ATOM 695 CE1 TYR A 46 -6.801 -2.720 -5.200 1.00 0.00 C ATOM 696 CE2 TYR A 46 -7.461 -3.377 -7.439 1.00 0.00 C ATOM 697 CZ TYR A 46 -7.800 -3.072 -6.117 1.00 0.00 C ATOM 698 OH TYR A 46 -9.119 -3.117 -5.719 1.00 0.00 O ATOM 0 H TYR A 46 -1.705 -3.845 -8.664 1.00 0.00 H new ATOM 0 HA TYR A 46 -2.725 -4.088 -5.812 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -3.228 -1.982 -7.027 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -3.647 -2.867 -8.481 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -4.695 -2.394 -4.902 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -5.863 -3.566 -8.867 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -7.063 -2.488 -4.178 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -8.231 -3.649 -8.145 1.00 0.00 H new ATOM 0 HH TYR A 46 -9.681 -3.377 -6.478 1.00 0.00 H new ATOM 708 N ASP A 47 -3.626 -6.314 -6.214 1.00 0.00 N ATOM 709 CA ASP A 47 -4.297 -7.630 -6.418 1.00 0.00 C ATOM 710 C ASP A 47 -5.802 -7.488 -6.172 1.00 0.00 C ATOM 711 O ASP A 47 -6.238 -7.259 -5.059 1.00 0.00 O ATOM 712 CB ASP A 47 -3.665 -8.563 -5.384 1.00 0.00 C ATOM 713 CG ASP A 47 -2.514 -9.336 -6.031 1.00 0.00 C ATOM 714 OD1 ASP A 47 -2.791 -10.304 -6.720 1.00 0.00 O ATOM 715 OD2 ASP A 47 -1.376 -8.948 -5.826 1.00 0.00 O ATOM 0 H ASP A 47 -3.237 -6.168 -5.282 1.00 0.00 H new ATOM 0 HA ASP A 47 -4.173 -8.010 -7.432 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -3.298 -7.987 -4.535 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -4.413 -9.257 -4.999 1.00 0.00 H new ATOM 720 N ASP A 48 -6.593 -7.619 -7.205 1.00 0.00 N ATOM 721 CA ASP A 48 -8.075 -7.488 -7.043 1.00 0.00 C ATOM 722 C ASP A 48 -8.643 -8.686 -6.274 1.00 0.00 C ATOM 723 O ASP A 48 -9.714 -8.610 -5.701 1.00 0.00 O ATOM 724 CB ASP A 48 -8.632 -7.453 -8.468 1.00 0.00 C ATOM 725 CG ASP A 48 -10.122 -7.109 -8.426 1.00 0.00 C ATOM 726 OD1 ASP A 48 -10.461 -6.107 -7.818 1.00 0.00 O ATOM 727 OD2 ASP A 48 -10.898 -7.854 -9.002 1.00 0.00 O ATOM 0 H ASP A 48 -6.278 -7.811 -8.156 1.00 0.00 H new ATOM 0 HA ASP A 48 -8.344 -6.597 -6.477 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -8.094 -6.714 -9.062 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -8.485 -8.419 -8.951 1.00 0.00 H new ATOM 732 N ALA A 49 -7.938 -9.794 -6.259 1.00 0.00 N ATOM 733 CA ALA A 49 -8.436 -11.004 -5.531 1.00 0.00 C ATOM 734 C ALA A 49 -8.794 -10.662 -4.079 1.00 0.00 C ATOM 735 O ALA A 49 -9.730 -11.202 -3.520 1.00 0.00 O ATOM 736 CB ALA A 49 -7.277 -12.003 -5.571 1.00 0.00 C ATOM 0 H ALA A 49 -7.036 -9.911 -6.721 1.00 0.00 H new ATOM 0 HA ALA A 49 -9.341 -11.404 -5.990 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -7.568 -12.918 -5.055 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -7.031 -12.233 -6.608 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -6.406 -11.570 -5.079 1.00 0.00 H new ATOM 742 N THR A 50 -8.054 -9.769 -3.469 1.00 0.00 N ATOM 743 CA THR A 50 -8.347 -9.390 -2.053 1.00 0.00 C ATOM 744 C THR A 50 -7.981 -7.921 -1.791 1.00 0.00 C ATOM 745 O THR A 50 -7.832 -7.509 -0.656 1.00 0.00 O ATOM 746 CB THR A 50 -7.471 -10.318 -1.210 1.00 0.00 C ATOM 747 OG1 THR A 50 -6.110 -10.144 -1.578 1.00 0.00 O ATOM 748 CG2 THR A 50 -7.885 -11.772 -1.450 1.00 0.00 C ATOM 0 H THR A 50 -7.260 -9.287 -3.891 1.00 0.00 H new ATOM 0 HA THR A 50 -9.406 -9.491 -1.816 1.00 0.00 H new ATOM 0 HB THR A 50 -7.596 -10.077 -0.154 1.00 0.00 H new ATOM 0 HG1 THR A 50 -5.547 -10.737 -1.038 1.00 0.00 H new ATOM 0 HG21 THR A 50 -7.260 -12.432 -0.849 1.00 0.00 H new ATOM 0 HG22 THR A 50 -8.929 -11.904 -1.167 1.00 0.00 H new ATOM 0 HG23 THR A 50 -7.761 -12.016 -2.505 1.00 0.00 H new ATOM 756 N LYS A 51 -7.841 -7.125 -2.828 1.00 0.00 N ATOM 757 CA LYS A 51 -7.490 -5.675 -2.642 1.00 0.00 C ATOM 758 C LYS A 51 -6.269 -5.518 -1.724 1.00 0.00 C ATOM 759 O LYS A 51 -6.397 -5.462 -0.514 1.00 0.00 O ATOM 760 CB LYS A 51 -8.733 -5.040 -2.000 1.00 0.00 C ATOM 761 CG LYS A 51 -9.323 -3.985 -2.942 1.00 0.00 C ATOM 762 CD LYS A 51 -10.490 -4.592 -3.727 1.00 0.00 C ATOM 763 CE LYS A 51 -11.662 -4.862 -2.780 1.00 0.00 C ATOM 764 NZ LYS A 51 -12.324 -6.079 -3.327 1.00 0.00 N ATOM 0 H LYS A 51 -7.955 -7.417 -3.799 1.00 0.00 H new ATOM 0 HA LYS A 51 -7.228 -5.199 -3.587 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -9.477 -5.808 -1.788 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -8.468 -4.582 -1.047 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -9.666 -3.123 -2.370 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -8.556 -3.627 -3.629 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -10.800 -3.912 -4.521 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -10.176 -5.519 -4.206 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -11.316 -5.025 -1.759 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -12.350 -4.017 -2.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -13.139 -6.328 -2.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -12.649 -5.891 -4.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -11.647 -6.868 -3.335 1.00 0.00 H new ATOM 778 N THR A 52 -5.090 -5.444 -2.291 1.00 0.00 N ATOM 779 CA THR A 52 -3.866 -5.291 -1.450 1.00 0.00 C ATOM 780 C THR A 52 -2.710 -4.709 -2.269 1.00 0.00 C ATOM 781 O THR A 52 -2.090 -5.398 -3.056 1.00 0.00 O ATOM 782 CB THR A 52 -3.532 -6.712 -0.988 1.00 0.00 C ATOM 783 OG1 THR A 52 -4.655 -7.265 -0.317 1.00 0.00 O ATOM 784 CG2 THR A 52 -2.333 -6.677 -0.037 1.00 0.00 C ATOM 0 H THR A 52 -4.924 -5.483 -3.297 1.00 0.00 H new ATOM 0 HA THR A 52 -4.026 -4.609 -0.615 1.00 0.00 H new ATOM 0 HB THR A 52 -3.285 -7.326 -1.854 1.00 0.00 H new ATOM 0 HG1 THR A 52 -5.236 -6.542 -0.001 1.00 0.00 H new ATOM 0 HG21 THR A 52 -2.098 -7.690 0.290 1.00 0.00 H new ATOM 0 HG22 THR A 52 -1.471 -6.253 -0.553 1.00 0.00 H new ATOM 0 HG23 THR A 52 -2.574 -6.063 0.830 1.00 0.00 H new ATOM 792 N PHE A 53 -2.402 -3.447 -2.073 1.00 0.00 N ATOM 793 CA PHE A 53 -1.267 -2.822 -2.826 1.00 0.00 C ATOM 794 C PHE A 53 0.029 -3.558 -2.482 1.00 0.00 C ATOM 795 O PHE A 53 0.339 -3.763 -1.323 1.00 0.00 O ATOM 796 CB PHE A 53 -1.200 -1.373 -2.339 1.00 0.00 C ATOM 797 CG PHE A 53 -2.465 -0.649 -2.728 1.00 0.00 C ATOM 798 CD1 PHE A 53 -2.592 -0.104 -4.010 1.00 0.00 C ATOM 799 CD2 PHE A 53 -3.507 -0.520 -1.805 1.00 0.00 C ATOM 800 CE1 PHE A 53 -3.764 0.573 -4.370 1.00 0.00 C ATOM 801 CE2 PHE A 53 -4.681 0.156 -2.163 1.00 0.00 C ATOM 802 CZ PHE A 53 -4.809 0.702 -3.446 1.00 0.00 C ATOM 0 H PHE A 53 -2.886 -2.825 -1.426 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.405 -2.872 -3.906 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.073 -1.348 -1.257 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -0.334 -0.873 -2.773 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -1.786 -0.205 -4.722 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -3.407 -0.942 -0.816 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -3.862 0.995 -5.359 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -5.486 0.256 -1.450 1.00 0.00 H new ATOM 0 HZ PHE A 53 -5.714 1.223 -3.723 1.00 0.00 H new ATOM 812 N THR A 54 0.771 -3.985 -3.472 1.00 0.00 N ATOM 813 CA THR A 54 2.030 -4.742 -3.176 1.00 0.00 C ATOM 814 C THR A 54 3.281 -4.055 -3.754 1.00 0.00 C ATOM 815 O THR A 54 3.583 -4.190 -4.925 1.00 0.00 O ATOM 816 CB THR A 54 1.808 -6.108 -3.835 1.00 0.00 C ATOM 817 OG1 THR A 54 0.644 -6.709 -3.284 1.00 0.00 O ATOM 818 CG2 THR A 54 3.014 -7.021 -3.590 1.00 0.00 C ATOM 0 H THR A 54 0.565 -3.846 -4.461 1.00 0.00 H new ATOM 0 HA THR A 54 2.214 -4.806 -2.104 1.00 0.00 H new ATOM 0 HB THR A 54 1.684 -5.968 -4.909 1.00 0.00 H new ATOM 0 HG1 THR A 54 0.497 -7.582 -3.704 1.00 0.00 H new ATOM 0 HG21 THR A 54 2.841 -7.987 -4.064 1.00 0.00 H new ATOM 0 HG22 THR A 54 3.908 -6.564 -4.013 1.00 0.00 H new ATOM 0 HG23 THR A 54 3.152 -7.162 -2.518 1.00 0.00 H new ATOM 826 N VAL A 55 4.036 -3.357 -2.927 1.00 0.00 N ATOM 827 CA VAL A 55 5.288 -2.713 -3.413 1.00 0.00 C ATOM 828 C VAL A 55 6.497 -3.531 -2.938 1.00 0.00 C ATOM 829 O VAL A 55 6.380 -4.390 -2.082 1.00 0.00 O ATOM 830 CB VAL A 55 5.327 -1.283 -2.833 1.00 0.00 C ATOM 831 CG1 VAL A 55 5.519 -1.314 -1.317 1.00 0.00 C ATOM 832 CG2 VAL A 55 6.494 -0.519 -3.463 1.00 0.00 C ATOM 0 H VAL A 55 3.831 -3.211 -1.938 1.00 0.00 H new ATOM 0 HA VAL A 55 5.318 -2.671 -4.502 1.00 0.00 H new ATOM 0 HB VAL A 55 4.380 -0.792 -3.057 1.00 0.00 H new ATOM 0 HG11 VAL A 55 5.543 -0.294 -0.932 1.00 0.00 H new ATOM 0 HG12 VAL A 55 4.693 -1.856 -0.857 1.00 0.00 H new ATOM 0 HG13 VAL A 55 6.458 -1.814 -1.079 1.00 0.00 H new ATOM 0 HG21 VAL A 55 6.528 0.492 -3.058 1.00 0.00 H new ATOM 0 HG22 VAL A 55 7.429 -1.032 -3.237 1.00 0.00 H new ATOM 0 HG23 VAL A 55 6.358 -0.473 -4.543 1.00 0.00 H new ATOM 842 N THR A 56 7.649 -3.265 -3.486 1.00 0.00 N ATOM 843 CA THR A 56 8.872 -4.016 -3.087 1.00 0.00 C ATOM 844 C THR A 56 10.122 -3.226 -3.490 1.00 0.00 C ATOM 845 O THR A 56 10.429 -3.096 -4.661 1.00 0.00 O ATOM 846 CB THR A 56 8.781 -5.321 -3.880 1.00 0.00 C ATOM 847 OG1 THR A 56 7.611 -6.027 -3.490 1.00 0.00 O ATOM 848 CG2 THR A 56 10.014 -6.195 -3.619 1.00 0.00 C ATOM 0 H THR A 56 7.797 -2.552 -4.200 1.00 0.00 H new ATOM 0 HA THR A 56 8.938 -4.187 -2.012 1.00 0.00 H new ATOM 0 HB THR A 56 8.737 -5.085 -4.943 1.00 0.00 H new ATOM 0 HG1 THR A 56 7.296 -5.687 -2.627 1.00 0.00 H new ATOM 0 HG21 THR A 56 9.933 -7.119 -4.191 1.00 0.00 H new ATOM 0 HG22 THR A 56 10.912 -5.658 -3.924 1.00 0.00 H new ATOM 0 HG23 THR A 56 10.075 -6.430 -2.556 1.00 0.00 H new ATOM 856 N GLU A 57 10.838 -2.698 -2.530 1.00 0.00 N ATOM 857 CA GLU A 57 12.068 -1.914 -2.851 1.00 0.00 C ATOM 858 C GLU A 57 13.318 -2.722 -2.493 1.00 0.00 C ATOM 859 O GLU A 57 13.941 -3.246 -3.403 1.00 0.00 O ATOM 860 CB GLU A 57 11.976 -0.658 -1.984 1.00 0.00 C ATOM 861 CG GLU A 57 12.538 0.537 -2.756 1.00 0.00 C ATOM 862 CD GLU A 57 14.052 0.378 -2.914 1.00 0.00 C ATOM 863 OE1 GLU A 57 14.460 -0.439 -3.723 1.00 0.00 O ATOM 864 OE2 GLU A 57 14.776 1.076 -2.224 1.00 0.00 O ATOM 865 OXT GLU A 57 13.631 -2.803 -1.317 1.00 0.00 O ATOM 0 H GLU A 57 10.623 -2.776 -1.536 1.00 0.00 H new ATOM 0 HA GLU A 57 12.138 -1.673 -3.912 1.00 0.00 H new ATOM 0 HB2 GLU A 57 10.939 -0.470 -1.706 1.00 0.00 H new ATOM 0 HB3 GLU A 57 12.533 -0.801 -1.058 1.00 0.00 H new ATOM 0 HG2 GLU A 57 12.065 0.605 -3.736 1.00 0.00 H new ATOM 0 HG3 GLU A 57 12.312 1.463 -2.228 1.00 0.00 H new TER 872 GLU A 57