USER MOD reduce.3.24.130724 H: found=0, std=0, add=428, rem=0, adj=16 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 -18:sc= 0.279! USER MOD Set 2.1: A 17 THR OG1 : rot 167:sc= 0.0267 USER MOD Set 2.2: A 34 TYR OH : rot 30:sc= -0.178 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -115:sc= 1.37 (180deg=-0.546) USER MOD Single : A 2 THR OG1 : rot 121:sc= 0.791 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 X(o=0,f=-0.042) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 170:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot -150:sc= 0 USER MOD Single : A 26 THR OG1 : rot -150:sc= -0.664 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 137:sc= 0 (180deg=-0.0916) USER MOD Single : A 33 GLN : amide:sc= -0.497 X(o=-0.5,f=-0.19) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 ASN : amide:sc= -1.54 K(o=-1.5,f=-2.4!) USER MOD Single : A 45 THR OG1 : rot 180:sc= -1.3 USER MOD Single : A 46 TYR OH : rot 51:sc= -4.01 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 130:sc= 0.152 USER MOD Single : A 56 THR OG1 : rot -16:sc= 0.028 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -16.726 1.866 3.484 1.00 0.00 N ATOM 2 CA MET A 1 -15.441 2.174 2.791 1.00 0.00 C ATOM 3 C MET A 1 -14.621 0.894 2.602 1.00 0.00 C ATOM 4 O MET A 1 -14.761 -0.056 3.349 1.00 0.00 O ATOM 5 CB MET A 1 -14.705 3.158 3.710 1.00 0.00 C ATOM 6 CG MET A 1 -14.506 2.539 5.100 1.00 0.00 C ATOM 7 SD MET A 1 -15.869 3.029 6.188 1.00 0.00 S ATOM 8 CE MET A 1 -15.504 1.882 7.540 1.00 0.00 C ATOM 0 H1 MET A 1 -17.521 2.060 2.843 1.00 0.00 H new ATOM 0 H2 MET A 1 -16.740 0.863 3.760 1.00 0.00 H new ATOM 0 H3 MET A 1 -16.813 2.460 4.333 1.00 0.00 H new ATOM 0 HA MET A 1 -15.603 2.597 1.799 1.00 0.00 H new ATOM 0 HB2 MET A 1 -13.738 3.417 3.278 1.00 0.00 H new ATOM 0 HB3 MET A 1 -15.275 4.083 3.794 1.00 0.00 H new ATOM 0 HG2 MET A 1 -14.463 1.453 5.022 1.00 0.00 H new ATOM 0 HG3 MET A 1 -13.556 2.866 5.522 1.00 0.00 H new ATOM 0 HE1 MET A 1 -16.236 2.014 8.337 1.00 0.00 H new ATOM 0 HE2 MET A 1 -15.550 0.858 7.171 1.00 0.00 H new ATOM 0 HE3 MET A 1 -14.505 2.083 7.928 1.00 0.00 H new ATOM 20 N THR A 2 -13.770 0.866 1.609 1.00 0.00 N ATOM 21 CA THR A 2 -12.938 -0.349 1.364 1.00 0.00 C ATOM 22 C THR A 2 -11.607 -0.240 2.113 1.00 0.00 C ATOM 23 O THR A 2 -10.763 0.572 1.781 1.00 0.00 O ATOM 24 CB THR A 2 -12.702 -0.373 -0.145 1.00 0.00 C ATOM 25 OG1 THR A 2 -13.953 -0.371 -0.819 1.00 0.00 O ATOM 26 CG2 THR A 2 -11.921 -1.634 -0.517 1.00 0.00 C ATOM 0 H THR A 2 -13.615 1.634 0.956 1.00 0.00 H new ATOM 0 HA THR A 2 -13.426 -1.259 1.714 1.00 0.00 H new ATOM 0 HB THR A 2 -12.131 0.507 -0.440 1.00 0.00 H new ATOM 0 HG1 THR A 2 -14.010 0.416 -1.400 1.00 0.00 H new ATOM 0 HG21 THR A 2 -11.752 -1.653 -1.594 1.00 0.00 H new ATOM 0 HG22 THR A 2 -10.962 -1.634 0.001 1.00 0.00 H new ATOM 0 HG23 THR A 2 -12.492 -2.515 -0.224 1.00 0.00 H new ATOM 34 N THR A 3 -11.418 -1.052 3.120 1.00 0.00 N ATOM 35 CA THR A 3 -10.152 -1.008 3.900 1.00 0.00 C ATOM 36 C THR A 3 -9.045 -1.777 3.173 1.00 0.00 C ATOM 37 O THR A 3 -8.998 -2.992 3.210 1.00 0.00 O ATOM 38 CB THR A 3 -10.479 -1.678 5.236 1.00 0.00 C ATOM 39 OG1 THR A 3 -11.727 -1.195 5.713 1.00 0.00 O ATOM 40 CG2 THR A 3 -9.382 -1.356 6.252 1.00 0.00 C ATOM 0 H THR A 3 -12.093 -1.748 3.436 1.00 0.00 H new ATOM 0 HA THR A 3 -9.792 0.012 4.032 1.00 0.00 H new ATOM 0 HB THR A 3 -10.536 -2.758 5.098 1.00 0.00 H new ATOM 0 HG1 THR A 3 -11.939 -1.625 6.568 1.00 0.00 H new ATOM 0 HG21 THR A 3 -9.616 -1.834 7.203 1.00 0.00 H new ATOM 0 HG22 THR A 3 -8.425 -1.728 5.885 1.00 0.00 H new ATOM 0 HG23 THR A 3 -9.322 -0.277 6.393 1.00 0.00 H new ATOM 48 N PHE A 4 -8.153 -1.077 2.520 1.00 0.00 N ATOM 49 CA PHE A 4 -7.040 -1.760 1.794 1.00 0.00 C ATOM 50 C PHE A 4 -5.854 -1.970 2.741 1.00 0.00 C ATOM 51 O PHE A 4 -5.803 -1.399 3.815 1.00 0.00 O ATOM 52 CB PHE A 4 -6.657 -0.803 0.665 1.00 0.00 C ATOM 53 CG PHE A 4 -7.736 -0.793 -0.390 1.00 0.00 C ATOM 54 CD1 PHE A 4 -7.800 -1.820 -1.339 1.00 0.00 C ATOM 55 CD2 PHE A 4 -8.669 0.250 -0.423 1.00 0.00 C ATOM 56 CE1 PHE A 4 -8.797 -1.803 -2.322 1.00 0.00 C ATOM 57 CE2 PHE A 4 -9.666 0.266 -1.404 1.00 0.00 C ATOM 58 CZ PHE A 4 -9.730 -0.760 -2.354 1.00 0.00 C ATOM 0 H PHE A 4 -8.148 -0.059 2.458 1.00 0.00 H new ATOM 0 HA PHE A 4 -7.330 -2.740 1.415 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -6.515 0.202 1.062 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -5.708 -1.109 0.224 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -7.081 -2.625 -1.313 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -8.619 1.042 0.309 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -8.846 -2.594 -3.055 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -10.387 1.070 -1.428 1.00 0.00 H new ATOM 0 HZ PHE A 4 -10.499 -0.747 -3.112 1.00 0.00 H new ATOM 68 N LYS A 5 -4.900 -2.780 2.352 1.00 0.00 N ATOM 69 CA LYS A 5 -3.714 -3.023 3.231 1.00 0.00 C ATOM 70 C LYS A 5 -2.419 -2.937 2.417 1.00 0.00 C ATOM 71 O LYS A 5 -2.205 -3.701 1.495 1.00 0.00 O ATOM 72 CB LYS A 5 -3.905 -4.437 3.781 1.00 0.00 C ATOM 73 CG LYS A 5 -4.603 -4.370 5.140 1.00 0.00 C ATOM 74 CD LYS A 5 -5.039 -5.775 5.559 1.00 0.00 C ATOM 75 CE LYS A 5 -5.884 -5.690 6.832 1.00 0.00 C ATOM 76 NZ LYS A 5 -6.500 -7.039 6.975 1.00 0.00 N ATOM 0 H LYS A 5 -4.891 -3.283 1.465 1.00 0.00 H new ATOM 0 HA LYS A 5 -3.638 -2.282 4.027 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -4.498 -5.031 3.086 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -2.939 -4.932 3.881 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -3.929 -3.949 5.886 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -5.469 -3.710 5.084 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -5.613 -6.242 4.759 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -4.164 -6.402 5.732 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -5.270 -5.442 7.698 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -6.646 -4.915 6.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -7.096 -7.060 7.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -7.084 -7.244 6.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -5.751 -7.756 7.058 1.00 0.00 H new ATOM 90 N LEU A 6 -1.556 -2.011 2.753 1.00 0.00 N ATOM 91 CA LEU A 6 -0.271 -1.864 2.005 1.00 0.00 C ATOM 92 C LEU A 6 0.871 -2.542 2.768 1.00 0.00 C ATOM 93 O LEU A 6 1.262 -2.090 3.829 1.00 0.00 O ATOM 94 CB LEU A 6 -0.023 -0.347 1.944 1.00 0.00 C ATOM 95 CG LEU A 6 0.765 0.098 0.677 1.00 0.00 C ATOM 96 CD1 LEU A 6 1.735 1.218 1.065 1.00 0.00 C ATOM 97 CD2 LEU A 6 1.579 -1.048 0.044 1.00 0.00 C ATOM 0 H LEU A 6 -1.687 -1.348 3.517 1.00 0.00 H new ATOM 0 HA LEU A 6 -0.319 -2.322 1.017 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -0.981 0.172 1.968 1.00 0.00 H new ATOM 0 HB3 LEU A 6 0.528 -0.040 2.833 1.00 0.00 H new ATOM 0 HG LEU A 6 0.032 0.431 -0.058 1.00 0.00 H new ATOM 0 HD11 LEU A 6 2.293 1.538 0.185 1.00 0.00 H new ATOM 0 HD12 LEU A 6 1.174 2.062 1.466 1.00 0.00 H new ATOM 0 HD13 LEU A 6 2.429 0.852 1.821 1.00 0.00 H new ATOM 0 HD21 LEU A 6 2.107 -0.677 -0.835 1.00 0.00 H new ATOM 0 HD22 LEU A 6 2.301 -1.425 0.768 1.00 0.00 H new ATOM 0 HD23 LEU A 6 0.906 -1.853 -0.250 1.00 0.00 H new ATOM 109 N ILE A 7 1.422 -3.606 2.234 1.00 0.00 N ATOM 110 CA ILE A 7 2.553 -4.285 2.936 1.00 0.00 C ATOM 111 C ILE A 7 3.764 -3.337 2.955 1.00 0.00 C ATOM 112 O ILE A 7 3.776 -2.337 2.259 1.00 0.00 O ATOM 113 CB ILE A 7 2.812 -5.588 2.133 1.00 0.00 C ATOM 114 CG1 ILE A 7 3.349 -6.661 3.081 1.00 0.00 C ATOM 115 CG2 ILE A 7 3.822 -5.374 0.992 1.00 0.00 C ATOM 116 CD1 ILE A 7 2.216 -7.159 3.981 1.00 0.00 C ATOM 0 H ILE A 7 1.139 -4.029 1.350 1.00 0.00 H new ATOM 0 HA ILE A 7 2.342 -4.532 3.977 1.00 0.00 H new ATOM 0 HB ILE A 7 1.867 -5.899 1.688 1.00 0.00 H new ATOM 0 HG12 ILE A 7 3.766 -7.491 2.510 1.00 0.00 H new ATOM 0 HG13 ILE A 7 4.158 -6.254 3.688 1.00 0.00 H new ATOM 0 HG21 ILE A 7 3.972 -6.312 0.458 1.00 0.00 H new ATOM 0 HG22 ILE A 7 3.438 -4.622 0.303 1.00 0.00 H new ATOM 0 HG23 ILE A 7 4.772 -5.036 1.406 1.00 0.00 H new ATOM 0 HD11 ILE A 7 2.598 -7.924 4.657 1.00 0.00 H new ATOM 0 HD12 ILE A 7 1.820 -6.326 4.562 1.00 0.00 H new ATOM 0 HD13 ILE A 7 1.422 -7.582 3.366 1.00 0.00 H new ATOM 128 N ILE A 8 4.770 -3.634 3.736 1.00 0.00 N ATOM 129 CA ILE A 8 5.962 -2.733 3.782 1.00 0.00 C ATOM 130 C ILE A 8 7.249 -3.537 3.576 1.00 0.00 C ATOM 131 O ILE A 8 8.018 -3.737 4.496 1.00 0.00 O ATOM 132 CB ILE A 8 5.937 -2.096 5.176 1.00 0.00 C ATOM 133 CG1 ILE A 8 4.607 -1.368 5.394 1.00 0.00 C ATOM 134 CG2 ILE A 8 7.084 -1.091 5.301 1.00 0.00 C ATOM 135 CD1 ILE A 8 4.496 -0.931 6.856 1.00 0.00 C ATOM 0 H ILE A 8 4.819 -4.455 4.340 1.00 0.00 H new ATOM 0 HA ILE A 8 5.934 -1.980 2.995 1.00 0.00 H new ATOM 0 HB ILE A 8 6.049 -2.879 5.925 1.00 0.00 H new ATOM 0 HG12 ILE A 8 4.544 -0.499 4.738 1.00 0.00 H new ATOM 0 HG13 ILE A 8 3.775 -2.023 5.135 1.00 0.00 H new ATOM 0 HG21 ILE A 8 7.065 -0.639 6.293 1.00 0.00 H new ATOM 0 HG22 ILE A 8 8.035 -1.604 5.154 1.00 0.00 H new ATOM 0 HG23 ILE A 8 6.971 -0.314 4.545 1.00 0.00 H new ATOM 0 HD11 ILE A 8 3.549 -0.413 7.010 1.00 0.00 H new ATOM 0 HD12 ILE A 8 4.539 -1.808 7.502 1.00 0.00 H new ATOM 0 HD13 ILE A 8 5.320 -0.260 7.099 1.00 0.00 H new ATOM 147 N ASN A 9 7.499 -3.987 2.370 1.00 0.00 N ATOM 148 CA ASN A 9 8.751 -4.758 2.109 1.00 0.00 C ATOM 149 C ASN A 9 9.818 -3.806 1.566 1.00 0.00 C ATOM 150 O ASN A 9 10.468 -4.075 0.574 1.00 0.00 O ATOM 151 CB ASN A 9 8.370 -5.816 1.067 1.00 0.00 C ATOM 152 CG ASN A 9 8.335 -7.200 1.721 1.00 0.00 C ATOM 153 OD1 ASN A 9 9.344 -7.690 2.189 1.00 0.00 O ATOM 154 ND2 ASN A 9 7.207 -7.855 1.772 1.00 0.00 N ATOM 0 H ASN A 9 6.893 -3.854 1.560 1.00 0.00 H new ATOM 0 HA ASN A 9 9.157 -5.226 3.006 1.00 0.00 H new ATOM 0 HB2 ASN A 9 7.396 -5.582 0.637 1.00 0.00 H new ATOM 0 HB3 ASN A 9 9.090 -5.809 0.248 1.00 0.00 H new ATOM 0 HD21 ASN A 9 7.172 -8.778 2.205 1.00 0.00 H new ATOM 0 HD22 ASN A 9 6.360 -7.444 1.379 1.00 0.00 H new ATOM 161 N GLY A 10 9.985 -2.684 2.217 1.00 0.00 N ATOM 162 CA GLY A 10 10.989 -1.681 1.763 1.00 0.00 C ATOM 163 C GLY A 10 12.232 -1.751 2.644 1.00 0.00 C ATOM 164 O GLY A 10 12.220 -2.342 3.707 1.00 0.00 O ATOM 0 H GLY A 10 9.462 -2.419 3.052 1.00 0.00 H new ATOM 0 HA2 GLY A 10 11.259 -1.869 0.724 1.00 0.00 H new ATOM 0 HA3 GLY A 10 10.560 -0.680 1.805 1.00 0.00 H new ATOM 168 N LYS A 11 13.301 -1.133 2.212 1.00 0.00 N ATOM 169 CA LYS A 11 14.551 -1.136 3.024 1.00 0.00 C ATOM 170 C LYS A 11 14.527 0.011 4.048 1.00 0.00 C ATOM 171 O LYS A 11 15.508 0.258 4.725 1.00 0.00 O ATOM 172 CB LYS A 11 15.681 -0.930 2.014 1.00 0.00 C ATOM 173 CG LYS A 11 17.027 -1.205 2.689 1.00 0.00 C ATOM 174 CD LYS A 11 17.988 -1.834 1.678 1.00 0.00 C ATOM 175 CE LYS A 11 19.299 -2.201 2.377 1.00 0.00 C ATOM 176 NZ LYS A 11 19.792 -3.410 1.660 1.00 0.00 N ATOM 0 H LYS A 11 13.361 -0.625 1.329 1.00 0.00 H new ATOM 0 HA LYS A 11 14.672 -2.060 3.589 1.00 0.00 H new ATOM 0 HB2 LYS A 11 15.547 -1.596 1.162 1.00 0.00 H new ATOM 0 HB3 LYS A 11 15.657 0.089 1.629 1.00 0.00 H new ATOM 0 HG2 LYS A 11 17.447 -0.277 3.077 1.00 0.00 H new ATOM 0 HG3 LYS A 11 16.889 -1.873 3.539 1.00 0.00 H new ATOM 0 HD2 LYS A 11 17.538 -2.723 1.237 1.00 0.00 H new ATOM 0 HD3 LYS A 11 18.181 -1.137 0.862 1.00 0.00 H new ATOM 0 HE2 LYS A 11 20.020 -1.385 2.318 1.00 0.00 H new ATOM 0 HE3 LYS A 11 19.138 -2.408 3.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 20.689 -3.722 2.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 19.088 -4.172 1.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 19.943 -3.181 0.657 1.00 0.00 H new ATOM 190 N THR A 12 13.419 0.712 4.170 1.00 0.00 N ATOM 191 CA THR A 12 13.345 1.833 5.151 1.00 0.00 C ATOM 192 C THR A 12 12.342 1.498 6.256 1.00 0.00 C ATOM 193 O THR A 12 12.491 1.925 7.386 1.00 0.00 O ATOM 194 CB THR A 12 12.869 3.042 4.342 1.00 0.00 C ATOM 195 OG1 THR A 12 13.588 3.102 3.118 1.00 0.00 O ATOM 196 CG2 THR A 12 13.111 4.324 5.141 1.00 0.00 C ATOM 0 H THR A 12 12.568 0.552 3.631 1.00 0.00 H new ATOM 0 HA THR A 12 14.303 2.022 5.635 1.00 0.00 H new ATOM 0 HB THR A 12 11.803 2.943 4.135 1.00 0.00 H new ATOM 0 HG1 THR A 12 13.179 3.772 2.531 1.00 0.00 H new ATOM 0 HG21 THR A 12 12.771 5.183 4.562 1.00 0.00 H new ATOM 0 HG22 THR A 12 12.559 4.277 6.080 1.00 0.00 H new ATOM 0 HG23 THR A 12 14.176 4.426 5.351 1.00 0.00 H new ATOM 204 N LEU A 13 11.320 0.737 5.941 1.00 0.00 N ATOM 205 CA LEU A 13 10.310 0.377 6.984 1.00 0.00 C ATOM 206 C LEU A 13 9.836 -1.067 6.796 1.00 0.00 C ATOM 207 O LEU A 13 10.123 -1.699 5.797 1.00 0.00 O ATOM 208 CB LEU A 13 9.152 1.360 6.772 1.00 0.00 C ATOM 209 CG LEU A 13 8.694 1.915 8.123 1.00 0.00 C ATOM 210 CD1 LEU A 13 9.575 3.104 8.510 1.00 0.00 C ATOM 211 CD2 LEU A 13 7.238 2.375 8.018 1.00 0.00 C ATOM 0 H LEU A 13 11.143 0.353 5.013 1.00 0.00 H new ATOM 0 HA LEU A 13 10.720 0.442 7.992 1.00 0.00 H new ATOM 0 HB2 LEU A 13 9.468 2.175 6.121 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.323 0.858 6.274 1.00 0.00 H new ATOM 0 HG LEU A 13 8.777 1.137 8.882 1.00 0.00 H new ATOM 0 HD11 LEU A 13 9.250 3.500 9.472 1.00 0.00 H new ATOM 0 HD12 LEU A 13 10.613 2.779 8.584 1.00 0.00 H new ATOM 0 HD13 LEU A 13 9.491 3.881 7.751 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.911 2.770 8.980 1.00 0.00 H new ATOM 0 HD22 LEU A 13 7.156 3.153 7.259 1.00 0.00 H new ATOM 0 HD23 LEU A 13 6.608 1.530 7.740 1.00 0.00 H new ATOM 223 N LYS A 14 9.110 -1.589 7.754 1.00 0.00 N ATOM 224 CA LYS A 14 8.608 -2.992 7.643 1.00 0.00 C ATOM 225 C LYS A 14 7.320 -3.160 8.454 1.00 0.00 C ATOM 226 O LYS A 14 7.166 -2.583 9.515 1.00 0.00 O ATOM 227 CB LYS A 14 9.724 -3.864 8.221 1.00 0.00 C ATOM 228 CG LYS A 14 9.610 -5.282 7.654 1.00 0.00 C ATOM 229 CD LYS A 14 10.272 -6.273 8.615 1.00 0.00 C ATOM 230 CE LYS A 14 10.164 -7.689 8.045 1.00 0.00 C ATOM 231 NZ LYS A 14 11.377 -8.397 8.540 1.00 0.00 N ATOM 0 H LYS A 14 8.843 -1.102 8.610 1.00 0.00 H new ATOM 0 HA LYS A 14 8.373 -3.264 6.614 1.00 0.00 H new ATOM 0 HB2 LYS A 14 10.697 -3.439 7.974 1.00 0.00 H new ATOM 0 HB3 LYS A 14 9.654 -3.889 9.308 1.00 0.00 H new ATOM 0 HG2 LYS A 14 8.562 -5.544 7.510 1.00 0.00 H new ATOM 0 HG3 LYS A 14 10.088 -5.333 6.676 1.00 0.00 H new ATOM 0 HD2 LYS A 14 11.319 -6.008 8.763 1.00 0.00 H new ATOM 0 HD3 LYS A 14 9.790 -6.225 9.592 1.00 0.00 H new ATOM 0 HE2 LYS A 14 9.253 -8.182 8.384 1.00 0.00 H new ATOM 0 HE3 LYS A 14 10.132 -7.675 6.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 11.374 -9.376 8.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 12.228 -7.909 8.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 11.376 -8.401 9.580 1.00 0.00 H new ATOM 245 N GLY A 15 6.397 -3.945 7.959 1.00 0.00 N ATOM 246 CA GLY A 15 5.115 -4.158 8.691 1.00 0.00 C ATOM 247 C GLY A 15 3.942 -4.003 7.722 1.00 0.00 C ATOM 248 O GLY A 15 4.005 -4.433 6.586 1.00 0.00 O ATOM 0 H GLY A 15 6.478 -4.449 7.076 1.00 0.00 H new ATOM 0 HA2 GLY A 15 5.101 -5.151 9.140 1.00 0.00 H new ATOM 0 HA3 GLY A 15 5.025 -3.439 9.505 1.00 0.00 H new ATOM 252 N GLU A 16 2.874 -3.392 8.166 1.00 0.00 N ATOM 253 CA GLU A 16 1.688 -3.206 7.278 1.00 0.00 C ATOM 254 C GLU A 16 0.884 -1.979 7.719 1.00 0.00 C ATOM 255 O GLU A 16 0.945 -1.566 8.862 1.00 0.00 O ATOM 256 CB GLU A 16 0.861 -4.480 7.454 1.00 0.00 C ATOM 257 CG GLU A 16 0.131 -4.800 6.149 1.00 0.00 C ATOM 258 CD GLU A 16 -1.149 -3.967 6.063 1.00 0.00 C ATOM 259 OE1 GLU A 16 -1.794 -3.801 7.085 1.00 0.00 O ATOM 260 OE2 GLU A 16 -1.463 -3.510 4.976 1.00 0.00 O ATOM 0 H GLU A 16 2.772 -3.013 9.108 1.00 0.00 H new ATOM 0 HA GLU A 16 1.971 -3.043 6.238 1.00 0.00 H new ATOM 0 HB2 GLU A 16 1.509 -5.311 7.734 1.00 0.00 H new ATOM 0 HB3 GLU A 16 0.142 -4.350 8.263 1.00 0.00 H new ATOM 0 HG2 GLU A 16 0.776 -4.584 5.297 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -0.110 -5.862 6.106 1.00 0.00 H new ATOM 267 N THR A 17 0.134 -1.396 6.818 1.00 0.00 N ATOM 268 CA THR A 17 -0.677 -0.193 7.176 1.00 0.00 C ATOM 269 C THR A 17 -2.094 -0.321 6.611 1.00 0.00 C ATOM 270 O THR A 17 -2.378 -1.198 5.816 1.00 0.00 O ATOM 271 CB THR A 17 0.055 0.983 6.528 1.00 0.00 C ATOM 272 OG1 THR A 17 1.447 0.873 6.787 1.00 0.00 O ATOM 273 CG2 THR A 17 -0.472 2.297 7.108 1.00 0.00 C ATOM 0 H THR A 17 0.048 -1.702 5.849 1.00 0.00 H new ATOM 0 HA THR A 17 -0.777 -0.068 8.254 1.00 0.00 H new ATOM 0 HB THR A 17 -0.117 0.969 5.452 1.00 0.00 H new ATOM 0 HG1 THR A 17 1.937 1.495 6.210 1.00 0.00 H new ATOM 0 HG21 THR A 17 0.050 3.134 6.645 1.00 0.00 H new ATOM 0 HG22 THR A 17 -1.540 2.381 6.908 1.00 0.00 H new ATOM 0 HG23 THR A 17 -0.302 2.314 8.185 1.00 0.00 H new ATOM 281 N THR A 18 -2.982 0.551 7.017 1.00 0.00 N ATOM 282 CA THR A 18 -4.386 0.493 6.510 1.00 0.00 C ATOM 283 C THR A 18 -5.009 1.892 6.522 1.00 0.00 C ATOM 284 O THR A 18 -4.666 2.724 7.340 1.00 0.00 O ATOM 285 CB THR A 18 -5.123 -0.430 7.482 1.00 0.00 C ATOM 286 OG1 THR A 18 -4.950 0.049 8.809 1.00 0.00 O ATOM 287 CG2 THR A 18 -4.560 -1.847 7.371 1.00 0.00 C ATOM 0 H THR A 18 -2.794 1.303 7.680 1.00 0.00 H new ATOM 0 HA THR A 18 -4.440 0.129 5.484 1.00 0.00 H new ATOM 0 HB THR A 18 -6.185 -0.445 7.236 1.00 0.00 H new ATOM 0 HG1 THR A 18 -5.423 -0.540 9.434 1.00 0.00 H new ATOM 0 HG21 THR A 18 -5.086 -2.503 8.064 1.00 0.00 H new ATOM 0 HG22 THR A 18 -4.694 -2.213 6.353 1.00 0.00 H new ATOM 0 HG23 THR A 18 -3.498 -1.837 7.617 1.00 0.00 H new ATOM 295 N THR A 19 -5.922 2.152 5.621 1.00 0.00 N ATOM 296 CA THR A 19 -6.576 3.496 5.574 1.00 0.00 C ATOM 297 C THR A 19 -7.944 3.396 4.892 1.00 0.00 C ATOM 298 O THR A 19 -8.122 2.651 3.947 1.00 0.00 O ATOM 299 CB THR A 19 -5.625 4.382 4.759 1.00 0.00 C ATOM 300 OG1 THR A 19 -6.186 5.682 4.637 1.00 0.00 O ATOM 301 CG2 THR A 19 -5.412 3.788 3.362 1.00 0.00 C ATOM 0 H THR A 19 -6.244 1.491 4.914 1.00 0.00 H new ATOM 0 HA THR A 19 -6.749 3.903 6.570 1.00 0.00 H new ATOM 0 HB THR A 19 -4.664 4.437 5.270 1.00 0.00 H new ATOM 0 HG1 THR A 19 -5.892 6.087 3.795 1.00 0.00 H new ATOM 0 HG21 THR A 19 -4.735 4.427 2.794 1.00 0.00 H new ATOM 0 HG22 THR A 19 -4.980 2.791 3.452 1.00 0.00 H new ATOM 0 HG23 THR A 19 -6.369 3.723 2.844 1.00 0.00 H new ATOM 309 N GLU A 20 -8.909 4.143 5.368 1.00 0.00 N ATOM 310 CA GLU A 20 -10.272 4.097 4.752 1.00 0.00 C ATOM 311 C GLU A 20 -10.232 4.673 3.333 1.00 0.00 C ATOM 312 O GLU A 20 -9.810 5.794 3.121 1.00 0.00 O ATOM 313 CB GLU A 20 -11.160 4.956 5.663 1.00 0.00 C ATOM 314 CG GLU A 20 -10.606 6.386 5.744 1.00 0.00 C ATOM 315 CD GLU A 20 -10.676 6.888 7.188 1.00 0.00 C ATOM 316 OE1 GLU A 20 -11.702 6.685 7.817 1.00 0.00 O ATOM 317 OE2 GLU A 20 -9.702 7.467 7.642 1.00 0.00 O ATOM 0 H GLU A 20 -8.812 4.783 6.156 1.00 0.00 H new ATOM 0 HA GLU A 20 -10.650 3.078 4.669 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -12.180 4.974 5.278 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -11.203 4.517 6.660 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -9.575 6.407 5.392 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -11.179 7.045 5.092 1.00 0.00 H new ATOM 324 N ALA A 21 -10.669 3.911 2.362 1.00 0.00 N ATOM 325 CA ALA A 21 -10.661 4.405 0.953 1.00 0.00 C ATOM 326 C ALA A 21 -11.848 3.823 0.182 1.00 0.00 C ATOM 327 O ALA A 21 -12.199 2.670 0.346 1.00 0.00 O ATOM 328 CB ALA A 21 -9.342 3.901 0.365 1.00 0.00 C ATOM 0 H ALA A 21 -11.032 2.966 2.486 1.00 0.00 H new ATOM 0 HA ALA A 21 -10.746 5.490 0.895 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -9.260 4.224 -0.673 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -8.509 4.308 0.939 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -9.316 2.812 0.410 1.00 0.00 H new ATOM 334 N VAL A 22 -12.467 4.615 -0.658 1.00 0.00 N ATOM 335 CA VAL A 22 -13.638 4.114 -1.447 1.00 0.00 C ATOM 336 C VAL A 22 -13.224 2.903 -2.297 1.00 0.00 C ATOM 337 O VAL A 22 -13.992 1.979 -2.492 1.00 0.00 O ATOM 338 CB VAL A 22 -14.063 5.294 -2.333 1.00 0.00 C ATOM 339 CG1 VAL A 22 -12.912 5.699 -3.259 1.00 0.00 C ATOM 340 CG2 VAL A 22 -15.276 4.892 -3.175 1.00 0.00 C ATOM 0 H VAL A 22 -12.213 5.587 -0.832 1.00 0.00 H new ATOM 0 HA VAL A 22 -14.457 3.781 -0.809 1.00 0.00 H new ATOM 0 HB VAL A 22 -14.323 6.139 -1.696 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -13.224 6.537 -3.883 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -12.050 5.994 -2.661 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -12.641 4.855 -3.894 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -15.577 5.730 -3.803 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -15.016 4.041 -3.805 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -16.101 4.618 -2.517 1.00 0.00 H new ATOM 350 N ASP A 23 -12.013 2.904 -2.794 1.00 0.00 N ATOM 351 CA ASP A 23 -11.530 1.757 -3.624 1.00 0.00 C ATOM 352 C ASP A 23 -10.030 1.898 -3.897 1.00 0.00 C ATOM 353 O ASP A 23 -9.364 2.741 -3.327 1.00 0.00 O ATOM 354 CB ASP A 23 -12.327 1.826 -4.936 1.00 0.00 C ATOM 355 CG ASP A 23 -12.165 3.203 -5.601 1.00 0.00 C ATOM 356 OD1 ASP A 23 -11.269 3.937 -5.215 1.00 0.00 O ATOM 357 OD2 ASP A 23 -12.945 3.498 -6.492 1.00 0.00 O ATOM 0 H ASP A 23 -11.334 3.654 -2.660 1.00 0.00 H new ATOM 0 HA ASP A 23 -11.676 0.802 -3.120 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -11.985 1.046 -5.616 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -13.381 1.635 -4.737 1.00 0.00 H new ATOM 362 N ALA A 24 -9.495 1.073 -4.763 1.00 0.00 N ATOM 363 CA ALA A 24 -8.036 1.145 -5.080 1.00 0.00 C ATOM 364 C ALA A 24 -7.653 2.546 -5.572 1.00 0.00 C ATOM 365 O ALA A 24 -6.517 2.964 -5.452 1.00 0.00 O ATOM 366 CB ALA A 24 -7.812 0.114 -6.188 1.00 0.00 C ATOM 0 H ALA A 24 -10.009 0.350 -5.266 1.00 0.00 H new ATOM 0 HA ALA A 24 -7.424 0.943 -4.201 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -6.760 0.110 -6.474 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -8.094 -0.875 -5.827 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -8.422 0.372 -7.054 1.00 0.00 H new ATOM 372 N ALA A 25 -8.593 3.270 -6.128 1.00 0.00 N ATOM 373 CA ALA A 25 -8.287 4.645 -6.635 1.00 0.00 C ATOM 374 C ALA A 25 -7.779 5.534 -5.496 1.00 0.00 C ATOM 375 O ALA A 25 -6.740 6.159 -5.602 1.00 0.00 O ATOM 376 CB ALA A 25 -9.614 5.179 -7.178 1.00 0.00 C ATOM 0 H ALA A 25 -9.559 2.969 -6.253 1.00 0.00 H new ATOM 0 HA ALA A 25 -7.510 4.633 -7.399 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -9.468 6.186 -7.568 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -9.968 4.528 -7.977 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -10.352 5.204 -6.376 1.00 0.00 H new ATOM 382 N THR A 26 -8.505 5.594 -4.408 1.00 0.00 N ATOM 383 CA THR A 26 -8.072 6.440 -3.256 1.00 0.00 C ATOM 384 C THR A 26 -7.085 5.671 -2.372 1.00 0.00 C ATOM 385 O THR A 26 -6.249 6.257 -1.710 1.00 0.00 O ATOM 386 CB THR A 26 -9.357 6.745 -2.483 1.00 0.00 C ATOM 387 OG1 THR A 26 -10.311 7.324 -3.363 1.00 0.00 O ATOM 388 CG2 THR A 26 -9.051 7.721 -1.345 1.00 0.00 C ATOM 0 H THR A 26 -9.382 5.092 -4.268 1.00 0.00 H new ATOM 0 HA THR A 26 -7.565 7.348 -3.581 1.00 0.00 H new ATOM 0 HB THR A 26 -9.759 5.821 -2.067 1.00 0.00 H new ATOM 0 HG1 THR A 26 -10.894 7.931 -2.860 1.00 0.00 H new ATOM 0 HG21 THR A 26 -9.967 7.938 -0.795 1.00 0.00 H new ATOM 0 HG22 THR A 26 -8.320 7.276 -0.671 1.00 0.00 H new ATOM 0 HG23 THR A 26 -8.648 8.646 -1.757 1.00 0.00 H new ATOM 396 N ALA A 27 -7.179 4.366 -2.358 1.00 0.00 N ATOM 397 CA ALA A 27 -6.248 3.552 -1.515 1.00 0.00 C ATOM 398 C ALA A 27 -4.800 3.771 -1.962 1.00 0.00 C ATOM 399 O ALA A 27 -3.965 4.207 -1.192 1.00 0.00 O ATOM 400 CB ALA A 27 -6.665 2.097 -1.742 1.00 0.00 C ATOM 0 H ALA A 27 -7.860 3.828 -2.894 1.00 0.00 H new ATOM 0 HA ALA A 27 -6.302 3.829 -0.462 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -6.025 1.439 -1.154 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -7.702 1.964 -1.435 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -6.565 1.851 -2.799 1.00 0.00 H new ATOM 406 N GLU A 28 -4.500 3.471 -3.200 1.00 0.00 N ATOM 407 CA GLU A 28 -3.105 3.659 -3.706 1.00 0.00 C ATOM 408 C GLU A 28 -2.709 5.134 -3.632 1.00 0.00 C ATOM 409 O GLU A 28 -1.562 5.461 -3.415 1.00 0.00 O ATOM 410 CB GLU A 28 -3.132 3.186 -5.161 1.00 0.00 C ATOM 411 CG GLU A 28 -1.728 2.743 -5.578 1.00 0.00 C ATOM 412 CD GLU A 28 -1.572 2.896 -7.092 1.00 0.00 C ATOM 413 OE1 GLU A 28 -2.107 3.851 -7.630 1.00 0.00 O ATOM 414 OE2 GLU A 28 -0.919 2.055 -7.688 1.00 0.00 O ATOM 0 H GLU A 28 -5.161 3.103 -3.884 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.379 3.102 -3.113 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -3.834 2.360 -5.273 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -3.479 3.990 -5.810 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -0.978 3.343 -5.062 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -1.561 1.706 -5.288 1.00 0.00 H new ATOM 421 N LYS A 29 -3.651 6.026 -3.811 1.00 0.00 N ATOM 422 CA LYS A 29 -3.326 7.488 -3.751 1.00 0.00 C ATOM 423 C LYS A 29 -2.704 7.843 -2.396 1.00 0.00 C ATOM 424 O LYS A 29 -1.708 8.538 -2.327 1.00 0.00 O ATOM 425 CB LYS A 29 -4.666 8.205 -3.931 1.00 0.00 C ATOM 426 CG LYS A 29 -4.423 9.703 -4.125 1.00 0.00 C ATOM 427 CD LYS A 29 -5.578 10.307 -4.925 1.00 0.00 C ATOM 428 CE LYS A 29 -5.311 10.128 -6.421 1.00 0.00 C ATOM 429 NZ LYS A 29 -6.420 10.855 -7.099 1.00 0.00 N ATOM 0 H LYS A 29 -4.630 5.808 -3.996 1.00 0.00 H new ATOM 0 HA LYS A 29 -2.604 7.777 -4.515 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -5.195 7.797 -4.792 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -5.299 8.039 -3.060 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -4.339 10.197 -3.157 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -3.480 9.865 -4.648 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -6.516 9.823 -4.652 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -5.684 11.366 -4.688 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -4.341 10.538 -6.701 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -5.303 9.074 -6.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -6.306 10.778 -8.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -7.331 10.438 -6.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -6.398 11.857 -6.822 1.00 0.00 H new ATOM 443 N VAL A 30 -3.283 7.366 -1.324 1.00 0.00 N ATOM 444 CA VAL A 30 -2.725 7.668 0.029 1.00 0.00 C ATOM 445 C VAL A 30 -1.527 6.756 0.314 1.00 0.00 C ATOM 446 O VAL A 30 -0.518 7.191 0.837 1.00 0.00 O ATOM 447 CB VAL A 30 -3.872 7.383 1.006 1.00 0.00 C ATOM 448 CG1 VAL A 30 -3.400 7.612 2.446 1.00 0.00 C ATOM 449 CG2 VAL A 30 -5.042 8.322 0.704 1.00 0.00 C ATOM 0 H VAL A 30 -4.118 6.780 -1.327 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.370 8.695 0.115 1.00 0.00 H new ATOM 0 HB VAL A 30 -4.190 6.347 0.891 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -4.220 7.408 3.134 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -2.567 6.945 2.666 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -3.077 8.647 2.563 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -5.858 8.121 1.398 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -4.717 9.356 0.816 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -5.385 8.159 -0.318 1.00 0.00 H new ATOM 459 N PHE A 31 -1.637 5.496 -0.023 1.00 0.00 N ATOM 460 CA PHE A 31 -0.507 4.551 0.231 1.00 0.00 C ATOM 461 C PHE A 31 0.700 4.928 -0.630 1.00 0.00 C ATOM 462 O PHE A 31 1.834 4.776 -0.217 1.00 0.00 O ATOM 463 CB PHE A 31 -1.040 3.168 -0.151 1.00 0.00 C ATOM 464 CG PHE A 31 -1.871 2.609 0.986 1.00 0.00 C ATOM 465 CD1 PHE A 31 -1.362 2.592 2.293 1.00 0.00 C ATOM 466 CD2 PHE A 31 -3.151 2.105 0.730 1.00 0.00 C ATOM 467 CE1 PHE A 31 -2.133 2.073 3.339 1.00 0.00 C ATOM 468 CE2 PHE A 31 -3.922 1.586 1.777 1.00 0.00 C ATOM 469 CZ PHE A 31 -3.413 1.570 3.081 1.00 0.00 C ATOM 0 H PHE A 31 -2.459 5.081 -0.462 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.174 4.577 1.269 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -1.644 3.238 -1.056 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -0.211 2.496 -0.372 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -0.374 2.980 2.492 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -3.544 2.116 -0.276 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -1.740 2.061 4.345 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -4.910 1.198 1.579 1.00 0.00 H new ATOM 0 HZ PHE A 31 -4.008 1.169 3.888 1.00 0.00 H new ATOM 479 N LYS A 32 0.465 5.429 -1.818 1.00 0.00 N ATOM 480 CA LYS A 32 1.604 5.830 -2.697 1.00 0.00 C ATOM 481 C LYS A 32 2.365 6.979 -2.031 1.00 0.00 C ATOM 482 O LYS A 32 3.577 6.954 -1.927 1.00 0.00 O ATOM 483 CB LYS A 32 0.967 6.286 -4.016 1.00 0.00 C ATOM 484 CG LYS A 32 2.057 6.746 -4.988 1.00 0.00 C ATOM 485 CD LYS A 32 1.661 6.369 -6.417 1.00 0.00 C ATOM 486 CE LYS A 32 2.126 4.942 -6.716 1.00 0.00 C ATOM 487 NZ LYS A 32 3.561 5.076 -7.089 1.00 0.00 N ATOM 0 H LYS A 32 -0.463 5.577 -2.215 1.00 0.00 H new ATOM 0 HA LYS A 32 2.312 5.019 -2.867 1.00 0.00 H new ATOM 0 HB2 LYS A 32 0.396 5.468 -4.456 1.00 0.00 H new ATOM 0 HB3 LYS A 32 0.266 7.100 -3.830 1.00 0.00 H new ATOM 0 HG2 LYS A 32 2.196 7.824 -4.911 1.00 0.00 H new ATOM 0 HG3 LYS A 32 3.009 6.282 -4.729 1.00 0.00 H new ATOM 0 HD2 LYS A 32 0.580 6.443 -6.538 1.00 0.00 H new ATOM 0 HD3 LYS A 32 2.110 7.065 -7.126 1.00 0.00 H new ATOM 0 HE2 LYS A 32 2.003 4.296 -5.847 1.00 0.00 H new ATOM 0 HE3 LYS A 32 1.547 4.500 -7.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 4.110 4.320 -6.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 3.660 5.000 -8.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 3.917 6.001 -6.774 1.00 0.00 H new ATOM 501 N GLN A 33 1.653 7.974 -1.560 1.00 0.00 N ATOM 502 CA GLN A 33 2.325 9.119 -0.872 1.00 0.00 C ATOM 503 C GLN A 33 3.008 8.609 0.394 1.00 0.00 C ATOM 504 O GLN A 33 4.058 9.080 0.787 1.00 0.00 O ATOM 505 CB GLN A 33 1.204 10.107 -0.532 1.00 0.00 C ATOM 506 CG GLN A 33 1.790 11.339 0.168 1.00 0.00 C ATOM 507 CD GLN A 33 2.764 12.064 -0.769 1.00 0.00 C ATOM 508 OE1 GLN A 33 3.833 12.466 -0.355 1.00 0.00 O ATOM 509 NE2 GLN A 33 2.439 12.248 -2.020 1.00 0.00 N ATOM 0 H GLN A 33 0.637 8.042 -1.622 1.00 0.00 H new ATOM 0 HA GLN A 33 3.089 9.593 -1.488 1.00 0.00 H new ATOM 0 HB2 GLN A 33 0.684 10.408 -1.442 1.00 0.00 H new ATOM 0 HB3 GLN A 33 0.468 9.627 0.113 1.00 0.00 H new ATOM 0 HG2 GLN A 33 0.988 12.014 0.464 1.00 0.00 H new ATOM 0 HG3 GLN A 33 2.306 11.038 1.080 1.00 0.00 H new ATOM 0 HE21 GLN A 33 1.542 11.911 -2.369 1.00 0.00 H new ATOM 0 HE22 GLN A 33 3.082 12.729 -2.649 1.00 0.00 H new ATOM 518 N TYR A 34 2.418 7.626 1.011 1.00 0.00 N ATOM 519 CA TYR A 34 3.015 7.028 2.243 1.00 0.00 C ATOM 520 C TYR A 34 4.355 6.377 1.866 1.00 0.00 C ATOM 521 O TYR A 34 5.386 6.670 2.442 1.00 0.00 O ATOM 522 CB TYR A 34 1.967 5.990 2.716 1.00 0.00 C ATOM 523 CG TYR A 34 2.605 4.886 3.535 1.00 0.00 C ATOM 524 CD1 TYR A 34 2.824 5.070 4.902 1.00 0.00 C ATOM 525 CD2 TYR A 34 2.978 3.685 2.919 1.00 0.00 C ATOM 526 CE1 TYR A 34 3.416 4.051 5.659 1.00 0.00 C ATOM 527 CE2 TYR A 34 3.570 2.665 3.672 1.00 0.00 C ATOM 528 CZ TYR A 34 3.789 2.848 5.044 1.00 0.00 C ATOM 529 OH TYR A 34 4.371 1.844 5.789 1.00 0.00 O ATOM 0 H TYR A 34 1.538 7.205 0.714 1.00 0.00 H new ATOM 0 HA TYR A 34 3.227 7.746 3.035 1.00 0.00 H new ATOM 0 HB2 TYR A 34 1.202 6.489 3.311 1.00 0.00 H new ATOM 0 HB3 TYR A 34 1.466 5.558 1.850 1.00 0.00 H new ATOM 0 HD1 TYR A 34 2.537 5.997 5.375 1.00 0.00 H new ATOM 0 HD2 TYR A 34 2.809 3.546 1.861 1.00 0.00 H new ATOM 0 HE1 TYR A 34 3.585 4.192 6.716 1.00 0.00 H new ATOM 0 HE2 TYR A 34 3.858 1.739 3.197 1.00 0.00 H new ATOM 0 HH TYR A 34 4.041 1.888 6.711 1.00 0.00 H new ATOM 539 N ALA A 35 4.332 5.500 0.898 1.00 0.00 N ATOM 540 CA ALA A 35 5.588 4.820 0.464 1.00 0.00 C ATOM 541 C ALA A 35 6.585 5.852 -0.070 1.00 0.00 C ATOM 542 O ALA A 35 7.771 5.765 0.182 1.00 0.00 O ATOM 543 CB ALA A 35 5.159 3.863 -0.649 1.00 0.00 C ATOM 0 H ALA A 35 3.494 5.224 0.387 1.00 0.00 H new ATOM 0 HA ALA A 35 6.079 4.295 1.283 1.00 0.00 H new ATOM 0 HB1 ALA A 35 6.030 3.324 -1.021 1.00 0.00 H new ATOM 0 HB2 ALA A 35 4.432 3.151 -0.257 1.00 0.00 H new ATOM 0 HB3 ALA A 35 4.708 4.431 -1.463 1.00 0.00 H new ATOM 549 N ASN A 36 6.111 6.825 -0.808 1.00 0.00 N ATOM 550 CA ASN A 36 7.025 7.866 -1.366 1.00 0.00 C ATOM 551 C ASN A 36 7.766 8.590 -0.237 1.00 0.00 C ATOM 552 O ASN A 36 8.926 8.933 -0.365 1.00 0.00 O ATOM 553 CB ASN A 36 6.120 8.842 -2.123 1.00 0.00 C ATOM 554 CG ASN A 36 6.913 9.495 -3.257 1.00 0.00 C ATOM 555 OD1 ASN A 36 7.190 8.868 -4.260 1.00 0.00 O ATOM 556 ND2 ASN A 36 7.294 10.738 -3.140 1.00 0.00 N ATOM 0 H ASN A 36 5.127 6.942 -1.048 1.00 0.00 H new ATOM 0 HA ASN A 36 7.784 7.430 -2.016 1.00 0.00 H new ATOM 0 HB2 ASN A 36 5.255 8.315 -2.526 1.00 0.00 H new ATOM 0 HB3 ASN A 36 5.741 9.605 -1.443 1.00 0.00 H new ATOM 0 HD21 ASN A 36 7.824 11.182 -3.890 1.00 0.00 H new ATOM 0 HD22 ASN A 36 7.062 11.265 -2.298 1.00 0.00 H new ATOM 563 N ASP A 37 7.100 8.824 0.866 1.00 0.00 N ATOM 564 CA ASP A 37 7.759 9.529 2.010 1.00 0.00 C ATOM 565 C ASP A 37 8.911 8.684 2.561 1.00 0.00 C ATOM 566 O ASP A 37 9.960 9.199 2.902 1.00 0.00 O ATOM 567 CB ASP A 37 6.664 9.697 3.066 1.00 0.00 C ATOM 568 CG ASP A 37 7.186 10.569 4.210 1.00 0.00 C ATOM 569 OD1 ASP A 37 7.627 11.672 3.934 1.00 0.00 O ATOM 570 OD2 ASP A 37 7.134 10.118 5.343 1.00 0.00 O ATOM 0 H ASP A 37 6.128 8.558 1.025 1.00 0.00 H new ATOM 0 HA ASP A 37 8.183 10.488 1.710 1.00 0.00 H new ATOM 0 HB2 ASP A 37 5.781 10.155 2.620 1.00 0.00 H new ATOM 0 HB3 ASP A 37 6.360 8.722 3.447 1.00 0.00 H new ATOM 575 N ASN A 38 8.723 7.392 2.647 1.00 0.00 N ATOM 576 CA ASN A 38 9.804 6.506 3.174 1.00 0.00 C ATOM 577 C ASN A 38 10.754 6.102 2.042 1.00 0.00 C ATOM 578 O ASN A 38 11.924 5.853 2.262 1.00 0.00 O ATOM 579 CB ASN A 38 9.078 5.278 3.725 1.00 0.00 C ATOM 580 CG ASN A 38 8.389 5.636 5.043 1.00 0.00 C ATOM 581 OD1 ASN A 38 8.806 5.200 6.098 1.00 0.00 O ATOM 582 ND2 ASN A 38 7.343 6.417 5.028 1.00 0.00 N ATOM 0 H ASN A 38 7.866 6.912 2.374 1.00 0.00 H new ATOM 0 HA ASN A 38 10.407 7.000 3.936 1.00 0.00 H new ATOM 0 HB2 ASN A 38 8.342 4.924 3.003 1.00 0.00 H new ATOM 0 HB3 ASN A 38 9.786 4.465 3.883 1.00 0.00 H new ATOM 0 HD21 ASN A 38 6.876 6.661 5.901 1.00 0.00 H new ATOM 0 HD22 ASN A 38 6.993 6.783 4.143 1.00 0.00 H new ATOM 589 N GLY A 39 10.254 6.035 0.835 1.00 0.00 N ATOM 590 CA GLY A 39 11.115 5.648 -0.320 1.00 0.00 C ATOM 591 C GLY A 39 10.870 4.178 -0.668 1.00 0.00 C ATOM 592 O GLY A 39 11.798 3.404 -0.808 1.00 0.00 O ATOM 0 H GLY A 39 9.281 6.233 0.600 1.00 0.00 H new ATOM 0 HA2 GLY A 39 10.893 6.279 -1.181 1.00 0.00 H new ATOM 0 HA3 GLY A 39 12.165 5.804 -0.073 1.00 0.00 H new ATOM 596 N ILE A 40 9.626 3.791 -0.808 1.00 0.00 N ATOM 597 CA ILE A 40 9.315 2.371 -1.149 1.00 0.00 C ATOM 598 C ILE A 40 8.934 2.251 -2.629 1.00 0.00 C ATOM 599 O ILE A 40 7.834 1.854 -2.965 1.00 0.00 O ATOM 600 CB ILE A 40 8.139 1.987 -0.239 1.00 0.00 C ATOM 601 CG1 ILE A 40 8.601 2.051 1.222 1.00 0.00 C ATOM 602 CG2 ILE A 40 7.665 0.561 -0.564 1.00 0.00 C ATOM 603 CD1 ILE A 40 7.422 1.779 2.161 1.00 0.00 C ATOM 0 H ILE A 40 8.813 4.398 -0.701 1.00 0.00 H new ATOM 0 HA ILE A 40 10.169 1.711 -0.996 1.00 0.00 H new ATOM 0 HB ILE A 40 7.313 2.679 -0.401 1.00 0.00 H new ATOM 0 HG12 ILE A 40 9.389 1.318 1.394 1.00 0.00 H new ATOM 0 HG13 ILE A 40 9.026 3.032 1.434 1.00 0.00 H new ATOM 0 HG21 ILE A 40 6.831 0.298 0.086 1.00 0.00 H new ATOM 0 HG22 ILE A 40 7.343 0.513 -1.604 1.00 0.00 H new ATOM 0 HG23 ILE A 40 8.484 -0.140 -0.405 1.00 0.00 H new ATOM 0 HD11 ILE A 40 7.762 1.827 3.195 1.00 0.00 H new ATOM 0 HD12 ILE A 40 6.647 2.528 1.999 1.00 0.00 H new ATOM 0 HD13 ILE A 40 7.016 0.788 1.958 1.00 0.00 H new ATOM 615 N ASP A 41 9.845 2.570 -3.512 1.00 0.00 N ATOM 616 CA ASP A 41 9.551 2.451 -4.971 1.00 0.00 C ATOM 617 C ASP A 41 9.829 1.013 -5.411 1.00 0.00 C ATOM 618 O ASP A 41 10.651 0.760 -6.272 1.00 0.00 O ATOM 619 CB ASP A 41 10.507 3.428 -5.656 1.00 0.00 C ATOM 620 CG ASP A 41 9.947 4.848 -5.550 1.00 0.00 C ATOM 621 OD1 ASP A 41 9.162 5.221 -6.407 1.00 0.00 O ATOM 622 OD2 ASP A 41 10.311 5.539 -4.612 1.00 0.00 O ATOM 0 H ASP A 41 10.780 2.908 -3.285 1.00 0.00 H new ATOM 0 HA ASP A 41 8.515 2.680 -5.220 1.00 0.00 H new ATOM 0 HB2 ASP A 41 11.491 3.378 -5.190 1.00 0.00 H new ATOM 0 HB3 ASP A 41 10.636 3.154 -6.703 1.00 0.00 H new ATOM 627 N GLY A 42 9.158 0.070 -4.802 1.00 0.00 N ATOM 628 CA GLY A 42 9.376 -1.363 -5.141 1.00 0.00 C ATOM 629 C GLY A 42 8.468 -1.779 -6.294 1.00 0.00 C ATOM 630 O GLY A 42 8.271 -1.046 -7.244 1.00 0.00 O ATOM 0 H GLY A 42 8.461 0.236 -4.076 1.00 0.00 H new ATOM 0 HA2 GLY A 42 10.419 -1.524 -5.414 1.00 0.00 H new ATOM 0 HA3 GLY A 42 9.175 -1.985 -4.269 1.00 0.00 H new ATOM 634 N GLU A 43 7.909 -2.955 -6.200 1.00 0.00 N ATOM 635 CA GLU A 43 7.001 -3.449 -7.261 1.00 0.00 C ATOM 636 C GLU A 43 5.610 -3.639 -6.670 1.00 0.00 C ATOM 637 O GLU A 43 5.355 -4.581 -5.942 1.00 0.00 O ATOM 638 CB GLU A 43 7.594 -4.782 -7.719 1.00 0.00 C ATOM 639 CG GLU A 43 8.859 -4.522 -8.540 1.00 0.00 C ATOM 640 CD GLU A 43 9.535 -5.852 -8.876 1.00 0.00 C ATOM 641 OE1 GLU A 43 9.654 -6.676 -7.983 1.00 0.00 O ATOM 642 OE2 GLU A 43 9.922 -6.025 -10.020 1.00 0.00 O ATOM 0 H GLU A 43 8.048 -3.599 -5.421 1.00 0.00 H new ATOM 0 HA GLU A 43 6.910 -2.758 -8.099 1.00 0.00 H new ATOM 0 HB2 GLU A 43 7.830 -5.403 -6.855 1.00 0.00 H new ATOM 0 HB3 GLU A 43 6.866 -5.330 -8.317 1.00 0.00 H new ATOM 0 HG2 GLU A 43 8.607 -3.989 -9.457 1.00 0.00 H new ATOM 0 HG3 GLU A 43 9.544 -3.886 -7.980 1.00 0.00 H new ATOM 649 N TRP A 44 4.725 -2.725 -6.947 1.00 0.00 N ATOM 650 CA TRP A 44 3.359 -2.806 -6.376 1.00 0.00 C ATOM 651 C TRP A 44 2.524 -3.904 -7.022 1.00 0.00 C ATOM 652 O TRP A 44 2.557 -4.122 -8.218 1.00 0.00 O ATOM 653 CB TRP A 44 2.732 -1.443 -6.633 1.00 0.00 C ATOM 654 CG TRP A 44 3.365 -0.454 -5.719 1.00 0.00 C ATOM 655 CD1 TRP A 44 4.611 0.051 -5.865 1.00 0.00 C ATOM 656 CD2 TRP A 44 2.816 0.143 -4.512 1.00 0.00 C ATOM 657 NE1 TRP A 44 4.859 0.928 -4.825 1.00 0.00 N ATOM 658 CE2 TRP A 44 3.781 1.017 -3.965 1.00 0.00 C ATOM 659 CE3 TRP A 44 1.584 0.014 -3.846 1.00 0.00 C ATOM 660 CZ2 TRP A 44 3.535 1.737 -2.799 1.00 0.00 C ATOM 661 CZ3 TRP A 44 1.332 0.739 -2.671 1.00 0.00 C ATOM 662 CH2 TRP A 44 2.307 1.598 -2.148 1.00 0.00 C ATOM 0 H TRP A 44 4.893 -1.920 -7.550 1.00 0.00 H new ATOM 0 HA TRP A 44 3.401 -3.055 -5.316 1.00 0.00 H new ATOM 0 HB2 TRP A 44 2.879 -1.148 -7.672 1.00 0.00 H new ATOM 0 HB3 TRP A 44 1.656 -1.482 -6.462 1.00 0.00 H new ATOM 0 HD1 TRP A 44 5.299 -0.191 -6.662 1.00 0.00 H new ATOM 0 HE1 TRP A 44 5.730 1.445 -4.707 1.00 0.00 H new ATOM 0 HE3 TRP A 44 0.827 -0.647 -4.241 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 4.289 2.399 -2.400 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 0.382 0.634 -2.168 1.00 0.00 H new ATOM 0 HH2 TRP A 44 2.109 2.152 -1.242 1.00 0.00 H new ATOM 673 N THR A 45 1.749 -4.566 -6.216 1.00 0.00 N ATOM 674 CA THR A 45 0.850 -5.640 -6.711 1.00 0.00 C ATOM 675 C THR A 45 -0.410 -5.620 -5.854 1.00 0.00 C ATOM 676 O THR A 45 -0.340 -5.545 -4.640 1.00 0.00 O ATOM 677 CB THR A 45 1.605 -6.962 -6.536 1.00 0.00 C ATOM 678 OG1 THR A 45 2.492 -6.873 -5.428 1.00 0.00 O ATOM 679 CG2 THR A 45 2.400 -7.274 -7.805 1.00 0.00 C ATOM 0 H THR A 45 1.700 -4.404 -5.210 1.00 0.00 H new ATOM 0 HA THR A 45 0.569 -5.509 -7.756 1.00 0.00 H new ATOM 0 HB THR A 45 0.885 -7.760 -6.354 1.00 0.00 H new ATOM 0 HG1 THR A 45 2.970 -7.722 -5.322 1.00 0.00 H new ATOM 0 HG21 THR A 45 2.936 -8.215 -7.677 1.00 0.00 H new ATOM 0 HG22 THR A 45 1.717 -7.357 -8.651 1.00 0.00 H new ATOM 0 HG23 THR A 45 3.114 -6.473 -7.993 1.00 0.00 H new ATOM 687 N TYR A 46 -1.554 -5.656 -6.470 1.00 0.00 N ATOM 688 CA TYR A 46 -2.824 -5.605 -5.691 1.00 0.00 C ATOM 689 C TYR A 46 -3.479 -6.993 -5.657 1.00 0.00 C ATOM 690 O TYR A 46 -3.929 -7.503 -6.667 1.00 0.00 O ATOM 691 CB TYR A 46 -3.680 -4.576 -6.452 1.00 0.00 C ATOM 692 CG TYR A 46 -5.127 -4.611 -6.002 1.00 0.00 C ATOM 693 CD1 TYR A 46 -5.513 -3.986 -4.810 1.00 0.00 C ATOM 694 CD2 TYR A 46 -6.084 -5.260 -6.792 1.00 0.00 C ATOM 695 CE1 TYR A 46 -6.852 -4.010 -4.410 1.00 0.00 C ATOM 696 CE2 TYR A 46 -7.423 -5.287 -6.390 1.00 0.00 C ATOM 697 CZ TYR A 46 -7.808 -4.661 -5.200 1.00 0.00 C ATOM 698 OH TYR A 46 -9.130 -4.685 -4.807 1.00 0.00 O ATOM 0 H TYR A 46 -1.668 -5.719 -7.482 1.00 0.00 H new ATOM 0 HA TYR A 46 -2.687 -5.322 -4.647 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -3.274 -3.577 -6.295 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -3.626 -4.777 -7.522 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -4.776 -3.485 -4.200 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -5.788 -5.740 -7.713 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -7.150 -3.526 -3.491 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -8.160 -5.791 -6.998 1.00 0.00 H new ATOM 0 HH TYR A 46 -9.426 -3.774 -4.598 1.00 0.00 H new ATOM 708 N ASP A 47 -3.539 -7.595 -4.498 1.00 0.00 N ATOM 709 CA ASP A 47 -4.167 -8.943 -4.378 1.00 0.00 C ATOM 710 C ASP A 47 -5.682 -8.797 -4.209 1.00 0.00 C ATOM 711 O ASP A 47 -6.165 -8.443 -3.149 1.00 0.00 O ATOM 712 CB ASP A 47 -3.542 -9.562 -3.127 1.00 0.00 C ATOM 713 CG ASP A 47 -2.041 -9.757 -3.348 1.00 0.00 C ATOM 714 OD1 ASP A 47 -1.339 -8.762 -3.428 1.00 0.00 O ATOM 715 OD2 ASP A 47 -1.618 -10.898 -3.433 1.00 0.00 O ATOM 0 H ASP A 47 -3.178 -7.209 -3.626 1.00 0.00 H new ATOM 0 HA ASP A 47 -4.001 -9.561 -5.260 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -3.712 -8.917 -2.265 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -4.015 -10.519 -2.907 1.00 0.00 H new ATOM 720 N ASP A 48 -6.429 -9.062 -5.250 1.00 0.00 N ATOM 721 CA ASP A 48 -7.917 -8.938 -5.166 1.00 0.00 C ATOM 722 C ASP A 48 -8.488 -9.965 -4.181 1.00 0.00 C ATOM 723 O ASP A 48 -9.555 -9.775 -3.626 1.00 0.00 O ATOM 724 CB ASP A 48 -8.425 -9.207 -6.588 1.00 0.00 C ATOM 725 CG ASP A 48 -7.987 -10.602 -7.047 1.00 0.00 C ATOM 726 OD1 ASP A 48 -6.791 -10.828 -7.130 1.00 0.00 O ATOM 727 OD2 ASP A 48 -8.855 -11.418 -7.309 1.00 0.00 O ATOM 0 H ASP A 48 -6.072 -9.360 -6.158 1.00 0.00 H new ATOM 0 HA ASP A 48 -8.225 -7.957 -4.806 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -9.512 -9.131 -6.615 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -8.036 -8.452 -7.271 1.00 0.00 H new ATOM 732 N ALA A 49 -7.788 -11.053 -3.963 1.00 0.00 N ATOM 733 CA ALA A 49 -8.285 -12.101 -3.017 1.00 0.00 C ATOM 734 C ALA A 49 -8.605 -11.490 -1.647 1.00 0.00 C ATOM 735 O ALA A 49 -9.531 -11.906 -0.975 1.00 0.00 O ATOM 736 CB ALA A 49 -7.139 -13.107 -2.894 1.00 0.00 C ATOM 0 H ALA A 49 -6.891 -11.260 -4.401 1.00 0.00 H new ATOM 0 HA ALA A 49 -9.203 -12.565 -3.377 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -7.429 -13.908 -2.214 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -6.916 -13.527 -3.875 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -6.254 -12.604 -2.505 1.00 0.00 H new ATOM 742 N THR A 50 -7.844 -10.508 -1.234 1.00 0.00 N ATOM 743 CA THR A 50 -8.096 -9.865 0.092 1.00 0.00 C ATOM 744 C THR A 50 -7.789 -8.360 0.041 1.00 0.00 C ATOM 745 O THR A 50 -7.660 -7.717 1.065 1.00 0.00 O ATOM 746 CB THR A 50 -7.142 -10.572 1.056 1.00 0.00 C ATOM 747 OG1 THR A 50 -5.807 -10.417 0.594 1.00 0.00 O ATOM 748 CG2 THR A 50 -7.490 -12.060 1.125 1.00 0.00 C ATOM 0 H THR A 50 -7.058 -10.123 -1.758 1.00 0.00 H new ATOM 0 HA THR A 50 -9.139 -9.956 0.397 1.00 0.00 H new ATOM 0 HB THR A 50 -7.238 -10.134 2.049 1.00 0.00 H new ATOM 0 HG1 THR A 50 -5.193 -10.868 1.211 1.00 0.00 H new ATOM 0 HG21 THR A 50 -6.809 -12.561 1.812 1.00 0.00 H new ATOM 0 HG22 THR A 50 -8.514 -12.178 1.478 1.00 0.00 H new ATOM 0 HG23 THR A 50 -7.395 -12.502 0.133 1.00 0.00 H new ATOM 756 N LYS A 51 -7.674 -7.790 -1.139 1.00 0.00 N ATOM 757 CA LYS A 51 -7.379 -6.322 -1.259 1.00 0.00 C ATOM 758 C LYS A 51 -6.175 -5.927 -0.390 1.00 0.00 C ATOM 759 O LYS A 51 -6.326 -5.575 0.766 1.00 0.00 O ATOM 760 CB LYS A 51 -8.651 -5.615 -0.769 1.00 0.00 C ATOM 761 CG LYS A 51 -9.305 -4.870 -1.934 1.00 0.00 C ATOM 762 CD LYS A 51 -10.352 -5.771 -2.594 1.00 0.00 C ATOM 763 CE LYS A 51 -11.413 -4.908 -3.289 1.00 0.00 C ATOM 764 NZ LYS A 51 -12.720 -5.491 -2.872 1.00 0.00 N ATOM 0 H LYS A 51 -7.772 -8.281 -2.028 1.00 0.00 H new ATOM 0 HA LYS A 51 -7.123 -6.046 -2.282 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -9.347 -6.344 -0.353 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -8.406 -4.916 0.031 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -9.773 -3.953 -1.576 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -8.549 -4.579 -2.663 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -9.874 -6.430 -3.319 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -10.822 -6.408 -1.845 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -11.332 -3.864 -2.986 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -11.296 -4.936 -4.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -13.495 -4.953 -3.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -12.771 -6.483 -3.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -12.806 -5.445 -1.837 1.00 0.00 H new ATOM 778 N THR A 52 -4.988 -5.981 -0.940 1.00 0.00 N ATOM 779 CA THR A 52 -3.779 -5.608 -0.146 1.00 0.00 C ATOM 780 C THR A 52 -2.645 -5.144 -1.065 1.00 0.00 C ATOM 781 O THR A 52 -2.015 -5.941 -1.735 1.00 0.00 O ATOM 782 CB THR A 52 -3.383 -6.891 0.590 1.00 0.00 C ATOM 783 OG1 THR A 52 -4.478 -7.339 1.376 1.00 0.00 O ATOM 784 CG2 THR A 52 -2.181 -6.616 1.497 1.00 0.00 C ATOM 0 H THR A 52 -4.805 -6.267 -1.902 1.00 0.00 H new ATOM 0 HA THR A 52 -3.978 -4.783 0.538 1.00 0.00 H new ATOM 0 HB THR A 52 -3.116 -7.658 -0.137 1.00 0.00 H new ATOM 0 HG1 THR A 52 -5.111 -6.602 1.505 1.00 0.00 H new ATOM 0 HG21 THR A 52 -1.902 -7.531 2.019 1.00 0.00 H new ATOM 0 HG22 THR A 52 -1.341 -6.272 0.894 1.00 0.00 H new ATOM 0 HG23 THR A 52 -2.443 -5.848 2.225 1.00 0.00 H new ATOM 792 N PHE A 53 -2.366 -3.862 -1.083 1.00 0.00 N ATOM 793 CA PHE A 53 -1.252 -3.344 -1.940 1.00 0.00 C ATOM 794 C PHE A 53 0.065 -3.965 -1.475 1.00 0.00 C ATOM 795 O PHE A 53 0.405 -3.898 -0.308 1.00 0.00 O ATOM 796 CB PHE A 53 -1.232 -1.831 -1.714 1.00 0.00 C ATOM 797 CG PHE A 53 -2.434 -1.204 -2.369 1.00 0.00 C ATOM 798 CD1 PHE A 53 -2.359 -0.769 -3.695 1.00 0.00 C ATOM 799 CD2 PHE A 53 -3.624 -1.057 -1.649 1.00 0.00 C ATOM 800 CE1 PHE A 53 -3.475 -0.185 -4.305 1.00 0.00 C ATOM 801 CE2 PHE A 53 -4.742 -0.473 -2.257 1.00 0.00 C ATOM 802 CZ PHE A 53 -4.667 -0.037 -3.586 1.00 0.00 C ATOM 0 H PHE A 53 -2.861 -3.153 -0.542 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.387 -3.588 -2.994 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.233 -1.613 -0.646 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -0.317 -1.404 -2.126 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -1.439 -0.884 -4.249 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -3.681 -1.394 -0.624 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -3.417 0.151 -5.330 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -5.661 -0.359 -1.702 1.00 0.00 H new ATOM 0 HZ PHE A 53 -5.529 0.413 -4.056 1.00 0.00 H new ATOM 812 N THR A 54 0.796 -4.593 -2.362 1.00 0.00 N ATOM 813 CA THR A 54 2.077 -5.239 -1.930 1.00 0.00 C ATOM 814 C THR A 54 3.302 -4.673 -2.670 1.00 0.00 C ATOM 815 O THR A 54 3.604 -5.075 -3.778 1.00 0.00 O ATOM 816 CB THR A 54 1.889 -6.723 -2.258 1.00 0.00 C ATOM 817 OG1 THR A 54 0.719 -7.202 -1.609 1.00 0.00 O ATOM 818 CG2 THR A 54 3.103 -7.522 -1.774 1.00 0.00 C ATOM 0 H THR A 54 0.568 -4.687 -3.352 1.00 0.00 H new ATOM 0 HA THR A 54 2.272 -5.056 -0.873 1.00 0.00 H new ATOM 0 HB THR A 54 1.788 -6.844 -3.337 1.00 0.00 H new ATOM 0 HG1 THR A 54 0.159 -7.680 -2.256 1.00 0.00 H new ATOM 0 HG21 THR A 54 2.962 -8.577 -2.011 1.00 0.00 H new ATOM 0 HG22 THR A 54 4.001 -7.155 -2.271 1.00 0.00 H new ATOM 0 HG23 THR A 54 3.210 -7.403 -0.696 1.00 0.00 H new ATOM 826 N VAL A 55 4.035 -3.777 -2.042 1.00 0.00 N ATOM 827 CA VAL A 55 5.264 -3.228 -2.679 1.00 0.00 C ATOM 828 C VAL A 55 6.499 -3.877 -2.037 1.00 0.00 C ATOM 829 O VAL A 55 6.407 -4.519 -1.007 1.00 0.00 O ATOM 830 CB VAL A 55 5.260 -1.703 -2.447 1.00 0.00 C ATOM 831 CG1 VAL A 55 5.439 -1.377 -0.966 1.00 0.00 C ATOM 832 CG2 VAL A 55 6.411 -1.071 -3.232 1.00 0.00 C ATOM 0 H VAL A 55 3.828 -3.407 -1.114 1.00 0.00 H new ATOM 0 HA VAL A 55 5.289 -3.440 -3.748 1.00 0.00 H new ATOM 0 HB VAL A 55 4.302 -1.306 -2.783 1.00 0.00 H new ATOM 0 HG11 VAL A 55 5.433 -0.296 -0.828 1.00 0.00 H new ATOM 0 HG12 VAL A 55 4.623 -1.820 -0.395 1.00 0.00 H new ATOM 0 HG13 VAL A 55 6.389 -1.782 -0.617 1.00 0.00 H new ATOM 0 HG21 VAL A 55 6.412 0.007 -3.071 1.00 0.00 H new ATOM 0 HG22 VAL A 55 7.358 -1.490 -2.891 1.00 0.00 H new ATOM 0 HG23 VAL A 55 6.284 -1.279 -4.294 1.00 0.00 H new ATOM 842 N THR A 56 7.643 -3.708 -2.638 1.00 0.00 N ATOM 843 CA THR A 56 8.888 -4.308 -2.084 1.00 0.00 C ATOM 844 C THR A 56 10.111 -3.591 -2.664 1.00 0.00 C ATOM 845 O THR A 56 10.417 -3.726 -3.836 1.00 0.00 O ATOM 846 CB THR A 56 8.842 -5.761 -2.556 1.00 0.00 C ATOM 847 OG1 THR A 56 7.688 -6.393 -2.020 1.00 0.00 O ATOM 848 CG2 THR A 56 10.096 -6.512 -2.093 1.00 0.00 C ATOM 0 H THR A 56 7.770 -3.174 -3.498 1.00 0.00 H new ATOM 0 HA THR A 56 8.957 -4.227 -0.999 1.00 0.00 H new ATOM 0 HB THR A 56 8.803 -5.779 -3.645 1.00 0.00 H new ATOM 0 HG1 THR A 56 7.332 -5.854 -1.283 1.00 0.00 H new ATOM 0 HG21 THR A 56 10.049 -7.545 -2.437 1.00 0.00 H new ATOM 0 HG22 THR A 56 10.982 -6.032 -2.508 1.00 0.00 H new ATOM 0 HG23 THR A 56 10.150 -6.494 -1.004 1.00 0.00 H new ATOM 856 N GLU A 57 10.806 -2.832 -1.856 1.00 0.00 N ATOM 857 CA GLU A 57 12.009 -2.103 -2.357 1.00 0.00 C ATOM 858 C GLU A 57 13.245 -3.002 -2.276 1.00 0.00 C ATOM 859 O GLU A 57 13.777 -3.340 -3.320 1.00 0.00 O ATOM 860 CB GLU A 57 12.159 -0.898 -1.428 1.00 0.00 C ATOM 861 CG GLU A 57 12.784 0.264 -2.201 1.00 0.00 C ATOM 862 CD GLU A 57 13.570 1.155 -1.238 1.00 0.00 C ATOM 863 OE1 GLU A 57 13.114 1.335 -0.121 1.00 0.00 O ATOM 864 OE2 GLU A 57 14.616 1.643 -1.634 1.00 0.00 O ATOM 865 OXT GLU A 57 13.639 -3.338 -1.170 1.00 0.00 O ATOM 0 H GLU A 57 10.592 -2.686 -0.870 1.00 0.00 H new ATOM 0 HA GLU A 57 11.904 -1.802 -3.399 1.00 0.00 H new ATOM 0 HB2 GLU A 57 11.186 -0.605 -1.034 1.00 0.00 H new ATOM 0 HB3 GLU A 57 12.784 -1.159 -0.574 1.00 0.00 H new ATOM 0 HG2 GLU A 57 13.444 -0.117 -2.981 1.00 0.00 H new ATOM 0 HG3 GLU A 57 12.006 0.844 -2.697 1.00 0.00 H new TER 872 GLU A 57