USER MOD reduce.3.24.130724 H: found=0, std=0, add=421, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 421 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 1 MET N :NH3+ -166:sc= -0.709 (180deg=-0.372) USER MOD Set 1.2: A 4 ASN : amide:sc= -1.94! C(o=-2.7!,f=-4.6!) USER MOD Single : A 1 MET CE :methyl -156:sc= -0.135 (180deg=-0.911) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= -0.527 (180deg=-0.527) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.0541) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 7:sc= 1.05 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -9.864 -14.255 -17.802 1.00 0.00 N ATOM 2 CA MET A 1 -8.776 -13.955 -18.774 1.00 0.00 C ATOM 3 C MET A 1 -7.421 -14.179 -18.108 1.00 0.00 C ATOM 4 O MET A 1 -7.127 -15.274 -17.630 1.00 0.00 O ATOM 5 CB MET A 1 -8.900 -12.511 -19.242 1.00 0.00 C ATOM 6 CG MET A 1 -10.163 -12.345 -20.068 1.00 0.00 C ATOM 7 SD MET A 1 -10.283 -10.634 -20.655 1.00 0.00 S ATOM 8 CE MET A 1 -10.623 -9.846 -19.059 1.00 0.00 C ATOM 0 H1 MET A 1 -10.769 -14.335 -18.308 1.00 0.00 H new ATOM 0 H2 MET A 1 -9.658 -15.151 -17.316 1.00 0.00 H new ATOM 0 H3 MET A 1 -9.925 -13.488 -17.102 1.00 0.00 H new ATOM 0 HA MET A 1 -8.860 -14.617 -19.636 1.00 0.00 H new ATOM 0 HB2 MET A 1 -8.926 -11.841 -18.382 1.00 0.00 H new ATOM 0 HB3 MET A 1 -8.028 -12.235 -19.835 1.00 0.00 H new ATOM 0 HG2 MET A 1 -10.149 -13.031 -20.915 1.00 0.00 H new ATOM 0 HG3 MET A 1 -11.038 -12.597 -19.469 1.00 0.00 H new ATOM 0 HE1 MET A 1 -11.140 -8.900 -19.223 1.00 0.00 H new ATOM 0 HE2 MET A 1 -11.250 -10.502 -18.455 1.00 0.00 H new ATOM 0 HE3 MET A 1 -9.684 -9.661 -18.537 1.00 0.00 H new ATOM 20 N PHE A 2 -6.599 -13.133 -18.083 1.00 0.00 N ATOM 21 CA PHE A 2 -5.282 -13.217 -17.481 1.00 0.00 C ATOM 22 C PHE A 2 -5.374 -13.051 -15.973 1.00 0.00 C ATOM 23 O PHE A 2 -4.369 -13.116 -15.267 1.00 0.00 O ATOM 24 CB PHE A 2 -4.397 -12.130 -18.056 1.00 0.00 C ATOM 25 CG PHE A 2 -4.209 -12.365 -19.535 1.00 0.00 C ATOM 26 CD1 PHE A 2 -5.112 -11.816 -20.452 1.00 0.00 C ATOM 27 CD2 PHE A 2 -3.131 -13.134 -19.986 1.00 0.00 C ATOM 28 CE1 PHE A 2 -4.936 -12.035 -21.824 1.00 0.00 C ATOM 29 CE2 PHE A 2 -2.954 -13.353 -21.358 1.00 0.00 C ATOM 30 CZ PHE A 2 -3.856 -12.803 -22.277 1.00 0.00 C ATOM 0 H PHE A 2 -6.827 -12.219 -18.474 1.00 0.00 H new ATOM 0 HA PHE A 2 -4.856 -14.196 -17.700 1.00 0.00 H new ATOM 0 HB2 PHE A 2 -4.847 -11.152 -17.887 1.00 0.00 H new ATOM 0 HB3 PHE A 2 -3.431 -12.128 -17.551 1.00 0.00 H new ATOM 0 HD1 PHE A 2 -5.944 -11.224 -20.102 1.00 0.00 H new ATOM 0 HD2 PHE A 2 -2.436 -13.558 -19.277 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -5.633 -11.612 -22.532 1.00 0.00 H new ATOM 0 HE2 PHE A 2 -2.122 -13.946 -21.707 1.00 0.00 H new ATOM 0 HZ PHE A 2 -3.719 -12.971 -23.335 1.00 0.00 H new ATOM 40 N SER A 3 -6.590 -12.824 -15.485 1.00 0.00 N ATOM 41 CA SER A 3 -6.818 -12.646 -14.052 1.00 0.00 C ATOM 42 C SER A 3 -7.396 -13.921 -13.440 1.00 0.00 C ATOM 43 O SER A 3 -7.277 -14.153 -12.238 1.00 0.00 O ATOM 44 CB SER A 3 -7.765 -11.469 -13.829 1.00 0.00 C ATOM 45 OG SER A 3 -7.009 -10.266 -13.789 1.00 0.00 O ATOM 0 H SER A 3 -7.431 -12.759 -16.058 1.00 0.00 H new ATOM 0 HA SER A 3 -5.867 -12.437 -13.562 1.00 0.00 H new ATOM 0 HB2 SER A 3 -8.503 -11.423 -14.630 1.00 0.00 H new ATOM 0 HB3 SER A 3 -8.314 -11.599 -12.897 1.00 0.00 H new ATOM 0 HG SER A 3 -7.611 -9.506 -13.648 1.00 0.00 H new ATOM 51 N ASN A 4 -8.026 -14.738 -14.277 1.00 0.00 N ATOM 52 CA ASN A 4 -8.623 -15.984 -13.808 1.00 0.00 C ATOM 53 C ASN A 4 -7.549 -17.030 -13.541 1.00 0.00 C ATOM 54 O ASN A 4 -7.805 -18.045 -12.892 1.00 0.00 O ATOM 55 CB ASN A 4 -9.610 -16.513 -14.845 1.00 0.00 C ATOM 56 CG ASN A 4 -10.818 -15.587 -14.950 1.00 0.00 C ATOM 57 OD1 ASN A 4 -11.435 -15.488 -16.011 1.00 0.00 O ATOM 58 ND2 ASN A 4 -11.197 -14.899 -13.908 1.00 0.00 N ATOM 0 H ASN A 4 -8.136 -14.563 -15.276 1.00 0.00 H new ATOM 0 HA ASN A 4 -9.151 -15.781 -12.876 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -9.120 -16.593 -15.815 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -9.935 -17.516 -14.568 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -12.004 -14.279 -13.972 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -10.686 -14.981 -13.029 1.00 0.00 H new ATOM 65 N ILE A 5 -6.349 -16.777 -14.045 1.00 0.00 N ATOM 66 CA ILE A 5 -5.243 -17.700 -13.858 1.00 0.00 C ATOM 67 C ILE A 5 -4.846 -17.788 -12.394 1.00 0.00 C ATOM 68 O ILE A 5 -4.611 -18.875 -11.878 1.00 0.00 O ATOM 69 CB ILE A 5 -4.046 -17.243 -14.690 1.00 0.00 C ATOM 70 CG1 ILE A 5 -3.672 -15.805 -14.300 1.00 0.00 C ATOM 71 CG2 ILE A 5 -4.408 -17.308 -16.172 1.00 0.00 C ATOM 72 CD1 ILE A 5 -2.704 -15.206 -15.331 1.00 0.00 C ATOM 0 H ILE A 5 -6.119 -15.943 -14.585 1.00 0.00 H new ATOM 0 HA ILE A 5 -5.563 -18.689 -14.185 1.00 0.00 H new ATOM 0 HB ILE A 5 -3.193 -17.895 -14.501 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -4.572 -15.193 -14.237 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -3.212 -15.797 -13.312 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -3.556 -16.983 -16.769 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -4.668 -18.332 -16.438 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -5.259 -16.655 -16.368 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -2.448 -14.187 -15.041 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -1.797 -15.810 -15.373 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -3.178 -15.196 -16.312 1.00 0.00 H new ATOM 84 N GLY A 6 -4.768 -16.639 -11.737 1.00 0.00 N ATOM 85 CA GLY A 6 -4.385 -16.596 -10.329 1.00 0.00 C ATOM 86 C GLY A 6 -2.917 -16.981 -10.163 1.00 0.00 C ATOM 87 O GLY A 6 -2.068 -16.565 -10.951 1.00 0.00 O ATOM 0 H GLY A 6 -4.963 -15.728 -12.152 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -4.552 -15.595 -9.931 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -5.013 -17.277 -9.754 1.00 0.00 H new ATOM 91 N ILE A 7 -2.623 -17.781 -9.142 1.00 0.00 N ATOM 92 CA ILE A 7 -1.252 -18.214 -8.900 1.00 0.00 C ATOM 93 C ILE A 7 -0.766 -19.141 -10.028 1.00 0.00 C ATOM 94 O ILE A 7 0.336 -18.957 -10.542 1.00 0.00 O ATOM 95 CB ILE A 7 -1.155 -18.896 -7.508 1.00 0.00 C ATOM 96 CG1 ILE A 7 -0.686 -17.871 -6.457 1.00 0.00 C ATOM 97 CG2 ILE A 7 -0.190 -20.087 -7.521 1.00 0.00 C ATOM 98 CD1 ILE A 7 0.832 -17.692 -6.503 1.00 0.00 C ATOM 0 H ILE A 7 -3.308 -18.139 -8.476 1.00 0.00 H new ATOM 0 HA ILE A 7 -0.595 -17.344 -8.897 1.00 0.00 H new ATOM 0 HB ILE A 7 -2.147 -19.269 -7.254 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -1.174 -16.913 -6.636 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -0.987 -18.201 -5.463 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -0.152 -20.535 -6.528 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -0.537 -20.829 -8.241 1.00 0.00 H new ATOM 0 HG23 ILE A 7 0.806 -19.745 -7.804 1.00 0.00 H new ATOM 0 HD11 ILE A 7 1.135 -16.963 -5.751 1.00 0.00 H new ATOM 0 HD12 ILE A 7 1.317 -18.647 -6.300 1.00 0.00 H new ATOM 0 HD13 ILE A 7 1.127 -17.338 -7.491 1.00 0.00 H new ATOM 110 N PRO A 8 -1.542 -20.120 -10.431 1.00 0.00 N ATOM 111 CA PRO A 8 -1.125 -21.046 -11.521 1.00 0.00 C ATOM 112 C PRO A 8 -0.410 -20.315 -12.656 1.00 0.00 C ATOM 113 O PRO A 8 0.546 -20.833 -13.232 1.00 0.00 O ATOM 114 CB PRO A 8 -2.449 -21.649 -11.990 1.00 0.00 C ATOM 115 CG PRO A 8 -3.320 -21.660 -10.775 1.00 0.00 C ATOM 116 CD PRO A 8 -2.877 -20.474 -9.901 1.00 0.00 C ATOM 0 HA PRO A 8 -0.407 -21.793 -11.184 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -2.893 -21.054 -12.789 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -2.307 -22.656 -12.383 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -4.370 -21.566 -11.051 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -3.216 -22.600 -10.233 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -3.572 -19.638 -9.979 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -2.828 -20.750 -8.848 1.00 0.00 H new ATOM 124 N GLY A 9 -0.868 -19.110 -12.961 1.00 0.00 N ATOM 125 CA GLY A 9 -0.254 -18.317 -14.018 1.00 0.00 C ATOM 126 C GLY A 9 1.061 -17.700 -13.551 1.00 0.00 C ATOM 127 O GLY A 9 1.965 -17.459 -14.351 1.00 0.00 O ATOM 0 H GLY A 9 -1.657 -18.661 -12.496 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -0.074 -18.945 -14.890 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -0.939 -17.528 -14.329 1.00 0.00 H new ATOM 131 N LEU A 10 1.154 -17.433 -12.252 1.00 0.00 N ATOM 132 CA LEU A 10 2.351 -16.828 -11.681 1.00 0.00 C ATOM 133 C LEU A 10 3.560 -17.743 -11.839 1.00 0.00 C ATOM 134 O LEU A 10 4.662 -17.280 -12.127 1.00 0.00 O ATOM 135 CB LEU A 10 2.110 -16.511 -10.204 1.00 0.00 C ATOM 136 CG LEU A 10 3.363 -15.848 -9.566 1.00 0.00 C ATOM 137 CD1 LEU A 10 2.932 -14.795 -8.538 1.00 0.00 C ATOM 138 CD2 LEU A 10 4.226 -16.901 -8.850 1.00 0.00 C ATOM 0 H LEU A 10 0.415 -17.626 -11.576 1.00 0.00 H new ATOM 0 HA LEU A 10 2.563 -15.904 -12.219 1.00 0.00 H new ATOM 0 HB2 LEU A 10 1.252 -15.846 -10.106 1.00 0.00 H new ATOM 0 HB3 LEU A 10 1.865 -17.427 -9.667 1.00 0.00 H new ATOM 0 HG LEU A 10 3.941 -15.382 -10.364 1.00 0.00 H new ATOM 0 HD11 LEU A 10 3.816 -14.335 -8.096 1.00 0.00 H new ATOM 0 HD12 LEU A 10 2.333 -14.029 -9.031 1.00 0.00 H new ATOM 0 HD13 LEU A 10 2.341 -15.271 -7.756 1.00 0.00 H new ATOM 0 HD21 LEU A 10 5.098 -16.418 -8.410 1.00 0.00 H new ATOM 0 HD22 LEU A 10 3.640 -17.378 -8.064 1.00 0.00 H new ATOM 0 HD23 LEU A 10 4.552 -17.654 -9.568 1.00 0.00 H new ATOM 150 N ILE A 11 3.356 -19.043 -11.647 1.00 0.00 N ATOM 151 CA ILE A 11 4.450 -20.000 -11.768 1.00 0.00 C ATOM 152 C ILE A 11 5.027 -19.957 -13.175 1.00 0.00 C ATOM 153 O ILE A 11 6.236 -19.926 -13.340 1.00 0.00 O ATOM 154 CB ILE A 11 3.933 -21.422 -11.448 1.00 0.00 C ATOM 155 CG1 ILE A 11 3.849 -21.623 -9.931 1.00 0.00 C ATOM 156 CG2 ILE A 11 4.870 -22.486 -12.039 1.00 0.00 C ATOM 157 CD1 ILE A 11 3.083 -20.466 -9.291 1.00 0.00 C ATOM 0 H ILE A 11 2.453 -19.454 -11.410 1.00 0.00 H new ATOM 0 HA ILE A 11 5.236 -19.738 -11.060 1.00 0.00 H new ATOM 0 HB ILE A 11 2.943 -21.528 -11.891 1.00 0.00 H new ATOM 0 HG12 ILE A 11 3.351 -22.567 -9.708 1.00 0.00 H new ATOM 0 HG13 ILE A 11 4.852 -21.684 -9.508 1.00 0.00 H new ATOM 0 HG21 ILE A 11 4.488 -23.479 -11.802 1.00 0.00 H new ATOM 0 HG22 ILE A 11 4.921 -22.365 -13.121 1.00 0.00 H new ATOM 0 HG23 ILE A 11 5.867 -22.370 -11.613 1.00 0.00 H new ATOM 0 HD11 ILE A 11 3.029 -20.618 -8.213 1.00 0.00 H new ATOM 0 HD12 ILE A 11 3.599 -19.529 -9.500 1.00 0.00 H new ATOM 0 HD13 ILE A 11 2.075 -20.425 -9.703 1.00 0.00 H new ATOM 169 N LEU A 12 4.165 -19.947 -14.176 1.00 0.00 N ATOM 170 CA LEU A 12 4.629 -19.918 -15.553 1.00 0.00 C ATOM 171 C LEU A 12 5.461 -18.665 -15.785 1.00 0.00 C ATOM 172 O LEU A 12 6.536 -18.730 -16.369 1.00 0.00 O ATOM 173 CB LEU A 12 3.415 -19.920 -16.493 1.00 0.00 C ATOM 174 CG LEU A 12 3.756 -20.587 -17.840 1.00 0.00 C ATOM 175 CD1 LEU A 12 4.995 -19.928 -18.457 1.00 0.00 C ATOM 176 CD2 LEU A 12 4.009 -22.101 -17.644 1.00 0.00 C ATOM 0 H LEU A 12 3.151 -19.958 -14.065 1.00 0.00 H new ATOM 0 HA LEU A 12 5.245 -20.795 -15.753 1.00 0.00 H new ATOM 0 HB2 LEU A 12 2.587 -20.449 -16.021 1.00 0.00 H new ATOM 0 HB3 LEU A 12 3.083 -18.896 -16.665 1.00 0.00 H new ATOM 0 HG LEU A 12 2.910 -20.456 -18.514 1.00 0.00 H new ATOM 0 HD11 LEU A 12 5.226 -20.407 -19.408 1.00 0.00 H new ATOM 0 HD12 LEU A 12 4.799 -18.869 -18.623 1.00 0.00 H new ATOM 0 HD13 LEU A 12 5.842 -20.039 -17.779 1.00 0.00 H new ATOM 0 HD21 LEU A 12 4.248 -22.557 -18.605 1.00 0.00 H new ATOM 0 HD22 LEU A 12 4.842 -22.245 -16.956 1.00 0.00 H new ATOM 0 HD23 LEU A 12 3.115 -22.569 -17.233 1.00 0.00 H new ATOM 188 N ILE A 13 4.962 -17.535 -15.294 1.00 0.00 N ATOM 189 CA ILE A 13 5.669 -16.267 -15.435 1.00 0.00 C ATOM 190 C ILE A 13 6.984 -16.309 -14.688 1.00 0.00 C ATOM 191 O ILE A 13 8.004 -15.817 -15.170 1.00 0.00 O ATOM 192 CB ILE A 13 4.814 -15.112 -14.883 1.00 0.00 C ATOM 193 CG1 ILE A 13 3.756 -14.716 -15.920 1.00 0.00 C ATOM 194 CG2 ILE A 13 5.701 -13.894 -14.554 1.00 0.00 C ATOM 195 CD1 ILE A 13 2.732 -13.783 -15.275 1.00 0.00 C ATOM 0 H ILE A 13 4.074 -17.471 -14.797 1.00 0.00 H new ATOM 0 HA ILE A 13 5.860 -16.103 -16.496 1.00 0.00 H new ATOM 0 HB ILE A 13 4.323 -15.444 -13.968 1.00 0.00 H new ATOM 0 HG12 ILE A 13 4.230 -14.222 -16.768 1.00 0.00 H new ATOM 0 HG13 ILE A 13 3.260 -15.606 -16.306 1.00 0.00 H new ATOM 0 HG21 ILE A 13 5.081 -13.087 -14.165 1.00 0.00 H new ATOM 0 HG22 ILE A 13 6.442 -14.175 -13.806 1.00 0.00 H new ATOM 0 HG23 ILE A 13 6.208 -13.558 -15.459 1.00 0.00 H new ATOM 0 HD11 ILE A 13 1.980 -13.502 -16.013 1.00 0.00 H new ATOM 0 HD12 ILE A 13 2.249 -14.293 -14.441 1.00 0.00 H new ATOM 0 HD13 ILE A 13 3.235 -12.887 -14.910 1.00 0.00 H new ATOM 207 N PHE A 14 6.942 -16.850 -13.491 1.00 0.00 N ATOM 208 CA PHE A 14 8.119 -16.890 -12.674 1.00 0.00 C ATOM 209 C PHE A 14 9.225 -17.620 -13.418 1.00 0.00 C ATOM 210 O PHE A 14 10.376 -17.191 -13.412 1.00 0.00 O ATOM 211 CB PHE A 14 7.788 -17.577 -11.350 1.00 0.00 C ATOM 212 CG PHE A 14 8.697 -17.069 -10.249 1.00 0.00 C ATOM 213 CD1 PHE A 14 10.069 -17.326 -10.294 1.00 0.00 C ATOM 214 CD2 PHE A 14 8.161 -16.324 -9.189 1.00 0.00 C ATOM 215 CE1 PHE A 14 10.906 -16.841 -9.279 1.00 0.00 C ATOM 216 CE2 PHE A 14 8.998 -15.840 -8.178 1.00 0.00 C ATOM 217 CZ PHE A 14 10.370 -16.098 -8.224 1.00 0.00 C ATOM 0 H PHE A 14 6.110 -17.263 -13.070 1.00 0.00 H new ATOM 0 HA PHE A 14 8.466 -15.880 -12.458 1.00 0.00 H new ATOM 0 HB2 PHE A 14 6.747 -17.390 -11.086 1.00 0.00 H new ATOM 0 HB3 PHE A 14 7.901 -18.656 -11.455 1.00 0.00 H new ATOM 0 HD1 PHE A 14 10.485 -17.898 -11.110 1.00 0.00 H new ATOM 0 HD2 PHE A 14 7.100 -16.124 -9.153 1.00 0.00 H new ATOM 0 HE1 PHE A 14 11.967 -17.042 -9.313 1.00 0.00 H new ATOM 0 HE2 PHE A 14 8.583 -15.267 -7.362 1.00 0.00 H new ATOM 0 HZ PHE A 14 11.016 -15.723 -7.444 1.00 0.00 H new ATOM 227 N VAL A 15 8.853 -18.717 -14.066 1.00 0.00 N ATOM 228 CA VAL A 15 9.800 -19.525 -14.824 1.00 0.00 C ATOM 229 C VAL A 15 10.498 -18.682 -15.882 1.00 0.00 C ATOM 230 O VAL A 15 11.700 -18.800 -16.105 1.00 0.00 O ATOM 231 CB VAL A 15 9.064 -20.685 -15.489 1.00 0.00 C ATOM 232 CG1 VAL A 15 10.094 -21.632 -16.126 1.00 0.00 C ATOM 233 CG2 VAL A 15 8.213 -21.431 -14.428 1.00 0.00 C ATOM 0 H VAL A 15 7.896 -19.069 -14.081 1.00 0.00 H new ATOM 0 HA VAL A 15 10.554 -19.915 -14.140 1.00 0.00 H new ATOM 0 HB VAL A 15 8.398 -20.313 -16.267 1.00 0.00 H new ATOM 0 HG11 VAL A 15 9.577 -22.464 -16.604 1.00 0.00 H new ATOM 0 HG12 VAL A 15 10.675 -21.089 -16.872 1.00 0.00 H new ATOM 0 HG13 VAL A 15 10.762 -22.015 -15.355 1.00 0.00 H new ATOM 0 HG21 VAL A 15 7.687 -22.260 -14.901 1.00 0.00 H new ATOM 0 HG22 VAL A 15 8.865 -21.816 -13.644 1.00 0.00 H new ATOM 0 HG23 VAL A 15 7.489 -20.742 -13.993 1.00 0.00 H new ATOM 243 N ILE A 16 9.733 -17.834 -16.533 1.00 0.00 N ATOM 244 CA ILE A 16 10.295 -16.968 -17.573 1.00 0.00 C ATOM 245 C ILE A 16 11.515 -16.252 -17.035 1.00 0.00 C ATOM 246 O ILE A 16 12.479 -16.016 -17.755 1.00 0.00 O ATOM 247 CB ILE A 16 9.274 -15.939 -18.036 1.00 0.00 C ATOM 248 CG1 ILE A 16 7.985 -16.657 -18.423 1.00 0.00 C ATOM 249 CG2 ILE A 16 9.830 -15.158 -19.228 1.00 0.00 C ATOM 250 CD1 ILE A 16 8.250 -17.734 -19.486 1.00 0.00 C ATOM 0 H ILE A 16 8.733 -17.718 -16.372 1.00 0.00 H new ATOM 0 HA ILE A 16 10.572 -17.592 -18.423 1.00 0.00 H new ATOM 0 HB ILE A 16 9.065 -15.235 -17.230 1.00 0.00 H new ATOM 0 HG12 ILE A 16 7.541 -17.115 -17.539 1.00 0.00 H new ATOM 0 HG13 ILE A 16 7.263 -15.935 -18.804 1.00 0.00 H new ATOM 0 HG21 ILE A 16 9.095 -14.423 -19.556 1.00 0.00 H new ATOM 0 HG22 ILE A 16 10.747 -14.648 -18.933 1.00 0.00 H new ATOM 0 HG23 ILE A 16 10.044 -15.846 -20.046 1.00 0.00 H new ATOM 0 HD11 ILE A 16 7.314 -18.230 -19.743 1.00 0.00 H new ATOM 0 HD12 ILE A 16 8.671 -17.269 -20.378 1.00 0.00 H new ATOM 0 HD13 ILE A 16 8.953 -18.468 -19.093 1.00 0.00 H new ATOM 262 N ALA A 17 11.460 -15.914 -15.761 1.00 0.00 N ATOM 263 CA ALA A 17 12.574 -15.240 -15.105 1.00 0.00 C ATOM 264 C ALA A 17 13.691 -16.245 -14.810 1.00 0.00 C ATOM 265 O ALA A 17 14.872 -15.899 -14.785 1.00 0.00 O ATOM 266 CB ALA A 17 12.086 -14.579 -13.814 1.00 0.00 C ATOM 0 H ALA A 17 10.658 -16.093 -15.156 1.00 0.00 H new ATOM 0 HA ALA A 17 12.971 -14.468 -15.764 1.00 0.00 H new ATOM 0 HB1 ALA A 17 12.920 -14.076 -13.325 1.00 0.00 H new ATOM 0 HB2 ALA A 17 11.310 -13.850 -14.049 1.00 0.00 H new ATOM 0 HB3 ALA A 17 11.680 -15.339 -13.147 1.00 0.00 H new ATOM 272 N LEU A 18 13.295 -17.480 -14.576 1.00 0.00 N ATOM 273 CA LEU A 18 14.231 -18.544 -14.279 1.00 0.00 C ATOM 274 C LEU A 18 15.041 -18.970 -15.495 1.00 0.00 C ATOM 275 O LEU A 18 16.255 -19.150 -15.409 1.00 0.00 O ATOM 276 CB LEU A 18 13.444 -19.732 -13.765 1.00 0.00 C ATOM 277 CG LEU A 18 12.669 -19.372 -12.483 1.00 0.00 C ATOM 278 CD1 LEU A 18 12.173 -20.641 -11.785 1.00 0.00 C ATOM 279 CD2 LEU A 18 13.527 -18.553 -11.522 1.00 0.00 C ATOM 0 H LEU A 18 12.318 -17.773 -14.586 1.00 0.00 H new ATOM 0 HA LEU A 18 14.939 -18.176 -13.536 1.00 0.00 H new ATOM 0 HB2 LEU A 18 12.747 -20.070 -14.532 1.00 0.00 H new ATOM 0 HB3 LEU A 18 14.122 -20.561 -13.563 1.00 0.00 H new ATOM 0 HG LEU A 18 11.813 -18.764 -12.776 1.00 0.00 H new ATOM 0 HD11 LEU A 18 11.628 -20.370 -10.881 1.00 0.00 H new ATOM 0 HD12 LEU A 18 11.513 -21.191 -12.456 1.00 0.00 H new ATOM 0 HD13 LEU A 18 13.025 -21.267 -11.520 1.00 0.00 H new ATOM 0 HD21 LEU A 18 12.949 -18.317 -10.629 1.00 0.00 H new ATOM 0 HD22 LEU A 18 14.409 -19.128 -11.241 1.00 0.00 H new ATOM 0 HD23 LEU A 18 13.837 -17.628 -12.009 1.00 0.00 H new ATOM 291 N ILE A 19 14.372 -19.146 -16.620 1.00 0.00 N ATOM 292 CA ILE A 19 15.064 -19.568 -17.825 1.00 0.00 C ATOM 293 C ILE A 19 16.155 -18.558 -18.151 1.00 0.00 C ATOM 294 O ILE A 19 17.295 -18.925 -18.440 1.00 0.00 O ATOM 295 CB ILE A 19 14.057 -19.711 -18.976 1.00 0.00 C ATOM 296 CG1 ILE A 19 14.784 -19.967 -20.295 1.00 0.00 C ATOM 297 CG2 ILE A 19 13.216 -18.448 -19.093 1.00 0.00 C ATOM 298 CD1 ILE A 19 15.690 -21.191 -20.157 1.00 0.00 C ATOM 0 H ILE A 19 13.367 -19.006 -16.725 1.00 0.00 H new ATOM 0 HA ILE A 19 15.533 -20.540 -17.674 1.00 0.00 H new ATOM 0 HB ILE A 19 13.407 -20.559 -18.762 1.00 0.00 H new ATOM 0 HG12 ILE A 19 14.061 -20.127 -21.095 1.00 0.00 H new ATOM 0 HG13 ILE A 19 15.376 -19.094 -20.570 1.00 0.00 H new ATOM 0 HG21 ILE A 19 12.505 -18.559 -19.912 1.00 0.00 H new ATOM 0 HG22 ILE A 19 12.674 -18.284 -18.162 1.00 0.00 H new ATOM 0 HG23 ILE A 19 13.866 -17.595 -19.290 1.00 0.00 H new ATOM 0 HD11 ILE A 19 16.206 -21.370 -21.100 1.00 0.00 H new ATOM 0 HD12 ILE A 19 16.423 -21.014 -19.370 1.00 0.00 H new ATOM 0 HD13 ILE A 19 15.087 -22.063 -19.902 1.00 0.00 H new ATOM 310 N ILE A 20 15.804 -17.287 -18.041 1.00 0.00 N ATOM 311 CA ILE A 20 16.757 -16.213 -18.263 1.00 0.00 C ATOM 312 C ILE A 20 17.735 -16.141 -17.089 1.00 0.00 C ATOM 313 O ILE A 20 18.951 -16.161 -17.285 1.00 0.00 O ATOM 314 CB ILE A 20 16.013 -14.898 -18.445 1.00 0.00 C ATOM 315 CG1 ILE A 20 17.009 -13.760 -18.593 1.00 0.00 C ATOM 316 CG2 ILE A 20 15.099 -14.633 -17.265 1.00 0.00 C ATOM 317 CD1 ILE A 20 16.247 -12.454 -18.668 1.00 0.00 C ATOM 0 H ILE A 20 14.864 -16.974 -17.799 1.00 0.00 H new ATOM 0 HA ILE A 20 17.330 -16.408 -19.170 1.00 0.00 H new ATOM 0 HB ILE A 20 15.404 -14.965 -19.346 1.00 0.00 H new ATOM 0 HG12 ILE A 20 17.697 -13.748 -17.748 1.00 0.00 H new ATOM 0 HG13 ILE A 20 17.610 -13.899 -19.492 1.00 0.00 H new ATOM 0 HG21 ILE A 20 14.576 -13.688 -17.415 1.00 0.00 H new ATOM 0 HG22 ILE A 20 14.372 -15.440 -17.180 1.00 0.00 H new ATOM 0 HG23 ILE A 20 15.691 -14.579 -16.351 1.00 0.00 H new ATOM 0 HD11 ILE A 20 16.950 -11.628 -18.774 1.00 0.00 H new ATOM 0 HD12 ILE A 20 15.577 -12.473 -19.527 1.00 0.00 H new ATOM 0 HD13 ILE A 20 15.665 -12.320 -17.756 1.00 0.00 H new ATOM 329 N PHE A 21 17.209 -16.040 -15.863 1.00 0.00 N ATOM 330 CA PHE A 21 18.065 -15.963 -14.686 1.00 0.00 C ATOM 331 C PHE A 21 18.444 -17.358 -14.184 1.00 0.00 C ATOM 332 O PHE A 21 19.546 -17.827 -14.484 1.00 0.00 O ATOM 333 CB PHE A 21 17.390 -15.146 -13.587 1.00 0.00 C ATOM 334 CG PHE A 21 16.869 -13.833 -14.159 1.00 0.00 C ATOM 335 CD1 PHE A 21 17.690 -13.019 -14.964 1.00 0.00 C ATOM 336 CD2 PHE A 21 15.554 -13.434 -13.893 1.00 0.00 C ATOM 337 CE1 PHE A 21 17.192 -11.827 -15.497 1.00 0.00 C ATOM 338 CE2 PHE A 21 15.061 -12.232 -14.425 1.00 0.00 C ATOM 339 CZ PHE A 21 15.880 -11.432 -15.228 1.00 0.00 C ATOM 0 H PHE A 21 16.209 -16.010 -15.667 1.00 0.00 H new ATOM 0 HA PHE A 21 18.988 -15.456 -14.970 1.00 0.00 H new ATOM 0 HB2 PHE A 21 16.568 -15.715 -13.153 1.00 0.00 H new ATOM 0 HB3 PHE A 21 18.099 -14.946 -12.783 1.00 0.00 H new ATOM 0 HD1 PHE A 21 18.707 -13.317 -15.170 1.00 0.00 H new ATOM 0 HD2 PHE A 21 14.917 -14.052 -13.277 1.00 0.00 H new ATOM 0 HE1 PHE A 21 17.824 -11.210 -16.119 1.00 0.00 H new ATOM 0 HE2 PHE A 21 14.047 -11.925 -14.214 1.00 0.00 H new ATOM 0 HZ PHE A 21 15.498 -10.509 -15.640 1.00 0.00 H new ATOM 349 N GLY A 22 17.541 -18.043 -13.434 1.00 0.00 N ATOM 350 CA GLY A 22 17.845 -19.403 -12.944 1.00 0.00 C ATOM 351 C GLY A 22 17.602 -19.595 -11.416 1.00 0.00 C ATOM 352 O GLY A 22 18.140 -18.833 -10.623 1.00 0.00 O ATOM 0 H GLY A 22 16.625 -17.685 -13.165 1.00 0.00 H new ATOM 0 HA2 GLY A 22 17.234 -20.121 -13.492 1.00 0.00 H new ATOM 0 HA3 GLY A 22 18.886 -19.635 -13.168 1.00 0.00 H new ATOM 356 N PRO A 23 16.851 -20.612 -10.976 1.00 0.00 N ATOM 357 CA PRO A 23 16.617 -20.877 -9.506 1.00 0.00 C ATOM 358 C PRO A 23 17.906 -20.999 -8.706 1.00 0.00 C ATOM 359 O PRO A 23 17.927 -20.714 -7.520 1.00 0.00 O ATOM 360 CB PRO A 23 15.851 -22.210 -9.475 1.00 0.00 C ATOM 361 CG PRO A 23 16.010 -22.775 -10.841 1.00 0.00 C ATOM 362 CD PRO A 23 16.137 -21.601 -11.783 1.00 0.00 C ATOM 0 HA PRO A 23 16.076 -20.049 -9.048 1.00 0.00 H new ATOM 0 HB2 PRO A 23 16.258 -22.882 -8.720 1.00 0.00 H new ATOM 0 HB3 PRO A 23 14.800 -22.056 -9.231 1.00 0.00 H new ATOM 0 HG2 PRO A 23 16.892 -23.413 -10.896 1.00 0.00 H new ATOM 0 HG3 PRO A 23 15.153 -23.393 -11.106 1.00 0.00 H new ATOM 0 HD2 PRO A 23 16.691 -21.864 -12.684 1.00 0.00 H new ATOM 0 HD3 PRO A 23 15.163 -21.233 -12.104 1.00 0.00 H new ATOM 370 N SER A 24 18.962 -21.458 -9.341 1.00 0.00 N ATOM 371 CA SER A 24 20.223 -21.601 -8.646 1.00 0.00 C ATOM 372 C SER A 24 20.848 -20.225 -8.453 1.00 0.00 C ATOM 373 O SER A 24 21.493 -19.959 -7.442 1.00 0.00 O ATOM 374 CB SER A 24 21.157 -22.519 -9.437 1.00 0.00 C ATOM 375 OG SER A 24 22.124 -23.059 -8.548 1.00 0.00 O ATOM 0 H SER A 24 18.975 -21.735 -10.323 1.00 0.00 H new ATOM 0 HA SER A 24 20.055 -22.052 -7.668 1.00 0.00 H new ATOM 0 HB2 SER A 24 20.589 -23.320 -9.909 1.00 0.00 H new ATOM 0 HB3 SER A 24 21.647 -21.962 -10.236 1.00 0.00 H new ATOM 0 HG SER A 24 22.729 -23.651 -9.043 1.00 0.00 H new ATOM 381 N LYS A 25 20.673 -19.360 -9.461 1.00 0.00 N ATOM 382 CA LYS A 25 21.249 -18.022 -9.447 1.00 0.00 C ATOM 383 C LYS A 25 20.324 -16.973 -8.808 1.00 0.00 C ATOM 384 O LYS A 25 20.730 -15.832 -8.612 1.00 0.00 O ATOM 385 CB LYS A 25 21.581 -17.630 -10.903 1.00 0.00 C ATOM 386 CG LYS A 25 22.965 -16.975 -10.989 1.00 0.00 C ATOM 387 CD LYS A 25 24.068 -18.006 -10.639 1.00 0.00 C ATOM 388 CE LYS A 25 25.327 -17.706 -11.442 1.00 0.00 C ATOM 389 NZ LYS A 25 26.398 -18.661 -11.043 1.00 0.00 N ATOM 0 H LYS A 25 20.132 -19.572 -10.299 1.00 0.00 H new ATOM 0 HA LYS A 25 22.147 -18.042 -8.830 1.00 0.00 H new ATOM 0 HB2 LYS A 25 21.553 -18.515 -11.538 1.00 0.00 H new ATOM 0 HB3 LYS A 25 20.824 -16.942 -11.281 1.00 0.00 H new ATOM 0 HG2 LYS A 25 23.128 -16.584 -11.993 1.00 0.00 H new ATOM 0 HG3 LYS A 25 23.018 -16.128 -10.304 1.00 0.00 H new ATOM 0 HD2 LYS A 25 24.288 -17.969 -9.572 1.00 0.00 H new ATOM 0 HD3 LYS A 25 23.718 -19.015 -10.857 1.00 0.00 H new ATOM 0 HE2 LYS A 25 25.123 -17.794 -12.509 1.00 0.00 H new ATOM 0 HE3 LYS A 25 25.652 -16.681 -11.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 27.261 -18.462 -11.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 26.597 -18.555 -10.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 26.085 -19.634 -11.235 1.00 0.00 H new ATOM 403 N LEU A 26 19.094 -17.342 -8.492 1.00 0.00 N ATOM 404 CA LEU A 26 18.159 -16.395 -7.884 1.00 0.00 C ATOM 405 C LEU A 26 18.522 -16.194 -6.386 1.00 0.00 C ATOM 406 O LEU A 26 18.795 -15.072 -5.976 1.00 0.00 O ATOM 407 CB LEU A 26 16.719 -16.891 -8.131 1.00 0.00 C ATOM 408 CG LEU A 26 15.659 -15.890 -7.640 1.00 0.00 C ATOM 409 CD1 LEU A 26 15.350 -14.860 -8.733 1.00 0.00 C ATOM 410 CD2 LEU A 26 14.369 -16.648 -7.333 1.00 0.00 C ATOM 0 H LEU A 26 18.717 -18.278 -8.642 1.00 0.00 H new ATOM 0 HA LEU A 26 18.230 -15.408 -8.340 1.00 0.00 H new ATOM 0 HB2 LEU A 26 16.578 -17.071 -9.197 1.00 0.00 H new ATOM 0 HB3 LEU A 26 16.575 -17.845 -7.625 1.00 0.00 H new ATOM 0 HG LEU A 26 16.040 -15.383 -6.753 1.00 0.00 H new ATOM 0 HD11 LEU A 26 14.598 -14.159 -8.370 1.00 0.00 H new ATOM 0 HD12 LEU A 26 16.260 -14.317 -8.989 1.00 0.00 H new ATOM 0 HD13 LEU A 26 14.972 -15.371 -9.618 1.00 0.00 H new ATOM 0 HD21 LEU A 26 13.610 -15.948 -6.984 1.00 0.00 H new ATOM 0 HD22 LEU A 26 14.016 -17.146 -8.236 1.00 0.00 H new ATOM 0 HD23 LEU A 26 14.559 -17.392 -6.560 1.00 0.00 H new ATOM 422 N PRO A 27 18.605 -17.241 -5.579 1.00 0.00 N ATOM 423 CA PRO A 27 19.031 -17.128 -4.140 1.00 0.00 C ATOM 424 C PRO A 27 20.396 -16.433 -3.990 1.00 0.00 C ATOM 425 O PRO A 27 20.578 -15.557 -3.150 1.00 0.00 O ATOM 426 CB PRO A 27 19.143 -18.600 -3.664 1.00 0.00 C ATOM 427 CG PRO A 27 19.020 -19.451 -4.890 1.00 0.00 C ATOM 428 CD PRO A 27 18.282 -18.615 -5.923 1.00 0.00 C ATOM 0 HA PRO A 27 18.325 -16.530 -3.564 1.00 0.00 H new ATOM 0 HB2 PRO A 27 20.095 -18.775 -3.164 1.00 0.00 H new ATOM 0 HB3 PRO A 27 18.358 -18.837 -2.946 1.00 0.00 H new ATOM 0 HG2 PRO A 27 20.003 -19.744 -5.259 1.00 0.00 H new ATOM 0 HG3 PRO A 27 18.474 -20.369 -4.672 1.00 0.00 H new ATOM 0 HD2 PRO A 27 18.607 -18.857 -6.935 1.00 0.00 H new ATOM 0 HD3 PRO A 27 17.207 -18.792 -5.882 1.00 0.00 H new ATOM 436 N GLU A 28 21.356 -16.870 -4.802 1.00 0.00 N ATOM 437 CA GLU A 28 22.712 -16.334 -4.756 1.00 0.00 C ATOM 438 C GLU A 28 22.754 -14.839 -5.033 1.00 0.00 C ATOM 439 O GLU A 28 23.440 -14.090 -4.331 1.00 0.00 O ATOM 440 CB GLU A 28 23.579 -17.076 -5.774 1.00 0.00 C ATOM 441 CG GLU A 28 25.016 -16.590 -5.646 1.00 0.00 C ATOM 442 CD GLU A 28 25.936 -17.411 -6.544 1.00 0.00 C ATOM 443 OE1 GLU A 28 25.613 -17.557 -7.709 1.00 0.00 O ATOM 444 OE2 GLU A 28 26.948 -17.874 -6.053 1.00 0.00 O ATOM 0 H GLU A 28 21.217 -17.598 -5.503 1.00 0.00 H new ATOM 0 HA GLU A 28 23.096 -16.483 -3.747 1.00 0.00 H new ATOM 0 HB2 GLU A 28 23.528 -18.151 -5.600 1.00 0.00 H new ATOM 0 HB3 GLU A 28 23.210 -16.898 -6.784 1.00 0.00 H new ATOM 0 HG2 GLU A 28 25.076 -15.536 -5.919 1.00 0.00 H new ATOM 0 HG3 GLU A 28 25.343 -16.670 -4.609 1.00 0.00 H new ATOM 451 N ILE A 29 22.042 -14.401 -6.051 1.00 0.00 N ATOM 452 CA ILE A 29 22.032 -12.982 -6.393 1.00 0.00 C ATOM 453 C ILE A 29 21.392 -12.166 -5.274 1.00 0.00 C ATOM 454 O ILE A 29 21.879 -11.092 -4.916 1.00 0.00 O ATOM 455 CB ILE A 29 21.283 -12.770 -7.703 1.00 0.00 C ATOM 456 CG1 ILE A 29 22.095 -13.384 -8.841 1.00 0.00 C ATOM 457 CG2 ILE A 29 21.104 -11.273 -7.964 1.00 0.00 C ATOM 458 CD1 ILE A 29 21.234 -13.474 -10.104 1.00 0.00 C ATOM 0 H ILE A 29 21.468 -14.992 -6.652 1.00 0.00 H new ATOM 0 HA ILE A 29 23.061 -12.643 -6.516 1.00 0.00 H new ATOM 0 HB ILE A 29 20.303 -13.243 -7.642 1.00 0.00 H new ATOM 0 HG12 ILE A 29 22.980 -12.779 -9.036 1.00 0.00 H new ATOM 0 HG13 ILE A 29 22.444 -14.377 -8.556 1.00 0.00 H new ATOM 0 HG21 ILE A 29 20.568 -11.129 -8.902 1.00 0.00 H new ATOM 0 HG22 ILE A 29 20.535 -10.827 -7.148 1.00 0.00 H new ATOM 0 HG23 ILE A 29 22.082 -10.795 -8.028 1.00 0.00 H new ATOM 0 HD11 ILE A 29 21.819 -13.913 -10.912 1.00 0.00 H new ATOM 0 HD12 ILE A 29 20.362 -14.098 -9.906 1.00 0.00 H new ATOM 0 HD13 ILE A 29 20.907 -12.475 -10.393 1.00 0.00 H new ATOM 470 N GLY A 30 20.297 -12.674 -4.726 1.00 0.00 N ATOM 471 CA GLY A 30 19.603 -11.975 -3.651 1.00 0.00 C ATOM 472 C GLY A 30 20.523 -11.778 -2.452 1.00 0.00 C ATOM 473 O GLY A 30 20.557 -10.702 -1.855 1.00 0.00 O ATOM 0 H GLY A 30 19.872 -13.559 -5.004 1.00 0.00 H new ATOM 0 HA2 GLY A 30 19.251 -11.007 -4.008 1.00 0.00 H new ATOM 0 HA3 GLY A 30 18.723 -12.543 -3.350 1.00 0.00 H new ATOM 477 N ARG A 31 21.270 -12.819 -2.100 1.00 0.00 N ATOM 478 CA ARG A 31 22.187 -12.740 -0.973 1.00 0.00 C ATOM 479 C ARG A 31 23.272 -11.715 -1.233 1.00 0.00 C ATOM 480 O ARG A 31 23.580 -10.885 -0.378 1.00 0.00 O ATOM 481 CB ARG A 31 22.856 -14.091 -0.801 1.00 0.00 C ATOM 482 CG ARG A 31 21.853 -15.105 -0.264 1.00 0.00 C ATOM 483 CD ARG A 31 22.383 -16.505 -0.503 1.00 0.00 C ATOM 484 NE ARG A 31 21.770 -17.449 0.430 1.00 0.00 N ATOM 485 CZ ARG A 31 20.577 -17.985 0.193 1.00 0.00 C ATOM 486 NH1 ARG A 31 19.923 -17.672 -0.891 1.00 0.00 N ATOM 487 NH2 ARG A 31 20.056 -18.821 1.050 1.00 0.00 N ATOM 0 H ARG A 31 21.258 -13.721 -2.576 1.00 0.00 H new ATOM 0 HA ARG A 31 21.625 -12.454 -0.084 1.00 0.00 H new ATOM 0 HB2 ARG A 31 23.255 -14.433 -1.756 1.00 0.00 H new ATOM 0 HB3 ARG A 31 23.699 -14.004 -0.116 1.00 0.00 H new ATOM 0 HG2 ARG A 31 21.688 -14.943 0.801 1.00 0.00 H new ATOM 0 HG3 ARG A 31 20.890 -14.979 -0.758 1.00 0.00 H new ATOM 0 HD2 ARG A 31 22.174 -16.810 -1.528 1.00 0.00 H new ATOM 0 HD3 ARG A 31 23.466 -16.516 -0.382 1.00 0.00 H new ATOM 0 HE ARG A 31 22.269 -17.702 1.283 1.00 0.00 H new ATOM 0 HH11 ARG A 31 20.327 -17.015 -1.559 1.00 0.00 H new ATOM 0 HH12 ARG A 31 19.008 -18.084 -1.071 1.00 0.00 H new ATOM 0 HH21 ARG A 31 20.564 -19.062 1.901 1.00 0.00 H new ATOM 0 HH22 ARG A 31 19.141 -19.233 0.869 1.00 0.00 H new ATOM 501 N ALA A 32 23.857 -11.792 -2.416 1.00 0.00 N ATOM 502 CA ALA A 32 24.926 -10.875 -2.769 1.00 0.00 C ATOM 503 C ALA A 32 24.399 -9.446 -2.764 1.00 0.00 C ATOM 504 O ALA A 32 25.003 -8.553 -2.168 1.00 0.00 O ATOM 505 CB ALA A 32 25.482 -11.216 -4.149 1.00 0.00 C ATOM 0 H ALA A 32 23.614 -12.470 -3.139 1.00 0.00 H new ATOM 0 HA ALA A 32 25.727 -10.968 -2.035 1.00 0.00 H new ATOM 0 HB1 ALA A 32 26.283 -10.521 -4.401 1.00 0.00 H new ATOM 0 HB2 ALA A 32 25.874 -12.233 -4.142 1.00 0.00 H new ATOM 0 HB3 ALA A 32 24.687 -11.138 -4.891 1.00 0.00 H new ATOM 511 N ALA A 33 23.252 -9.247 -3.400 1.00 0.00 N ATOM 512 CA ALA A 33 22.629 -7.932 -3.433 1.00 0.00 C ATOM 513 C ALA A 33 22.214 -7.547 -2.027 1.00 0.00 C ATOM 514 O ALA A 33 22.134 -6.369 -1.680 1.00 0.00 O ATOM 515 CB ALA A 33 21.386 -7.957 -4.327 1.00 0.00 C ATOM 0 H ALA A 33 22.738 -9.974 -3.897 1.00 0.00 H new ATOM 0 HA ALA A 33 23.342 -7.210 -3.831 1.00 0.00 H new ATOM 0 HB1 ALA A 33 20.929 -6.967 -4.343 1.00 0.00 H new ATOM 0 HB2 ALA A 33 21.672 -8.241 -5.340 1.00 0.00 H new ATOM 0 HB3 ALA A 33 20.671 -8.680 -3.935 1.00 0.00 H new ATOM 521 N GLY A 34 21.921 -8.566 -1.231 1.00 0.00 N ATOM 522 CA GLY A 34 21.478 -8.349 0.128 1.00 0.00 C ATOM 523 C GLY A 34 22.482 -7.501 0.902 1.00 0.00 C ATOM 524 O GLY A 34 22.105 -6.586 1.635 1.00 0.00 O ATOM 0 H GLY A 34 21.984 -9.546 -1.507 1.00 0.00 H new ATOM 0 HA2 GLY A 34 20.507 -7.855 0.123 1.00 0.00 H new ATOM 0 HA3 GLY A 34 21.345 -9.308 0.628 1.00 0.00 H new ATOM 528 N ARG A 35 23.762 -7.813 0.734 1.00 0.00 N ATOM 529 CA ARG A 35 24.820 -7.078 1.420 1.00 0.00 C ATOM 530 C ARG A 35 24.920 -5.657 0.886 1.00 0.00 C ATOM 531 O ARG A 35 25.101 -4.705 1.642 1.00 0.00 O ATOM 532 CB ARG A 35 26.160 -7.796 1.230 1.00 0.00 C ATOM 533 CG ARG A 35 25.948 -9.313 1.309 1.00 0.00 C ATOM 534 CD ARG A 35 25.143 -9.667 2.565 1.00 0.00 C ATOM 535 NE ARG A 35 25.387 -11.050 2.956 1.00 0.00 N ATOM 536 CZ ARG A 35 24.545 -11.691 3.760 1.00 0.00 C ATOM 537 NH1 ARG A 35 23.478 -11.084 4.206 1.00 0.00 N ATOM 538 NH2 ARG A 35 24.784 -12.927 4.106 1.00 0.00 N ATOM 0 H ARG A 35 24.092 -8.567 0.131 1.00 0.00 H new ATOM 0 HA ARG A 35 24.578 -7.035 2.482 1.00 0.00 H new ATOM 0 HB2 ARG A 35 26.593 -7.529 0.266 1.00 0.00 H new ATOM 0 HB3 ARG A 35 26.867 -7.477 1.996 1.00 0.00 H new ATOM 0 HG2 ARG A 35 25.422 -9.661 0.420 1.00 0.00 H new ATOM 0 HG3 ARG A 35 26.912 -9.822 1.329 1.00 0.00 H new ATOM 0 HD2 ARG A 35 25.418 -8.998 3.381 1.00 0.00 H new ATOM 0 HD3 ARG A 35 24.080 -9.519 2.376 1.00 0.00 H new ATOM 0 HE ARG A 35 26.215 -11.532 2.608 1.00 0.00 H new ATOM 0 HH11 ARG A 35 23.291 -10.118 3.937 1.00 0.00 H new ATOM 0 HH12 ARG A 35 22.832 -11.576 4.823 1.00 0.00 H new ATOM 0 HH21 ARG A 35 25.618 -13.402 3.759 1.00 0.00 H new ATOM 0 HH22 ARG A 35 24.137 -13.418 4.723 1.00 0.00 H new ATOM 552 N THR A 36 24.798 -5.536 -0.426 1.00 0.00 N ATOM 553 CA THR A 36 24.871 -4.241 -1.085 1.00 0.00 C ATOM 554 C THR A 36 23.719 -3.351 -0.632 1.00 0.00 C ATOM 555 O THR A 36 23.901 -2.167 -0.368 1.00 0.00 O ATOM 556 CB THR A 36 24.821 -4.456 -2.606 1.00 0.00 C ATOM 557 OG1 THR A 36 26.096 -4.883 -3.063 1.00 0.00 O ATOM 558 CG2 THR A 36 24.420 -3.167 -3.326 1.00 0.00 C ATOM 0 H THR A 36 24.647 -6.322 -1.058 1.00 0.00 H new ATOM 0 HA THR A 36 25.804 -3.744 -0.818 1.00 0.00 H new ATOM 0 HB THR A 36 24.074 -5.218 -2.827 1.00 0.00 H new ATOM 0 HG1 THR A 36 26.066 -5.022 -4.033 1.00 0.00 H new ATOM 0 HG21 THR A 36 24.392 -3.344 -4.401 1.00 0.00 H new ATOM 0 HG22 THR A 36 23.434 -2.851 -2.984 1.00 0.00 H new ATOM 0 HG23 THR A 36 25.148 -2.386 -3.106 1.00 0.00 H new ATOM 566 N LEU A 37 22.534 -3.920 -0.565 1.00 0.00 N ATOM 567 CA LEU A 37 21.369 -3.163 -0.158 1.00 0.00 C ATOM 568 C LEU A 37 21.435 -2.787 1.314 1.00 0.00 C ATOM 569 O LEU A 37 20.986 -1.717 1.724 1.00 0.00 O ATOM 570 CB LEU A 37 20.122 -3.974 -0.417 1.00 0.00 C ATOM 571 CG LEU A 37 19.910 -4.103 -1.938 1.00 0.00 C ATOM 572 CD1 LEU A 37 19.102 -5.364 -2.247 1.00 0.00 C ATOM 573 CD2 LEU A 37 19.144 -2.886 -2.479 1.00 0.00 C ATOM 0 H LEU A 37 22.352 -4.899 -0.786 1.00 0.00 H new ATOM 0 HA LEU A 37 21.344 -2.243 -0.742 1.00 0.00 H new ATOM 0 HB2 LEU A 37 20.215 -4.962 0.035 1.00 0.00 H new ATOM 0 HB3 LEU A 37 19.259 -3.493 0.043 1.00 0.00 H new ATOM 0 HG LEU A 37 20.889 -4.159 -2.414 1.00 0.00 H new ATOM 0 HD11 LEU A 37 18.956 -5.448 -3.324 1.00 0.00 H new ATOM 0 HD12 LEU A 37 19.641 -6.239 -1.884 1.00 0.00 H new ATOM 0 HD13 LEU A 37 18.132 -5.305 -1.753 1.00 0.00 H new ATOM 0 HD21 LEU A 37 19.003 -2.993 -3.554 1.00 0.00 H new ATOM 0 HD22 LEU A 37 18.172 -2.821 -1.990 1.00 0.00 H new ATOM 0 HD23 LEU A 37 19.713 -1.979 -2.277 1.00 0.00 H new ATOM 585 N LEU A 38 21.984 -3.695 2.097 1.00 0.00 N ATOM 586 CA LEU A 38 22.103 -3.500 3.533 1.00 0.00 C ATOM 587 C LEU A 38 22.894 -2.244 3.832 1.00 0.00 C ATOM 588 O LEU A 38 22.556 -1.494 4.736 1.00 0.00 O ATOM 589 CB LEU A 38 22.823 -4.717 4.128 1.00 0.00 C ATOM 590 CG LEU A 38 23.086 -4.532 5.628 1.00 0.00 C ATOM 591 CD1 LEU A 38 21.778 -4.628 6.411 1.00 0.00 C ATOM 592 CD2 LEU A 38 24.054 -5.615 6.089 1.00 0.00 C ATOM 0 H LEU A 38 22.358 -4.583 1.762 1.00 0.00 H new ATOM 0 HA LEU A 38 21.111 -3.393 3.972 1.00 0.00 H new ATOM 0 HB2 LEU A 38 22.220 -5.612 3.970 1.00 0.00 H new ATOM 0 HB3 LEU A 38 23.768 -4.873 3.608 1.00 0.00 H new ATOM 0 HG LEU A 38 23.518 -3.548 5.807 1.00 0.00 H new ATOM 0 HD11 LEU A 38 21.980 -4.495 7.474 1.00 0.00 H new ATOM 0 HD12 LEU A 38 21.093 -3.851 6.072 1.00 0.00 H new ATOM 0 HD13 LEU A 38 21.327 -5.607 6.247 1.00 0.00 H new ATOM 0 HD21 LEU A 38 24.251 -5.497 7.154 1.00 0.00 H new ATOM 0 HD22 LEU A 38 23.615 -6.596 5.908 1.00 0.00 H new ATOM 0 HD23 LEU A 38 24.989 -5.527 5.535 1.00 0.00 H new ATOM 604 N GLU A 39 23.956 -2.025 3.095 1.00 0.00 N ATOM 605 CA GLU A 39 24.772 -0.846 3.317 1.00 0.00 C ATOM 606 C GLU A 39 24.071 0.390 2.752 1.00 0.00 C ATOM 607 O GLU A 39 24.379 1.517 3.138 1.00 0.00 O ATOM 608 CB GLU A 39 26.152 -1.017 2.688 1.00 0.00 C ATOM 609 CG GLU A 39 25.985 -1.449 1.251 1.00 0.00 C ATOM 610 CD GLU A 39 27.330 -1.415 0.531 1.00 0.00 C ATOM 611 OE1 GLU A 39 28.142 -0.572 0.874 1.00 0.00 O ATOM 612 OE2 GLU A 39 27.528 -2.234 -0.352 1.00 0.00 O ATOM 0 H GLU A 39 24.276 -2.637 2.344 1.00 0.00 H new ATOM 0 HA GLU A 39 24.906 -0.712 4.390 1.00 0.00 H new ATOM 0 HB2 GLU A 39 26.707 -0.080 2.738 1.00 0.00 H new ATOM 0 HB3 GLU A 39 26.728 -1.759 3.240 1.00 0.00 H new ATOM 0 HG2 GLU A 39 25.569 -2.456 1.212 1.00 0.00 H new ATOM 0 HG3 GLU A 39 25.277 -0.792 0.746 1.00 0.00 H new ATOM 619 N PHE A 40 23.140 0.174 1.814 1.00 0.00 N ATOM 620 CA PHE A 40 22.425 1.286 1.189 1.00 0.00 C ATOM 621 C PHE A 40 21.565 2.045 2.196 1.00 0.00 C ATOM 622 O PHE A 40 21.596 3.275 2.253 1.00 0.00 O ATOM 623 CB PHE A 40 21.541 0.725 0.057 1.00 0.00 C ATOM 624 CG PHE A 40 21.780 1.460 -1.242 1.00 0.00 C ATOM 625 CD1 PHE A 40 21.788 2.857 -1.260 1.00 0.00 C ATOM 626 CD2 PHE A 40 21.994 0.737 -2.423 1.00 0.00 C ATOM 627 CE1 PHE A 40 22.011 3.539 -2.462 1.00 0.00 C ATOM 628 CE2 PHE A 40 22.219 1.418 -3.625 1.00 0.00 C ATOM 629 CZ PHE A 40 22.227 2.819 -3.645 1.00 0.00 C ATOM 0 H PHE A 40 22.869 -0.750 1.477 1.00 0.00 H new ATOM 0 HA PHE A 40 23.154 1.992 0.792 1.00 0.00 H new ATOM 0 HB2 PHE A 40 21.751 -0.336 -0.079 1.00 0.00 H new ATOM 0 HB3 PHE A 40 20.491 0.809 0.337 1.00 0.00 H new ATOM 0 HD1 PHE A 40 21.622 3.410 -0.347 1.00 0.00 H new ATOM 0 HD2 PHE A 40 21.985 -0.343 -2.406 1.00 0.00 H new ATOM 0 HE1 PHE A 40 22.017 4.619 -2.478 1.00 0.00 H new ATOM 0 HE2 PHE A 40 22.386 0.864 -4.537 1.00 0.00 H new ATOM 0 HZ PHE A 40 22.400 3.344 -4.573 1.00 0.00 H new ATOM 639 N LYS A 41 20.789 1.306 2.970 1.00 0.00 N ATOM 640 CA LYS A 41 19.911 1.920 3.948 1.00 0.00 C ATOM 641 C LYS A 41 20.722 2.648 5.009 1.00 0.00 C ATOM 642 O LYS A 41 20.315 3.693 5.516 1.00 0.00 O ATOM 643 CB LYS A 41 19.030 0.859 4.592 1.00 0.00 C ATOM 644 CG LYS A 41 19.899 -0.212 5.277 1.00 0.00 C ATOM 645 CD LYS A 41 19.719 -0.143 6.803 1.00 0.00 C ATOM 646 CE LYS A 41 20.552 -1.237 7.474 1.00 0.00 C ATOM 647 NZ LYS A 41 19.720 -2.465 7.623 1.00 0.00 N ATOM 0 H LYS A 41 20.749 0.287 2.940 1.00 0.00 H new ATOM 0 HA LYS A 41 19.277 2.648 3.442 1.00 0.00 H new ATOM 0 HB2 LYS A 41 18.367 1.322 5.323 1.00 0.00 H new ATOM 0 HB3 LYS A 41 18.397 0.395 3.836 1.00 0.00 H new ATOM 0 HG2 LYS A 41 19.622 -1.202 4.915 1.00 0.00 H new ATOM 0 HG3 LYS A 41 20.947 -0.060 5.020 1.00 0.00 H new ATOM 0 HD2 LYS A 41 20.025 0.837 7.170 1.00 0.00 H new ATOM 0 HD3 LYS A 41 18.667 -0.265 7.060 1.00 0.00 H new ATOM 0 HE2 LYS A 41 21.438 -1.454 6.877 1.00 0.00 H new ATOM 0 HE3 LYS A 41 20.900 -0.899 8.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 20.282 -3.212 8.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 18.888 -2.251 8.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 19.409 -2.789 6.685 1.00 0.00 H new ATOM 661 N SER A 42 21.876 2.086 5.334 1.00 0.00 N ATOM 662 CA SER A 42 22.753 2.679 6.328 1.00 0.00 C ATOM 663 C SER A 42 23.270 4.020 5.824 1.00 0.00 C ATOM 664 O SER A 42 23.349 4.990 6.578 1.00 0.00 O ATOM 665 CB SER A 42 23.922 1.744 6.604 1.00 0.00 C ATOM 666 OG SER A 42 23.450 0.581 7.272 1.00 0.00 O ATOM 0 H SER A 42 22.226 1.220 4.923 1.00 0.00 H new ATOM 0 HA SER A 42 22.196 2.836 7.251 1.00 0.00 H new ATOM 0 HB2 SER A 42 24.409 1.467 5.669 1.00 0.00 H new ATOM 0 HB3 SER A 42 24.670 2.249 7.215 1.00 0.00 H new ATOM 0 HG SER A 42 24.202 -0.023 7.449 1.00 0.00 H new ATOM 672 N ALA A 43 23.603 4.071 4.539 1.00 0.00 N ATOM 673 CA ALA A 43 24.090 5.305 3.934 1.00 0.00 C ATOM 674 C ALA A 43 22.954 6.316 3.827 1.00 0.00 C ATOM 675 O ALA A 43 23.139 7.503 4.081 1.00 0.00 O ATOM 676 CB ALA A 43 24.664 5.021 2.546 1.00 0.00 C ATOM 0 H ALA A 43 23.545 3.278 3.900 1.00 0.00 H new ATOM 0 HA ALA A 43 24.878 5.718 4.564 1.00 0.00 H new ATOM 0 HB1 ALA A 43 25.024 5.950 2.104 1.00 0.00 H new ATOM 0 HB2 ALA A 43 25.490 4.315 2.631 1.00 0.00 H new ATOM 0 HB3 ALA A 43 23.887 4.595 1.911 1.00 0.00 H new ATOM 682 N THR A 44 21.777 5.826 3.459 1.00 0.00 N ATOM 683 CA THR A 44 20.600 6.667 3.329 1.00 0.00 C ATOM 684 C THR A 44 20.206 7.276 4.673 1.00 0.00 C ATOM 685 O THR A 44 19.860 8.453 4.753 1.00 0.00 O ATOM 686 CB THR A 44 19.455 5.819 2.760 1.00 0.00 C ATOM 687 OG1 THR A 44 19.584 5.733 1.348 1.00 0.00 O ATOM 688 CG2 THR A 44 18.096 6.406 3.135 1.00 0.00 C ATOM 0 H THR A 44 21.615 4.842 3.244 1.00 0.00 H new ATOM 0 HA THR A 44 20.819 7.494 2.654 1.00 0.00 H new ATOM 0 HB THR A 44 19.515 4.819 3.191 1.00 0.00 H new ATOM 0 HG1 THR A 44 18.853 5.190 0.985 1.00 0.00 H new ATOM 0 HG21 THR A 44 17.304 5.784 2.718 1.00 0.00 H new ATOM 0 HG22 THR A 44 18.000 6.437 4.220 1.00 0.00 H new ATOM 0 HG23 THR A 44 18.013 7.416 2.734 1.00 0.00 H new ATOM 696 N LYS A 45 20.253 6.463 5.716 1.00 0.00 N ATOM 697 CA LYS A 45 19.885 6.922 7.046 1.00 0.00 C ATOM 698 C LYS A 45 20.683 8.165 7.405 1.00 0.00 C ATOM 699 O LYS A 45 20.221 9.013 8.160 1.00 0.00 O ATOM 700 CB LYS A 45 20.155 5.815 8.071 1.00 0.00 C ATOM 701 CG LYS A 45 20.008 6.360 9.519 1.00 0.00 C ATOM 702 CD LYS A 45 21.392 6.641 10.133 1.00 0.00 C ATOM 703 CE LYS A 45 21.978 5.351 10.717 1.00 0.00 C ATOM 704 NZ LYS A 45 21.342 5.072 12.035 1.00 0.00 N ATOM 0 H LYS A 45 20.541 5.486 5.668 1.00 0.00 H new ATOM 0 HA LYS A 45 18.823 7.167 7.057 1.00 0.00 H new ATOM 0 HB2 LYS A 45 19.459 4.990 7.915 1.00 0.00 H new ATOM 0 HB3 LYS A 45 21.159 5.416 7.927 1.00 0.00 H new ATOM 0 HG2 LYS A 45 19.415 7.274 9.511 1.00 0.00 H new ATOM 0 HG3 LYS A 45 19.471 5.637 10.133 1.00 0.00 H new ATOM 0 HD2 LYS A 45 22.062 7.043 9.372 1.00 0.00 H new ATOM 0 HD3 LYS A 45 21.306 7.397 10.913 1.00 0.00 H new ATOM 0 HE2 LYS A 45 21.806 4.519 10.034 1.00 0.00 H new ATOM 0 HE3 LYS A 45 23.057 5.449 10.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 21.882 4.335 12.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 21.334 5.940 12.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 20.366 4.746 11.887 1.00 0.00 H new ATOM 718 N SER A 46 21.883 8.265 6.864 1.00 0.00 N ATOM 719 CA SER A 46 22.733 9.410 7.141 1.00 0.00 C ATOM 720 C SER A 46 22.273 10.645 6.354 1.00 0.00 C ATOM 721 O SER A 46 22.460 11.777 6.801 1.00 0.00 O ATOM 722 CB SER A 46 24.178 9.064 6.796 1.00 0.00 C ATOM 723 OG SER A 46 24.776 8.400 7.902 1.00 0.00 O ATOM 0 H SER A 46 22.290 7.573 6.235 1.00 0.00 H new ATOM 0 HA SER A 46 22.662 9.650 8.202 1.00 0.00 H new ATOM 0 HB2 SER A 46 24.211 8.427 5.912 1.00 0.00 H new ATOM 0 HB3 SER A 46 24.734 9.970 6.556 1.00 0.00 H new ATOM 0 HG SER A 46 25.704 8.174 7.685 1.00 0.00 H new ATOM 729 N LEU A 47 21.677 10.421 5.183 1.00 0.00 N ATOM 730 CA LEU A 47 21.205 11.521 4.349 1.00 0.00 C ATOM 731 C LEU A 47 19.997 12.205 4.977 1.00 0.00 C ATOM 732 O LEU A 47 19.827 13.419 4.863 1.00 0.00 O ATOM 733 CB LEU A 47 20.826 10.997 2.972 1.00 0.00 C ATOM 734 CG LEU A 47 21.984 10.188 2.378 1.00 0.00 C ATOM 735 CD1 LEU A 47 21.566 9.627 1.017 1.00 0.00 C ATOM 736 CD2 LEU A 47 23.219 11.090 2.208 1.00 0.00 C ATOM 0 H LEU A 47 21.511 9.493 4.794 1.00 0.00 H new ATOM 0 HA LEU A 47 22.011 12.250 4.261 1.00 0.00 H new ATOM 0 HB2 LEU A 47 19.936 10.372 3.045 1.00 0.00 H new ATOM 0 HB3 LEU A 47 20.578 11.829 2.313 1.00 0.00 H new ATOM 0 HG LEU A 47 22.232 9.367 3.050 1.00 0.00 H new ATOM 0 HD11 LEU A 47 22.388 9.051 0.593 1.00 0.00 H new ATOM 0 HD12 LEU A 47 20.697 8.981 1.141 1.00 0.00 H new ATOM 0 HD13 LEU A 47 21.315 10.449 0.346 1.00 0.00 H new ATOM 0 HD21 LEU A 47 24.039 10.509 1.785 1.00 0.00 H new ATOM 0 HD22 LEU A 47 22.977 11.916 1.539 1.00 0.00 H new ATOM 0 HD23 LEU A 47 23.517 11.485 3.179 1.00 0.00 H new ATOM 748 N VAL A 48 19.156 11.413 5.630 1.00 0.00 N ATOM 749 CA VAL A 48 17.952 11.934 6.268 1.00 0.00 C ATOM 750 C VAL A 48 18.248 13.256 6.971 1.00 0.00 C ATOM 751 O VAL A 48 19.316 13.435 7.556 1.00 0.00 O ATOM 752 CB VAL A 48 17.404 10.917 7.283 1.00 0.00 C ATOM 753 CG1 VAL A 48 17.354 9.524 6.647 1.00 0.00 C ATOM 754 CG2 VAL A 48 18.292 10.898 8.547 1.00 0.00 C ATOM 0 H VAL A 48 19.285 10.406 5.732 1.00 0.00 H new ATOM 0 HA VAL A 48 17.203 12.106 5.496 1.00 0.00 H new ATOM 0 HB VAL A 48 16.394 11.209 7.572 1.00 0.00 H new ATOM 0 HG11 VAL A 48 16.965 8.807 7.370 1.00 0.00 H new ATOM 0 HG12 VAL A 48 16.703 9.546 5.773 1.00 0.00 H new ATOM 0 HG13 VAL A 48 18.358 9.226 6.345 1.00 0.00 H new ATOM 0 HG21 VAL A 48 17.895 10.175 9.259 1.00 0.00 H new ATOM 0 HG22 VAL A 48 19.309 10.617 8.273 1.00 0.00 H new ATOM 0 HG23 VAL A 48 18.299 11.889 9.002 1.00 0.00 H new ATOM 764 N SER A 49 17.295 14.176 6.905 1.00 0.00 N ATOM 765 CA SER A 49 17.467 15.480 7.535 1.00 0.00 C ATOM 766 C SER A 49 18.754 16.143 7.054 1.00 0.00 C ATOM 767 O SER A 49 19.138 17.203 7.545 1.00 0.00 O ATOM 768 CB SER A 49 17.508 15.322 9.056 1.00 0.00 C ATOM 769 OG SER A 49 17.962 16.536 9.641 1.00 0.00 O ATOM 0 H SER A 49 16.403 14.047 6.427 1.00 0.00 H new ATOM 0 HA SER A 49 16.623 16.111 7.258 1.00 0.00 H new ATOM 0 HB2 SER A 49 16.517 15.071 9.434 1.00 0.00 H new ATOM 0 HB3 SER A 49 18.171 14.502 9.330 1.00 0.00 H new ATOM 0 HG SER A 49 18.039 17.225 8.948 1.00 0.00 H new ATOM 775 N GLY A 50 19.417 15.510 6.085 1.00 0.00 N ATOM 776 CA GLY A 50 20.665 16.040 5.538 1.00 0.00 C ATOM 777 C GLY A 50 20.402 16.859 4.281 1.00 0.00 C ATOM 778 O GLY A 50 21.171 16.808 3.320 1.00 0.00 O ATOM 0 H GLY A 50 19.111 14.632 5.664 1.00 0.00 H new ATOM 0 HA2 GLY A 50 21.159 16.661 6.285 1.00 0.00 H new ATOM 0 HA3 GLY A 50 21.343 15.219 5.307 1.00 0.00 H new ATOM 782 N ASP A 51 19.309 17.615 4.296 1.00 0.00 N ATOM 783 CA ASP A 51 18.938 18.453 3.155 1.00 0.00 C ATOM 784 C ASP A 51 18.321 19.763 3.632 1.00 0.00 C ATOM 785 O ASP A 51 17.356 19.764 4.396 1.00 0.00 O ATOM 786 CB ASP A 51 17.947 17.715 2.266 1.00 0.00 C ATOM 787 CG ASP A 51 17.705 18.506 0.986 1.00 0.00 C ATOM 788 OD1 ASP A 51 18.096 19.661 0.943 1.00 0.00 O ATOM 789 OD2 ASP A 51 17.131 17.946 0.066 1.00 0.00 O ATOM 0 H ASP A 51 18.663 17.666 5.084 1.00 0.00 H new ATOM 0 HA ASP A 51 19.839 18.676 2.584 1.00 0.00 H new ATOM 0 HB2 ASP A 51 18.331 16.724 2.024 1.00 0.00 H new ATOM 0 HB3 ASP A 51 17.006 17.571 2.798 1.00 0.00 H new ATOM 794 N GLU A 52 18.886 20.877 3.177 1.00 0.00 N ATOM 795 CA GLU A 52 18.389 22.190 3.564 1.00 0.00 C ATOM 796 C GLU A 52 16.866 22.233 3.470 1.00 0.00 C ATOM 797 O GLU A 52 16.243 22.609 4.449 1.00 0.00 O ATOM 798 CB GLU A 52 18.996 23.252 2.646 1.00 0.00 C ATOM 799 CG GLU A 52 18.658 24.649 3.169 1.00 0.00 C ATOM 800 CD GLU A 52 19.424 24.924 4.459 1.00 0.00 C ATOM 801 OE1 GLU A 52 20.269 24.116 4.807 1.00 0.00 O ATOM 802 OE2 GLU A 52 19.155 25.940 5.079 1.00 0.00 O ATOM 0 H GLU A 52 19.685 20.896 2.543 1.00 0.00 H new ATOM 0 HA GLU A 52 18.678 22.389 4.596 1.00 0.00 H new ATOM 0 HB2 GLU A 52 20.077 23.125 2.595 1.00 0.00 H new ATOM 0 HB3 GLU A 52 18.613 23.131 1.633 1.00 0.00 H new ATOM 0 HG2 GLU A 52 18.912 25.398 2.419 1.00 0.00 H new ATOM 0 HG3 GLU A 52 17.586 24.729 3.349 1.00 0.00 H new TER 809 GLU A 52