USER MOD reduce.3.24.130724 H: found=0, std=0, add=421, rem=0, adj=12 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 Single : A 1 MET CE :methyl -145:sc= -0.0845 (180deg=-0.669) USER MOD Single : A 1 MET N :NH3+ -122:sc= 0.11 (180deg=-0.317) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0325) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ -177:sc= -0.701 (180deg=-0.754) USER MOD Single : A 42 SER OG : rot 90:sc= 0.0133 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0426) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot -46:sc= 1.18 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -6.760 -9.581 -19.033 1.00 0.00 N ATOM 2 CA MET A 1 -6.344 -11.001 -18.935 1.00 0.00 C ATOM 3 C MET A 1 -5.110 -11.101 -18.053 1.00 0.00 C ATOM 4 O MET A 1 -4.660 -10.109 -17.486 1.00 0.00 O ATOM 5 CB MET A 1 -6.051 -11.538 -20.328 1.00 0.00 C ATOM 6 CG MET A 1 -7.350 -11.672 -21.104 1.00 0.00 C ATOM 7 SD MET A 1 -7.009 -12.315 -22.763 1.00 0.00 S ATOM 8 CE MET A 1 -6.247 -10.824 -23.455 1.00 0.00 C ATOM 0 H1 MET A 1 -7.739 -9.482 -18.695 1.00 0.00 H new ATOM 0 H2 MET A 1 -6.131 -8.994 -18.449 1.00 0.00 H new ATOM 0 H3 MET A 1 -6.703 -9.270 -20.024 1.00 0.00 H new ATOM 0 HA MET A 1 -7.143 -11.596 -18.492 1.00 0.00 H new ATOM 0 HB2 MET A 1 -5.370 -10.867 -20.852 1.00 0.00 H new ATOM 0 HB3 MET A 1 -5.555 -12.506 -20.259 1.00 0.00 H new ATOM 0 HG2 MET A 1 -8.032 -12.340 -20.578 1.00 0.00 H new ATOM 0 HG3 MET A 1 -7.844 -10.703 -21.174 1.00 0.00 H new ATOM 0 HE1 MET A 1 -6.512 -10.735 -24.509 1.00 0.00 H new ATOM 0 HE2 MET A 1 -6.606 -9.948 -22.915 1.00 0.00 H new ATOM 0 HE3 MET A 1 -5.163 -10.891 -23.358 1.00 0.00 H new ATOM 20 N PHE A 2 -4.561 -12.303 -17.955 1.00 0.00 N ATOM 21 CA PHE A 2 -3.387 -12.548 -17.157 1.00 0.00 C ATOM 22 C PHE A 2 -3.429 -11.737 -15.854 1.00 0.00 C ATOM 23 O PHE A 2 -2.393 -11.459 -15.249 1.00 0.00 O ATOM 24 CB PHE A 2 -2.176 -12.178 -17.992 1.00 0.00 C ATOM 25 CG PHE A 2 -1.717 -13.355 -18.836 1.00 0.00 C ATOM 26 CD1 PHE A 2 -2.601 -13.953 -19.740 1.00 0.00 C ATOM 27 CD2 PHE A 2 -0.407 -13.838 -18.718 1.00 0.00 C ATOM 28 CE1 PHE A 2 -2.179 -15.035 -20.523 1.00 0.00 C ATOM 29 CE2 PHE A 2 0.016 -14.919 -19.503 1.00 0.00 C ATOM 30 CZ PHE A 2 -0.870 -15.516 -20.406 1.00 0.00 C ATOM 0 H PHE A 2 -4.923 -13.130 -18.429 1.00 0.00 H new ATOM 0 HA PHE A 2 -3.338 -13.599 -16.872 1.00 0.00 H new ATOM 0 HB2 PHE A 2 -2.419 -11.335 -18.639 1.00 0.00 H new ATOM 0 HB3 PHE A 2 -1.365 -11.855 -17.340 1.00 0.00 H new ATOM 0 HD1 PHE A 2 -3.610 -13.580 -19.834 1.00 0.00 H new ATOM 0 HD2 PHE A 2 0.277 -13.377 -18.021 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -2.864 -15.498 -21.217 1.00 0.00 H new ATOM 0 HE2 PHE A 2 1.026 -15.291 -19.411 1.00 0.00 H new ATOM 0 HZ PHE A 2 -0.544 -16.348 -21.013 1.00 0.00 H new ATOM 40 N SER A 3 -4.638 -11.364 -15.432 1.00 0.00 N ATOM 41 CA SER A 3 -4.827 -10.592 -14.200 1.00 0.00 C ATOM 42 C SER A 3 -5.711 -11.371 -13.231 1.00 0.00 C ATOM 43 O SER A 3 -5.550 -11.287 -12.013 1.00 0.00 O ATOM 44 CB SER A 3 -5.466 -9.229 -14.527 1.00 0.00 C ATOM 45 OG SER A 3 -4.672 -8.194 -13.964 1.00 0.00 O ATOM 0 H SER A 3 -5.503 -11.584 -15.925 1.00 0.00 H new ATOM 0 HA SER A 3 -3.857 -10.421 -13.732 1.00 0.00 H new ATOM 0 HB2 SER A 3 -5.542 -9.099 -15.607 1.00 0.00 H new ATOM 0 HB3 SER A 3 -6.480 -9.184 -14.128 1.00 0.00 H new ATOM 0 HG SER A 3 -5.074 -7.324 -14.171 1.00 0.00 H new ATOM 51 N ASN A 4 -6.648 -12.125 -13.791 1.00 0.00 N ATOM 52 CA ASN A 4 -7.565 -12.918 -12.989 1.00 0.00 C ATOM 53 C ASN A 4 -6.838 -14.098 -12.372 1.00 0.00 C ATOM 54 O ASN A 4 -7.348 -14.746 -11.458 1.00 0.00 O ATOM 55 CB ASN A 4 -8.730 -13.404 -13.854 1.00 0.00 C ATOM 56 CG ASN A 4 -9.743 -12.277 -14.045 1.00 0.00 C ATOM 57 OD1 ASN A 4 -10.535 -11.995 -13.147 1.00 0.00 O ATOM 58 ND2 ASN A 4 -9.755 -11.607 -15.163 1.00 0.00 N ATOM 0 H ASN A 4 -6.791 -12.203 -14.798 1.00 0.00 H new ATOM 0 HA ASN A 4 -7.959 -12.296 -12.185 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -8.360 -13.739 -14.823 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -9.211 -14.261 -13.383 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -10.422 -10.847 -15.295 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -9.097 -11.843 -15.906 1.00 0.00 H new ATOM 65 N ILE A 5 -5.647 -14.377 -12.872 1.00 0.00 N ATOM 66 CA ILE A 5 -4.873 -15.481 -12.354 1.00 0.00 C ATOM 67 C ILE A 5 -4.571 -15.273 -10.877 1.00 0.00 C ATOM 68 O ILE A 5 -4.809 -16.162 -10.061 1.00 0.00 O ATOM 69 CB ILE A 5 -3.568 -15.615 -13.150 1.00 0.00 C ATOM 70 CG1 ILE A 5 -2.811 -14.271 -13.159 1.00 0.00 C ATOM 71 CG2 ILE A 5 -3.895 -16.033 -14.580 1.00 0.00 C ATOM 72 CD1 ILE A 5 -1.660 -14.282 -14.185 1.00 0.00 C ATOM 0 H ILE A 5 -5.202 -13.858 -13.629 1.00 0.00 H new ATOM 0 HA ILE A 5 -5.452 -16.399 -12.459 1.00 0.00 H new ATOM 0 HB ILE A 5 -2.935 -16.369 -12.682 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -3.503 -13.463 -13.395 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -2.413 -14.069 -12.165 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -2.972 -16.130 -15.151 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -4.417 -16.990 -14.569 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -4.531 -15.278 -15.043 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -1.147 -13.321 -14.166 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -0.955 -15.074 -13.933 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -2.063 -14.459 -15.182 1.00 0.00 H new ATOM 84 N GLY A 6 -4.058 -14.093 -10.546 1.00 0.00 N ATOM 85 CA GLY A 6 -3.707 -13.759 -9.168 1.00 0.00 C ATOM 86 C GLY A 6 -2.227 -14.052 -8.932 1.00 0.00 C ATOM 87 O GLY A 6 -1.363 -13.502 -9.614 1.00 0.00 O ATOM 0 H GLY A 6 -3.875 -13.347 -11.217 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -3.915 -12.707 -8.974 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -4.318 -14.338 -8.476 1.00 0.00 H new ATOM 91 N ILE A 7 -1.940 -14.938 -7.976 1.00 0.00 N ATOM 92 CA ILE A 7 -0.563 -15.322 -7.664 1.00 0.00 C ATOM 93 C ILE A 7 -0.168 -16.707 -8.240 1.00 0.00 C ATOM 94 O ILE A 7 1.021 -16.981 -8.394 1.00 0.00 O ATOM 95 CB ILE A 7 -0.373 -15.292 -6.142 1.00 0.00 C ATOM 96 CG1 ILE A 7 1.106 -15.509 -5.796 1.00 0.00 C ATOM 97 CG2 ILE A 7 -1.230 -16.363 -5.457 1.00 0.00 C ATOM 98 CD1 ILE A 7 1.968 -14.366 -6.351 1.00 0.00 C ATOM 0 H ILE A 7 -2.645 -15.403 -7.404 1.00 0.00 H new ATOM 0 HA ILE A 7 0.100 -14.602 -8.144 1.00 0.00 H new ATOM 0 HB ILE A 7 -0.692 -14.315 -5.779 1.00 0.00 H new ATOM 0 HG12 ILE A 7 1.226 -15.569 -4.714 1.00 0.00 H new ATOM 0 HG13 ILE A 7 1.445 -16.460 -6.208 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -1.075 -16.318 -4.379 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -2.282 -16.185 -5.680 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -0.943 -17.348 -5.824 1.00 0.00 H new ATOM 0 HD11 ILE A 7 3.013 -14.540 -6.094 1.00 0.00 H new ATOM 0 HD12 ILE A 7 1.863 -14.325 -7.435 1.00 0.00 H new ATOM 0 HD13 ILE A 7 1.641 -13.421 -5.918 1.00 0.00 H new ATOM 110 N PRO A 8 -1.101 -17.590 -8.554 1.00 0.00 N ATOM 111 CA PRO A 8 -0.752 -18.942 -9.089 1.00 0.00 C ATOM 112 C PRO A 8 -0.179 -18.874 -10.501 1.00 0.00 C ATOM 113 O PRO A 8 0.646 -19.703 -10.886 1.00 0.00 O ATOM 114 CB PRO A 8 -2.076 -19.716 -9.034 1.00 0.00 C ATOM 115 CG PRO A 8 -3.138 -18.674 -9.108 1.00 0.00 C ATOM 116 CD PRO A 8 -2.557 -17.411 -8.467 1.00 0.00 C ATOM 0 HA PRO A 8 0.033 -19.426 -8.509 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -2.156 -20.420 -9.862 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -2.156 -20.296 -8.114 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -3.425 -18.486 -10.143 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -4.036 -18.998 -8.582 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -2.879 -16.514 -8.996 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -2.883 -17.305 -7.432 1.00 0.00 H new ATOM 124 N GLY A 9 -0.609 -17.877 -11.260 1.00 0.00 N ATOM 125 CA GLY A 9 -0.119 -17.707 -12.616 1.00 0.00 C ATOM 126 C GLY A 9 1.313 -17.187 -12.603 1.00 0.00 C ATOM 127 O GLY A 9 2.069 -17.391 -13.552 1.00 0.00 O ATOM 0 H GLY A 9 -1.291 -17.180 -10.962 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -0.162 -18.658 -13.147 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -0.760 -17.011 -13.156 1.00 0.00 H new ATOM 131 N LEU A 10 1.674 -16.506 -11.520 1.00 0.00 N ATOM 132 CA LEU A 10 3.012 -15.950 -11.394 1.00 0.00 C ATOM 133 C LEU A 10 4.056 -17.058 -11.378 1.00 0.00 C ATOM 134 O LEU A 10 5.112 -16.930 -11.991 1.00 0.00 O ATOM 135 CB LEU A 10 3.119 -15.110 -10.119 1.00 0.00 C ATOM 136 CG LEU A 10 4.514 -14.423 -10.036 1.00 0.00 C ATOM 137 CD1 LEU A 10 4.378 -13.023 -9.426 1.00 0.00 C ATOM 138 CD2 LEU A 10 5.467 -15.247 -9.158 1.00 0.00 C ATOM 0 H LEU A 10 1.062 -16.328 -10.724 1.00 0.00 H new ATOM 0 HA LEU A 10 3.199 -15.310 -12.257 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.333 -14.355 -10.107 1.00 0.00 H new ATOM 0 HB3 LEU A 10 2.966 -15.743 -9.245 1.00 0.00 H new ATOM 0 HG LEU A 10 4.915 -14.352 -11.047 1.00 0.00 H new ATOM 0 HD11 LEU A 10 5.360 -12.552 -9.373 1.00 0.00 H new ATOM 0 HD12 LEU A 10 3.718 -12.418 -10.048 1.00 0.00 H new ATOM 0 HD13 LEU A 10 3.959 -13.102 -8.423 1.00 0.00 H new ATOM 0 HD21 LEU A 10 6.437 -14.753 -9.111 1.00 0.00 H new ATOM 0 HD22 LEU A 10 5.054 -15.332 -8.153 1.00 0.00 H new ATOM 0 HD23 LEU A 10 5.587 -16.242 -9.586 1.00 0.00 H new ATOM 150 N ILE A 11 3.756 -18.139 -10.667 1.00 0.00 N ATOM 151 CA ILE A 11 4.685 -19.258 -10.564 1.00 0.00 C ATOM 152 C ILE A 11 4.964 -19.849 -11.937 1.00 0.00 C ATOM 153 O ILE A 11 6.112 -20.115 -12.260 1.00 0.00 O ATOM 154 CB ILE A 11 4.096 -20.331 -9.617 1.00 0.00 C ATOM 155 CG1 ILE A 11 4.331 -19.930 -8.150 1.00 0.00 C ATOM 156 CG2 ILE A 11 4.745 -21.699 -9.873 1.00 0.00 C ATOM 157 CD1 ILE A 11 3.926 -18.473 -7.922 1.00 0.00 C ATOM 0 H ILE A 11 2.882 -18.264 -10.156 1.00 0.00 H new ATOM 0 HA ILE A 11 5.630 -18.902 -10.154 1.00 0.00 H new ATOM 0 HB ILE A 11 3.026 -20.402 -9.813 1.00 0.00 H new ATOM 0 HG12 ILE A 11 3.755 -20.581 -7.492 1.00 0.00 H new ATOM 0 HG13 ILE A 11 5.382 -20.066 -7.893 1.00 0.00 H new ATOM 0 HG21 ILE A 11 4.316 -22.438 -9.196 1.00 0.00 H new ATOM 0 HG22 ILE A 11 4.562 -22.002 -10.904 1.00 0.00 H new ATOM 0 HG23 ILE A 11 5.819 -21.630 -9.701 1.00 0.00 H new ATOM 0 HD11 ILE A 11 4.099 -18.206 -6.879 1.00 0.00 H new ATOM 0 HD12 ILE A 11 4.521 -17.825 -8.566 1.00 0.00 H new ATOM 0 HD13 ILE A 11 2.869 -18.348 -8.158 1.00 0.00 H new ATOM 169 N LEU A 12 3.933 -20.039 -12.741 1.00 0.00 N ATOM 170 CA LEU A 12 4.119 -20.600 -14.066 1.00 0.00 C ATOM 171 C LEU A 12 5.057 -19.710 -14.868 1.00 0.00 C ATOM 172 O LEU A 12 5.980 -20.203 -15.506 1.00 0.00 O ATOM 173 CB LEU A 12 2.766 -20.695 -14.758 1.00 0.00 C ATOM 174 CG LEU A 12 2.901 -21.364 -16.132 1.00 0.00 C ATOM 175 CD1 LEU A 12 3.362 -22.823 -15.970 1.00 0.00 C ATOM 176 CD2 LEU A 12 1.538 -21.322 -16.833 1.00 0.00 C ATOM 0 H LEU A 12 2.967 -19.815 -12.502 1.00 0.00 H new ATOM 0 HA LEU A 12 4.557 -21.595 -13.991 1.00 0.00 H new ATOM 0 HB2 LEU A 12 2.075 -21.265 -14.138 1.00 0.00 H new ATOM 0 HB3 LEU A 12 2.342 -19.698 -14.874 1.00 0.00 H new ATOM 0 HG LEU A 12 3.643 -20.833 -16.728 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.454 -23.287 -16.952 1.00 0.00 H new ATOM 0 HD12 LEU A 12 4.328 -22.845 -15.466 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.631 -23.372 -15.377 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.618 -21.794 -17.812 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.803 -21.856 -16.231 1.00 0.00 H new ATOM 0 HD23 LEU A 12 1.223 -20.286 -16.955 1.00 0.00 H new ATOM 188 N ILE A 13 4.833 -18.404 -14.798 1.00 0.00 N ATOM 189 CA ILE A 13 5.686 -17.441 -15.495 1.00 0.00 C ATOM 190 C ILE A 13 7.083 -17.449 -14.909 1.00 0.00 C ATOM 191 O ILE A 13 8.077 -17.355 -15.632 1.00 0.00 O ATOM 192 CB ILE A 13 5.087 -16.027 -15.380 1.00 0.00 C ATOM 193 CG1 ILE A 13 3.951 -15.872 -16.400 1.00 0.00 C ATOM 194 CG2 ILE A 13 6.170 -14.963 -15.638 1.00 0.00 C ATOM 195 CD1 ILE A 13 3.145 -14.611 -16.088 1.00 0.00 C ATOM 0 H ILE A 13 4.070 -17.984 -14.267 1.00 0.00 H new ATOM 0 HA ILE A 13 5.742 -17.726 -16.546 1.00 0.00 H new ATOM 0 HB ILE A 13 4.696 -15.887 -14.372 1.00 0.00 H new ATOM 0 HG12 ILE A 13 4.361 -15.813 -17.408 1.00 0.00 H new ATOM 0 HG13 ILE A 13 3.301 -16.747 -16.371 1.00 0.00 H new ATOM 0 HG21 ILE A 13 5.731 -13.969 -15.553 1.00 0.00 H new ATOM 0 HG22 ILE A 13 6.968 -15.071 -14.904 1.00 0.00 H new ATOM 0 HG23 ILE A 13 6.578 -15.095 -16.640 1.00 0.00 H new ATOM 0 HD11 ILE A 13 2.340 -14.505 -16.815 1.00 0.00 H new ATOM 0 HD12 ILE A 13 2.722 -14.688 -15.086 1.00 0.00 H new ATOM 0 HD13 ILE A 13 3.798 -13.740 -16.140 1.00 0.00 H new ATOM 207 N PHE A 14 7.148 -17.510 -13.598 1.00 0.00 N ATOM 208 CA PHE A 14 8.415 -17.470 -12.918 1.00 0.00 C ATOM 209 C PHE A 14 9.312 -18.591 -13.423 1.00 0.00 C ATOM 210 O PHE A 14 10.504 -18.391 -13.652 1.00 0.00 O ATOM 211 CB PHE A 14 8.178 -17.594 -11.414 1.00 0.00 C ATOM 212 CG PHE A 14 9.303 -16.944 -10.641 1.00 0.00 C ATOM 213 CD1 PHE A 14 9.522 -15.565 -10.763 1.00 0.00 C ATOM 214 CD2 PHE A 14 10.121 -17.712 -9.808 1.00 0.00 C ATOM 215 CE1 PHE A 14 10.562 -14.956 -10.053 1.00 0.00 C ATOM 216 CE2 PHE A 14 11.161 -17.102 -9.096 1.00 0.00 C ATOM 217 CZ PHE A 14 11.381 -15.724 -9.220 1.00 0.00 C ATOM 0 H PHE A 14 6.336 -17.587 -12.985 1.00 0.00 H new ATOM 0 HA PHE A 14 8.915 -16.523 -13.120 1.00 0.00 H new ATOM 0 HB2 PHE A 14 7.230 -17.125 -11.150 1.00 0.00 H new ATOM 0 HB3 PHE A 14 8.101 -18.646 -11.138 1.00 0.00 H new ATOM 0 HD1 PHE A 14 8.888 -14.972 -11.405 1.00 0.00 H new ATOM 0 HD2 PHE A 14 9.951 -18.774 -9.714 1.00 0.00 H new ATOM 0 HE1 PHE A 14 10.732 -13.894 -10.148 1.00 0.00 H new ATOM 0 HE2 PHE A 14 11.794 -17.694 -8.451 1.00 0.00 H new ATOM 0 HZ PHE A 14 12.184 -15.254 -8.671 1.00 0.00 H new ATOM 227 N VAL A 15 8.721 -19.764 -13.599 1.00 0.00 N ATOM 228 CA VAL A 15 9.461 -20.923 -14.079 1.00 0.00 C ATOM 229 C VAL A 15 10.096 -20.617 -15.431 1.00 0.00 C ATOM 230 O VAL A 15 11.252 -20.959 -15.679 1.00 0.00 O ATOM 231 CB VAL A 15 8.515 -22.117 -14.218 1.00 0.00 C ATOM 232 CG1 VAL A 15 9.348 -23.389 -14.439 1.00 0.00 C ATOM 233 CG2 VAL A 15 7.642 -22.253 -12.941 1.00 0.00 C ATOM 0 H VAL A 15 7.733 -19.939 -13.417 1.00 0.00 H new ATOM 0 HA VAL A 15 10.247 -21.162 -13.362 1.00 0.00 H new ATOM 0 HB VAL A 15 7.852 -21.968 -15.070 1.00 0.00 H new ATOM 0 HG11 VAL A 15 8.683 -24.247 -14.539 1.00 0.00 H new ATOM 0 HG12 VAL A 15 9.942 -23.282 -15.347 1.00 0.00 H new ATOM 0 HG13 VAL A 15 10.011 -23.542 -13.588 1.00 0.00 H new ATOM 0 HG21 VAL A 15 6.971 -23.105 -13.048 1.00 0.00 H new ATOM 0 HG22 VAL A 15 8.286 -22.404 -12.075 1.00 0.00 H new ATOM 0 HG23 VAL A 15 7.055 -21.345 -12.803 1.00 0.00 H new ATOM 243 N ILE A 16 9.332 -19.961 -16.293 1.00 0.00 N ATOM 244 CA ILE A 16 9.826 -19.592 -17.622 1.00 0.00 C ATOM 245 C ILE A 16 11.145 -18.863 -17.497 1.00 0.00 C ATOM 246 O ILE A 16 11.982 -18.906 -18.389 1.00 0.00 O ATOM 247 CB ILE A 16 8.831 -18.696 -18.339 1.00 0.00 C ATOM 248 CG1 ILE A 16 7.450 -19.340 -18.283 1.00 0.00 C ATOM 249 CG2 ILE A 16 9.264 -18.503 -19.793 1.00 0.00 C ATOM 250 CD1 ILE A 16 7.484 -20.764 -18.856 1.00 0.00 C ATOM 0 H ILE A 16 8.372 -19.672 -16.102 1.00 0.00 H new ATOM 0 HA ILE A 16 9.960 -20.507 -18.199 1.00 0.00 H new ATOM 0 HB ILE A 16 8.795 -17.721 -17.853 1.00 0.00 H new ATOM 0 HG12 ILE A 16 7.099 -19.367 -17.251 1.00 0.00 H new ATOM 0 HG13 ILE A 16 6.739 -18.735 -18.845 1.00 0.00 H new ATOM 0 HG21 ILE A 16 8.547 -17.860 -20.304 1.00 0.00 H new ATOM 0 HG22 ILE A 16 10.251 -18.041 -19.820 1.00 0.00 H new ATOM 0 HG23 ILE A 16 9.303 -19.471 -20.293 1.00 0.00 H new ATOM 0 HD11 ILE A 16 6.487 -21.201 -18.804 1.00 0.00 H new ATOM 0 HD12 ILE A 16 7.812 -20.730 -19.895 1.00 0.00 H new ATOM 0 HD13 ILE A 16 8.177 -21.373 -18.276 1.00 0.00 H new ATOM 262 N ALA A 17 11.308 -18.175 -16.387 1.00 0.00 N ATOM 263 CA ALA A 17 12.537 -17.438 -16.124 1.00 0.00 C ATOM 264 C ALA A 17 13.586 -18.389 -15.530 1.00 0.00 C ATOM 265 O ALA A 17 14.771 -18.267 -15.797 1.00 0.00 O ATOM 266 CB ALA A 17 12.239 -16.280 -15.150 1.00 0.00 C ATOM 0 H ALA A 17 10.608 -18.107 -15.649 1.00 0.00 H new ATOM 0 HA ALA A 17 12.929 -17.023 -17.053 1.00 0.00 H new ATOM 0 HB1 ALA A 17 13.157 -15.727 -14.951 1.00 0.00 H new ATOM 0 HB2 ALA A 17 11.501 -15.612 -15.594 1.00 0.00 H new ATOM 0 HB3 ALA A 17 11.848 -16.682 -14.215 1.00 0.00 H new ATOM 272 N LEU A 18 13.136 -19.332 -14.718 1.00 0.00 N ATOM 273 CA LEU A 18 14.042 -20.277 -14.086 1.00 0.00 C ATOM 274 C LEU A 18 14.721 -21.175 -15.101 1.00 0.00 C ATOM 275 O LEU A 18 15.911 -21.462 -14.990 1.00 0.00 O ATOM 276 CB LEU A 18 13.273 -21.141 -13.092 1.00 0.00 C ATOM 277 CG LEU A 18 12.646 -20.295 -11.966 1.00 0.00 C ATOM 278 CD1 LEU A 18 12.280 -21.206 -10.807 1.00 0.00 C ATOM 279 CD2 LEU A 18 13.616 -19.235 -11.463 1.00 0.00 C ATOM 0 H LEU A 18 12.152 -19.463 -14.482 1.00 0.00 H new ATOM 0 HA LEU A 18 14.812 -19.700 -13.573 1.00 0.00 H new ATOM 0 HB2 LEU A 18 12.489 -21.688 -13.616 1.00 0.00 H new ATOM 0 HB3 LEU A 18 13.944 -21.883 -12.659 1.00 0.00 H new ATOM 0 HG LEU A 18 11.762 -19.797 -12.366 1.00 0.00 H new ATOM 0 HD11 LEU A 18 11.836 -20.615 -10.006 1.00 0.00 H new ATOM 0 HD12 LEU A 18 11.564 -21.955 -11.145 1.00 0.00 H new ATOM 0 HD13 LEU A 18 13.177 -21.702 -10.437 1.00 0.00 H new ATOM 0 HD21 LEU A 18 13.143 -18.656 -10.670 1.00 0.00 H new ATOM 0 HD22 LEU A 18 14.513 -19.718 -11.075 1.00 0.00 H new ATOM 0 HD23 LEU A 18 13.888 -18.571 -12.284 1.00 0.00 H new ATOM 291 N ILE A 19 13.964 -21.629 -16.078 1.00 0.00 N ATOM 292 CA ILE A 19 14.521 -22.508 -17.085 1.00 0.00 C ATOM 293 C ILE A 19 15.690 -21.819 -17.787 1.00 0.00 C ATOM 294 O ILE A 19 16.727 -22.434 -18.039 1.00 0.00 O ATOM 295 CB ILE A 19 13.429 -22.876 -18.088 1.00 0.00 C ATOM 296 CG1 ILE A 19 13.934 -23.959 -19.045 1.00 0.00 C ATOM 297 CG2 ILE A 19 13.031 -21.633 -18.883 1.00 0.00 C ATOM 298 CD1 ILE A 19 14.196 -25.268 -18.286 1.00 0.00 C ATOM 0 H ILE A 19 12.975 -21.408 -16.196 1.00 0.00 H new ATOM 0 HA ILE A 19 14.894 -23.419 -16.616 1.00 0.00 H new ATOM 0 HB ILE A 19 12.563 -23.259 -17.548 1.00 0.00 H new ATOM 0 HG12 ILE A 19 13.199 -24.129 -19.832 1.00 0.00 H new ATOM 0 HG13 ILE A 19 14.850 -23.624 -19.532 1.00 0.00 H new ATOM 0 HG21 ILE A 19 12.252 -21.893 -19.599 1.00 0.00 H new ATOM 0 HG22 ILE A 19 12.657 -20.869 -18.201 1.00 0.00 H new ATOM 0 HG23 ILE A 19 13.900 -21.248 -19.416 1.00 0.00 H new ATOM 0 HD11 ILE A 19 14.554 -26.027 -18.982 1.00 0.00 H new ATOM 0 HD12 ILE A 19 14.948 -25.098 -17.516 1.00 0.00 H new ATOM 0 HD13 ILE A 19 13.272 -25.610 -17.821 1.00 0.00 H new ATOM 310 N ILE A 20 15.520 -20.534 -18.083 1.00 0.00 N ATOM 311 CA ILE A 20 16.570 -19.758 -18.735 1.00 0.00 C ATOM 312 C ILE A 20 17.587 -19.242 -17.712 1.00 0.00 C ATOM 313 O ILE A 20 18.785 -19.216 -17.988 1.00 0.00 O ATOM 314 CB ILE A 20 15.963 -18.596 -19.519 1.00 0.00 C ATOM 315 CG1 ILE A 20 17.100 -17.725 -20.125 1.00 0.00 C ATOM 316 CG2 ILE A 20 15.043 -17.790 -18.609 1.00 0.00 C ATOM 317 CD1 ILE A 20 17.293 -16.421 -19.344 1.00 0.00 C ATOM 0 H ILE A 20 14.668 -20.009 -17.883 1.00 0.00 H new ATOM 0 HA ILE A 20 17.094 -20.413 -19.431 1.00 0.00 H new ATOM 0 HB ILE A 20 15.361 -18.972 -20.346 1.00 0.00 H new ATOM 0 HG12 ILE A 20 18.032 -18.291 -20.124 1.00 0.00 H new ATOM 0 HG13 ILE A 20 16.868 -17.495 -21.165 1.00 0.00 H new ATOM 0 HG21 ILE A 20 14.611 -16.961 -19.170 1.00 0.00 H new ATOM 0 HG22 ILE A 20 14.244 -18.432 -18.238 1.00 0.00 H new ATOM 0 HG23 ILE A 20 15.615 -17.399 -17.767 1.00 0.00 H new ATOM 0 HD11 ILE A 20 18.096 -15.840 -19.798 1.00 0.00 H new ATOM 0 HD12 ILE A 20 16.369 -15.843 -19.367 1.00 0.00 H new ATOM 0 HD13 ILE A 20 17.551 -16.651 -18.310 1.00 0.00 H new ATOM 329 N PHE A 21 17.111 -18.833 -16.527 1.00 0.00 N ATOM 330 CA PHE A 21 18.006 -18.328 -15.486 1.00 0.00 C ATOM 331 C PHE A 21 18.413 -19.448 -14.524 1.00 0.00 C ATOM 332 O PHE A 21 19.560 -19.898 -14.548 1.00 0.00 O ATOM 333 CB PHE A 21 17.347 -17.180 -14.711 1.00 0.00 C ATOM 334 CG PHE A 21 17.143 -15.995 -15.638 1.00 0.00 C ATOM 335 CD1 PHE A 21 18.249 -15.353 -16.218 1.00 0.00 C ATOM 336 CD2 PHE A 21 15.846 -15.548 -15.937 1.00 0.00 C ATOM 337 CE1 PHE A 21 18.055 -14.272 -17.088 1.00 0.00 C ATOM 338 CE2 PHE A 21 15.657 -14.472 -16.808 1.00 0.00 C ATOM 339 CZ PHE A 21 16.760 -13.834 -17.383 1.00 0.00 C ATOM 0 H PHE A 21 16.124 -18.843 -16.271 1.00 0.00 H new ATOM 0 HA PHE A 21 18.904 -17.948 -15.974 1.00 0.00 H new ATOM 0 HB2 PHE A 21 16.390 -17.505 -14.303 1.00 0.00 H new ATOM 0 HB3 PHE A 21 17.972 -16.891 -13.866 1.00 0.00 H new ATOM 0 HD1 PHE A 21 19.249 -15.693 -15.993 1.00 0.00 H new ATOM 0 HD2 PHE A 21 14.992 -16.037 -15.492 1.00 0.00 H new ATOM 0 HE1 PHE A 21 18.906 -13.777 -17.531 1.00 0.00 H new ATOM 0 HE2 PHE A 21 14.658 -14.133 -17.037 1.00 0.00 H new ATOM 0 HZ PHE A 21 16.612 -13.002 -18.056 1.00 0.00 H new ATOM 349 N GLY A 22 17.476 -19.912 -13.684 1.00 0.00 N ATOM 350 CA GLY A 22 17.763 -20.989 -12.735 1.00 0.00 C ATOM 351 C GLY A 22 17.450 -20.540 -11.302 1.00 0.00 C ATOM 352 O GLY A 22 17.709 -19.390 -10.943 1.00 0.00 O ATOM 0 H GLY A 22 16.520 -19.559 -13.645 1.00 0.00 H new ATOM 0 HA2 GLY A 22 17.170 -21.869 -12.984 1.00 0.00 H new ATOM 0 HA3 GLY A 22 18.811 -21.279 -12.811 1.00 0.00 H new ATOM 356 N PRO A 23 16.902 -21.407 -10.480 1.00 0.00 N ATOM 357 CA PRO A 23 16.555 -21.065 -9.066 1.00 0.00 C ATOM 358 C PRO A 23 17.792 -20.888 -8.196 1.00 0.00 C ATOM 359 O PRO A 23 17.720 -20.320 -7.110 1.00 0.00 O ATOM 360 CB PRO A 23 15.714 -22.263 -8.602 1.00 0.00 C ATOM 361 CG PRO A 23 16.203 -23.398 -9.434 1.00 0.00 C ATOM 362 CD PRO A 23 16.558 -22.805 -10.792 1.00 0.00 C ATOM 0 HA PRO A 23 16.026 -20.115 -8.989 1.00 0.00 H new ATOM 0 HB2 PRO A 23 15.854 -22.460 -7.539 1.00 0.00 H new ATOM 0 HB3 PRO A 23 14.650 -22.086 -8.756 1.00 0.00 H new ATOM 0 HG2 PRO A 23 17.072 -23.871 -8.976 1.00 0.00 H new ATOM 0 HG3 PRO A 23 15.437 -24.167 -9.533 1.00 0.00 H new ATOM 0 HD2 PRO A 23 17.394 -23.331 -11.253 1.00 0.00 H new ATOM 0 HD3 PRO A 23 15.721 -22.866 -11.488 1.00 0.00 H new ATOM 370 N SER A 24 18.924 -21.387 -8.681 1.00 0.00 N ATOM 371 CA SER A 24 20.181 -21.291 -7.945 1.00 0.00 C ATOM 372 C SER A 24 20.984 -20.083 -8.410 1.00 0.00 C ATOM 373 O SER A 24 22.023 -19.759 -7.838 1.00 0.00 O ATOM 374 CB SER A 24 20.985 -22.575 -8.144 1.00 0.00 C ATOM 375 OG SER A 24 20.491 -23.575 -7.262 1.00 0.00 O ATOM 0 H SER A 24 18.998 -21.862 -9.581 1.00 0.00 H new ATOM 0 HA SER A 24 19.964 -21.163 -6.884 1.00 0.00 H new ATOM 0 HB2 SER A 24 20.905 -22.912 -9.177 1.00 0.00 H new ATOM 0 HB3 SER A 24 22.042 -22.391 -7.950 1.00 0.00 H new ATOM 0 HG SER A 24 21.002 -24.402 -7.386 1.00 0.00 H new ATOM 381 N LYS A 25 20.493 -19.420 -9.455 1.00 0.00 N ATOM 382 CA LYS A 25 21.164 -18.247 -10.000 1.00 0.00 C ATOM 383 C LYS A 25 20.519 -16.954 -9.503 1.00 0.00 C ATOM 384 O LYS A 25 21.160 -15.903 -9.482 1.00 0.00 O ATOM 385 CB LYS A 25 21.102 -18.310 -11.523 1.00 0.00 C ATOM 386 CG LYS A 25 22.096 -19.367 -12.044 1.00 0.00 C ATOM 387 CD LYS A 25 23.500 -18.751 -12.215 1.00 0.00 C ATOM 388 CE LYS A 25 23.630 -18.124 -13.606 1.00 0.00 C ATOM 389 NZ LYS A 25 23.889 -19.196 -14.610 1.00 0.00 N ATOM 0 H LYS A 25 19.633 -19.677 -9.940 1.00 0.00 H new ATOM 0 HA LYS A 25 22.201 -18.247 -9.664 1.00 0.00 H new ATOM 0 HB2 LYS A 25 20.091 -18.559 -11.845 1.00 0.00 H new ATOM 0 HB3 LYS A 25 21.340 -17.334 -11.946 1.00 0.00 H new ATOM 0 HG2 LYS A 25 22.142 -20.205 -11.349 1.00 0.00 H new ATOM 0 HG3 LYS A 25 21.748 -19.763 -12.998 1.00 0.00 H new ATOM 0 HD2 LYS A 25 23.670 -17.995 -11.449 1.00 0.00 H new ATOM 0 HD3 LYS A 25 24.262 -19.519 -12.080 1.00 0.00 H new ATOM 0 HE2 LYS A 25 22.718 -17.585 -13.861 1.00 0.00 H new ATOM 0 HE3 LYS A 25 24.443 -17.398 -13.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 24.145 -18.764 -15.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 24.670 -19.798 -14.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 23.033 -19.774 -14.729 1.00 0.00 H new ATOM 403 N LEU A 26 19.254 -17.034 -9.103 1.00 0.00 N ATOM 404 CA LEU A 26 18.547 -15.855 -8.609 1.00 0.00 C ATOM 405 C LEU A 26 18.997 -15.537 -7.178 1.00 0.00 C ATOM 406 O LEU A 26 19.310 -14.388 -6.861 1.00 0.00 O ATOM 407 CB LEU A 26 17.013 -16.093 -8.675 1.00 0.00 C ATOM 408 CG LEU A 26 16.317 -15.025 -9.521 1.00 0.00 C ATOM 409 CD1 LEU A 26 16.570 -15.302 -10.999 1.00 0.00 C ATOM 410 CD2 LEU A 26 14.808 -15.057 -9.252 1.00 0.00 C ATOM 0 H LEU A 26 18.702 -17.891 -9.110 1.00 0.00 H new ATOM 0 HA LEU A 26 18.786 -14.998 -9.238 1.00 0.00 H new ATOM 0 HB2 LEU A 26 16.814 -17.079 -9.096 1.00 0.00 H new ATOM 0 HB3 LEU A 26 16.599 -16.087 -7.667 1.00 0.00 H new ATOM 0 HG LEU A 26 16.713 -14.044 -9.259 1.00 0.00 H new ATOM 0 HD11 LEU A 26 16.074 -14.541 -11.602 1.00 0.00 H new ATOM 0 HD12 LEU A 26 17.642 -15.279 -11.195 1.00 0.00 H new ATOM 0 HD13 LEU A 26 16.175 -16.284 -11.258 1.00 0.00 H new ATOM 0 HD21 LEU A 26 14.315 -14.295 -9.856 1.00 0.00 H new ATOM 0 HD22 LEU A 26 14.413 -16.039 -9.512 1.00 0.00 H new ATOM 0 HD23 LEU A 26 14.622 -14.860 -8.196 1.00 0.00 H new ATOM 422 N PRO A 27 19.042 -16.525 -6.318 1.00 0.00 N ATOM 423 CA PRO A 27 19.472 -16.337 -4.901 1.00 0.00 C ATOM 424 C PRO A 27 20.868 -15.717 -4.818 1.00 0.00 C ATOM 425 O PRO A 27 21.138 -14.871 -3.967 1.00 0.00 O ATOM 426 CB PRO A 27 19.458 -17.757 -4.315 1.00 0.00 C ATOM 427 CG PRO A 27 18.566 -18.550 -5.210 1.00 0.00 C ATOM 428 CD PRO A 27 18.693 -17.925 -6.599 1.00 0.00 C ATOM 0 HA PRO A 27 18.820 -15.654 -4.357 1.00 0.00 H new ATOM 0 HB2 PRO A 27 20.462 -18.180 -4.287 1.00 0.00 H new ATOM 0 HB3 PRO A 27 19.085 -17.755 -3.291 1.00 0.00 H new ATOM 0 HG2 PRO A 27 18.863 -19.599 -5.226 1.00 0.00 H new ATOM 0 HG3 PRO A 27 17.534 -18.516 -4.861 1.00 0.00 H new ATOM 0 HD2 PRO A 27 19.463 -18.419 -7.192 1.00 0.00 H new ATOM 0 HD3 PRO A 27 17.761 -18.001 -7.160 1.00 0.00 H new ATOM 436 N GLU A 28 21.746 -16.153 -5.716 1.00 0.00 N ATOM 437 CA GLU A 28 23.113 -15.649 -5.752 1.00 0.00 C ATOM 438 C GLU A 28 23.126 -14.157 -6.044 1.00 0.00 C ATOM 439 O GLU A 28 23.867 -13.395 -5.422 1.00 0.00 O ATOM 440 CB GLU A 28 23.906 -16.412 -6.818 1.00 0.00 C ATOM 441 CG GLU A 28 25.322 -15.858 -6.895 1.00 0.00 C ATOM 442 CD GLU A 28 26.162 -16.682 -7.867 1.00 0.00 C ATOM 443 OE1 GLU A 28 25.734 -17.770 -8.213 1.00 0.00 O ATOM 444 OE2 GLU A 28 27.222 -16.212 -8.250 1.00 0.00 O ATOM 0 H GLU A 28 21.535 -16.853 -6.427 1.00 0.00 H new ATOM 0 HA GLU A 28 23.578 -15.804 -4.778 1.00 0.00 H new ATOM 0 HB2 GLU A 28 23.933 -17.474 -6.575 1.00 0.00 H new ATOM 0 HB3 GLU A 28 23.415 -16.319 -7.787 1.00 0.00 H new ATOM 0 HG2 GLU A 28 25.295 -14.818 -7.219 1.00 0.00 H new ATOM 0 HG3 GLU A 28 25.780 -15.873 -5.906 1.00 0.00 H new ATOM 451 N ILE A 29 22.301 -13.748 -6.992 1.00 0.00 N ATOM 452 CA ILE A 29 22.214 -12.343 -7.366 1.00 0.00 C ATOM 453 C ILE A 29 21.661 -11.521 -6.207 1.00 0.00 C ATOM 454 O ILE A 29 22.162 -10.437 -5.907 1.00 0.00 O ATOM 455 CB ILE A 29 21.301 -12.191 -8.581 1.00 0.00 C ATOM 456 CG1 ILE A 29 21.957 -12.853 -9.785 1.00 0.00 C ATOM 457 CG2 ILE A 29 21.079 -10.708 -8.879 1.00 0.00 C ATOM 458 CD1 ILE A 29 20.944 -12.969 -10.925 1.00 0.00 C ATOM 0 H ILE A 29 21.682 -14.366 -7.517 1.00 0.00 H new ATOM 0 HA ILE A 29 23.213 -11.982 -7.612 1.00 0.00 H new ATOM 0 HB ILE A 29 20.341 -12.664 -8.374 1.00 0.00 H new ATOM 0 HG12 ILE A 29 22.818 -12.269 -10.109 1.00 0.00 H new ATOM 0 HG13 ILE A 29 22.327 -13.841 -9.512 1.00 0.00 H new ATOM 0 HG21 ILE A 29 20.427 -10.605 -9.746 1.00 0.00 H new ATOM 0 HG22 ILE A 29 20.614 -10.229 -8.017 1.00 0.00 H new ATOM 0 HG23 ILE A 29 22.037 -10.231 -9.086 1.00 0.00 H new ATOM 0 HD11 ILE A 29 21.417 -13.443 -11.785 1.00 0.00 H new ATOM 0 HD12 ILE A 29 20.096 -13.572 -10.599 1.00 0.00 H new ATOM 0 HD13 ILE A 29 20.596 -11.975 -11.205 1.00 0.00 H new ATOM 470 N GLY A 30 20.624 -12.043 -5.561 1.00 0.00 N ATOM 471 CA GLY A 30 20.014 -11.344 -4.441 1.00 0.00 C ATOM 472 C GLY A 30 21.026 -11.148 -3.322 1.00 0.00 C ATOM 473 O GLY A 30 21.118 -10.070 -2.734 1.00 0.00 O ATOM 0 H GLY A 30 20.193 -12.938 -5.792 1.00 0.00 H new ATOM 0 HA2 GLY A 30 19.635 -10.377 -4.771 1.00 0.00 H new ATOM 0 HA3 GLY A 30 19.160 -11.912 -4.072 1.00 0.00 H new ATOM 477 N ARG A 31 21.790 -12.197 -3.039 1.00 0.00 N ATOM 478 CA ARG A 31 22.801 -12.137 -1.998 1.00 0.00 C ATOM 479 C ARG A 31 23.878 -11.144 -2.366 1.00 0.00 C ATOM 480 O ARG A 31 24.290 -10.321 -1.555 1.00 0.00 O ATOM 481 CB ARG A 31 23.455 -13.499 -1.879 1.00 0.00 C ATOM 482 CG ARG A 31 22.467 -14.497 -1.285 1.00 0.00 C ATOM 483 CD ARG A 31 22.951 -15.896 -1.579 1.00 0.00 C ATOM 484 NE ARG A 31 22.275 -16.857 -0.718 1.00 0.00 N ATOM 485 CZ ARG A 31 22.749 -18.084 -0.555 1.00 0.00 C ATOM 486 NH1 ARG A 31 23.820 -18.461 -1.198 1.00 0.00 N ATOM 487 NH2 ARG A 31 22.137 -18.916 0.244 1.00 0.00 N ATOM 0 H ARG A 31 21.726 -13.096 -3.517 1.00 0.00 H new ATOM 0 HA ARG A 31 22.326 -11.838 -1.064 1.00 0.00 H new ATOM 0 HB2 ARG A 31 23.786 -13.841 -2.860 1.00 0.00 H new ATOM 0 HB3 ARG A 31 24.342 -13.433 -1.249 1.00 0.00 H new ATOM 0 HG2 ARG A 31 22.380 -14.346 -0.209 1.00 0.00 H new ATOM 0 HG3 ARG A 31 21.475 -14.344 -1.710 1.00 0.00 H new ATOM 0 HD2 ARG A 31 22.764 -16.140 -2.625 1.00 0.00 H new ATOM 0 HD3 ARG A 31 24.029 -15.955 -1.425 1.00 0.00 H new ATOM 0 HE ARG A 31 21.422 -16.581 -0.232 1.00 0.00 H new ATOM 0 HH11 ARG A 31 24.293 -17.811 -1.826 1.00 0.00 H new ATOM 0 HH12 ARG A 31 24.184 -19.405 -1.072 1.00 0.00 H new ATOM 0 HH21 ARG A 31 21.296 -18.621 0.741 1.00 0.00 H new ATOM 0 HH22 ARG A 31 22.500 -19.861 0.371 1.00 0.00 H new ATOM 501 N ALA A 32 24.339 -11.241 -3.599 1.00 0.00 N ATOM 502 CA ALA A 32 25.389 -10.357 -4.063 1.00 0.00 C ATOM 503 C ALA A 32 24.897 -8.915 -4.006 1.00 0.00 C ATOM 504 O ALA A 32 25.622 -8.010 -3.595 1.00 0.00 O ATOM 505 CB ALA A 32 25.781 -10.721 -5.497 1.00 0.00 C ATOM 0 H ALA A 32 24.007 -11.915 -4.289 1.00 0.00 H new ATOM 0 HA ALA A 32 26.264 -10.465 -3.422 1.00 0.00 H new ATOM 0 HB1 ALA A 32 26.571 -10.052 -5.839 1.00 0.00 H new ATOM 0 HB2 ALA A 32 26.139 -11.750 -5.526 1.00 0.00 H new ATOM 0 HB3 ALA A 32 24.913 -10.620 -6.148 1.00 0.00 H new ATOM 511 N ALA A 33 23.643 -8.725 -4.396 1.00 0.00 N ATOM 512 CA ALA A 33 23.019 -7.407 -4.366 1.00 0.00 C ATOM 513 C ALA A 33 22.657 -7.035 -2.937 1.00 0.00 C ATOM 514 O ALA A 33 22.568 -5.861 -2.590 1.00 0.00 O ATOM 515 CB ALA A 33 21.741 -7.415 -5.208 1.00 0.00 C ATOM 0 H ALA A 33 23.036 -9.470 -4.738 1.00 0.00 H new ATOM 0 HA ALA A 33 23.725 -6.681 -4.770 1.00 0.00 H new ATOM 0 HB1 ALA A 33 21.281 -6.427 -5.180 1.00 0.00 H new ATOM 0 HB2 ALA A 33 21.986 -7.673 -6.238 1.00 0.00 H new ATOM 0 HB3 ALA A 33 21.045 -8.151 -4.806 1.00 0.00 H new ATOM 521 N GLY A 34 22.403 -8.053 -2.126 1.00 0.00 N ATOM 522 CA GLY A 34 21.995 -7.833 -0.755 1.00 0.00 C ATOM 523 C GLY A 34 22.986 -6.949 -0.010 1.00 0.00 C ATOM 524 O GLY A 34 22.606 -5.941 0.577 1.00 0.00 O ATOM 0 H GLY A 34 22.473 -9.034 -2.397 1.00 0.00 H new ATOM 0 HA2 GLY A 34 21.009 -7.369 -0.738 1.00 0.00 H new ATOM 0 HA3 GLY A 34 21.905 -8.791 -0.243 1.00 0.00 H new ATOM 528 N ARG A 35 24.254 -7.331 -0.043 1.00 0.00 N ATOM 529 CA ARG A 35 25.295 -6.576 0.631 1.00 0.00 C ATOM 530 C ARG A 35 25.438 -5.186 0.034 1.00 0.00 C ATOM 531 O ARG A 35 25.570 -4.206 0.759 1.00 0.00 O ATOM 532 CB ARG A 35 26.612 -7.340 0.495 1.00 0.00 C ATOM 533 CG ARG A 35 26.653 -8.451 1.532 1.00 0.00 C ATOM 534 CD ARG A 35 25.405 -9.329 1.433 1.00 0.00 C ATOM 535 NE ARG A 35 25.636 -10.609 2.098 1.00 0.00 N ATOM 536 CZ ARG A 35 25.435 -10.759 3.403 1.00 0.00 C ATOM 537 NH1 ARG A 35 25.027 -9.749 4.122 1.00 0.00 N ATOM 538 NH2 ARG A 35 25.645 -11.918 3.964 1.00 0.00 N ATOM 0 H ARG A 35 24.586 -8.163 -0.532 1.00 0.00 H new ATOM 0 HA ARG A 35 25.030 -6.459 1.682 1.00 0.00 H new ATOM 0 HB2 ARG A 35 26.702 -7.758 -0.508 1.00 0.00 H new ATOM 0 HB3 ARG A 35 27.455 -6.664 0.635 1.00 0.00 H new ATOM 0 HG2 ARG A 35 27.545 -9.060 1.385 1.00 0.00 H new ATOM 0 HG3 ARG A 35 26.723 -8.020 2.531 1.00 0.00 H new ATOM 0 HD2 ARG A 35 24.556 -8.821 1.891 1.00 0.00 H new ATOM 0 HD3 ARG A 35 25.150 -9.495 0.386 1.00 0.00 H new ATOM 0 HE ARG A 35 25.959 -11.405 1.548 1.00 0.00 H new ATOM 0 HH11 ARG A 35 24.862 -8.844 3.682 1.00 0.00 H new ATOM 0 HH12 ARG A 35 24.873 -9.865 5.124 1.00 0.00 H new ATOM 0 HH21 ARG A 35 25.963 -12.707 3.401 1.00 0.00 H new ATOM 0 HH22 ARG A 35 25.491 -12.035 4.966 1.00 0.00 H new ATOM 552 N THR A 36 25.396 -5.116 -1.284 1.00 0.00 N ATOM 553 CA THR A 36 25.509 -3.847 -1.983 1.00 0.00 C ATOM 554 C THR A 36 24.319 -2.958 -1.637 1.00 0.00 C ATOM 555 O THR A 36 24.464 -1.764 -1.403 1.00 0.00 O ATOM 556 CB THR A 36 25.562 -4.113 -3.494 1.00 0.00 C ATOM 557 OG1 THR A 36 26.862 -4.561 -3.848 1.00 0.00 O ATOM 558 CG2 THR A 36 25.221 -2.849 -4.284 1.00 0.00 C ATOM 0 H THR A 36 25.284 -5.925 -1.894 1.00 0.00 H new ATOM 0 HA THR A 36 26.421 -3.334 -1.677 1.00 0.00 H new ATOM 0 HB THR A 36 24.826 -4.879 -3.738 1.00 0.00 H new ATOM 0 HG1 THR A 36 26.897 -4.733 -4.812 1.00 0.00 H new ATOM 0 HG21 THR A 36 25.266 -3.064 -5.352 1.00 0.00 H new ATOM 0 HG22 THR A 36 24.216 -2.516 -4.022 1.00 0.00 H new ATOM 0 HG23 THR A 36 25.938 -2.064 -4.042 1.00 0.00 H new ATOM 566 N LEU A 37 23.146 -3.556 -1.628 1.00 0.00 N ATOM 567 CA LEU A 37 21.928 -2.832 -1.324 1.00 0.00 C ATOM 568 C LEU A 37 21.839 -2.493 0.155 1.00 0.00 C ATOM 569 O LEU A 37 21.309 -1.454 0.549 1.00 0.00 O ATOM 570 CB LEU A 37 20.744 -3.678 -1.728 1.00 0.00 C ATOM 571 CG LEU A 37 20.693 -3.761 -3.259 1.00 0.00 C ATOM 572 CD1 LEU A 37 19.762 -4.900 -3.680 1.00 0.00 C ATOM 573 CD2 LEU A 37 20.178 -2.436 -3.862 1.00 0.00 C ATOM 0 H LEU A 37 23.009 -4.547 -1.829 1.00 0.00 H new ATOM 0 HA LEU A 37 21.930 -1.894 -1.880 1.00 0.00 H new ATOM 0 HB2 LEU A 37 20.830 -4.676 -1.299 1.00 0.00 H new ATOM 0 HB3 LEU A 37 19.821 -3.244 -1.343 1.00 0.00 H new ATOM 0 HG LEU A 37 21.702 -3.947 -3.628 1.00 0.00 H new ATOM 0 HD11 LEU A 37 19.727 -4.958 -4.768 1.00 0.00 H new ATOM 0 HD12 LEU A 37 20.135 -5.842 -3.278 1.00 0.00 H new ATOM 0 HD13 LEU A 37 18.760 -4.713 -3.294 1.00 0.00 H new ATOM 0 HD21 LEU A 37 20.150 -2.517 -4.949 1.00 0.00 H new ATOM 0 HD22 LEU A 37 19.175 -2.231 -3.487 1.00 0.00 H new ATOM 0 HD23 LEU A 37 20.845 -1.623 -3.576 1.00 0.00 H new ATOM 585 N LEU A 38 22.356 -3.398 0.952 1.00 0.00 N ATOM 586 CA LEU A 38 22.353 -3.252 2.397 1.00 0.00 C ATOM 587 C LEU A 38 23.076 -1.978 2.798 1.00 0.00 C ATOM 588 O LEU A 38 22.663 -1.285 3.718 1.00 0.00 O ATOM 589 CB LEU A 38 23.063 -4.472 2.992 1.00 0.00 C ATOM 590 CG LEU A 38 23.250 -4.349 4.509 1.00 0.00 C ATOM 591 CD1 LEU A 38 21.922 -4.602 5.224 1.00 0.00 C ATOM 592 CD2 LEU A 38 24.289 -5.379 4.954 1.00 0.00 C ATOM 0 H LEU A 38 22.792 -4.259 0.621 1.00 0.00 H new ATOM 0 HA LEU A 38 21.330 -3.189 2.769 1.00 0.00 H new ATOM 0 HB2 LEU A 38 22.487 -5.370 2.770 1.00 0.00 H new ATOM 0 HB3 LEU A 38 24.036 -4.592 2.516 1.00 0.00 H new ATOM 0 HG LEU A 38 23.590 -3.344 4.761 1.00 0.00 H new ATOM 0 HD11 LEU A 38 22.066 -4.512 6.301 1.00 0.00 H new ATOM 0 HD12 LEU A 38 21.186 -3.869 4.894 1.00 0.00 H new ATOM 0 HD13 LEU A 38 21.567 -5.605 4.988 1.00 0.00 H new ATOM 0 HD21 LEU A 38 24.435 -5.306 6.032 1.00 0.00 H new ATOM 0 HD22 LEU A 38 23.940 -6.380 4.702 1.00 0.00 H new ATOM 0 HD23 LEU A 38 25.234 -5.186 4.446 1.00 0.00 H new ATOM 604 N GLU A 39 24.164 -1.682 2.120 1.00 0.00 N ATOM 605 CA GLU A 39 24.925 -0.487 2.429 1.00 0.00 C ATOM 606 C GLU A 39 24.247 0.742 1.829 1.00 0.00 C ATOM 607 O GLU A 39 24.484 1.866 2.275 1.00 0.00 O ATOM 608 CB GLU A 39 26.358 -0.612 1.911 1.00 0.00 C ATOM 609 CG GLU A 39 26.326 -0.980 0.443 1.00 0.00 C ATOM 610 CD GLU A 39 27.717 -0.856 -0.170 1.00 0.00 C ATOM 611 OE1 GLU A 39 28.675 -1.203 0.502 1.00 0.00 O ATOM 612 OE2 GLU A 39 27.804 -0.417 -1.305 1.00 0.00 O ATOM 0 H GLU A 39 24.540 -2.245 1.358 1.00 0.00 H new ATOM 0 HA GLU A 39 24.961 -0.372 3.512 1.00 0.00 H new ATOM 0 HB2 GLU A 39 26.891 0.328 2.051 1.00 0.00 H new ATOM 0 HB3 GLU A 39 26.897 -1.372 2.477 1.00 0.00 H new ATOM 0 HG2 GLU A 39 25.960 -2.000 0.326 1.00 0.00 H new ATOM 0 HG3 GLU A 39 25.630 -0.329 -0.086 1.00 0.00 H new ATOM 619 N PHE A 40 23.414 0.531 0.801 1.00 0.00 N ATOM 620 CA PHE A 40 22.735 1.643 0.151 1.00 0.00 C ATOM 621 C PHE A 40 21.719 2.301 1.078 1.00 0.00 C ATOM 622 O PHE A 40 21.678 3.524 1.200 1.00 0.00 O ATOM 623 CB PHE A 40 22.035 1.117 -1.112 1.00 0.00 C ATOM 624 CG PHE A 40 22.740 1.600 -2.361 1.00 0.00 C ATOM 625 CD1 PHE A 40 22.866 2.972 -2.596 1.00 0.00 C ATOM 626 CD2 PHE A 40 23.269 0.679 -3.274 1.00 0.00 C ATOM 627 CE1 PHE A 40 23.522 3.428 -3.745 1.00 0.00 C ATOM 628 CE2 PHE A 40 23.924 1.134 -4.425 1.00 0.00 C ATOM 629 CZ PHE A 40 24.051 2.510 -4.660 1.00 0.00 C ATOM 0 H PHE A 40 23.201 -0.387 0.411 1.00 0.00 H new ATOM 0 HA PHE A 40 23.473 2.402 -0.111 1.00 0.00 H new ATOM 0 HB2 PHE A 40 22.019 0.027 -1.097 1.00 0.00 H new ATOM 0 HB3 PHE A 40 20.997 1.451 -1.123 1.00 0.00 H new ATOM 0 HD1 PHE A 40 22.457 3.680 -1.891 1.00 0.00 H new ATOM 0 HD2 PHE A 40 23.172 -0.381 -3.091 1.00 0.00 H new ATOM 0 HE1 PHE A 40 23.620 4.488 -3.926 1.00 0.00 H new ATOM 0 HE2 PHE A 40 24.331 0.425 -5.131 1.00 0.00 H new ATOM 0 HZ PHE A 40 24.557 2.862 -5.547 1.00 0.00 H new ATOM 639 N LYS A 41 20.893 1.485 1.708 1.00 0.00 N ATOM 640 CA LYS A 41 19.871 2.002 2.596 1.00 0.00 C ATOM 641 C LYS A 41 20.502 2.714 3.785 1.00 0.00 C ATOM 642 O LYS A 41 19.972 3.703 4.287 1.00 0.00 O ATOM 643 CB LYS A 41 18.977 0.872 3.074 1.00 0.00 C ATOM 644 CG LYS A 41 19.812 -0.195 3.809 1.00 0.00 C ATOM 645 CD LYS A 41 19.427 -0.232 5.299 1.00 0.00 C ATOM 646 CE LYS A 41 20.216 -1.330 6.015 1.00 0.00 C ATOM 647 NZ LYS A 41 19.424 -2.592 6.000 1.00 0.00 N ATOM 0 H LYS A 41 20.910 0.469 1.621 1.00 0.00 H new ATOM 0 HA LYS A 41 19.267 2.723 2.046 1.00 0.00 H new ATOM 0 HB2 LYS A 41 18.208 1.264 3.740 1.00 0.00 H new ATOM 0 HB3 LYS A 41 18.464 0.421 2.225 1.00 0.00 H new ATOM 0 HG2 LYS A 41 19.645 -1.173 3.358 1.00 0.00 H new ATOM 0 HG3 LYS A 41 20.874 0.027 3.705 1.00 0.00 H new ATOM 0 HD2 LYS A 41 19.632 0.734 5.760 1.00 0.00 H new ATOM 0 HD3 LYS A 41 18.357 -0.415 5.403 1.00 0.00 H new ATOM 0 HE2 LYS A 41 21.177 -1.484 5.523 1.00 0.00 H new ATOM 0 HE3 LYS A 41 20.428 -1.032 7.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 19.933 -3.328 6.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 18.498 -2.426 6.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 19.287 -2.904 5.018 1.00 0.00 H new ATOM 661 N SER A 42 21.641 2.199 4.220 1.00 0.00 N ATOM 662 CA SER A 42 22.355 2.779 5.343 1.00 0.00 C ATOM 663 C SER A 42 22.846 4.175 4.972 1.00 0.00 C ATOM 664 O SER A 42 22.792 5.101 5.782 1.00 0.00 O ATOM 665 CB SER A 42 23.538 1.893 5.713 1.00 0.00 C ATOM 666 OG SER A 42 23.064 0.704 6.331 1.00 0.00 O ATOM 0 H SER A 42 22.090 1.380 3.811 1.00 0.00 H new ATOM 0 HA SER A 42 21.684 2.852 6.199 1.00 0.00 H new ATOM 0 HB2 SER A 42 24.115 1.647 4.821 1.00 0.00 H new ATOM 0 HB3 SER A 42 24.207 2.425 6.389 1.00 0.00 H new ATOM 0 HG SER A 42 22.902 0.022 5.646 1.00 0.00 H new ATOM 672 N ALA A 43 23.309 4.318 3.732 1.00 0.00 N ATOM 673 CA ALA A 43 23.787 5.607 3.245 1.00 0.00 C ATOM 674 C ALA A 43 22.613 6.560 3.032 1.00 0.00 C ATOM 675 O ALA A 43 22.680 7.737 3.381 1.00 0.00 O ATOM 676 CB ALA A 43 24.545 5.418 1.931 1.00 0.00 C ATOM 0 H ALA A 43 23.363 3.561 3.051 1.00 0.00 H new ATOM 0 HA ALA A 43 24.459 6.036 3.989 1.00 0.00 H new ATOM 0 HB1 ALA A 43 24.899 6.385 1.573 1.00 0.00 H new ATOM 0 HB2 ALA A 43 25.396 4.757 2.094 1.00 0.00 H new ATOM 0 HB3 ALA A 43 23.881 4.977 1.188 1.00 0.00 H new ATOM 682 N THR A 44 21.537 6.027 2.464 1.00 0.00 N ATOM 683 CA THR A 44 20.332 6.800 2.206 1.00 0.00 C ATOM 684 C THR A 44 19.710 7.299 3.506 1.00 0.00 C ATOM 685 O THR A 44 19.262 8.442 3.592 1.00 0.00 O ATOM 686 CB THR A 44 19.339 5.914 1.446 1.00 0.00 C ATOM 687 OG1 THR A 44 19.677 5.892 0.067 1.00 0.00 O ATOM 688 CG2 THR A 44 17.907 6.411 1.638 1.00 0.00 C ATOM 0 H THR A 44 21.477 5.052 2.171 1.00 0.00 H new ATOM 0 HA THR A 44 20.587 7.675 1.609 1.00 0.00 H new ATOM 0 HB THR A 44 19.397 4.901 1.845 1.00 0.00 H new ATOM 0 HG1 THR A 44 19.042 5.324 -0.416 1.00 0.00 H new ATOM 0 HG21 THR A 44 17.221 5.766 1.089 1.00 0.00 H new ATOM 0 HG22 THR A 44 17.654 6.391 2.698 1.00 0.00 H new ATOM 0 HG23 THR A 44 17.823 7.431 1.264 1.00 0.00 H new ATOM 696 N LYS A 45 19.671 6.432 4.503 1.00 0.00 N ATOM 697 CA LYS A 45 19.084 6.793 5.778 1.00 0.00 C ATOM 698 C LYS A 45 19.726 8.072 6.285 1.00 0.00 C ATOM 699 O LYS A 45 19.107 8.855 7.001 1.00 0.00 O ATOM 700 CB LYS A 45 19.301 5.659 6.785 1.00 0.00 C ATOM 701 CG LYS A 45 18.958 6.128 8.227 1.00 0.00 C ATOM 702 CD LYS A 45 20.241 6.481 8.998 1.00 0.00 C ATOM 703 CE LYS A 45 20.860 5.213 9.597 1.00 0.00 C ATOM 704 NZ LYS A 45 20.121 4.844 10.837 1.00 0.00 N ATOM 0 H LYS A 45 20.036 5.481 4.454 1.00 0.00 H new ATOM 0 HA LYS A 45 18.013 6.955 5.655 1.00 0.00 H new ATOM 0 HB2 LYS A 45 18.678 4.805 6.518 1.00 0.00 H new ATOM 0 HB3 LYS A 45 20.337 5.323 6.744 1.00 0.00 H new ATOM 0 HG2 LYS A 45 18.300 6.996 8.187 1.00 0.00 H new ATOM 0 HG3 LYS A 45 18.416 5.342 8.752 1.00 0.00 H new ATOM 0 HD2 LYS A 45 20.955 6.963 8.330 1.00 0.00 H new ATOM 0 HD3 LYS A 45 20.014 7.194 9.791 1.00 0.00 H new ATOM 0 HE2 LYS A 45 20.815 4.397 8.876 1.00 0.00 H new ATOM 0 HE3 LYS A 45 21.913 5.380 9.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 20.644 4.103 11.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 20.026 5.681 11.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 19.176 4.490 10.586 1.00 0.00 H new ATOM 718 N SER A 46 20.975 8.269 5.909 1.00 0.00 N ATOM 719 CA SER A 46 21.706 9.447 6.329 1.00 0.00 C ATOM 720 C SER A 46 21.257 10.684 5.546 1.00 0.00 C ATOM 721 O SER A 46 21.244 11.793 6.080 1.00 0.00 O ATOM 722 CB SER A 46 23.201 9.204 6.120 1.00 0.00 C ATOM 723 OG SER A 46 23.942 10.028 7.011 1.00 0.00 O ATOM 0 H SER A 46 21.503 7.630 5.315 1.00 0.00 H new ATOM 0 HA SER A 46 21.504 9.632 7.384 1.00 0.00 H new ATOM 0 HB2 SER A 46 23.438 8.155 6.295 1.00 0.00 H new ATOM 0 HB3 SER A 46 23.476 9.425 5.089 1.00 0.00 H new ATOM 0 HG SER A 46 24.901 9.873 6.880 1.00 0.00 H new ATOM 729 N LEU A 47 20.901 10.489 4.277 1.00 0.00 N ATOM 730 CA LEU A 47 20.468 11.596 3.433 1.00 0.00 C ATOM 731 C LEU A 47 19.105 12.117 3.868 1.00 0.00 C ATOM 732 O LEU A 47 18.875 13.324 3.922 1.00 0.00 O ATOM 733 CB LEU A 47 20.385 11.130 1.987 1.00 0.00 C ATOM 734 CG LEU A 47 21.699 10.461 1.572 1.00 0.00 C ATOM 735 CD1 LEU A 47 21.562 9.919 0.145 1.00 0.00 C ATOM 736 CD2 LEU A 47 22.847 11.482 1.629 1.00 0.00 C ATOM 0 H LEU A 47 20.904 9.580 3.815 1.00 0.00 H new ATOM 0 HA LEU A 47 21.195 12.402 3.529 1.00 0.00 H new ATOM 0 HB2 LEU A 47 19.558 10.429 1.870 1.00 0.00 H new ATOM 0 HB3 LEU A 47 20.178 11.979 1.335 1.00 0.00 H new ATOM 0 HG LEU A 47 21.919 9.641 2.256 1.00 0.00 H new ATOM 0 HD11 LEU A 47 22.495 9.442 -0.154 1.00 0.00 H new ATOM 0 HD12 LEU A 47 20.754 9.189 0.109 1.00 0.00 H new ATOM 0 HD13 LEU A 47 21.340 10.740 -0.536 1.00 0.00 H new ATOM 0 HD21 LEU A 47 23.778 10.999 1.333 1.00 0.00 H new ATOM 0 HD22 LEU A 47 22.634 12.307 0.950 1.00 0.00 H new ATOM 0 HD23 LEU A 47 22.944 11.864 2.645 1.00 0.00 H new ATOM 748 N VAL A 48 18.206 11.194 4.176 1.00 0.00 N ATOM 749 CA VAL A 48 16.863 11.560 4.607 1.00 0.00 C ATOM 750 C VAL A 48 16.876 12.151 6.001 1.00 0.00 C ATOM 751 O VAL A 48 16.016 12.958 6.355 1.00 0.00 O ATOM 752 CB VAL A 48 15.945 10.339 4.579 1.00 0.00 C ATOM 753 CG1 VAL A 48 16.534 9.239 5.461 1.00 0.00 C ATOM 754 CG2 VAL A 48 14.560 10.729 5.109 1.00 0.00 C ATOM 0 H VAL A 48 18.380 10.190 4.136 1.00 0.00 H new ATOM 0 HA VAL A 48 16.487 12.313 3.915 1.00 0.00 H new ATOM 0 HB VAL A 48 15.855 9.976 3.555 1.00 0.00 H new ATOM 0 HG11 VAL A 48 15.880 8.368 5.442 1.00 0.00 H new ATOM 0 HG12 VAL A 48 17.519 8.961 5.087 1.00 0.00 H new ATOM 0 HG13 VAL A 48 16.624 9.602 6.485 1.00 0.00 H new ATOM 0 HG21 VAL A 48 13.904 9.858 5.089 1.00 0.00 H new ATOM 0 HG22 VAL A 48 14.651 11.092 6.133 1.00 0.00 H new ATOM 0 HG23 VAL A 48 14.139 11.515 4.482 1.00 0.00 H new ATOM 764 N SER A 49 17.844 11.736 6.792 1.00 0.00 N ATOM 765 CA SER A 49 17.942 12.221 8.151 1.00 0.00 C ATOM 766 C SER A 49 18.115 13.731 8.161 1.00 0.00 C ATOM 767 O SER A 49 17.804 14.398 9.148 1.00 0.00 O ATOM 768 CB SER A 49 19.124 11.561 8.844 1.00 0.00 C ATOM 769 OG SER A 49 20.334 12.120 8.348 1.00 0.00 O ATOM 0 H SER A 49 18.567 11.070 6.520 1.00 0.00 H new ATOM 0 HA SER A 49 17.024 11.971 8.683 1.00 0.00 H new ATOM 0 HB2 SER A 49 19.057 11.709 9.922 1.00 0.00 H new ATOM 0 HB3 SER A 49 19.108 10.485 8.668 1.00 0.00 H new ATOM 0 HG SER A 49 20.293 12.175 7.370 1.00 0.00 H new ATOM 775 N GLY A 50 18.613 14.264 7.053 1.00 0.00 N ATOM 776 CA GLY A 50 18.824 15.698 6.938 1.00 0.00 C ATOM 777 C GLY A 50 17.499 16.428 6.762 1.00 0.00 C ATOM 778 O GLY A 50 17.403 17.389 6.000 1.00 0.00 O ATOM 0 H GLY A 50 18.877 13.727 6.227 1.00 0.00 H new ATOM 0 HA2 GLY A 50 19.332 16.068 7.828 1.00 0.00 H new ATOM 0 HA3 GLY A 50 19.475 15.907 6.089 1.00 0.00 H new ATOM 782 N ASP A 51 16.480 15.961 7.475 1.00 0.00 N ATOM 783 CA ASP A 51 15.158 16.569 7.400 1.00 0.00 C ATOM 784 C ASP A 51 15.071 17.779 8.324 1.00 0.00 C ATOM 785 O ASP A 51 15.969 18.025 9.127 1.00 0.00 O ATOM 786 CB ASP A 51 14.093 15.545 7.796 1.00 0.00 C ATOM 787 CG ASP A 51 14.309 15.100 9.238 1.00 0.00 C ATOM 788 OD1 ASP A 51 15.299 15.509 9.822 1.00 0.00 O ATOM 789 OD2 ASP A 51 13.480 14.357 9.738 1.00 0.00 O ATOM 0 H ASP A 51 16.544 15.165 8.110 1.00 0.00 H new ATOM 0 HA ASP A 51 14.986 16.897 6.375 1.00 0.00 H new ATOM 0 HB2 ASP A 51 13.100 15.980 7.686 1.00 0.00 H new ATOM 0 HB3 ASP A 51 14.139 14.683 7.130 1.00 0.00 H new ATOM 794 N GLU A 52 13.983 18.527 8.202 1.00 0.00 N ATOM 795 CA GLU A 52 13.782 19.710 9.027 1.00 0.00 C ATOM 796 C GLU A 52 13.494 19.315 10.472 1.00 0.00 C ATOM 797 O GLU A 52 13.609 20.172 11.333 1.00 0.00 O ATOM 798 CB GLU A 52 12.616 20.529 8.478 1.00 0.00 C ATOM 799 CG GLU A 52 12.962 21.063 7.085 1.00 0.00 C ATOM 800 CD GLU A 52 14.115 22.059 7.173 1.00 0.00 C ATOM 801 OE1 GLU A 52 14.350 22.567 8.257 1.00 0.00 O ATOM 802 OE2 GLU A 52 14.743 22.299 6.156 1.00 0.00 O ATOM 0 H GLU A 52 13.229 18.337 7.542 1.00 0.00 H new ATOM 0 HA GLU A 52 14.693 20.308 9.003 1.00 0.00 H new ATOM 0 HB2 GLU A 52 11.719 19.912 8.428 1.00 0.00 H new ATOM 0 HB3 GLU A 52 12.395 21.358 9.150 1.00 0.00 H new ATOM 0 HG2 GLU A 52 13.235 20.237 6.428 1.00 0.00 H new ATOM 0 HG3 GLU A 52 12.089 21.545 6.645 1.00 0.00 H new TER 809 GLU A 52