USER MOD reduce.3.24.130724 H: found=0, std=0, add=421, rem=0, adj=11 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+ -108:sc= -3.75! (180deg=-0.654) USER MOD Set 1.2: A 4 ASN : amide:sc= -5.02! K(o=-8.8!,f=-0.63) USER MOD Single : A 1 MET CE :methyl 153:sc= -0.182 (180deg=-1.13) 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+ -177:sc= -0.753 (180deg=-0.832) 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+ -157:sc= -0.0196 (180deg=-0.312) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.393 -15.363 -18.824 1.00 0.00 N ATOM 2 CA MET A 1 -7.127 -15.344 -19.607 1.00 0.00 C ATOM 3 C MET A 1 -5.949 -15.610 -18.676 1.00 0.00 C ATOM 4 O MET A 1 -5.880 -16.658 -18.032 1.00 0.00 O ATOM 5 CB MET A 1 -6.972 -13.987 -20.281 1.00 0.00 C ATOM 6 CG MET A 1 -8.021 -13.837 -21.369 1.00 0.00 C ATOM 7 SD MET A 1 -7.901 -12.189 -22.109 1.00 0.00 S ATOM 8 CE MET A 1 -6.270 -12.386 -22.870 1.00 0.00 C ATOM 0 H1 MET A 1 -8.928 -16.225 -19.050 1.00 0.00 H new ATOM 0 H2 MET A 1 -8.173 -15.349 -17.808 1.00 0.00 H new ATOM 0 H3 MET A 1 -8.964 -14.528 -19.066 1.00 0.00 H new ATOM 0 HA MET A 1 -7.153 -16.120 -20.372 1.00 0.00 H new ATOM 0 HB2 MET A 1 -7.079 -13.190 -19.546 1.00 0.00 H new ATOM 0 HB3 MET A 1 -5.974 -13.894 -20.709 1.00 0.00 H new ATOM 0 HG2 MET A 1 -7.878 -14.601 -22.133 1.00 0.00 H new ATOM 0 HG3 MET A 1 -9.016 -13.987 -20.951 1.00 0.00 H new ATOM 0 HE1 MET A 1 -6.192 -11.732 -23.738 1.00 0.00 H new ATOM 0 HE2 MET A 1 -5.497 -12.124 -22.147 1.00 0.00 H new ATOM 0 HE3 MET A 1 -6.137 -13.422 -23.183 1.00 0.00 H new ATOM 20 N PHE A 2 -5.023 -14.658 -18.608 1.00 0.00 N ATOM 21 CA PHE A 2 -3.854 -14.793 -17.759 1.00 0.00 C ATOM 22 C PHE A 2 -4.167 -14.342 -16.342 1.00 0.00 C ATOM 23 O PHE A 2 -3.320 -14.424 -15.453 1.00 0.00 O ATOM 24 CB PHE A 2 -2.726 -13.952 -18.320 1.00 0.00 C ATOM 25 CG PHE A 2 -2.376 -14.440 -19.705 1.00 0.00 C ATOM 26 CD1 PHE A 2 -1.407 -15.436 -19.870 1.00 0.00 C ATOM 27 CD2 PHE A 2 -3.018 -13.895 -20.823 1.00 0.00 C ATOM 28 CE1 PHE A 2 -1.080 -15.889 -21.154 1.00 0.00 C ATOM 29 CE2 PHE A 2 -2.691 -14.347 -22.107 1.00 0.00 C ATOM 30 CZ PHE A 2 -1.722 -15.344 -22.272 1.00 0.00 C ATOM 0 H PHE A 2 -5.064 -13.785 -19.134 1.00 0.00 H new ATOM 0 HA PHE A 2 -3.558 -15.842 -17.733 1.00 0.00 H new ATOM 0 HB2 PHE A 2 -3.023 -12.904 -18.356 1.00 0.00 H new ATOM 0 HB3 PHE A 2 -1.854 -14.014 -17.670 1.00 0.00 H new ATOM 0 HD1 PHE A 2 -0.911 -15.855 -19.007 1.00 0.00 H new ATOM 0 HD2 PHE A 2 -3.765 -13.126 -20.695 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -0.333 -16.658 -21.282 1.00 0.00 H new ATOM 0 HE2 PHE A 2 -3.186 -13.927 -22.970 1.00 0.00 H new ATOM 0 HZ PHE A 2 -1.470 -15.693 -23.263 1.00 0.00 H new ATOM 40 N SER A 3 -5.390 -13.856 -16.138 1.00 0.00 N ATOM 41 CA SER A 3 -5.817 -13.388 -14.820 1.00 0.00 C ATOM 42 C SER A 3 -6.715 -14.425 -14.146 1.00 0.00 C ATOM 43 O SER A 3 -6.821 -14.466 -12.920 1.00 0.00 O ATOM 44 CB SER A 3 -6.561 -12.062 -14.965 1.00 0.00 C ATOM 45 OG SER A 3 -5.619 -10.999 -15.005 1.00 0.00 O ATOM 0 H SER A 3 -6.101 -13.776 -16.865 1.00 0.00 H new ATOM 0 HA SER A 3 -4.936 -13.241 -14.195 1.00 0.00 H new ATOM 0 HB2 SER A 3 -7.161 -12.066 -15.875 1.00 0.00 H new ATOM 0 HB3 SER A 3 -7.248 -11.924 -14.130 1.00 0.00 H new ATOM 0 HG SER A 3 -6.092 -10.146 -15.100 1.00 0.00 H new ATOM 51 N ASN A 4 -7.357 -15.258 -14.958 1.00 0.00 N ATOM 52 CA ASN A 4 -8.244 -16.290 -14.435 1.00 0.00 C ATOM 53 C ASN A 4 -7.442 -17.465 -13.898 1.00 0.00 C ATOM 54 O ASN A 4 -7.974 -18.322 -13.193 1.00 0.00 O ATOM 55 CB ASN A 4 -9.207 -16.763 -15.526 1.00 0.00 C ATOM 56 CG ASN A 4 -10.322 -15.738 -15.720 1.00 0.00 C ATOM 57 OD1 ASN A 4 -11.181 -15.583 -14.851 1.00 0.00 O ATOM 58 ND2 ASN A 4 -10.357 -15.023 -16.809 1.00 0.00 N ATOM 0 H ASN A 4 -7.280 -15.239 -15.975 1.00 0.00 H new ATOM 0 HA ASN A 4 -8.822 -15.863 -13.615 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -8.667 -16.906 -16.462 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -9.633 -17.728 -15.253 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -11.097 -14.334 -16.943 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -9.645 -15.153 -17.527 1.00 0.00 H new ATOM 65 N ILE A 5 -6.162 -17.501 -14.233 1.00 0.00 N ATOM 66 CA ILE A 5 -5.309 -18.577 -13.774 1.00 0.00 C ATOM 67 C ILE A 5 -5.240 -18.592 -12.253 1.00 0.00 C ATOM 68 O ILE A 5 -5.401 -19.641 -11.633 1.00 0.00 O ATOM 69 CB ILE A 5 -3.902 -18.409 -14.363 1.00 0.00 C ATOM 70 CG1 ILE A 5 -3.367 -17.005 -14.040 1.00 0.00 C ATOM 71 CG2 ILE A 5 -3.962 -18.602 -15.877 1.00 0.00 C ATOM 72 CD1 ILE A 5 -2.090 -16.715 -14.842 1.00 0.00 C ATOM 0 H ILE A 5 -5.698 -16.804 -14.815 1.00 0.00 H new ATOM 0 HA ILE A 5 -5.729 -19.525 -14.109 1.00 0.00 H new ATOM 0 HB ILE A 5 -3.235 -19.153 -13.927 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -4.126 -16.258 -14.273 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -3.159 -16.926 -12.973 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -2.964 -18.483 -16.299 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -4.334 -19.601 -16.102 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -4.631 -17.859 -16.312 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -1.727 -15.716 -14.599 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -1.326 -17.450 -14.589 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -2.309 -16.772 -15.908 1.00 0.00 H new ATOM 84 N GLY A 6 -5.005 -17.419 -11.666 1.00 0.00 N ATOM 85 CA GLY A 6 -4.897 -17.283 -10.211 1.00 0.00 C ATOM 86 C GLY A 6 -3.424 -17.293 -9.805 1.00 0.00 C ATOM 87 O GLY A 6 -2.642 -16.450 -10.244 1.00 0.00 O ATOM 0 H GLY A 6 -4.885 -16.545 -12.177 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -5.368 -16.355 -9.886 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -5.426 -18.099 -9.719 1.00 0.00 H new ATOM 91 N ILE A 7 -3.049 -18.283 -8.994 1.00 0.00 N ATOM 92 CA ILE A 7 -1.665 -18.450 -8.554 1.00 0.00 C ATOM 93 C ILE A 7 -0.947 -19.628 -9.262 1.00 0.00 C ATOM 94 O ILE A 7 0.279 -19.695 -9.229 1.00 0.00 O ATOM 95 CB ILE A 7 -1.646 -18.679 -7.041 1.00 0.00 C ATOM 96 CG1 ILE A 7 -0.202 -18.831 -6.535 1.00 0.00 C ATOM 97 CG2 ILE A 7 -2.438 -19.945 -6.690 1.00 0.00 C ATOM 98 CD1 ILE A 7 0.665 -17.638 -6.957 1.00 0.00 C ATOM 0 H ILE A 7 -3.691 -18.986 -8.627 1.00 0.00 H new ATOM 0 HA ILE A 7 -1.126 -17.540 -8.818 1.00 0.00 H new ATOM 0 HB ILE A 7 -2.104 -17.815 -6.560 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -0.202 -18.917 -5.448 1.00 0.00 H new ATOM 0 HG13 ILE A 7 0.228 -19.753 -6.927 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -2.418 -20.099 -5.611 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -3.470 -19.832 -7.022 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -1.989 -20.805 -7.187 1.00 0.00 H new ATOM 0 HD11 ILE A 7 1.680 -17.776 -6.584 1.00 0.00 H new ATOM 0 HD12 ILE A 7 0.684 -17.569 -8.045 1.00 0.00 H new ATOM 0 HD13 ILE A 7 0.248 -16.720 -6.543 1.00 0.00 H new ATOM 110 N PRO A 8 -1.653 -20.567 -9.879 1.00 0.00 N ATOM 111 CA PRO A 8 -1.005 -21.745 -10.543 1.00 0.00 C ATOM 112 C PRO A 8 -0.285 -21.376 -11.836 1.00 0.00 C ATOM 113 O PRO A 8 0.898 -21.672 -12.000 1.00 0.00 O ATOM 114 CB PRO A 8 -2.175 -22.707 -10.802 1.00 0.00 C ATOM 115 CG PRO A 8 -3.370 -21.827 -10.932 1.00 0.00 C ATOM 116 CD PRO A 8 -3.116 -20.617 -10.030 1.00 0.00 C ATOM 0 HA PRO A 8 -0.223 -22.180 -9.921 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -2.014 -23.291 -11.708 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -2.293 -23.416 -9.982 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -3.513 -21.517 -11.967 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -4.275 -22.354 -10.629 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -3.500 -19.701 -10.479 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -3.610 -20.731 -9.065 1.00 0.00 H new ATOM 124 N GLY A 9 -0.999 -20.736 -12.746 1.00 0.00 N ATOM 125 CA GLY A 9 -0.406 -20.344 -14.014 1.00 0.00 C ATOM 126 C GLY A 9 0.827 -19.486 -13.778 1.00 0.00 C ATOM 127 O GLY A 9 1.694 -19.377 -14.645 1.00 0.00 O ATOM 0 H GLY A 9 -1.980 -20.479 -12.633 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -0.136 -21.231 -14.586 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -1.134 -19.791 -14.608 1.00 0.00 H new ATOM 131 N LEU A 10 0.904 -18.880 -12.597 1.00 0.00 N ATOM 132 CA LEU A 10 2.041 -18.040 -12.267 1.00 0.00 C ATOM 133 C LEU A 10 3.319 -18.864 -12.257 1.00 0.00 C ATOM 134 O LEU A 10 4.357 -18.416 -12.738 1.00 0.00 O ATOM 135 CB LEU A 10 1.841 -17.374 -10.903 1.00 0.00 C ATOM 136 CG LEU A 10 3.021 -16.406 -10.596 1.00 0.00 C ATOM 137 CD1 LEU A 10 2.506 -15.175 -9.842 1.00 0.00 C ATOM 138 CD2 LEU A 10 4.082 -17.102 -9.726 1.00 0.00 C ATOM 0 H LEU A 10 0.200 -18.956 -11.863 1.00 0.00 H new ATOM 0 HA LEU A 10 2.124 -17.263 -13.027 1.00 0.00 H new ATOM 0 HB2 LEU A 10 0.899 -16.825 -10.893 1.00 0.00 H new ATOM 0 HB3 LEU A 10 1.774 -18.135 -10.125 1.00 0.00 H new ATOM 0 HG LEU A 10 3.467 -16.107 -11.545 1.00 0.00 H new ATOM 0 HD11 LEU A 10 3.338 -14.503 -9.631 1.00 0.00 H new ATOM 0 HD12 LEU A 10 1.767 -14.657 -10.453 1.00 0.00 H new ATOM 0 HD13 LEU A 10 2.046 -15.488 -8.905 1.00 0.00 H new ATOM 0 HD21 LEU A 10 4.898 -16.408 -9.523 1.00 0.00 H new ATOM 0 HD22 LEU A 10 3.631 -17.417 -8.785 1.00 0.00 H new ATOM 0 HD23 LEU A 10 4.470 -17.974 -10.253 1.00 0.00 H new ATOM 150 N ILE A 11 3.237 -20.067 -11.701 1.00 0.00 N ATOM 151 CA ILE A 11 4.398 -20.945 -11.621 1.00 0.00 C ATOM 152 C ILE A 11 4.908 -21.274 -13.013 1.00 0.00 C ATOM 153 O ILE A 11 6.106 -21.228 -13.250 1.00 0.00 O ATOM 154 CB ILE A 11 4.022 -22.239 -10.860 1.00 0.00 C ATOM 155 CG1 ILE A 11 4.049 -21.988 -9.345 1.00 0.00 C ATOM 156 CG2 ILE A 11 5.005 -23.369 -11.197 1.00 0.00 C ATOM 157 CD1 ILE A 11 3.277 -20.713 -9.006 1.00 0.00 C ATOM 0 H ILE A 11 2.383 -20.455 -11.301 1.00 0.00 H new ATOM 0 HA ILE A 11 5.194 -20.435 -11.078 1.00 0.00 H new ATOM 0 HB ILE A 11 3.018 -22.533 -11.167 1.00 0.00 H new ATOM 0 HG12 ILE A 11 3.611 -22.837 -8.821 1.00 0.00 H new ATOM 0 HG13 ILE A 11 5.080 -21.899 -9.002 1.00 0.00 H new ATOM 0 HG21 ILE A 11 4.724 -24.270 -10.652 1.00 0.00 H new ATOM 0 HG22 ILE A 11 4.976 -23.569 -12.268 1.00 0.00 H new ATOM 0 HG23 ILE A 11 6.014 -23.071 -10.910 1.00 0.00 H new ATOM 0 HD11 ILE A 11 3.304 -20.547 -7.929 1.00 0.00 H new ATOM 0 HD12 ILE A 11 3.734 -19.865 -9.516 1.00 0.00 H new ATOM 0 HD13 ILE A 11 2.242 -20.817 -9.331 1.00 0.00 H new ATOM 169 N LEU A 12 4.008 -21.590 -13.926 1.00 0.00 N ATOM 170 CA LEU A 12 4.417 -21.925 -15.276 1.00 0.00 C ATOM 171 C LEU A 12 5.170 -20.757 -15.888 1.00 0.00 C ATOM 172 O LEU A 12 6.227 -20.943 -16.482 1.00 0.00 O ATOM 173 CB LEU A 12 3.178 -22.226 -16.115 1.00 0.00 C ATOM 174 CG LEU A 12 3.579 -22.829 -17.473 1.00 0.00 C ATOM 175 CD1 LEU A 12 3.813 -24.338 -17.332 1.00 0.00 C ATOM 176 CD2 LEU A 12 2.457 -22.591 -18.489 1.00 0.00 C ATOM 0 H LEU A 12 3.002 -21.622 -13.760 1.00 0.00 H new ATOM 0 HA LEU A 12 5.068 -22.799 -15.253 1.00 0.00 H new ATOM 0 HB2 LEU A 12 2.529 -22.920 -15.580 1.00 0.00 H new ATOM 0 HB3 LEU A 12 2.607 -21.311 -16.271 1.00 0.00 H new ATOM 0 HG LEU A 12 4.498 -22.351 -17.813 1.00 0.00 H new ATOM 0 HD11 LEU A 12 4.096 -24.754 -18.299 1.00 0.00 H new ATOM 0 HD12 LEU A 12 4.612 -24.517 -16.612 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.898 -24.817 -16.985 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.741 -23.018 -19.451 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.541 -23.066 -18.137 1.00 0.00 H new ATOM 0 HD23 LEU A 12 2.290 -21.520 -18.603 1.00 0.00 H new ATOM 188 N ILE A 13 4.640 -19.556 -15.703 1.00 0.00 N ATOM 189 CA ILE A 13 5.286 -18.351 -16.210 1.00 0.00 C ATOM 190 C ILE A 13 6.599 -18.114 -15.489 1.00 0.00 C ATOM 191 O ILE A 13 7.589 -17.704 -16.093 1.00 0.00 O ATOM 192 CB ILE A 13 4.365 -17.130 -16.030 1.00 0.00 C ATOM 193 CG1 ILE A 13 3.308 -17.124 -17.143 1.00 0.00 C ATOM 194 CG2 ILE A 13 5.187 -15.830 -16.078 1.00 0.00 C ATOM 195 CD1 ILE A 13 2.202 -16.123 -16.805 1.00 0.00 C ATOM 0 H ILE A 13 3.765 -19.389 -15.206 1.00 0.00 H new ATOM 0 HA ILE A 13 5.484 -18.490 -17.273 1.00 0.00 H new ATOM 0 HB ILE A 13 3.872 -17.192 -15.060 1.00 0.00 H new ATOM 0 HG12 ILE A 13 3.770 -16.861 -18.094 1.00 0.00 H new ATOM 0 HG13 ILE A 13 2.884 -18.122 -17.260 1.00 0.00 H new ATOM 0 HG21 ILE A 13 4.523 -14.975 -15.949 1.00 0.00 H new ATOM 0 HG22 ILE A 13 5.928 -15.838 -15.278 1.00 0.00 H new ATOM 0 HG23 ILE A 13 5.693 -15.755 -17.040 1.00 0.00 H new ATOM 0 HD11 ILE A 13 1.455 -16.124 -17.599 1.00 0.00 H new ATOM 0 HD12 ILE A 13 1.731 -16.405 -15.864 1.00 0.00 H new ATOM 0 HD13 ILE A 13 2.631 -15.125 -16.711 1.00 0.00 H new ATOM 207 N PHE A 14 6.581 -18.323 -14.190 1.00 0.00 N ATOM 208 CA PHE A 14 7.753 -18.072 -13.393 1.00 0.00 C ATOM 209 C PHE A 14 8.926 -18.884 -13.929 1.00 0.00 C ATOM 210 O PHE A 14 10.042 -18.381 -14.033 1.00 0.00 O ATOM 211 CB PHE A 14 7.459 -18.433 -11.937 1.00 0.00 C ATOM 212 CG PHE A 14 8.338 -17.630 -11.002 1.00 0.00 C ATOM 213 CD1 PHE A 14 8.215 -16.236 -10.963 1.00 0.00 C ATOM 214 CD2 PHE A 14 9.267 -18.272 -10.177 1.00 0.00 C ATOM 215 CE1 PHE A 14 9.022 -15.483 -10.105 1.00 0.00 C ATOM 216 CE2 PHE A 14 10.077 -17.518 -9.318 1.00 0.00 C ATOM 217 CZ PHE A 14 9.954 -16.124 -9.282 1.00 0.00 C ATOM 0 H PHE A 14 5.772 -18.664 -13.670 1.00 0.00 H new ATOM 0 HA PHE A 14 8.018 -17.016 -13.446 1.00 0.00 H new ATOM 0 HB2 PHE A 14 6.410 -18.241 -11.714 1.00 0.00 H new ATOM 0 HB3 PHE A 14 7.628 -19.498 -11.779 1.00 0.00 H new ATOM 0 HD1 PHE A 14 7.495 -15.741 -11.597 1.00 0.00 H new ATOM 0 HD2 PHE A 14 9.360 -19.348 -10.202 1.00 0.00 H new ATOM 0 HE1 PHE A 14 8.926 -14.408 -10.078 1.00 0.00 H new ATOM 0 HE2 PHE A 14 10.797 -18.013 -8.683 1.00 0.00 H new ATOM 0 HZ PHE A 14 10.578 -15.544 -8.619 1.00 0.00 H new ATOM 227 N VAL A 15 8.651 -20.133 -14.275 1.00 0.00 N ATOM 228 CA VAL A 15 9.677 -21.023 -14.807 1.00 0.00 C ATOM 229 C VAL A 15 10.317 -20.414 -16.044 1.00 0.00 C ATOM 230 O VAL A 15 11.533 -20.470 -16.221 1.00 0.00 O ATOM 231 CB VAL A 15 9.056 -22.377 -15.161 1.00 0.00 C ATOM 232 CG1 VAL A 15 10.178 -23.391 -15.423 1.00 0.00 C ATOM 233 CG2 VAL A 15 8.144 -22.862 -14.001 1.00 0.00 C ATOM 0 H VAL A 15 7.726 -20.555 -14.197 1.00 0.00 H new ATOM 0 HA VAL A 15 10.446 -21.164 -14.047 1.00 0.00 H new ATOM 0 HB VAL A 15 8.445 -22.279 -16.058 1.00 0.00 H new ATOM 0 HG11 VAL A 15 9.743 -24.358 -15.676 1.00 0.00 H new ATOM 0 HG12 VAL A 15 10.796 -23.044 -16.251 1.00 0.00 H new ATOM 0 HG13 VAL A 15 10.793 -23.492 -14.529 1.00 0.00 H new ATOM 0 HG21 VAL A 15 7.706 -23.826 -14.261 1.00 0.00 H new ATOM 0 HG22 VAL A 15 8.736 -22.966 -13.092 1.00 0.00 H new ATOM 0 HG23 VAL A 15 7.349 -22.135 -13.835 1.00 0.00 H new ATOM 243 N ILE A 16 9.492 -19.828 -16.893 1.00 0.00 N ATOM 244 CA ILE A 16 9.996 -19.203 -18.115 1.00 0.00 C ATOM 245 C ILE A 16 11.093 -18.212 -17.773 1.00 0.00 C ATOM 246 O ILE A 16 12.028 -18.016 -18.539 1.00 0.00 O ATOM 247 CB ILE A 16 8.871 -18.485 -18.846 1.00 0.00 C ATOM 248 CG1 ILE A 16 7.688 -19.438 -18.992 1.00 0.00 C ATOM 249 CG2 ILE A 16 9.353 -18.028 -20.223 1.00 0.00 C ATOM 250 CD1 ILE A 16 8.115 -20.741 -19.684 1.00 0.00 C ATOM 0 H ILE A 16 8.482 -19.769 -16.767 1.00 0.00 H new ATOM 0 HA ILE A 16 10.399 -19.981 -18.763 1.00 0.00 H new ATOM 0 HB ILE A 16 8.563 -17.607 -18.278 1.00 0.00 H new ATOM 0 HG12 ILE A 16 7.274 -19.663 -18.009 1.00 0.00 H new ATOM 0 HG13 ILE A 16 6.898 -18.957 -19.569 1.00 0.00 H new ATOM 0 HG21 ILE A 16 8.542 -17.515 -20.740 1.00 0.00 H new ATOM 0 HG22 ILE A 16 10.197 -17.348 -20.106 1.00 0.00 H new ATOM 0 HG23 ILE A 16 9.664 -18.895 -20.806 1.00 0.00 H new ATOM 0 HD11 ILE A 16 7.254 -21.403 -19.776 1.00 0.00 H new ATOM 0 HD12 ILE A 16 8.507 -20.515 -20.676 1.00 0.00 H new ATOM 0 HD13 ILE A 16 8.888 -21.231 -19.092 1.00 0.00 H new ATOM 262 N ALA A 17 10.967 -17.593 -16.616 1.00 0.00 N ATOM 263 CA ALA A 17 11.967 -16.633 -16.156 1.00 0.00 C ATOM 264 C ALA A 17 13.198 -17.374 -15.630 1.00 0.00 C ATOM 265 O ALA A 17 14.324 -16.920 -15.765 1.00 0.00 O ATOM 266 CB ALA A 17 11.354 -15.742 -15.056 1.00 0.00 C ATOM 0 H ALA A 17 10.187 -17.733 -15.974 1.00 0.00 H new ATOM 0 HA ALA A 17 12.278 -16.001 -16.988 1.00 0.00 H new ATOM 0 HB1 ALA A 17 12.099 -15.025 -14.711 1.00 0.00 H new ATOM 0 HB2 ALA A 17 10.494 -15.207 -15.459 1.00 0.00 H new ATOM 0 HB3 ALA A 17 11.035 -16.364 -14.220 1.00 0.00 H new ATOM 272 N LEU A 18 12.967 -18.509 -15.010 1.00 0.00 N ATOM 273 CA LEU A 18 14.046 -19.285 -14.438 1.00 0.00 C ATOM 274 C LEU A 18 15.010 -19.786 -15.491 1.00 0.00 C ATOM 275 O LEU A 18 16.225 -19.769 -15.291 1.00 0.00 O ATOM 276 CB LEU A 18 13.449 -20.465 -13.686 1.00 0.00 C ATOM 277 CG LEU A 18 12.554 -19.984 -12.531 1.00 0.00 C ATOM 278 CD1 LEU A 18 12.206 -21.160 -11.628 1.00 0.00 C ATOM 279 CD2 LEU A 18 13.251 -18.897 -11.720 1.00 0.00 C ATOM 0 H LEU A 18 12.040 -18.917 -14.888 1.00 0.00 H new ATOM 0 HA LEU A 18 14.611 -18.641 -13.764 1.00 0.00 H new ATOM 0 HB2 LEU A 18 12.866 -21.081 -14.371 1.00 0.00 H new ATOM 0 HB3 LEU A 18 14.249 -21.094 -13.294 1.00 0.00 H new ATOM 0 HG LEU A 18 11.640 -19.565 -12.953 1.00 0.00 H new ATOM 0 HD11 LEU A 18 11.572 -20.816 -10.811 1.00 0.00 H new ATOM 0 HD12 LEU A 18 11.675 -21.917 -12.205 1.00 0.00 H new ATOM 0 HD13 LEU A 18 13.121 -21.590 -11.221 1.00 0.00 H new ATOM 0 HD21 LEU A 18 12.598 -18.573 -10.909 1.00 0.00 H new ATOM 0 HD22 LEU A 18 14.178 -19.291 -11.304 1.00 0.00 H new ATOM 0 HD23 LEU A 18 13.475 -18.048 -12.366 1.00 0.00 H new ATOM 291 N ILE A 19 14.479 -20.236 -16.602 1.00 0.00 N ATOM 292 CA ILE A 19 15.328 -20.742 -17.659 1.00 0.00 C ATOM 293 C ILE A 19 16.295 -19.657 -18.129 1.00 0.00 C ATOM 294 O ILE A 19 17.474 -19.924 -18.366 1.00 0.00 O ATOM 295 CB ILE A 19 14.462 -21.249 -18.813 1.00 0.00 C ATOM 296 CG1 ILE A 19 15.318 -21.500 -20.054 1.00 0.00 C ATOM 297 CG2 ILE A 19 13.379 -20.228 -19.133 1.00 0.00 C ATOM 298 CD1 ILE A 19 14.492 -22.281 -21.071 1.00 0.00 C ATOM 0 H ILE A 19 13.479 -20.264 -16.799 1.00 0.00 H new ATOM 0 HA ILE A 19 15.922 -21.574 -17.280 1.00 0.00 H new ATOM 0 HB ILE A 19 13.997 -22.188 -18.513 1.00 0.00 H new ATOM 0 HG12 ILE A 19 15.648 -20.554 -20.483 1.00 0.00 H new ATOM 0 HG13 ILE A 19 16.215 -22.059 -19.787 1.00 0.00 H new ATOM 0 HG21 ILE A 19 12.765 -20.594 -19.956 1.00 0.00 H new ATOM 0 HG22 ILE A 19 12.753 -20.074 -18.254 1.00 0.00 H new ATOM 0 HG23 ILE A 19 13.842 -19.284 -19.419 1.00 0.00 H new ATOM 0 HD11 ILE A 19 15.092 -22.466 -21.962 1.00 0.00 H new ATOM 0 HD12 ILE A 19 14.184 -23.232 -20.636 1.00 0.00 H new ATOM 0 HD13 ILE A 19 13.608 -21.703 -21.343 1.00 0.00 H new ATOM 310 N ILE A 20 15.793 -18.436 -18.254 1.00 0.00 N ATOM 311 CA ILE A 20 16.620 -17.317 -18.684 1.00 0.00 C ATOM 312 C ILE A 20 17.391 -16.722 -17.500 1.00 0.00 C ATOM 313 O ILE A 20 18.517 -16.256 -17.667 1.00 0.00 O ATOM 314 CB ILE A 20 15.745 -16.249 -19.362 1.00 0.00 C ATOM 315 CG1 ILE A 20 16.595 -14.993 -19.712 1.00 0.00 C ATOM 316 CG2 ILE A 20 14.572 -15.898 -18.453 1.00 0.00 C ATOM 317 CD1 ILE A 20 16.402 -13.882 -18.676 1.00 0.00 C ATOM 0 H ILE A 20 14.820 -18.196 -18.064 1.00 0.00 H new ATOM 0 HA ILE A 20 17.351 -17.679 -19.407 1.00 0.00 H new ATOM 0 HB ILE A 20 15.347 -16.644 -20.297 1.00 0.00 H new ATOM 0 HG12 ILE A 20 17.649 -15.267 -19.762 1.00 0.00 H new ATOM 0 HG13 ILE A 20 16.314 -14.625 -20.699 1.00 0.00 H new ATOM 0 HG21 ILE A 20 13.953 -15.141 -18.934 1.00 0.00 H new ATOM 0 HG22 ILE A 20 13.975 -16.791 -18.268 1.00 0.00 H new ATOM 0 HG23 ILE A 20 14.949 -15.510 -17.506 1.00 0.00 H new ATOM 0 HD11 ILE A 20 17.009 -13.019 -18.950 1.00 0.00 H new ATOM 0 HD12 ILE A 20 15.352 -13.591 -18.646 1.00 0.00 H new ATOM 0 HD13 ILE A 20 16.707 -14.243 -17.694 1.00 0.00 H new ATOM 329 N PHE A 21 16.780 -16.731 -16.306 1.00 0.00 N ATOM 330 CA PHE A 21 17.426 -16.177 -15.116 1.00 0.00 C ATOM 331 C PHE A 21 18.067 -17.276 -14.257 1.00 0.00 C ATOM 332 O PHE A 21 19.292 -17.337 -14.142 1.00 0.00 O ATOM 333 CB PHE A 21 16.415 -15.382 -14.277 1.00 0.00 C ATOM 334 CG PHE A 21 15.937 -14.166 -15.055 1.00 0.00 C ATOM 335 CD1 PHE A 21 16.848 -13.165 -15.431 1.00 0.00 C ATOM 336 CD2 PHE A 21 14.583 -14.037 -15.406 1.00 0.00 C ATOM 337 CE1 PHE A 21 16.407 -12.049 -16.154 1.00 0.00 C ATOM 338 CE2 PHE A 21 14.147 -12.919 -16.127 1.00 0.00 C ATOM 339 CZ PHE A 21 15.058 -11.928 -16.502 1.00 0.00 C ATOM 0 H PHE A 21 15.848 -17.113 -16.143 1.00 0.00 H new ATOM 0 HA PHE A 21 18.217 -15.508 -15.455 1.00 0.00 H new ATOM 0 HB2 PHE A 21 15.566 -16.015 -14.018 1.00 0.00 H new ATOM 0 HB3 PHE A 21 16.875 -15.067 -13.340 1.00 0.00 H new ATOM 0 HD1 PHE A 21 17.890 -13.256 -15.162 1.00 0.00 H new ATOM 0 HD2 PHE A 21 13.877 -14.802 -15.119 1.00 0.00 H new ATOM 0 HE1 PHE A 21 17.110 -11.281 -16.443 1.00 0.00 H new ATOM 0 HE2 PHE A 21 13.105 -12.822 -16.394 1.00 0.00 H new ATOM 0 HZ PHE A 21 14.720 -11.068 -17.061 1.00 0.00 H new ATOM 349 N GLY A 22 17.247 -18.141 -13.648 1.00 0.00 N ATOM 350 CA GLY A 22 17.759 -19.210 -12.809 1.00 0.00 C ATOM 351 C GLY A 22 17.181 -19.050 -11.401 1.00 0.00 C ATOM 352 O GLY A 22 16.988 -17.922 -10.955 1.00 0.00 O ATOM 0 H GLY A 22 16.230 -18.115 -13.725 1.00 0.00 H new ATOM 0 HA2 GLY A 22 17.483 -20.180 -13.223 1.00 0.00 H new ATOM 0 HA3 GLY A 22 18.848 -19.176 -12.776 1.00 0.00 H new ATOM 356 N PRO A 23 16.864 -20.109 -10.704 1.00 0.00 N ATOM 357 CA PRO A 23 16.265 -20.042 -9.334 1.00 0.00 C ATOM 358 C PRO A 23 17.350 -19.883 -8.305 1.00 0.00 C ATOM 359 O PRO A 23 17.116 -19.538 -7.141 1.00 0.00 O ATOM 360 CB PRO A 23 15.537 -21.403 -9.209 1.00 0.00 C ATOM 361 CG PRO A 23 15.730 -22.039 -10.551 1.00 0.00 C ATOM 362 CD PRO A 23 17.034 -21.501 -11.062 1.00 0.00 C ATOM 0 HA PRO A 23 15.593 -19.198 -9.179 1.00 0.00 H new ATOM 0 HB2 PRO A 23 15.964 -22.013 -8.413 1.00 0.00 H new ATOM 0 HB3 PRO A 23 14.480 -21.271 -8.978 1.00 0.00 H new ATOM 0 HG2 PRO A 23 15.758 -23.126 -10.471 1.00 0.00 H new ATOM 0 HG3 PRO A 23 14.911 -21.790 -11.225 1.00 0.00 H new ATOM 0 HD2 PRO A 23 17.896 -21.958 -10.577 1.00 0.00 H new ATOM 0 HD3 PRO A 23 17.158 -21.647 -12.135 1.00 0.00 H new ATOM 370 N SER A 24 18.545 -20.161 -8.776 1.00 0.00 N ATOM 371 CA SER A 24 19.742 -20.092 -7.973 1.00 0.00 C ATOM 372 C SER A 24 20.498 -18.811 -8.315 1.00 0.00 C ATOM 373 O SER A 24 21.345 -18.355 -7.555 1.00 0.00 O ATOM 374 CB SER A 24 20.578 -21.342 -8.270 1.00 0.00 C ATOM 375 OG SER A 24 21.106 -21.847 -7.052 1.00 0.00 O ATOM 0 H SER A 24 18.713 -20.445 -9.741 1.00 0.00 H new ATOM 0 HA SER A 24 19.511 -20.066 -6.908 1.00 0.00 H new ATOM 0 HB2 SER A 24 19.963 -22.099 -8.756 1.00 0.00 H new ATOM 0 HB3 SER A 24 21.387 -21.099 -8.959 1.00 0.00 H new ATOM 0 HG SER A 24 21.641 -22.648 -7.234 1.00 0.00 H new ATOM 381 N LYS A 25 20.164 -18.238 -9.476 1.00 0.00 N ATOM 382 CA LYS A 25 20.794 -17.007 -9.930 1.00 0.00 C ATOM 383 C LYS A 25 19.935 -15.806 -9.568 1.00 0.00 C ATOM 384 O LYS A 25 20.383 -14.665 -9.626 1.00 0.00 O ATOM 385 CB LYS A 25 20.986 -17.060 -11.437 1.00 0.00 C ATOM 386 CG LYS A 25 21.874 -18.243 -11.820 1.00 0.00 C ATOM 387 CD LYS A 25 23.256 -18.137 -11.158 1.00 0.00 C ATOM 388 CE LYS A 25 24.248 -19.034 -11.898 1.00 0.00 C ATOM 389 NZ LYS A 25 25.435 -19.278 -11.029 1.00 0.00 N ATOM 0 H LYS A 25 19.461 -18.611 -10.114 1.00 0.00 H new ATOM 0 HA LYS A 25 21.762 -16.906 -9.440 1.00 0.00 H new ATOM 0 HB2 LYS A 25 20.018 -17.149 -11.930 1.00 0.00 H new ATOM 0 HB3 LYS A 25 21.437 -16.131 -11.785 1.00 0.00 H new ATOM 0 HG2 LYS A 25 21.394 -19.174 -11.519 1.00 0.00 H new ATOM 0 HG3 LYS A 25 21.989 -18.279 -12.903 1.00 0.00 H new ATOM 0 HD2 LYS A 25 23.601 -17.103 -11.176 1.00 0.00 H new ATOM 0 HD3 LYS A 25 23.193 -18.433 -10.111 1.00 0.00 H new ATOM 0 HE2 LYS A 25 23.775 -19.980 -12.161 1.00 0.00 H new ATOM 0 HE3 LYS A 25 24.557 -18.562 -12.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 26.112 -19.888 -11.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 25.890 -18.371 -10.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 25.132 -19.745 -10.151 1.00 0.00 H new ATOM 403 N LEU A 26 18.695 -16.080 -9.191 1.00 0.00 N ATOM 404 CA LEU A 26 17.753 -15.030 -8.811 1.00 0.00 C ATOM 405 C LEU A 26 17.972 -14.612 -7.354 1.00 0.00 C ATOM 406 O LEU A 26 18.320 -13.463 -7.082 1.00 0.00 O ATOM 407 CB LEU A 26 16.305 -15.549 -9.018 1.00 0.00 C ATOM 408 CG LEU A 26 15.732 -15.069 -10.360 1.00 0.00 C ATOM 409 CD1 LEU A 26 14.578 -15.981 -10.799 1.00 0.00 C ATOM 410 CD2 LEU A 26 15.190 -13.648 -10.227 1.00 0.00 C ATOM 0 H LEU A 26 18.313 -17.024 -9.139 1.00 0.00 H new ATOM 0 HA LEU A 26 17.916 -14.153 -9.438 1.00 0.00 H new ATOM 0 HB2 LEU A 26 16.298 -16.638 -8.985 1.00 0.00 H new ATOM 0 HB3 LEU A 26 15.671 -15.201 -8.203 1.00 0.00 H new ATOM 0 HG LEU A 26 16.534 -15.095 -11.098 1.00 0.00 H new ATOM 0 HD11 LEU A 26 14.180 -15.631 -11.751 1.00 0.00 H new ATOM 0 HD12 LEU A 26 14.944 -17.002 -10.912 1.00 0.00 H new ATOM 0 HD13 LEU A 26 13.790 -15.959 -10.046 1.00 0.00 H new ATOM 0 HD21 LEU A 26 14.787 -13.321 -11.186 1.00 0.00 H new ATOM 0 HD22 LEU A 26 14.400 -13.629 -9.476 1.00 0.00 H new ATOM 0 HD23 LEU A 26 15.995 -12.978 -9.924 1.00 0.00 H new ATOM 422 N PRO A 27 17.769 -15.506 -6.417 1.00 0.00 N ATOM 423 CA PRO A 27 17.946 -15.193 -4.968 1.00 0.00 C ATOM 424 C PRO A 27 19.365 -14.725 -4.662 1.00 0.00 C ATOM 425 O PRO A 27 19.576 -13.897 -3.778 1.00 0.00 O ATOM 426 CB PRO A 27 17.618 -16.523 -4.258 1.00 0.00 C ATOM 427 CG PRO A 27 17.761 -17.573 -5.311 1.00 0.00 C ATOM 428 CD PRO A 27 17.357 -16.904 -6.620 1.00 0.00 C ATOM 0 HA PRO A 27 17.306 -14.376 -4.637 1.00 0.00 H new ATOM 0 HB2 PRO A 27 18.299 -16.704 -3.426 1.00 0.00 H new ATOM 0 HB3 PRO A 27 16.608 -16.512 -3.847 1.00 0.00 H new ATOM 0 HG2 PRO A 27 18.786 -17.941 -5.360 1.00 0.00 H new ATOM 0 HG3 PRO A 27 17.124 -18.431 -5.097 1.00 0.00 H new ATOM 0 HD2 PRO A 27 17.861 -17.353 -7.476 1.00 0.00 H new ATOM 0 HD3 PRO A 27 16.285 -16.987 -6.802 1.00 0.00 H new ATOM 436 N GLU A 28 20.330 -15.248 -5.404 1.00 0.00 N ATOM 437 CA GLU A 28 21.717 -14.863 -5.199 1.00 0.00 C ATOM 438 C GLU A 28 21.894 -13.376 -5.464 1.00 0.00 C ATOM 439 O GLU A 28 22.544 -12.668 -4.695 1.00 0.00 O ATOM 440 CB GLU A 28 22.617 -15.674 -6.133 1.00 0.00 C ATOM 441 CG GLU A 28 24.074 -15.286 -5.898 1.00 0.00 C ATOM 442 CD GLU A 28 24.989 -16.126 -6.782 1.00 0.00 C ATOM 443 OE1 GLU A 28 24.479 -16.774 -7.682 1.00 0.00 O ATOM 444 OE2 GLU A 28 26.186 -16.110 -6.546 1.00 0.00 O ATOM 0 H GLU A 28 20.180 -15.932 -6.145 1.00 0.00 H new ATOM 0 HA GLU A 28 21.995 -15.067 -4.165 1.00 0.00 H new ATOM 0 HB2 GLU A 28 22.480 -16.740 -5.953 1.00 0.00 H new ATOM 0 HB3 GLU A 28 22.343 -15.488 -7.172 1.00 0.00 H new ATOM 0 HG2 GLU A 28 24.216 -14.228 -6.116 1.00 0.00 H new ATOM 0 HG3 GLU A 28 24.333 -15.433 -4.850 1.00 0.00 H new ATOM 451 N ILE A 29 21.306 -12.910 -6.552 1.00 0.00 N ATOM 452 CA ILE A 29 21.396 -11.503 -6.916 1.00 0.00 C ATOM 453 C ILE A 29 20.688 -10.642 -5.877 1.00 0.00 C ATOM 454 O ILE A 29 21.195 -9.596 -5.474 1.00 0.00 O ATOM 455 CB ILE A 29 20.751 -11.292 -8.282 1.00 0.00 C ATOM 456 CG1 ILE A 29 21.591 -11.991 -9.345 1.00 0.00 C ATOM 457 CG2 ILE A 29 20.676 -9.797 -8.598 1.00 0.00 C ATOM 458 CD1 ILE A 29 20.794 -12.090 -10.645 1.00 0.00 C ATOM 0 H ILE A 29 20.762 -13.482 -7.198 1.00 0.00 H new ATOM 0 HA ILE A 29 22.446 -11.212 -6.956 1.00 0.00 H new ATOM 0 HB ILE A 29 19.743 -11.707 -8.273 1.00 0.00 H new ATOM 0 HG12 ILE A 29 22.515 -11.438 -9.514 1.00 0.00 H new ATOM 0 HG13 ILE A 29 21.873 -12.987 -9.003 1.00 0.00 H new ATOM 0 HG21 ILE A 29 20.214 -9.654 -9.575 1.00 0.00 H new ATOM 0 HG22 ILE A 29 20.079 -9.294 -7.837 1.00 0.00 H new ATOM 0 HG23 ILE A 29 21.681 -9.376 -8.607 1.00 0.00 H new ATOM 0 HD11 ILE A 29 21.396 -12.590 -11.404 1.00 0.00 H new ATOM 0 HD12 ILE A 29 19.883 -12.662 -10.470 1.00 0.00 H new ATOM 0 HD13 ILE A 29 20.534 -11.089 -10.990 1.00 0.00 H new ATOM 470 N GLY A 30 19.512 -11.087 -5.450 1.00 0.00 N ATOM 471 CA GLY A 30 18.747 -10.342 -4.461 1.00 0.00 C ATOM 472 C GLY A 30 19.539 -10.205 -3.168 1.00 0.00 C ATOM 473 O GLY A 30 19.583 -9.132 -2.567 1.00 0.00 O ATOM 0 H GLY A 30 19.072 -11.950 -5.769 1.00 0.00 H new ATOM 0 HA2 GLY A 30 18.502 -9.354 -4.851 1.00 0.00 H new ATOM 0 HA3 GLY A 30 17.803 -10.850 -4.264 1.00 0.00 H new ATOM 477 N ARG A 31 20.167 -11.296 -2.750 1.00 0.00 N ATOM 478 CA ARG A 31 20.960 -11.288 -1.532 1.00 0.00 C ATOM 479 C ARG A 31 22.140 -10.351 -1.671 1.00 0.00 C ATOM 480 O ARG A 31 22.441 -9.571 -0.769 1.00 0.00 O ATOM 481 CB ARG A 31 21.494 -12.687 -1.294 1.00 0.00 C ATOM 482 CG ARG A 31 20.353 -13.619 -0.896 1.00 0.00 C ATOM 483 CD ARG A 31 20.789 -15.053 -1.103 1.00 0.00 C ATOM 484 NE ARG A 31 19.908 -15.963 -0.376 1.00 0.00 N ATOM 485 CZ ARG A 31 20.288 -17.200 -0.066 1.00 0.00 C ATOM 486 NH1 ARG A 31 21.463 -17.635 -0.430 1.00 0.00 N ATOM 487 NH2 ARG A 31 19.483 -17.980 0.604 1.00 0.00 N ATOM 0 H ARG A 31 20.142 -12.193 -3.235 1.00 0.00 H new ATOM 0 HA ARG A 31 20.332 -10.957 -0.705 1.00 0.00 H new ATOM 0 HB2 ARG A 31 21.980 -13.058 -2.196 1.00 0.00 H new ATOM 0 HB3 ARG A 31 22.250 -12.668 -0.509 1.00 0.00 H new ATOM 0 HG2 ARG A 31 20.081 -13.456 0.147 1.00 0.00 H new ATOM 0 HG3 ARG A 31 19.467 -13.405 -1.494 1.00 0.00 H new ATOM 0 HD2 ARG A 31 20.775 -15.294 -2.166 1.00 0.00 H new ATOM 0 HD3 ARG A 31 21.816 -15.180 -0.761 1.00 0.00 H new ATOM 0 HE ARG A 31 18.980 -15.643 -0.099 1.00 0.00 H new ATOM 0 HH11 ARG A 31 22.092 -17.026 -0.953 1.00 0.00 H new ATOM 0 HH12 ARG A 31 21.752 -18.584 -0.191 1.00 0.00 H new ATOM 0 HH21 ARG A 31 18.564 -17.641 0.889 1.00 0.00 H new ATOM 0 HH22 ARG A 31 19.773 -18.928 0.842 1.00 0.00 H new ATOM 501 N ALA A 32 22.816 -10.446 -2.806 1.00 0.00 N ATOM 502 CA ALA A 32 23.979 -9.608 -3.039 1.00 0.00 C ATOM 503 C ALA A 32 23.568 -8.141 -3.032 1.00 0.00 C ATOM 504 O ALA A 32 24.185 -7.315 -2.359 1.00 0.00 O ATOM 505 CB ALA A 32 24.625 -9.951 -4.379 1.00 0.00 C ATOM 0 H ALA A 32 22.584 -11.084 -3.567 1.00 0.00 H new ATOM 0 HA ALA A 32 24.702 -9.788 -2.243 1.00 0.00 H new ATOM 0 HB1 ALA A 32 25.495 -9.314 -4.537 1.00 0.00 H new ATOM 0 HB2 ALA A 32 24.936 -10.996 -4.376 1.00 0.00 H new ATOM 0 HB3 ALA A 32 23.906 -9.789 -5.182 1.00 0.00 H new ATOM 511 N ALA A 33 22.503 -7.834 -3.764 1.00 0.00 N ATOM 512 CA ALA A 33 21.991 -6.470 -3.814 1.00 0.00 C ATOM 513 C ALA A 33 21.481 -6.079 -2.439 1.00 0.00 C ATOM 514 O ALA A 33 21.472 -4.905 -2.070 1.00 0.00 O ATOM 515 CB ALA A 33 20.838 -6.377 -4.820 1.00 0.00 C ATOM 0 H ALA A 33 21.981 -8.506 -4.327 1.00 0.00 H new ATOM 0 HA ALA A 33 22.792 -5.799 -4.123 1.00 0.00 H new ATOM 0 HB1 ALA A 33 20.463 -5.354 -4.850 1.00 0.00 H new ATOM 0 HB2 ALA A 33 21.195 -6.661 -5.810 1.00 0.00 H new ATOM 0 HB3 ALA A 33 20.035 -7.049 -4.517 1.00 0.00 H new ATOM 521 N GLY A 34 21.029 -7.083 -1.700 1.00 0.00 N ATOM 522 CA GLY A 34 20.485 -6.848 -0.382 1.00 0.00 C ATOM 523 C GLY A 34 21.487 -6.105 0.495 1.00 0.00 C ATOM 524 O GLY A 34 21.134 -5.153 1.191 1.00 0.00 O ATOM 0 H GLY A 34 21.031 -8.060 -1.994 1.00 0.00 H new ATOM 0 HA2 GLY A 34 19.565 -6.268 -0.462 1.00 0.00 H new ATOM 0 HA3 GLY A 34 20.223 -7.799 0.083 1.00 0.00 H new ATOM 528 N ARG A 35 22.739 -6.548 0.451 1.00 0.00 N ATOM 529 CA ARG A 35 23.792 -5.919 1.241 1.00 0.00 C ATOM 530 C ARG A 35 24.039 -4.499 0.761 1.00 0.00 C ATOM 531 O ARG A 35 24.202 -3.580 1.560 1.00 0.00 O ATOM 532 CB ARG A 35 25.086 -6.733 1.134 1.00 0.00 C ATOM 533 CG ARG A 35 24.757 -8.229 1.151 1.00 0.00 C ATOM 534 CD ARG A 35 23.834 -8.551 2.333 1.00 0.00 C ATOM 535 NE ARG A 35 23.942 -9.959 2.693 1.00 0.00 N ATOM 536 CZ ARG A 35 23.091 -10.514 3.551 1.00 0.00 C ATOM 537 NH1 ARG A 35 22.143 -9.795 4.087 1.00 0.00 N ATOM 538 NH2 ARG A 35 23.206 -11.777 3.858 1.00 0.00 N ATOM 0 H ARG A 35 23.048 -7.335 -0.119 1.00 0.00 H new ATOM 0 HA ARG A 35 23.472 -5.888 2.282 1.00 0.00 H new ATOM 0 HB2 ARG A 35 25.613 -6.477 0.215 1.00 0.00 H new ATOM 0 HB3 ARG A 35 25.751 -6.488 1.962 1.00 0.00 H new ATOM 0 HG2 ARG A 35 24.276 -8.514 0.215 1.00 0.00 H new ATOM 0 HG3 ARG A 35 25.676 -8.811 1.228 1.00 0.00 H new ATOM 0 HD2 ARG A 35 24.098 -7.929 3.188 1.00 0.00 H new ATOM 0 HD3 ARG A 35 22.803 -8.314 2.072 1.00 0.00 H new ATOM 0 HE ARG A 35 24.682 -10.527 2.281 1.00 0.00 H new ATOM 0 HH11 ARG A 35 22.055 -8.807 3.848 1.00 0.00 H new ATOM 0 HH12 ARG A 35 21.490 -10.221 4.745 1.00 0.00 H new ATOM 0 HH21 ARG A 35 23.948 -12.338 3.440 1.00 0.00 H new ATOM 0 HH22 ARG A 35 22.554 -12.203 4.516 1.00 0.00 H new ATOM 552 N THR A 36 24.055 -4.337 -0.553 1.00 0.00 N ATOM 553 CA THR A 36 24.273 -3.034 -1.159 1.00 0.00 C ATOM 554 C THR A 36 23.135 -2.092 -0.791 1.00 0.00 C ATOM 555 O THR A 36 23.353 -0.929 -0.474 1.00 0.00 O ATOM 556 CB THR A 36 24.365 -3.199 -2.684 1.00 0.00 C ATOM 557 OG1 THR A 36 25.648 -3.705 -3.025 1.00 0.00 O ATOM 558 CG2 THR A 36 24.135 -1.860 -3.390 1.00 0.00 C ATOM 0 H THR A 36 23.919 -5.095 -1.222 1.00 0.00 H new ATOM 0 HA THR A 36 25.204 -2.606 -0.788 1.00 0.00 H new ATOM 0 HB THR A 36 23.593 -3.896 -3.009 1.00 0.00 H new ATOM 0 HG1 THR A 36 25.709 -3.813 -3.997 1.00 0.00 H new ATOM 0 HG21 THR A 36 24.205 -2.001 -4.469 1.00 0.00 H new ATOM 0 HG22 THR A 36 23.145 -1.480 -3.137 1.00 0.00 H new ATOM 0 HG23 THR A 36 24.891 -1.144 -3.068 1.00 0.00 H new ATOM 566 N LEU A 37 21.920 -2.595 -0.853 1.00 0.00 N ATOM 567 CA LEU A 37 20.766 -1.784 -0.532 1.00 0.00 C ATOM 568 C LEU A 37 20.710 -1.466 0.954 1.00 0.00 C ATOM 569 O LEU A 37 20.288 -0.385 1.361 1.00 0.00 O ATOM 570 CB LEU A 37 19.506 -2.507 -0.947 1.00 0.00 C ATOM 571 CG LEU A 37 19.432 -2.554 -2.485 1.00 0.00 C ATOM 572 CD1 LEU A 37 18.596 -3.753 -2.933 1.00 0.00 C ATOM 573 CD2 LEU A 37 18.779 -1.272 -3.027 1.00 0.00 C ATOM 0 H LEU A 37 21.707 -3.556 -1.121 1.00 0.00 H new ATOM 0 HA LEU A 37 20.849 -0.843 -1.077 1.00 0.00 H new ATOM 0 HB2 LEU A 37 19.502 -3.518 -0.540 1.00 0.00 H new ATOM 0 HB3 LEU A 37 18.631 -1.997 -0.544 1.00 0.00 H new ATOM 0 HG LEU A 37 20.447 -2.642 -2.873 1.00 0.00 H new ATOM 0 HD11 LEU A 37 18.549 -3.778 -4.022 1.00 0.00 H new ATOM 0 HD12 LEU A 37 19.054 -4.672 -2.568 1.00 0.00 H new ATOM 0 HD13 LEU A 37 17.588 -3.665 -2.529 1.00 0.00 H new ATOM 0 HD21 LEU A 37 18.733 -1.319 -4.115 1.00 0.00 H new ATOM 0 HD22 LEU A 37 17.770 -1.180 -2.625 1.00 0.00 H new ATOM 0 HD23 LEU A 37 19.370 -0.407 -2.726 1.00 0.00 H new ATOM 585 N LEU A 38 21.121 -2.434 1.752 1.00 0.00 N ATOM 586 CA LEU A 38 21.107 -2.289 3.197 1.00 0.00 C ATOM 587 C LEU A 38 21.944 -1.097 3.613 1.00 0.00 C ATOM 588 O LEU A 38 21.565 -0.350 4.501 1.00 0.00 O ATOM 589 CB LEU A 38 21.681 -3.564 3.830 1.00 0.00 C ATOM 590 CG LEU A 38 21.765 -3.430 5.360 1.00 0.00 C ATOM 591 CD1 LEU A 38 20.383 -3.633 5.981 1.00 0.00 C ATOM 592 CD2 LEU A 38 22.735 -4.478 5.906 1.00 0.00 C ATOM 0 H LEU A 38 21.470 -3.334 1.422 1.00 0.00 H new ATOM 0 HA LEU A 38 20.082 -2.132 3.534 1.00 0.00 H new ATOM 0 HB2 LEU A 38 21.055 -4.417 3.570 1.00 0.00 H new ATOM 0 HB3 LEU A 38 22.673 -3.761 3.424 1.00 0.00 H new ATOM 0 HG LEU A 38 22.122 -2.432 5.615 1.00 0.00 H new ATOM 0 HD11 LEU A 38 20.453 -3.536 7.064 1.00 0.00 H new ATOM 0 HD12 LEU A 38 19.696 -2.881 5.593 1.00 0.00 H new ATOM 0 HD13 LEU A 38 20.013 -4.627 5.729 1.00 0.00 H new ATOM 0 HD21 LEU A 38 22.797 -4.386 6.990 1.00 0.00 H new ATOM 0 HD22 LEU A 38 22.378 -5.475 5.646 1.00 0.00 H new ATOM 0 HD23 LEU A 38 23.722 -4.321 5.471 1.00 0.00 H new ATOM 604 N GLU A 39 23.087 -0.930 2.995 1.00 0.00 N ATOM 605 CA GLU A 39 23.946 0.187 3.339 1.00 0.00 C ATOM 606 C GLU A 39 23.372 1.484 2.771 1.00 0.00 C ATOM 607 O GLU A 39 23.717 2.574 3.227 1.00 0.00 O ATOM 608 CB GLU A 39 25.365 -0.042 2.822 1.00 0.00 C ATOM 609 CG GLU A 39 25.299 -0.398 1.357 1.00 0.00 C ATOM 610 CD GLU A 39 26.696 -0.403 0.746 1.00 0.00 C ATOM 611 OE1 GLU A 39 27.613 -0.847 1.417 1.00 0.00 O ATOM 612 OE2 GLU A 39 26.829 0.041 -0.383 1.00 0.00 O ATOM 0 H GLU A 39 23.445 -1.541 2.261 1.00 0.00 H new ATOM 0 HA GLU A 39 23.991 0.269 4.425 1.00 0.00 H new ATOM 0 HB2 GLU A 39 25.968 0.855 2.965 1.00 0.00 H new ATOM 0 HB3 GLU A 39 25.846 -0.843 3.383 1.00 0.00 H new ATOM 0 HG2 GLU A 39 24.839 -1.379 1.235 1.00 0.00 H new ATOM 0 HG3 GLU A 39 24.668 0.318 0.831 1.00 0.00 H new ATOM 619 N PHE A 40 22.513 1.364 1.750 1.00 0.00 N ATOM 620 CA PHE A 40 21.930 2.544 1.115 1.00 0.00 C ATOM 621 C PHE A 40 21.055 3.331 2.085 1.00 0.00 C ATOM 622 O PHE A 40 21.174 4.550 2.197 1.00 0.00 O ATOM 623 CB PHE A 40 21.097 2.088 -0.101 1.00 0.00 C ATOM 624 CG PHE A 40 21.517 2.824 -1.354 1.00 0.00 C ATOM 625 CD1 PHE A 40 21.594 4.219 -1.345 1.00 0.00 C ATOM 626 CD2 PHE A 40 21.833 2.107 -2.516 1.00 0.00 C ATOM 627 CE1 PHE A 40 21.989 4.904 -2.499 1.00 0.00 C ATOM 628 CE2 PHE A 40 22.228 2.792 -3.671 1.00 0.00 C ATOM 629 CZ PHE A 40 22.306 4.192 -3.663 1.00 0.00 C ATOM 0 H PHE A 40 22.212 0.474 1.354 1.00 0.00 H new ATOM 0 HA PHE A 40 22.736 3.206 0.797 1.00 0.00 H new ATOM 0 HB2 PHE A 40 21.219 1.015 -0.248 1.00 0.00 H new ATOM 0 HB3 PHE A 40 20.039 2.265 0.092 1.00 0.00 H new ATOM 0 HD1 PHE A 40 21.349 4.768 -0.448 1.00 0.00 H new ATOM 0 HD2 PHE A 40 21.772 1.029 -2.520 1.00 0.00 H new ATOM 0 HE1 PHE A 40 22.050 5.982 -2.493 1.00 0.00 H new ATOM 0 HE2 PHE A 40 22.473 2.242 -4.568 1.00 0.00 H new ATOM 0 HZ PHE A 40 22.610 4.721 -4.554 1.00 0.00 H new ATOM 639 N LYS A 41 20.170 2.626 2.767 1.00 0.00 N ATOM 640 CA LYS A 41 19.273 3.271 3.705 1.00 0.00 C ATOM 641 C LYS A 41 20.053 3.874 4.863 1.00 0.00 C ATOM 642 O LYS A 41 19.687 4.919 5.400 1.00 0.00 O ATOM 643 CB LYS A 41 18.257 2.264 4.225 1.00 0.00 C ATOM 644 CG LYS A 41 18.979 1.081 4.900 1.00 0.00 C ATOM 645 CD LYS A 41 18.664 1.056 6.405 1.00 0.00 C ATOM 646 CE LYS A 41 19.343 -0.148 7.056 1.00 0.00 C ATOM 647 NZ LYS A 41 18.424 -1.319 7.001 1.00 0.00 N ATOM 0 H LYS A 41 20.055 1.616 2.689 1.00 0.00 H new ATOM 0 HA LYS A 41 18.748 4.075 3.189 1.00 0.00 H new ATOM 0 HB2 LYS A 41 17.588 2.746 4.938 1.00 0.00 H new ATOM 0 HB3 LYS A 41 17.639 1.902 3.403 1.00 0.00 H new ATOM 0 HG2 LYS A 41 18.666 0.144 4.440 1.00 0.00 H new ATOM 0 HG3 LYS A 41 20.055 1.167 4.748 1.00 0.00 H new ATOM 0 HD2 LYS A 41 19.010 1.977 6.874 1.00 0.00 H new ATOM 0 HD3 LYS A 41 17.586 1.005 6.559 1.00 0.00 H new ATOM 0 HE2 LYS A 41 20.275 -0.378 6.540 1.00 0.00 H new ATOM 0 HE3 LYS A 41 19.599 0.080 8.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 18.862 -2.127 7.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 17.526 -1.078 7.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 18.241 -1.571 6.009 1.00 0.00 H new ATOM 661 N SER A 42 21.130 3.204 5.238 1.00 0.00 N ATOM 662 CA SER A 42 21.968 3.670 6.329 1.00 0.00 C ATOM 663 C SER A 42 22.617 4.994 5.953 1.00 0.00 C ATOM 664 O SER A 42 22.735 5.898 6.780 1.00 0.00 O ATOM 665 CB SER A 42 23.043 2.635 6.632 1.00 0.00 C ATOM 666 OG SER A 42 22.451 1.507 7.262 1.00 0.00 O ATOM 0 H SER A 42 21.444 2.336 4.803 1.00 0.00 H new ATOM 0 HA SER A 42 21.351 3.815 7.216 1.00 0.00 H new ATOM 0 HB2 SER A 42 23.540 2.331 5.711 1.00 0.00 H new ATOM 0 HB3 SER A 42 23.807 3.067 7.279 1.00 0.00 H new ATOM 0 HG SER A 42 23.142 0.840 7.456 1.00 0.00 H new ATOM 672 N ALA A 43 23.021 5.109 4.691 1.00 0.00 N ATOM 673 CA ALA A 43 23.637 6.338 4.206 1.00 0.00 C ATOM 674 C ALA A 43 22.592 7.444 4.120 1.00 0.00 C ATOM 675 O ALA A 43 22.861 8.600 4.445 1.00 0.00 O ATOM 676 CB ALA A 43 24.269 6.106 2.832 1.00 0.00 C ATOM 0 H ALA A 43 22.934 4.372 3.991 1.00 0.00 H new ATOM 0 HA ALA A 43 24.418 6.640 4.904 1.00 0.00 H new ATOM 0 HB1 ALA A 43 24.726 7.031 2.481 1.00 0.00 H new ATOM 0 HB2 ALA A 43 25.032 5.331 2.909 1.00 0.00 H new ATOM 0 HB3 ALA A 43 23.500 5.790 2.127 1.00 0.00 H new ATOM 682 N THR A 44 21.391 7.069 3.693 1.00 0.00 N ATOM 683 CA THR A 44 20.295 8.011 3.572 1.00 0.00 C ATOM 684 C THR A 44 19.917 8.581 4.934 1.00 0.00 C ATOM 685 O THR A 44 19.666 9.778 5.071 1.00 0.00 O ATOM 686 CB THR A 44 19.093 7.292 2.950 1.00 0.00 C ATOM 687 OG1 THR A 44 19.266 7.206 1.543 1.00 0.00 O ATOM 688 CG2 THR A 44 17.799 8.034 3.280 1.00 0.00 C ATOM 0 H THR A 44 21.156 6.113 3.425 1.00 0.00 H new ATOM 0 HA THR A 44 20.603 8.841 2.936 1.00 0.00 H new ATOM 0 HB THR A 44 19.027 6.286 3.365 1.00 0.00 H new ATOM 0 HG1 THR A 44 18.498 6.745 1.147 1.00 0.00 H new ATOM 0 HG21 THR A 44 16.955 7.511 2.831 1.00 0.00 H new ATOM 0 HG22 THR A 44 17.668 8.074 4.361 1.00 0.00 H new ATOM 0 HG23 THR A 44 17.850 9.048 2.883 1.00 0.00 H new ATOM 696 N LYS A 45 19.861 7.713 5.927 1.00 0.00 N ATOM 697 CA LYS A 45 19.492 8.135 7.263 1.00 0.00 C ATOM 698 C LYS A 45 20.420 9.246 7.722 1.00 0.00 C ATOM 699 O LYS A 45 20.039 10.113 8.508 1.00 0.00 O ATOM 700 CB LYS A 45 19.576 6.946 8.222 1.00 0.00 C ATOM 701 CG LYS A 45 19.459 7.424 9.694 1.00 0.00 C ATOM 702 CD LYS A 45 20.851 7.496 10.347 1.00 0.00 C ATOM 703 CE LYS A 45 21.252 6.116 10.871 1.00 0.00 C ATOM 704 NZ LYS A 45 20.461 5.804 12.094 1.00 0.00 N ATOM 0 H LYS A 45 20.065 6.718 5.834 1.00 0.00 H new ATOM 0 HA LYS A 45 18.468 8.510 7.255 1.00 0.00 H new ATOM 0 HB2 LYS A 45 18.780 6.236 8.000 1.00 0.00 H new ATOM 0 HB3 LYS A 45 20.521 6.421 8.078 1.00 0.00 H new ATOM 0 HG2 LYS A 45 18.983 8.404 9.728 1.00 0.00 H new ATOM 0 HG3 LYS A 45 18.822 6.741 10.255 1.00 0.00 H new ATOM 0 HD2 LYS A 45 21.585 7.847 9.621 1.00 0.00 H new ATOM 0 HD3 LYS A 45 20.842 8.217 11.165 1.00 0.00 H new ATOM 0 HE2 LYS A 45 21.075 5.359 10.107 1.00 0.00 H new ATOM 0 HE3 LYS A 45 22.318 6.097 11.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 20.967 5.096 12.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 20.331 6.671 12.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 19.531 5.427 11.819 1.00 0.00 H new ATOM 718 N SER A 46 21.644 9.204 7.232 1.00 0.00 N ATOM 719 CA SER A 46 22.628 10.201 7.599 1.00 0.00 C ATOM 720 C SER A 46 22.358 11.524 6.881 1.00 0.00 C ATOM 721 O SER A 46 22.631 12.597 7.418 1.00 0.00 O ATOM 722 CB SER A 46 24.023 9.685 7.243 1.00 0.00 C ATOM 723 OG SER A 46 24.986 10.319 8.076 1.00 0.00 O ATOM 0 H SER A 46 21.979 8.493 6.582 1.00 0.00 H new ATOM 0 HA SER A 46 22.565 10.382 8.672 1.00 0.00 H new ATOM 0 HB2 SER A 46 24.068 8.604 7.374 1.00 0.00 H new ATOM 0 HB3 SER A 46 24.242 9.888 6.195 1.00 0.00 H new ATOM 0 HG SER A 46 25.881 9.989 7.851 1.00 0.00 H new ATOM 729 N LEU A 47 21.832 11.439 5.662 1.00 0.00 N ATOM 730 CA LEU A 47 21.545 12.633 4.882 1.00 0.00 C ATOM 731 C LEU A 47 20.371 13.397 5.479 1.00 0.00 C ATOM 732 O LEU A 47 20.405 14.622 5.594 1.00 0.00 O ATOM 733 CB LEU A 47 21.212 12.232 3.454 1.00 0.00 C ATOM 734 CG LEU A 47 22.429 11.572 2.788 1.00 0.00 C ATOM 735 CD1 LEU A 47 22.023 11.038 1.407 1.00 0.00 C ATOM 736 CD2 LEU A 47 23.577 12.592 2.635 1.00 0.00 C ATOM 0 H LEU A 47 21.598 10.561 5.198 1.00 0.00 H new ATOM 0 HA LEU A 47 22.423 13.279 4.894 1.00 0.00 H new ATOM 0 HB2 LEU A 47 20.368 11.542 3.450 1.00 0.00 H new ATOM 0 HB3 LEU A 47 20.908 13.110 2.884 1.00 0.00 H new ATOM 0 HG LEU A 47 22.775 10.750 3.414 1.00 0.00 H new ATOM 0 HD11 LEU A 47 22.884 10.569 0.931 1.00 0.00 H new ATOM 0 HD12 LEU A 47 21.226 10.303 1.521 1.00 0.00 H new ATOM 0 HD13 LEU A 47 21.670 11.862 0.787 1.00 0.00 H new ATOM 0 HD21 LEU A 47 24.432 12.109 2.162 1.00 0.00 H new ATOM 0 HD22 LEU A 47 23.243 13.426 2.017 1.00 0.00 H new ATOM 0 HD23 LEU A 47 23.868 12.963 3.618 1.00 0.00 H new ATOM 748 N VAL A 48 19.337 12.662 5.862 1.00 0.00 N ATOM 749 CA VAL A 48 18.155 13.271 6.455 1.00 0.00 C ATOM 750 C VAL A 48 18.441 13.734 7.872 1.00 0.00 C ATOM 751 O VAL A 48 17.831 14.683 8.363 1.00 0.00 O ATOM 752 CB VAL A 48 16.995 12.275 6.461 1.00 0.00 C ATOM 753 CG1 VAL A 48 17.399 11.015 7.230 1.00 0.00 C ATOM 754 CG2 VAL A 48 15.775 12.917 7.128 1.00 0.00 C ATOM 0 H VAL A 48 19.292 11.647 5.773 1.00 0.00 H new ATOM 0 HA VAL A 48 17.881 14.138 5.854 1.00 0.00 H new ATOM 0 HB VAL A 48 16.747 12.003 5.435 1.00 0.00 H new ATOM 0 HG11 VAL A 48 16.569 10.308 7.232 1.00 0.00 H new ATOM 0 HG12 VAL A 48 18.264 10.558 6.750 1.00 0.00 H new ATOM 0 HG13 VAL A 48 17.651 11.281 8.257 1.00 0.00 H new ATOM 0 HG21 VAL A 48 14.947 12.208 7.133 1.00 0.00 H new ATOM 0 HG22 VAL A 48 16.023 13.192 8.153 1.00 0.00 H new ATOM 0 HG23 VAL A 48 15.485 13.809 6.573 1.00 0.00 H new ATOM 764 N SER A 49 19.364 13.050 8.528 1.00 0.00 N ATOM 765 CA SER A 49 19.714 13.391 9.893 1.00 0.00 C ATOM 766 C SER A 49 20.247 14.818 9.973 1.00 0.00 C ATOM 767 O SER A 49 19.884 15.578 10.871 1.00 0.00 O ATOM 768 CB SER A 49 20.765 12.417 10.418 1.00 0.00 C ATOM 769 OG SER A 49 21.344 12.944 11.605 1.00 0.00 O ATOM 0 H SER A 49 19.880 12.261 8.139 1.00 0.00 H new ATOM 0 HA SER A 49 18.816 13.321 10.507 1.00 0.00 H new ATOM 0 HB2 SER A 49 20.310 11.448 10.621 1.00 0.00 H new ATOM 0 HB3 SER A 49 21.536 12.255 9.665 1.00 0.00 H new ATOM 0 HG SER A 49 22.018 12.320 11.945 1.00 0.00 H new ATOM 775 N GLY A 50 21.111 15.174 9.027 1.00 0.00 N ATOM 776 CA GLY A 50 21.694 16.514 8.991 1.00 0.00 C ATOM 777 C GLY A 50 23.100 16.484 8.399 1.00 0.00 C ATOM 778 O GLY A 50 24.006 17.154 8.894 1.00 0.00 O ATOM 0 H GLY A 50 21.423 14.557 8.277 1.00 0.00 H new ATOM 0 HA2 GLY A 50 21.060 17.174 8.399 1.00 0.00 H new ATOM 0 HA3 GLY A 50 21.729 16.926 9.999 1.00 0.00 H new ATOM 782 N ASP A 51 23.275 15.700 7.335 1.00 0.00 N ATOM 783 CA ASP A 51 24.577 15.581 6.670 1.00 0.00 C ATOM 784 C ASP A 51 24.456 15.902 5.183 1.00 0.00 C ATOM 785 O ASP A 51 23.903 15.117 4.413 1.00 0.00 O ATOM 786 CB ASP A 51 25.119 14.170 6.840 1.00 0.00 C ATOM 787 CG ASP A 51 26.556 14.097 6.336 1.00 0.00 C ATOM 788 OD1 ASP A 51 27.010 15.071 5.759 1.00 0.00 O ATOM 789 OD2 ASP A 51 27.181 13.068 6.534 1.00 0.00 O ATOM 0 H ASP A 51 22.535 15.138 6.914 1.00 0.00 H new ATOM 0 HA ASP A 51 25.262 16.294 7.129 1.00 0.00 H new ATOM 0 HB2 ASP A 51 25.078 13.880 7.890 1.00 0.00 H new ATOM 0 HB3 ASP A 51 24.496 13.464 6.290 1.00 0.00 H new ATOM 794 N GLU A 52 24.980 17.057 4.786 1.00 0.00 N ATOM 795 CA GLU A 52 24.928 17.469 3.390 1.00 0.00 C ATOM 796 C GLU A 52 25.739 16.516 2.518 1.00 0.00 C ATOM 797 O GLU A 52 26.914 16.344 2.797 1.00 0.00 O ATOM 798 CB GLU A 52 25.480 18.886 3.249 1.00 0.00 C ATOM 799 CG GLU A 52 24.567 19.877 3.976 1.00 0.00 C ATOM 800 CD GLU A 52 23.208 19.946 3.288 1.00 0.00 C ATOM 801 OE1 GLU A 52 23.134 19.573 2.128 1.00 0.00 O ATOM 802 OE2 GLU A 52 22.261 20.370 3.929 1.00 0.00 O ATOM 0 H GLU A 52 25.443 17.720 5.408 1.00 0.00 H new ATOM 0 HA GLU A 52 23.889 17.447 3.061 1.00 0.00 H new ATOM 0 HB2 GLU A 52 26.487 18.936 3.663 1.00 0.00 H new ATOM 0 HB3 GLU A 52 25.555 19.153 2.195 1.00 0.00 H new ATOM 0 HG2 GLU A 52 24.441 19.572 5.015 1.00 0.00 H new ATOM 0 HG3 GLU A 52 25.027 20.865 3.988 1.00 0.00 H new TER 809 GLU A 52