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 Set 1.1: A 1 MET N :NH3+ -125:sc= -0.289 (180deg=-0.492) USER MOD Set 1.2: A 4 ASN :FLIP amide:sc= -0.193 F(o=-9!,f=-0.48) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) 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+ -165:sc= 0 (180deg=-0.149) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ -179:sc= -0.649 (180deg=-0.649) USER MOD Single : A 42 SER OG : rot 87:sc=0.000998 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ -126:sc= 0 (180deg=-0.0508) 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 -10.087 -15.341 -17.703 1.00 0.00 N ATOM 2 CA MET A 1 -9.148 -15.662 -18.811 1.00 0.00 C ATOM 3 C MET A 1 -7.722 -15.696 -18.274 1.00 0.00 C ATOM 4 O MET A 1 -7.401 -16.490 -17.390 1.00 0.00 O ATOM 5 CB MET A 1 -9.278 -14.607 -19.902 1.00 0.00 C ATOM 6 CG MET A 1 -10.644 -14.717 -20.556 1.00 0.00 C ATOM 7 SD MET A 1 -10.813 -13.454 -21.842 1.00 0.00 S ATOM 8 CE MET A 1 -10.090 -14.406 -23.201 1.00 0.00 C ATOM 0 H1 MET A 1 -10.818 -16.079 -17.642 1.00 0.00 H new ATOM 0 H2 MET A 1 -9.563 -15.298 -16.806 1.00 0.00 H new ATOM 0 H3 MET A 1 -10.538 -14.422 -17.885 1.00 0.00 H new ATOM 0 HA MET A 1 -9.389 -16.639 -19.231 1.00 0.00 H new ATOM 0 HB2 MET A 1 -9.146 -13.612 -19.477 1.00 0.00 H new ATOM 0 HB3 MET A 1 -8.495 -14.742 -20.648 1.00 0.00 H new ATOM 0 HG2 MET A 1 -10.771 -15.709 -20.989 1.00 0.00 H new ATOM 0 HG3 MET A 1 -11.427 -14.594 -19.807 1.00 0.00 H new ATOM 0 HE1 MET A 1 -10.095 -13.804 -24.110 1.00 0.00 H new ATOM 0 HE2 MET A 1 -9.064 -14.677 -22.950 1.00 0.00 H new ATOM 0 HE3 MET A 1 -10.675 -15.311 -23.362 1.00 0.00 H new ATOM 20 N PHE A 2 -6.867 -14.832 -18.813 1.00 0.00 N ATOM 21 CA PHE A 2 -5.480 -14.768 -18.387 1.00 0.00 C ATOM 22 C PHE A 2 -5.335 -13.883 -17.159 1.00 0.00 C ATOM 23 O PHE A 2 -4.237 -13.710 -16.630 1.00 0.00 O ATOM 24 CB PHE A 2 -4.633 -14.212 -19.512 1.00 0.00 C ATOM 25 CG PHE A 2 -4.638 -15.179 -20.670 1.00 0.00 C ATOM 26 CD1 PHE A 2 -5.639 -15.098 -21.645 1.00 0.00 C ATOM 27 CD2 PHE A 2 -3.642 -16.156 -20.770 1.00 0.00 C ATOM 28 CE1 PHE A 2 -5.645 -15.994 -22.720 1.00 0.00 C ATOM 29 CE2 PHE A 2 -3.646 -17.053 -21.846 1.00 0.00 C ATOM 30 CZ PHE A 2 -4.647 -16.971 -22.822 1.00 0.00 C ATOM 0 H PHE A 2 -7.114 -14.167 -19.546 1.00 0.00 H new ATOM 0 HA PHE A 2 -5.146 -15.774 -18.133 1.00 0.00 H new ATOM 0 HB2 PHE A 2 -5.022 -13.245 -19.830 1.00 0.00 H new ATOM 0 HB3 PHE A 2 -3.613 -14.047 -19.166 1.00 0.00 H new ATOM 0 HD1 PHE A 2 -6.408 -14.343 -21.568 1.00 0.00 H new ATOM 0 HD2 PHE A 2 -2.870 -16.219 -20.018 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -6.419 -15.932 -23.471 1.00 0.00 H new ATOM 0 HE2 PHE A 2 -2.877 -17.808 -21.923 1.00 0.00 H new ATOM 0 HZ PHE A 2 -4.649 -17.661 -23.653 1.00 0.00 H new ATOM 40 N SER A 3 -6.451 -13.314 -16.711 1.00 0.00 N ATOM 41 CA SER A 3 -6.446 -12.439 -15.538 1.00 0.00 C ATOM 42 C SER A 3 -6.986 -13.180 -14.315 1.00 0.00 C ATOM 43 O SER A 3 -6.681 -12.823 -13.176 1.00 0.00 O ATOM 44 CB SER A 3 -7.288 -11.198 -15.824 1.00 0.00 C ATOM 45 OG SER A 3 -6.487 -10.230 -16.490 1.00 0.00 O ATOM 0 H SER A 3 -7.368 -13.441 -17.139 1.00 0.00 H new ATOM 0 HA SER A 3 -5.421 -12.135 -15.325 1.00 0.00 H new ATOM 0 HB2 SER A 3 -8.148 -11.462 -16.440 1.00 0.00 H new ATOM 0 HB3 SER A 3 -7.678 -10.786 -14.893 1.00 0.00 H new ATOM 0 HG SER A 3 -7.025 -9.433 -16.677 1.00 0.00 H new ATOM 51 N ASN A 4 -7.789 -14.211 -14.562 1.00 0.00 N ATOM 52 CA ASN A 4 -8.369 -14.999 -13.478 1.00 0.00 C ATOM 53 C ASN A 4 -7.346 -15.972 -12.910 1.00 0.00 C ATOM 54 O ASN A 4 -7.543 -16.539 -11.835 1.00 0.00 O ATOM 55 CB ASN A 4 -9.597 -15.761 -13.978 1.00 0.00 C ATOM 56 CG ASN A 4 -10.791 -14.816 -14.097 1.00 0.00 C ATOM 57 OD1 ASN A 4 -11.223 -14.467 -15.278 1.00 0.00 O flip ATOM 58 ND2 ASN A 4 -11.344 -14.383 -13.086 1.00 0.00 N flip ATOM 0 H ASN A 4 -8.052 -14.519 -15.498 1.00 0.00 H new ATOM 0 HA ASN A 4 -8.673 -14.317 -12.684 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -9.384 -16.213 -14.947 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -9.834 -16.574 -13.292 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -11.006 -14.656 -12.163 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -12.140 -13.751 -13.171 1.00 0.00 H new ATOM 65 N ILE A 5 -6.253 -16.164 -13.636 1.00 0.00 N ATOM 66 CA ILE A 5 -5.213 -17.071 -13.193 1.00 0.00 C ATOM 67 C ILE A 5 -4.600 -16.591 -11.888 1.00 0.00 C ATOM 68 O ILE A 5 -4.365 -17.387 -10.986 1.00 0.00 O ATOM 69 CB ILE A 5 -4.125 -17.181 -14.262 1.00 0.00 C ATOM 70 CG1 ILE A 5 -3.604 -15.781 -14.610 1.00 0.00 C ATOM 71 CG2 ILE A 5 -4.703 -17.842 -15.511 1.00 0.00 C ATOM 72 CD1 ILE A 5 -2.694 -15.838 -15.846 1.00 0.00 C ATOM 0 H ILE A 5 -6.068 -15.705 -14.528 1.00 0.00 H new ATOM 0 HA ILE A 5 -5.661 -18.051 -13.029 1.00 0.00 H new ATOM 0 HB ILE A 5 -3.302 -17.786 -13.882 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -4.443 -15.111 -14.799 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -3.053 -15.371 -13.764 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -3.928 -17.920 -16.273 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -5.067 -18.838 -15.260 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -5.527 -17.240 -15.893 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -2.333 -14.836 -16.079 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -1.845 -16.491 -15.643 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -3.257 -16.227 -16.694 1.00 0.00 H new ATOM 84 N GLY A 6 -4.339 -15.293 -11.803 1.00 0.00 N ATOM 85 CA GLY A 6 -3.737 -14.713 -10.601 1.00 0.00 C ATOM 86 C GLY A 6 -2.289 -15.179 -10.456 1.00 0.00 C ATOM 87 O GLY A 6 -1.540 -15.205 -11.431 1.00 0.00 O ATOM 0 H GLY A 6 -4.532 -14.621 -12.546 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -3.772 -13.625 -10.657 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -4.310 -15.006 -9.721 1.00 0.00 H new ATOM 91 N ILE A 7 -1.915 -15.569 -9.241 1.00 0.00 N ATOM 92 CA ILE A 7 -0.570 -16.072 -8.980 1.00 0.00 C ATOM 93 C ILE A 7 -0.400 -17.454 -9.604 1.00 0.00 C ATOM 94 O ILE A 7 0.618 -17.719 -10.237 1.00 0.00 O ATOM 95 CB ILE A 7 -0.314 -16.106 -7.447 1.00 0.00 C ATOM 96 CG1 ILE A 7 0.427 -14.835 -7.010 1.00 0.00 C ATOM 97 CG2 ILE A 7 0.524 -17.328 -7.039 1.00 0.00 C ATOM 98 CD1 ILE A 7 -0.266 -13.592 -7.587 1.00 0.00 C ATOM 0 H ILE A 7 -2.523 -15.547 -8.423 1.00 0.00 H new ATOM 0 HA ILE A 7 0.165 -15.408 -9.434 1.00 0.00 H new ATOM 0 HB ILE A 7 -1.285 -16.168 -6.957 1.00 0.00 H new ATOM 0 HG12 ILE A 7 0.451 -14.775 -5.922 1.00 0.00 H new ATOM 0 HG13 ILE A 7 1.462 -14.874 -7.350 1.00 0.00 H new ATOM 0 HG21 ILE A 7 0.682 -17.317 -5.961 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -0.003 -18.240 -7.319 1.00 0.00 H new ATOM 0 HG23 ILE A 7 1.488 -17.294 -7.547 1.00 0.00 H new ATOM 0 HD11 ILE A 7 0.269 -12.697 -7.270 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -0.266 -13.648 -8.676 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -1.293 -13.548 -7.226 1.00 0.00 H new ATOM 110 N PRO A 8 -1.354 -18.337 -9.448 1.00 0.00 N ATOM 111 CA PRO A 8 -1.257 -19.698 -10.037 1.00 0.00 C ATOM 112 C PRO A 8 -0.663 -19.664 -11.442 1.00 0.00 C ATOM 113 O PRO A 8 0.002 -20.609 -11.864 1.00 0.00 O ATOM 114 CB PRO A 8 -2.708 -20.174 -10.054 1.00 0.00 C ATOM 115 CG PRO A 8 -3.366 -19.478 -8.903 1.00 0.00 C ATOM 116 CD PRO A 8 -2.611 -18.162 -8.683 1.00 0.00 C ATOM 0 HA PRO A 8 -0.598 -20.358 -9.473 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -3.194 -19.921 -10.996 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -2.768 -21.257 -9.945 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -4.418 -19.288 -9.118 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -3.331 -20.097 -8.007 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -3.183 -17.308 -9.046 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -2.413 -17.987 -7.625 1.00 0.00 H new ATOM 124 N GLY A 9 -0.891 -18.563 -12.153 1.00 0.00 N ATOM 125 CA GLY A 9 -0.360 -18.409 -13.503 1.00 0.00 C ATOM 126 C GLY A 9 1.038 -17.801 -13.459 1.00 0.00 C ATOM 127 O GLY A 9 1.847 -18.009 -14.367 1.00 0.00 O ATOM 0 H GLY A 9 -1.437 -17.769 -11.819 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -0.326 -19.379 -14.000 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -1.022 -17.773 -14.090 1.00 0.00 H new ATOM 131 N LEU A 10 1.319 -17.046 -12.395 1.00 0.00 N ATOM 132 CA LEU A 10 2.617 -16.415 -12.246 1.00 0.00 C ATOM 133 C LEU A 10 3.717 -17.464 -12.168 1.00 0.00 C ATOM 134 O LEU A 10 4.797 -17.287 -12.733 1.00 0.00 O ATOM 135 CB LEU A 10 2.642 -15.543 -10.989 1.00 0.00 C ATOM 136 CG LEU A 10 3.998 -14.791 -10.887 1.00 0.00 C ATOM 137 CD1 LEU A 10 3.769 -13.376 -10.345 1.00 0.00 C ATOM 138 CD2 LEU A 10 4.952 -15.530 -9.936 1.00 0.00 C ATOM 0 H LEU A 10 0.666 -16.862 -11.633 1.00 0.00 H new ATOM 0 HA LEU A 10 2.793 -15.787 -13.119 1.00 0.00 H new ATOM 0 HB2 LEU A 10 1.821 -14.826 -11.018 1.00 0.00 H new ATOM 0 HB3 LEU A 10 2.493 -16.162 -10.104 1.00 0.00 H new ATOM 0 HG LEU A 10 4.439 -14.745 -11.883 1.00 0.00 H new ATOM 0 HD11 LEU A 10 4.723 -12.854 -10.276 1.00 0.00 H new ATOM 0 HD12 LEU A 10 3.106 -12.832 -11.017 1.00 0.00 H new ATOM 0 HD13 LEU A 10 3.315 -13.434 -9.356 1.00 0.00 H new ATOM 0 HD21 LEU A 10 5.897 -14.990 -9.876 1.00 0.00 H new ATOM 0 HD22 LEU A 10 4.504 -15.588 -8.944 1.00 0.00 H new ATOM 0 HD23 LEU A 10 5.133 -16.537 -10.312 1.00 0.00 H new ATOM 150 N ILE A 11 3.442 -18.554 -11.460 1.00 0.00 N ATOM 151 CA ILE A 11 4.422 -19.620 -11.304 1.00 0.00 C ATOM 152 C ILE A 11 4.791 -20.195 -12.659 1.00 0.00 C ATOM 153 O ILE A 11 5.962 -20.400 -12.934 1.00 0.00 O ATOM 154 CB ILE A 11 3.844 -20.730 -10.390 1.00 0.00 C ATOM 155 CG1 ILE A 11 3.976 -20.322 -8.918 1.00 0.00 C ATOM 156 CG2 ILE A 11 4.594 -22.055 -10.609 1.00 0.00 C ATOM 157 CD1 ILE A 11 3.440 -18.906 -8.716 1.00 0.00 C ATOM 0 H ILE A 11 2.553 -18.721 -10.988 1.00 0.00 H new ATOM 0 HA ILE A 11 5.322 -19.213 -10.844 1.00 0.00 H new ATOM 0 HB ILE A 11 2.792 -20.864 -10.643 1.00 0.00 H new ATOM 0 HG12 ILE A 11 3.426 -21.021 -8.288 1.00 0.00 H new ATOM 0 HG13 ILE A 11 5.021 -20.371 -8.611 1.00 0.00 H new ATOM 0 HG21 ILE A 11 4.174 -22.822 -9.959 1.00 0.00 H new ATOM 0 HG22 ILE A 11 4.490 -22.364 -11.649 1.00 0.00 H new ATOM 0 HG23 ILE A 11 5.650 -21.919 -10.375 1.00 0.00 H new ATOM 0 HD11 ILE A 11 3.538 -18.626 -7.667 1.00 0.00 H new ATOM 0 HD12 ILE A 11 4.009 -18.210 -9.332 1.00 0.00 H new ATOM 0 HD13 ILE A 11 2.389 -18.870 -9.004 1.00 0.00 H new ATOM 169 N LEU A 12 3.806 -20.442 -13.500 1.00 0.00 N ATOM 170 CA LEU A 12 4.078 -20.999 -14.807 1.00 0.00 C ATOM 171 C LEU A 12 5.012 -20.076 -15.571 1.00 0.00 C ATOM 172 O LEU A 12 5.995 -20.530 -16.139 1.00 0.00 O ATOM 173 CB LEU A 12 2.771 -21.152 -15.572 1.00 0.00 C ATOM 174 CG LEU A 12 3.015 -21.868 -16.907 1.00 0.00 C ATOM 175 CD1 LEU A 12 3.475 -23.317 -16.659 1.00 0.00 C ATOM 176 CD2 LEU A 12 1.712 -21.860 -17.717 1.00 0.00 C ATOM 0 H LEU A 12 2.820 -20.267 -13.303 1.00 0.00 H new ATOM 0 HA LEU A 12 4.550 -21.975 -14.695 1.00 0.00 H new ATOM 0 HB2 LEU A 12 2.056 -21.717 -14.974 1.00 0.00 H new ATOM 0 HB3 LEU A 12 2.331 -20.171 -15.753 1.00 0.00 H new ATOM 0 HG LEU A 12 3.798 -21.351 -17.462 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.645 -23.813 -17.614 1.00 0.00 H new ATOM 0 HD12 LEU A 12 4.401 -23.311 -16.084 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.706 -23.853 -16.103 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.872 -22.366 -18.669 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.933 -22.377 -17.158 1.00 0.00 H new ATOM 0 HD23 LEU A 12 1.404 -20.831 -17.901 1.00 0.00 H new ATOM 188 N ILE A 13 4.726 -18.782 -15.537 1.00 0.00 N ATOM 189 CA ILE A 13 5.581 -17.803 -16.199 1.00 0.00 C ATOM 190 C ILE A 13 6.941 -17.748 -15.529 1.00 0.00 C ATOM 191 O ILE A 13 7.966 -17.621 -16.195 1.00 0.00 O ATOM 192 CB ILE A 13 4.921 -16.410 -16.164 1.00 0.00 C ATOM 193 CG1 ILE A 13 3.842 -16.316 -17.272 1.00 0.00 C ATOM 194 CG2 ILE A 13 5.990 -15.311 -16.334 1.00 0.00 C ATOM 195 CD1 ILE A 13 4.455 -15.897 -18.619 1.00 0.00 C ATOM 0 H ILE A 13 3.915 -18.386 -15.062 1.00 0.00 H new ATOM 0 HA ILE A 13 5.714 -18.107 -17.237 1.00 0.00 H new ATOM 0 HB ILE A 13 4.437 -16.262 -15.198 1.00 0.00 H new ATOM 0 HG12 ILE A 13 3.345 -17.280 -17.381 1.00 0.00 H new ATOM 0 HG13 ILE A 13 3.079 -15.596 -16.978 1.00 0.00 H new ATOM 0 HG21 ILE A 13 5.512 -14.332 -16.308 1.00 0.00 H new ATOM 0 HG22 ILE A 13 6.717 -15.382 -15.525 1.00 0.00 H new ATOM 0 HG23 ILE A 13 6.497 -15.442 -17.290 1.00 0.00 H new ATOM 0 HD11 ILE A 13 3.671 -15.841 -19.374 1.00 0.00 H new ATOM 0 HD12 ILE A 13 4.929 -14.921 -18.515 1.00 0.00 H new ATOM 0 HD13 ILE A 13 5.200 -16.632 -18.924 1.00 0.00 H new ATOM 207 N PHE A 14 6.939 -17.795 -14.213 1.00 0.00 N ATOM 208 CA PHE A 14 8.174 -17.693 -13.479 1.00 0.00 C ATOM 209 C PHE A 14 9.134 -18.792 -13.912 1.00 0.00 C ATOM 210 O PHE A 14 10.326 -18.551 -14.096 1.00 0.00 O ATOM 211 CB PHE A 14 7.882 -17.791 -11.982 1.00 0.00 C ATOM 212 CG PHE A 14 8.975 -17.107 -11.188 1.00 0.00 C ATOM 213 CD1 PHE A 14 9.174 -15.728 -11.330 1.00 0.00 C ATOM 214 CD2 PHE A 14 9.787 -17.844 -10.321 1.00 0.00 C ATOM 215 CE1 PHE A 14 10.185 -15.086 -10.607 1.00 0.00 C ATOM 216 CE2 PHE A 14 10.801 -17.202 -9.598 1.00 0.00 C ATOM 217 CZ PHE A 14 11.000 -15.824 -9.742 1.00 0.00 C ATOM 0 H PHE A 14 6.103 -17.902 -13.638 1.00 0.00 H new ATOM 0 HA PHE A 14 8.643 -16.731 -13.687 1.00 0.00 H new ATOM 0 HB2 PHE A 14 6.920 -17.329 -11.761 1.00 0.00 H new ATOM 0 HB3 PHE A 14 7.809 -18.838 -11.686 1.00 0.00 H new ATOM 0 HD1 PHE A 14 8.546 -15.159 -11.999 1.00 0.00 H new ATOM 0 HD2 PHE A 14 9.633 -18.907 -10.209 1.00 0.00 H new ATOM 0 HE1 PHE A 14 10.336 -14.022 -10.716 1.00 0.00 H new ATOM 0 HE2 PHE A 14 11.430 -17.771 -8.929 1.00 0.00 H new ATOM 0 HZ PHE A 14 11.783 -15.330 -9.185 1.00 0.00 H new ATOM 227 N VAL A 15 8.601 -19.990 -14.076 1.00 0.00 N ATOM 228 CA VAL A 15 9.401 -21.136 -14.486 1.00 0.00 C ATOM 229 C VAL A 15 10.111 -20.836 -15.800 1.00 0.00 C ATOM 230 O VAL A 15 11.283 -21.164 -15.973 1.00 0.00 O ATOM 231 CB VAL A 15 8.492 -22.356 -14.661 1.00 0.00 C ATOM 232 CG1 VAL A 15 9.360 -23.607 -14.867 1.00 0.00 C ATOM 233 CG2 VAL A 15 7.576 -22.517 -13.421 1.00 0.00 C ATOM 0 H VAL A 15 7.613 -20.197 -13.931 1.00 0.00 H new ATOM 0 HA VAL A 15 10.147 -21.342 -13.719 1.00 0.00 H new ATOM 0 HB VAL A 15 7.856 -22.220 -15.536 1.00 0.00 H new ATOM 0 HG11 VAL A 15 8.718 -24.479 -14.992 1.00 0.00 H new ATOM 0 HG12 VAL A 15 9.976 -23.480 -15.757 1.00 0.00 H new ATOM 0 HG13 VAL A 15 10.002 -23.751 -13.998 1.00 0.00 H new ATOM 0 HG21 VAL A 15 6.933 -23.387 -13.554 1.00 0.00 H new ATOM 0 HG22 VAL A 15 8.190 -22.652 -12.530 1.00 0.00 H new ATOM 0 HG23 VAL A 15 6.960 -21.625 -13.305 1.00 0.00 H new ATOM 243 N ILE A 16 9.392 -20.202 -16.717 1.00 0.00 N ATOM 244 CA ILE A 16 9.967 -19.851 -18.020 1.00 0.00 C ATOM 245 C ILE A 16 11.250 -19.065 -17.823 1.00 0.00 C ATOM 246 O ILE A 16 12.167 -19.142 -18.632 1.00 0.00 O ATOM 247 CB ILE A 16 8.983 -19.023 -18.837 1.00 0.00 C ATOM 248 CG1 ILE A 16 7.624 -19.716 -18.827 1.00 0.00 C ATOM 249 CG2 ILE A 16 9.488 -18.877 -20.275 1.00 0.00 C ATOM 250 CD1 ILE A 16 7.750 -21.170 -19.300 1.00 0.00 C ATOM 0 H ILE A 16 8.420 -19.920 -16.591 1.00 0.00 H new ATOM 0 HA ILE A 16 10.183 -20.773 -18.560 1.00 0.00 H new ATOM 0 HB ILE A 16 8.890 -18.029 -18.400 1.00 0.00 H new ATOM 0 HG12 ILE A 16 7.206 -19.691 -17.821 1.00 0.00 H new ATOM 0 HG13 ILE A 16 6.931 -19.177 -19.474 1.00 0.00 H new ATOM 0 HG21 ILE A 16 8.778 -18.284 -20.851 1.00 0.00 H new ATOM 0 HG22 ILE A 16 10.458 -18.380 -20.271 1.00 0.00 H new ATOM 0 HG23 ILE A 16 9.588 -19.864 -20.727 1.00 0.00 H new ATOM 0 HD11 ILE A 16 6.769 -21.644 -19.285 1.00 0.00 H new ATOM 0 HD12 ILE A 16 8.146 -21.189 -20.315 1.00 0.00 H new ATOM 0 HD13 ILE A 16 8.425 -21.711 -18.637 1.00 0.00 H new ATOM 262 N ALA A 17 11.300 -18.309 -16.744 1.00 0.00 N ATOM 263 CA ALA A 17 12.487 -17.516 -16.428 1.00 0.00 C ATOM 264 C ALA A 17 13.551 -18.404 -15.772 1.00 0.00 C ATOM 265 O ALA A 17 14.738 -18.215 -15.966 1.00 0.00 O ATOM 266 CB ALA A 17 12.097 -16.350 -15.498 1.00 0.00 C ATOM 0 H ALA A 17 10.540 -18.222 -16.070 1.00 0.00 H new ATOM 0 HA ALA A 17 12.905 -17.104 -17.347 1.00 0.00 H new ATOM 0 HB1 ALA A 17 12.983 -15.760 -15.263 1.00 0.00 H new ATOM 0 HB2 ALA A 17 11.361 -15.718 -15.996 1.00 0.00 H new ATOM 0 HB3 ALA A 17 11.671 -16.747 -14.577 1.00 0.00 H new ATOM 272 N LEU A 18 13.119 -19.363 -14.984 1.00 0.00 N ATOM 273 CA LEU A 18 14.049 -20.241 -14.302 1.00 0.00 C ATOM 274 C LEU A 18 14.846 -21.081 -15.280 1.00 0.00 C ATOM 275 O LEU A 18 16.048 -21.282 -15.100 1.00 0.00 O ATOM 276 CB LEU A 18 13.265 -21.149 -13.362 1.00 0.00 C ATOM 277 CG LEU A 18 12.504 -20.337 -12.300 1.00 0.00 C ATOM 278 CD1 LEU A 18 12.099 -21.261 -11.172 1.00 0.00 C ATOM 279 CD2 LEU A 18 13.367 -19.224 -11.732 1.00 0.00 C ATOM 0 H LEU A 18 12.135 -19.556 -14.799 1.00 0.00 H new ATOM 0 HA LEU A 18 14.757 -19.630 -13.742 1.00 0.00 H new ATOM 0 HB2 LEU A 18 12.560 -21.749 -13.938 1.00 0.00 H new ATOM 0 HB3 LEU A 18 13.947 -21.843 -12.871 1.00 0.00 H new ATOM 0 HG LEU A 18 11.629 -19.891 -12.772 1.00 0.00 H new ATOM 0 HD11 LEU A 18 11.559 -20.694 -10.414 1.00 0.00 H new ATOM 0 HD12 LEU A 18 11.456 -22.051 -11.561 1.00 0.00 H new ATOM 0 HD13 LEU A 18 12.990 -21.704 -10.727 1.00 0.00 H new ATOM 0 HD21 LEU A 18 12.800 -18.669 -10.985 1.00 0.00 H new ATOM 0 HD22 LEU A 18 14.256 -19.653 -11.269 1.00 0.00 H new ATOM 0 HD23 LEU A 18 13.666 -18.550 -12.535 1.00 0.00 H new ATOM 291 N ILE A 19 14.185 -21.574 -16.304 1.00 0.00 N ATOM 292 CA ILE A 19 14.870 -22.394 -17.286 1.00 0.00 C ATOM 293 C ILE A 19 16.037 -21.625 -17.909 1.00 0.00 C ATOM 294 O ILE A 19 17.113 -22.180 -18.122 1.00 0.00 O ATOM 295 CB ILE A 19 13.881 -22.843 -18.360 1.00 0.00 C ATOM 296 CG1 ILE A 19 14.626 -23.452 -19.546 1.00 0.00 C ATOM 297 CG2 ILE A 19 13.050 -21.653 -18.826 1.00 0.00 C ATOM 298 CD1 ILE A 19 13.626 -24.184 -20.434 1.00 0.00 C ATOM 0 H ILE A 19 13.191 -21.427 -16.480 1.00 0.00 H new ATOM 0 HA ILE A 19 15.277 -23.276 -16.792 1.00 0.00 H new ATOM 0 HB ILE A 19 13.221 -23.599 -17.936 1.00 0.00 H new ATOM 0 HG12 ILE A 19 15.133 -22.672 -20.113 1.00 0.00 H new ATOM 0 HG13 ILE A 19 15.394 -24.141 -19.195 1.00 0.00 H new ATOM 0 HG21 ILE A 19 12.346 -21.978 -19.592 1.00 0.00 H new ATOM 0 HG22 ILE A 19 12.500 -21.240 -17.980 1.00 0.00 H new ATOM 0 HG23 ILE A 19 13.708 -20.889 -19.239 1.00 0.00 H new ATOM 0 HD11 ILE A 19 14.148 -24.623 -21.284 1.00 0.00 H new ATOM 0 HD12 ILE A 19 13.139 -24.973 -19.860 1.00 0.00 H new ATOM 0 HD13 ILE A 19 12.875 -23.480 -20.793 1.00 0.00 H new ATOM 310 N ILE A 20 15.809 -20.350 -18.195 1.00 0.00 N ATOM 311 CA ILE A 20 16.841 -19.505 -18.788 1.00 0.00 C ATOM 312 C ILE A 20 17.747 -18.921 -17.711 1.00 0.00 C ATOM 313 O ILE A 20 18.951 -18.769 -17.921 1.00 0.00 O ATOM 314 CB ILE A 20 16.191 -18.385 -19.611 1.00 0.00 C ATOM 315 CG1 ILE A 20 17.274 -17.394 -20.127 1.00 0.00 C ATOM 316 CG2 ILE A 20 15.142 -17.680 -18.764 1.00 0.00 C ATOM 317 CD1 ILE A 20 17.356 -16.138 -19.254 1.00 0.00 C ATOM 0 H ILE A 20 14.921 -19.877 -18.027 1.00 0.00 H new ATOM 0 HA ILE A 20 17.455 -20.117 -19.449 1.00 0.00 H new ATOM 0 HB ILE A 20 15.697 -18.810 -20.485 1.00 0.00 H new ATOM 0 HG12 ILE A 20 18.244 -17.891 -20.142 1.00 0.00 H new ATOM 0 HG13 ILE A 20 17.046 -17.109 -21.154 1.00 0.00 H new ATOM 0 HG21 ILE A 20 14.679 -16.884 -19.347 1.00 0.00 H new ATOM 0 HG22 ILE A 20 14.380 -18.396 -18.458 1.00 0.00 H new ATOM 0 HG23 ILE A 20 15.615 -17.254 -17.879 1.00 0.00 H new ATOM 0 HD11 ILE A 20 18.123 -15.471 -19.647 1.00 0.00 H new ATOM 0 HD12 ILE A 20 16.393 -15.627 -19.260 1.00 0.00 H new ATOM 0 HD13 ILE A 20 17.610 -16.421 -18.232 1.00 0.00 H new ATOM 329 N PHE A 21 17.171 -18.591 -16.551 1.00 0.00 N ATOM 330 CA PHE A 21 17.950 -18.028 -15.452 1.00 0.00 C ATOM 331 C PHE A 21 18.370 -19.129 -14.486 1.00 0.00 C ATOM 332 O PHE A 21 19.531 -19.536 -14.470 1.00 0.00 O ATOM 333 CB PHE A 21 17.144 -16.961 -14.703 1.00 0.00 C ATOM 334 CG PHE A 21 16.894 -15.777 -15.620 1.00 0.00 C ATOM 335 CD1 PHE A 21 17.976 -15.047 -16.140 1.00 0.00 C ATOM 336 CD2 PHE A 21 15.584 -15.422 -15.973 1.00 0.00 C ATOM 337 CE1 PHE A 21 17.743 -13.971 -17.004 1.00 0.00 C ATOM 338 CE2 PHE A 21 15.355 -14.350 -16.838 1.00 0.00 C ATOM 339 CZ PHE A 21 16.433 -13.624 -17.355 1.00 0.00 C ATOM 0 H PHE A 21 16.177 -18.704 -16.353 1.00 0.00 H new ATOM 0 HA PHE A 21 18.840 -17.560 -15.872 1.00 0.00 H new ATOM 0 HB2 PHE A 21 16.196 -17.378 -14.364 1.00 0.00 H new ATOM 0 HB3 PHE A 21 17.686 -16.638 -13.814 1.00 0.00 H new ATOM 0 HD1 PHE A 21 18.987 -15.316 -15.873 1.00 0.00 H new ATOM 0 HD2 PHE A 21 14.749 -15.980 -15.574 1.00 0.00 H new ATOM 0 HE1 PHE A 21 18.575 -13.408 -17.400 1.00 0.00 H new ATOM 0 HE2 PHE A 21 14.344 -14.081 -17.108 1.00 0.00 H new ATOM 0 HZ PHE A 21 16.255 -12.796 -18.025 1.00 0.00 H new ATOM 349 N GLY A 22 17.420 -19.628 -13.689 1.00 0.00 N ATOM 350 CA GLY A 22 17.706 -20.693 -12.739 1.00 0.00 C ATOM 351 C GLY A 22 17.279 -20.287 -11.328 1.00 0.00 C ATOM 352 O GLY A 22 17.434 -19.127 -10.943 1.00 0.00 O ATOM 0 H GLY A 22 16.451 -19.309 -13.687 1.00 0.00 H new ATOM 0 HA2 GLY A 22 17.182 -21.602 -13.035 1.00 0.00 H new ATOM 0 HA3 GLY A 22 18.772 -20.921 -12.750 1.00 0.00 H new ATOM 356 N PRO A 23 16.760 -21.206 -10.550 1.00 0.00 N ATOM 357 CA PRO A 23 16.323 -20.915 -9.155 1.00 0.00 C ATOM 358 C PRO A 23 17.512 -20.704 -8.225 1.00 0.00 C ATOM 359 O PRO A 23 17.367 -20.152 -7.137 1.00 0.00 O ATOM 360 CB PRO A 23 15.518 -22.158 -8.764 1.00 0.00 C ATOM 361 CG PRO A 23 16.108 -23.252 -9.585 1.00 0.00 C ATOM 362 CD PRO A 23 16.532 -22.618 -10.900 1.00 0.00 C ATOM 0 HA PRO A 23 15.743 -19.995 -9.080 1.00 0.00 H new ATOM 0 HB2 PRO A 23 15.605 -22.369 -7.698 1.00 0.00 H new ATOM 0 HB3 PRO A 23 14.457 -22.028 -8.978 1.00 0.00 H new ATOM 0 HG2 PRO A 23 16.961 -23.702 -9.077 1.00 0.00 H new ATOM 0 HG3 PRO A 23 15.381 -24.047 -9.753 1.00 0.00 H new ATOM 0 HD2 PRO A 23 17.435 -23.083 -11.296 1.00 0.00 H new ATOM 0 HD3 PRO A 23 15.760 -22.722 -11.662 1.00 0.00 H new ATOM 370 N SER A 24 18.686 -21.160 -8.659 1.00 0.00 N ATOM 371 CA SER A 24 19.903 -21.022 -7.861 1.00 0.00 C ATOM 372 C SER A 24 20.636 -19.733 -8.217 1.00 0.00 C ATOM 373 O SER A 24 21.455 -19.243 -7.440 1.00 0.00 O ATOM 374 CB SER A 24 20.821 -22.225 -8.097 1.00 0.00 C ATOM 375 OG SER A 24 21.966 -22.115 -7.260 1.00 0.00 O ATOM 0 H SER A 24 18.820 -21.627 -9.556 1.00 0.00 H new ATOM 0 HA SER A 24 19.624 -20.983 -6.808 1.00 0.00 H new ATOM 0 HB2 SER A 24 20.288 -23.151 -7.883 1.00 0.00 H new ATOM 0 HB3 SER A 24 21.124 -22.266 -9.143 1.00 0.00 H new ATOM 0 HG SER A 24 22.555 -22.885 -7.408 1.00 0.00 H new ATOM 381 N LYS A 25 20.348 -19.190 -9.398 1.00 0.00 N ATOM 382 CA LYS A 25 20.987 -17.968 -9.844 1.00 0.00 C ATOM 383 C LYS A 25 20.251 -16.747 -9.305 1.00 0.00 C ATOM 384 O LYS A 25 20.858 -15.717 -9.015 1.00 0.00 O ATOM 385 CB LYS A 25 21.022 -17.935 -11.371 1.00 0.00 C ATOM 386 CG LYS A 25 22.119 -16.970 -11.834 1.00 0.00 C ATOM 387 CD LYS A 25 23.497 -17.680 -11.823 1.00 0.00 C ATOM 388 CE LYS A 25 24.575 -16.711 -11.335 1.00 0.00 C ATOM 389 NZ LYS A 25 24.658 -15.550 -12.267 1.00 0.00 N ATOM 0 H LYS A 25 19.676 -19.581 -10.058 1.00 0.00 H new ATOM 0 HA LYS A 25 22.007 -17.945 -9.461 1.00 0.00 H new ATOM 0 HB2 LYS A 25 21.212 -18.934 -11.763 1.00 0.00 H new ATOM 0 HB3 LYS A 25 20.055 -17.618 -11.761 1.00 0.00 H new ATOM 0 HG2 LYS A 25 21.896 -16.609 -12.838 1.00 0.00 H new ATOM 0 HG3 LYS A 25 22.146 -16.098 -11.180 1.00 0.00 H new ATOM 0 HD2 LYS A 25 23.460 -18.555 -11.174 1.00 0.00 H new ATOM 0 HD3 LYS A 25 23.741 -18.036 -12.824 1.00 0.00 H new ATOM 0 HE2 LYS A 25 24.341 -16.367 -10.328 1.00 0.00 H new ATOM 0 HE3 LYS A 25 25.538 -17.218 -11.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 25.540 -15.027 -12.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 24.646 -15.892 -13.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 23.846 -14.920 -12.110 1.00 0.00 H new ATOM 403 N LEU A 26 18.939 -16.879 -9.170 1.00 0.00 N ATOM 404 CA LEU A 26 18.113 -15.801 -8.652 1.00 0.00 C ATOM 405 C LEU A 26 18.541 -15.423 -7.227 1.00 0.00 C ATOM 406 O LEU A 26 18.857 -14.264 -6.963 1.00 0.00 O ATOM 407 CB LEU A 26 16.632 -16.232 -8.666 1.00 0.00 C ATOM 408 CG LEU A 26 16.007 -16.003 -10.050 1.00 0.00 C ATOM 409 CD1 LEU A 26 14.790 -16.910 -10.211 1.00 0.00 C ATOM 410 CD2 LEU A 26 15.547 -14.552 -10.209 1.00 0.00 C ATOM 0 H LEU A 26 18.424 -17.725 -9.413 1.00 0.00 H new ATOM 0 HA LEU A 26 18.241 -14.925 -9.288 1.00 0.00 H new ATOM 0 HB2 LEU A 26 16.553 -17.285 -8.397 1.00 0.00 H new ATOM 0 HB3 LEU A 26 16.078 -15.669 -7.915 1.00 0.00 H new ATOM 0 HG LEU A 26 16.761 -16.226 -10.805 1.00 0.00 H new ATOM 0 HD11 LEU A 26 14.344 -16.750 -11.193 1.00 0.00 H new ATOM 0 HD12 LEU A 26 15.098 -17.952 -10.118 1.00 0.00 H new ATOM 0 HD13 LEU A 26 14.058 -16.677 -9.438 1.00 0.00 H new ATOM 0 HD21 LEU A 26 15.108 -14.416 -11.197 1.00 0.00 H new ATOM 0 HD22 LEU A 26 14.803 -14.320 -9.447 1.00 0.00 H new ATOM 0 HD23 LEU A 26 16.402 -13.885 -10.096 1.00 0.00 H new ATOM 422 N PRO A 27 18.559 -16.364 -6.304 1.00 0.00 N ATOM 423 CA PRO A 27 18.959 -16.088 -4.887 1.00 0.00 C ATOM 424 C PRO A 27 20.361 -15.491 -4.801 1.00 0.00 C ATOM 425 O PRO A 27 20.651 -14.693 -3.914 1.00 0.00 O ATOM 426 CB PRO A 27 18.893 -17.477 -4.214 1.00 0.00 C ATOM 427 CG PRO A 27 18.951 -18.453 -5.339 1.00 0.00 C ATOM 428 CD PRO A 27 18.206 -17.783 -6.478 1.00 0.00 C ATOM 0 HA PRO A 27 18.313 -15.354 -4.405 1.00 0.00 H new ATOM 0 HB2 PRO A 27 19.724 -17.621 -3.523 1.00 0.00 H new ATOM 0 HB3 PRO A 27 17.975 -17.593 -3.637 1.00 0.00 H new ATOM 0 HG2 PRO A 27 19.981 -18.674 -5.617 1.00 0.00 H new ATOM 0 HG3 PRO A 27 18.485 -19.399 -5.065 1.00 0.00 H new ATOM 0 HD2 PRO A 27 18.524 -18.163 -7.449 1.00 0.00 H new ATOM 0 HD3 PRO A 27 17.130 -17.944 -6.409 1.00 0.00 H new ATOM 436 N GLU A 28 21.221 -15.875 -5.736 1.00 0.00 N ATOM 437 CA GLU A 28 22.582 -15.361 -5.755 1.00 0.00 C ATOM 438 C GLU A 28 22.571 -13.856 -5.991 1.00 0.00 C ATOM 439 O GLU A 28 23.294 -13.106 -5.336 1.00 0.00 O ATOM 440 CB GLU A 28 23.376 -16.064 -6.854 1.00 0.00 C ATOM 441 CG GLU A 28 24.802 -15.526 -6.867 1.00 0.00 C ATOM 442 CD GLU A 28 25.636 -16.267 -7.907 1.00 0.00 C ATOM 443 OE1 GLU A 28 25.190 -17.306 -8.363 1.00 0.00 O ATOM 444 OE2 GLU A 28 26.709 -15.784 -8.229 1.00 0.00 O ATOM 0 H GLU A 28 21.002 -16.534 -6.483 1.00 0.00 H new ATOM 0 HA GLU A 28 23.054 -15.556 -4.792 1.00 0.00 H new ATOM 0 HB2 GLU A 28 23.383 -17.140 -6.682 1.00 0.00 H new ATOM 0 HB3 GLU A 28 22.904 -15.899 -7.822 1.00 0.00 H new ATOM 0 HG2 GLU A 28 24.794 -14.459 -7.090 1.00 0.00 H new ATOM 0 HG3 GLU A 28 25.251 -15.642 -5.881 1.00 0.00 H new ATOM 451 N ILE A 29 21.742 -13.427 -6.923 1.00 0.00 N ATOM 452 CA ILE A 29 21.631 -12.010 -7.241 1.00 0.00 C ATOM 453 C ILE A 29 21.072 -11.245 -6.050 1.00 0.00 C ATOM 454 O ILE A 29 21.550 -10.162 -5.715 1.00 0.00 O ATOM 455 CB ILE A 29 20.716 -11.825 -8.449 1.00 0.00 C ATOM 456 CG1 ILE A 29 21.318 -12.549 -9.649 1.00 0.00 C ATOM 457 CG2 ILE A 29 20.585 -10.336 -8.767 1.00 0.00 C ATOM 458 CD1 ILE A 29 20.266 -12.677 -10.749 1.00 0.00 C ATOM 0 H ILE A 29 21.136 -14.035 -7.474 1.00 0.00 H new ATOM 0 HA ILE A 29 22.622 -11.621 -7.474 1.00 0.00 H new ATOM 0 HB ILE A 29 19.731 -12.236 -8.228 1.00 0.00 H new ATOM 0 HG12 ILE A 29 22.183 -12.001 -10.021 1.00 0.00 H new ATOM 0 HG13 ILE A 29 21.670 -13.537 -9.352 1.00 0.00 H new ATOM 0 HG21 ILE A 29 19.932 -10.204 -9.630 1.00 0.00 H new ATOM 0 HG22 ILE A 29 20.161 -9.816 -7.908 1.00 0.00 H new ATOM 0 HG23 ILE A 29 21.569 -9.924 -8.991 1.00 0.00 H new ATOM 0 HD11 ILE A 29 20.697 -13.194 -11.606 1.00 0.00 H new ATOM 0 HD12 ILE A 29 19.414 -13.244 -10.374 1.00 0.00 H new ATOM 0 HD13 ILE A 29 19.935 -11.684 -11.053 1.00 0.00 H new ATOM 470 N GLY A 30 20.058 -11.815 -5.409 1.00 0.00 N ATOM 471 CA GLY A 30 19.448 -11.170 -4.255 1.00 0.00 C ATOM 472 C GLY A 30 20.474 -10.967 -3.147 1.00 0.00 C ATOM 473 O GLY A 30 20.527 -9.908 -2.524 1.00 0.00 O ATOM 0 H GLY A 30 19.646 -12.712 -5.666 1.00 0.00 H new ATOM 0 HA2 GLY A 30 19.028 -10.208 -4.549 1.00 0.00 H new ATOM 0 HA3 GLY A 30 18.622 -11.779 -3.886 1.00 0.00 H new ATOM 477 N ARG A 31 21.286 -11.986 -2.906 1.00 0.00 N ATOM 478 CA ARG A 31 22.303 -11.907 -1.872 1.00 0.00 C ATOM 479 C ARG A 31 23.333 -10.852 -2.214 1.00 0.00 C ATOM 480 O ARG A 31 23.700 -10.031 -1.376 1.00 0.00 O ATOM 481 CB ARG A 31 23.010 -13.243 -1.789 1.00 0.00 C ATOM 482 CG ARG A 31 22.057 -14.300 -1.233 1.00 0.00 C ATOM 483 CD ARG A 31 22.584 -15.677 -1.583 1.00 0.00 C ATOM 484 NE ARG A 31 22.042 -16.686 -0.672 1.00 0.00 N ATOM 485 CZ ARG A 31 22.606 -16.910 0.513 1.00 0.00 C ATOM 486 NH1 ARG A 31 23.663 -16.233 0.868 1.00 0.00 N ATOM 487 NH2 ARG A 31 22.104 -17.804 1.324 1.00 0.00 N ATOM 0 H ARG A 31 21.260 -12.872 -3.410 1.00 0.00 H new ATOM 0 HA ARG A 31 21.824 -11.650 -0.927 1.00 0.00 H new ATOM 0 HB2 ARG A 31 23.361 -13.541 -2.777 1.00 0.00 H new ATOM 0 HB3 ARG A 31 23.889 -13.160 -1.150 1.00 0.00 H new ATOM 0 HG2 ARG A 31 21.969 -14.195 -0.152 1.00 0.00 H new ATOM 0 HG3 ARG A 31 21.059 -14.162 -1.649 1.00 0.00 H new ATOM 0 HD2 ARG A 31 22.314 -15.925 -2.610 1.00 0.00 H new ATOM 0 HD3 ARG A 31 23.673 -15.679 -1.530 1.00 0.00 H new ATOM 0 HE ARG A 31 21.221 -17.225 -0.949 1.00 0.00 H new ATOM 0 HH11 ARG A 31 24.056 -15.533 0.238 1.00 0.00 H new ATOM 0 HH12 ARG A 31 24.097 -16.403 1.775 1.00 0.00 H new ATOM 0 HH21 ARG A 31 21.277 -18.334 1.050 1.00 0.00 H new ATOM 0 HH22 ARG A 31 22.540 -17.972 2.231 1.00 0.00 H new ATOM 501 N ALA A 32 23.810 -10.895 -3.449 1.00 0.00 N ATOM 502 CA ALA A 32 24.821 -9.939 -3.880 1.00 0.00 C ATOM 503 C ALA A 32 24.268 -8.522 -3.778 1.00 0.00 C ATOM 504 O ALA A 32 24.901 -7.638 -3.204 1.00 0.00 O ATOM 505 CB ALA A 32 25.242 -10.217 -5.325 1.00 0.00 C ATOM 0 H ALA A 32 23.521 -11.568 -4.159 1.00 0.00 H new ATOM 0 HA ALA A 32 25.692 -10.041 -3.232 1.00 0.00 H new ATOM 0 HB1 ALA A 32 25.998 -9.493 -5.630 1.00 0.00 H new ATOM 0 HB2 ALA A 32 25.654 -11.224 -5.397 1.00 0.00 H new ATOM 0 HB3 ALA A 32 24.374 -10.133 -5.979 1.00 0.00 H new ATOM 511 N ALA A 33 23.071 -8.326 -4.315 1.00 0.00 N ATOM 512 CA ALA A 33 22.419 -7.023 -4.259 1.00 0.00 C ATOM 513 C ALA A 33 22.097 -6.680 -2.816 1.00 0.00 C ATOM 514 O ALA A 33 22.014 -5.511 -2.441 1.00 0.00 O ATOM 515 CB ALA A 33 21.118 -7.049 -5.069 1.00 0.00 C ATOM 0 H ALA A 33 22.533 -9.049 -4.793 1.00 0.00 H new ATOM 0 HA ALA A 33 23.090 -6.274 -4.679 1.00 0.00 H new ATOM 0 HB1 ALA A 33 20.639 -6.071 -5.020 1.00 0.00 H new ATOM 0 HB2 ALA A 33 21.341 -7.293 -6.108 1.00 0.00 H new ATOM 0 HB3 ALA A 33 20.447 -7.802 -4.656 1.00 0.00 H new ATOM 521 N GLY A 34 21.879 -7.720 -2.023 1.00 0.00 N ATOM 522 CA GLY A 34 21.526 -7.532 -0.635 1.00 0.00 C ATOM 523 C GLY A 34 22.566 -6.675 0.080 1.00 0.00 C ATOM 524 O GLY A 34 22.222 -5.747 0.813 1.00 0.00 O ATOM 0 H GLY A 34 21.941 -8.694 -2.320 1.00 0.00 H new ATOM 0 HA2 GLY A 34 20.547 -7.057 -0.566 1.00 0.00 H new ATOM 0 HA3 GLY A 34 21.446 -8.501 -0.142 1.00 0.00 H new ATOM 528 N ARG A 35 23.836 -6.990 -0.148 1.00 0.00 N ATOM 529 CA ARG A 35 24.927 -6.242 0.471 1.00 0.00 C ATOM 530 C ARG A 35 24.955 -4.815 -0.047 1.00 0.00 C ATOM 531 O ARG A 35 25.178 -3.878 0.712 1.00 0.00 O ATOM 532 CB ARG A 35 26.266 -6.924 0.183 1.00 0.00 C ATOM 533 CG ARG A 35 26.103 -8.441 0.286 1.00 0.00 C ATOM 534 CD ARG A 35 25.479 -8.800 1.635 1.00 0.00 C ATOM 535 NE ARG A 35 26.172 -8.103 2.714 1.00 0.00 N ATOM 536 CZ ARG A 35 25.809 -8.263 3.982 1.00 0.00 C ATOM 537 NH1 ARG A 35 24.815 -9.053 4.282 1.00 0.00 N ATOM 538 NH2 ARG A 35 26.445 -7.628 4.928 1.00 0.00 N ATOM 0 H ARG A 35 24.136 -7.754 -0.754 1.00 0.00 H new ATOM 0 HA ARG A 35 24.761 -6.222 1.548 1.00 0.00 H new ATOM 0 HB2 ARG A 35 26.617 -6.653 -0.813 1.00 0.00 H new ATOM 0 HB3 ARG A 35 27.020 -6.580 0.891 1.00 0.00 H new ATOM 0 HG2 ARG A 35 25.473 -8.805 -0.526 1.00 0.00 H new ATOM 0 HG3 ARG A 35 27.072 -8.929 0.181 1.00 0.00 H new ATOM 0 HD2 ARG A 35 24.423 -8.531 1.638 1.00 0.00 H new ATOM 0 HD3 ARG A 35 25.534 -9.877 1.794 1.00 0.00 H new ATOM 0 HE ARG A 35 26.949 -7.482 2.490 1.00 0.00 H new ATOM 0 HH11 ARG A 35 24.316 -9.548 3.543 1.00 0.00 H new ATOM 0 HH12 ARG A 35 24.537 -9.175 5.256 1.00 0.00 H new ATOM 0 HH21 ARG A 35 27.221 -7.009 4.694 1.00 0.00 H new ATOM 0 HH22 ARG A 35 26.166 -7.751 5.901 1.00 0.00 H new ATOM 552 N THR A 36 24.712 -4.667 -1.341 1.00 0.00 N ATOM 553 CA THR A 36 24.695 -3.355 -1.963 1.00 0.00 C ATOM 554 C THR A 36 23.563 -2.524 -1.373 1.00 0.00 C ATOM 555 O THR A 36 23.725 -1.342 -1.097 1.00 0.00 O ATOM 556 CB THR A 36 24.514 -3.512 -3.480 1.00 0.00 C ATOM 557 OG1 THR A 36 25.749 -3.902 -4.064 1.00 0.00 O ATOM 558 CG2 THR A 36 24.039 -2.201 -4.111 1.00 0.00 C ATOM 0 H THR A 36 24.524 -5.440 -1.979 1.00 0.00 H new ATOM 0 HA THR A 36 25.639 -2.844 -1.772 1.00 0.00 H new ATOM 0 HB THR A 36 23.758 -4.276 -3.664 1.00 0.00 H new ATOM 0 HG1 THR A 36 25.635 -4.004 -5.032 1.00 0.00 H new ATOM 0 HG21 THR A 36 23.918 -2.337 -5.186 1.00 0.00 H new ATOM 0 HG22 THR A 36 23.084 -1.911 -3.672 1.00 0.00 H new ATOM 0 HG23 THR A 36 24.776 -1.420 -3.925 1.00 0.00 H new ATOM 566 N LEU A 37 22.410 -3.144 -1.200 1.00 0.00 N ATOM 567 CA LEU A 37 21.271 -2.442 -0.652 1.00 0.00 C ATOM 568 C LEU A 37 21.450 -2.179 0.834 1.00 0.00 C ATOM 569 O LEU A 37 20.994 -1.167 1.366 1.00 0.00 O ATOM 570 CB LEU A 37 20.014 -3.246 -0.885 1.00 0.00 C ATOM 571 CG LEU A 37 19.665 -3.215 -2.381 1.00 0.00 C ATOM 572 CD1 LEU A 37 18.730 -4.376 -2.712 1.00 0.00 C ATOM 573 CD2 LEU A 37 18.962 -1.896 -2.756 1.00 0.00 C ATOM 0 H LEU A 37 22.241 -4.123 -1.430 1.00 0.00 H new ATOM 0 HA LEU A 37 21.188 -1.480 -1.158 1.00 0.00 H new ATOM 0 HB2 LEU A 37 20.159 -4.274 -0.554 1.00 0.00 H new ATOM 0 HB3 LEU A 37 19.192 -2.836 -0.299 1.00 0.00 H new ATOM 0 HG LEU A 37 20.593 -3.298 -2.947 1.00 0.00 H new ATOM 0 HD11 LEU A 37 18.483 -4.353 -3.773 1.00 0.00 H new ATOM 0 HD12 LEU A 37 19.222 -5.319 -2.474 1.00 0.00 H new ATOM 0 HD13 LEU A 37 17.816 -4.286 -2.125 1.00 0.00 H new ATOM 0 HD21 LEU A 37 18.726 -1.899 -3.820 1.00 0.00 H new ATOM 0 HD22 LEU A 37 18.042 -1.798 -2.180 1.00 0.00 H new ATOM 0 HD23 LEU A 37 19.621 -1.057 -2.533 1.00 0.00 H new ATOM 585 N LEU A 38 22.103 -3.109 1.494 1.00 0.00 N ATOM 586 CA LEU A 38 22.339 -3.007 2.920 1.00 0.00 C ATOM 587 C LEU A 38 23.101 -1.738 3.236 1.00 0.00 C ATOM 588 O LEU A 38 22.859 -1.100 4.249 1.00 0.00 O ATOM 589 CB LEU A 38 23.152 -4.222 3.390 1.00 0.00 C ATOM 590 CG LEU A 38 23.530 -4.086 4.873 1.00 0.00 C ATOM 591 CD1 LEU A 38 22.288 -4.251 5.750 1.00 0.00 C ATOM 592 CD2 LEU A 38 24.562 -5.152 5.222 1.00 0.00 C ATOM 0 H LEU A 38 22.484 -3.952 1.063 1.00 0.00 H new ATOM 0 HA LEU A 38 21.380 -2.981 3.437 1.00 0.00 H new ATOM 0 HB2 LEU A 38 22.572 -5.133 3.240 1.00 0.00 H new ATOM 0 HB3 LEU A 38 24.055 -4.316 2.787 1.00 0.00 H new ATOM 0 HG LEU A 38 23.951 -3.097 5.053 1.00 0.00 H new ATOM 0 HD11 LEU A 38 22.568 -4.153 6.799 1.00 0.00 H new ATOM 0 HD12 LEU A 38 21.558 -3.482 5.495 1.00 0.00 H new ATOM 0 HD13 LEU A 38 21.852 -5.236 5.581 1.00 0.00 H new ATOM 0 HD21 LEU A 38 24.836 -5.063 6.273 1.00 0.00 H new ATOM 0 HD22 LEU A 38 24.140 -6.140 5.040 1.00 0.00 H new ATOM 0 HD23 LEU A 38 25.449 -5.016 4.603 1.00 0.00 H new ATOM 604 N GLU A 39 24.047 -1.394 2.393 1.00 0.00 N ATOM 605 CA GLU A 39 24.837 -0.200 2.626 1.00 0.00 C ATOM 606 C GLU A 39 24.055 1.043 2.213 1.00 0.00 C ATOM 607 O GLU A 39 24.354 2.151 2.663 1.00 0.00 O ATOM 608 CB GLU A 39 26.157 -0.275 1.865 1.00 0.00 C ATOM 609 CG GLU A 39 25.865 -0.611 0.421 1.00 0.00 C ATOM 610 CD GLU A 39 27.123 -0.462 -0.426 1.00 0.00 C ATOM 611 OE1 GLU A 39 28.183 -0.822 0.055 1.00 0.00 O ATOM 612 OE2 GLU A 39 27.007 0.013 -1.546 1.00 0.00 O ATOM 0 H GLU A 39 24.289 -1.914 1.549 1.00 0.00 H new ATOM 0 HA GLU A 39 25.057 -0.134 3.692 1.00 0.00 H new ATOM 0 HB2 GLU A 39 26.686 0.675 1.932 1.00 0.00 H new ATOM 0 HB3 GLU A 39 26.805 -1.033 2.306 1.00 0.00 H new ATOM 0 HG2 GLU A 39 25.489 -1.631 0.348 1.00 0.00 H new ATOM 0 HG3 GLU A 39 25.083 0.045 0.040 1.00 0.00 H new ATOM 619 N PHE A 40 23.060 0.862 1.336 1.00 0.00 N ATOM 620 CA PHE A 40 22.266 1.989 0.867 1.00 0.00 C ATOM 621 C PHE A 40 21.465 2.618 1.997 1.00 0.00 C ATOM 622 O PHE A 40 21.453 3.838 2.164 1.00 0.00 O ATOM 623 CB PHE A 40 21.323 1.497 -0.246 1.00 0.00 C ATOM 624 CG PHE A 40 21.718 2.082 -1.584 1.00 0.00 C ATOM 625 CD1 PHE A 40 21.739 3.468 -1.744 1.00 0.00 C ATOM 626 CD2 PHE A 40 22.065 1.244 -2.650 1.00 0.00 C ATOM 627 CE1 PHE A 40 22.108 4.026 -2.974 1.00 0.00 C ATOM 628 CE2 PHE A 40 22.434 1.799 -3.881 1.00 0.00 C ATOM 629 CZ PHE A 40 22.456 3.191 -4.042 1.00 0.00 C ATOM 0 H PHE A 40 22.793 -0.042 0.946 1.00 0.00 H new ATOM 0 HA PHE A 40 22.936 2.757 0.481 1.00 0.00 H new ATOM 0 HB2 PHE A 40 21.351 0.409 -0.298 1.00 0.00 H new ATOM 0 HB3 PHE A 40 20.297 1.778 -0.010 1.00 0.00 H new ATOM 0 HD1 PHE A 40 21.470 4.111 -0.919 1.00 0.00 H new ATOM 0 HD2 PHE A 40 22.048 0.172 -2.523 1.00 0.00 H new ATOM 0 HE1 PHE A 40 22.124 5.099 -3.098 1.00 0.00 H new ATOM 0 HE2 PHE A 40 22.701 1.155 -4.706 1.00 0.00 H new ATOM 0 HZ PHE A 40 22.742 3.620 -4.991 1.00 0.00 H new ATOM 639 N LYS A 41 20.785 1.781 2.756 1.00 0.00 N ATOM 640 CA LYS A 41 19.972 2.269 3.849 1.00 0.00 C ATOM 641 C LYS A 41 20.835 2.949 4.897 1.00 0.00 C ATOM 642 O LYS A 41 20.421 3.920 5.530 1.00 0.00 O ATOM 643 CB LYS A 41 19.201 1.119 4.466 1.00 0.00 C ATOM 644 CG LYS A 41 20.177 0.062 5.019 1.00 0.00 C ATOM 645 CD LYS A 41 20.129 0.061 6.558 1.00 0.00 C ATOM 646 CE LYS A 41 21.054 -1.022 7.112 1.00 0.00 C ATOM 647 NZ LYS A 41 20.290 -2.293 7.256 1.00 0.00 N ATOM 0 H LYS A 41 20.780 0.768 2.636 1.00 0.00 H new ATOM 0 HA LYS A 41 19.267 3.004 3.461 1.00 0.00 H new ATOM 0 HB2 LYS A 41 18.561 1.489 5.267 1.00 0.00 H new ATOM 0 HB3 LYS A 41 18.548 0.667 3.719 1.00 0.00 H new ATOM 0 HG2 LYS A 41 19.913 -0.924 4.637 1.00 0.00 H new ATOM 0 HG3 LYS A 41 21.190 0.276 4.678 1.00 0.00 H new ATOM 0 HD2 LYS A 41 20.430 1.037 6.939 1.00 0.00 H new ATOM 0 HD3 LYS A 41 19.108 -0.113 6.898 1.00 0.00 H new ATOM 0 HE2 LYS A 41 21.903 -1.168 6.444 1.00 0.00 H new ATOM 0 HE3 LYS A 41 21.456 -0.714 8.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 20.911 -3.029 7.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 19.484 -2.143 7.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 19.941 -2.596 6.324 1.00 0.00 H new ATOM 661 N SER A 42 22.040 2.435 5.068 1.00 0.00 N ATOM 662 CA SER A 42 22.964 2.994 6.036 1.00 0.00 C ATOM 663 C SER A 42 23.341 4.410 5.622 1.00 0.00 C ATOM 664 O SER A 42 23.459 5.303 6.461 1.00 0.00 O ATOM 665 CB SER A 42 24.215 2.132 6.119 1.00 0.00 C ATOM 666 OG SER A 42 23.900 0.893 6.741 1.00 0.00 O ATOM 0 H SER A 42 22.400 1.633 4.550 1.00 0.00 H new ATOM 0 HA SER A 42 22.485 3.018 7.015 1.00 0.00 H new ATOM 0 HB2 SER A 42 24.616 1.958 5.120 1.00 0.00 H new ATOM 0 HB3 SER A 42 24.988 2.649 6.687 1.00 0.00 H new ATOM 0 HG SER A 42 23.584 0.258 6.064 1.00 0.00 H new ATOM 672 N ALA A 43 23.509 4.611 4.318 1.00 0.00 N ATOM 673 CA ALA A 43 23.852 5.930 3.801 1.00 0.00 C ATOM 674 C ALA A 43 22.643 6.860 3.867 1.00 0.00 C ATOM 675 O ALA A 43 22.766 8.029 4.235 1.00 0.00 O ATOM 676 CB ALA A 43 24.351 5.822 2.358 1.00 0.00 C ATOM 0 H ALA A 43 23.414 3.885 3.607 1.00 0.00 H new ATOM 0 HA ALA A 43 24.648 6.346 4.419 1.00 0.00 H new ATOM 0 HB1 ALA A 43 24.603 6.815 1.985 1.00 0.00 H new ATOM 0 HB2 ALA A 43 25.236 5.186 2.326 1.00 0.00 H new ATOM 0 HB3 ALA A 43 23.570 5.388 1.734 1.00 0.00 H new ATOM 682 N THR A 44 21.473 6.328 3.526 1.00 0.00 N ATOM 683 CA THR A 44 20.248 7.105 3.566 1.00 0.00 C ATOM 684 C THR A 44 19.939 7.545 4.989 1.00 0.00 C ATOM 685 O THR A 44 19.564 8.691 5.226 1.00 0.00 O ATOM 686 CB THR A 44 19.094 6.262 3.008 1.00 0.00 C ATOM 687 OG1 THR A 44 19.100 6.324 1.591 1.00 0.00 O ATOM 688 CG2 THR A 44 17.752 6.748 3.553 1.00 0.00 C ATOM 0 H THR A 44 21.352 5.363 3.220 1.00 0.00 H new ATOM 0 HA THR A 44 20.373 7.999 2.955 1.00 0.00 H new ATOM 0 HB THR A 44 19.232 5.228 3.324 1.00 0.00 H new ATOM 0 HG1 THR A 44 18.363 5.784 1.237 1.00 0.00 H new ATOM 0 HG21 THR A 44 16.949 6.135 3.143 1.00 0.00 H new ATOM 0 HG22 THR A 44 17.750 6.668 4.640 1.00 0.00 H new ATOM 0 HG23 THR A 44 17.597 7.788 3.265 1.00 0.00 H new ATOM 696 N LYS A 45 20.091 6.625 5.922 1.00 0.00 N ATOM 697 CA LYS A 45 19.814 6.919 7.313 1.00 0.00 C ATOM 698 C LYS A 45 20.679 8.075 7.776 1.00 0.00 C ATOM 699 O LYS A 45 20.317 8.812 8.682 1.00 0.00 O ATOM 700 CB LYS A 45 20.082 5.681 8.171 1.00 0.00 C ATOM 701 CG LYS A 45 20.019 6.045 9.677 1.00 0.00 C ATOM 702 CD LYS A 45 21.436 6.214 10.247 1.00 0.00 C ATOM 703 CE LYS A 45 22.019 4.848 10.617 1.00 0.00 C ATOM 704 NZ LYS A 45 21.462 4.420 11.931 1.00 0.00 N ATOM 0 H LYS A 45 20.404 5.671 5.742 1.00 0.00 H new ATOM 0 HA LYS A 45 18.766 7.198 7.418 1.00 0.00 H new ATOM 0 HB2 LYS A 45 19.347 4.908 7.946 1.00 0.00 H new ATOM 0 HB3 LYS A 45 21.062 5.269 7.930 1.00 0.00 H new ATOM 0 HG2 LYS A 45 19.454 6.967 9.811 1.00 0.00 H new ATOM 0 HG3 LYS A 45 19.491 5.265 10.225 1.00 0.00 H new ATOM 0 HD2 LYS A 45 22.076 6.705 9.513 1.00 0.00 H new ATOM 0 HD3 LYS A 45 21.408 6.857 11.127 1.00 0.00 H new ATOM 0 HE2 LYS A 45 21.775 4.114 9.848 1.00 0.00 H new ATOM 0 HE3 LYS A 45 23.106 4.905 10.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 22.241 4.191 12.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 20.891 5.190 12.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 20.865 3.579 11.798 1.00 0.00 H new ATOM 718 N SER A 46 21.831 8.222 7.152 1.00 0.00 N ATOM 719 CA SER A 46 22.741 9.289 7.518 1.00 0.00 C ATOM 720 C SER A 46 22.253 10.637 6.980 1.00 0.00 C ATOM 721 O SER A 46 22.522 11.685 7.569 1.00 0.00 O ATOM 722 CB SER A 46 24.134 8.980 6.970 1.00 0.00 C ATOM 723 OG SER A 46 25.108 9.634 7.774 1.00 0.00 O ATOM 0 H SER A 46 22.157 7.621 6.395 1.00 0.00 H new ATOM 0 HA SER A 46 22.781 9.355 8.605 1.00 0.00 H new ATOM 0 HB2 SER A 46 24.308 7.904 6.970 1.00 0.00 H new ATOM 0 HB3 SER A 46 24.214 9.315 5.936 1.00 0.00 H new ATOM 0 HG SER A 46 26.003 9.438 7.428 1.00 0.00 H new ATOM 729 N LEU A 47 21.554 10.603 5.847 1.00 0.00 N ATOM 730 CA LEU A 47 21.052 11.821 5.225 1.00 0.00 C ATOM 731 C LEU A 47 19.932 12.439 6.055 1.00 0.00 C ATOM 732 O LEU A 47 19.832 13.660 6.173 1.00 0.00 O ATOM 733 CB LEU A 47 20.538 11.495 3.831 1.00 0.00 C ATOM 734 CG LEU A 47 21.689 11.009 2.939 1.00 0.00 C ATOM 735 CD1 LEU A 47 21.119 10.552 1.590 1.00 0.00 C ATOM 736 CD2 LEU A 47 22.714 12.140 2.715 1.00 0.00 C ATOM 0 H LEU A 47 21.324 9.746 5.344 1.00 0.00 H new ATOM 0 HA LEU A 47 21.866 12.543 5.164 1.00 0.00 H new ATOM 0 HB2 LEU A 47 19.766 10.728 3.891 1.00 0.00 H new ATOM 0 HB3 LEU A 47 20.076 12.378 3.391 1.00 0.00 H new ATOM 0 HG LEU A 47 22.194 10.177 3.430 1.00 0.00 H new ATOM 0 HD11 LEU A 47 21.931 10.205 0.951 1.00 0.00 H new ATOM 0 HD12 LEU A 47 20.411 9.739 1.751 1.00 0.00 H new ATOM 0 HD13 LEU A 47 20.609 11.387 1.109 1.00 0.00 H new ATOM 0 HD21 LEU A 47 23.523 11.778 2.081 1.00 0.00 H new ATOM 0 HD22 LEU A 47 22.224 12.985 2.231 1.00 0.00 H new ATOM 0 HD23 LEU A 47 23.121 12.458 3.675 1.00 0.00 H new ATOM 748 N VAL A 48 19.094 11.586 6.624 1.00 0.00 N ATOM 749 CA VAL A 48 17.979 12.045 7.441 1.00 0.00 C ATOM 750 C VAL A 48 18.439 13.141 8.397 1.00 0.00 C ATOM 751 O VAL A 48 19.579 13.136 8.860 1.00 0.00 O ATOM 752 CB VAL A 48 17.393 10.866 8.238 1.00 0.00 C ATOM 753 CG1 VAL A 48 17.237 9.656 7.314 1.00 0.00 C ATOM 754 CG2 VAL A 48 18.313 10.520 9.435 1.00 0.00 C ATOM 0 H VAL A 48 19.164 10.572 6.536 1.00 0.00 H new ATOM 0 HA VAL A 48 17.209 12.452 6.786 1.00 0.00 H new ATOM 0 HB VAL A 48 16.414 11.144 8.629 1.00 0.00 H new ATOM 0 HG11 VAL A 48 16.822 8.820 7.877 1.00 0.00 H new ATOM 0 HG12 VAL A 48 16.566 9.909 6.493 1.00 0.00 H new ATOM 0 HG13 VAL A 48 18.211 9.376 6.914 1.00 0.00 H new ATOM 0 HG21 VAL A 48 17.888 9.684 9.991 1.00 0.00 H new ATOM 0 HG22 VAL A 48 19.301 10.245 9.067 1.00 0.00 H new ATOM 0 HG23 VAL A 48 18.398 11.386 10.091 1.00 0.00 H new ATOM 764 N SER A 49 17.545 14.073 8.691 1.00 0.00 N ATOM 765 CA SER A 49 17.873 15.171 9.595 1.00 0.00 C ATOM 766 C SER A 49 19.056 15.973 9.062 1.00 0.00 C ATOM 767 O SER A 49 19.661 16.763 9.788 1.00 0.00 O ATOM 768 CB SER A 49 18.207 14.616 10.982 1.00 0.00 C ATOM 769 OG SER A 49 17.320 13.548 11.285 1.00 0.00 O ATOM 0 H SER A 49 16.594 14.094 8.322 1.00 0.00 H new ATOM 0 HA SER A 49 17.009 15.832 9.665 1.00 0.00 H new ATOM 0 HB2 SER A 49 19.239 14.266 11.008 1.00 0.00 H new ATOM 0 HB3 SER A 49 18.118 15.402 11.732 1.00 0.00 H new ATOM 0 HG SER A 49 17.532 13.189 12.172 1.00 0.00 H new ATOM 775 N GLY A 50 19.384 15.763 7.790 1.00 0.00 N ATOM 776 CA GLY A 50 20.499 16.470 7.167 1.00 0.00 C ATOM 777 C GLY A 50 20.066 17.845 6.679 1.00 0.00 C ATOM 778 O GLY A 50 20.502 18.307 5.624 1.00 0.00 O ATOM 0 H GLY A 50 18.897 15.113 7.173 1.00 0.00 H new ATOM 0 HA2 GLY A 50 21.314 16.574 7.883 1.00 0.00 H new ATOM 0 HA3 GLY A 50 20.882 15.887 6.330 1.00 0.00 H new ATOM 782 N ASP A 51 19.207 18.496 7.456 1.00 0.00 N ATOM 783 CA ASP A 51 18.714 19.825 7.100 1.00 0.00 C ATOM 784 C ASP A 51 19.674 20.901 7.596 1.00 0.00 C ATOM 785 O ASP A 51 19.829 21.103 8.801 1.00 0.00 O ATOM 786 CB ASP A 51 17.332 20.053 7.717 1.00 0.00 C ATOM 787 CG ASP A 51 17.413 19.958 9.237 1.00 0.00 C ATOM 788 OD1 ASP A 51 18.412 19.458 9.728 1.00 0.00 O ATOM 789 OD2 ASP A 51 16.476 20.389 9.888 1.00 0.00 O ATOM 0 H ASP A 51 18.838 18.129 8.333 1.00 0.00 H new ATOM 0 HA ASP A 51 18.643 19.886 6.014 1.00 0.00 H new ATOM 0 HB2 ASP A 51 16.953 21.033 7.426 1.00 0.00 H new ATOM 0 HB3 ASP A 51 16.629 19.313 7.336 1.00 0.00 H new ATOM 794 N GLU A 52 20.321 21.590 6.661 1.00 0.00 N ATOM 795 CA GLU A 52 21.266 22.644 7.009 1.00 0.00 C ATOM 796 C GLU A 52 20.538 23.971 7.205 1.00 0.00 C ATOM 797 O GLU A 52 19.373 23.939 7.565 1.00 0.00 O ATOM 798 CB GLU A 52 22.306 22.789 5.904 1.00 0.00 C ATOM 799 CG GLU A 52 23.138 21.504 5.775 1.00 0.00 C ATOM 800 CD GLU A 52 22.383 20.460 4.954 1.00 0.00 C ATOM 801 OE1 GLU A 52 21.243 20.719 4.603 1.00 0.00 O ATOM 802 OE2 GLU A 52 22.959 19.419 4.686 1.00 0.00 O ATOM 0 H GLU A 52 20.208 21.437 5.659 1.00 0.00 H new ATOM 0 HA GLU A 52 21.761 22.374 7.942 1.00 0.00 H new ATOM 0 HB2 GLU A 52 21.811 23.005 4.957 1.00 0.00 H new ATOM 0 HB3 GLU A 52 22.961 23.633 6.121 1.00 0.00 H new ATOM 0 HG2 GLU A 52 24.093 21.728 5.300 1.00 0.00 H new ATOM 0 HG3 GLU A 52 23.360 21.106 6.765 1.00 0.00 H new TER 809 GLU A 52