USER MOD reduce.3.24.130724 H: found=0, std=0, add=619, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 618 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 35 TYR OH : rot -15:sc= -0.391 USER MOD Set 1.2: A 36 GLN : amide:sc= -2.26! C(o=-2.7!,f=-4.1!) USER MOD Set 2.1: A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 9 LYS NZ :NH3+ -144:sc= 0 (180deg=-0.766) USER MOD Single : A 1 ASN : amide:sc= -0.0919 X(o=-0.092,f=0) USER MOD Single : A 1 ASN N :NH3+ -119:sc= -0.044 (180deg=-0.0954) USER MOD Single : A 8 GLN : amide:sc= -0.186 K(o=-0.19,f=-0.73!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot 180:sc= -1.04 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN : amide:sc= -1.84 K(o=-1.8,f=0.012) USER MOD Single : A 24 THR OG1 : rot -98:sc= 1.26 USER MOD Single : A 25 SER OG : rot 180:sc= 0.00172 USER MOD Single : A 37 GLN : amide:sc= -0.193 X(o=-0.19,f=0) USER MOD Single : A 45 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0172) USER MOD Single : A 47 LYS NZ :NH3+ -147:sc= -5.44! (180deg=-9.49!) USER MOD Single : A 48 GLN : amide:sc= -4.38! C(o=-4.4!,f=-5.5!) USER MOD Single : A 49 MET CE :methyl -156:sc= -6.03! (180deg=-7.28!) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -1.5 K(o=-1.5,f=-0.88) USER MOD Single : A 62 THR OG1 : rot -120:sc= -1.49 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 GLN : amide:sc= -0.0724 X(o=-0.072,f=-0.44) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 -15.837 -1.969 -3.961 1.00 0.00 N ATOM 2 CA ASN A 1 -15.181 -0.788 -3.339 1.00 0.00 C ATOM 3 C ASN A 1 -14.129 -1.215 -2.321 1.00 0.00 C ATOM 4 O ASN A 1 -12.972 -0.800 -2.398 1.00 0.00 O ATOM 5 CB ASN A 1 -16.255 0.065 -2.662 1.00 0.00 C ATOM 6 CG ASN A 1 -16.804 1.139 -3.581 1.00 0.00 C ATOM 7 OD1 ASN A 1 -16.510 2.323 -3.417 1.00 0.00 O ATOM 8 ND2 ASN A 1 -17.609 0.729 -4.556 1.00 0.00 N ATOM 0 H1 ASN A 1 -15.665 -1.961 -4.987 1.00 0.00 H new ATOM 0 H2 ASN A 1 -15.444 -2.840 -3.551 1.00 0.00 H new ATOM 0 H3 ASN A 1 -16.861 -1.932 -3.781 1.00 0.00 H new ATOM 0 HA ASN A 1 -14.674 -0.211 -4.112 1.00 0.00 H new ATOM 0 HB2 ASN A 1 -17.071 -0.578 -2.331 1.00 0.00 H new ATOM 0 HB3 ASN A 1 -15.836 0.532 -1.771 1.00 0.00 H new ATOM 0 HD21 ASN A 1 -18.010 1.406 -5.205 1.00 0.00 H new ATOM 0 HD22 ASN A 1 -17.826 -0.263 -4.655 1.00 0.00 H new ATOM 16 N LYS A 2 -14.537 -2.046 -1.368 1.00 0.00 N ATOM 17 CA LYS A 2 -13.629 -2.529 -0.335 1.00 0.00 C ATOM 18 C LYS A 2 -13.818 -4.025 -0.099 1.00 0.00 C ATOM 19 O LYS A 2 -12.982 -4.835 -0.498 1.00 0.00 O ATOM 20 CB LYS A 2 -13.855 -1.763 0.971 1.00 0.00 C ATOM 21 CG LYS A 2 -13.043 -0.483 1.072 1.00 0.00 C ATOM 22 CD LYS A 2 -13.295 0.234 2.390 1.00 0.00 C ATOM 23 CE LYS A 2 -14.531 1.116 2.314 1.00 0.00 C ATOM 24 NZ LYS A 2 -15.266 1.155 3.609 1.00 0.00 N ATOM 0 H LYS A 2 -15.491 -2.399 -1.290 1.00 0.00 H new ATOM 0 HA LYS A 2 -12.608 -2.360 -0.676 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -14.914 -1.520 1.062 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -13.603 -2.411 1.811 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -11.982 -0.716 0.980 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -13.298 0.177 0.243 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -13.418 -0.499 3.187 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -12.428 0.842 2.647 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -14.238 2.127 2.032 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -15.194 0.746 1.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -16.102 1.767 3.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -15.568 0.193 3.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -14.642 1.532 4.351 1.00 0.00 H new ATOM 38 N GLU A 3 -14.925 -4.380 0.552 1.00 0.00 N ATOM 39 CA GLU A 3 -15.237 -5.778 0.849 1.00 0.00 C ATOM 40 C GLU A 3 -14.007 -6.530 1.355 1.00 0.00 C ATOM 41 O GLU A 3 -13.552 -7.489 0.731 1.00 0.00 O ATOM 42 CB GLU A 3 -15.805 -6.472 -0.393 1.00 0.00 C ATOM 43 CG GLU A 3 -14.904 -6.377 -1.613 1.00 0.00 C ATOM 44 CD GLU A 3 -15.390 -7.234 -2.765 1.00 0.00 C ATOM 45 OE1 GLU A 3 -16.461 -6.921 -3.327 1.00 0.00 O ATOM 46 OE2 GLU A 3 -14.701 -8.219 -3.104 1.00 0.00 O ATOM 0 H GLU A 3 -15.624 -3.716 0.885 1.00 0.00 H new ATOM 0 HA GLU A 3 -15.987 -5.790 1.640 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -15.980 -7.523 -0.163 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -16.773 -6.033 -0.633 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -14.846 -5.338 -1.937 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -13.894 -6.682 -1.339 1.00 0.00 H new ATOM 53 N LEU A 4 -13.476 -6.087 2.489 1.00 0.00 N ATOM 54 CA LEU A 4 -12.300 -6.716 3.079 1.00 0.00 C ATOM 55 C LEU A 4 -12.493 -6.935 4.577 1.00 0.00 C ATOM 56 O LEU A 4 -12.329 -8.047 5.078 1.00 0.00 O ATOM 57 CB LEU A 4 -11.057 -5.857 2.834 1.00 0.00 C ATOM 58 CG LEU A 4 -11.226 -4.367 3.146 1.00 0.00 C ATOM 59 CD1 LEU A 4 -10.711 -4.052 4.542 1.00 0.00 C ATOM 60 CD2 LEU A 4 -10.506 -3.519 2.108 1.00 0.00 C ATOM 0 H LEU A 4 -13.841 -5.295 3.018 1.00 0.00 H new ATOM 0 HA LEU A 4 -12.162 -7.687 2.602 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -10.239 -6.248 3.438 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -10.761 -5.963 1.790 1.00 0.00 H new ATOM 0 HG LEU A 4 -12.289 -4.127 3.109 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -10.839 -2.989 4.746 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -11.270 -4.632 5.276 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -9.654 -4.309 4.606 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -10.637 -2.463 2.346 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -9.444 -3.763 2.113 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -10.921 -3.723 1.121 1.00 0.00 H new ATOM 72 N ASP A 5 -12.843 -5.865 5.285 1.00 0.00 N ATOM 73 CA ASP A 5 -13.062 -5.929 6.727 1.00 0.00 C ATOM 74 C ASP A 5 -13.193 -4.526 7.315 1.00 0.00 C ATOM 75 O ASP A 5 -12.852 -3.539 6.664 1.00 0.00 O ATOM 76 CB ASP A 5 -11.913 -6.676 7.415 1.00 0.00 C ATOM 77 CG ASP A 5 -12.302 -8.084 7.822 1.00 0.00 C ATOM 78 OD1 ASP A 5 -13.313 -8.597 7.299 1.00 0.00 O ATOM 79 OD2 ASP A 5 -11.593 -8.675 8.665 1.00 0.00 O ATOM 0 H ASP A 5 -12.982 -4.939 4.881 1.00 0.00 H new ATOM 0 HA ASP A 5 -13.991 -6.472 6.903 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -11.056 -6.719 6.742 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -11.598 -6.119 8.298 1.00 0.00 H new ATOM 84 N PRO A 6 -13.694 -4.419 8.557 1.00 0.00 N ATOM 85 CA PRO A 6 -13.874 -3.136 9.231 1.00 0.00 C ATOM 86 C PRO A 6 -12.631 -2.691 9.999 1.00 0.00 C ATOM 87 O PRO A 6 -12.731 -1.967 10.989 1.00 0.00 O ATOM 88 CB PRO A 6 -15.016 -3.437 10.195 1.00 0.00 C ATOM 89 CG PRO A 6 -14.818 -4.868 10.575 1.00 0.00 C ATOM 90 CD PRO A 6 -14.136 -5.542 9.406 1.00 0.00 C ATOM 0 HA PRO A 6 -14.069 -2.322 8.532 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -14.980 -2.786 11.068 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -15.986 -3.283 9.722 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -14.209 -4.948 11.476 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -15.773 -5.346 10.793 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -13.293 -6.152 9.732 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -14.819 -6.202 8.871 1.00 0.00 H new ATOM 98 N VAL A 7 -11.461 -3.126 9.539 1.00 0.00 N ATOM 99 CA VAL A 7 -10.207 -2.767 10.189 1.00 0.00 C ATOM 100 C VAL A 7 -9.034 -2.863 9.220 1.00 0.00 C ATOM 101 O VAL A 7 -8.181 -1.978 9.173 1.00 0.00 O ATOM 102 CB VAL A 7 -9.926 -3.667 11.407 1.00 0.00 C ATOM 103 CG1 VAL A 7 -10.975 -3.450 12.486 1.00 0.00 C ATOM 104 CG2 VAL A 7 -9.874 -5.129 10.989 1.00 0.00 C ATOM 0 H VAL A 7 -11.357 -3.726 8.721 1.00 0.00 H new ATOM 0 HA VAL A 7 -10.313 -1.735 10.525 1.00 0.00 H new ATOM 0 HB VAL A 7 -8.954 -3.396 11.820 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -10.759 -4.095 13.338 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -10.958 -2.408 12.806 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -11.961 -3.692 12.089 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -9.675 -5.750 11.862 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -10.829 -5.416 10.550 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -9.081 -5.270 10.255 1.00 0.00 H new ATOM 114 N GLN A 8 -8.995 -3.945 8.448 1.00 0.00 N ATOM 115 CA GLN A 8 -7.924 -4.157 7.479 1.00 0.00 C ATOM 116 C GLN A 8 -7.763 -2.944 6.565 1.00 0.00 C ATOM 117 O GLN A 8 -6.650 -2.589 6.180 1.00 0.00 O ATOM 118 CB GLN A 8 -8.207 -5.414 6.649 1.00 0.00 C ATOM 119 CG GLN A 8 -7.264 -5.600 5.472 1.00 0.00 C ATOM 120 CD GLN A 8 -6.740 -7.019 5.361 1.00 0.00 C ATOM 121 OE1 GLN A 8 -5.538 -7.260 5.474 1.00 0.00 O ATOM 122 NE2 GLN A 8 -7.643 -7.967 5.139 1.00 0.00 N ATOM 0 H GLN A 8 -9.693 -4.689 8.474 1.00 0.00 H new ATOM 0 HA GLN A 8 -6.991 -4.294 8.026 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -8.140 -6.288 7.297 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -9.231 -5.370 6.278 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -7.783 -5.335 4.551 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -6.423 -4.913 5.573 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -8.629 -7.722 5.052 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -7.350 -8.941 5.055 1.00 0.00 H new ATOM 131 N LYS A 9 -8.880 -2.308 6.226 1.00 0.00 N ATOM 132 CA LYS A 9 -8.854 -1.133 5.364 1.00 0.00 C ATOM 133 C LYS A 9 -8.027 -0.017 5.996 1.00 0.00 C ATOM 134 O LYS A 9 -7.463 0.823 5.295 1.00 0.00 O ATOM 135 CB LYS A 9 -10.278 -0.638 5.093 1.00 0.00 C ATOM 136 CG LYS A 9 -10.988 -0.119 6.335 1.00 0.00 C ATOM 137 CD LYS A 9 -12.344 -0.783 6.527 1.00 0.00 C ATOM 138 CE LYS A 9 -13.425 0.238 6.846 1.00 0.00 C ATOM 139 NZ LYS A 9 -14.791 -0.340 6.714 1.00 0.00 N ATOM 0 H LYS A 9 -9.812 -2.586 6.534 1.00 0.00 H new ATOM 0 HA LYS A 9 -8.391 -1.416 4.419 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -10.242 0.156 4.347 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -10.862 -1.453 4.664 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -10.367 -0.300 7.212 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -11.119 0.960 6.255 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -12.614 -1.330 5.623 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -12.282 -1.513 7.334 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -13.285 0.610 7.861 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -13.326 1.093 6.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -15.438 0.381 6.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -14.763 -1.153 6.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -15.127 -0.653 7.647 1.00 0.00 H new ATOM 153 N LEU A 10 -7.964 -0.015 7.324 1.00 0.00 N ATOM 154 CA LEU A 10 -7.210 0.999 8.052 1.00 0.00 C ATOM 155 C LEU A 10 -5.720 0.908 7.743 1.00 0.00 C ATOM 156 O LEU A 10 -5.096 1.900 7.366 1.00 0.00 O ATOM 157 CB LEU A 10 -7.444 0.853 9.559 1.00 0.00 C ATOM 158 CG LEU A 10 -6.684 1.847 10.444 1.00 0.00 C ATOM 159 CD1 LEU A 10 -5.241 1.404 10.628 1.00 0.00 C ATOM 160 CD2 LEU A 10 -6.744 3.249 9.854 1.00 0.00 C ATOM 0 H LEU A 10 -8.426 -0.704 7.917 1.00 0.00 H new ATOM 0 HA LEU A 10 -7.564 1.978 7.728 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -8.511 0.960 9.755 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -7.165 -0.158 9.856 1.00 0.00 H new ATOM 0 HG LEU A 10 -7.164 1.869 11.423 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -4.718 2.122 11.259 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -5.219 0.422 11.101 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -4.750 1.350 9.656 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -6.198 3.938 10.498 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -6.293 3.246 8.862 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -7.784 3.568 9.779 1.00 0.00 H new ATOM 172 N PHE A 11 -5.149 -0.283 7.909 1.00 0.00 N ATOM 173 CA PHE A 11 -3.726 -0.483 7.649 1.00 0.00 C ATOM 174 C PHE A 11 -3.374 -0.083 6.219 1.00 0.00 C ATOM 175 O PHE A 11 -2.264 0.376 5.950 1.00 0.00 O ATOM 176 CB PHE A 11 -3.327 -1.940 7.936 1.00 0.00 C ATOM 177 CG PHE A 11 -3.125 -2.797 6.714 1.00 0.00 C ATOM 178 CD1 PHE A 11 -1.984 -2.664 5.936 1.00 0.00 C ATOM 179 CD2 PHE A 11 -4.073 -3.739 6.347 1.00 0.00 C ATOM 180 CE1 PHE A 11 -1.795 -3.452 4.817 1.00 0.00 C ATOM 181 CE2 PHE A 11 -3.888 -4.530 5.230 1.00 0.00 C ATOM 182 CZ PHE A 11 -2.748 -4.387 4.464 1.00 0.00 C ATOM 0 H PHE A 11 -5.646 -1.118 8.220 1.00 0.00 H new ATOM 0 HA PHE A 11 -3.158 0.161 8.321 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -2.405 -1.941 8.518 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -4.097 -2.396 8.558 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -1.234 -1.936 6.208 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -4.967 -3.856 6.942 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -0.903 -3.337 4.219 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -4.635 -5.260 4.956 1.00 0.00 H new ATOM 0 HZ PHE A 11 -2.602 -5.005 3.591 1.00 0.00 H new ATOM 192 N VAL A 12 -4.325 -0.251 5.308 1.00 0.00 N ATOM 193 CA VAL A 12 -4.108 0.104 3.914 1.00 0.00 C ATOM 194 C VAL A 12 -3.824 1.594 3.782 1.00 0.00 C ATOM 195 O VAL A 12 -3.089 2.021 2.891 1.00 0.00 O ATOM 196 CB VAL A 12 -5.320 -0.263 3.036 1.00 0.00 C ATOM 197 CG1 VAL A 12 -5.014 -0.013 1.567 1.00 0.00 C ATOM 198 CG2 VAL A 12 -5.725 -1.712 3.263 1.00 0.00 C ATOM 0 H VAL A 12 -5.250 -0.630 5.510 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.247 -0.467 3.567 1.00 0.00 H new ATOM 0 HB VAL A 12 -6.157 0.374 3.322 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -5.882 -0.278 0.964 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -4.778 1.041 1.419 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -4.162 -0.622 1.264 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -6.582 -1.953 2.635 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -4.892 -2.367 3.007 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -5.991 -1.856 4.310 1.00 0.00 H new ATOM 208 N ASP A 13 -4.399 2.381 4.687 1.00 0.00 N ATOM 209 CA ASP A 13 -4.193 3.823 4.680 1.00 0.00 C ATOM 210 C ASP A 13 -3.048 4.206 5.615 1.00 0.00 C ATOM 211 O ASP A 13 -2.886 5.373 5.971 1.00 0.00 O ATOM 212 CB ASP A 13 -5.474 4.552 5.090 1.00 0.00 C ATOM 213 CG ASP A 13 -6.490 4.608 3.966 1.00 0.00 C ATOM 214 OD1 ASP A 13 -6.442 5.568 3.169 1.00 0.00 O ATOM 215 OD2 ASP A 13 -7.335 3.691 3.884 1.00 0.00 O ATOM 0 H ASP A 13 -5.009 2.044 5.432 1.00 0.00 H new ATOM 0 HA ASP A 13 -3.931 4.124 3.666 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -5.915 4.050 5.951 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -5.227 5.566 5.404 1.00 0.00 H new ATOM 220 N LYS A 14 -2.240 3.216 5.981 1.00 0.00 N ATOM 221 CA LYS A 14 -1.092 3.436 6.840 1.00 0.00 C ATOM 222 C LYS A 14 0.149 3.047 6.080 1.00 0.00 C ATOM 223 O LYS A 14 1.184 3.710 6.158 1.00 0.00 O ATOM 224 CB LYS A 14 -1.203 2.621 8.128 1.00 0.00 C ATOM 225 CG LYS A 14 -2.419 2.968 8.970 1.00 0.00 C ATOM 226 CD LYS A 14 -2.266 2.466 10.396 1.00 0.00 C ATOM 227 CE LYS A 14 -1.057 3.086 11.081 1.00 0.00 C ATOM 228 NZ LYS A 14 -1.426 3.762 12.356 1.00 0.00 N ATOM 0 H LYS A 14 -2.365 2.246 5.690 1.00 0.00 H new ATOM 0 HA LYS A 14 -1.047 4.488 7.123 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -1.238 1.561 7.875 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -0.304 2.776 8.724 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -2.563 4.048 8.976 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -3.311 2.530 8.522 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -3.167 2.701 10.964 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -2.166 1.381 10.392 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -0.317 2.311 11.282 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -0.590 3.807 10.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -0.575 4.171 12.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -2.113 4.518 12.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -1.848 3.069 13.007 1.00 0.00 H new ATOM 242 N ILE A 15 0.023 1.981 5.304 1.00 0.00 N ATOM 243 CA ILE A 15 1.115 1.525 4.489 1.00 0.00 C ATOM 244 C ILE A 15 1.329 2.509 3.340 1.00 0.00 C ATOM 245 O ILE A 15 2.362 2.511 2.677 1.00 0.00 O ATOM 246 CB ILE A 15 0.855 0.116 3.940 1.00 0.00 C ATOM 247 CG1 ILE A 15 -0.384 0.117 3.054 1.00 0.00 C ATOM 248 CG2 ILE A 15 0.697 -0.874 5.082 1.00 0.00 C ATOM 249 CD1 ILE A 15 -0.559 -1.174 2.298 1.00 0.00 C ATOM 0 H ILE A 15 -0.827 1.423 5.228 1.00 0.00 H new ATOM 0 HA ILE A 15 2.012 1.476 5.106 1.00 0.00 H new ATOM 0 HB ILE A 15 1.710 -0.190 3.337 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -1.266 0.295 3.670 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -0.318 0.942 2.345 1.00 0.00 H new ATOM 0 HG21 ILE A 15 0.513 -1.869 4.678 1.00 0.00 H new ATOM 0 HG22 ILE A 15 1.608 -0.888 5.680 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -0.144 -0.576 5.708 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -1.457 -1.117 1.683 1.00 0.00 H new ATOM 0 HD12 ILE A 15 0.308 -1.342 1.659 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -0.654 -1.999 3.004 1.00 0.00 H new ATOM 261 N ARG A 16 0.359 3.384 3.125 1.00 0.00 N ATOM 262 CA ARG A 16 0.501 4.386 2.093 1.00 0.00 C ATOM 263 C ARG A 16 1.148 5.625 2.693 1.00 0.00 C ATOM 264 O ARG A 16 1.289 6.652 2.028 1.00 0.00 O ATOM 265 CB ARG A 16 -0.856 4.728 1.470 1.00 0.00 C ATOM 266 CG ARG A 16 -1.803 5.438 2.425 1.00 0.00 C ATOM 267 CD ARG A 16 -3.137 5.744 1.760 1.00 0.00 C ATOM 268 NE ARG A 16 -3.016 6.790 0.747 1.00 0.00 N ATOM 269 CZ ARG A 16 -2.782 8.069 1.027 1.00 0.00 C ATOM 270 NH1 ARG A 16 -2.642 8.465 2.286 1.00 0.00 N ATOM 271 NH2 ARG A 16 -2.686 8.956 0.045 1.00 0.00 N ATOM 0 H ARG A 16 -0.519 3.418 3.644 1.00 0.00 H new ATOM 0 HA ARG A 16 1.135 3.995 1.297 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -0.696 5.358 0.595 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -1.327 3.810 1.120 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -1.968 4.817 3.305 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -1.346 6.365 2.770 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -3.529 4.837 1.300 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -3.857 6.054 2.517 1.00 0.00 H new ATOM 0 HE ARG A 16 -3.117 6.524 -0.232 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -2.714 7.787 3.045 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -2.463 9.447 2.495 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -2.792 8.657 -0.924 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -2.507 9.937 0.260 1.00 0.00 H new ATOM 285 N GLU A 17 1.538 5.518 3.969 1.00 0.00 N ATOM 286 CA GLU A 17 2.170 6.621 4.670 1.00 0.00 C ATOM 287 C GLU A 17 3.633 6.314 4.988 1.00 0.00 C ATOM 288 O GLU A 17 4.438 7.226 5.182 1.00 0.00 O ATOM 289 CB GLU A 17 1.411 6.921 5.958 1.00 0.00 C ATOM 290 CG GLU A 17 -0.097 6.793 5.821 1.00 0.00 C ATOM 291 CD GLU A 17 -0.838 7.232 7.068 1.00 0.00 C ATOM 292 OE1 GLU A 17 -0.222 7.234 8.155 1.00 0.00 O ATOM 293 OE2 GLU A 17 -2.033 7.575 6.959 1.00 0.00 O ATOM 0 H GLU A 17 1.423 4.674 4.530 1.00 0.00 H new ATOM 0 HA GLU A 17 2.142 7.494 4.018 1.00 0.00 H new ATOM 0 HB2 GLU A 17 1.755 6.243 6.739 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.653 7.932 6.285 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -0.433 7.392 4.974 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -0.351 5.756 5.599 1.00 0.00 H new ATOM 300 N TYR A 18 3.973 5.036 5.024 1.00 0.00 N ATOM 301 CA TYR A 18 5.343 4.618 5.298 1.00 0.00 C ATOM 302 C TYR A 18 6.076 4.318 3.990 1.00 0.00 C ATOM 303 O TYR A 18 7.297 4.455 3.912 1.00 0.00 O ATOM 304 CB TYR A 18 5.354 3.380 6.207 1.00 0.00 C ATOM 305 CG TYR A 18 5.165 2.103 5.435 1.00 0.00 C ATOM 306 CD1 TYR A 18 4.119 2.003 4.554 1.00 0.00 C ATOM 307 CD2 TYR A 18 6.029 1.026 5.556 1.00 0.00 C ATOM 308 CE1 TYR A 18 3.913 0.884 3.809 1.00 0.00 C ATOM 309 CE2 TYR A 18 5.837 -0.119 4.803 1.00 0.00 C ATOM 310 CZ TYR A 18 4.773 -0.185 3.925 1.00 0.00 C ATOM 311 OH TYR A 18 4.571 -1.318 3.171 1.00 0.00 O ATOM 0 H TYR A 18 3.321 4.268 4.867 1.00 0.00 H new ATOM 0 HA TYR A 18 5.857 5.431 5.811 1.00 0.00 H new ATOM 0 HB2 TYR A 18 6.299 3.338 6.749 1.00 0.00 H new ATOM 0 HB3 TYR A 18 4.564 3.472 6.952 1.00 0.00 H new ATOM 0 HD1 TYR A 18 3.440 2.836 4.449 1.00 0.00 H new ATOM 0 HD2 TYR A 18 6.860 1.081 6.244 1.00 0.00 H new ATOM 0 HE1 TYR A 18 3.076 0.834 3.128 1.00 0.00 H new ATOM 0 HE2 TYR A 18 6.514 -0.955 4.901 1.00 0.00 H new ATOM 0 HH TYR A 18 5.269 -1.975 3.374 1.00 0.00 H new ATOM 321 N ARG A 19 5.325 3.925 2.958 1.00 0.00 N ATOM 322 CA ARG A 19 5.923 3.631 1.663 1.00 0.00 C ATOM 323 C ARG A 19 6.062 4.921 0.877 1.00 0.00 C ATOM 324 O ARG A 19 6.970 5.081 0.062 1.00 0.00 O ATOM 325 CB ARG A 19 5.070 2.623 0.889 1.00 0.00 C ATOM 326 CG ARG A 19 5.783 1.308 0.620 1.00 0.00 C ATOM 327 CD ARG A 19 5.329 0.687 -0.691 1.00 0.00 C ATOM 328 NE ARG A 19 6.439 0.083 -1.425 1.00 0.00 N ATOM 329 CZ ARG A 19 7.466 0.772 -1.915 1.00 0.00 C ATOM 330 NH1 ARG A 19 7.529 2.088 -1.757 1.00 0.00 N ATOM 331 NH2 ARG A 19 8.436 0.143 -2.566 1.00 0.00 N ATOM 0 H ARG A 19 4.313 3.805 2.997 1.00 0.00 H new ATOM 0 HA ARG A 19 6.908 3.189 1.814 1.00 0.00 H new ATOM 0 HB2 ARG A 19 4.157 2.424 1.450 1.00 0.00 H new ATOM 0 HB3 ARG A 19 4.770 3.066 -0.061 1.00 0.00 H new ATOM 0 HG2 ARG A 19 6.860 1.476 0.591 1.00 0.00 H new ATOM 0 HG3 ARG A 19 5.591 0.614 1.438 1.00 0.00 H new ATOM 0 HD2 ARG A 19 4.572 -0.071 -0.490 1.00 0.00 H new ATOM 0 HD3 ARG A 19 4.858 1.451 -1.310 1.00 0.00 H new ATOM 0 HE ARG A 19 6.425 -0.927 -1.570 1.00 0.00 H new ATOM 0 HH11 ARG A 19 6.787 2.578 -1.257 1.00 0.00 H new ATOM 0 HH12 ARG A 19 8.320 2.610 -2.135 1.00 0.00 H new ATOM 0 HH21 ARG A 19 8.394 -0.868 -2.691 1.00 0.00 H new ATOM 0 HH22 ARG A 19 9.224 0.671 -2.942 1.00 0.00 H new ATOM 345 N THR A 20 5.159 5.850 1.161 1.00 0.00 N ATOM 346 CA THR A 20 5.164 7.153 0.524 1.00 0.00 C ATOM 347 C THR A 20 6.473 7.875 0.826 1.00 0.00 C ATOM 348 O THR A 20 7.020 8.577 -0.024 1.00 0.00 O ATOM 349 CB THR A 20 3.987 7.968 1.050 1.00 0.00 C ATOM 350 OG1 THR A 20 4.200 9.356 0.866 1.00 0.00 O ATOM 351 CG2 THR A 20 3.744 7.723 2.511 1.00 0.00 C ATOM 0 H THR A 20 4.407 5.719 1.837 1.00 0.00 H new ATOM 0 HA THR A 20 5.073 7.033 -0.555 1.00 0.00 H new ATOM 0 HB THR A 20 3.117 7.645 0.479 1.00 0.00 H new ATOM 0 HG1 THR A 20 3.429 9.854 1.211 1.00 0.00 H new ATOM 0 HG21 THR A 20 2.897 8.323 2.845 1.00 0.00 H new ATOM 0 HG22 THR A 20 3.526 6.667 2.672 1.00 0.00 H new ATOM 0 HG23 THR A 20 4.632 8.001 3.079 1.00 0.00 H new ATOM 359 N LYS A 21 6.971 7.694 2.051 1.00 0.00 N ATOM 360 CA LYS A 21 8.217 8.325 2.467 1.00 0.00 C ATOM 361 C LYS A 21 9.391 7.801 1.647 1.00 0.00 C ATOM 362 O LYS A 21 10.373 8.509 1.424 1.00 0.00 O ATOM 363 CB LYS A 21 8.467 8.077 3.956 1.00 0.00 C ATOM 364 CG LYS A 21 7.471 8.778 4.864 1.00 0.00 C ATOM 365 CD LYS A 21 7.686 8.402 6.322 1.00 0.00 C ATOM 366 CE LYS A 21 6.590 8.966 7.211 1.00 0.00 C ATOM 367 NZ LYS A 21 6.886 10.361 7.639 1.00 0.00 N ATOM 0 H LYS A 21 6.530 7.117 2.767 1.00 0.00 H new ATOM 0 HA LYS A 21 8.128 9.398 2.296 1.00 0.00 H new ATOM 0 HB2 LYS A 21 8.430 7.005 4.149 1.00 0.00 H new ATOM 0 HB3 LYS A 21 9.473 8.411 4.208 1.00 0.00 H new ATOM 0 HG2 LYS A 21 7.568 9.857 4.747 1.00 0.00 H new ATOM 0 HG3 LYS A 21 6.456 8.515 4.565 1.00 0.00 H new ATOM 0 HD2 LYS A 21 7.712 7.317 6.419 1.00 0.00 H new ATOM 0 HD3 LYS A 21 8.654 8.775 6.656 1.00 0.00 H new ATOM 0 HE2 LYS A 21 5.641 8.944 6.676 1.00 0.00 H new ATOM 0 HE3 LYS A 21 6.474 8.333 8.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 6.115 10.710 8.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 7.779 10.379 8.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 6.971 10.971 6.801 1.00 0.00 H new ATOM 381 N ARG A 22 9.283 6.554 1.200 1.00 0.00 N ATOM 382 CA ARG A 22 10.333 5.931 0.404 1.00 0.00 C ATOM 383 C ARG A 22 10.440 6.588 -0.970 1.00 0.00 C ATOM 384 O ARG A 22 11.486 6.528 -1.616 1.00 0.00 O ATOM 385 CB ARG A 22 10.064 4.434 0.246 1.00 0.00 C ATOM 386 CG ARG A 22 10.182 3.655 1.546 1.00 0.00 C ATOM 387 CD ARG A 22 10.069 2.158 1.310 1.00 0.00 C ATOM 388 NE ARG A 22 10.770 1.387 2.335 1.00 0.00 N ATOM 389 CZ ARG A 22 12.089 1.411 2.508 1.00 0.00 C ATOM 390 NH1 ARG A 22 12.854 2.164 1.727 1.00 0.00 N ATOM 391 NH2 ARG A 22 12.646 0.680 3.464 1.00 0.00 N ATOM 0 H ARG A 22 8.477 5.954 1.376 1.00 0.00 H new ATOM 0 HA ARG A 22 11.279 6.070 0.927 1.00 0.00 H new ATOM 0 HB2 ARG A 22 9.063 4.294 -0.162 1.00 0.00 H new ATOM 0 HB3 ARG A 22 10.765 4.022 -0.480 1.00 0.00 H new ATOM 0 HG2 ARG A 22 11.138 3.879 2.020 1.00 0.00 H new ATOM 0 HG3 ARG A 22 9.401 3.976 2.236 1.00 0.00 H new ATOM 0 HD2 ARG A 22 9.017 1.872 1.297 1.00 0.00 H new ATOM 0 HD3 ARG A 22 10.478 1.914 0.330 1.00 0.00 H new ATOM 0 HE ARG A 22 10.215 0.796 2.954 1.00 0.00 H new ATOM 0 HH11 ARG A 22 12.431 2.728 0.990 1.00 0.00 H new ATOM 0 HH12 ARG A 22 13.865 2.179 1.864 1.00 0.00 H new ATOM 0 HH21 ARG A 22 12.063 0.099 4.067 1.00 0.00 H new ATOM 0 HH22 ARG A 22 13.657 0.699 3.596 1.00 0.00 H new ATOM 405 N GLN A 23 9.352 7.215 -1.412 1.00 0.00 N ATOM 406 CA GLN A 23 9.329 7.882 -2.708 1.00 0.00 C ATOM 407 C GLN A 23 9.809 9.326 -2.590 1.00 0.00 C ATOM 408 O GLN A 23 9.153 10.251 -3.069 1.00 0.00 O ATOM 409 CB GLN A 23 7.917 7.846 -3.298 1.00 0.00 C ATOM 410 CG GLN A 23 7.252 6.482 -3.206 1.00 0.00 C ATOM 411 CD GLN A 23 8.103 5.378 -3.801 1.00 0.00 C ATOM 412 OE1 GLN A 23 8.062 5.128 -5.006 1.00 0.00 O ATOM 413 NE2 GLN A 23 8.880 4.710 -2.957 1.00 0.00 N ATOM 0 H GLN A 23 8.477 7.274 -0.891 1.00 0.00 H new ATOM 0 HA GLN A 23 10.008 7.349 -3.374 1.00 0.00 H new ATOM 0 HB2 GLN A 23 7.297 8.578 -2.780 1.00 0.00 H new ATOM 0 HB3 GLN A 23 7.962 8.149 -4.344 1.00 0.00 H new ATOM 0 HG2 GLN A 23 7.045 6.253 -2.161 1.00 0.00 H new ATOM 0 HG3 GLN A 23 6.292 6.514 -3.722 1.00 0.00 H new ATOM 0 HE21 GLN A 23 8.882 4.951 -1.966 1.00 0.00 H new ATOM 0 HE22 GLN A 23 9.475 3.956 -3.300 1.00 0.00 H new ATOM 422 N THR A 24 10.960 9.512 -1.951 1.00 0.00 N ATOM 423 CA THR A 24 11.527 10.844 -1.772 1.00 0.00 C ATOM 424 C THR A 24 12.662 11.088 -2.762 1.00 0.00 C ATOM 425 O THR A 24 13.604 11.825 -2.473 1.00 0.00 O ATOM 426 CB THR A 24 12.038 11.015 -0.341 1.00 0.00 C ATOM 427 OG1 THR A 24 12.478 9.775 0.186 1.00 0.00 O ATOM 428 CG2 THR A 24 10.996 11.572 0.604 1.00 0.00 C ATOM 0 H THR A 24 11.517 8.758 -1.549 1.00 0.00 H new ATOM 0 HA THR A 24 10.741 11.575 -1.959 1.00 0.00 H new ATOM 0 HB THR A 24 12.859 11.728 -0.411 1.00 0.00 H new ATOM 0 HG1 THR A 24 11.768 9.383 0.736 1.00 0.00 H new ATOM 0 HG21 THR A 24 11.424 11.668 1.602 1.00 0.00 H new ATOM 0 HG22 THR A 24 10.672 12.552 0.252 1.00 0.00 H new ATOM 0 HG23 THR A 24 10.140 10.898 0.640 1.00 0.00 H new ATOM 436 N SER A 25 12.564 10.462 -3.931 1.00 0.00 N ATOM 437 CA SER A 25 13.582 10.611 -4.965 1.00 0.00 C ATOM 438 C SER A 25 13.270 11.802 -5.868 1.00 0.00 C ATOM 439 O SER A 25 12.442 12.648 -5.530 1.00 0.00 O ATOM 440 CB SER A 25 13.679 9.331 -5.799 1.00 0.00 C ATOM 441 OG SER A 25 15.010 9.100 -6.226 1.00 0.00 O ATOM 0 H SER A 25 11.791 9.847 -4.186 1.00 0.00 H new ATOM 0 HA SER A 25 14.540 10.792 -4.477 1.00 0.00 H new ATOM 0 HB2 SER A 25 13.330 8.482 -5.210 1.00 0.00 H new ATOM 0 HB3 SER A 25 13.024 9.408 -6.667 1.00 0.00 H new ATOM 0 HG SER A 25 15.045 8.276 -6.755 1.00 0.00 H new ATOM 447 N GLY A 26 13.937 11.861 -7.017 1.00 0.00 N ATOM 448 CA GLY A 26 13.715 12.952 -7.950 1.00 0.00 C ATOM 449 C GLY A 26 12.256 13.101 -8.337 1.00 0.00 C ATOM 450 O GLY A 26 11.809 14.193 -8.688 1.00 0.00 O ATOM 0 H GLY A 26 14.627 11.173 -7.319 1.00 0.00 H new ATOM 0 HA2 GLY A 26 14.066 13.883 -7.505 1.00 0.00 H new ATOM 0 HA3 GLY A 26 14.310 12.784 -8.848 1.00 0.00 H new ATOM 454 N GLY A 27 11.513 12.001 -8.274 1.00 0.00 N ATOM 455 CA GLY A 27 10.105 12.037 -8.624 1.00 0.00 C ATOM 456 C GLY A 27 9.654 10.786 -9.353 1.00 0.00 C ATOM 457 O GLY A 27 9.587 10.774 -10.583 1.00 0.00 O ATOM 0 H GLY A 27 11.860 11.086 -7.987 1.00 0.00 H new ATOM 0 HA2 GLY A 27 9.512 12.159 -7.718 1.00 0.00 H new ATOM 0 HA3 GLY A 27 9.912 12.908 -9.251 1.00 0.00 H new ATOM 461 N PRO A 28 9.334 9.707 -8.618 1.00 0.00 N ATOM 462 CA PRO A 28 8.885 8.448 -9.217 1.00 0.00 C ATOM 463 C PRO A 28 7.438 8.519 -9.692 1.00 0.00 C ATOM 464 O PRO A 28 6.642 9.299 -9.170 1.00 0.00 O ATOM 465 CB PRO A 28 9.019 7.453 -8.066 1.00 0.00 C ATOM 466 CG PRO A 28 8.805 8.273 -6.842 1.00 0.00 C ATOM 467 CD PRO A 28 9.382 9.631 -7.145 1.00 0.00 C ATOM 0 HA PRO A 28 9.462 8.183 -10.103 1.00 0.00 H new ATOM 0 HB2 PRO A 28 8.281 6.654 -8.143 1.00 0.00 H new ATOM 0 HB3 PRO A 28 10.001 6.981 -8.061 1.00 0.00 H new ATOM 0 HG2 PRO A 28 7.744 8.345 -6.601 1.00 0.00 H new ATOM 0 HG3 PRO A 28 9.298 7.823 -5.980 1.00 0.00 H new ATOM 0 HD2 PRO A 28 8.798 10.427 -6.683 1.00 0.00 H new ATOM 0 HD3 PRO A 28 10.402 9.726 -6.772 1.00 0.00 H new ATOM 475 N VAL A 29 7.101 7.700 -10.684 1.00 0.00 N ATOM 476 CA VAL A 29 5.747 7.676 -11.220 1.00 0.00 C ATOM 477 C VAL A 29 5.360 9.033 -11.788 1.00 0.00 C ATOM 478 O VAL A 29 5.961 10.051 -11.446 1.00 0.00 O ATOM 479 CB VAL A 29 4.726 7.278 -10.136 1.00 0.00 C ATOM 480 CG1 VAL A 29 3.337 7.101 -10.735 1.00 0.00 C ATOM 481 CG2 VAL A 29 5.172 6.010 -9.423 1.00 0.00 C ATOM 0 H VAL A 29 7.745 7.047 -11.130 1.00 0.00 H new ATOM 0 HA VAL A 29 5.732 6.933 -12.017 1.00 0.00 H new ATOM 0 HB VAL A 29 4.675 8.084 -9.404 1.00 0.00 H new ATOM 0 HG11 VAL A 29 2.635 6.820 -9.950 1.00 0.00 H new ATOM 0 HG12 VAL A 29 3.016 8.037 -11.191 1.00 0.00 H new ATOM 0 HG13 VAL A 29 3.365 6.319 -11.493 1.00 0.00 H new ATOM 0 HG21 VAL A 29 4.439 5.744 -8.661 1.00 0.00 H new ATOM 0 HG22 VAL A 29 5.257 5.197 -10.145 1.00 0.00 H new ATOM 0 HG23 VAL A 29 6.140 6.179 -8.952 1.00 0.00 H new ATOM 491 N ASP A 30 4.343 9.045 -12.650 1.00 0.00 N ATOM 492 CA ASP A 30 3.868 10.286 -13.251 1.00 0.00 C ATOM 493 C ASP A 30 3.715 11.363 -12.183 1.00 0.00 C ATOM 494 O ASP A 30 3.868 12.554 -12.454 1.00 0.00 O ATOM 495 CB ASP A 30 2.533 10.058 -13.962 1.00 0.00 C ATOM 496 CG ASP A 30 2.656 9.100 -15.130 1.00 0.00 C ATOM 497 OD1 ASP A 30 3.476 8.161 -15.044 1.00 0.00 O ATOM 498 OD2 ASP A 30 1.932 9.287 -16.131 1.00 0.00 O ATOM 0 H ASP A 30 3.835 8.211 -12.945 1.00 0.00 H new ATOM 0 HA ASP A 30 4.602 10.619 -13.985 1.00 0.00 H new ATOM 0 HB2 ASP A 30 1.807 9.666 -13.249 1.00 0.00 H new ATOM 0 HB3 ASP A 30 2.147 11.013 -14.318 1.00 0.00 H new ATOM 503 N ALA A 31 3.427 10.925 -10.960 1.00 0.00 N ATOM 504 CA ALA A 31 3.270 11.833 -9.838 1.00 0.00 C ATOM 505 C ALA A 31 2.150 12.833 -10.091 1.00 0.00 C ATOM 506 O ALA A 31 2.231 13.991 -9.683 1.00 0.00 O ATOM 507 CB ALA A 31 4.585 12.546 -9.568 1.00 0.00 C ATOM 0 H ALA A 31 3.298 9.941 -10.725 1.00 0.00 H new ATOM 0 HA ALA A 31 2.995 11.254 -8.957 1.00 0.00 H new ATOM 0 HB1 ALA A 31 4.464 13.227 -8.725 1.00 0.00 H new ATOM 0 HB2 ALA A 31 5.356 11.812 -9.333 1.00 0.00 H new ATOM 0 HB3 ALA A 31 4.880 13.112 -10.452 1.00 0.00 H new ATOM 513 N GLY A 32 1.100 12.371 -10.760 1.00 0.00 N ATOM 514 CA GLY A 32 -0.030 13.231 -11.050 1.00 0.00 C ATOM 515 C GLY A 32 -0.882 13.481 -9.822 1.00 0.00 C ATOM 516 O GLY A 32 -0.437 13.243 -8.699 1.00 0.00 O ATOM 0 H GLY A 32 1.012 11.416 -11.107 1.00 0.00 H new ATOM 0 HA2 GLY A 32 0.330 14.182 -11.442 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -0.641 12.776 -11.829 1.00 0.00 H new ATOM 520 N PRO A 33 -2.120 13.969 -9.999 1.00 0.00 N ATOM 521 CA PRO A 33 -3.020 14.249 -8.884 1.00 0.00 C ATOM 522 C PRO A 33 -3.774 13.015 -8.403 1.00 0.00 C ATOM 523 O PRO A 33 -4.666 13.119 -7.561 1.00 0.00 O ATOM 524 CB PRO A 33 -3.982 15.269 -9.483 1.00 0.00 C ATOM 525 CG PRO A 33 -4.073 14.892 -10.924 1.00 0.00 C ATOM 526 CD PRO A 33 -2.738 14.294 -11.298 1.00 0.00 C ATOM 0 HA PRO A 33 -2.485 14.598 -8.001 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -4.958 15.227 -8.999 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -3.609 16.286 -9.361 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -4.878 14.175 -11.087 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -4.293 15.764 -11.540 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -2.858 13.405 -11.917 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -2.129 14.998 -11.865 1.00 0.00 H new ATOM 534 N GLU A 34 -3.412 11.849 -8.926 1.00 0.00 N ATOM 535 CA GLU A 34 -4.066 10.613 -8.520 1.00 0.00 C ATOM 536 C GLU A 34 -3.157 9.414 -8.742 1.00 0.00 C ATOM 537 O GLU A 34 -3.622 8.287 -8.914 1.00 0.00 O ATOM 538 CB GLU A 34 -5.386 10.426 -9.269 1.00 0.00 C ATOM 539 CG GLU A 34 -5.297 10.748 -10.752 1.00 0.00 C ATOM 540 CD GLU A 34 -6.118 11.962 -11.139 1.00 0.00 C ATOM 541 OE1 GLU A 34 -6.424 12.781 -10.246 1.00 0.00 O ATOM 542 OE2 GLU A 34 -6.456 12.095 -12.334 1.00 0.00 O ATOM 0 H GLU A 34 -2.677 11.735 -9.624 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.280 10.685 -7.454 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -5.719 9.395 -9.149 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -6.146 11.061 -8.813 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.254 10.919 -11.020 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -5.637 9.887 -11.327 1.00 0.00 H new ATOM 549 N TYR A 35 -1.858 9.665 -8.696 1.00 0.00 N ATOM 550 CA TYR A 35 -0.862 8.616 -8.846 1.00 0.00 C ATOM 551 C TYR A 35 -1.011 7.587 -7.727 1.00 0.00 C ATOM 552 O TYR A 35 -0.377 6.540 -7.765 1.00 0.00 O ATOM 553 CB TYR A 35 0.531 9.225 -8.754 1.00 0.00 C ATOM 554 CG TYR A 35 0.901 9.454 -7.318 1.00 0.00 C ATOM 555 CD1 TYR A 35 0.306 10.474 -6.596 1.00 0.00 C ATOM 556 CD2 TYR A 35 1.780 8.606 -6.668 1.00 0.00 C ATOM 557 CE1 TYR A 35 0.580 10.652 -5.261 1.00 0.00 C ATOM 558 CE2 TYR A 35 2.070 8.776 -5.335 1.00 0.00 C ATOM 559 CZ TYR A 35 1.467 9.800 -4.629 1.00 0.00 C ATOM 560 OH TYR A 35 1.747 9.971 -3.293 1.00 0.00 O ATOM 0 H TYR A 35 -1.466 10.596 -8.554 1.00 0.00 H new ATOM 0 HA TYR A 35 -1.005 8.133 -9.813 1.00 0.00 H new ATOM 0 HB2 TYR A 35 1.258 8.562 -9.223 1.00 0.00 H new ATOM 0 HB3 TYR A 35 0.561 10.168 -9.300 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -0.385 11.141 -7.090 1.00 0.00 H new ATOM 0 HD2 TYR A 35 2.245 7.799 -7.215 1.00 0.00 H new ATOM 0 HE1 TYR A 35 0.106 11.451 -4.710 1.00 0.00 H new ATOM 0 HE2 TYR A 35 2.765 8.113 -4.842 1.00 0.00 H new ATOM 0 HH TYR A 35 1.439 10.856 -3.005 1.00 0.00 H new ATOM 570 N GLN A 36 -1.832 7.907 -6.719 1.00 0.00 N ATOM 571 CA GLN A 36 -2.046 7.016 -5.578 1.00 0.00 C ATOM 572 C GLN A 36 -2.133 5.566 -6.033 1.00 0.00 C ATOM 573 O GLN A 36 -1.742 4.649 -5.313 1.00 0.00 O ATOM 574 CB GLN A 36 -3.324 7.406 -4.832 1.00 0.00 C ATOM 575 CG GLN A 36 -3.272 8.799 -4.225 1.00 0.00 C ATOM 576 CD GLN A 36 -2.095 8.983 -3.289 1.00 0.00 C ATOM 577 OE1 GLN A 36 -1.749 8.085 -2.522 1.00 0.00 O ATOM 578 NE2 GLN A 36 -1.471 10.155 -3.347 1.00 0.00 N ATOM 0 H GLN A 36 -2.359 8.779 -6.673 1.00 0.00 H new ATOM 0 HA GLN A 36 -1.195 7.117 -4.904 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -4.168 7.349 -5.519 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -3.509 6.680 -4.040 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -3.215 9.538 -5.024 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -4.197 8.989 -3.681 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -1.792 10.872 -3.998 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -0.672 10.338 -2.740 1.00 0.00 H new ATOM 587 N GLN A 37 -2.639 5.377 -7.243 1.00 0.00 N ATOM 588 CA GLN A 37 -2.767 4.046 -7.815 1.00 0.00 C ATOM 589 C GLN A 37 -1.398 3.382 -7.961 1.00 0.00 C ATOM 590 O GLN A 37 -1.307 2.161 -8.090 1.00 0.00 O ATOM 591 CB GLN A 37 -3.461 4.118 -9.177 1.00 0.00 C ATOM 592 CG GLN A 37 -4.285 2.883 -9.504 1.00 0.00 C ATOM 593 CD GLN A 37 -5.772 3.107 -9.309 1.00 0.00 C ATOM 594 OE1 GLN A 37 -6.590 2.669 -10.119 1.00 0.00 O ATOM 595 NE2 GLN A 37 -6.130 3.791 -8.228 1.00 0.00 N ATOM 0 H GLN A 37 -2.968 6.130 -7.848 1.00 0.00 H new ATOM 0 HA GLN A 37 -3.373 3.443 -7.138 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -4.109 4.994 -9.200 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -2.708 4.258 -9.953 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -4.098 2.589 -10.537 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -3.960 2.056 -8.873 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -5.418 4.135 -7.583 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -7.117 3.972 -8.042 1.00 0.00 H new ATOM 604 N ASP A 38 -0.334 4.187 -7.939 1.00 0.00 N ATOM 605 CA ASP A 38 1.017 3.657 -8.070 1.00 0.00 C ATOM 606 C ASP A 38 1.526 3.135 -6.730 1.00 0.00 C ATOM 607 O ASP A 38 2.151 2.078 -6.662 1.00 0.00 O ATOM 608 CB ASP A 38 1.960 4.732 -8.614 1.00 0.00 C ATOM 609 CG ASP A 38 2.806 4.224 -9.765 1.00 0.00 C ATOM 610 OD1 ASP A 38 3.834 3.565 -9.502 1.00 0.00 O ATOM 611 OD2 ASP A 38 2.441 4.486 -10.930 1.00 0.00 O ATOM 0 H ASP A 38 -0.384 5.200 -7.832 1.00 0.00 H new ATOM 0 HA ASP A 38 0.991 2.825 -8.774 1.00 0.00 H new ATOM 0 HB2 ASP A 38 1.376 5.591 -8.946 1.00 0.00 H new ATOM 0 HB3 ASP A 38 2.612 5.080 -7.813 1.00 0.00 H new ATOM 616 N LEU A 39 1.247 3.877 -5.664 1.00 0.00 N ATOM 617 CA LEU A 39 1.669 3.475 -4.329 1.00 0.00 C ATOM 618 C LEU A 39 0.808 2.323 -3.829 1.00 0.00 C ATOM 619 O LEU A 39 1.273 1.461 -3.083 1.00 0.00 O ATOM 620 CB LEU A 39 1.575 4.654 -3.358 1.00 0.00 C ATOM 621 CG LEU A 39 2.360 5.899 -3.768 1.00 0.00 C ATOM 622 CD1 LEU A 39 2.220 6.987 -2.715 1.00 0.00 C ATOM 623 CD2 LEU A 39 3.824 5.555 -3.993 1.00 0.00 C ATOM 0 H LEU A 39 0.732 4.757 -5.699 1.00 0.00 H new ATOM 0 HA LEU A 39 2.707 3.147 -4.382 1.00 0.00 H new ATOM 0 HB2 LEU A 39 0.526 4.927 -3.244 1.00 0.00 H new ATOM 0 HB3 LEU A 39 1.928 4.327 -2.380 1.00 0.00 H new ATOM 0 HG LEU A 39 1.949 6.274 -4.705 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.785 7.866 -3.023 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.169 7.252 -2.603 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.605 6.623 -1.763 1.00 0.00 H new ATOM 0 HD21 LEU A 39 4.368 6.453 -4.284 1.00 0.00 H new ATOM 0 HD22 LEU A 39 4.250 5.156 -3.072 1.00 0.00 H new ATOM 0 HD23 LEU A 39 3.905 4.809 -4.784 1.00 0.00 H new ATOM 635 N ASP A 40 -0.452 2.317 -4.248 1.00 0.00 N ATOM 636 CA ASP A 40 -1.387 1.273 -3.850 1.00 0.00 C ATOM 637 C ASP A 40 -1.059 -0.046 -4.544 1.00 0.00 C ATOM 638 O ASP A 40 -1.218 -1.119 -3.962 1.00 0.00 O ATOM 639 CB ASP A 40 -2.822 1.692 -4.176 1.00 0.00 C ATOM 640 CG ASP A 40 -3.813 1.223 -3.128 1.00 0.00 C ATOM 641 OD1 ASP A 40 -3.432 1.150 -1.941 1.00 0.00 O ATOM 642 OD2 ASP A 40 -4.970 0.928 -3.496 1.00 0.00 O ATOM 0 H ASP A 40 -0.850 3.025 -4.865 1.00 0.00 H new ATOM 0 HA ASP A 40 -1.294 1.129 -2.774 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -2.871 2.778 -4.258 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -3.105 1.286 -5.147 1.00 0.00 H new ATOM 647 N ARG A 41 -0.603 0.038 -5.792 1.00 0.00 N ATOM 648 CA ARG A 41 -0.257 -1.158 -6.554 1.00 0.00 C ATOM 649 C ARG A 41 0.990 -1.822 -5.975 1.00 0.00 C ATOM 650 O ARG A 41 1.084 -3.048 -5.925 1.00 0.00 O ATOM 651 CB ARG A 41 -0.051 -0.812 -8.036 1.00 0.00 C ATOM 652 CG ARG A 41 1.372 -0.408 -8.396 1.00 0.00 C ATOM 653 CD ARG A 41 1.405 0.525 -9.595 1.00 0.00 C ATOM 654 NE ARG A 41 1.722 -0.184 -10.834 1.00 0.00 N ATOM 655 CZ ARG A 41 0.821 -0.822 -11.578 1.00 0.00 C ATOM 656 NH1 ARG A 41 -0.456 -0.844 -11.216 1.00 0.00 N ATOM 657 NH2 ARG A 41 1.198 -1.439 -12.688 1.00 0.00 N ATOM 0 H ARG A 41 -0.465 0.915 -6.294 1.00 0.00 H new ATOM 0 HA ARG A 41 -1.084 -1.864 -6.480 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -0.335 -1.673 -8.640 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -0.725 0.001 -8.304 1.00 0.00 H new ATOM 0 HG2 ARG A 41 1.839 0.081 -7.541 1.00 0.00 H new ATOM 0 HG3 ARG A 41 1.960 -1.300 -8.613 1.00 0.00 H new ATOM 0 HD2 ARG A 41 0.438 1.018 -9.697 1.00 0.00 H new ATOM 0 HD3 ARG A 41 2.145 1.307 -9.425 1.00 0.00 H new ATOM 0 HE ARG A 41 2.693 -0.190 -11.147 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -0.752 -0.370 -10.363 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -1.141 -1.335 -11.791 1.00 0.00 H new ATOM 0 HH21 ARG A 41 2.178 -1.425 -12.972 1.00 0.00 H new ATOM 0 HH22 ARG A 41 0.509 -1.928 -13.259 1.00 0.00 H new ATOM 671 N GLU A 42 1.939 -1.005 -5.529 1.00 0.00 N ATOM 672 CA GLU A 42 3.169 -1.520 -4.946 1.00 0.00 C ATOM 673 C GLU A 42 2.877 -2.171 -3.602 1.00 0.00 C ATOM 674 O GLU A 42 3.432 -3.220 -3.272 1.00 0.00 O ATOM 675 CB GLU A 42 4.193 -0.395 -4.774 1.00 0.00 C ATOM 676 CG GLU A 42 5.492 -0.849 -4.129 1.00 0.00 C ATOM 677 CD GLU A 42 6.350 -1.678 -5.065 1.00 0.00 C ATOM 678 OE1 GLU A 42 7.062 -1.084 -5.901 1.00 0.00 O ATOM 679 OE2 GLU A 42 6.308 -2.922 -4.963 1.00 0.00 O ATOM 0 H GLU A 42 1.879 0.013 -5.561 1.00 0.00 H new ATOM 0 HA GLU A 42 3.586 -2.268 -5.620 1.00 0.00 H new ATOM 0 HB2 GLU A 42 4.413 0.037 -5.750 1.00 0.00 H new ATOM 0 HB3 GLU A 42 3.753 0.396 -4.167 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.056 0.025 -3.803 1.00 0.00 H new ATOM 0 HG3 GLU A 42 5.266 -1.433 -3.237 1.00 0.00 H new ATOM 686 N LEU A 43 1.990 -1.546 -2.837 1.00 0.00 N ATOM 687 CA LEU A 43 1.607 -2.068 -1.535 1.00 0.00 C ATOM 688 C LEU A 43 0.788 -3.339 -1.699 1.00 0.00 C ATOM 689 O LEU A 43 1.045 -4.347 -1.046 1.00 0.00 O ATOM 690 CB LEU A 43 0.801 -1.022 -0.759 1.00 0.00 C ATOM 691 CG LEU A 43 1.603 -0.176 0.232 1.00 0.00 C ATOM 692 CD1 LEU A 43 2.574 -1.041 1.026 1.00 0.00 C ATOM 693 CD2 LEU A 43 2.344 0.932 -0.499 1.00 0.00 C ATOM 0 H LEU A 43 1.524 -0.677 -3.098 1.00 0.00 H new ATOM 0 HA LEU A 43 2.512 -2.301 -0.974 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.321 -0.355 -1.474 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.006 -1.532 -0.215 1.00 0.00 H new ATOM 0 HG LEU A 43 0.906 0.278 0.937 1.00 0.00 H new ATOM 0 HD11 LEU A 43 3.132 -0.416 1.723 1.00 0.00 H new ATOM 0 HD12 LEU A 43 2.018 -1.797 1.581 1.00 0.00 H new ATOM 0 HD13 LEU A 43 3.268 -1.530 0.343 1.00 0.00 H new ATOM 0 HD21 LEU A 43 2.910 1.526 0.218 1.00 0.00 H new ATOM 0 HD22 LEU A 43 3.027 0.494 -1.227 1.00 0.00 H new ATOM 0 HD23 LEU A 43 1.627 1.572 -1.013 1.00 0.00 H new ATOM 705 N PHE A 44 -0.194 -3.290 -2.586 1.00 0.00 N ATOM 706 CA PHE A 44 -1.039 -4.446 -2.845 1.00 0.00 C ATOM 707 C PHE A 44 -0.195 -5.603 -3.372 1.00 0.00 C ATOM 708 O PHE A 44 -0.519 -6.770 -3.153 1.00 0.00 O ATOM 709 CB PHE A 44 -2.149 -4.071 -3.837 1.00 0.00 C ATOM 710 CG PHE A 44 -2.685 -5.225 -4.636 1.00 0.00 C ATOM 711 CD1 PHE A 44 -3.583 -6.118 -4.074 1.00 0.00 C ATOM 712 CD2 PHE A 44 -2.293 -5.412 -5.951 1.00 0.00 C ATOM 713 CE1 PHE A 44 -4.081 -7.176 -4.811 1.00 0.00 C ATOM 714 CE2 PHE A 44 -2.786 -6.468 -6.693 1.00 0.00 C ATOM 715 CZ PHE A 44 -3.682 -7.351 -6.122 1.00 0.00 C ATOM 0 H PHE A 44 -0.425 -2.464 -3.138 1.00 0.00 H new ATOM 0 HA PHE A 44 -1.509 -4.767 -1.915 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -2.971 -3.613 -3.287 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -1.766 -3.317 -4.524 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -3.897 -5.986 -3.049 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -1.593 -4.724 -6.402 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -4.781 -7.865 -4.362 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -2.472 -6.603 -7.717 1.00 0.00 H new ATOM 0 HZ PHE A 44 -4.070 -8.177 -6.700 1.00 0.00 H new ATOM 725 N LYS A 45 0.898 -5.270 -4.052 1.00 0.00 N ATOM 726 CA LYS A 45 1.798 -6.283 -4.587 1.00 0.00 C ATOM 727 C LYS A 45 2.492 -7.027 -3.450 1.00 0.00 C ATOM 728 O LYS A 45 2.924 -8.168 -3.612 1.00 0.00 O ATOM 729 CB LYS A 45 2.837 -5.641 -5.508 1.00 0.00 C ATOM 730 CG LYS A 45 2.424 -5.618 -6.970 1.00 0.00 C ATOM 731 CD LYS A 45 3.606 -5.317 -7.878 1.00 0.00 C ATOM 732 CE LYS A 45 3.206 -4.409 -9.030 1.00 0.00 C ATOM 733 NZ LYS A 45 2.188 -5.044 -9.912 1.00 0.00 N ATOM 0 H LYS A 45 1.180 -4.309 -4.245 1.00 0.00 H new ATOM 0 HA LYS A 45 1.211 -6.996 -5.167 1.00 0.00 H new ATOM 0 HB2 LYS A 45 3.023 -4.620 -5.176 1.00 0.00 H new ATOM 0 HB3 LYS A 45 3.778 -6.183 -5.414 1.00 0.00 H new ATOM 0 HG2 LYS A 45 1.991 -6.580 -7.242 1.00 0.00 H new ATOM 0 HG3 LYS A 45 1.649 -4.866 -7.119 1.00 0.00 H new ATOM 0 HD2 LYS A 45 4.400 -4.844 -7.299 1.00 0.00 H new ATOM 0 HD3 LYS A 45 4.011 -6.249 -8.272 1.00 0.00 H new ATOM 0 HE2 LYS A 45 2.810 -3.474 -8.634 1.00 0.00 H new ATOM 0 HE3 LYS A 45 4.089 -4.158 -9.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 1.980 -4.413 -10.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 2.555 -5.949 -10.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 1.317 -5.214 -9.370 1.00 0.00 H new ATOM 747 N LEU A 46 2.584 -6.371 -2.295 1.00 0.00 N ATOM 748 CA LEU A 46 3.207 -6.957 -1.125 1.00 0.00 C ATOM 749 C LEU A 46 2.344 -8.095 -0.599 1.00 0.00 C ATOM 750 O LEU A 46 2.761 -9.252 -0.604 1.00 0.00 O ATOM 751 CB LEU A 46 3.423 -5.870 -0.057 1.00 0.00 C ATOM 752 CG LEU A 46 3.549 -6.352 1.394 1.00 0.00 C ATOM 753 CD1 LEU A 46 4.738 -5.689 2.076 1.00 0.00 C ATOM 754 CD2 LEU A 46 2.271 -6.063 2.166 1.00 0.00 C ATOM 0 H LEU A 46 2.230 -5.425 -2.151 1.00 0.00 H new ATOM 0 HA LEU A 46 4.181 -7.370 -1.389 1.00 0.00 H new ATOM 0 HB2 LEU A 46 4.326 -5.316 -0.312 1.00 0.00 H new ATOM 0 HB3 LEU A 46 2.592 -5.167 -0.112 1.00 0.00 H new ATOM 0 HG LEU A 46 3.711 -7.430 1.383 1.00 0.00 H new ATOM 0 HD11 LEU A 46 4.812 -6.043 3.104 1.00 0.00 H new ATOM 0 HD12 LEU A 46 5.652 -5.941 1.539 1.00 0.00 H new ATOM 0 HD13 LEU A 46 4.602 -4.607 2.073 1.00 0.00 H new ATOM 0 HD21 LEU A 46 2.379 -6.412 3.193 1.00 0.00 H new ATOM 0 HD22 LEU A 46 2.081 -4.990 2.166 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.436 -6.580 1.693 1.00 0.00 H new ATOM 766 N LYS A 47 1.131 -7.779 -0.165 1.00 0.00 N ATOM 767 CA LYS A 47 0.240 -8.813 0.347 1.00 0.00 C ATOM 768 C LYS A 47 0.000 -9.894 -0.704 1.00 0.00 C ATOM 769 O LYS A 47 -0.347 -11.028 -0.372 1.00 0.00 O ATOM 770 CB LYS A 47 -1.099 -8.214 0.785 1.00 0.00 C ATOM 771 CG LYS A 47 -0.974 -7.129 1.841 1.00 0.00 C ATOM 772 CD LYS A 47 -1.197 -5.747 1.246 1.00 0.00 C ATOM 773 CE LYS A 47 -0.605 -4.656 2.123 1.00 0.00 C ATOM 774 NZ LYS A 47 0.448 -3.884 1.411 1.00 0.00 N ATOM 0 H LYS A 47 0.746 -6.834 -0.156 1.00 0.00 H new ATOM 0 HA LYS A 47 0.724 -9.264 1.213 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -1.603 -7.800 -0.088 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -1.733 -9.012 1.172 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -1.700 -7.306 2.635 1.00 0.00 H new ATOM 0 HG3 LYS A 47 0.015 -7.175 2.297 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -0.747 -5.701 0.254 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.266 -5.573 1.120 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -1.397 -3.979 2.445 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -0.182 -5.103 3.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 1.175 -3.581 2.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 0.884 -4.483 0.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 0.022 -3.047 0.964 1.00 0.00 H new ATOM 788 N GLN A 48 0.182 -9.536 -1.971 1.00 0.00 N ATOM 789 CA GLN A 48 -0.019 -10.477 -3.067 1.00 0.00 C ATOM 790 C GLN A 48 1.238 -11.304 -3.317 1.00 0.00 C ATOM 791 O GLN A 48 1.155 -12.464 -3.717 1.00 0.00 O ATOM 792 CB GLN A 48 -0.412 -9.729 -4.341 1.00 0.00 C ATOM 793 CG GLN A 48 -1.771 -9.057 -4.255 1.00 0.00 C ATOM 794 CD GLN A 48 -2.885 -9.922 -4.811 1.00 0.00 C ATOM 795 OE1 GLN A 48 -3.015 -10.082 -6.025 1.00 0.00 O ATOM 796 NE2 GLN A 48 -3.697 -10.484 -3.923 1.00 0.00 N ATOM 0 H GLN A 48 0.468 -8.602 -2.264 1.00 0.00 H new ATOM 0 HA GLN A 48 -0.825 -11.155 -2.786 1.00 0.00 H new ATOM 0 HB2 GLN A 48 0.344 -8.975 -4.558 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -0.414 -10.428 -5.177 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -1.988 -8.816 -3.214 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -1.741 -8.114 -4.801 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -3.552 -10.324 -2.926 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -4.466 -11.076 -4.238 1.00 0.00 H new ATOM 805 N MET A 49 2.400 -10.701 -3.083 1.00 0.00 N ATOM 806 CA MET A 49 3.666 -11.393 -3.292 1.00 0.00 C ATOM 807 C MET A 49 4.004 -12.290 -2.105 1.00 0.00 C ATOM 808 O MET A 49 4.740 -13.268 -2.248 1.00 0.00 O ATOM 809 CB MET A 49 4.796 -10.389 -3.551 1.00 0.00 C ATOM 810 CG MET A 49 5.273 -9.653 -2.309 1.00 0.00 C ATOM 811 SD MET A 49 6.531 -8.412 -2.674 1.00 0.00 S ATOM 812 CE MET A 49 5.596 -7.242 -3.658 1.00 0.00 C ATOM 0 H MET A 49 2.490 -9.741 -2.751 1.00 0.00 H new ATOM 0 HA MET A 49 3.561 -12.027 -4.173 1.00 0.00 H new ATOM 0 HB2 MET A 49 5.641 -10.916 -3.994 1.00 0.00 H new ATOM 0 HB3 MET A 49 4.456 -9.658 -4.285 1.00 0.00 H new ATOM 0 HG2 MET A 49 4.422 -9.171 -1.828 1.00 0.00 H new ATOM 0 HG3 MET A 49 5.675 -10.374 -1.597 1.00 0.00 H new ATOM 0 HE1 MET A 49 6.276 -6.677 -4.295 1.00 0.00 H new ATOM 0 HE2 MET A 49 4.879 -7.780 -4.279 1.00 0.00 H new ATOM 0 HE3 MET A 49 5.063 -6.557 -2.999 1.00 0.00 H new ATOM 822 N TYR A 50 3.457 -11.968 -0.936 1.00 0.00 N ATOM 823 CA TYR A 50 3.703 -12.769 0.257 1.00 0.00 C ATOM 824 C TYR A 50 2.667 -13.879 0.374 1.00 0.00 C ATOM 825 O TYR A 50 2.937 -14.939 0.940 1.00 0.00 O ATOM 826 CB TYR A 50 3.685 -11.890 1.507 1.00 0.00 C ATOM 827 CG TYR A 50 4.858 -10.942 1.586 1.00 0.00 C ATOM 828 CD1 TYR A 50 6.114 -11.389 1.979 1.00 0.00 C ATOM 829 CD2 TYR A 50 4.714 -9.601 1.259 1.00 0.00 C ATOM 830 CE1 TYR A 50 7.189 -10.523 2.045 1.00 0.00 C ATOM 831 CE2 TYR A 50 5.780 -8.734 1.321 1.00 0.00 C ATOM 832 CZ TYR A 50 7.018 -9.196 1.714 1.00 0.00 C ATOM 833 OH TYR A 50 8.085 -8.330 1.777 1.00 0.00 O ATOM 0 H TYR A 50 2.846 -11.165 -0.791 1.00 0.00 H new ATOM 0 HA TYR A 50 4.690 -13.223 0.169 1.00 0.00 H new ATOM 0 HB2 TYR A 50 2.759 -11.315 1.525 1.00 0.00 H new ATOM 0 HB3 TYR A 50 3.681 -12.527 2.391 1.00 0.00 H new ATOM 0 HD1 TYR A 50 6.252 -12.429 2.237 1.00 0.00 H new ATOM 0 HD2 TYR A 50 3.747 -9.231 0.950 1.00 0.00 H new ATOM 0 HE1 TYR A 50 8.159 -10.884 2.354 1.00 0.00 H new ATOM 0 HE2 TYR A 50 5.647 -7.694 1.062 1.00 0.00 H new ATOM 0 HH TYR A 50 7.794 -7.433 1.511 1.00 0.00 H new ATOM 843 N GLY A 51 1.485 -13.633 -0.178 1.00 0.00 N ATOM 844 CA GLY A 51 0.429 -14.624 -0.141 1.00 0.00 C ATOM 845 C GLY A 51 0.589 -15.665 -1.232 1.00 0.00 C ATOM 846 O GLY A 51 0.069 -16.774 -1.122 1.00 0.00 O ATOM 0 H GLY A 51 1.240 -12.763 -0.651 1.00 0.00 H new ATOM 0 HA2 GLY A 51 0.427 -15.116 0.832 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -0.536 -14.130 -0.250 1.00 0.00 H new ATOM 850 N LYS A 52 1.315 -15.304 -2.290 1.00 0.00 N ATOM 851 CA LYS A 52 1.544 -16.216 -3.403 1.00 0.00 C ATOM 852 C LYS A 52 2.674 -17.191 -3.084 1.00 0.00 C ATOM 853 O LYS A 52 2.689 -18.320 -3.572 1.00 0.00 O ATOM 854 CB LYS A 52 1.876 -15.431 -4.673 1.00 0.00 C ATOM 855 CG LYS A 52 1.515 -16.166 -5.954 1.00 0.00 C ATOM 856 CD LYS A 52 0.015 -16.381 -6.069 1.00 0.00 C ATOM 857 CE LYS A 52 -0.452 -16.300 -7.513 1.00 0.00 C ATOM 858 NZ LYS A 52 -0.958 -14.943 -7.857 1.00 0.00 N ATOM 0 H LYS A 52 1.752 -14.389 -2.397 1.00 0.00 H new ATOM 0 HA LYS A 52 0.630 -16.787 -3.566 1.00 0.00 H new ATOM 0 HB2 LYS A 52 1.348 -14.478 -4.650 1.00 0.00 H new ATOM 0 HB3 LYS A 52 2.942 -15.204 -4.682 1.00 0.00 H new ATOM 0 HG2 LYS A 52 1.869 -15.597 -6.813 1.00 0.00 H new ATOM 0 HG3 LYS A 52 2.025 -17.129 -5.978 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -0.246 -17.355 -5.655 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -0.507 -15.632 -5.474 1.00 0.00 H new ATOM 0 HE2 LYS A 52 0.373 -16.559 -8.177 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -1.239 -17.035 -7.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -1.267 -14.929 -8.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -1.762 -14.706 -7.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -0.199 -14.245 -7.721 1.00 0.00 H new ATOM 872 N ALA A 53 3.621 -16.747 -2.261 1.00 0.00 N ATOM 873 CA ALA A 53 4.751 -17.584 -1.881 1.00 0.00 C ATOM 874 C ALA A 53 4.343 -18.613 -0.829 1.00 0.00 C ATOM 875 O ALA A 53 4.026 -19.756 -1.159 1.00 0.00 O ATOM 876 CB ALA A 53 5.899 -16.722 -1.372 1.00 0.00 C ATOM 0 H ALA A 53 3.627 -15.815 -1.847 1.00 0.00 H new ATOM 0 HA ALA A 53 5.087 -18.126 -2.765 1.00 0.00 H new ATOM 0 HB1 ALA A 53 6.737 -17.360 -1.092 1.00 0.00 H new ATOM 0 HB2 ALA A 53 6.214 -16.034 -2.157 1.00 0.00 H new ATOM 0 HB3 ALA A 53 5.569 -16.153 -0.503 1.00 0.00 H new ATOM 882 N ASP A 54 4.347 -18.202 0.438 1.00 0.00 N ATOM 883 CA ASP A 54 3.974 -19.091 1.534 1.00 0.00 C ATOM 884 C ASP A 54 4.069 -18.367 2.876 1.00 0.00 C ATOM 885 O ASP A 54 3.066 -17.892 3.407 1.00 0.00 O ATOM 886 CB ASP A 54 4.863 -20.340 1.537 1.00 0.00 C ATOM 887 CG ASP A 54 4.558 -21.271 2.695 1.00 0.00 C ATOM 888 OD1 ASP A 54 3.363 -21.440 3.021 1.00 0.00 O ATOM 889 OD2 ASP A 54 5.512 -21.829 3.275 1.00 0.00 O ATOM 0 H ASP A 54 4.605 -17.259 0.730 1.00 0.00 H new ATOM 0 HA ASP A 54 2.939 -19.400 1.385 1.00 0.00 H new ATOM 0 HB2 ASP A 54 4.730 -20.878 0.598 1.00 0.00 H new ATOM 0 HB3 ASP A 54 5.909 -20.037 1.585 1.00 0.00 H new ATOM 894 N MET A 55 5.283 -18.284 3.420 1.00 0.00 N ATOM 895 CA MET A 55 5.508 -17.617 4.699 1.00 0.00 C ATOM 896 C MET A 55 6.961 -17.768 5.141 1.00 0.00 C ATOM 897 O MET A 55 7.244 -17.982 6.319 1.00 0.00 O ATOM 898 CB MET A 55 4.577 -18.188 5.773 1.00 0.00 C ATOM 899 CG MET A 55 4.561 -19.707 5.820 1.00 0.00 C ATOM 900 SD MET A 55 2.921 -20.376 6.160 1.00 0.00 S ATOM 901 CE MET A 55 3.292 -22.121 6.317 1.00 0.00 C ATOM 0 H MET A 55 6.125 -18.671 2.994 1.00 0.00 H new ATOM 0 HA MET A 55 5.291 -16.557 4.568 1.00 0.00 H new ATOM 0 HB2 MET A 55 4.883 -17.806 6.747 1.00 0.00 H new ATOM 0 HB3 MET A 55 3.564 -17.828 5.593 1.00 0.00 H new ATOM 0 HG2 MET A 55 4.919 -20.100 4.868 1.00 0.00 H new ATOM 0 HG3 MET A 55 5.255 -20.050 6.587 1.00 0.00 H new ATOM 0 HE1 MET A 55 2.375 -22.670 6.529 1.00 0.00 H new ATOM 0 HE2 MET A 55 3.727 -22.486 5.386 1.00 0.00 H new ATOM 0 HE3 MET A 55 4.001 -22.270 7.132 1.00 0.00 H new ATOM 911 N ASN A 56 7.878 -17.654 4.186 1.00 0.00 N ATOM 912 CA ASN A 56 9.303 -17.778 4.477 1.00 0.00 C ATOM 913 C ASN A 56 9.842 -16.503 5.116 1.00 0.00 C ATOM 914 O ASN A 56 10.763 -16.548 5.932 1.00 0.00 O ATOM 915 CB ASN A 56 10.080 -18.089 3.197 1.00 0.00 C ATOM 916 CG ASN A 56 10.083 -19.569 2.866 1.00 0.00 C ATOM 917 OD1 ASN A 56 9.060 -20.244 2.978 1.00 0.00 O ATOM 918 ND2 ASN A 56 11.238 -20.081 2.457 1.00 0.00 N ATOM 0 H ASN A 56 7.661 -17.476 3.205 1.00 0.00 H new ATOM 0 HA ASN A 56 9.434 -18.599 5.182 1.00 0.00 H new ATOM 0 HB2 ASN A 56 9.643 -17.535 2.366 1.00 0.00 H new ATOM 0 HB3 ASN A 56 11.108 -17.742 3.306 1.00 0.00 H new ATOM 0 HD21 ASN A 56 11.302 -21.071 2.221 1.00 0.00 H new ATOM 0 HD22 ASN A 56 12.061 -19.484 2.379 1.00 0.00 H new ATOM 925 N THR A 57 9.264 -15.368 4.740 1.00 0.00 N ATOM 926 CA THR A 57 9.688 -14.079 5.276 1.00 0.00 C ATOM 927 C THR A 57 8.486 -13.255 5.725 1.00 0.00 C ATOM 928 O THR A 57 8.438 -12.776 6.858 1.00 0.00 O ATOM 929 CB THR A 57 10.489 -13.306 4.228 1.00 0.00 C ATOM 930 OG1 THR A 57 10.636 -11.950 4.610 1.00 0.00 O ATOM 931 CG2 THR A 57 9.858 -13.330 2.852 1.00 0.00 C ATOM 0 H THR A 57 8.500 -15.314 4.066 1.00 0.00 H new ATOM 0 HA THR A 57 10.322 -14.265 6.143 1.00 0.00 H new ATOM 0 HB THR A 57 11.455 -13.809 4.175 1.00 0.00 H new ATOM 0 HG1 THR A 57 11.152 -11.472 3.928 1.00 0.00 H new ATOM 0 HG21 THR A 57 10.478 -12.763 2.158 1.00 0.00 H new ATOM 0 HG22 THR A 57 9.777 -14.361 2.507 1.00 0.00 H new ATOM 0 HG23 THR A 57 8.865 -12.884 2.899 1.00 0.00 H new ATOM 939 N PHE A 58 7.519 -13.093 4.829 1.00 0.00 N ATOM 940 CA PHE A 58 6.317 -12.325 5.132 1.00 0.00 C ATOM 941 C PHE A 58 6.668 -10.883 5.493 1.00 0.00 C ATOM 942 O PHE A 58 7.825 -10.568 5.769 1.00 0.00 O ATOM 943 CB PHE A 58 5.543 -12.982 6.278 1.00 0.00 C ATOM 944 CG PHE A 58 4.149 -13.397 5.899 1.00 0.00 C ATOM 945 CD1 PHE A 58 3.937 -14.272 4.845 1.00 0.00 C ATOM 946 CD2 PHE A 58 3.054 -12.914 6.595 1.00 0.00 C ATOM 947 CE1 PHE A 58 2.656 -14.656 4.493 1.00 0.00 C ATOM 948 CE2 PHE A 58 1.772 -13.295 6.249 1.00 0.00 C ATOM 949 CZ PHE A 58 1.573 -14.168 5.196 1.00 0.00 C ATOM 0 H PHE A 58 7.544 -13.483 3.887 1.00 0.00 H new ATOM 0 HA PHE A 58 5.688 -12.312 4.242 1.00 0.00 H new ATOM 0 HB2 PHE A 58 6.093 -13.858 6.623 1.00 0.00 H new ATOM 0 HB3 PHE A 58 5.492 -12.287 7.116 1.00 0.00 H new ATOM 0 HD1 PHE A 58 4.781 -14.658 4.293 1.00 0.00 H new ATOM 0 HD2 PHE A 58 3.204 -12.231 7.418 1.00 0.00 H new ATOM 0 HE1 PHE A 58 2.503 -15.337 3.669 1.00 0.00 H new ATOM 0 HE2 PHE A 58 0.926 -12.911 6.800 1.00 0.00 H new ATOM 0 HZ PHE A 58 0.572 -14.468 4.924 1.00 0.00 H new ATOM 959 N PRO A 59 5.667 -9.984 5.496 1.00 0.00 N ATOM 960 CA PRO A 59 5.866 -8.572 5.822 1.00 0.00 C ATOM 961 C PRO A 59 6.010 -8.330 7.324 1.00 0.00 C ATOM 962 O PRO A 59 6.178 -7.192 7.763 1.00 0.00 O ATOM 963 CB PRO A 59 4.592 -7.888 5.294 1.00 0.00 C ATOM 964 CG PRO A 59 3.798 -8.957 4.609 1.00 0.00 C ATOM 965 CD PRO A 59 4.265 -10.264 5.179 1.00 0.00 C ATOM 0 HA PRO A 59 6.786 -8.188 5.381 1.00 0.00 H new ATOM 0 HB2 PRO A 59 4.023 -7.442 6.110 1.00 0.00 H new ATOM 0 HB3 PRO A 59 4.840 -7.083 4.602 1.00 0.00 H new ATOM 0 HG2 PRO A 59 2.731 -8.818 4.781 1.00 0.00 H new ATOM 0 HG3 PRO A 59 3.954 -8.926 3.531 1.00 0.00 H new ATOM 0 HD2 PRO A 59 3.697 -10.547 6.065 1.00 0.00 H new ATOM 0 HD3 PRO A 59 4.165 -11.079 4.462 1.00 0.00 H new ATOM 973 N ASN A 60 5.937 -9.402 8.110 1.00 0.00 N ATOM 974 CA ASN A 60 6.054 -9.295 9.560 1.00 0.00 C ATOM 975 C ASN A 60 4.904 -8.472 10.138 1.00 0.00 C ATOM 976 O ASN A 60 5.007 -7.928 11.238 1.00 0.00 O ATOM 977 CB ASN A 60 7.399 -8.671 9.943 1.00 0.00 C ATOM 978 CG ASN A 60 7.599 -8.580 11.445 1.00 0.00 C ATOM 979 OD1 ASN A 60 8.139 -7.596 11.951 1.00 0.00 O ATOM 980 ND2 ASN A 60 7.164 -9.606 12.169 1.00 0.00 N ATOM 0 H ASN A 60 5.798 -10.352 7.767 1.00 0.00 H new ATOM 0 HA ASN A 60 6.002 -10.299 9.981 1.00 0.00 H new ATOM 0 HB2 ASN A 60 8.205 -9.262 9.509 1.00 0.00 H new ATOM 0 HB3 ASN A 60 7.467 -7.673 9.511 1.00 0.00 H new ATOM 0 HD21 ASN A 60 7.272 -9.597 13.183 1.00 0.00 H new ATOM 0 HD22 ASN A 60 6.722 -10.403 11.710 1.00 0.00 H new ATOM 987 N PHE A 61 3.808 -8.388 9.391 1.00 0.00 N ATOM 988 CA PHE A 61 2.639 -7.637 9.830 1.00 0.00 C ATOM 989 C PHE A 61 1.442 -8.565 10.003 1.00 0.00 C ATOM 990 O PHE A 61 0.985 -8.796 11.120 1.00 0.00 O ATOM 991 CB PHE A 61 2.305 -6.534 8.825 1.00 0.00 C ATOM 992 CG PHE A 61 1.748 -5.292 9.460 1.00 0.00 C ATOM 993 CD1 PHE A 61 0.772 -5.379 10.441 1.00 0.00 C ATOM 994 CD2 PHE A 61 2.198 -4.039 9.077 1.00 0.00 C ATOM 995 CE1 PHE A 61 0.258 -4.239 11.028 1.00 0.00 C ATOM 996 CE2 PHE A 61 1.687 -2.896 9.660 1.00 0.00 C ATOM 997 CZ PHE A 61 0.715 -2.995 10.637 1.00 0.00 C ATOM 0 H PHE A 61 3.706 -8.831 8.478 1.00 0.00 H new ATOM 0 HA PHE A 61 2.868 -7.178 10.792 1.00 0.00 H new ATOM 0 HB2 PHE A 61 3.206 -6.275 8.269 1.00 0.00 H new ATOM 0 HB3 PHE A 61 1.584 -6.918 8.103 1.00 0.00 H new ATOM 0 HD1 PHE A 61 0.410 -6.349 10.750 1.00 0.00 H new ATOM 0 HD2 PHE A 61 2.957 -3.955 8.314 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -0.501 -4.320 11.792 1.00 0.00 H new ATOM 0 HE2 PHE A 61 2.047 -1.925 9.352 1.00 0.00 H new ATOM 0 HZ PHE A 61 0.314 -2.102 11.094 1.00 0.00 H new ATOM 1007 N THR A 62 0.947 -9.099 8.884 1.00 0.00 N ATOM 1008 CA THR A 62 -0.195 -10.018 8.881 1.00 0.00 C ATOM 1009 C THR A 62 -1.529 -9.265 8.893 1.00 0.00 C ATOM 1010 O THR A 62 -2.489 -9.690 8.250 1.00 0.00 O ATOM 1011 CB THR A 62 -0.104 -11.012 10.054 1.00 0.00 C ATOM 1012 OG1 THR A 62 -0.496 -12.306 9.637 1.00 0.00 O ATOM 1013 CG2 THR A 62 -0.955 -10.649 11.257 1.00 0.00 C ATOM 0 H THR A 62 1.325 -8.907 7.956 1.00 0.00 H new ATOM 0 HA THR A 62 -0.156 -10.587 7.952 1.00 0.00 H new ATOM 0 HB THR A 62 0.941 -10.977 10.361 1.00 0.00 H new ATOM 0 HG1 THR A 62 -1.266 -12.601 10.167 1.00 0.00 H new ATOM 0 HG21 THR A 62 -0.829 -11.404 12.033 1.00 0.00 H new ATOM 0 HG22 THR A 62 -0.645 -9.677 11.642 1.00 0.00 H new ATOM 0 HG23 THR A 62 -2.003 -10.605 10.961 1.00 0.00 H new ATOM 1021 N PHE A 63 -1.591 -8.153 9.621 1.00 0.00 N ATOM 1022 CA PHE A 63 -2.817 -7.360 9.702 1.00 0.00 C ATOM 1023 C PHE A 63 -4.020 -8.255 9.993 1.00 0.00 C ATOM 1024 O PHE A 63 -5.076 -8.117 9.375 1.00 0.00 O ATOM 1025 CB PHE A 63 -3.050 -6.587 8.399 1.00 0.00 C ATOM 1026 CG PHE A 63 -1.785 -6.194 7.687 1.00 0.00 C ATOM 1027 CD1 PHE A 63 -1.146 -7.087 6.842 1.00 0.00 C ATOM 1028 CD2 PHE A 63 -1.238 -4.933 7.860 1.00 0.00 C ATOM 1029 CE1 PHE A 63 0.016 -6.729 6.183 1.00 0.00 C ATOM 1030 CE2 PHE A 63 -0.077 -4.570 7.205 1.00 0.00 C ATOM 1031 CZ PHE A 63 0.550 -5.469 6.366 1.00 0.00 C ATOM 0 H PHE A 63 -0.810 -7.781 10.162 1.00 0.00 H new ATOM 0 HA PHE A 63 -2.701 -6.647 10.519 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -3.657 -7.197 7.730 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -3.625 -5.688 8.620 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -1.560 -8.074 6.696 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -1.725 -4.225 8.515 1.00 0.00 H new ATOM 0 HE1 PHE A 63 0.505 -7.434 5.527 1.00 0.00 H new ATOM 0 HE2 PHE A 63 0.339 -3.584 7.349 1.00 0.00 H new ATOM 0 HZ PHE A 63 1.458 -5.187 5.853 1.00 0.00 H new ATOM 1041 N GLU A 64 -3.846 -9.180 10.932 1.00 0.00 N ATOM 1042 CA GLU A 64 -4.907 -10.109 11.304 1.00 0.00 C ATOM 1043 C GLU A 64 -5.147 -11.130 10.196 1.00 0.00 C ATOM 1044 O GLU A 64 -6.258 -11.634 10.032 1.00 0.00 O ATOM 1045 CB GLU A 64 -6.204 -9.353 11.608 1.00 0.00 C ATOM 1046 CG GLU A 64 -6.000 -8.114 12.464 1.00 0.00 C ATOM 1047 CD GLU A 64 -6.076 -6.831 11.660 1.00 0.00 C ATOM 1048 OE1 GLU A 64 -7.018 -6.690 10.853 1.00 0.00 O ATOM 1049 OE2 GLU A 64 -5.192 -5.965 11.837 1.00 0.00 O ATOM 0 H GLU A 64 -2.977 -9.306 11.451 1.00 0.00 H new ATOM 0 HA GLU A 64 -4.590 -10.638 12.202 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -6.674 -9.062 10.668 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -6.896 -10.025 12.116 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -6.755 -8.091 13.250 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -5.029 -8.173 12.956 1.00 0.00 H new ATOM 1056 N ASP A 65 -4.096 -11.432 9.435 1.00 0.00 N ATOM 1057 CA ASP A 65 -4.197 -12.394 8.342 1.00 0.00 C ATOM 1058 C ASP A 65 -4.313 -13.819 8.879 1.00 0.00 C ATOM 1059 O ASP A 65 -4.095 -14.063 10.064 1.00 0.00 O ATOM 1060 CB ASP A 65 -2.980 -12.283 7.423 1.00 0.00 C ATOM 1061 CG ASP A 65 -3.237 -11.384 6.229 1.00 0.00 C ATOM 1062 OD1 ASP A 65 -4.134 -10.520 6.319 1.00 0.00 O ATOM 1063 OD2 ASP A 65 -2.542 -11.544 5.205 1.00 0.00 O ATOM 0 H ASP A 65 -3.168 -11.025 9.556 1.00 0.00 H new ATOM 0 HA ASP A 65 -5.097 -12.164 7.772 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -2.134 -11.896 7.990 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -2.701 -13.277 7.073 1.00 0.00 H new ATOM 1068 N PRO A 66 -4.656 -14.783 8.003 1.00 0.00 N ATOM 1069 CA PRO A 66 -4.807 -16.200 8.374 1.00 0.00 C ATOM 1070 C PRO A 66 -3.691 -16.718 9.267 1.00 0.00 C ATOM 1071 O PRO A 66 -3.845 -17.745 9.926 1.00 0.00 O ATOM 1072 CB PRO A 66 -4.786 -16.899 7.026 1.00 0.00 C ATOM 1073 CG PRO A 66 -5.450 -15.919 6.139 1.00 0.00 C ATOM 1074 CD PRO A 66 -4.929 -14.577 6.569 1.00 0.00 C ATOM 0 HA PRO A 66 -5.710 -16.371 8.960 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -3.769 -17.117 6.699 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -5.322 -17.848 7.054 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -5.216 -16.115 5.092 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -6.534 -15.970 6.238 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -4.029 -14.297 6.021 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -5.661 -13.786 6.405 1.00 0.00 H new ATOM 1082 N LYS A 67 -2.576 -15.999 9.313 1.00 0.00 N ATOM 1083 CA LYS A 67 -1.462 -16.394 10.158 1.00 0.00 C ATOM 1084 C LYS A 67 -1.890 -16.450 11.627 1.00 0.00 C ATOM 1085 O LYS A 67 -1.075 -16.734 12.504 1.00 0.00 O ATOM 1086 CB LYS A 67 -0.295 -15.417 9.988 1.00 0.00 C ATOM 1087 CG LYS A 67 0.862 -15.988 9.186 1.00 0.00 C ATOM 1088 CD LYS A 67 1.964 -14.960 8.989 1.00 0.00 C ATOM 1089 CE LYS A 67 2.692 -14.666 10.291 1.00 0.00 C ATOM 1090 NZ LYS A 67 3.982 -15.404 10.385 1.00 0.00 N ATOM 0 H LYS A 67 -2.422 -15.145 8.778 1.00 0.00 H new ATOM 0 HA LYS A 67 -1.138 -17.389 9.854 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -0.656 -14.514 9.497 1.00 0.00 H new ATOM 0 HB3 LYS A 67 0.067 -15.121 10.973 1.00 0.00 H new ATOM 0 HG2 LYS A 67 1.265 -16.862 9.698 1.00 0.00 H new ATOM 0 HG3 LYS A 67 0.501 -16.327 8.215 1.00 0.00 H new ATOM 0 HD2 LYS A 67 2.675 -15.325 8.248 1.00 0.00 H new ATOM 0 HD3 LYS A 67 1.537 -14.038 8.594 1.00 0.00 H new ATOM 0 HE2 LYS A 67 2.880 -13.595 10.368 1.00 0.00 H new ATOM 0 HE3 LYS A 67 2.055 -14.939 11.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 4.447 -15.176 11.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 3.801 -16.427 10.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 4.600 -15.125 9.597 1.00 0.00 H new ATOM 1104 N PHE A 68 -3.175 -16.182 11.897 1.00 0.00 N ATOM 1105 CA PHE A 68 -3.684 -16.215 13.266 1.00 0.00 C ATOM 1106 C PHE A 68 -4.145 -17.620 13.658 1.00 0.00 C ATOM 1107 O PHE A 68 -4.933 -17.783 14.590 1.00 0.00 O ATOM 1108 CB PHE A 68 -4.838 -15.222 13.440 1.00 0.00 C ATOM 1109 CG PHE A 68 -5.945 -15.380 12.432 1.00 0.00 C ATOM 1110 CD1 PHE A 68 -6.700 -16.541 12.380 1.00 0.00 C ATOM 1111 CD2 PHE A 68 -6.228 -14.362 11.537 1.00 0.00 C ATOM 1112 CE1 PHE A 68 -7.717 -16.682 11.454 1.00 0.00 C ATOM 1113 CE2 PHE A 68 -7.241 -14.497 10.608 1.00 0.00 C ATOM 1114 CZ PHE A 68 -7.987 -15.659 10.566 1.00 0.00 C ATOM 0 H PHE A 68 -3.871 -15.943 11.191 1.00 0.00 H new ATOM 0 HA PHE A 68 -2.864 -15.927 13.924 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -5.254 -15.337 14.441 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -4.443 -14.208 13.374 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -6.492 -17.345 13.071 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -5.649 -13.451 11.566 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -8.300 -17.591 11.425 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -7.450 -13.695 9.915 1.00 0.00 H new ATOM 0 HZ PHE A 68 -8.780 -15.767 9.840 1.00 0.00 H new ATOM 1124 N GLU A 69 -3.652 -18.632 12.945 1.00 0.00 N ATOM 1125 CA GLU A 69 -4.015 -20.018 13.225 1.00 0.00 C ATOM 1126 C GLU A 69 -5.450 -20.304 12.795 1.00 0.00 C ATOM 1127 O GLU A 69 -6.384 -19.621 13.216 1.00 0.00 O ATOM 1128 CB GLU A 69 -3.845 -20.330 14.715 1.00 0.00 C ATOM 1129 CG GLU A 69 -3.729 -21.815 15.015 1.00 0.00 C ATOM 1130 CD GLU A 69 -2.311 -22.331 14.872 1.00 0.00 C ATOM 1131 OE1 GLU A 69 -1.504 -21.666 14.190 1.00 0.00 O ATOM 1132 OE2 GLU A 69 -2.008 -23.400 15.443 1.00 0.00 O ATOM 0 H GLU A 69 -3.000 -18.517 12.169 1.00 0.00 H new ATOM 0 HA GLU A 69 -3.347 -20.660 12.651 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -2.954 -19.822 15.085 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -4.695 -19.922 15.263 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -4.080 -22.005 16.029 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -4.383 -22.370 14.342 1.00 0.00 H new ATOM 1139 N VAL A 70 -5.617 -21.319 11.953 1.00 0.00 N ATOM 1140 CA VAL A 70 -6.937 -21.699 11.464 1.00 0.00 C ATOM 1141 C VAL A 70 -7.071 -23.215 11.369 1.00 0.00 C ATOM 1142 O VAL A 70 -8.065 -23.790 11.814 1.00 0.00 O ATOM 1143 CB VAL A 70 -7.224 -21.084 10.081 1.00 0.00 C ATOM 1144 CG1 VAL A 70 -7.437 -19.583 10.198 1.00 0.00 C ATOM 1145 CG2 VAL A 70 -6.093 -21.396 9.113 1.00 0.00 C ATOM 0 H VAL A 70 -4.854 -21.893 11.595 1.00 0.00 H new ATOM 0 HA VAL A 70 -7.662 -21.315 12.182 1.00 0.00 H new ATOM 0 HB VAL A 70 -8.139 -21.528 9.689 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -7.638 -19.166 9.211 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -8.284 -19.386 10.855 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -6.541 -19.120 10.612 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -6.313 -20.954 8.141 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -5.161 -20.982 9.497 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -5.994 -22.476 9.006 1.00 0.00 H new ATOM 1155 N VAL A 71 -6.064 -23.858 10.788 1.00 0.00 N ATOM 1156 CA VAL A 71 -6.067 -25.308 10.635 1.00 0.00 C ATOM 1157 C VAL A 71 -4.651 -25.840 10.433 1.00 0.00 C ATOM 1158 O VAL A 71 -4.380 -26.576 9.483 1.00 0.00 O ATOM 1159 CB VAL A 71 -6.952 -25.744 9.449 1.00 0.00 C ATOM 1160 CG1 VAL A 71 -6.423 -25.168 8.144 1.00 0.00 C ATOM 1161 CG2 VAL A 71 -7.039 -27.262 9.374 1.00 0.00 C ATOM 0 H VAL A 71 -5.234 -23.397 10.415 1.00 0.00 H new ATOM 0 HA VAL A 71 -6.478 -25.727 11.553 1.00 0.00 H new ATOM 0 HB VAL A 71 -7.957 -25.353 9.610 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -7.061 -25.487 7.320 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -6.421 -24.079 8.201 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -5.407 -25.524 7.975 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -7.668 -27.549 8.531 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -6.040 -27.678 9.240 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -7.472 -27.648 10.297 1.00 0.00 H new ATOM 1171 N GLU A 72 -3.749 -25.464 11.334 1.00 0.00 N ATOM 1172 CA GLU A 72 -2.361 -25.903 11.255 1.00 0.00 C ATOM 1173 C GLU A 72 -2.247 -27.401 11.521 1.00 0.00 C ATOM 1174 O GLU A 72 -1.788 -27.821 12.584 1.00 0.00 O ATOM 1175 CB GLU A 72 -1.502 -25.126 12.256 1.00 0.00 C ATOM 1176 CG GLU A 72 -0.084 -24.875 11.773 1.00 0.00 C ATOM 1177 CD GLU A 72 0.925 -25.808 12.415 1.00 0.00 C ATOM 1178 OE1 GLU A 72 0.512 -26.875 12.917 1.00 0.00 O ATOM 1179 OE2 GLU A 72 2.128 -25.472 12.417 1.00 0.00 O ATOM 0 H GLU A 72 -3.955 -24.856 12.127 1.00 0.00 H new ATOM 0 HA GLU A 72 -1.999 -25.705 10.246 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -1.980 -24.169 12.467 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -1.465 -25.678 13.195 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -0.046 -24.995 10.690 1.00 0.00 H new ATOM 0 HG3 GLU A 72 0.192 -23.843 11.989 1.00 0.00 H new ATOM 1186 N LYS A 73 -2.667 -28.202 10.548 1.00 0.00 N ATOM 1187 CA LYS A 73 -2.611 -29.654 10.676 1.00 0.00 C ATOM 1188 C LYS A 73 -2.269 -30.305 9.337 1.00 0.00 C ATOM 1189 O LYS A 73 -2.989 -31.184 8.861 1.00 0.00 O ATOM 1190 CB LYS A 73 -3.948 -30.191 11.194 1.00 0.00 C ATOM 1191 CG LYS A 73 -4.233 -29.820 12.640 1.00 0.00 C ATOM 1192 CD LYS A 73 -5.724 -29.670 12.892 1.00 0.00 C ATOM 1193 CE LYS A 73 -6.104 -30.151 14.284 1.00 0.00 C ATOM 1194 NZ LYS A 73 -6.643 -31.539 14.265 1.00 0.00 N ATOM 0 H LYS A 73 -3.050 -27.871 9.662 1.00 0.00 H new ATOM 0 HA LYS A 73 -1.826 -29.903 11.390 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -4.752 -29.809 10.564 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -3.956 -31.277 11.098 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -3.826 -30.586 13.300 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -3.726 -28.887 12.884 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -6.011 -28.625 12.776 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -6.279 -30.238 12.145 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -5.229 -30.110 14.933 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -6.849 -29.478 14.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -6.890 -31.829 15.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -7.492 -31.573 13.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -5.924 -32.186 13.883 1.00 0.00 H new ATOM 1208 N PRO A 74 -1.159 -29.880 8.709 1.00 0.00 N ATOM 1209 CA PRO A 74 -0.723 -30.426 7.420 1.00 0.00 C ATOM 1210 C PRO A 74 -0.192 -31.850 7.544 1.00 0.00 C ATOM 1211 O PRO A 74 1.001 -32.060 7.768 1.00 0.00 O ATOM 1212 CB PRO A 74 0.393 -29.473 6.991 1.00 0.00 C ATOM 1213 CG PRO A 74 0.929 -28.921 8.266 1.00 0.00 C ATOM 1214 CD PRO A 74 -0.243 -28.836 9.206 1.00 0.00 C ATOM 0 HA PRO A 74 -1.544 -30.491 6.705 1.00 0.00 H new ATOM 0 HB2 PRO A 74 1.167 -29.997 6.430 1.00 0.00 H new ATOM 0 HB3 PRO A 74 0.012 -28.681 6.346 1.00 0.00 H new ATOM 0 HG2 PRO A 74 1.709 -29.565 8.672 1.00 0.00 H new ATOM 0 HG3 PRO A 74 1.375 -27.939 8.109 1.00 0.00 H new ATOM 0 HD2 PRO A 74 0.056 -29.022 10.238 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -0.707 -27.850 9.181 1.00 0.00 H new ATOM 1222 N GLN A 75 -1.083 -32.825 7.397 1.00 0.00 N ATOM 1223 CA GLN A 75 -0.702 -34.229 7.493 1.00 0.00 C ATOM 1224 C GLN A 75 -1.747 -35.122 6.831 1.00 0.00 C ATOM 1225 O GLN A 75 -1.417 -35.964 5.996 1.00 0.00 O ATOM 1226 CB GLN A 75 -0.525 -34.632 8.958 1.00 0.00 C ATOM 1227 CG GLN A 75 -1.645 -34.143 9.864 1.00 0.00 C ATOM 1228 CD GLN A 75 -1.263 -34.175 11.331 1.00 0.00 C ATOM 1229 OE1 GLN A 75 -0.361 -34.909 11.733 1.00 0.00 O ATOM 1230 NE2 GLN A 75 -1.952 -33.378 12.139 1.00 0.00 N ATOM 0 H GLN A 75 -2.074 -32.668 7.211 1.00 0.00 H new ATOM 0 HA GLN A 75 0.246 -34.359 6.970 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -0.465 -35.718 9.023 1.00 0.00 H new ATOM 0 HB3 GLN A 75 0.424 -34.238 9.322 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -1.915 -33.125 9.585 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -2.529 -34.761 9.709 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -2.692 -32.786 11.762 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -1.741 -33.358 13.137 1.00 0.00 H new ATOM 1239 N SER A 76 -3.006 -34.932 7.208 1.00 0.00 N ATOM 1240 CA SER A 76 -4.098 -35.721 6.651 1.00 0.00 C ATOM 1241 C SER A 76 -4.460 -35.235 5.251 1.00 0.00 C ATOM 1242 O SER A 76 -5.194 -34.230 5.144 1.00 0.00 O ATOM 1243 CB SER A 76 -5.326 -35.646 7.561 1.00 0.00 C ATOM 1244 OG SER A 76 -5.058 -36.225 8.828 1.00 0.00 O ATOM 1245 OXT SER A 76 -4.006 -35.863 4.272 1.00 0.00 O ATOM 0 H SER A 76 -3.296 -34.238 7.897 1.00 0.00 H new ATOM 0 HA SER A 76 -3.767 -36.757 6.584 1.00 0.00 H new ATOM 0 HB2 SER A 76 -5.625 -34.606 7.689 1.00 0.00 H new ATOM 0 HB3 SER A 76 -6.163 -36.163 7.091 1.00 0.00 H new ATOM 0 HG SER A 76 -5.857 -36.163 9.392 1.00 0.00 H new TER 1251 SER A 76