USER MOD reduce.3.24.130724 H: found=0, std=0, add=801, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 799 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -176:sc= 0 (180deg=-0.0137) USER MOD Single : A 2 THR OG1 : rot 50:sc= 0.0338 USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 ASN : amide:sc= 0.314 X(o=0.31,f=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.0544 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -0.086 X(o=-0.086,f=-0.023) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0.0166 USER MOD Single : A 52 GLN : amide:sc= 0.148 X(o=0.15,f=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ -123:sc= -0.0478 (180deg=-2.13!) USER MOD Single : A 62 LYS NZ :NH3+ 144:sc= 0.179 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0.0168 USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 ASN : amide:sc=-0.00254 K(o=-0.0025,f=-0.98) USER MOD Single : A 78 HIS : no HE2:sc= -1.18 K(o=-1.2,f=-2.4) USER MOD Single : A 80 TYR OH : rot -155:sc= -0.612 USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 ASN : amide:sc= -0.106 K(o=-0.11,f=-0.78) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 71:sc= 0.446 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -15.595 8.332 -15.859 1.00 0.00 N ATOM 2 CA MET A 1 -14.868 9.148 -14.855 1.00 0.00 C ATOM 3 C MET A 1 -15.447 8.922 -13.466 1.00 0.00 C ATOM 4 O MET A 1 -16.663 8.895 -13.290 1.00 0.00 O ATOM 5 CB MET A 1 -14.954 10.631 -15.219 1.00 0.00 C ATOM 6 CG MET A 1 -14.089 11.004 -16.408 1.00 0.00 C ATOM 7 SD MET A 1 -14.169 12.759 -16.809 1.00 0.00 S ATOM 8 CE MET A 1 -13.093 12.814 -18.240 1.00 0.00 C ATOM 0 H1 MET A 1 -15.145 8.445 -16.790 1.00 0.00 H new ATOM 0 H2 MET A 1 -15.565 7.331 -15.580 1.00 0.00 H new ATOM 0 H3 MET A 1 -16.585 8.648 -15.912 1.00 0.00 H new ATOM 0 HA MET A 1 -13.822 8.842 -14.853 1.00 0.00 H new ATOM 0 HB2 MET A 1 -15.991 10.885 -15.438 1.00 0.00 H new ATOM 0 HB3 MET A 1 -14.654 11.228 -14.358 1.00 0.00 H new ATOM 0 HG2 MET A 1 -13.055 10.731 -16.199 1.00 0.00 H new ATOM 0 HG3 MET A 1 -14.403 10.423 -17.276 1.00 0.00 H new ATOM 0 HE1 MET A 1 -13.034 13.837 -18.612 1.00 0.00 H new ATOM 0 HE2 MET A 1 -12.097 12.472 -17.959 1.00 0.00 H new ATOM 0 HE3 MET A 1 -13.492 12.166 -19.021 1.00 0.00 H new ATOM 18 N THR A 2 -14.570 8.750 -12.485 1.00 0.00 N ATOM 19 CA THR A 2 -15.000 8.522 -11.112 1.00 0.00 C ATOM 20 C THR A 2 -14.641 9.711 -10.221 1.00 0.00 C ATOM 21 O THR A 2 -13.500 9.848 -9.791 1.00 0.00 O ATOM 22 CB THR A 2 -14.371 7.235 -10.542 1.00 0.00 C ATOM 23 OG1 THR A 2 -12.998 7.140 -10.938 1.00 0.00 O ATOM 24 CG2 THR A 2 -15.123 6.007 -11.035 1.00 0.00 C ATOM 0 H THR A 2 -13.558 8.764 -12.615 1.00 0.00 H new ATOM 0 HA THR A 2 -16.084 8.407 -11.124 1.00 0.00 H new ATOM 0 HB THR A 2 -14.434 7.278 -9.455 1.00 0.00 H new ATOM 0 HG1 THR A 2 -12.542 7.985 -10.743 1.00 0.00 H new ATOM 0 HG21 THR A 2 -14.664 5.109 -10.622 1.00 0.00 H new ATOM 0 HG22 THR A 2 -16.163 6.064 -10.713 1.00 0.00 H new ATOM 0 HG23 THR A 2 -15.082 5.968 -12.124 1.00 0.00 H new ATOM 32 N PRO A 3 -15.620 10.597 -9.945 1.00 0.00 N ATOM 33 CA PRO A 3 -15.410 11.788 -9.105 1.00 0.00 C ATOM 34 C PRO A 3 -15.019 11.440 -7.670 1.00 0.00 C ATOM 35 O PRO A 3 -14.253 12.165 -7.040 1.00 0.00 O ATOM 36 CB PRO A 3 -16.771 12.498 -9.130 1.00 0.00 C ATOM 37 CG PRO A 3 -17.496 11.920 -10.296 1.00 0.00 C ATOM 38 CD PRO A 3 -17.005 10.509 -10.429 1.00 0.00 C ATOM 0 HA PRO A 3 -14.588 12.398 -9.480 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -17.319 12.329 -8.203 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -16.650 13.576 -9.237 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -18.574 11.945 -10.137 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -17.295 12.490 -11.203 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -17.598 9.817 -9.832 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -17.051 10.161 -11.461 1.00 0.00 H new ATOM 46 N GLU A 4 -15.551 10.331 -7.161 1.00 0.00 N ATOM 47 CA GLU A 4 -15.257 9.887 -5.802 1.00 0.00 C ATOM 48 C GLU A 4 -13.841 9.332 -5.692 1.00 0.00 C ATOM 49 O GLU A 4 -13.140 9.584 -4.713 1.00 0.00 O ATOM 50 CB GLU A 4 -16.263 8.821 -5.365 1.00 0.00 C ATOM 51 CG GLU A 4 -16.535 8.824 -3.870 1.00 0.00 C ATOM 52 CD GLU A 4 -17.500 9.918 -3.456 1.00 0.00 C ATOM 53 OE1 GLU A 4 -18.725 9.684 -3.519 1.00 0.00 O ATOM 54 OE2 GLU A 4 -17.031 11.010 -3.072 1.00 0.00 O ATOM 0 H GLU A 4 -16.190 9.722 -7.672 1.00 0.00 H new ATOM 0 HA GLU A 4 -15.337 10.754 -5.146 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -17.201 8.977 -5.898 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -15.890 7.839 -5.657 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -16.941 7.856 -3.576 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -15.595 8.952 -3.333 1.00 0.00 H new ATOM 61 N GLN A 5 -13.418 8.585 -6.706 1.00 0.00 N ATOM 62 CA GLN A 5 -12.091 7.987 -6.707 1.00 0.00 C ATOM 63 C GLN A 5 -11.014 9.033 -6.962 1.00 0.00 C ATOM 64 O GLN A 5 -9.955 9.003 -6.340 1.00 0.00 O ATOM 65 CB GLN A 5 -12.001 6.882 -7.759 1.00 0.00 C ATOM 66 CG GLN A 5 -11.036 5.768 -7.388 1.00 0.00 C ATOM 67 CD GLN A 5 -10.984 4.670 -8.431 1.00 0.00 C ATOM 68 OE1 GLN A 5 -11.739 3.700 -8.368 1.00 0.00 O ATOM 69 NE2 GLN A 5 -10.087 4.817 -9.397 1.00 0.00 N ATOM 0 H GLN A 5 -13.975 8.380 -7.536 1.00 0.00 H new ATOM 0 HA GLN A 5 -11.923 7.555 -5.721 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -12.993 6.456 -7.913 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -11.691 7.319 -8.708 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -10.038 6.186 -7.256 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -11.332 5.340 -6.430 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -9.481 5.638 -9.410 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -10.003 4.109 -10.127 1.00 0.00 H new ATOM 78 N ARG A 6 -11.295 9.961 -7.872 1.00 0.00 N ATOM 79 CA ARG A 6 -10.344 11.014 -8.223 1.00 0.00 C ATOM 80 C ARG A 6 -10.247 12.097 -7.144 1.00 0.00 C ATOM 81 O ARG A 6 -9.351 12.939 -7.187 1.00 0.00 O ATOM 82 CB ARG A 6 -10.731 11.646 -9.559 1.00 0.00 C ATOM 83 CG ARG A 6 -10.418 10.766 -10.758 1.00 0.00 C ATOM 84 CD ARG A 6 -10.813 11.446 -12.059 1.00 0.00 C ATOM 85 NE ARG A 6 -10.536 10.608 -13.224 1.00 0.00 N ATOM 86 CZ ARG A 6 -10.722 11.009 -14.479 1.00 0.00 C ATOM 87 NH1 ARG A 6 -11.181 12.228 -14.731 1.00 0.00 N ATOM 88 NH2 ARG A 6 -10.448 10.191 -15.485 1.00 0.00 N ATOM 0 H ARG A 6 -12.177 10.006 -8.382 1.00 0.00 H new ATOM 0 HA ARG A 6 -9.363 10.547 -8.305 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -11.798 11.870 -9.551 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -10.207 12.596 -9.668 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -9.353 10.535 -10.774 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -10.948 9.818 -10.665 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -11.875 11.689 -12.032 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -10.273 12.388 -12.154 1.00 0.00 H new ATOM 0 HE ARG A 6 -10.181 9.665 -13.066 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -11.393 12.862 -13.961 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -11.322 12.531 -15.695 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -10.094 9.253 -15.298 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -10.591 10.500 -16.447 1.00 0.00 H new ATOM 102 N GLU A 7 -11.171 12.084 -6.188 1.00 0.00 N ATOM 103 CA GLU A 7 -11.164 13.074 -5.115 1.00 0.00 C ATOM 104 C GLU A 7 -10.464 12.555 -3.859 1.00 0.00 C ATOM 105 O GLU A 7 -10.170 13.327 -2.948 1.00 0.00 O ATOM 106 CB GLU A 7 -12.593 13.498 -4.767 1.00 0.00 C ATOM 107 CG GLU A 7 -12.710 14.951 -4.327 1.00 0.00 C ATOM 108 CD GLU A 7 -12.673 15.919 -5.494 1.00 0.00 C ATOM 109 OE1 GLU A 7 -13.747 16.209 -6.060 1.00 0.00 O ATOM 110 OE2 GLU A 7 -11.567 16.386 -5.843 1.00 0.00 O ATOM 0 H GLU A 7 -11.929 11.404 -6.134 1.00 0.00 H new ATOM 0 HA GLU A 7 -10.605 13.936 -5.480 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -13.232 13.338 -5.636 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -12.970 12.855 -3.971 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -13.641 15.086 -3.777 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -11.897 15.185 -3.640 1.00 0.00 H new ATOM 117 N PHE A 8 -10.187 11.254 -3.802 1.00 0.00 N ATOM 118 CA PHE A 8 -9.553 10.681 -2.614 1.00 0.00 C ATOM 119 C PHE A 8 -8.224 9.983 -2.916 1.00 0.00 C ATOM 120 O PHE A 8 -7.248 10.165 -2.186 1.00 0.00 O ATOM 121 CB PHE A 8 -10.517 9.702 -1.936 1.00 0.00 C ATOM 122 CG PHE A 8 -11.645 10.379 -1.207 1.00 0.00 C ATOM 123 CD1 PHE A 8 -11.511 10.740 0.124 1.00 0.00 C ATOM 124 CD2 PHE A 8 -12.836 10.662 -1.857 1.00 0.00 C ATOM 125 CE1 PHE A 8 -12.545 11.366 0.793 1.00 0.00 C ATOM 126 CE2 PHE A 8 -13.874 11.287 -1.193 1.00 0.00 C ATOM 127 CZ PHE A 8 -13.728 11.642 0.133 1.00 0.00 C ATOM 0 H PHE A 8 -10.386 10.587 -4.548 1.00 0.00 H new ATOM 0 HA PHE A 8 -9.324 11.511 -1.946 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -10.932 9.032 -2.689 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -9.959 9.084 -1.232 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -10.588 10.530 0.644 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -12.954 10.391 -2.896 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -12.429 11.640 1.831 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -14.798 11.497 -1.711 1.00 0.00 H new ATOM 0 HZ PHE A 8 -14.536 12.134 0.654 1.00 0.00 H new ATOM 137 N LEU A 9 -8.180 9.201 -3.991 1.00 0.00 N ATOM 138 CA LEU A 9 -6.974 8.447 -4.346 1.00 0.00 C ATOM 139 C LEU A 9 -5.780 9.327 -4.768 1.00 0.00 C ATOM 140 O LEU A 9 -4.687 9.159 -4.229 1.00 0.00 O ATOM 141 CB LEU A 9 -7.280 7.423 -5.441 1.00 0.00 C ATOM 142 CG LEU A 9 -6.591 6.067 -5.269 1.00 0.00 C ATOM 143 CD1 LEU A 9 -7.385 5.177 -4.325 1.00 0.00 C ATOM 144 CD2 LEU A 9 -6.410 5.386 -6.617 1.00 0.00 C ATOM 0 H LEU A 9 -8.962 9.071 -4.633 1.00 0.00 H new ATOM 0 HA LEU A 9 -6.670 7.938 -3.431 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -8.358 7.264 -5.478 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -6.987 7.843 -6.403 1.00 0.00 H new ATOM 0 HG LEU A 9 -5.607 6.237 -4.833 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -6.878 4.218 -4.216 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -7.463 5.659 -3.350 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -8.384 5.016 -4.731 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -5.919 4.423 -6.475 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -7.384 5.231 -7.080 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.797 6.015 -7.263 1.00 0.00 H new ATOM 156 N PRO A 10 -5.941 10.269 -5.731 1.00 0.00 N ATOM 157 CA PRO A 10 -4.828 11.122 -6.193 1.00 0.00 C ATOM 158 C PRO A 10 -4.284 12.065 -5.116 1.00 0.00 C ATOM 159 O PRO A 10 -3.218 12.656 -5.288 1.00 0.00 O ATOM 160 CB PRO A 10 -5.439 11.931 -7.350 1.00 0.00 C ATOM 161 CG PRO A 10 -6.687 11.209 -7.718 1.00 0.00 C ATOM 162 CD PRO A 10 -7.185 10.584 -6.451 1.00 0.00 C ATOM 0 HA PRO A 10 -3.970 10.514 -6.478 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -5.653 12.955 -7.044 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -4.753 11.987 -8.195 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -7.427 11.893 -8.134 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -6.491 10.452 -8.477 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -7.818 11.267 -5.885 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -7.777 9.690 -6.647 1.00 0.00 H new ATOM 170 N GLU A 11 -5.006 12.199 -4.006 1.00 0.00 N ATOM 171 CA GLU A 11 -4.579 13.075 -2.920 1.00 0.00 C ATOM 172 C GLU A 11 -3.709 12.328 -1.904 1.00 0.00 C ATOM 173 O GLU A 11 -2.745 12.884 -1.377 1.00 0.00 O ATOM 174 CB GLU A 11 -5.798 13.695 -2.233 1.00 0.00 C ATOM 175 CG GLU A 11 -6.387 14.875 -2.994 1.00 0.00 C ATOM 176 CD GLU A 11 -7.295 15.728 -2.131 1.00 0.00 C ATOM 177 OE1 GLU A 11 -6.791 16.353 -1.174 1.00 0.00 O ATOM 178 OE2 GLU A 11 -8.510 15.773 -2.414 1.00 0.00 O ATOM 0 H GLU A 11 -5.887 11.713 -3.836 1.00 0.00 H new ATOM 0 HA GLU A 11 -3.971 13.871 -3.349 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -6.566 12.931 -2.112 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -5.514 14.022 -1.233 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -5.578 15.492 -3.384 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -6.949 14.506 -3.852 1.00 0.00 H new ATOM 185 N ILE A 12 -4.045 11.062 -1.644 1.00 0.00 N ATOM 186 CA ILE A 12 -3.286 10.248 -0.693 1.00 0.00 C ATOM 187 C ILE A 12 -1.973 9.758 -1.303 1.00 0.00 C ATOM 188 O ILE A 12 -0.992 9.550 -0.590 1.00 0.00 O ATOM 189 CB ILE A 12 -4.097 9.029 -0.178 1.00 0.00 C ATOM 190 CG1 ILE A 12 -4.780 8.289 -1.329 1.00 0.00 C ATOM 191 CG2 ILE A 12 -5.129 9.473 0.846 1.00 0.00 C ATOM 192 CD1 ILE A 12 -4.078 7.010 -1.736 1.00 0.00 C ATOM 0 H ILE A 12 -4.834 10.581 -2.076 1.00 0.00 H new ATOM 0 HA ILE A 12 -3.071 10.898 0.155 1.00 0.00 H new ATOM 0 HB ILE A 12 -3.398 8.341 0.298 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -5.804 8.054 -1.040 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -4.836 8.952 -2.192 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -5.689 8.606 1.197 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -4.625 9.945 1.689 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -5.814 10.186 0.387 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -4.621 6.542 -2.557 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -3.062 7.239 -2.057 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -4.045 6.327 -0.887 1.00 0.00 H new ATOM 204 N LEU A 13 -1.974 9.564 -2.626 1.00 0.00 N ATOM 205 CA LEU A 13 -0.796 9.086 -3.354 1.00 0.00 C ATOM 206 C LEU A 13 0.415 10.003 -3.153 1.00 0.00 C ATOM 207 O LEU A 13 1.531 9.529 -2.965 1.00 0.00 O ATOM 208 CB LEU A 13 -1.114 8.965 -4.848 1.00 0.00 C ATOM 209 CG LEU A 13 -1.719 7.624 -5.279 1.00 0.00 C ATOM 210 CD1 LEU A 13 -2.695 7.818 -6.428 1.00 0.00 C ATOM 211 CD2 LEU A 13 -0.629 6.642 -5.676 1.00 0.00 C ATOM 0 H LEU A 13 -2.787 9.733 -3.219 1.00 0.00 H new ATOM 0 HA LEU A 13 -0.540 8.106 -2.952 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -1.805 9.762 -5.122 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -0.197 9.130 -5.413 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.262 7.212 -4.428 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.112 6.854 -6.718 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.500 8.482 -6.113 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -2.173 8.258 -7.278 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.082 5.698 -5.978 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -0.056 7.052 -6.508 1.00 0.00 H new ATOM 0 HD23 LEU A 13 0.034 6.471 -4.828 1.00 0.00 H new ATOM 223 N ALA A 14 0.187 11.313 -3.189 1.00 0.00 N ATOM 224 CA ALA A 14 1.262 12.289 -3.021 1.00 0.00 C ATOM 225 C ALA A 14 1.843 12.256 -1.609 1.00 0.00 C ATOM 226 O ALA A 14 3.061 12.302 -1.428 1.00 0.00 O ATOM 227 CB ALA A 14 0.752 13.685 -3.349 1.00 0.00 C ATOM 0 H ALA A 14 -0.735 11.725 -3.333 1.00 0.00 H new ATOM 0 HA ALA A 14 2.063 12.024 -3.711 1.00 0.00 H new ATOM 0 HB1 ALA A 14 1.559 14.406 -3.221 1.00 0.00 H new ATOM 0 HB2 ALA A 14 0.402 13.711 -4.381 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -0.070 13.938 -2.680 1.00 0.00 H new ATOM 233 N GLU A 15 0.962 12.171 -0.613 1.00 0.00 N ATOM 234 CA GLU A 15 1.375 12.142 0.789 1.00 0.00 C ATOM 235 C GLU A 15 1.968 10.792 1.212 1.00 0.00 C ATOM 236 O GLU A 15 2.544 10.687 2.292 1.00 0.00 O ATOM 237 CB GLU A 15 0.190 12.475 1.695 1.00 0.00 C ATOM 238 CG GLU A 15 -0.203 13.943 1.685 1.00 0.00 C ATOM 239 CD GLU A 15 -1.381 14.231 2.594 1.00 0.00 C ATOM 240 OE1 GLU A 15 -2.533 14.119 2.125 1.00 0.00 O ATOM 241 OE2 GLU A 15 -1.152 14.563 3.776 1.00 0.00 O ATOM 0 H GLU A 15 -0.047 12.121 -0.753 1.00 0.00 H new ATOM 0 HA GLU A 15 2.159 12.892 0.895 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -0.668 11.878 1.387 1.00 0.00 H new ATOM 0 HB3 GLU A 15 0.433 12.182 2.716 1.00 0.00 H new ATOM 0 HG2 GLU A 15 0.649 14.547 1.997 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -0.451 14.243 0.667 1.00 0.00 H new ATOM 248 N ILE A 16 1.835 9.760 0.380 1.00 0.00 N ATOM 249 CA ILE A 16 2.364 8.442 0.737 1.00 0.00 C ATOM 250 C ILE A 16 3.766 8.196 0.172 1.00 0.00 C ATOM 251 O ILE A 16 4.560 7.497 0.790 1.00 0.00 O ATOM 252 CB ILE A 16 1.419 7.286 0.308 1.00 0.00 C ATOM 253 CG1 ILE A 16 1.812 5.990 1.022 1.00 0.00 C ATOM 254 CG2 ILE A 16 1.446 7.084 -1.198 1.00 0.00 C ATOM 255 CD1 ILE A 16 0.648 5.060 1.283 1.00 0.00 C ATOM 0 H ILE A 16 1.375 9.807 -0.529 1.00 0.00 H new ATOM 0 HA ILE A 16 2.430 8.448 1.825 1.00 0.00 H new ATOM 0 HB ILE A 16 0.403 7.557 0.594 1.00 0.00 H new ATOM 0 HG12 ILE A 16 2.556 5.466 0.421 1.00 0.00 H new ATOM 0 HG13 ILE A 16 2.286 6.239 1.971 1.00 0.00 H new ATOM 0 HG21 ILE A 16 0.775 6.269 -1.468 1.00 0.00 H new ATOM 0 HG22 ILE A 16 1.122 7.999 -1.694 1.00 0.00 H new ATOM 0 HG23 ILE A 16 2.460 6.839 -1.514 1.00 0.00 H new ATOM 0 HD11 ILE A 16 1.005 4.164 1.791 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -0.087 5.564 1.910 1.00 0.00 H new ATOM 0 HD13 ILE A 16 0.186 4.780 0.336 1.00 0.00 H new ATOM 267 N ILE A 17 4.083 8.778 -0.987 1.00 0.00 N ATOM 268 CA ILE A 17 5.402 8.579 -1.595 1.00 0.00 C ATOM 269 C ILE A 17 6.527 9.139 -0.719 1.00 0.00 C ATOM 270 O ILE A 17 7.598 8.542 -0.612 1.00 0.00 O ATOM 271 CB ILE A 17 5.497 9.218 -3.001 1.00 0.00 C ATOM 272 CG1 ILE A 17 4.366 8.718 -3.898 1.00 0.00 C ATOM 273 CG2 ILE A 17 6.845 8.910 -3.640 1.00 0.00 C ATOM 274 CD1 ILE A 17 4.018 9.667 -5.028 1.00 0.00 C ATOM 0 H ILE A 17 3.455 9.382 -1.517 1.00 0.00 H new ATOM 0 HA ILE A 17 5.525 7.500 -1.687 1.00 0.00 H new ATOM 0 HB ILE A 17 5.402 10.298 -2.889 1.00 0.00 H new ATOM 0 HG12 ILE A 17 4.648 7.753 -4.320 1.00 0.00 H new ATOM 0 HG13 ILE A 17 3.478 8.552 -3.289 1.00 0.00 H new ATOM 0 HG21 ILE A 17 6.892 9.368 -4.628 1.00 0.00 H new ATOM 0 HG22 ILE A 17 7.644 9.311 -3.016 1.00 0.00 H new ATOM 0 HG23 ILE A 17 6.965 7.831 -3.734 1.00 0.00 H new ATOM 0 HD11 ILE A 17 3.207 9.244 -5.621 1.00 0.00 H new ATOM 0 HD12 ILE A 17 3.704 10.625 -4.615 1.00 0.00 H new ATOM 0 HD13 ILE A 17 4.893 9.815 -5.662 1.00 0.00 H new ATOM 286 N ALA A 18 6.266 10.272 -0.072 1.00 0.00 N ATOM 287 CA ALA A 18 7.265 10.920 0.775 1.00 0.00 C ATOM 288 C ALA A 18 7.206 10.444 2.229 1.00 0.00 C ATOM 289 O ALA A 18 8.081 10.780 3.026 1.00 0.00 O ATOM 290 CB ALA A 18 7.092 12.431 0.710 1.00 0.00 C ATOM 0 H ALA A 18 5.372 10.761 -0.118 1.00 0.00 H new ATOM 0 HA ALA A 18 8.246 10.640 0.391 1.00 0.00 H new ATOM 0 HB1 ALA A 18 7.839 12.910 1.343 1.00 0.00 H new ATOM 0 HB2 ALA A 18 7.218 12.768 -0.319 1.00 0.00 H new ATOM 0 HB3 ALA A 18 6.095 12.698 1.059 1.00 0.00 H new ATOM 296 N ASN A 19 6.176 9.676 2.579 1.00 0.00 N ATOM 297 CA ASN A 19 6.020 9.192 3.954 1.00 0.00 C ATOM 298 C ASN A 19 6.023 7.665 4.037 1.00 0.00 C ATOM 299 O ASN A 19 5.494 7.089 4.989 1.00 0.00 O ATOM 300 CB ASN A 19 4.727 9.742 4.558 1.00 0.00 C ATOM 301 CG ASN A 19 4.839 11.208 4.934 1.00 0.00 C ATOM 302 OD1 ASN A 19 5.244 11.546 6.045 1.00 0.00 O ATOM 303 ND2 ASN A 19 4.483 12.087 4.004 1.00 0.00 N ATOM 0 H ASN A 19 5.442 9.376 1.938 1.00 0.00 H new ATOM 0 HA ASN A 19 6.878 9.551 4.523 1.00 0.00 H new ATOM 0 HB2 ASN A 19 3.913 9.614 3.844 1.00 0.00 H new ATOM 0 HB3 ASN A 19 4.468 9.162 5.444 1.00 0.00 H new ATOM 0 HD21 ASN A 19 4.540 13.087 4.199 1.00 0.00 H new ATOM 0 HD22 ASN A 19 4.152 11.762 3.095 1.00 0.00 H new ATOM 310 N LEU A 20 6.614 7.010 3.045 1.00 0.00 N ATOM 311 CA LEU A 20 6.665 5.549 3.028 1.00 0.00 C ATOM 312 C LEU A 20 8.096 5.038 2.920 1.00 0.00 C ATOM 313 O LEU A 20 8.955 5.678 2.317 1.00 0.00 O ATOM 314 CB LEU A 20 5.846 4.991 1.864 1.00 0.00 C ATOM 315 CG LEU A 20 5.452 3.517 1.989 1.00 0.00 C ATOM 316 CD1 LEU A 20 4.064 3.388 2.592 1.00 0.00 C ATOM 317 CD2 LEU A 20 5.508 2.835 0.630 1.00 0.00 C ATOM 0 H LEU A 20 7.062 7.461 2.247 1.00 0.00 H new ATOM 0 HA LEU A 20 6.241 5.205 3.972 1.00 0.00 H new ATOM 0 HB2 LEU A 20 4.938 5.585 1.762 1.00 0.00 H new ATOM 0 HB3 LEU A 20 6.417 5.121 0.944 1.00 0.00 H new ATOM 0 HG LEU A 20 6.163 3.024 2.652 1.00 0.00 H new ATOM 0 HD11 LEU A 20 3.799 2.334 2.674 1.00 0.00 H new ATOM 0 HD12 LEU A 20 4.054 3.843 3.583 1.00 0.00 H new ATOM 0 HD13 LEU A 20 3.341 3.895 1.953 1.00 0.00 H new ATOM 0 HD21 LEU A 20 5.225 1.788 0.737 1.00 0.00 H new ATOM 0 HD22 LEU A 20 4.818 3.329 -0.054 1.00 0.00 H new ATOM 0 HD23 LEU A 20 6.521 2.899 0.232 1.00 0.00 H new ATOM 329 N ASP A 21 8.334 3.871 3.510 1.00 0.00 N ATOM 330 CA ASP A 21 9.648 3.241 3.475 1.00 0.00 C ATOM 331 C ASP A 21 9.520 1.807 2.966 1.00 0.00 C ATOM 332 O ASP A 21 9.182 0.903 3.727 1.00 0.00 O ATOM 333 CB ASP A 21 10.291 3.255 4.866 1.00 0.00 C ATOM 334 CG ASP A 21 10.790 4.633 5.256 1.00 0.00 C ATOM 335 OD1 ASP A 21 9.993 5.424 5.803 1.00 0.00 O ATOM 336 OD2 ASP A 21 11.981 4.921 5.011 1.00 0.00 O ATOM 0 H ASP A 21 7.629 3.340 4.021 1.00 0.00 H new ATOM 0 HA ASP A 21 10.289 3.805 2.797 1.00 0.00 H new ATOM 0 HB2 ASP A 21 9.565 2.912 5.603 1.00 0.00 H new ATOM 0 HB3 ASP A 21 11.123 2.551 4.886 1.00 0.00 H new ATOM 341 N PRO A 22 9.795 1.589 1.663 1.00 0.00 N ATOM 342 CA PRO A 22 9.695 0.265 1.020 1.00 0.00 C ATOM 343 C PRO A 22 10.606 -0.796 1.639 1.00 0.00 C ATOM 344 O PRO A 22 10.329 -1.988 1.538 1.00 0.00 O ATOM 345 CB PRO A 22 10.125 0.534 -0.428 1.00 0.00 C ATOM 346 CG PRO A 22 9.951 1.998 -0.624 1.00 0.00 C ATOM 347 CD PRO A 22 10.224 2.627 0.709 1.00 0.00 C ATOM 0 HA PRO A 22 8.689 -0.139 1.130 1.00 0.00 H new ATOM 0 HB2 PRO A 22 11.160 0.236 -0.593 1.00 0.00 H new ATOM 0 HB3 PRO A 22 9.514 -0.032 -1.131 1.00 0.00 H new ATOM 0 HG2 PRO A 22 10.638 2.375 -1.382 1.00 0.00 H new ATOM 0 HG3 PRO A 22 8.942 2.229 -0.965 1.00 0.00 H new ATOM 0 HD2 PRO A 22 11.279 2.874 0.830 1.00 0.00 H new ATOM 0 HD3 PRO A 22 9.663 3.552 0.841 1.00 0.00 H new ATOM 355 N THR A 23 11.686 -0.359 2.274 1.00 0.00 N ATOM 356 CA THR A 23 12.644 -1.273 2.892 1.00 0.00 C ATOM 357 C THR A 23 12.131 -1.857 4.208 1.00 0.00 C ATOM 358 O THR A 23 12.242 -3.060 4.449 1.00 0.00 O ATOM 359 CB THR A 23 13.978 -0.555 3.163 1.00 0.00 C ATOM 360 OG1 THR A 23 13.726 0.784 3.615 1.00 0.00 O ATOM 361 CG2 THR A 23 14.839 -0.518 1.909 1.00 0.00 C ATOM 0 H THR A 23 11.923 0.628 2.376 1.00 0.00 H new ATOM 0 HA THR A 23 12.787 -2.090 2.185 1.00 0.00 H new ATOM 0 HB THR A 23 14.514 -1.107 3.935 1.00 0.00 H new ATOM 0 HG1 THR A 23 14.578 1.237 3.788 1.00 0.00 H new ATOM 0 HG21 THR A 23 15.776 -0.006 2.126 1.00 0.00 H new ATOM 0 HG22 THR A 23 15.049 -1.536 1.582 1.00 0.00 H new ATOM 0 HG23 THR A 23 14.309 0.014 1.119 1.00 0.00 H new ATOM 369 N LYS A 24 11.557 -0.999 5.048 1.00 0.00 N ATOM 370 CA LYS A 24 11.060 -1.412 6.360 1.00 0.00 C ATOM 371 C LYS A 24 9.797 -2.270 6.282 1.00 0.00 C ATOM 372 O LYS A 24 9.566 -3.113 7.148 1.00 0.00 O ATOM 373 CB LYS A 24 10.790 -0.179 7.225 1.00 0.00 C ATOM 374 CG LYS A 24 11.106 -0.394 8.696 1.00 0.00 C ATOM 375 CD LYS A 24 10.976 0.893 9.493 1.00 0.00 C ATOM 376 CE LYS A 24 11.189 0.642 10.977 1.00 0.00 C ATOM 377 NZ LYS A 24 11.035 1.884 11.784 1.00 0.00 N ATOM 0 H LYS A 24 11.424 -0.009 4.843 1.00 0.00 H new ATOM 0 HA LYS A 24 11.837 -2.030 6.809 1.00 0.00 H new ATOM 0 HB2 LYS A 24 11.384 0.655 6.851 1.00 0.00 H new ATOM 0 HB3 LYS A 24 9.743 0.105 7.124 1.00 0.00 H new ATOM 0 HG2 LYS A 24 10.432 -1.146 9.107 1.00 0.00 H new ATOM 0 HG3 LYS A 24 12.119 -0.784 8.797 1.00 0.00 H new ATOM 0 HD2 LYS A 24 11.705 1.621 9.136 1.00 0.00 H new ATOM 0 HD3 LYS A 24 9.989 1.326 9.332 1.00 0.00 H new ATOM 0 HE2 LYS A 24 10.476 -0.106 11.324 1.00 0.00 H new ATOM 0 HE3 LYS A 24 12.185 0.229 11.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 11.189 1.666 12.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 11.733 2.589 11.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 10.076 2.265 11.655 1.00 0.00 H new ATOM 391 N ILE A 25 8.980 -2.065 5.254 1.00 0.00 N ATOM 392 CA ILE A 25 7.740 -2.830 5.120 1.00 0.00 C ATOM 393 C ILE A 25 7.944 -4.146 4.370 1.00 0.00 C ATOM 394 O ILE A 25 7.274 -5.134 4.663 1.00 0.00 O ATOM 395 CB ILE A 25 6.631 -2.018 4.416 1.00 0.00 C ATOM 396 CG1 ILE A 25 7.141 -1.437 3.097 1.00 0.00 C ATOM 397 CG2 ILE A 25 6.119 -0.909 5.323 1.00 0.00 C ATOM 398 CD1 ILE A 25 6.106 -1.449 1.998 1.00 0.00 C ATOM 0 H ILE A 25 9.148 -1.387 4.511 1.00 0.00 H new ATOM 0 HA ILE A 25 7.427 -3.054 6.140 1.00 0.00 H new ATOM 0 HB ILE A 25 5.803 -2.693 4.197 1.00 0.00 H new ATOM 0 HG12 ILE A 25 7.472 -0.412 3.264 1.00 0.00 H new ATOM 0 HG13 ILE A 25 8.013 -2.004 2.771 1.00 0.00 H new ATOM 0 HG21 ILE A 25 5.338 -0.349 4.808 1.00 0.00 H new ATOM 0 HG22 ILE A 25 5.711 -1.344 6.235 1.00 0.00 H new ATOM 0 HG23 ILE A 25 6.940 -0.238 5.576 1.00 0.00 H new ATOM 0 HD11 ILE A 25 6.534 -1.023 1.091 1.00 0.00 H new ATOM 0 HD12 ILE A 25 5.793 -2.475 1.805 1.00 0.00 H new ATOM 0 HD13 ILE A 25 5.243 -0.858 2.304 1.00 0.00 H new ATOM 410 N LEU A 26 8.874 -4.159 3.414 1.00 0.00 N ATOM 411 CA LEU A 26 9.140 -5.355 2.613 1.00 0.00 C ATOM 412 C LEU A 26 9.604 -6.526 3.473 1.00 0.00 C ATOM 413 O LEU A 26 9.266 -7.679 3.201 1.00 0.00 O ATOM 414 CB LEU A 26 10.194 -5.058 1.545 1.00 0.00 C ATOM 415 CG LEU A 26 10.133 -5.953 0.307 1.00 0.00 C ATOM 416 CD1 LEU A 26 9.121 -5.410 -0.687 1.00 0.00 C ATOM 417 CD2 LEU A 26 11.506 -6.069 -0.337 1.00 0.00 C ATOM 0 H LEU A 26 9.455 -3.356 3.176 1.00 0.00 H new ATOM 0 HA LEU A 26 8.201 -5.637 2.136 1.00 0.00 H new ATOM 0 HB2 LEU A 26 10.087 -4.020 1.230 1.00 0.00 H new ATOM 0 HB3 LEU A 26 11.182 -5.154 1.995 1.00 0.00 H new ATOM 0 HG LEU A 26 9.815 -6.949 0.615 1.00 0.00 H new ATOM 0 HD11 LEU A 26 9.088 -6.057 -1.563 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.136 -5.378 -0.222 1.00 0.00 H new ATOM 0 HD13 LEU A 26 9.412 -4.404 -0.990 1.00 0.00 H new ATOM 0 HD21 LEU A 26 11.442 -6.710 -1.216 1.00 0.00 H new ATOM 0 HD22 LEU A 26 11.854 -5.079 -0.634 1.00 0.00 H new ATOM 0 HD23 LEU A 26 12.207 -6.501 0.377 1.00 0.00 H new ATOM 429 N GLU A 27 10.366 -6.220 4.518 1.00 0.00 N ATOM 430 CA GLU A 27 10.900 -7.239 5.415 1.00 0.00 C ATOM 431 C GLU A 27 9.803 -7.952 6.211 1.00 0.00 C ATOM 432 O GLU A 27 9.848 -9.171 6.381 1.00 0.00 O ATOM 433 CB GLU A 27 11.904 -6.603 6.375 1.00 0.00 C ATOM 434 CG GLU A 27 13.230 -6.242 5.724 1.00 0.00 C ATOM 435 CD GLU A 27 14.203 -5.621 6.705 1.00 0.00 C ATOM 436 OE1 GLU A 27 14.179 -4.383 6.860 1.00 0.00 O ATOM 437 OE2 GLU A 27 14.987 -6.375 7.319 1.00 0.00 O ATOM 0 H GLU A 27 10.629 -5.266 4.766 1.00 0.00 H new ATOM 0 HA GLU A 27 11.392 -7.991 4.798 1.00 0.00 H new ATOM 0 HB2 GLU A 27 11.463 -5.703 6.804 1.00 0.00 H new ATOM 0 HB3 GLU A 27 12.090 -7.291 7.200 1.00 0.00 H new ATOM 0 HG2 GLU A 27 13.676 -7.138 5.292 1.00 0.00 H new ATOM 0 HG3 GLU A 27 13.052 -5.547 4.903 1.00 0.00 H new ATOM 444 N GLU A 28 8.817 -7.193 6.686 1.00 0.00 N ATOM 445 CA GLU A 28 7.723 -7.752 7.484 1.00 0.00 C ATOM 446 C GLU A 28 6.713 -8.518 6.628 1.00 0.00 C ATOM 447 O GLU A 28 6.015 -9.404 7.125 1.00 0.00 O ATOM 448 CB GLU A 28 7.008 -6.637 8.250 1.00 0.00 C ATOM 449 CG GLU A 28 7.823 -6.071 9.404 1.00 0.00 C ATOM 450 CD GLU A 28 7.770 -6.941 10.645 1.00 0.00 C ATOM 451 OE1 GLU A 28 8.573 -7.894 10.739 1.00 0.00 O ATOM 452 OE2 GLU A 28 6.925 -6.668 11.523 1.00 0.00 O ATOM 0 H GLU A 28 8.752 -6.187 6.533 1.00 0.00 H new ATOM 0 HA GLU A 28 8.165 -8.460 8.185 1.00 0.00 H new ATOM 0 HB2 GLU A 28 6.765 -5.831 7.558 1.00 0.00 H new ATOM 0 HB3 GLU A 28 6.064 -7.021 8.637 1.00 0.00 H new ATOM 0 HG2 GLU A 28 8.860 -5.959 9.089 1.00 0.00 H new ATOM 0 HG3 GLU A 28 7.454 -5.075 9.649 1.00 0.00 H new ATOM 459 N LEU A 29 6.641 -8.176 5.345 1.00 0.00 N ATOM 460 CA LEU A 29 5.705 -8.822 4.429 1.00 0.00 C ATOM 461 C LEU A 29 6.220 -10.179 3.956 1.00 0.00 C ATOM 462 O LEU A 29 5.445 -11.125 3.796 1.00 0.00 O ATOM 463 CB LEU A 29 5.451 -7.915 3.224 1.00 0.00 C ATOM 464 CG LEU A 29 4.689 -6.626 3.539 1.00 0.00 C ATOM 465 CD1 LEU A 29 4.891 -5.598 2.437 1.00 0.00 C ATOM 466 CD2 LEU A 29 3.213 -6.920 3.735 1.00 0.00 C ATOM 0 H LEU A 29 7.220 -7.455 4.915 1.00 0.00 H new ATOM 0 HA LEU A 29 4.773 -8.990 4.969 1.00 0.00 H new ATOM 0 HB2 LEU A 29 6.410 -7.653 2.776 1.00 0.00 H new ATOM 0 HB3 LEU A 29 4.892 -8.477 2.476 1.00 0.00 H new ATOM 0 HG LEU A 29 5.084 -6.210 4.466 1.00 0.00 H new ATOM 0 HD11 LEU A 29 4.340 -4.690 2.681 1.00 0.00 H new ATOM 0 HD12 LEU A 29 5.952 -5.366 2.346 1.00 0.00 H new ATOM 0 HD13 LEU A 29 4.525 -6.001 1.492 1.00 0.00 H new ATOM 0 HD21 LEU A 29 2.684 -5.994 3.958 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.806 -7.360 2.825 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.088 -7.618 4.563 1.00 0.00 H new ATOM 478 N LEU A 30 7.529 -10.269 3.741 1.00 0.00 N ATOM 479 CA LEU A 30 8.152 -11.502 3.270 1.00 0.00 C ATOM 480 C LEU A 30 8.226 -12.560 4.371 1.00 0.00 C ATOM 481 O LEU A 30 8.177 -13.759 4.090 1.00 0.00 O ATOM 482 CB LEU A 30 9.556 -11.211 2.741 1.00 0.00 C ATOM 483 CG LEU A 30 9.604 -10.511 1.385 1.00 0.00 C ATOM 484 CD1 LEU A 30 10.929 -9.785 1.205 1.00 0.00 C ATOM 485 CD2 LEU A 30 9.392 -11.520 0.268 1.00 0.00 C ATOM 0 H LEU A 30 8.182 -9.499 3.886 1.00 0.00 H new ATOM 0 HA LEU A 30 7.530 -11.897 2.467 1.00 0.00 H new ATOM 0 HB2 LEU A 30 10.082 -10.594 3.470 1.00 0.00 H new ATOM 0 HB3 LEU A 30 10.102 -12.152 2.667 1.00 0.00 H new ATOM 0 HG LEU A 30 8.803 -9.773 1.345 1.00 0.00 H new ATOM 0 HD11 LEU A 30 10.945 -9.292 0.233 1.00 0.00 H new ATOM 0 HD12 LEU A 30 11.045 -9.040 1.992 1.00 0.00 H new ATOM 0 HD13 LEU A 30 11.748 -10.503 1.261 1.00 0.00 H new ATOM 0 HD21 LEU A 30 9.428 -11.010 -0.695 1.00 0.00 H new ATOM 0 HD22 LEU A 30 10.176 -12.277 0.308 1.00 0.00 H new ATOM 0 HD23 LEU A 30 8.420 -11.998 0.389 1.00 0.00 H new ATOM 497 N ARG A 31 8.350 -12.112 5.617 1.00 0.00 N ATOM 498 CA ARG A 31 8.448 -13.020 6.760 1.00 0.00 C ATOM 499 C ARG A 31 7.121 -13.718 7.048 1.00 0.00 C ATOM 500 O ARG A 31 7.098 -14.827 7.583 1.00 0.00 O ATOM 501 CB ARG A 31 8.907 -12.255 7.998 1.00 0.00 C ATOM 502 CG ARG A 31 10.394 -11.949 7.998 1.00 0.00 C ATOM 503 CD ARG A 31 10.824 -11.266 9.283 1.00 0.00 C ATOM 504 NE ARG A 31 12.246 -10.940 9.275 1.00 0.00 N ATOM 505 CZ ARG A 31 12.940 -10.630 10.364 1.00 0.00 C ATOM 506 NH1 ARG A 31 12.347 -10.603 11.551 1.00 0.00 N ATOM 507 NH2 ARG A 31 14.231 -10.344 10.268 1.00 0.00 N ATOM 0 H ARG A 31 8.385 -11.123 5.863 1.00 0.00 H new ATOM 0 HA ARG A 31 9.181 -13.787 6.508 1.00 0.00 H new ATOM 0 HB2 ARG A 31 8.351 -11.320 8.066 1.00 0.00 H new ATOM 0 HB3 ARG A 31 8.663 -12.836 8.887 1.00 0.00 H new ATOM 0 HG2 ARG A 31 10.956 -12.874 7.871 1.00 0.00 H new ATOM 0 HG3 ARG A 31 10.635 -11.311 7.148 1.00 0.00 H new ATOM 0 HD2 ARG A 31 10.243 -10.354 9.422 1.00 0.00 H new ATOM 0 HD3 ARG A 31 10.605 -11.916 10.130 1.00 0.00 H new ATOM 0 HE ARG A 31 12.736 -10.951 8.380 1.00 0.00 H new ATOM 0 HH11 ARG A 31 11.354 -10.821 11.630 1.00 0.00 H new ATOM 0 HH12 ARG A 31 12.885 -10.364 12.384 1.00 0.00 H new ATOM 0 HH21 ARG A 31 14.691 -10.362 9.358 1.00 0.00 H new ATOM 0 HH22 ARG A 31 14.764 -10.106 11.104 1.00 0.00 H new ATOM 521 N ARG A 32 6.017 -13.065 6.694 1.00 0.00 N ATOM 522 CA ARG A 32 4.692 -13.632 6.920 1.00 0.00 C ATOM 523 C ARG A 32 4.230 -14.452 5.719 1.00 0.00 C ATOM 524 O ARG A 32 3.250 -15.192 5.802 1.00 0.00 O ATOM 525 CB ARG A 32 3.685 -12.521 7.221 1.00 0.00 C ATOM 526 CG ARG A 32 3.985 -11.768 8.509 1.00 0.00 C ATOM 527 CD ARG A 32 2.771 -11.000 9.007 1.00 0.00 C ATOM 528 NE ARG A 32 3.049 -10.282 10.250 1.00 0.00 N ATOM 529 CZ ARG A 32 2.113 -9.686 10.987 1.00 0.00 C ATOM 530 NH1 ARG A 32 0.841 -9.721 10.608 1.00 0.00 N ATOM 531 NH2 ARG A 32 2.447 -9.056 12.104 1.00 0.00 N ATOM 0 H ARG A 32 6.014 -12.146 6.251 1.00 0.00 H new ATOM 0 HA ARG A 32 4.753 -14.299 7.780 1.00 0.00 H new ATOM 0 HB2 ARG A 32 3.674 -11.815 6.390 1.00 0.00 H new ATOM 0 HB3 ARG A 32 2.686 -12.953 7.285 1.00 0.00 H new ATOM 0 HG2 ARG A 32 4.310 -12.472 9.275 1.00 0.00 H new ATOM 0 HG3 ARG A 32 4.810 -11.076 8.342 1.00 0.00 H new ATOM 0 HD2 ARG A 32 2.452 -10.291 8.243 1.00 0.00 H new ATOM 0 HD3 ARG A 32 1.944 -11.692 9.165 1.00 0.00 H new ATOM 0 HE ARG A 32 4.016 -10.235 10.571 1.00 0.00 H new ATOM 0 HH11 ARG A 32 0.578 -10.205 9.750 1.00 0.00 H new ATOM 0 HH12 ARG A 32 0.127 -9.263 11.175 1.00 0.00 H new ATOM 0 HH21 ARG A 32 3.422 -9.027 12.401 1.00 0.00 H new ATOM 0 HH22 ARG A 32 1.729 -8.600 12.667 1.00 0.00 H new ATOM 545 N GLY A 33 4.948 -14.318 4.606 1.00 0.00 N ATOM 546 CA GLY A 33 4.607 -15.055 3.401 1.00 0.00 C ATOM 547 C GLY A 33 3.459 -14.430 2.631 1.00 0.00 C ATOM 548 O GLY A 33 2.672 -15.134 2.001 1.00 0.00 O ATOM 0 H GLY A 33 5.762 -13.710 4.518 1.00 0.00 H new ATOM 0 HA2 GLY A 33 5.483 -15.111 2.755 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.343 -16.078 3.669 1.00 0.00 H new ATOM 552 N LEU A 34 3.364 -13.104 2.681 1.00 0.00 N ATOM 553 CA LEU A 34 2.301 -12.384 1.983 1.00 0.00 C ATOM 554 C LEU A 34 2.781 -11.837 0.638 1.00 0.00 C ATOM 555 O LEU A 34 1.977 -11.411 -0.189 1.00 0.00 O ATOM 556 CB LEU A 34 1.790 -11.229 2.852 1.00 0.00 C ATOM 557 CG LEU A 34 0.387 -10.716 2.511 1.00 0.00 C ATOM 558 CD1 LEU A 34 -0.357 -10.322 3.776 1.00 0.00 C ATOM 559 CD2 LEU A 34 0.471 -9.537 1.552 1.00 0.00 C ATOM 0 H LEU A 34 4.009 -12.506 3.197 1.00 0.00 H new ATOM 0 HA LEU A 34 1.492 -13.090 1.795 1.00 0.00 H new ATOM 0 HB2 LEU A 34 1.797 -11.551 3.893 1.00 0.00 H new ATOM 0 HB3 LEU A 34 2.491 -10.398 2.770 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.166 -11.519 2.023 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -1.352 -9.960 3.515 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.446 -11.189 4.430 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.193 -9.534 4.291 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -0.534 -9.185 1.320 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.040 -8.731 2.015 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.967 -9.850 0.633 1.00 0.00 H new ATOM 571 N LEU A 35 4.083 -11.888 0.395 1.00 0.00 N ATOM 572 CA LEU A 35 4.630 -11.351 -0.841 1.00 0.00 C ATOM 573 C LEU A 35 5.135 -12.461 -1.760 1.00 0.00 C ATOM 574 O LEU A 35 5.810 -13.389 -1.315 1.00 0.00 O ATOM 575 CB LEU A 35 5.770 -10.382 -0.525 1.00 0.00 C ATOM 576 CG LEU A 35 5.733 -9.063 -1.303 1.00 0.00 C ATOM 577 CD1 LEU A 35 6.591 -8.013 -0.619 1.00 0.00 C ATOM 578 CD2 LEU A 35 6.191 -9.270 -2.739 1.00 0.00 C ATOM 0 H LEU A 35 4.773 -12.291 1.029 1.00 0.00 H new ATOM 0 HA LEU A 35 3.830 -10.823 -1.360 1.00 0.00 H new ATOM 0 HB2 LEU A 35 5.751 -10.158 0.542 1.00 0.00 H new ATOM 0 HB3 LEU A 35 6.718 -10.880 -0.729 1.00 0.00 H new ATOM 0 HG LEU A 35 4.702 -8.709 -1.320 1.00 0.00 H new ATOM 0 HD11 LEU A 35 6.551 -7.084 -1.187 1.00 0.00 H new ATOM 0 HD12 LEU A 35 6.217 -7.838 0.390 1.00 0.00 H new ATOM 0 HD13 LEU A 35 7.622 -8.363 -0.568 1.00 0.00 H new ATOM 0 HD21 LEU A 35 6.157 -8.320 -3.272 1.00 0.00 H new ATOM 0 HD22 LEU A 35 7.212 -9.652 -2.744 1.00 0.00 H new ATOM 0 HD23 LEU A 35 5.533 -9.986 -3.231 1.00 0.00 H new ATOM 590 N THR A 36 4.792 -12.361 -3.048 1.00 0.00 N ATOM 591 CA THR A 36 5.224 -13.352 -4.028 1.00 0.00 C ATOM 592 C THR A 36 6.422 -12.847 -4.828 1.00 0.00 C ATOM 593 O THR A 36 6.590 -11.643 -5.015 1.00 0.00 O ATOM 594 CB THR A 36 4.090 -13.728 -5.005 1.00 0.00 C ATOM 595 OG1 THR A 36 3.540 -12.550 -5.608 1.00 0.00 O ATOM 596 CG2 THR A 36 2.995 -14.505 -4.287 1.00 0.00 C ATOM 0 H THR A 36 4.220 -11.608 -3.431 1.00 0.00 H new ATOM 0 HA THR A 36 5.509 -14.241 -3.465 1.00 0.00 H new ATOM 0 HB THR A 36 4.510 -14.362 -5.786 1.00 0.00 H new ATOM 0 HG1 THR A 36 2.823 -12.803 -6.226 1.00 0.00 H new ATOM 0 HG21 THR A 36 2.206 -14.760 -4.994 1.00 0.00 H new ATOM 0 HG22 THR A 36 3.414 -15.419 -3.866 1.00 0.00 H new ATOM 0 HG23 THR A 36 2.580 -13.893 -3.486 1.00 0.00 H new ATOM 604 N PRO A 37 7.269 -13.770 -5.310 1.00 0.00 N ATOM 605 CA PRO A 37 8.462 -13.426 -6.096 1.00 0.00 C ATOM 606 C PRO A 37 8.129 -12.786 -7.445 1.00 0.00 C ATOM 607 O PRO A 37 8.934 -12.040 -7.995 1.00 0.00 O ATOM 608 CB PRO A 37 9.163 -14.776 -6.295 1.00 0.00 C ATOM 609 CG PRO A 37 8.094 -15.796 -6.119 1.00 0.00 C ATOM 610 CD PRO A 37 7.138 -15.225 -5.114 1.00 0.00 C ATOM 0 HA PRO A 37 9.074 -12.682 -5.586 1.00 0.00 H new ATOM 0 HB2 PRO A 37 9.614 -14.844 -7.285 1.00 0.00 H new ATOM 0 HB3 PRO A 37 9.964 -14.915 -5.569 1.00 0.00 H new ATOM 0 HG2 PRO A 37 7.591 -16.000 -7.064 1.00 0.00 H new ATOM 0 HG3 PRO A 37 8.510 -16.741 -5.769 1.00 0.00 H new ATOM 0 HD2 PRO A 37 6.118 -15.565 -5.291 1.00 0.00 H new ATOM 0 HD3 PRO A 37 7.400 -15.519 -4.098 1.00 0.00 H new ATOM 618 N ALA A 38 6.937 -13.080 -7.967 1.00 0.00 N ATOM 619 CA ALA A 38 6.495 -12.527 -9.245 1.00 0.00 C ATOM 620 C ALA A 38 6.169 -11.043 -9.111 1.00 0.00 C ATOM 621 O ALA A 38 6.557 -10.233 -9.954 1.00 0.00 O ATOM 622 CB ALA A 38 5.281 -13.292 -9.751 1.00 0.00 C ATOM 0 H ALA A 38 6.260 -13.700 -7.522 1.00 0.00 H new ATOM 0 HA ALA A 38 7.306 -12.632 -9.966 1.00 0.00 H new ATOM 0 HB1 ALA A 38 4.958 -12.873 -10.704 1.00 0.00 H new ATOM 0 HB2 ALA A 38 5.543 -14.342 -9.886 1.00 0.00 H new ATOM 0 HB3 ALA A 38 4.471 -13.210 -9.026 1.00 0.00 H new ATOM 628 N GLU A 39 5.461 -10.698 -8.037 1.00 0.00 N ATOM 629 CA GLU A 39 5.082 -9.314 -7.771 1.00 0.00 C ATOM 630 C GLU A 39 6.298 -8.499 -7.343 1.00 0.00 C ATOM 631 O GLU A 39 6.432 -7.321 -7.692 1.00 0.00 O ATOM 632 CB GLU A 39 4.013 -9.270 -6.675 1.00 0.00 C ATOM 633 CG GLU A 39 2.622 -9.645 -7.161 1.00 0.00 C ATOM 634 CD GLU A 39 1.639 -9.830 -6.022 1.00 0.00 C ATOM 635 OE1 GLU A 39 1.612 -8.973 -5.114 1.00 0.00 O ATOM 636 OE2 GLU A 39 0.897 -10.836 -6.037 1.00 0.00 O ATOM 0 H GLU A 39 5.137 -11.363 -7.334 1.00 0.00 H new ATOM 0 HA GLU A 39 4.678 -8.881 -8.686 1.00 0.00 H new ATOM 0 HB2 GLU A 39 4.302 -9.947 -5.871 1.00 0.00 H new ATOM 0 HB3 GLU A 39 3.982 -8.266 -6.251 1.00 0.00 H new ATOM 0 HG2 GLU A 39 2.254 -8.869 -7.832 1.00 0.00 H new ATOM 0 HG3 GLU A 39 2.679 -10.566 -7.740 1.00 0.00 H new ATOM 643 N LEU A 40 7.188 -9.145 -6.592 1.00 0.00 N ATOM 644 CA LEU A 40 8.399 -8.504 -6.094 1.00 0.00 C ATOM 645 C LEU A 40 9.365 -8.172 -7.223 1.00 0.00 C ATOM 646 O LEU A 40 9.804 -7.035 -7.344 1.00 0.00 O ATOM 647 CB LEU A 40 9.092 -9.405 -5.072 1.00 0.00 C ATOM 648 CG LEU A 40 9.983 -8.671 -4.059 1.00 0.00 C ATOM 649 CD1 LEU A 40 9.913 -9.332 -2.693 1.00 0.00 C ATOM 650 CD2 LEU A 40 11.424 -8.625 -4.547 1.00 0.00 C ATOM 0 H LEU A 40 7.089 -10.121 -6.314 1.00 0.00 H new ATOM 0 HA LEU A 40 8.103 -7.570 -5.617 1.00 0.00 H new ATOM 0 HB2 LEU A 40 8.331 -9.963 -4.527 1.00 0.00 H new ATOM 0 HB3 LEU A 40 9.700 -10.135 -5.607 1.00 0.00 H new ATOM 0 HG LEU A 40 9.612 -7.650 -3.965 1.00 0.00 H new ATOM 0 HD11 LEU A 40 10.553 -8.793 -1.995 1.00 0.00 H new ATOM 0 HD12 LEU A 40 8.885 -9.313 -2.332 1.00 0.00 H new ATOM 0 HD13 LEU A 40 10.251 -10.365 -2.771 1.00 0.00 H new ATOM 0 HD21 LEU A 40 12.039 -8.101 -3.816 1.00 0.00 H new ATOM 0 HD22 LEU A 40 11.798 -9.641 -4.674 1.00 0.00 H new ATOM 0 HD23 LEU A 40 11.468 -8.100 -5.501 1.00 0.00 H new ATOM 662 N GLN A 41 9.690 -9.173 -8.042 1.00 0.00 N ATOM 663 CA GLN A 41 10.614 -9.007 -9.156 1.00 0.00 C ATOM 664 C GLN A 41 10.203 -7.877 -10.096 1.00 0.00 C ATOM 665 O GLN A 41 11.052 -7.274 -10.746 1.00 0.00 O ATOM 666 CB GLN A 41 10.697 -10.313 -9.937 1.00 0.00 C ATOM 667 CG GLN A 41 12.083 -10.623 -10.457 1.00 0.00 C ATOM 668 CD GLN A 41 13.045 -11.042 -9.358 1.00 0.00 C ATOM 669 OE1 GLN A 41 13.066 -12.202 -8.952 1.00 0.00 O ATOM 670 NE2 GLN A 41 13.848 -10.100 -8.865 1.00 0.00 N ATOM 0 H GLN A 41 9.319 -10.119 -7.949 1.00 0.00 H new ATOM 0 HA GLN A 41 11.586 -8.743 -8.740 1.00 0.00 H new ATOM 0 HB2 GLN A 41 10.368 -11.131 -9.296 1.00 0.00 H new ATOM 0 HB3 GLN A 41 10.005 -10.268 -10.778 1.00 0.00 H new ATOM 0 HG2 GLN A 41 12.018 -11.419 -11.199 1.00 0.00 H new ATOM 0 HG3 GLN A 41 12.480 -9.744 -10.965 1.00 0.00 H new ATOM 0 HE21 GLN A 41 13.801 -9.148 -9.228 1.00 0.00 H new ATOM 0 HE22 GLN A 41 14.510 -10.331 -8.124 1.00 0.00 H new ATOM 679 N GLU A 42 8.909 -7.595 -10.163 1.00 0.00 N ATOM 680 CA GLU A 42 8.404 -6.550 -11.043 1.00 0.00 C ATOM 681 C GLU A 42 8.689 -5.146 -10.495 1.00 0.00 C ATOM 682 O GLU A 42 9.342 -4.321 -11.155 1.00 0.00 O ATOM 683 CB GLU A 42 6.903 -6.736 -11.232 1.00 0.00 C ATOM 684 CG GLU A 42 6.535 -7.699 -12.349 1.00 0.00 C ATOM 685 CD GLU A 42 5.034 -7.837 -12.519 1.00 0.00 C ATOM 686 OE1 GLU A 42 4.438 -8.708 -11.852 1.00 0.00 O ATOM 687 OE2 GLU A 42 4.454 -7.069 -13.315 1.00 0.00 O ATOM 0 H GLU A 42 8.191 -8.074 -9.620 1.00 0.00 H new ATOM 0 HA GLU A 42 8.920 -6.637 -11.999 1.00 0.00 H new ATOM 0 HB2 GLU A 42 6.472 -7.097 -10.298 1.00 0.00 H new ATOM 0 HB3 GLU A 42 6.450 -5.766 -11.438 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.974 -7.352 -13.284 1.00 0.00 H new ATOM 0 HG3 GLU A 42 6.966 -8.678 -12.139 1.00 0.00 H new ATOM 694 N VAL A 43 8.224 -4.883 -9.273 1.00 0.00 N ATOM 695 CA VAL A 43 8.417 -3.575 -8.655 1.00 0.00 C ATOM 696 C VAL A 43 9.876 -3.364 -8.238 1.00 0.00 C ATOM 697 O VAL A 43 10.352 -2.233 -8.180 1.00 0.00 O ATOM 698 CB VAL A 43 7.459 -3.354 -7.454 1.00 0.00 C ATOM 699 CG1 VAL A 43 7.666 -4.400 -6.374 1.00 0.00 C ATOM 700 CG2 VAL A 43 7.616 -1.951 -6.879 1.00 0.00 C ATOM 0 H VAL A 43 7.715 -5.554 -8.697 1.00 0.00 H new ATOM 0 HA VAL A 43 8.171 -2.828 -9.410 1.00 0.00 H new ATOM 0 HB VAL A 43 6.441 -3.460 -7.828 1.00 0.00 H new ATOM 0 HG11 VAL A 43 6.978 -4.213 -5.550 1.00 0.00 H new ATOM 0 HG12 VAL A 43 7.477 -5.391 -6.786 1.00 0.00 H new ATOM 0 HG13 VAL A 43 8.692 -4.348 -6.009 1.00 0.00 H new ATOM 0 HG21 VAL A 43 6.933 -1.824 -6.039 1.00 0.00 H new ATOM 0 HG22 VAL A 43 8.642 -1.810 -6.537 1.00 0.00 H new ATOM 0 HG23 VAL A 43 7.386 -1.214 -7.649 1.00 0.00 H new ATOM 710 N LEU A 44 10.594 -4.450 -7.973 1.00 0.00 N ATOM 711 CA LEU A 44 11.998 -4.352 -7.588 1.00 0.00 C ATOM 712 C LEU A 44 12.872 -4.124 -8.817 1.00 0.00 C ATOM 713 O LEU A 44 14.027 -3.712 -8.704 1.00 0.00 O ATOM 714 CB LEU A 44 12.448 -5.610 -6.850 1.00 0.00 C ATOM 715 CG LEU A 44 13.760 -5.470 -6.079 1.00 0.00 C ATOM 716 CD1 LEU A 44 13.500 -4.950 -4.675 1.00 0.00 C ATOM 717 CD2 LEU A 44 14.495 -6.800 -6.032 1.00 0.00 C ATOM 0 H LEU A 44 10.231 -5.402 -8.017 1.00 0.00 H new ATOM 0 HA LEU A 44 12.106 -3.501 -6.916 1.00 0.00 H new ATOM 0 HB2 LEU A 44 11.664 -5.905 -6.153 1.00 0.00 H new ATOM 0 HB3 LEU A 44 12.553 -6.419 -7.572 1.00 0.00 H new ATOM 0 HG LEU A 44 14.391 -4.749 -6.599 1.00 0.00 H new ATOM 0 HD11 LEU A 44 14.445 -4.857 -4.141 1.00 0.00 H new ATOM 0 HD12 LEU A 44 13.017 -3.974 -4.732 1.00 0.00 H new ATOM 0 HD13 LEU A 44 12.850 -5.646 -4.144 1.00 0.00 H new ATOM 0 HD21 LEU A 44 15.427 -6.681 -5.479 1.00 0.00 H new ATOM 0 HD22 LEU A 44 13.871 -7.543 -5.536 1.00 0.00 H new ATOM 0 HD23 LEU A 44 14.715 -7.130 -7.047 1.00 0.00 H new ATOM 729 N ASP A 45 12.306 -4.397 -9.991 1.00 0.00 N ATOM 730 CA ASP A 45 13.018 -4.220 -11.247 1.00 0.00 C ATOM 731 C ASP A 45 13.054 -2.750 -11.638 1.00 0.00 C ATOM 732 O ASP A 45 14.095 -2.238 -12.051 1.00 0.00 O ATOM 733 CB ASP A 45 12.356 -5.034 -12.360 1.00 0.00 C ATOM 734 CG ASP A 45 13.338 -5.462 -13.431 1.00 0.00 C ATOM 735 OD1 ASP A 45 13.994 -6.510 -13.249 1.00 0.00 O ATOM 736 OD2 ASP A 45 13.451 -4.753 -14.453 1.00 0.00 O ATOM 0 H ASP A 45 11.352 -4.743 -10.095 1.00 0.00 H new ATOM 0 HA ASP A 45 14.039 -4.575 -11.109 1.00 0.00 H new ATOM 0 HB2 ASP A 45 11.886 -5.918 -11.929 1.00 0.00 H new ATOM 0 HB3 ASP A 45 11.562 -4.442 -12.816 1.00 0.00 H new ATOM 741 N LEU A 46 11.915 -2.064 -11.498 1.00 0.00 N ATOM 742 CA LEU A 46 11.850 -0.645 -11.857 1.00 0.00 C ATOM 743 C LEU A 46 12.650 0.213 -10.885 1.00 0.00 C ATOM 744 O LEU A 46 12.803 -0.125 -9.710 1.00 0.00 O ATOM 745 CB LEU A 46 10.407 -0.130 -11.913 1.00 0.00 C ATOM 746 CG LEU A 46 9.474 -0.637 -10.815 1.00 0.00 C ATOM 747 CD1 LEU A 46 9.391 0.371 -9.681 1.00 0.00 C ATOM 748 CD2 LEU A 46 8.092 -0.906 -11.381 1.00 0.00 C ATOM 0 H LEU A 46 11.043 -2.459 -11.146 1.00 0.00 H new ATOM 0 HA LEU A 46 12.287 -0.563 -12.852 1.00 0.00 H new ATOM 0 HB2 LEU A 46 10.429 0.959 -11.870 1.00 0.00 H new ATOM 0 HB3 LEU A 46 9.982 -0.403 -12.879 1.00 0.00 H new ATOM 0 HG LEU A 46 9.878 -1.570 -10.421 1.00 0.00 H new ATOM 0 HD11 LEU A 46 8.722 -0.006 -8.907 1.00 0.00 H new ATOM 0 HD12 LEU A 46 10.384 0.526 -9.259 1.00 0.00 H new ATOM 0 HD13 LEU A 46 9.007 1.317 -10.063 1.00 0.00 H new ATOM 0 HD21 LEU A 46 7.438 -1.267 -10.587 1.00 0.00 H new ATOM 0 HD22 LEU A 46 7.684 0.015 -11.797 1.00 0.00 H new ATOM 0 HD23 LEU A 46 8.160 -1.660 -12.165 1.00 0.00 H new ATOM 760 N LYS A 47 13.153 1.328 -11.394 1.00 0.00 N ATOM 761 CA LYS A 47 13.926 2.260 -10.589 1.00 0.00 C ATOM 762 C LYS A 47 13.147 3.556 -10.393 1.00 0.00 C ATOM 763 O LYS A 47 13.667 4.529 -9.849 1.00 0.00 O ATOM 764 CB LYS A 47 15.264 2.556 -11.266 1.00 0.00 C ATOM 765 CG LYS A 47 16.396 2.832 -10.290 1.00 0.00 C ATOM 766 CD LYS A 47 17.712 3.057 -11.014 1.00 0.00 C ATOM 767 CE LYS A 47 18.835 3.383 -10.041 1.00 0.00 C ATOM 768 NZ LYS A 47 20.133 3.594 -10.739 1.00 0.00 N ATOM 0 H LYS A 47 13.038 1.610 -12.368 1.00 0.00 H new ATOM 0 HA LYS A 47 14.114 1.808 -9.615 1.00 0.00 H new ATOM 0 HB2 LYS A 47 15.538 1.709 -11.896 1.00 0.00 H new ATOM 0 HB3 LYS A 47 15.145 3.417 -11.924 1.00 0.00 H new ATOM 0 HG2 LYS A 47 16.155 3.709 -9.690 1.00 0.00 H new ATOM 0 HG3 LYS A 47 16.497 1.993 -9.601 1.00 0.00 H new ATOM 0 HD2 LYS A 47 17.971 2.166 -11.585 1.00 0.00 H new ATOM 0 HD3 LYS A 47 17.600 3.872 -11.729 1.00 0.00 H new ATOM 0 HE2 LYS A 47 18.577 4.279 -9.476 1.00 0.00 H new ATOM 0 HE3 LYS A 47 18.938 2.571 -9.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 20.871 3.814 -10.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 20.393 2.731 -11.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 20.043 4.385 -11.408 1.00 0.00 H new ATOM 782 N THR A 48 11.895 3.560 -10.838 1.00 0.00 N ATOM 783 CA THR A 48 11.049 4.739 -10.723 1.00 0.00 C ATOM 784 C THR A 48 10.334 4.780 -9.372 1.00 0.00 C ATOM 785 O THR A 48 9.612 3.853 -9.018 1.00 0.00 O ATOM 786 CB THR A 48 10.019 4.792 -11.866 1.00 0.00 C ATOM 787 OG1 THR A 48 9.488 3.484 -12.110 1.00 0.00 O ATOM 788 CG2 THR A 48 10.663 5.319 -13.140 1.00 0.00 C ATOM 0 H THR A 48 11.445 2.759 -11.281 1.00 0.00 H new ATOM 0 HA THR A 48 11.697 5.612 -10.795 1.00 0.00 H new ATOM 0 HB THR A 48 9.213 5.463 -11.570 1.00 0.00 H new ATOM 0 HG1 THR A 48 8.833 3.527 -12.837 1.00 0.00 H new ATOM 0 HG21 THR A 48 9.920 5.350 -13.937 1.00 0.00 H new ATOM 0 HG22 THR A 48 11.048 6.323 -12.964 1.00 0.00 H new ATOM 0 HG23 THR A 48 11.482 4.662 -13.432 1.00 0.00 H new ATOM 796 N PRO A 49 10.525 5.873 -8.609 1.00 0.00 N ATOM 797 CA PRO A 49 9.918 6.044 -7.275 1.00 0.00 C ATOM 798 C PRO A 49 8.395 6.151 -7.318 1.00 0.00 C ATOM 799 O PRO A 49 7.707 5.664 -6.417 1.00 0.00 O ATOM 800 CB PRO A 49 10.532 7.355 -6.771 1.00 0.00 C ATOM 801 CG PRO A 49 10.948 8.084 -8.000 1.00 0.00 C ATOM 802 CD PRO A 49 11.346 7.033 -8.994 1.00 0.00 C ATOM 0 HA PRO A 49 10.115 5.184 -6.634 1.00 0.00 H new ATOM 0 HB2 PRO A 49 9.810 7.933 -6.195 1.00 0.00 H new ATOM 0 HB3 PRO A 49 11.383 7.166 -6.117 1.00 0.00 H new ATOM 0 HG2 PRO A 49 10.132 8.695 -8.385 1.00 0.00 H new ATOM 0 HG3 PRO A 49 11.779 8.757 -7.791 1.00 0.00 H new ATOM 0 HD2 PRO A 49 11.141 7.349 -10.017 1.00 0.00 H new ATOM 0 HD3 PRO A 49 12.411 6.808 -8.937 1.00 0.00 H new ATOM 810 N GLU A 50 7.875 6.792 -8.363 1.00 0.00 N ATOM 811 CA GLU A 50 6.435 6.959 -8.527 1.00 0.00 C ATOM 812 C GLU A 50 5.750 5.611 -8.722 1.00 0.00 C ATOM 813 O GLU A 50 4.676 5.365 -8.174 1.00 0.00 O ATOM 814 CB GLU A 50 6.141 7.863 -9.724 1.00 0.00 C ATOM 815 CG GLU A 50 6.408 9.336 -9.460 1.00 0.00 C ATOM 816 CD GLU A 50 6.099 10.201 -10.665 1.00 0.00 C ATOM 817 OE1 GLU A 50 4.939 10.645 -10.795 1.00 0.00 O ATOM 818 OE2 GLU A 50 7.017 10.432 -11.479 1.00 0.00 O ATOM 0 H GLU A 50 8.433 7.205 -9.110 1.00 0.00 H new ATOM 0 HA GLU A 50 6.043 7.421 -7.621 1.00 0.00 H new ATOM 0 HB2 GLU A 50 6.748 7.539 -10.570 1.00 0.00 H new ATOM 0 HB3 GLU A 50 5.098 7.739 -10.014 1.00 0.00 H new ATOM 0 HG2 GLU A 50 5.805 9.666 -8.614 1.00 0.00 H new ATOM 0 HG3 GLU A 50 7.453 9.469 -9.178 1.00 0.00 H new ATOM 825 N GLU A 51 6.393 4.735 -9.494 1.00 0.00 N ATOM 826 CA GLU A 51 5.853 3.409 -9.770 1.00 0.00 C ATOM 827 C GLU A 51 5.967 2.499 -8.551 1.00 0.00 C ATOM 828 O GLU A 51 5.129 1.626 -8.356 1.00 0.00 O ATOM 829 CB GLU A 51 6.570 2.774 -10.962 1.00 0.00 C ATOM 830 CG GLU A 51 5.660 1.930 -11.836 1.00 0.00 C ATOM 831 CD GLU A 51 4.726 2.771 -12.685 1.00 0.00 C ATOM 832 OE1 GLU A 51 5.121 3.140 -13.811 1.00 0.00 O ATOM 833 OE2 GLU A 51 3.604 3.068 -12.221 1.00 0.00 O ATOM 0 H GLU A 51 7.291 4.923 -9.939 1.00 0.00 H new ATOM 0 HA GLU A 51 4.797 3.527 -10.011 1.00 0.00 H new ATOM 0 HB2 GLU A 51 7.016 3.562 -11.569 1.00 0.00 H new ATOM 0 HB3 GLU A 51 7.387 2.153 -10.596 1.00 0.00 H new ATOM 0 HG2 GLU A 51 6.268 1.300 -12.485 1.00 0.00 H new ATOM 0 HG3 GLU A 51 5.071 1.264 -11.205 1.00 0.00 H new ATOM 840 N GLN A 52 7.013 2.701 -7.746 1.00 0.00 N ATOM 841 CA GLN A 52 7.233 1.899 -6.539 1.00 0.00 C ATOM 842 C GLN A 52 6.033 1.986 -5.601 1.00 0.00 C ATOM 843 O GLN A 52 5.459 0.966 -5.214 1.00 0.00 O ATOM 844 CB GLN A 52 8.495 2.366 -5.806 1.00 0.00 C ATOM 845 CG GLN A 52 9.783 2.050 -6.547 1.00 0.00 C ATOM 846 CD GLN A 52 10.668 1.067 -5.812 1.00 0.00 C ATOM 847 OE1 GLN A 52 11.271 1.397 -4.793 1.00 0.00 O ATOM 848 NE2 GLN A 52 10.746 -0.151 -6.329 1.00 0.00 N ATOM 0 H GLN A 52 7.723 3.415 -7.909 1.00 0.00 H new ATOM 0 HA GLN A 52 7.362 0.861 -6.847 1.00 0.00 H new ATOM 0 HB2 GLN A 52 8.434 3.442 -5.645 1.00 0.00 H new ATOM 0 HB3 GLN A 52 8.528 1.898 -4.822 1.00 0.00 H new ATOM 0 HG2 GLN A 52 9.539 1.645 -7.529 1.00 0.00 H new ATOM 0 HG3 GLN A 52 10.336 2.975 -6.711 1.00 0.00 H new ATOM 0 HE21 GLN A 52 10.227 -0.379 -7.177 1.00 0.00 H new ATOM 0 HE22 GLN A 52 11.325 -0.860 -5.879 1.00 0.00 H new ATOM 857 N ALA A 53 5.656 3.215 -5.254 1.00 0.00 N ATOM 858 CA ALA A 53 4.528 3.454 -4.361 1.00 0.00 C ATOM 859 C ALA A 53 3.212 3.018 -4.997 1.00 0.00 C ATOM 860 O ALA A 53 2.386 2.382 -4.346 1.00 0.00 O ATOM 861 CB ALA A 53 4.466 4.924 -3.975 1.00 0.00 C ATOM 0 H ALA A 53 6.119 4.063 -5.580 1.00 0.00 H new ATOM 0 HA ALA A 53 4.679 2.855 -3.463 1.00 0.00 H new ATOM 0 HB1 ALA A 53 3.620 5.090 -3.308 1.00 0.00 H new ATOM 0 HB2 ALA A 53 5.388 5.206 -3.468 1.00 0.00 H new ATOM 0 HB3 ALA A 53 4.345 5.531 -4.872 1.00 0.00 H new ATOM 867 N LYS A 54 3.035 3.353 -6.278 1.00 0.00 N ATOM 868 CA LYS A 54 1.817 3.008 -7.013 1.00 0.00 C ATOM 869 C LYS A 54 1.633 1.495 -7.127 1.00 0.00 C ATOM 870 O LYS A 54 0.506 1.009 -7.183 1.00 0.00 O ATOM 871 CB LYS A 54 1.845 3.636 -8.408 1.00 0.00 C ATOM 872 CG LYS A 54 1.489 5.116 -8.412 1.00 0.00 C ATOM 873 CD LYS A 54 1.601 5.720 -9.803 1.00 0.00 C ATOM 874 CE LYS A 54 1.346 7.219 -9.781 1.00 0.00 C ATOM 875 NZ LYS A 54 1.458 7.827 -11.138 1.00 0.00 N ATOM 0 H LYS A 54 3.724 3.865 -6.829 1.00 0.00 H new ATOM 0 HA LYS A 54 0.971 3.406 -6.452 1.00 0.00 H new ATOM 0 HB2 LYS A 54 2.839 3.508 -8.836 1.00 0.00 H new ATOM 0 HB3 LYS A 54 1.149 3.101 -9.053 1.00 0.00 H new ATOM 0 HG2 LYS A 54 0.473 5.246 -8.040 1.00 0.00 H new ATOM 0 HG3 LYS A 54 2.150 5.651 -7.729 1.00 0.00 H new ATOM 0 HD2 LYS A 54 2.594 5.525 -10.207 1.00 0.00 H new ATOM 0 HD3 LYS A 54 0.886 5.238 -10.469 1.00 0.00 H new ATOM 0 HE2 LYS A 54 0.351 7.411 -9.379 1.00 0.00 H new ATOM 0 HE3 LYS A 54 2.059 7.698 -9.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 1.277 8.849 -11.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 2.415 7.667 -11.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 0.760 7.389 -11.773 1.00 0.00 H new ATOM 889 N LYS A 55 2.745 0.760 -7.157 1.00 0.00 N ATOM 890 CA LYS A 55 2.708 -0.697 -7.263 1.00 0.00 C ATOM 891 C LYS A 55 2.157 -1.323 -5.993 1.00 0.00 C ATOM 892 O LYS A 55 1.292 -2.190 -6.054 1.00 0.00 O ATOM 893 CB LYS A 55 4.104 -1.253 -7.550 1.00 0.00 C ATOM 894 CG LYS A 55 4.426 -1.351 -9.033 1.00 0.00 C ATOM 895 CD LYS A 55 3.894 -2.640 -9.639 1.00 0.00 C ATOM 896 CE LYS A 55 4.122 -2.683 -11.141 1.00 0.00 C ATOM 897 NZ LYS A 55 5.529 -3.033 -11.476 1.00 0.00 N ATOM 0 H LYS A 55 3.685 1.152 -7.109 1.00 0.00 H new ATOM 0 HA LYS A 55 2.047 -0.952 -8.091 1.00 0.00 H new ATOM 0 HB2 LYS A 55 4.846 -0.617 -7.067 1.00 0.00 H new ATOM 0 HB3 LYS A 55 4.191 -2.243 -7.101 1.00 0.00 H new ATOM 0 HG2 LYS A 55 3.995 -0.498 -9.556 1.00 0.00 H new ATOM 0 HG3 LYS A 55 5.505 -1.300 -9.175 1.00 0.00 H new ATOM 0 HD2 LYS A 55 4.384 -3.493 -9.171 1.00 0.00 H new ATOM 0 HD3 LYS A 55 2.828 -2.730 -9.429 1.00 0.00 H new ATOM 0 HE2 LYS A 55 3.449 -3.413 -11.590 1.00 0.00 H new ATOM 0 HE3 LYS A 55 3.875 -1.714 -11.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 5.942 -2.283 -12.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 6.081 -3.127 -10.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 5.548 -3.934 -11.996 1.00 0.00 H new ATOM 911 N LEU A 56 2.651 -0.872 -4.846 1.00 0.00 N ATOM 912 CA LEU A 56 2.207 -1.403 -3.560 1.00 0.00 C ATOM 913 C LEU A 56 0.734 -1.124 -3.315 1.00 0.00 C ATOM 914 O LEU A 56 -0.006 -2.015 -2.906 1.00 0.00 O ATOM 915 CB LEU A 56 3.024 -0.806 -2.429 1.00 0.00 C ATOM 916 CG LEU A 56 3.073 -1.650 -1.155 1.00 0.00 C ATOM 917 CD1 LEU A 56 4.276 -2.579 -1.180 1.00 0.00 C ATOM 918 CD2 LEU A 56 3.108 -0.755 0.076 1.00 0.00 C ATOM 0 H LEU A 56 3.359 -0.140 -4.779 1.00 0.00 H new ATOM 0 HA LEU A 56 2.353 -2.483 -3.590 1.00 0.00 H new ATOM 0 HB2 LEU A 56 4.043 -0.647 -2.781 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.615 0.174 -2.183 1.00 0.00 H new ATOM 0 HG LEU A 56 2.171 -2.260 -1.108 1.00 0.00 H new ATOM 0 HD11 LEU A 56 4.296 -3.173 -0.266 1.00 0.00 H new ATOM 0 HD12 LEU A 56 4.206 -3.242 -2.042 1.00 0.00 H new ATOM 0 HD13 LEU A 56 5.190 -1.989 -1.250 1.00 0.00 H new ATOM 0 HD21 LEU A 56 3.143 -1.372 0.974 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.992 -0.119 0.038 1.00 0.00 H new ATOM 0 HD23 LEU A 56 2.214 -0.132 0.098 1.00 0.00 H new ATOM 930 N ILE A 57 0.315 0.117 -3.558 1.00 0.00 N ATOM 931 CA ILE A 57 -1.080 0.500 -3.368 1.00 0.00 C ATOM 932 C ILE A 57 -1.975 -0.262 -4.345 1.00 0.00 C ATOM 933 O ILE A 57 -3.149 -0.513 -4.071 1.00 0.00 O ATOM 934 CB ILE A 57 -1.280 2.023 -3.540 1.00 0.00 C ATOM 935 CG1 ILE A 57 -0.318 2.789 -2.632 1.00 0.00 C ATOM 936 CG2 ILE A 57 -2.716 2.414 -3.225 1.00 0.00 C ATOM 937 CD1 ILE A 57 -0.034 4.196 -3.107 1.00 0.00 C ATOM 0 H ILE A 57 0.920 0.870 -3.885 1.00 0.00 H new ATOM 0 HA ILE A 57 -1.360 0.240 -2.347 1.00 0.00 H new ATOM 0 HB ILE A 57 -1.069 2.281 -4.578 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -0.736 2.831 -1.626 1.00 0.00 H new ATOM 0 HG13 ILE A 57 0.621 2.240 -2.565 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -2.836 3.490 -3.352 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -3.392 1.891 -3.901 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -2.950 2.142 -2.196 1.00 0.00 H new ATOM 0 HD11 ILE A 57 0.655 4.681 -2.416 1.00 0.00 H new ATOM 0 HD12 ILE A 57 0.413 4.161 -4.101 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -0.965 4.761 -3.147 1.00 0.00 H new ATOM 949 N ASP A 58 -1.396 -0.649 -5.477 1.00 0.00 N ATOM 950 CA ASP A 58 -2.116 -1.400 -6.497 1.00 0.00 C ATOM 951 C ASP A 58 -2.223 -2.867 -6.104 1.00 0.00 C ATOM 952 O ASP A 58 -3.165 -3.554 -6.490 1.00 0.00 O ATOM 953 CB ASP A 58 -1.400 -1.281 -7.843 1.00 0.00 C ATOM 954 CG ASP A 58 -2.355 -1.284 -9.020 1.00 0.00 C ATOM 955 OD1 ASP A 58 -3.164 -0.339 -9.130 1.00 0.00 O ATOM 956 OD2 ASP A 58 -2.292 -2.230 -9.835 1.00 0.00 O ATOM 0 H ASP A 58 -0.423 -0.453 -5.711 1.00 0.00 H new ATOM 0 HA ASP A 58 -3.119 -0.983 -6.585 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -0.815 -0.361 -7.858 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -0.697 -2.107 -7.949 1.00 0.00 H new ATOM 961 N PHE A 59 -1.258 -3.341 -5.318 1.00 0.00 N ATOM 962 CA PHE A 59 -1.246 -4.736 -4.893 1.00 0.00 C ATOM 963 C PHE A 59 -2.151 -4.981 -3.687 1.00 0.00 C ATOM 964 O PHE A 59 -2.574 -6.109 -3.449 1.00 0.00 O ATOM 965 CB PHE A 59 0.186 -5.184 -4.584 1.00 0.00 C ATOM 966 CG PHE A 59 1.002 -5.456 -5.816 1.00 0.00 C ATOM 967 CD1 PHE A 59 0.460 -6.159 -6.880 1.00 0.00 C ATOM 968 CD2 PHE A 59 2.306 -4.995 -5.916 1.00 0.00 C ATOM 969 CE1 PHE A 59 1.202 -6.400 -8.019 1.00 0.00 C ATOM 970 CE2 PHE A 59 3.052 -5.232 -7.055 1.00 0.00 C ATOM 971 CZ PHE A 59 2.498 -5.934 -8.108 1.00 0.00 C ATOM 0 H PHE A 59 -0.480 -2.783 -4.966 1.00 0.00 H new ATOM 0 HA PHE A 59 -1.640 -5.330 -5.718 1.00 0.00 H new ATOM 0 HB2 PHE A 59 0.680 -4.414 -3.992 1.00 0.00 H new ATOM 0 HB3 PHE A 59 0.153 -6.085 -3.972 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -0.555 -6.523 -6.818 1.00 0.00 H new ATOM 0 HD2 PHE A 59 2.743 -4.445 -5.096 1.00 0.00 H new ATOM 0 HE1 PHE A 59 0.769 -6.953 -8.840 1.00 0.00 H new ATOM 0 HE2 PHE A 59 4.067 -4.869 -7.122 1.00 0.00 H new ATOM 0 HZ PHE A 59 3.079 -6.118 -9.000 1.00 0.00 H new ATOM 981 N ILE A 60 -2.463 -3.930 -2.934 1.00 0.00 N ATOM 982 CA ILE A 60 -3.319 -4.073 -1.755 1.00 0.00 C ATOM 983 C ILE A 60 -4.780 -3.741 -2.056 1.00 0.00 C ATOM 984 O ILE A 60 -5.687 -4.293 -1.432 1.00 0.00 O ATOM 985 CB ILE A 60 -2.833 -3.191 -0.581 1.00 0.00 C ATOM 986 CG1 ILE A 60 -2.571 -1.755 -1.040 1.00 0.00 C ATOM 987 CG2 ILE A 60 -1.574 -3.779 0.032 1.00 0.00 C ATOM 988 CD1 ILE A 60 -3.647 -0.777 -0.626 1.00 0.00 C ATOM 0 H ILE A 60 -2.141 -2.979 -3.114 1.00 0.00 H new ATOM 0 HA ILE A 60 -3.251 -5.122 -1.467 1.00 0.00 H new ATOM 0 HB ILE A 60 -3.621 -3.169 0.172 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -1.615 -1.422 -0.635 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -2.479 -1.742 -2.126 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -1.242 -3.149 0.857 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -1.784 -4.782 0.403 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -0.790 -3.829 -0.724 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -3.392 0.219 -0.987 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -4.602 -1.084 -1.053 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -3.725 -0.760 0.461 1.00 0.00 H new ATOM 1000 N LEU A 61 -5.007 -2.851 -3.018 1.00 0.00 N ATOM 1001 CA LEU A 61 -6.362 -2.445 -3.381 1.00 0.00 C ATOM 1002 C LEU A 61 -7.033 -3.473 -4.290 1.00 0.00 C ATOM 1003 O LEU A 61 -8.232 -3.387 -4.555 1.00 0.00 O ATOM 1004 CB LEU A 61 -6.350 -1.079 -4.065 1.00 0.00 C ATOM 1005 CG LEU A 61 -7.598 -0.230 -3.821 1.00 0.00 C ATOM 1006 CD1 LEU A 61 -7.541 0.417 -2.447 1.00 0.00 C ATOM 1007 CD2 LEU A 61 -7.744 0.826 -4.905 1.00 0.00 C ATOM 0 H LEU A 61 -4.271 -2.397 -3.560 1.00 0.00 H new ATOM 0 HA LEU A 61 -6.939 -2.379 -2.458 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -5.477 -0.524 -3.722 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -6.232 -1.227 -5.138 1.00 0.00 H new ATOM 0 HG LEU A 61 -8.471 -0.881 -3.857 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -8.437 1.018 -2.290 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -7.485 -0.358 -1.682 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -6.660 1.056 -2.382 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -8.637 1.421 -4.715 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -6.868 1.475 -4.901 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -7.831 0.340 -5.877 1.00 0.00 H new ATOM 1019 N LYS A 62 -6.258 -4.444 -4.762 1.00 0.00 N ATOM 1020 CA LYS A 62 -6.787 -5.471 -5.653 1.00 0.00 C ATOM 1021 C LYS A 62 -7.082 -6.773 -4.917 1.00 0.00 C ATOM 1022 O LYS A 62 -7.738 -7.660 -5.460 1.00 0.00 O ATOM 1023 CB LYS A 62 -5.803 -5.736 -6.784 1.00 0.00 C ATOM 1024 CG LYS A 62 -5.862 -4.695 -7.884 1.00 0.00 C ATOM 1025 CD LYS A 62 -4.929 -5.049 -9.026 1.00 0.00 C ATOM 1026 CE LYS A 62 -5.028 -4.039 -10.154 1.00 0.00 C ATOM 1027 NZ LYS A 62 -4.050 -4.323 -11.239 1.00 0.00 N ATOM 0 H LYS A 62 -5.266 -4.542 -4.544 1.00 0.00 H new ATOM 0 HA LYS A 62 -7.728 -5.097 -6.057 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -4.792 -5.768 -6.377 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -6.006 -6.718 -7.211 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -6.883 -4.614 -8.257 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -5.592 -3.719 -7.480 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -3.903 -5.089 -8.661 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -5.173 -6.042 -9.402 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -6.038 -4.050 -10.564 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -4.854 -3.037 -9.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -4.476 -4.093 -12.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -3.197 -3.745 -11.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -3.792 -5.330 -11.219 1.00 0.00 H new ATOM 1041 N LEU A 63 -6.599 -6.891 -3.685 1.00 0.00 N ATOM 1042 CA LEU A 63 -6.818 -8.099 -2.906 1.00 0.00 C ATOM 1043 C LEU A 63 -8.081 -7.989 -2.060 1.00 0.00 C ATOM 1044 O LEU A 63 -8.723 -6.940 -2.009 1.00 0.00 O ATOM 1045 CB LEU A 63 -5.610 -8.388 -2.017 1.00 0.00 C ATOM 1046 CG LEU A 63 -4.397 -8.966 -2.749 1.00 0.00 C ATOM 1047 CD1 LEU A 63 -3.136 -8.769 -1.927 1.00 0.00 C ATOM 1048 CD2 LEU A 63 -4.608 -10.443 -3.057 1.00 0.00 C ATOM 0 H LEU A 63 -6.057 -6.169 -3.209 1.00 0.00 H new ATOM 0 HA LEU A 63 -6.949 -8.927 -3.603 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -5.311 -7.464 -1.522 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -5.911 -9.085 -1.235 1.00 0.00 H new ATOM 0 HG LEU A 63 -4.281 -8.433 -3.693 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -2.283 -9.186 -2.463 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -2.974 -7.704 -1.759 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -3.244 -9.275 -0.968 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -3.734 -10.835 -3.578 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -4.752 -10.992 -2.126 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -5.489 -10.561 -3.688 1.00 0.00 H new ATOM 1060 N SER A 64 -8.427 -9.086 -1.400 1.00 0.00 N ATOM 1061 CA SER A 64 -9.613 -9.142 -0.558 1.00 0.00 C ATOM 1062 C SER A 64 -9.384 -8.437 0.781 1.00 0.00 C ATOM 1063 O SER A 64 -8.244 -8.233 1.197 1.00 0.00 O ATOM 1064 CB SER A 64 -10.003 -10.606 -0.329 1.00 0.00 C ATOM 1065 OG SER A 64 -8.881 -11.378 0.058 1.00 0.00 O ATOM 0 H SER A 64 -7.897 -9.957 -1.433 1.00 0.00 H new ATOM 0 HA SER A 64 -10.424 -8.621 -1.067 1.00 0.00 H new ATOM 0 HB2 SER A 64 -10.772 -10.664 0.442 1.00 0.00 H new ATOM 0 HB3 SER A 64 -10.434 -11.018 -1.241 1.00 0.00 H new ATOM 0 HG SER A 64 -9.157 -12.308 0.200 1.00 0.00 H new ATOM 1071 N PRO A 65 -10.478 -8.038 1.463 1.00 0.00 N ATOM 1072 CA PRO A 65 -10.415 -7.361 2.769 1.00 0.00 C ATOM 1073 C PRO A 65 -9.657 -8.164 3.835 1.00 0.00 C ATOM 1074 O PRO A 65 -9.101 -7.590 4.770 1.00 0.00 O ATOM 1075 CB PRO A 65 -11.888 -7.190 3.168 1.00 0.00 C ATOM 1076 CG PRO A 65 -12.657 -8.097 2.267 1.00 0.00 C ATOM 1077 CD PRO A 65 -11.867 -8.189 0.998 1.00 0.00 C ATOM 0 HA PRO A 65 -9.867 -6.421 2.696 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -12.044 -7.453 4.214 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -12.209 -6.155 3.049 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -12.783 -9.081 2.720 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -13.655 -7.703 2.077 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -12.023 -9.143 0.494 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -12.144 -7.406 0.292 1.00 0.00 H new ATOM 1085 N ALA A 66 -9.648 -9.490 3.696 1.00 0.00 N ATOM 1086 CA ALA A 66 -8.956 -10.359 4.646 1.00 0.00 C ATOM 1087 C ALA A 66 -7.436 -10.305 4.464 1.00 0.00 C ATOM 1088 O ALA A 66 -6.683 -10.548 5.408 1.00 0.00 O ATOM 1089 CB ALA A 66 -9.461 -11.788 4.505 1.00 0.00 C ATOM 0 H ALA A 66 -10.112 -9.985 2.935 1.00 0.00 H new ATOM 0 HA ALA A 66 -9.174 -9.998 5.651 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -8.941 -12.430 5.216 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -10.532 -11.817 4.706 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -9.273 -12.142 3.492 1.00 0.00 H new ATOM 1095 N ASP A 67 -6.993 -9.980 3.248 1.00 0.00 N ATOM 1096 CA ASP A 67 -5.564 -9.897 2.942 1.00 0.00 C ATOM 1097 C ASP A 67 -4.939 -8.623 3.517 1.00 0.00 C ATOM 1098 O ASP A 67 -3.843 -8.660 4.079 1.00 0.00 O ATOM 1099 CB ASP A 67 -5.341 -9.942 1.426 1.00 0.00 C ATOM 1100 CG ASP A 67 -4.055 -10.655 1.048 1.00 0.00 C ATOM 1101 OD1 ASP A 67 -2.971 -10.070 1.249 1.00 0.00 O ATOM 1102 OD2 ASP A 67 -4.135 -11.797 0.549 1.00 0.00 O ATOM 0 H ASP A 67 -7.604 -9.770 2.459 1.00 0.00 H new ATOM 0 HA ASP A 67 -5.078 -10.755 3.407 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -6.184 -10.445 0.953 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -5.317 -8.925 1.035 1.00 0.00 H new ATOM 1107 N VAL A 68 -5.647 -7.501 3.381 1.00 0.00 N ATOM 1108 CA VAL A 68 -5.159 -6.214 3.881 1.00 0.00 C ATOM 1109 C VAL A 68 -5.168 -6.156 5.410 1.00 0.00 C ATOM 1110 O VAL A 68 -4.348 -5.461 6.005 1.00 0.00 O ATOM 1111 CB VAL A 68 -5.956 -5.014 3.320 1.00 0.00 C ATOM 1112 CG1 VAL A 68 -5.520 -4.696 1.899 1.00 0.00 C ATOM 1113 CG2 VAL A 68 -7.457 -5.264 3.376 1.00 0.00 C ATOM 0 H VAL A 68 -6.560 -7.457 2.929 1.00 0.00 H new ATOM 0 HA VAL A 68 -4.131 -6.136 3.526 1.00 0.00 H new ATOM 0 HB VAL A 68 -5.740 -4.152 3.951 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -6.093 -3.849 1.524 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -4.459 -4.448 1.891 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -5.695 -5.563 1.262 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -7.985 -4.400 2.974 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -7.701 -6.146 2.784 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -7.761 -5.425 4.410 1.00 0.00 H new ATOM 1123 N GLN A 69 -6.112 -6.873 6.030 1.00 0.00 N ATOM 1124 CA GLN A 69 -6.256 -6.902 7.493 1.00 0.00 C ATOM 1125 C GLN A 69 -4.932 -7.192 8.208 1.00 0.00 C ATOM 1126 O GLN A 69 -4.656 -6.620 9.262 1.00 0.00 O ATOM 1127 CB GLN A 69 -7.297 -7.951 7.898 1.00 0.00 C ATOM 1128 CG GLN A 69 -8.045 -7.607 9.177 1.00 0.00 C ATOM 1129 CD GLN A 69 -9.163 -6.611 8.945 1.00 0.00 C ATOM 1130 OE1 GLN A 69 -10.277 -6.985 8.582 1.00 0.00 O ATOM 1131 NE2 GLN A 69 -8.869 -5.332 9.147 1.00 0.00 N ATOM 0 H GLN A 69 -6.795 -7.447 5.536 1.00 0.00 H new ATOM 0 HA GLN A 69 -6.585 -5.909 7.800 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -8.016 -8.068 7.087 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -6.800 -8.913 8.025 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -8.458 -8.518 9.609 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -7.344 -7.199 9.905 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -7.932 -5.066 9.448 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -9.581 -4.616 9.001 1.00 0.00 H new ATOM 1140 N ALA A 70 -4.115 -8.069 7.625 1.00 0.00 N ATOM 1141 CA ALA A 70 -2.825 -8.435 8.208 1.00 0.00 C ATOM 1142 C ALA A 70 -1.824 -7.282 8.128 1.00 0.00 C ATOM 1143 O ALA A 70 -1.010 -7.089 9.033 1.00 0.00 O ATOM 1144 CB ALA A 70 -2.273 -9.668 7.507 1.00 0.00 C ATOM 0 H ALA A 70 -4.325 -8.541 6.745 1.00 0.00 H new ATOM 0 HA ALA A 70 -2.981 -8.660 9.263 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -1.312 -9.936 7.945 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -2.970 -10.497 7.627 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -2.141 -9.455 6.446 1.00 0.00 H new ATOM 1150 N ARG A 71 -1.899 -6.514 7.041 1.00 0.00 N ATOM 1151 CA ARG A 71 -1.008 -5.374 6.825 1.00 0.00 C ATOM 1152 C ARG A 71 -1.372 -4.198 7.725 1.00 0.00 C ATOM 1153 O ARG A 71 -0.501 -3.439 8.144 1.00 0.00 O ATOM 1154 CB ARG A 71 -1.072 -4.922 5.367 1.00 0.00 C ATOM 1155 CG ARG A 71 -0.437 -5.893 4.386 1.00 0.00 C ATOM 1156 CD ARG A 71 -0.265 -5.246 3.022 1.00 0.00 C ATOM 1157 NE ARG A 71 0.293 -6.164 2.032 1.00 0.00 N ATOM 1158 CZ ARG A 71 1.156 -5.799 1.083 1.00 0.00 C ATOM 1159 NH1 ARG A 71 1.562 -4.538 0.992 1.00 0.00 N ATOM 1160 NH2 ARG A 71 1.611 -6.694 0.219 1.00 0.00 N ATOM 0 H ARG A 71 -2.574 -6.663 6.291 1.00 0.00 H new ATOM 0 HA ARG A 71 0.002 -5.701 7.071 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -2.116 -4.773 5.090 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -0.577 -3.955 5.276 1.00 0.00 H new ATOM 0 HG2 ARG A 71 0.532 -6.218 4.764 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -1.058 -6.784 4.295 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -1.231 -4.883 2.672 1.00 0.00 H new ATOM 0 HD3 ARG A 71 0.387 -4.378 3.115 1.00 0.00 H new ATOM 0 HE ARG A 71 0.006 -7.142 2.069 1.00 0.00 H new ATOM 0 HH11 ARG A 71 1.214 -3.841 1.651 1.00 0.00 H new ATOM 0 HH12 ARG A 71 2.222 -4.266 0.264 1.00 0.00 H new ATOM 0 HH21 ARG A 71 1.301 -7.664 0.279 1.00 0.00 H new ATOM 0 HH22 ARG A 71 2.271 -6.413 -0.506 1.00 0.00 H new ATOM 1174 N ILE A 72 -2.664 -4.041 8.006 1.00 0.00 N ATOM 1175 CA ILE A 72 -3.134 -2.955 8.861 1.00 0.00 C ATOM 1176 C ILE A 72 -2.678 -3.183 10.304 1.00 0.00 C ATOM 1177 O ILE A 72 -2.416 -2.231 11.045 1.00 0.00 O ATOM 1178 CB ILE A 72 -4.678 -2.818 8.812 1.00 0.00 C ATOM 1179 CG1 ILE A 72 -5.142 -2.522 7.383 1.00 0.00 C ATOM 1180 CG2 ILE A 72 -5.165 -1.722 9.754 1.00 0.00 C ATOM 1181 CD1 ILE A 72 -6.454 -3.184 7.021 1.00 0.00 C ATOM 0 H ILE A 72 -3.402 -4.651 7.655 1.00 0.00 H new ATOM 0 HA ILE A 72 -2.701 -2.028 8.486 1.00 0.00 H new ATOM 0 HB ILE A 72 -5.107 -3.765 9.138 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -5.243 -1.444 7.259 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -4.373 -2.853 6.685 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -6.251 -1.650 9.698 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -4.870 -1.962 10.775 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -4.722 -0.769 9.463 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -6.719 -2.929 5.995 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -6.353 -4.265 7.112 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -7.236 -2.835 7.695 1.00 0.00 H new ATOM 1193 N ASN A 73 -2.566 -4.458 10.684 1.00 0.00 N ATOM 1194 CA ASN A 73 -2.138 -4.829 12.033 1.00 0.00 C ATOM 1195 C ASN A 73 -0.670 -4.477 12.275 1.00 0.00 C ATOM 1196 O ASN A 73 -0.324 -3.947 13.330 1.00 0.00 O ATOM 1197 CB ASN A 73 -2.342 -6.329 12.266 1.00 0.00 C ATOM 1198 CG ASN A 73 -3.804 -6.712 12.399 1.00 0.00 C ATOM 1199 OD1 ASN A 73 -4.625 -5.929 12.873 1.00 0.00 O ATOM 1200 ND2 ASN A 73 -4.135 -7.928 11.979 1.00 0.00 N ATOM 0 H ASN A 73 -2.766 -5.251 10.075 1.00 0.00 H new ATOM 0 HA ASN A 73 -2.750 -4.261 12.734 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -1.900 -6.884 11.438 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -1.810 -6.627 13.169 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -5.103 -8.244 12.043 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -3.421 -8.546 11.592 1.00 0.00 H new ATOM 1207 N VAL A 74 0.192 -4.779 11.300 1.00 0.00 N ATOM 1208 CA VAL A 74 1.621 -4.493 11.431 1.00 0.00 C ATOM 1209 C VAL A 74 1.903 -2.997 11.284 1.00 0.00 C ATOM 1210 O VAL A 74 2.780 -2.461 11.957 1.00 0.00 O ATOM 1211 CB VAL A 74 2.481 -5.306 10.427 1.00 0.00 C ATOM 1212 CG1 VAL A 74 2.251 -4.852 8.995 1.00 0.00 C ATOM 1213 CG2 VAL A 74 3.960 -5.213 10.783 1.00 0.00 C ATOM 0 H VAL A 74 -0.073 -5.218 10.418 1.00 0.00 H new ATOM 0 HA VAL A 74 1.908 -4.805 12.435 1.00 0.00 H new ATOM 0 HB VAL A 74 2.169 -6.348 10.500 1.00 0.00 H new ATOM 0 HG11 VAL A 74 2.870 -5.444 8.322 1.00 0.00 H new ATOM 0 HG12 VAL A 74 1.201 -4.986 8.735 1.00 0.00 H new ATOM 0 HG13 VAL A 74 2.516 -3.799 8.900 1.00 0.00 H new ATOM 0 HG21 VAL A 74 4.544 -5.790 10.066 1.00 0.00 H new ATOM 0 HG22 VAL A 74 4.277 -4.170 10.753 1.00 0.00 H new ATOM 0 HG23 VAL A 74 4.119 -5.612 11.785 1.00 0.00 H new ATOM 1223 N LEU A 75 1.151 -2.332 10.406 1.00 0.00 N ATOM 1224 CA LEU A 75 1.313 -0.899 10.165 1.00 0.00 C ATOM 1225 C LEU A 75 1.084 -0.091 11.436 1.00 0.00 C ATOM 1226 O LEU A 75 1.783 0.887 11.695 1.00 0.00 O ATOM 1227 CB LEU A 75 0.337 -0.443 9.078 1.00 0.00 C ATOM 1228 CG LEU A 75 0.897 0.582 8.096 1.00 0.00 C ATOM 1229 CD1 LEU A 75 2.023 -0.025 7.278 1.00 0.00 C ATOM 1230 CD2 LEU A 75 -0.202 1.107 7.184 1.00 0.00 C ATOM 0 H LEU A 75 0.418 -2.768 9.846 1.00 0.00 H new ATOM 0 HA LEU A 75 2.338 -0.726 9.836 1.00 0.00 H new ATOM 0 HB2 LEU A 75 0.007 -1.318 8.518 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -0.545 -0.020 9.558 1.00 0.00 H new ATOM 0 HG LEU A 75 1.298 1.420 8.666 1.00 0.00 H new ATOM 0 HD11 LEU A 75 2.410 0.720 6.583 1.00 0.00 H new ATOM 0 HD12 LEU A 75 2.822 -0.350 7.944 1.00 0.00 H new ATOM 0 HD13 LEU A 75 1.646 -0.881 6.719 1.00 0.00 H new ATOM 0 HD21 LEU A 75 0.218 1.837 6.491 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -0.634 0.279 6.622 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -0.978 1.582 7.785 1.00 0.00 H new ATOM 1242 N ARG A 76 0.115 -0.526 12.231 1.00 0.00 N ATOM 1243 CA ARG A 76 -0.233 0.143 13.470 1.00 0.00 C ATOM 1244 C ARG A 76 0.882 0.052 14.517 1.00 0.00 C ATOM 1245 O ARG A 76 1.216 1.045 15.162 1.00 0.00 O ATOM 1246 CB ARG A 76 -1.521 -0.466 14.019 1.00 0.00 C ATOM 1247 CG ARG A 76 -2.407 0.534 14.732 1.00 0.00 C ATOM 1248 CD ARG A 76 -3.381 1.197 13.775 1.00 0.00 C ATOM 1249 NE ARG A 76 -4.269 2.127 14.462 1.00 0.00 N ATOM 1250 CZ ARG A 76 -5.295 2.739 13.876 1.00 0.00 C ATOM 1251 NH1 ARG A 76 -5.561 2.518 12.595 1.00 0.00 N ATOM 1252 NH2 ARG A 76 -6.058 3.569 14.573 1.00 0.00 N ATOM 0 H ARG A 76 -0.449 -1.352 12.032 1.00 0.00 H new ATOM 0 HA ARG A 76 -0.376 1.202 13.253 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -2.080 -0.914 13.198 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -1.268 -1.271 14.709 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -2.960 0.031 15.525 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -1.789 1.295 15.208 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -2.826 1.729 13.002 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -3.974 0.433 13.273 1.00 0.00 H new ATOM 0 HE ARG A 76 -4.094 2.320 15.448 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -4.978 1.877 12.056 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -6.348 2.989 12.149 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -5.859 3.739 15.559 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -6.844 4.038 14.124 1.00 0.00 H new ATOM 1266 N ALA A 77 1.464 -1.132 14.677 1.00 0.00 N ATOM 1267 CA ALA A 77 2.514 -1.335 15.673 1.00 0.00 C ATOM 1268 C ALA A 77 3.912 -0.993 15.150 1.00 0.00 C ATOM 1269 O ALA A 77 4.871 -0.969 15.921 1.00 0.00 O ATOM 1270 CB ALA A 77 2.477 -2.768 16.183 1.00 0.00 C ATOM 0 H ALA A 77 1.229 -1.963 14.134 1.00 0.00 H new ATOM 0 HA ALA A 77 2.311 -0.645 16.492 1.00 0.00 H new ATOM 0 HB1 ALA A 77 3.263 -2.911 16.925 1.00 0.00 H new ATOM 0 HB2 ALA A 77 1.507 -2.967 16.639 1.00 0.00 H new ATOM 0 HB3 ALA A 77 2.635 -3.454 15.351 1.00 0.00 H new ATOM 1276 N HIS A 78 4.033 -0.721 13.851 1.00 0.00 N ATOM 1277 CA HIS A 78 5.334 -0.394 13.265 1.00 0.00 C ATOM 1278 C HIS A 78 5.607 1.111 13.276 1.00 0.00 C ATOM 1279 O HIS A 78 6.713 1.547 12.954 1.00 0.00 O ATOM 1280 CB HIS A 78 5.435 -0.935 11.835 1.00 0.00 C ATOM 1281 CG HIS A 78 6.771 -1.543 11.528 1.00 0.00 C ATOM 1282 ND1 HIS A 78 7.020 -2.899 11.598 1.00 0.00 N ATOM 1283 CD2 HIS A 78 7.941 -0.969 11.163 1.00 0.00 C ATOM 1284 CE1 HIS A 78 8.286 -3.128 11.298 1.00 0.00 C ATOM 1285 NE2 HIS A 78 8.864 -1.976 11.029 1.00 0.00 N ATOM 0 H HIS A 78 3.256 -0.720 13.190 1.00 0.00 H new ATOM 0 HA HIS A 78 6.092 -0.874 13.884 1.00 0.00 H new ATOM 0 HB2 HIS A 78 4.658 -1.684 11.681 1.00 0.00 H new ATOM 0 HB3 HIS A 78 5.241 -0.125 11.132 1.00 0.00 H new ATOM 0 HD1 HIS A 78 6.334 -3.613 11.843 1.00 0.00 H new ATOM 0 HD2 HIS A 78 8.116 0.085 11.006 1.00 0.00 H new ATOM 0 HE1 HIS A 78 8.765 -4.096 11.277 1.00 0.00 H new ATOM 1294 N GLY A 79 4.605 1.902 13.648 1.00 0.00 N ATOM 1295 CA GLY A 79 4.783 3.345 13.694 1.00 0.00 C ATOM 1296 C GLY A 79 4.128 4.058 12.527 1.00 0.00 C ATOM 1297 O GLY A 79 4.165 5.285 12.443 1.00 0.00 O ATOM 0 H GLY A 79 3.678 1.574 13.917 1.00 0.00 H new ATOM 0 HA2 GLY A 79 4.368 3.728 14.626 1.00 0.00 H new ATOM 0 HA3 GLY A 79 5.849 3.574 13.702 1.00 0.00 H new ATOM 1301 N TYR A 80 3.524 3.287 11.628 1.00 0.00 N ATOM 1302 CA TYR A 80 2.853 3.847 10.456 1.00 0.00 C ATOM 1303 C TYR A 80 1.344 3.920 10.705 1.00 0.00 C ATOM 1304 O TYR A 80 0.533 3.545 9.858 1.00 0.00 O ATOM 1305 CB TYR A 80 3.171 3.001 9.217 1.00 0.00 C ATOM 1306 CG TYR A 80 4.630 3.049 8.806 1.00 0.00 C ATOM 1307 CD1 TYR A 80 5.596 2.349 9.521 1.00 0.00 C ATOM 1308 CD2 TYR A 80 5.042 3.791 7.706 1.00 0.00 C ATOM 1309 CE1 TYR A 80 6.926 2.389 9.154 1.00 0.00 C ATOM 1310 CE2 TYR A 80 6.373 3.836 7.332 1.00 0.00 C ATOM 1311 CZ TYR A 80 7.309 3.131 8.060 1.00 0.00 C ATOM 1312 OH TYR A 80 8.634 3.168 7.695 1.00 0.00 O ATOM 0 H TYR A 80 3.485 2.270 11.688 1.00 0.00 H new ATOM 0 HA TYR A 80 3.217 4.859 10.278 1.00 0.00 H new ATOM 0 HB2 TYR A 80 2.891 1.966 9.413 1.00 0.00 H new ATOM 0 HB3 TYR A 80 2.557 3.345 8.385 1.00 0.00 H new ATOM 0 HD1 TYR A 80 5.300 1.764 10.379 1.00 0.00 H new ATOM 0 HD2 TYR A 80 4.311 4.342 7.133 1.00 0.00 H new ATOM 0 HE1 TYR A 80 7.663 1.841 9.723 1.00 0.00 H new ATOM 0 HE2 TYR A 80 6.677 4.419 6.476 1.00 0.00 H new ATOM 0 HH TYR A 80 8.814 3.994 7.199 1.00 0.00 H new ATOM 1322 N GLN A 81 1.002 4.415 11.892 1.00 0.00 N ATOM 1323 CA GLN A 81 -0.388 4.558 12.341 1.00 0.00 C ATOM 1324 C GLN A 81 -1.177 5.557 11.496 1.00 0.00 C ATOM 1325 O GLN A 81 -2.338 5.309 11.168 1.00 0.00 O ATOM 1326 CB GLN A 81 -0.415 5.001 13.804 1.00 0.00 C ATOM 1327 CG GLN A 81 0.075 3.942 14.774 1.00 0.00 C ATOM 1328 CD GLN A 81 0.022 4.402 16.219 1.00 0.00 C ATOM 1329 OE1 GLN A 81 -0.987 4.232 16.899 1.00 0.00 O ATOM 1330 NE2 GLN A 81 1.115 4.989 16.694 1.00 0.00 N ATOM 0 H GLN A 81 1.686 4.732 12.579 1.00 0.00 H new ATOM 0 HA GLN A 81 -0.864 3.584 12.228 1.00 0.00 H new ATOM 0 HB2 GLN A 81 0.200 5.894 13.915 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -1.434 5.281 14.070 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -0.531 3.043 14.661 1.00 0.00 H new ATOM 0 HG3 GLN A 81 1.100 3.670 14.521 1.00 0.00 H new ATOM 0 HE21 GLN A 81 1.931 5.110 16.094 1.00 0.00 H new ATOM 0 HE22 GLN A 81 1.138 5.319 17.659 1.00 0.00 H new ATOM 1339 N ALA A 82 -0.552 6.690 11.164 1.00 0.00 N ATOM 1340 CA ALA A 82 -1.199 7.727 10.355 1.00 0.00 C ATOM 1341 C ALA A 82 -1.624 7.173 9.000 1.00 0.00 C ATOM 1342 O ALA A 82 -2.650 7.565 8.444 1.00 0.00 O ATOM 1343 CB ALA A 82 -0.263 8.913 10.177 1.00 0.00 C ATOM 0 H ALA A 82 0.403 6.913 11.444 1.00 0.00 H new ATOM 0 HA ALA A 82 -2.095 8.062 10.878 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -0.754 9.677 9.574 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -0.011 9.327 11.153 1.00 0.00 H new ATOM 0 HB3 ALA A 82 0.648 8.586 9.676 1.00 0.00 H new ATOM 1349 N LEU A 83 -0.811 6.260 8.482 1.00 0.00 N ATOM 1350 CA LEU A 83 -1.071 5.613 7.205 1.00 0.00 C ATOM 1351 C LEU A 83 -2.199 4.593 7.335 1.00 0.00 C ATOM 1352 O LEU A 83 -3.043 4.465 6.447 1.00 0.00 O ATOM 1353 CB LEU A 83 0.203 4.919 6.719 1.00 0.00 C ATOM 1354 CG LEU A 83 1.241 5.839 6.069 1.00 0.00 C ATOM 1355 CD1 LEU A 83 2.140 6.467 7.123 1.00 0.00 C ATOM 1356 CD2 LEU A 83 2.073 5.068 5.060 1.00 0.00 C ATOM 0 H LEU A 83 0.047 5.948 8.937 1.00 0.00 H new ATOM 0 HA LEU A 83 -1.376 6.371 6.483 1.00 0.00 H new ATOM 0 HB2 LEU A 83 0.668 4.415 7.566 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -0.074 4.147 6.001 1.00 0.00 H new ATOM 0 HG LEU A 83 0.711 6.637 5.549 1.00 0.00 H new ATOM 0 HD11 LEU A 83 2.869 7.116 6.639 1.00 0.00 H new ATOM 0 HD12 LEU A 83 1.535 7.053 7.815 1.00 0.00 H new ATOM 0 HD13 LEU A 83 2.661 5.682 7.672 1.00 0.00 H new ATOM 0 HD21 LEU A 83 2.806 5.736 4.607 1.00 0.00 H new ATOM 0 HD22 LEU A 83 2.589 4.250 5.563 1.00 0.00 H new ATOM 0 HD23 LEU A 83 1.422 4.664 4.285 1.00 0.00 H new ATOM 1368 N ALA A 84 -2.210 3.883 8.467 1.00 0.00 N ATOM 1369 CA ALA A 84 -3.206 2.848 8.738 1.00 0.00 C ATOM 1370 C ALA A 84 -4.603 3.424 8.957 1.00 0.00 C ATOM 1371 O ALA A 84 -5.595 2.708 8.843 1.00 0.00 O ATOM 1372 CB ALA A 84 -2.780 2.025 9.948 1.00 0.00 C ATOM 0 H ALA A 84 -1.531 4.010 9.217 1.00 0.00 H new ATOM 0 HA ALA A 84 -3.260 2.209 7.857 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -3.526 1.255 10.145 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -1.817 1.555 9.747 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -2.691 2.676 10.818 1.00 0.00 H new ATOM 1378 N ASP A 85 -4.679 4.713 9.271 1.00 0.00 N ATOM 1379 CA ASP A 85 -5.960 5.371 9.506 1.00 0.00 C ATOM 1380 C ASP A 85 -6.616 5.814 8.197 1.00 0.00 C ATOM 1381 O ASP A 85 -7.843 5.881 8.101 1.00 0.00 O ATOM 1382 CB ASP A 85 -5.766 6.580 10.424 1.00 0.00 C ATOM 1383 CG ASP A 85 -6.998 6.883 11.250 1.00 0.00 C ATOM 1384 OD1 ASP A 85 -7.179 6.234 12.303 1.00 0.00 O ATOM 1385 OD2 ASP A 85 -7.784 7.766 10.845 1.00 0.00 O ATOM 0 H ASP A 85 -3.868 5.324 9.369 1.00 0.00 H new ATOM 0 HA ASP A 85 -6.621 4.649 9.985 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -4.923 6.396 11.089 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -5.512 7.453 9.822 1.00 0.00 H new ATOM 1390 N LYS A 86 -5.796 6.105 7.192 1.00 0.00 N ATOM 1391 CA LYS A 86 -6.297 6.560 5.898 1.00 0.00 C ATOM 1392 C LYS A 86 -6.845 5.409 5.053 1.00 0.00 C ATOM 1393 O LYS A 86 -7.927 5.521 4.475 1.00 0.00 O ATOM 1394 CB LYS A 86 -5.193 7.291 5.130 1.00 0.00 C ATOM 1395 CG LYS A 86 -4.898 8.679 5.675 1.00 0.00 C ATOM 1396 CD LYS A 86 -3.779 9.356 4.901 1.00 0.00 C ATOM 1397 CE LYS A 86 -3.483 10.744 5.448 1.00 0.00 C ATOM 1398 NZ LYS A 86 -2.744 10.686 6.739 1.00 0.00 N ATOM 0 H LYS A 86 -4.780 6.034 7.248 1.00 0.00 H new ATOM 0 HA LYS A 86 -7.122 7.245 6.094 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -4.281 6.694 5.163 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -5.483 7.374 4.082 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -5.799 9.290 5.623 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -4.622 8.607 6.727 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -2.878 8.744 4.952 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -4.056 9.430 3.849 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -2.897 11.304 4.719 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -4.418 11.286 5.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -2.562 11.652 7.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -3.314 10.174 7.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -1.840 10.192 6.599 1.00 0.00 H new ATOM 1412 N LEU A 87 -6.103 4.304 4.985 1.00 0.00 N ATOM 1413 CA LEU A 87 -6.526 3.151 4.188 1.00 0.00 C ATOM 1414 C LEU A 87 -7.680 2.386 4.841 1.00 0.00 C ATOM 1415 O LEU A 87 -8.511 1.805 4.144 1.00 0.00 O ATOM 1416 CB LEU A 87 -5.346 2.203 3.921 1.00 0.00 C ATOM 1417 CG LEU A 87 -4.451 1.885 5.125 1.00 0.00 C ATOM 1418 CD1 LEU A 87 -4.901 0.605 5.808 1.00 0.00 C ATOM 1419 CD2 LEU A 87 -3.000 1.766 4.687 1.00 0.00 C ATOM 0 H LEU A 87 -5.213 4.182 5.468 1.00 0.00 H new ATOM 0 HA LEU A 87 -6.887 3.543 3.237 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -5.741 1.265 3.530 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -4.726 2.639 3.138 1.00 0.00 H new ATOM 0 HG LEU A 87 -4.536 2.703 5.840 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -4.252 0.399 6.659 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -5.928 0.719 6.154 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -4.846 -0.223 5.101 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -2.376 1.540 5.552 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -2.906 0.966 3.953 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -2.676 2.707 4.242 1.00 0.00 H new ATOM 1431 N ASN A 88 -7.730 2.387 6.173 1.00 0.00 N ATOM 1432 CA ASN A 88 -8.781 1.677 6.901 1.00 0.00 C ATOM 1433 C ASN A 88 -10.137 2.359 6.745 1.00 0.00 C ATOM 1434 O ASN A 88 -11.166 1.692 6.669 1.00 0.00 O ATOM 1435 CB ASN A 88 -8.427 1.566 8.383 1.00 0.00 C ATOM 1436 CG ASN A 88 -9.014 0.326 9.027 1.00 0.00 C ATOM 1437 OD1 ASN A 88 -8.429 -0.755 8.970 1.00 0.00 O ATOM 1438 ND2 ASN A 88 -10.180 0.474 9.644 1.00 0.00 N ATOM 0 H ASN A 88 -7.057 2.870 6.768 1.00 0.00 H new ATOM 0 HA ASN A 88 -8.853 0.678 6.471 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -7.343 1.551 8.494 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -8.789 2.450 8.907 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -10.624 -0.326 10.094 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -10.632 1.388 9.668 1.00 0.00 H new ATOM 1445 N LYS A 89 -10.133 3.688 6.693 1.00 0.00 N ATOM 1446 CA LYS A 89 -11.371 4.445 6.556 1.00 0.00 C ATOM 1447 C LYS A 89 -11.978 4.262 5.170 1.00 0.00 C ATOM 1448 O LYS A 89 -13.196 4.167 5.026 1.00 0.00 O ATOM 1449 CB LYS A 89 -11.125 5.927 6.832 1.00 0.00 C ATOM 1450 CG LYS A 89 -12.304 6.617 7.496 1.00 0.00 C ATOM 1451 CD LYS A 89 -12.001 8.070 7.810 1.00 0.00 C ATOM 1452 CE LYS A 89 -13.200 8.756 8.443 1.00 0.00 C ATOM 1453 NZ LYS A 89 -12.926 10.186 8.751 1.00 0.00 N ATOM 0 H LYS A 89 -9.290 4.260 6.743 1.00 0.00 H new ATOM 0 HA LYS A 89 -12.079 4.062 7.291 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -10.246 6.030 7.469 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -10.899 6.432 5.893 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -13.174 6.560 6.842 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -12.562 6.092 8.416 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -11.147 8.129 8.485 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -11.721 8.592 6.895 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -14.054 8.688 7.769 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -13.474 8.234 9.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -13.769 10.616 9.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -12.127 10.251 9.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -12.689 10.691 7.873 1.00 0.00 H new ATOM 1467 N TYR A 90 -11.120 4.211 4.153 1.00 0.00 N ATOM 1468 CA TYR A 90 -11.565 4.020 2.776 1.00 0.00 C ATOM 1469 C TYR A 90 -12.101 2.604 2.588 1.00 0.00 C ATOM 1470 O TYR A 90 -12.955 2.352 1.738 1.00 0.00 O ATOM 1471 CB TYR A 90 -10.404 4.271 1.813 1.00 0.00 C ATOM 1472 CG TYR A 90 -10.837 4.597 0.402 1.00 0.00 C ATOM 1473 CD1 TYR A 90 -11.202 5.888 0.048 1.00 0.00 C ATOM 1474 CD2 TYR A 90 -10.879 3.609 -0.575 1.00 0.00 C ATOM 1475 CE1 TYR A 90 -11.597 6.187 -1.242 1.00 0.00 C ATOM 1476 CE2 TYR A 90 -11.272 3.902 -1.865 1.00 0.00 C ATOM 1477 CZ TYR A 90 -11.631 5.192 -2.194 1.00 0.00 C ATOM 1478 OH TYR A 90 -12.021 5.489 -3.477 1.00 0.00 O ATOM 0 H TYR A 90 -10.109 4.300 4.258 1.00 0.00 H new ATOM 0 HA TYR A 90 -12.364 4.730 2.563 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -9.799 5.093 2.196 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -9.765 3.388 1.792 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -11.177 6.671 0.792 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -10.600 2.597 -0.321 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -11.878 7.197 -1.503 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -11.298 3.124 -2.614 1.00 0.00 H new ATOM 0 HH TYR A 90 -11.989 4.677 -4.025 1.00 0.00 H new ATOM 1488 N LEU A 91 -11.591 1.691 3.405 1.00 0.00 N ATOM 1489 CA LEU A 91 -11.980 0.289 3.357 1.00 0.00 C ATOM 1490 C LEU A 91 -13.378 0.069 3.941 1.00 0.00 C ATOM 1491 O LEU A 91 -14.151 -0.741 3.430 1.00 0.00 O ATOM 1492 CB LEU A 91 -10.945 -0.536 4.121 1.00 0.00 C ATOM 1493 CG LEU A 91 -11.320 -1.991 4.379 1.00 0.00 C ATOM 1494 CD1 LEU A 91 -10.644 -2.900 3.365 1.00 0.00 C ATOM 1495 CD2 LEU A 91 -10.931 -2.379 5.796 1.00 0.00 C ATOM 0 H LEU A 91 -10.895 1.903 4.120 1.00 0.00 H new ATOM 0 HA LEU A 91 -12.016 -0.030 2.315 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -10.008 -0.515 3.565 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -10.758 -0.053 5.080 1.00 0.00 H new ATOM 0 HG LEU A 91 -12.398 -2.106 4.269 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -10.922 -3.935 3.563 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -10.963 -2.624 2.360 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -9.562 -2.793 3.445 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -11.201 -3.420 5.975 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -9.856 -2.256 5.925 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -11.457 -1.740 6.506 1.00 0.00 H new ATOM 1507 N THR A 92 -13.700 0.796 5.009 1.00 0.00 N ATOM 1508 CA THR A 92 -15.004 0.676 5.659 1.00 0.00 C ATOM 1509 C THR A 92 -15.971 1.753 5.164 1.00 0.00 C ATOM 1510 O THR A 92 -17.026 1.977 5.759 1.00 0.00 O ATOM 1511 CB THR A 92 -14.885 0.763 7.195 1.00 0.00 C ATOM 1512 OG1 THR A 92 -13.599 0.292 7.615 1.00 0.00 O ATOM 1513 CG2 THR A 92 -15.973 -0.061 7.870 1.00 0.00 C ATOM 0 H THR A 92 -13.075 1.475 5.443 1.00 0.00 H new ATOM 0 HA THR A 92 -15.397 -0.306 5.394 1.00 0.00 H new ATOM 0 HB THR A 92 -15.004 1.806 7.487 1.00 0.00 H new ATOM 0 HG1 THR A 92 -12.912 0.941 7.355 1.00 0.00 H new ATOM 0 HG21 THR A 92 -15.869 0.016 8.952 1.00 0.00 H new ATOM 0 HG22 THR A 92 -16.952 0.315 7.572 1.00 0.00 H new ATOM 0 HG23 THR A 92 -15.878 -1.104 7.569 1.00 0.00 H new ATOM 1521 N LEU A 93 -15.606 2.414 4.068 1.00 0.00 N ATOM 1522 CA LEU A 93 -16.438 3.471 3.493 1.00 0.00 C ATOM 1523 C LEU A 93 -17.655 2.903 2.759 1.00 0.00 C ATOM 1524 O LEU A 93 -18.464 3.663 2.224 1.00 0.00 O ATOM 1525 CB LEU A 93 -15.615 4.335 2.539 1.00 0.00 C ATOM 1526 CG LEU A 93 -16.152 5.751 2.327 1.00 0.00 C ATOM 1527 CD1 LEU A 93 -15.711 6.665 3.460 1.00 0.00 C ATOM 1528 CD2 LEU A 93 -15.695 6.301 0.986 1.00 0.00 C ATOM 0 H LEU A 93 -14.740 2.237 3.559 1.00 0.00 H new ATOM 0 HA LEU A 93 -16.800 4.084 4.318 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -14.596 4.402 2.920 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -15.562 3.834 1.573 1.00 0.00 H new ATOM 0 HG LEU A 93 -17.241 5.708 2.326 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -16.103 7.668 3.292 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -16.092 6.281 4.406 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -14.622 6.702 3.495 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -16.087 7.309 0.854 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -14.606 6.328 0.956 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -16.064 5.660 0.185 1.00 0.00 H new ATOM 1540 N GLU A 94 -17.770 1.569 2.744 1.00 0.00 N ATOM 1541 CA GLU A 94 -18.881 0.870 2.091 1.00 0.00 C ATOM 1542 C GLU A 94 -18.776 0.954 0.569 1.00 0.00 C ATOM 1543 O GLU A 94 -19.191 1.986 -0.005 1.00 0.00 O ATOM 1544 CB GLU A 94 -20.233 1.420 2.563 1.00 0.00 C ATOM 1545 CG GLU A 94 -20.624 0.963 3.959 1.00 0.00 C ATOM 1546 CD GLU A 94 -22.004 1.442 4.362 1.00 0.00 C ATOM 1547 OE1 GLU A 94 -22.111 2.566 4.896 1.00 0.00 O ATOM 1548 OE2 GLU A 94 -22.980 0.693 4.142 1.00 0.00 O ATOM 0 H GLU A 94 -17.094 0.945 3.185 1.00 0.00 H new ATOM 0 HA GLU A 94 -18.816 -0.180 2.378 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -20.199 2.509 2.543 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -21.006 1.112 1.859 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -20.594 -0.126 4.003 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -19.891 1.331 4.677 1.00 0.00 H new TER 1555 GLU A 94