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 Set 1.1: A 2 THR OG1 : rot -144:sc= -0.0916 USER MOD Set 1.2: A 5 GLN : amide:sc= 0.123 K(o=0.031,f=-0.63) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -172:sc= 0 (180deg=-0.0626) USER MOD Single : A 19 ASN : amide:sc= 0.511 K(o=0.51,f=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.0391 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot -148:sc= -0.991 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0.0288 USER MOD Single : A 52 GLN : amide:sc= 0.284 X(o=0.28,f=-0.0083) USER MOD Single : A 54 LYS NZ :NH3+ -154:sc= -0.314 (180deg=-0.686) USER MOD Single : A 55 LYS NZ :NH3+ 146:sc= -0.0836 (180deg=-2.39!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc=-0.00869 X(o=-0.0087,f=0) USER MOD Single : A 73 ASN : amide:sc= -0.0182 K(o=-0.018,f=-1) USER MOD Single : A 78 HIS : no HD1:sc= -0.636 K(o=-0.64,f=-3.6!) USER MOD Single : A 80 TYR OH : rot 178:sc= 0.0783 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= -0.0942 X(o=-0.094,f=0) USER MOD Single : A 89 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0328) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 83:sc= 1.23 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -10.717 4.473 -14.240 1.00 0.00 N ATOM 2 CA MET A 1 -11.818 3.476 -14.268 1.00 0.00 C ATOM 3 C MET A 1 -12.961 3.910 -13.362 1.00 0.00 C ATOM 4 O MET A 1 -14.131 3.790 -13.724 1.00 0.00 O ATOM 5 CB MET A 1 -11.303 2.101 -13.836 1.00 0.00 C ATOM 6 CG MET A 1 -10.425 1.430 -14.880 1.00 0.00 C ATOM 7 SD MET A 1 -11.297 1.113 -16.425 1.00 0.00 S ATOM 8 CE MET A 1 -10.002 0.332 -17.385 1.00 0.00 C ATOM 0 H1 MET A 1 -10.010 4.230 -14.963 1.00 0.00 H new ATOM 0 H2 MET A 1 -11.101 5.420 -14.436 1.00 0.00 H new ATOM 0 H3 MET A 1 -10.268 4.469 -13.302 1.00 0.00 H new ATOM 0 HA MET A 1 -12.190 3.410 -15.290 1.00 0.00 H new ATOM 0 HB2 MET A 1 -10.737 2.207 -12.910 1.00 0.00 H new ATOM 0 HB3 MET A 1 -12.153 1.455 -13.617 1.00 0.00 H new ATOM 0 HG2 MET A 1 -9.559 2.061 -15.080 1.00 0.00 H new ATOM 0 HG3 MET A 1 -10.048 0.488 -14.481 1.00 0.00 H new ATOM 0 HE1 MET A 1 -10.386 0.074 -18.372 1.00 0.00 H new ATOM 0 HE2 MET A 1 -9.162 1.019 -17.490 1.00 0.00 H new ATOM 0 HE3 MET A 1 -9.669 -0.573 -16.878 1.00 0.00 H new ATOM 18 N THR A 2 -12.618 4.412 -12.182 1.00 0.00 N ATOM 19 CA THR A 2 -13.621 4.865 -11.232 1.00 0.00 C ATOM 20 C THR A 2 -13.357 6.306 -10.816 1.00 0.00 C ATOM 21 O THR A 2 -12.234 6.661 -10.454 1.00 0.00 O ATOM 22 CB THR A 2 -13.651 3.976 -9.977 1.00 0.00 C ATOM 23 OG1 THR A 2 -12.321 3.794 -9.488 1.00 0.00 O ATOM 24 CG2 THR A 2 -14.269 2.620 -10.285 1.00 0.00 C ATOM 0 H THR A 2 -11.655 4.515 -11.862 1.00 0.00 H new ATOM 0 HA THR A 2 -14.588 4.800 -11.731 1.00 0.00 H new ATOM 0 HB THR A 2 -14.261 4.469 -9.220 1.00 0.00 H new ATOM 0 HG1 THR A 2 -12.226 2.887 -9.129 1.00 0.00 H new ATOM 0 HG21 THR A 2 -14.278 2.011 -9.381 1.00 0.00 H new ATOM 0 HG22 THR A 2 -15.290 2.758 -10.640 1.00 0.00 H new ATOM 0 HG23 THR A 2 -13.682 2.119 -11.054 1.00 0.00 H new ATOM 32 N PRO A 3 -14.385 7.161 -10.889 1.00 0.00 N ATOM 33 CA PRO A 3 -14.273 8.575 -10.507 1.00 0.00 C ATOM 34 C PRO A 3 -13.931 8.756 -9.026 1.00 0.00 C ATOM 35 O PRO A 3 -13.315 9.746 -8.647 1.00 0.00 O ATOM 36 CB PRO A 3 -15.667 9.145 -10.810 1.00 0.00 C ATOM 37 CG PRO A 3 -16.303 8.161 -11.732 1.00 0.00 C ATOM 38 CD PRO A 3 -15.736 6.826 -11.365 1.00 0.00 C ATOM 0 HA PRO A 3 -13.469 9.076 -11.047 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -16.251 9.263 -9.897 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -15.597 10.129 -11.273 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -17.387 8.168 -11.622 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -16.086 8.404 -12.772 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -16.327 6.335 -10.591 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -15.707 6.151 -12.220 1.00 0.00 H new ATOM 46 N GLU A 4 -14.321 7.784 -8.201 1.00 0.00 N ATOM 47 CA GLU A 4 -14.063 7.843 -6.765 1.00 0.00 C ATOM 48 C GLU A 4 -12.579 7.667 -6.443 1.00 0.00 C ATOM 49 O GLU A 4 -12.055 8.317 -5.541 1.00 0.00 O ATOM 50 CB GLU A 4 -14.880 6.774 -6.035 1.00 0.00 C ATOM 51 CG GLU A 4 -15.221 7.146 -4.601 1.00 0.00 C ATOM 52 CD GLU A 4 -16.082 6.105 -3.915 1.00 0.00 C ATOM 53 OE1 GLU A 4 -17.321 6.173 -4.056 1.00 0.00 O ATOM 54 OE2 GLU A 4 -15.518 5.224 -3.234 1.00 0.00 O ATOM 0 H GLU A 4 -14.817 6.946 -8.505 1.00 0.00 H new ATOM 0 HA GLU A 4 -14.365 8.833 -6.422 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -15.804 6.595 -6.585 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -14.322 5.838 -6.036 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -14.299 7.279 -4.035 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -15.741 8.104 -4.592 1.00 0.00 H new ATOM 61 N GLN A 5 -11.903 6.798 -7.189 1.00 0.00 N ATOM 62 CA GLN A 5 -10.485 6.537 -6.957 1.00 0.00 C ATOM 63 C GLN A 5 -9.613 7.696 -7.431 1.00 0.00 C ATOM 64 O GLN A 5 -8.632 8.044 -6.782 1.00 0.00 O ATOM 65 CB GLN A 5 -10.060 5.249 -7.666 1.00 0.00 C ATOM 66 CG GLN A 5 -10.384 3.986 -6.883 1.00 0.00 C ATOM 67 CD GLN A 5 -9.754 2.748 -7.491 1.00 0.00 C ATOM 68 OE1 GLN A 5 -10.385 2.030 -8.266 1.00 0.00 O ATOM 69 NE2 GLN A 5 -8.500 2.491 -7.143 1.00 0.00 N ATOM 0 H GLN A 5 -12.312 6.264 -7.956 1.00 0.00 H new ATOM 0 HA GLN A 5 -10.345 6.426 -5.882 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -10.552 5.200 -8.638 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -8.987 5.285 -7.853 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -10.036 4.100 -5.856 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -11.465 3.856 -6.841 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -8.012 3.112 -6.497 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -8.023 1.672 -7.521 1.00 0.00 H new ATOM 78 N ARG A 6 -9.982 8.294 -8.560 1.00 0.00 N ATOM 79 CA ARG A 6 -9.218 9.401 -9.132 1.00 0.00 C ATOM 80 C ARG A 6 -9.425 10.715 -8.377 1.00 0.00 C ATOM 81 O ARG A 6 -8.685 11.677 -8.584 1.00 0.00 O ATOM 82 CB ARG A 6 -9.592 9.585 -10.602 1.00 0.00 C ATOM 83 CG ARG A 6 -8.972 8.541 -11.515 1.00 0.00 C ATOM 84 CD ARG A 6 -9.313 8.801 -12.971 1.00 0.00 C ATOM 85 NE ARG A 6 -8.733 7.797 -13.859 1.00 0.00 N ATOM 86 CZ ARG A 6 -8.852 7.828 -15.184 1.00 0.00 C ATOM 87 NH1 ARG A 6 -9.522 8.811 -15.770 1.00 0.00 N ATOM 88 NH2 ARG A 6 -8.296 6.879 -15.925 1.00 0.00 N ATOM 0 H ARG A 6 -10.807 8.031 -9.099 1.00 0.00 H new ATOM 0 HA ARG A 6 -8.163 9.141 -9.042 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -10.677 9.546 -10.701 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -9.277 10.576 -10.929 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -7.889 8.542 -11.388 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -9.325 7.550 -11.229 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -10.396 8.810 -13.093 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -8.952 9.789 -13.257 1.00 0.00 H new ATOM 0 HE ARG A 6 -8.208 7.029 -13.440 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -9.948 9.546 -15.205 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -9.612 8.832 -16.786 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -7.776 6.123 -15.479 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -8.389 6.905 -16.940 1.00 0.00 H new ATOM 102 N GLU A 7 -10.436 10.765 -7.518 1.00 0.00 N ATOM 103 CA GLU A 7 -10.721 11.974 -6.753 1.00 0.00 C ATOM 104 C GLU A 7 -10.096 11.938 -5.355 1.00 0.00 C ATOM 105 O GLU A 7 -10.036 12.964 -4.679 1.00 0.00 O ATOM 106 CB GLU A 7 -12.235 12.185 -6.641 1.00 0.00 C ATOM 107 CG GLU A 7 -12.864 12.781 -7.892 1.00 0.00 C ATOM 108 CD GLU A 7 -12.644 14.277 -8.011 1.00 0.00 C ATOM 109 OE1 GLU A 7 -11.627 14.683 -8.612 1.00 0.00 O ATOM 110 OE2 GLU A 7 -13.493 15.044 -7.509 1.00 0.00 O ATOM 0 H GLU A 7 -11.070 9.987 -7.334 1.00 0.00 H new ATOM 0 HA GLU A 7 -10.272 12.808 -7.292 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -12.711 11.228 -6.426 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -12.440 12.840 -5.795 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -12.449 12.287 -8.771 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -13.935 12.576 -7.887 1.00 0.00 H new ATOM 117 N PHE A 8 -9.632 10.767 -4.914 1.00 0.00 N ATOM 118 CA PHE A 8 -9.057 10.647 -3.570 1.00 0.00 C ATOM 119 C PHE A 8 -7.612 10.129 -3.564 1.00 0.00 C ATOM 120 O PHE A 8 -6.780 10.616 -2.797 1.00 0.00 O ATOM 121 CB PHE A 8 -9.940 9.731 -2.715 1.00 0.00 C ATOM 122 CG PHE A 8 -11.254 10.353 -2.337 1.00 0.00 C ATOM 123 CD1 PHE A 8 -11.352 11.177 -1.227 1.00 0.00 C ATOM 124 CD2 PHE A 8 -12.389 10.119 -3.094 1.00 0.00 C ATOM 125 CE1 PHE A 8 -12.557 11.756 -0.882 1.00 0.00 C ATOM 126 CE2 PHE A 8 -13.597 10.693 -2.755 1.00 0.00 C ATOM 127 CZ PHE A 8 -13.682 11.513 -1.647 1.00 0.00 C ATOM 0 H PHE A 8 -9.641 9.902 -5.455 1.00 0.00 H new ATOM 0 HA PHE A 8 -9.025 11.653 -3.152 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -10.128 8.806 -3.261 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -9.400 9.461 -1.808 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -10.476 11.368 -0.625 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -12.328 9.479 -3.962 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -12.620 12.398 -0.016 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -14.474 10.501 -3.355 1.00 0.00 H new ATOM 0 HZ PHE A 8 -14.626 11.964 -1.379 1.00 0.00 H new ATOM 137 N LEU A 9 -7.319 9.148 -4.415 1.00 0.00 N ATOM 138 CA LEU A 9 -5.983 8.539 -4.469 1.00 0.00 C ATOM 139 C LEU A 9 -4.869 9.488 -4.960 1.00 0.00 C ATOM 140 O LEU A 9 -3.815 9.556 -4.329 1.00 0.00 O ATOM 141 CB LEU A 9 -6.007 7.268 -5.327 1.00 0.00 C ATOM 142 CG LEU A 9 -6.189 5.958 -4.549 1.00 0.00 C ATOM 143 CD1 LEU A 9 -7.661 5.689 -4.278 1.00 0.00 C ATOM 144 CD2 LEU A 9 -5.574 4.793 -5.311 1.00 0.00 C ATOM 0 H LEU A 9 -7.986 8.755 -5.079 1.00 0.00 H new ATOM 0 HA LEU A 9 -5.733 8.293 -3.437 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -6.814 7.355 -6.054 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -5.075 7.211 -5.890 1.00 0.00 H new ATOM 0 HG LEU A 9 -5.676 6.060 -3.593 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -7.765 4.755 -3.725 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -8.078 6.507 -3.690 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -8.197 5.612 -5.224 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -5.713 3.873 -4.743 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.059 4.697 -6.282 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -4.509 4.974 -5.454 1.00 0.00 H new ATOM 156 N PRO A 10 -5.050 10.217 -6.089 1.00 0.00 N ATOM 157 CA PRO A 10 -4.013 11.131 -6.611 1.00 0.00 C ATOM 158 C PRO A 10 -3.679 12.294 -5.669 1.00 0.00 C ATOM 159 O PRO A 10 -2.667 12.972 -5.851 1.00 0.00 O ATOM 160 CB PRO A 10 -4.621 11.663 -7.918 1.00 0.00 C ATOM 161 CG PRO A 10 -5.694 10.696 -8.267 1.00 0.00 C ATOM 162 CD PRO A 10 -6.238 10.207 -6.958 1.00 0.00 C ATOM 0 HA PRO A 10 -3.065 10.607 -6.737 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -5.023 12.667 -7.786 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -3.871 11.721 -8.707 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -6.473 11.173 -8.862 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -5.300 9.871 -8.861 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -7.024 10.859 -6.577 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -6.667 9.209 -7.046 1.00 0.00 H new ATOM 170 N GLU A 11 -4.522 12.519 -4.663 1.00 0.00 N ATOM 171 CA GLU A 11 -4.305 13.603 -3.707 1.00 0.00 C ATOM 172 C GLU A 11 -3.430 13.147 -2.536 1.00 0.00 C ATOM 173 O GLU A 11 -2.522 13.862 -2.112 1.00 0.00 O ATOM 174 CB GLU A 11 -5.647 14.119 -3.192 1.00 0.00 C ATOM 175 CG GLU A 11 -6.373 15.022 -4.179 1.00 0.00 C ATOM 176 CD GLU A 11 -7.490 15.811 -3.527 1.00 0.00 C ATOM 177 OE1 GLU A 11 -8.595 15.254 -3.370 1.00 0.00 O ATOM 178 OE2 GLU A 11 -7.256 16.984 -3.165 1.00 0.00 O ATOM 0 H GLU A 11 -5.361 11.966 -4.489 1.00 0.00 H new ATOM 0 HA GLU A 11 -3.781 14.409 -4.221 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -6.286 13.269 -2.953 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -5.484 14.667 -2.264 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -5.659 15.712 -4.629 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -6.783 14.416 -4.987 1.00 0.00 H new ATOM 185 N ILE A 12 -3.711 11.952 -2.020 1.00 0.00 N ATOM 186 CA ILE A 12 -2.952 11.391 -0.900 1.00 0.00 C ATOM 187 C ILE A 12 -1.577 10.900 -1.350 1.00 0.00 C ATOM 188 O ILE A 12 -0.638 10.863 -0.558 1.00 0.00 O ATOM 189 CB ILE A 12 -3.705 10.233 -0.200 1.00 0.00 C ATOM 190 CG1 ILE A 12 -4.284 9.251 -1.221 1.00 0.00 C ATOM 191 CG2 ILE A 12 -4.812 10.782 0.686 1.00 0.00 C ATOM 192 CD1 ILE A 12 -3.466 7.987 -1.386 1.00 0.00 C ATOM 0 H ILE A 12 -4.461 11.350 -2.360 1.00 0.00 H new ATOM 0 HA ILE A 12 -2.828 12.202 -0.182 1.00 0.00 H new ATOM 0 HB ILE A 12 -2.989 9.693 0.420 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -5.296 8.981 -0.918 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -4.363 9.750 -2.187 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -5.333 9.957 1.171 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -4.381 11.435 1.445 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -5.517 11.348 0.078 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -3.939 7.341 -2.126 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -2.461 8.245 -1.720 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -3.408 7.464 -0.431 1.00 0.00 H new ATOM 204 N LEU A 13 -1.497 10.486 -2.618 1.00 0.00 N ATOM 205 CA LEU A 13 -0.266 9.963 -3.223 1.00 0.00 C ATOM 206 C LEU A 13 0.981 10.787 -2.880 1.00 0.00 C ATOM 207 O LEU A 13 2.033 10.226 -2.597 1.00 0.00 O ATOM 208 CB LEU A 13 -0.429 9.897 -4.742 1.00 0.00 C ATOM 209 CG LEU A 13 0.489 8.901 -5.449 1.00 0.00 C ATOM 210 CD1 LEU A 13 -0.175 7.539 -5.535 1.00 0.00 C ATOM 211 CD2 LEU A 13 0.856 9.404 -6.836 1.00 0.00 C ATOM 0 H LEU A 13 -2.290 10.504 -3.259 1.00 0.00 H new ATOM 0 HA LEU A 13 -0.112 8.968 -2.805 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -1.463 9.640 -4.970 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -0.249 10.890 -5.155 1.00 0.00 H new ATOM 0 HG LEU A 13 1.405 8.803 -4.867 1.00 0.00 H new ATOM 0 HD11 LEU A 13 0.491 6.841 -6.041 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -0.388 7.174 -4.530 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -1.106 7.623 -6.095 1.00 0.00 H new ATOM 0 HD21 LEU A 13 1.510 8.681 -7.324 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -0.050 9.531 -7.428 1.00 0.00 H new ATOM 0 HD23 LEU A 13 1.371 10.361 -6.751 1.00 0.00 H new ATOM 223 N ALA A 14 0.862 12.110 -2.904 1.00 0.00 N ATOM 224 CA ALA A 14 1.994 12.989 -2.606 1.00 0.00 C ATOM 225 C ALA A 14 2.468 12.838 -1.160 1.00 0.00 C ATOM 226 O ALA A 14 3.668 12.806 -0.891 1.00 0.00 O ATOM 227 CB ALA A 14 1.617 14.434 -2.893 1.00 0.00 C ATOM 0 H ALA A 14 -0.005 12.600 -3.126 1.00 0.00 H new ATOM 0 HA ALA A 14 2.823 12.697 -3.251 1.00 0.00 H new ATOM 0 HB1 ALA A 14 2.464 15.082 -2.669 1.00 0.00 H new ATOM 0 HB2 ALA A 14 1.348 14.538 -3.944 1.00 0.00 H new ATOM 0 HB3 ALA A 14 0.768 14.719 -2.272 1.00 0.00 H new ATOM 233 N GLU A 15 1.515 12.738 -0.236 1.00 0.00 N ATOM 234 CA GLU A 15 1.820 12.607 1.189 1.00 0.00 C ATOM 235 C GLU A 15 2.320 11.208 1.572 1.00 0.00 C ATOM 236 O GLU A 15 2.842 11.021 2.669 1.00 0.00 O ATOM 237 CB GLU A 15 0.579 12.938 2.021 1.00 0.00 C ATOM 238 CG GLU A 15 0.240 14.418 2.070 1.00 0.00 C ATOM 239 CD GLU A 15 -0.983 14.698 2.923 1.00 0.00 C ATOM 240 OE1 GLU A 15 -2.103 14.678 2.375 1.00 0.00 O ATOM 241 OE2 GLU A 15 -0.818 14.931 4.139 1.00 0.00 O ATOM 0 H GLU A 15 0.518 12.745 -0.450 1.00 0.00 H new ATOM 0 HA GLU A 15 2.625 13.311 1.399 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -0.274 12.395 1.614 1.00 0.00 H new ATOM 0 HB3 GLU A 15 0.730 12.577 3.038 1.00 0.00 H new ATOM 0 HG2 GLU A 15 1.092 14.971 2.466 1.00 0.00 H new ATOM 0 HG3 GLU A 15 0.066 14.783 1.058 1.00 0.00 H new ATOM 248 N ILE A 16 2.167 10.224 0.685 1.00 0.00 N ATOM 249 CA ILE A 16 2.601 8.861 1.002 1.00 0.00 C ATOM 250 C ILE A 16 4.015 8.560 0.502 1.00 0.00 C ATOM 251 O ILE A 16 4.728 7.777 1.118 1.00 0.00 O ATOM 252 CB ILE A 16 1.614 7.790 0.463 1.00 0.00 C ATOM 253 CG1 ILE A 16 1.883 6.439 1.128 1.00 0.00 C ATOM 254 CG2 ILE A 16 1.710 7.658 -1.047 1.00 0.00 C ATOM 255 CD1 ILE A 16 0.637 5.610 1.353 1.00 0.00 C ATOM 0 H ILE A 16 1.755 10.339 -0.241 1.00 0.00 H new ATOM 0 HA ILE A 16 2.610 8.807 2.091 1.00 0.00 H new ATOM 0 HB ILE A 16 0.603 8.114 0.709 1.00 0.00 H new ATOM 0 HG12 ILE A 16 2.578 5.872 0.509 1.00 0.00 H new ATOM 0 HG13 ILE A 16 2.374 6.608 2.086 1.00 0.00 H new ATOM 0 HG21 ILE A 16 1.006 6.900 -1.391 1.00 0.00 H new ATOM 0 HG22 ILE A 16 1.470 8.614 -1.512 1.00 0.00 H new ATOM 0 HG23 ILE A 16 2.723 7.365 -1.323 1.00 0.00 H new ATOM 0 HD11 ILE A 16 0.908 4.667 1.828 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -0.052 6.156 1.998 1.00 0.00 H new ATOM 0 HD13 ILE A 16 0.156 5.409 0.396 1.00 0.00 H new ATOM 267 N ILE A 17 4.436 9.185 -0.595 1.00 0.00 N ATOM 268 CA ILE A 17 5.775 8.939 -1.130 1.00 0.00 C ATOM 269 C ILE A 17 6.858 9.494 -0.201 1.00 0.00 C ATOM 270 O ILE A 17 7.950 8.932 -0.098 1.00 0.00 O ATOM 271 CB ILE A 17 5.957 9.541 -2.542 1.00 0.00 C ATOM 272 CG1 ILE A 17 4.823 9.096 -3.465 1.00 0.00 C ATOM 273 CG2 ILE A 17 7.300 9.129 -3.131 1.00 0.00 C ATOM 274 CD1 ILE A 17 4.581 10.032 -4.631 1.00 0.00 C ATOM 0 H ILE A 17 3.880 9.856 -1.125 1.00 0.00 H new ATOM 0 HA ILE A 17 5.881 7.856 -1.199 1.00 0.00 H new ATOM 0 HB ILE A 17 5.932 10.627 -2.454 1.00 0.00 H new ATOM 0 HG12 ILE A 17 5.049 8.102 -3.850 1.00 0.00 H new ATOM 0 HG13 ILE A 17 3.905 9.011 -2.883 1.00 0.00 H new ATOM 0 HG21 ILE A 17 7.410 9.562 -4.125 1.00 0.00 H new ATOM 0 HG22 ILE A 17 8.104 9.487 -2.488 1.00 0.00 H new ATOM 0 HG23 ILE A 17 7.348 8.042 -3.202 1.00 0.00 H new ATOM 0 HD11 ILE A 17 3.762 9.650 -5.240 1.00 0.00 H new ATOM 0 HD12 ILE A 17 4.322 11.022 -4.255 1.00 0.00 H new ATOM 0 HD13 ILE A 17 5.484 10.099 -5.238 1.00 0.00 H new ATOM 286 N ALA A 18 6.541 10.578 0.498 1.00 0.00 N ATOM 287 CA ALA A 18 7.492 11.217 1.401 1.00 0.00 C ATOM 288 C ALA A 18 7.428 10.652 2.822 1.00 0.00 C ATOM 289 O ALA A 18 8.307 10.926 3.637 1.00 0.00 O ATOM 290 CB ALA A 18 7.246 12.719 1.425 1.00 0.00 C ATOM 0 H ALA A 18 5.630 11.034 0.457 1.00 0.00 H new ATOM 0 HA ALA A 18 8.492 11.007 1.021 1.00 0.00 H new ATOM 0 HB1 ALA A 18 7.958 13.194 2.100 1.00 0.00 H new ATOM 0 HB2 ALA A 18 7.372 13.124 0.421 1.00 0.00 H new ATOM 0 HB3 ALA A 18 6.231 12.916 1.771 1.00 0.00 H new ATOM 296 N ASN A 19 6.391 9.870 3.124 1.00 0.00 N ATOM 297 CA ASN A 19 6.237 9.300 4.465 1.00 0.00 C ATOM 298 C ASN A 19 6.224 7.772 4.445 1.00 0.00 C ATOM 299 O ASN A 19 5.693 7.136 5.357 1.00 0.00 O ATOM 300 CB ASN A 19 4.956 9.824 5.117 1.00 0.00 C ATOM 301 CG ASN A 19 5.075 11.277 5.535 1.00 0.00 C ATOM 302 OD1 ASN A 19 5.526 11.582 6.637 1.00 0.00 O ATOM 303 ND2 ASN A 19 4.667 12.182 4.654 1.00 0.00 N ATOM 0 H ASN A 19 5.652 9.618 2.467 1.00 0.00 H new ATOM 0 HA ASN A 19 7.101 9.613 5.051 1.00 0.00 H new ATOM 0 HB2 ASN A 19 4.126 9.716 4.419 1.00 0.00 H new ATOM 0 HB3 ASN A 19 4.720 9.215 5.990 1.00 0.00 H new ATOM 0 HD21 ASN A 19 4.721 13.175 4.881 1.00 0.00 H new ATOM 0 HD22 ASN A 19 4.299 11.884 3.750 1.00 0.00 H new ATOM 310 N LEU A 20 6.800 7.183 3.405 1.00 0.00 N ATOM 311 CA LEU A 20 6.844 5.727 3.288 1.00 0.00 C ATOM 312 C LEU A 20 8.271 5.191 3.261 1.00 0.00 C ATOM 313 O LEU A 20 9.187 5.842 2.760 1.00 0.00 O ATOM 314 CB LEU A 20 6.119 5.273 2.023 1.00 0.00 C ATOM 315 CG LEU A 20 5.712 3.800 2.004 1.00 0.00 C ATOM 316 CD1 LEU A 20 4.218 3.663 2.237 1.00 0.00 C ATOM 317 CD2 LEU A 20 6.112 3.156 0.684 1.00 0.00 C ATOM 0 H LEU A 20 7.241 7.685 2.634 1.00 0.00 H new ATOM 0 HA LEU A 20 6.347 5.326 4.171 1.00 0.00 H new ATOM 0 HB2 LEU A 20 5.225 5.883 1.896 1.00 0.00 H new ATOM 0 HB3 LEU A 20 6.762 5.468 1.164 1.00 0.00 H new ATOM 0 HG LEU A 20 6.234 3.283 2.809 1.00 0.00 H new ATOM 0 HD11 LEU A 20 3.942 2.609 2.221 1.00 0.00 H new ATOM 0 HD12 LEU A 20 3.960 4.091 3.206 1.00 0.00 H new ATOM 0 HD13 LEU A 20 3.677 4.191 1.452 1.00 0.00 H new ATOM 0 HD21 LEU A 20 5.815 2.107 0.686 1.00 0.00 H new ATOM 0 HD22 LEU A 20 5.615 3.672 -0.138 1.00 0.00 H new ATOM 0 HD23 LEU A 20 7.192 3.227 0.557 1.00 0.00 H new ATOM 329 N ASP A 21 8.439 3.985 3.801 1.00 0.00 N ATOM 330 CA ASP A 21 9.735 3.315 3.833 1.00 0.00 C ATOM 331 C ASP A 21 9.588 1.885 3.314 1.00 0.00 C ATOM 332 O ASP A 21 9.246 0.978 4.071 1.00 0.00 O ATOM 333 CB ASP A 21 10.303 3.301 5.256 1.00 0.00 C ATOM 334 CG ASP A 21 10.865 4.645 5.673 1.00 0.00 C ATOM 335 OD1 ASP A 21 10.079 5.503 6.132 1.00 0.00 O ATOM 336 OD2 ASP A 21 12.091 4.842 5.543 1.00 0.00 O ATOM 0 H ASP A 21 7.683 3.448 4.226 1.00 0.00 H new ATOM 0 HA ASP A 21 10.427 3.863 3.193 1.00 0.00 H new ATOM 0 HB2 ASP A 21 9.518 3.007 5.953 1.00 0.00 H new ATOM 0 HB3 ASP A 21 11.087 2.547 5.323 1.00 0.00 H new ATOM 341 N PRO A 22 9.851 1.673 2.009 1.00 0.00 N ATOM 342 CA PRO A 22 9.727 0.355 1.354 1.00 0.00 C ATOM 343 C PRO A 22 10.656 -0.721 1.922 1.00 0.00 C ATOM 344 O PRO A 22 10.417 -1.909 1.726 1.00 0.00 O ATOM 345 CB PRO A 22 10.102 0.639 -0.107 1.00 0.00 C ATOM 346 CG PRO A 22 9.961 2.111 -0.274 1.00 0.00 C ATOM 347 CD PRO A 22 10.288 2.711 1.059 1.00 0.00 C ATOM 0 HA PRO A 22 8.724 -0.047 1.501 1.00 0.00 H new ATOM 0 HB2 PRO A 22 11.121 0.315 -0.321 1.00 0.00 H new ATOM 0 HB3 PRO A 22 9.446 0.102 -0.792 1.00 0.00 H new ATOM 0 HG2 PRO A 22 10.636 2.483 -1.045 1.00 0.00 H new ATOM 0 HG3 PRO A 22 8.949 2.374 -0.582 1.00 0.00 H new ATOM 0 HD2 PRO A 22 11.353 2.923 1.155 1.00 0.00 H new ATOM 0 HD3 PRO A 22 9.760 3.651 1.218 1.00 0.00 H new ATOM 355 N THR A 23 11.707 -0.309 2.615 1.00 0.00 N ATOM 356 CA THR A 23 12.671 -1.248 3.183 1.00 0.00 C ATOM 357 C THR A 23 12.146 -1.946 4.438 1.00 0.00 C ATOM 358 O THR A 23 12.246 -3.167 4.570 1.00 0.00 O ATOM 359 CB THR A 23 13.982 -0.528 3.542 1.00 0.00 C ATOM 360 OG1 THR A 23 13.690 0.752 4.121 1.00 0.00 O ATOM 361 CG2 THR A 23 14.857 -0.342 2.310 1.00 0.00 C ATOM 0 H THR A 23 11.917 0.672 2.800 1.00 0.00 H new ATOM 0 HA THR A 23 12.845 -2.003 2.416 1.00 0.00 H new ATOM 0 HB THR A 23 14.523 -1.143 4.261 1.00 0.00 H new ATOM 0 HG1 THR A 23 14.528 1.206 4.350 1.00 0.00 H new ATOM 0 HG21 THR A 23 15.778 0.169 2.591 1.00 0.00 H new ATOM 0 HG22 THR A 23 15.099 -1.316 1.885 1.00 0.00 H new ATOM 0 HG23 THR A 23 14.322 0.254 1.571 1.00 0.00 H new ATOM 369 N LYS A 24 11.582 -1.163 5.351 1.00 0.00 N ATOM 370 CA LYS A 24 11.076 -1.684 6.620 1.00 0.00 C ATOM 371 C LYS A 24 9.800 -2.513 6.469 1.00 0.00 C ATOM 372 O LYS A 24 9.567 -3.439 7.247 1.00 0.00 O ATOM 373 CB LYS A 24 10.826 -0.531 7.594 1.00 0.00 C ATOM 374 CG LYS A 24 11.140 -0.881 9.039 1.00 0.00 C ATOM 375 CD LYS A 24 10.923 0.305 9.963 1.00 0.00 C ATOM 376 CE LYS A 24 11.211 -0.064 11.408 1.00 0.00 C ATOM 377 NZ LYS A 24 12.672 -0.162 11.667 1.00 0.00 N ATOM 0 H LYS A 24 11.462 -0.157 5.236 1.00 0.00 H new ATOM 0 HA LYS A 24 11.844 -2.353 7.009 1.00 0.00 H new ATOM 0 HB2 LYS A 24 11.432 0.324 7.296 1.00 0.00 H new ATOM 0 HB3 LYS A 24 9.783 -0.224 7.521 1.00 0.00 H new ATOM 0 HG2 LYS A 24 10.510 -1.711 9.358 1.00 0.00 H new ATOM 0 HG3 LYS A 24 12.174 -1.218 9.116 1.00 0.00 H new ATOM 0 HD2 LYS A 24 11.569 1.129 9.660 1.00 0.00 H new ATOM 0 HD3 LYS A 24 9.895 0.656 9.873 1.00 0.00 H new ATOM 0 HE2 LYS A 24 10.773 0.684 12.069 1.00 0.00 H new ATOM 0 HE3 LYS A 24 10.735 -1.016 11.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 12.832 -0.415 12.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 13.085 -0.893 11.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 13.122 0.754 11.466 1.00 0.00 H new ATOM 391 N ILE A 25 8.977 -2.196 5.477 1.00 0.00 N ATOM 392 CA ILE A 25 7.719 -2.918 5.287 1.00 0.00 C ATOM 393 C ILE A 25 7.869 -4.163 4.408 1.00 0.00 C ATOM 394 O ILE A 25 7.156 -5.146 4.607 1.00 0.00 O ATOM 395 CB ILE A 25 6.615 -2.011 4.700 1.00 0.00 C ATOM 396 CG1 ILE A 25 7.112 -1.296 3.447 1.00 0.00 C ATOM 397 CG2 ILE A 25 6.141 -1.002 5.739 1.00 0.00 C ATOM 398 CD1 ILE A 25 6.038 -1.110 2.402 1.00 0.00 C ATOM 0 H ILE A 25 9.152 -1.455 4.799 1.00 0.00 H new ATOM 0 HA ILE A 25 7.424 -3.242 6.285 1.00 0.00 H new ATOM 0 HB ILE A 25 5.770 -2.641 4.421 1.00 0.00 H new ATOM 0 HG12 ILE A 25 7.510 -0.321 3.727 1.00 0.00 H new ATOM 0 HG13 ILE A 25 7.936 -1.864 3.015 1.00 0.00 H new ATOM 0 HG21 ILE A 25 5.363 -0.372 5.306 1.00 0.00 H new ATOM 0 HG22 ILE A 25 5.740 -1.531 6.604 1.00 0.00 H new ATOM 0 HG23 ILE A 25 6.980 -0.380 6.051 1.00 0.00 H new ATOM 0 HD11 ILE A 25 6.457 -0.596 1.537 1.00 0.00 H new ATOM 0 HD12 ILE A 25 5.656 -2.084 2.095 1.00 0.00 H new ATOM 0 HD13 ILE A 25 5.224 -0.516 2.818 1.00 0.00 H new ATOM 410 N LEU A 26 8.784 -4.121 3.441 1.00 0.00 N ATOM 411 CA LEU A 26 8.989 -5.251 2.527 1.00 0.00 C ATOM 412 C LEU A 26 9.463 -6.509 3.251 1.00 0.00 C ATOM 413 O LEU A 26 9.135 -7.625 2.845 1.00 0.00 O ATOM 414 CB LEU A 26 10.000 -4.884 1.440 1.00 0.00 C ATOM 415 CG LEU A 26 9.858 -5.674 0.139 1.00 0.00 C ATOM 416 CD1 LEU A 26 8.833 -5.018 -0.768 1.00 0.00 C ATOM 417 CD2 LEU A 26 11.201 -5.789 -0.566 1.00 0.00 C ATOM 0 H LEU A 26 9.394 -3.322 3.268 1.00 0.00 H new ATOM 0 HA LEU A 26 8.020 -5.468 2.077 1.00 0.00 H new ATOM 0 HB2 LEU A 26 9.902 -3.822 1.216 1.00 0.00 H new ATOM 0 HB3 LEU A 26 11.005 -5.035 1.833 1.00 0.00 H new ATOM 0 HG LEU A 26 9.512 -6.679 0.381 1.00 0.00 H new ATOM 0 HD11 LEU A 26 8.743 -5.592 -1.690 1.00 0.00 H new ATOM 0 HD12 LEU A 26 7.867 -4.988 -0.264 1.00 0.00 H new ATOM 0 HD13 LEU A 26 9.152 -4.002 -1.002 1.00 0.00 H new ATOM 0 HD21 LEU A 26 11.080 -6.355 -1.490 1.00 0.00 H new ATOM 0 HD22 LEU A 26 11.577 -4.792 -0.797 1.00 0.00 H new ATOM 0 HD23 LEU A 26 11.910 -6.303 0.083 1.00 0.00 H new ATOM 429 N GLU A 27 10.225 -6.325 4.324 1.00 0.00 N ATOM 430 CA GLU A 27 10.761 -7.446 5.090 1.00 0.00 C ATOM 431 C GLU A 27 9.669 -8.190 5.859 1.00 0.00 C ATOM 432 O GLU A 27 9.622 -9.422 5.847 1.00 0.00 O ATOM 433 CB GLU A 27 11.826 -6.944 6.062 1.00 0.00 C ATOM 434 CG GLU A 27 13.138 -6.577 5.390 1.00 0.00 C ATOM 435 CD GLU A 27 14.180 -6.101 6.381 1.00 0.00 C ATOM 436 OE1 GLU A 27 14.211 -4.886 6.673 1.00 0.00 O ATOM 437 OE2 GLU A 27 14.963 -6.943 6.869 1.00 0.00 O ATOM 0 H GLU A 27 10.486 -5.407 4.684 1.00 0.00 H new ATOM 0 HA GLU A 27 11.203 -8.148 4.383 1.00 0.00 H new ATOM 0 HB2 GLU A 27 11.442 -6.072 6.590 1.00 0.00 H new ATOM 0 HB3 GLU A 27 12.014 -7.713 6.811 1.00 0.00 H new ATOM 0 HG2 GLU A 27 13.522 -7.443 4.851 1.00 0.00 H new ATOM 0 HG3 GLU A 27 12.959 -5.796 4.651 1.00 0.00 H new ATOM 444 N GLU A 28 8.792 -7.438 6.520 1.00 0.00 N ATOM 445 CA GLU A 28 7.711 -8.024 7.310 1.00 0.00 C ATOM 446 C GLU A 28 6.584 -8.559 6.429 1.00 0.00 C ATOM 447 O GLU A 28 5.823 -9.434 6.847 1.00 0.00 O ATOM 448 CB GLU A 28 7.161 -6.988 8.290 1.00 0.00 C ATOM 449 CG GLU A 28 8.121 -6.664 9.424 1.00 0.00 C ATOM 450 CD GLU A 28 7.989 -7.621 10.592 1.00 0.00 C ATOM 451 OE1 GLU A 28 8.653 -8.679 10.573 1.00 0.00 O ATOM 452 OE2 GLU A 28 7.223 -7.310 11.529 1.00 0.00 O ATOM 0 H GLU A 28 8.809 -6.418 6.524 1.00 0.00 H new ATOM 0 HA GLU A 28 8.126 -8.868 7.862 1.00 0.00 H new ATOM 0 HB2 GLU A 28 6.929 -6.072 7.747 1.00 0.00 H new ATOM 0 HB3 GLU A 28 6.225 -7.356 8.710 1.00 0.00 H new ATOM 0 HG2 GLU A 28 9.144 -6.694 9.049 1.00 0.00 H new ATOM 0 HG3 GLU A 28 7.938 -5.647 9.770 1.00 0.00 H new ATOM 459 N LEU A 29 6.480 -8.032 5.214 1.00 0.00 N ATOM 460 CA LEU A 29 5.443 -8.459 4.282 1.00 0.00 C ATOM 461 C LEU A 29 5.762 -9.832 3.699 1.00 0.00 C ATOM 462 O LEU A 29 4.899 -10.709 3.641 1.00 0.00 O ATOM 463 CB LEU A 29 5.301 -7.443 3.149 1.00 0.00 C ATOM 464 CG LEU A 29 3.878 -7.258 2.623 1.00 0.00 C ATOM 465 CD1 LEU A 29 3.117 -6.268 3.490 1.00 0.00 C ATOM 466 CD2 LEU A 29 3.900 -6.793 1.174 1.00 0.00 C ATOM 0 H LEU A 29 7.101 -7.309 4.852 1.00 0.00 H new ATOM 0 HA LEU A 29 4.504 -8.524 4.832 1.00 0.00 H new ATOM 0 HB2 LEU A 29 5.672 -6.479 3.497 1.00 0.00 H new ATOM 0 HB3 LEU A 29 5.941 -7.751 2.322 1.00 0.00 H new ATOM 0 HG LEU A 29 3.366 -8.219 2.666 1.00 0.00 H new ATOM 0 HD11 LEU A 29 2.105 -6.147 3.102 1.00 0.00 H new ATOM 0 HD12 LEU A 29 3.071 -6.641 4.513 1.00 0.00 H new ATOM 0 HD13 LEU A 29 3.628 -5.305 3.477 1.00 0.00 H new ATOM 0 HD21 LEU A 29 2.878 -6.667 0.817 1.00 0.00 H new ATOM 0 HD22 LEU A 29 4.429 -5.842 1.105 1.00 0.00 H new ATOM 0 HD23 LEU A 29 4.409 -7.537 0.561 1.00 0.00 H new ATOM 478 N LEU A 30 7.010 -10.007 3.276 1.00 0.00 N ATOM 479 CA LEU A 30 7.460 -11.261 2.683 1.00 0.00 C ATOM 480 C LEU A 30 7.569 -12.375 3.721 1.00 0.00 C ATOM 481 O LEU A 30 7.383 -13.548 3.397 1.00 0.00 O ATOM 482 CB LEU A 30 8.810 -11.064 1.997 1.00 0.00 C ATOM 483 CG LEU A 30 8.733 -10.634 0.535 1.00 0.00 C ATOM 484 CD1 LEU A 30 9.939 -9.787 0.166 1.00 0.00 C ATOM 485 CD2 LEU A 30 8.633 -11.850 -0.373 1.00 0.00 C ATOM 0 H LEU A 30 7.733 -9.290 3.334 1.00 0.00 H new ATOM 0 HA LEU A 30 6.713 -11.560 1.947 1.00 0.00 H new ATOM 0 HB2 LEU A 30 9.376 -10.315 2.551 1.00 0.00 H new ATOM 0 HB3 LEU A 30 9.371 -11.997 2.057 1.00 0.00 H new ATOM 0 HG LEU A 30 7.836 -10.030 0.399 1.00 0.00 H new ATOM 0 HD11 LEU A 30 9.868 -9.489 -0.880 1.00 0.00 H new ATOM 0 HD12 LEU A 30 9.965 -8.898 0.796 1.00 0.00 H new ATOM 0 HD13 LEU A 30 10.850 -10.366 0.317 1.00 0.00 H new ATOM 0 HD21 LEU A 30 8.579 -11.525 -1.412 1.00 0.00 H new ATOM 0 HD22 LEU A 30 9.512 -12.480 -0.235 1.00 0.00 H new ATOM 0 HD23 LEU A 30 7.737 -12.418 -0.123 1.00 0.00 H new ATOM 497 N ARG A 31 7.876 -12.003 4.964 1.00 0.00 N ATOM 498 CA ARG A 31 8.028 -12.976 6.046 1.00 0.00 C ATOM 499 C ARG A 31 6.725 -13.721 6.329 1.00 0.00 C ATOM 500 O ARG A 31 6.743 -14.869 6.772 1.00 0.00 O ATOM 501 CB ARG A 31 8.507 -12.285 7.321 1.00 0.00 C ATOM 502 CG ARG A 31 9.459 -13.136 8.141 1.00 0.00 C ATOM 503 CD ARG A 31 10.898 -12.934 7.704 1.00 0.00 C ATOM 504 NE ARG A 31 11.831 -13.708 8.518 1.00 0.00 N ATOM 505 CZ ARG A 31 13.148 -13.684 8.350 1.00 0.00 C ATOM 506 NH1 ARG A 31 13.683 -12.928 7.400 1.00 0.00 N ATOM 507 NH2 ARG A 31 13.932 -14.413 9.132 1.00 0.00 N ATOM 0 H ARG A 31 8.024 -11.034 5.247 1.00 0.00 H new ATOM 0 HA ARG A 31 8.772 -13.704 5.722 1.00 0.00 H new ATOM 0 HB2 ARG A 31 9.002 -11.351 7.056 1.00 0.00 H new ATOM 0 HB3 ARG A 31 7.643 -12.026 7.933 1.00 0.00 H new ATOM 0 HG2 ARG A 31 9.359 -12.883 9.196 1.00 0.00 H new ATOM 0 HG3 ARG A 31 9.190 -14.187 8.038 1.00 0.00 H new ATOM 0 HD2 ARG A 31 11.003 -13.223 6.658 1.00 0.00 H new ATOM 0 HD3 ARG A 31 11.152 -11.876 7.769 1.00 0.00 H new ATOM 0 HE ARG A 31 11.450 -14.300 9.256 1.00 0.00 H new ATOM 0 HH11 ARG A 31 13.083 -12.365 6.798 1.00 0.00 H new ATOM 0 HH12 ARG A 31 14.695 -12.910 7.272 1.00 0.00 H new ATOM 0 HH21 ARG A 31 13.524 -14.994 9.864 1.00 0.00 H new ATOM 0 HH22 ARG A 31 14.943 -14.393 9.001 1.00 0.00 H new ATOM 521 N ARG A 32 5.598 -13.067 6.074 1.00 0.00 N ATOM 522 CA ARG A 32 4.295 -13.679 6.310 1.00 0.00 C ATOM 523 C ARG A 32 3.785 -14.399 5.066 1.00 0.00 C ATOM 524 O ARG A 32 2.824 -15.165 5.133 1.00 0.00 O ATOM 525 CB ARG A 32 3.290 -12.616 6.753 1.00 0.00 C ATOM 526 CG ARG A 32 3.624 -11.997 8.101 1.00 0.00 C ATOM 527 CD ARG A 32 2.398 -11.367 8.743 1.00 0.00 C ATOM 528 NE ARG A 32 2.706 -10.768 10.038 1.00 0.00 N ATOM 529 CZ ARG A 32 1.780 -10.377 10.910 1.00 0.00 C ATOM 530 NH1 ARG A 32 0.491 -10.529 10.629 1.00 0.00 N ATOM 531 NH2 ARG A 32 2.142 -9.841 12.065 1.00 0.00 N ATOM 0 H ARG A 32 5.559 -12.117 5.705 1.00 0.00 H new ATOM 0 HA ARG A 32 4.409 -14.419 7.102 1.00 0.00 H new ATOM 0 HB2 ARG A 32 3.248 -11.829 6.000 1.00 0.00 H new ATOM 0 HB3 ARG A 32 2.297 -13.063 6.802 1.00 0.00 H new ATOM 0 HG2 ARG A 32 4.031 -12.761 8.763 1.00 0.00 H new ATOM 0 HG3 ARG A 32 4.399 -11.241 7.974 1.00 0.00 H new ATOM 0 HD2 ARG A 32 1.992 -10.605 8.078 1.00 0.00 H new ATOM 0 HD3 ARG A 32 1.625 -12.125 8.869 1.00 0.00 H new ATOM 0 HE ARG A 32 3.687 -10.642 10.289 1.00 0.00 H new ATOM 0 HH11 ARG A 32 0.208 -10.947 9.742 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -0.216 -10.228 11.300 1.00 0.00 H new ATOM 0 HH21 ARG A 32 3.131 -9.728 12.287 1.00 0.00 H new ATOM 0 HH22 ARG A 32 1.432 -9.541 12.733 1.00 0.00 H new ATOM 545 N GLY A 33 4.438 -14.153 3.933 1.00 0.00 N ATOM 546 CA GLY A 33 4.041 -14.788 2.690 1.00 0.00 C ATOM 547 C GLY A 33 2.909 -14.054 1.996 1.00 0.00 C ATOM 548 O GLY A 33 2.023 -14.680 1.416 1.00 0.00 O ATOM 0 H GLY A 33 5.237 -13.523 3.855 1.00 0.00 H new ATOM 0 HA2 GLY A 33 4.900 -14.838 2.021 1.00 0.00 H new ATOM 0 HA3 GLY A 33 3.734 -15.814 2.892 1.00 0.00 H new ATOM 552 N LEU A 34 2.938 -12.724 2.055 1.00 0.00 N ATOM 553 CA LEU A 34 1.903 -11.906 1.424 1.00 0.00 C ATOM 554 C LEU A 34 2.366 -11.364 0.075 1.00 0.00 C ATOM 555 O LEU A 34 1.583 -10.778 -0.670 1.00 0.00 O ATOM 556 CB LEU A 34 1.520 -10.739 2.340 1.00 0.00 C ATOM 557 CG LEU A 34 0.165 -10.089 2.037 1.00 0.00 C ATOM 558 CD1 LEU A 34 -0.582 -9.784 3.326 1.00 0.00 C ATOM 559 CD2 LEU A 34 0.353 -8.821 1.213 1.00 0.00 C ATOM 0 H LEU A 34 3.665 -12.190 2.532 1.00 0.00 H new ATOM 0 HA LEU A 34 1.034 -12.543 1.258 1.00 0.00 H new ATOM 0 HB2 LEU A 34 1.512 -11.094 3.370 1.00 0.00 H new ATOM 0 HB3 LEU A 34 2.295 -9.975 2.272 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.431 -10.792 1.454 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -1.541 -9.323 3.090 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.750 -10.709 3.877 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.009 -9.101 3.936 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -0.619 -8.373 1.007 1.00 0.00 H new ATOM 0 HD22 LEU A 34 0.968 -8.114 1.769 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.845 -9.068 0.272 1.00 0.00 H new ATOM 571 N LEU A 35 3.621 -11.597 -0.263 1.00 0.00 N ATOM 572 CA LEU A 35 4.151 -11.080 -1.512 1.00 0.00 C ATOM 573 C LEU A 35 4.408 -12.207 -2.509 1.00 0.00 C ATOM 574 O LEU A 35 4.971 -13.245 -2.157 1.00 0.00 O ATOM 575 CB LEU A 35 5.448 -10.312 -1.253 1.00 0.00 C ATOM 576 CG LEU A 35 5.524 -8.929 -1.901 1.00 0.00 C ATOM 577 CD1 LEU A 35 6.631 -8.099 -1.271 1.00 0.00 C ATOM 578 CD2 LEU A 35 5.744 -9.059 -3.398 1.00 0.00 C ATOM 0 H LEU A 35 4.283 -12.132 0.299 1.00 0.00 H new ATOM 0 HA LEU A 35 3.409 -10.406 -1.941 1.00 0.00 H new ATOM 0 HB2 LEU A 35 5.576 -10.199 -0.176 1.00 0.00 H new ATOM 0 HB3 LEU A 35 6.285 -10.911 -1.613 1.00 0.00 H new ATOM 0 HG LEU A 35 4.576 -8.418 -1.731 1.00 0.00 H new ATOM 0 HD11 LEU A 35 6.667 -7.119 -1.747 1.00 0.00 H new ATOM 0 HD12 LEU A 35 6.434 -7.978 -0.206 1.00 0.00 H new ATOM 0 HD13 LEU A 35 7.587 -8.604 -1.408 1.00 0.00 H new ATOM 0 HD21 LEU A 35 5.796 -8.067 -3.846 1.00 0.00 H new ATOM 0 HD22 LEU A 35 6.677 -9.590 -3.584 1.00 0.00 H new ATOM 0 HD23 LEU A 35 4.917 -9.614 -3.841 1.00 0.00 H new ATOM 590 N THR A 36 3.985 -11.997 -3.757 1.00 0.00 N ATOM 591 CA THR A 36 4.172 -12.991 -4.810 1.00 0.00 C ATOM 592 C THR A 36 5.408 -12.675 -5.646 1.00 0.00 C ATOM 593 O THR A 36 5.749 -11.515 -5.835 1.00 0.00 O ATOM 594 CB THR A 36 2.944 -13.061 -5.737 1.00 0.00 C ATOM 595 OG1 THR A 36 2.530 -11.740 -6.102 1.00 0.00 O ATOM 596 CG2 THR A 36 1.794 -13.783 -5.053 1.00 0.00 C ATOM 0 H THR A 36 3.511 -11.147 -4.061 1.00 0.00 H new ATOM 0 HA THR A 36 4.304 -13.955 -4.319 1.00 0.00 H new ATOM 0 HB THR A 36 3.223 -13.616 -6.633 1.00 0.00 H new ATOM 0 HG1 THR A 36 1.558 -11.724 -6.224 1.00 0.00 H new ATOM 0 HG21 THR A 36 0.937 -13.821 -5.725 1.00 0.00 H new ATOM 0 HG22 THR A 36 2.101 -14.797 -4.799 1.00 0.00 H new ATOM 0 HG23 THR A 36 1.518 -13.249 -4.144 1.00 0.00 H new ATOM 604 N PRO A 37 6.090 -13.714 -6.156 1.00 0.00 N ATOM 605 CA PRO A 37 7.306 -13.556 -6.974 1.00 0.00 C ATOM 606 C PRO A 37 7.067 -12.820 -8.298 1.00 0.00 C ATOM 607 O PRO A 37 7.919 -12.054 -8.745 1.00 0.00 O ATOM 608 CB PRO A 37 7.752 -15.001 -7.236 1.00 0.00 C ATOM 609 CG PRO A 37 6.535 -15.832 -7.017 1.00 0.00 C ATOM 610 CD PRO A 37 5.738 -15.130 -5.958 1.00 0.00 C ATOM 0 HA PRO A 37 8.047 -12.945 -6.459 1.00 0.00 H new ATOM 0 HB2 PRO A 37 8.131 -15.118 -8.251 1.00 0.00 H new ATOM 0 HB3 PRO A 37 8.555 -15.294 -6.560 1.00 0.00 H new ATOM 0 HG2 PRO A 37 5.959 -15.930 -7.937 1.00 0.00 H new ATOM 0 HG3 PRO A 37 6.803 -16.840 -6.699 1.00 0.00 H new ATOM 0 HD2 PRO A 37 4.668 -15.300 -6.080 1.00 0.00 H new ATOM 0 HD3 PRO A 37 6.004 -15.475 -4.959 1.00 0.00 H new ATOM 618 N ALA A 38 5.907 -13.055 -8.915 1.00 0.00 N ATOM 619 CA ALA A 38 5.560 -12.416 -10.184 1.00 0.00 C ATOM 620 C ALA A 38 5.354 -10.914 -10.010 1.00 0.00 C ATOM 621 O ALA A 38 5.827 -10.112 -10.817 1.00 0.00 O ATOM 622 CB ALA A 38 4.307 -13.056 -10.762 1.00 0.00 C ATOM 0 H ALA A 38 5.191 -13.685 -8.554 1.00 0.00 H new ATOM 0 HA ALA A 38 6.390 -12.562 -10.876 1.00 0.00 H new ATOM 0 HB1 ALA A 38 4.055 -12.574 -11.707 1.00 0.00 H new ATOM 0 HB2 ALA A 38 4.486 -14.118 -10.932 1.00 0.00 H new ATOM 0 HB3 ALA A 38 3.481 -12.935 -10.062 1.00 0.00 H new ATOM 628 N GLU A 39 4.646 -10.547 -8.947 1.00 0.00 N ATOM 629 CA GLU A 39 4.368 -9.147 -8.643 1.00 0.00 C ATOM 630 C GLU A 39 5.608 -8.468 -8.065 1.00 0.00 C ATOM 631 O GLU A 39 5.829 -7.270 -8.266 1.00 0.00 O ATOM 632 CB GLU A 39 3.196 -9.055 -7.663 1.00 0.00 C ATOM 633 CG GLU A 39 1.837 -9.242 -8.322 1.00 0.00 C ATOM 634 CD GLU A 39 0.688 -9.031 -7.356 1.00 0.00 C ATOM 635 OE1 GLU A 39 0.369 -7.860 -7.058 1.00 0.00 O ATOM 636 OE2 GLU A 39 0.109 -10.038 -6.897 1.00 0.00 O ATOM 0 H GLU A 39 4.251 -11.206 -8.276 1.00 0.00 H new ATOM 0 HA GLU A 39 4.099 -8.630 -9.564 1.00 0.00 H new ATOM 0 HB2 GLU A 39 3.322 -9.810 -6.887 1.00 0.00 H new ATOM 0 HB3 GLU A 39 3.221 -8.083 -7.169 1.00 0.00 H new ATOM 0 HG2 GLU A 39 1.741 -8.544 -9.153 1.00 0.00 H new ATOM 0 HG3 GLU A 39 1.775 -10.246 -8.741 1.00 0.00 H new ATOM 643 N LEU A 40 6.402 -9.249 -7.334 1.00 0.00 N ATOM 644 CA LEU A 40 7.634 -8.766 -6.717 1.00 0.00 C ATOM 645 C LEU A 40 8.591 -8.210 -7.767 1.00 0.00 C ATOM 646 O LEU A 40 9.095 -7.100 -7.629 1.00 0.00 O ATOM 647 CB LEU A 40 8.314 -9.911 -5.952 1.00 0.00 C ATOM 648 CG LEU A 40 9.180 -9.496 -4.756 1.00 0.00 C ATOM 649 CD1 LEU A 40 9.330 -10.654 -3.779 1.00 0.00 C ATOM 650 CD2 LEU A 40 10.547 -9.019 -5.219 1.00 0.00 C ATOM 0 H LEU A 40 6.208 -10.234 -7.153 1.00 0.00 H new ATOM 0 HA LEU A 40 7.379 -7.963 -6.026 1.00 0.00 H new ATOM 0 HB2 LEU A 40 7.542 -10.594 -5.597 1.00 0.00 H new ATOM 0 HB3 LEU A 40 8.937 -10.469 -6.651 1.00 0.00 H new ATOM 0 HG LEU A 40 8.682 -8.671 -4.247 1.00 0.00 H new ATOM 0 HD11 LEU A 40 9.947 -10.342 -2.937 1.00 0.00 H new ATOM 0 HD12 LEU A 40 8.347 -10.954 -3.417 1.00 0.00 H new ATOM 0 HD13 LEU A 40 9.803 -11.496 -4.283 1.00 0.00 H new ATOM 0 HD21 LEU A 40 11.144 -8.730 -4.354 1.00 0.00 H new ATOM 0 HD22 LEU A 40 11.051 -9.823 -5.755 1.00 0.00 H new ATOM 0 HD23 LEU A 40 10.428 -8.161 -5.881 1.00 0.00 H new ATOM 662 N GLN A 41 8.819 -8.993 -8.822 1.00 0.00 N ATOM 663 CA GLN A 41 9.728 -8.607 -9.900 1.00 0.00 C ATOM 664 C GLN A 41 9.243 -7.371 -10.654 1.00 0.00 C ATOM 665 O GLN A 41 10.024 -6.723 -11.339 1.00 0.00 O ATOM 666 CB GLN A 41 9.904 -9.768 -10.880 1.00 0.00 C ATOM 667 CG GLN A 41 10.819 -10.866 -10.360 1.00 0.00 C ATOM 668 CD GLN A 41 12.290 -10.527 -10.505 1.00 0.00 C ATOM 669 OE1 GLN A 41 12.896 -10.776 -11.546 1.00 0.00 O ATOM 670 NE2 GLN A 41 12.875 -9.955 -9.458 1.00 0.00 N ATOM 0 H GLN A 41 8.382 -9.906 -8.952 1.00 0.00 H new ATOM 0 HA GLN A 41 10.684 -8.359 -9.439 1.00 0.00 H new ATOM 0 HB2 GLN A 41 8.927 -10.196 -11.104 1.00 0.00 H new ATOM 0 HB3 GLN A 41 10.306 -9.384 -11.818 1.00 0.00 H new ATOM 0 HG2 GLN A 41 10.596 -11.050 -9.309 1.00 0.00 H new ATOM 0 HG3 GLN A 41 10.610 -11.791 -10.897 1.00 0.00 H new ATOM 0 HE21 GLN A 41 12.336 -9.766 -8.613 1.00 0.00 H new ATOM 0 HE22 GLN A 41 13.863 -9.705 -9.499 1.00 0.00 H new ATOM 679 N GLU A 42 7.959 -7.052 -10.538 1.00 0.00 N ATOM 680 CA GLU A 42 7.405 -5.895 -11.226 1.00 0.00 C ATOM 681 C GLU A 42 7.813 -4.589 -10.541 1.00 0.00 C ATOM 682 O GLU A 42 8.452 -3.725 -11.151 1.00 0.00 O ATOM 683 CB GLU A 42 5.881 -5.995 -11.255 1.00 0.00 C ATOM 684 CG GLU A 42 5.318 -6.610 -12.525 1.00 0.00 C ATOM 685 CD GLU A 42 3.803 -6.677 -12.509 1.00 0.00 C ATOM 686 OE1 GLU A 42 3.162 -5.690 -12.932 1.00 0.00 O ATOM 687 OE2 GLU A 42 3.257 -7.711 -12.072 1.00 0.00 O ATOM 0 H GLU A 42 7.287 -7.575 -9.977 1.00 0.00 H new ATOM 0 HA GLU A 42 7.800 -5.887 -12.242 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.551 -6.587 -10.401 1.00 0.00 H new ATOM 0 HB3 GLU A 42 5.461 -4.997 -11.132 1.00 0.00 H new ATOM 0 HG2 GLU A 42 5.645 -6.025 -13.385 1.00 0.00 H new ATOM 0 HG3 GLU A 42 5.723 -7.614 -12.650 1.00 0.00 H new ATOM 694 N VAL A 43 7.483 -4.471 -9.255 1.00 0.00 N ATOM 695 CA VAL A 43 7.787 -3.263 -8.493 1.00 0.00 C ATOM 696 C VAL A 43 9.270 -3.176 -8.129 1.00 0.00 C ATOM 697 O VAL A 43 9.816 -2.085 -7.991 1.00 0.00 O ATOM 698 CB VAL A 43 6.913 -3.157 -7.214 1.00 0.00 C ATOM 699 CG1 VAL A 43 7.151 -4.333 -6.282 1.00 0.00 C ATOM 700 CG2 VAL A 43 7.161 -1.841 -6.488 1.00 0.00 C ATOM 0 H VAL A 43 7.006 -5.197 -8.721 1.00 0.00 H new ATOM 0 HA VAL A 43 7.549 -2.420 -9.141 1.00 0.00 H new ATOM 0 HB VAL A 43 5.870 -3.183 -7.529 1.00 0.00 H new ATOM 0 HG11 VAL A 43 6.524 -4.228 -5.397 1.00 0.00 H new ATOM 0 HG12 VAL A 43 6.901 -5.261 -6.796 1.00 0.00 H new ATOM 0 HG13 VAL A 43 8.199 -4.355 -5.984 1.00 0.00 H new ATOM 0 HG21 VAL A 43 6.536 -1.794 -5.596 1.00 0.00 H new ATOM 0 HG22 VAL A 43 8.210 -1.777 -6.199 1.00 0.00 H new ATOM 0 HG23 VAL A 43 6.915 -1.009 -7.148 1.00 0.00 H new ATOM 710 N LEU A 44 9.934 -4.318 -8.002 1.00 0.00 N ATOM 711 CA LEU A 44 11.349 -4.324 -7.653 1.00 0.00 C ATOM 712 C LEU A 44 12.219 -4.001 -8.862 1.00 0.00 C ATOM 713 O LEU A 44 13.357 -3.553 -8.712 1.00 0.00 O ATOM 714 CB LEU A 44 11.746 -5.667 -7.056 1.00 0.00 C ATOM 715 CG LEU A 44 13.101 -5.682 -6.348 1.00 0.00 C ATOM 716 CD1 LEU A 44 12.947 -5.242 -4.902 1.00 0.00 C ATOM 717 CD2 LEU A 44 13.725 -7.066 -6.424 1.00 0.00 C ATOM 0 H LEU A 44 9.522 -5.242 -8.134 1.00 0.00 H new ATOM 0 HA LEU A 44 11.511 -3.547 -6.906 1.00 0.00 H new ATOM 0 HB2 LEU A 44 10.978 -5.974 -6.346 1.00 0.00 H new ATOM 0 HB3 LEU A 44 11.760 -6.412 -7.852 1.00 0.00 H new ATOM 0 HG LEU A 44 13.764 -4.979 -6.852 1.00 0.00 H new ATOM 0 HD11 LEU A 44 13.920 -5.258 -4.411 1.00 0.00 H new ATOM 0 HD12 LEU A 44 12.541 -4.231 -4.871 1.00 0.00 H new ATOM 0 HD13 LEU A 44 12.269 -5.921 -4.385 1.00 0.00 H new ATOM 0 HD21 LEU A 44 14.689 -7.059 -5.915 1.00 0.00 H new ATOM 0 HD22 LEU A 44 13.066 -7.789 -5.943 1.00 0.00 H new ATOM 0 HD23 LEU A 44 13.868 -7.344 -7.468 1.00 0.00 H new ATOM 729 N ASP A 45 11.682 -4.223 -10.060 1.00 0.00 N ATOM 730 CA ASP A 45 12.416 -3.933 -11.283 1.00 0.00 C ATOM 731 C ASP A 45 12.417 -2.439 -11.573 1.00 0.00 C ATOM 732 O ASP A 45 13.445 -1.882 -11.958 1.00 0.00 O ATOM 733 CB ASP A 45 11.820 -4.686 -12.471 1.00 0.00 C ATOM 734 CG ASP A 45 12.858 -5.007 -13.528 1.00 0.00 C ATOM 735 OD1 ASP A 45 13.544 -6.040 -13.392 1.00 0.00 O ATOM 736 OD2 ASP A 45 12.985 -4.223 -14.493 1.00 0.00 O ATOM 0 H ASP A 45 10.746 -4.601 -10.206 1.00 0.00 H new ATOM 0 HA ASP A 45 13.443 -4.266 -11.136 1.00 0.00 H new ATOM 0 HB2 ASP A 45 11.364 -5.612 -12.120 1.00 0.00 H new ATOM 0 HB3 ASP A 45 11.025 -4.088 -12.916 1.00 0.00 H new ATOM 741 N LEU A 46 11.271 -1.785 -11.379 1.00 0.00 N ATOM 742 CA LEU A 46 11.189 -0.349 -11.638 1.00 0.00 C ATOM 743 C LEU A 46 11.923 0.443 -10.565 1.00 0.00 C ATOM 744 O LEU A 46 11.872 0.113 -9.380 1.00 0.00 O ATOM 745 CB LEU A 46 9.739 0.143 -11.737 1.00 0.00 C ATOM 746 CG LEU A 46 8.733 -0.527 -10.800 1.00 0.00 C ATOM 747 CD1 LEU A 46 8.492 0.334 -9.573 1.00 0.00 C ATOM 748 CD2 LEU A 46 7.425 -0.783 -11.525 1.00 0.00 C ATOM 0 H LEU A 46 10.406 -2.215 -11.051 1.00 0.00 H new ATOM 0 HA LEU A 46 11.669 -0.182 -12.602 1.00 0.00 H new ATOM 0 HB2 LEU A 46 9.727 1.215 -11.542 1.00 0.00 H new ATOM 0 HB3 LEU A 46 9.399 0.002 -12.763 1.00 0.00 H new ATOM 0 HG LEU A 46 9.148 -1.482 -10.478 1.00 0.00 H new ATOM 0 HD11 LEU A 46 7.774 -0.159 -8.918 1.00 0.00 H new ATOM 0 HD12 LEU A 46 9.431 0.477 -9.039 1.00 0.00 H new ATOM 0 HD13 LEU A 46 8.098 1.303 -9.880 1.00 0.00 H new ATOM 0 HD21 LEU A 46 6.719 -1.260 -10.845 1.00 0.00 H new ATOM 0 HD22 LEU A 46 7.010 0.163 -11.873 1.00 0.00 H new ATOM 0 HD23 LEU A 46 7.604 -1.436 -12.379 1.00 0.00 H new ATOM 760 N LYS A 47 12.614 1.486 -10.998 1.00 0.00 N ATOM 761 CA LYS A 47 13.349 2.344 -10.087 1.00 0.00 C ATOM 762 C LYS A 47 12.645 3.686 -9.972 1.00 0.00 C ATOM 763 O LYS A 47 13.181 4.639 -9.411 1.00 0.00 O ATOM 764 CB LYS A 47 14.782 2.537 -10.581 1.00 0.00 C ATOM 765 CG LYS A 47 15.676 1.336 -10.329 1.00 0.00 C ATOM 766 CD LYS A 47 17.094 1.593 -10.804 1.00 0.00 C ATOM 767 CE LYS A 47 17.993 0.393 -10.560 1.00 0.00 C ATOM 768 NZ LYS A 47 19.386 0.644 -11.020 1.00 0.00 N ATOM 0 H LYS A 47 12.680 1.758 -11.979 1.00 0.00 H new ATOM 0 HA LYS A 47 13.385 1.874 -9.104 1.00 0.00 H new ATOM 0 HB2 LYS A 47 14.764 2.749 -11.650 1.00 0.00 H new ATOM 0 HB3 LYS A 47 15.213 3.410 -10.090 1.00 0.00 H new ATOM 0 HG2 LYS A 47 15.684 1.103 -9.264 1.00 0.00 H new ATOM 0 HG3 LYS A 47 15.271 0.464 -10.843 1.00 0.00 H new ATOM 0 HD2 LYS A 47 17.084 1.830 -11.868 1.00 0.00 H new ATOM 0 HD3 LYS A 47 17.499 2.463 -10.287 1.00 0.00 H new ATOM 0 HE2 LYS A 47 17.999 0.153 -9.497 1.00 0.00 H new ATOM 0 HE3 LYS A 47 17.589 -0.476 -11.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 19.969 -0.197 -10.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 19.383 0.848 -12.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 19.780 1.457 -10.505 1.00 0.00 H new ATOM 782 N THR A 48 11.435 3.746 -10.515 1.00 0.00 N ATOM 783 CA THR A 48 10.634 4.959 -10.490 1.00 0.00 C ATOM 784 C THR A 48 9.876 5.082 -9.169 1.00 0.00 C ATOM 785 O THR A 48 8.981 4.290 -8.890 1.00 0.00 O ATOM 786 CB THR A 48 9.636 4.968 -11.663 1.00 0.00 C ATOM 787 OG1 THR A 48 9.149 3.640 -11.889 1.00 0.00 O ATOM 788 CG2 THR A 48 10.302 5.488 -12.927 1.00 0.00 C ATOM 0 H THR A 48 10.985 2.959 -10.982 1.00 0.00 H new ATOM 0 HA THR A 48 11.309 5.810 -10.587 1.00 0.00 H new ATOM 0 HB THR A 48 8.805 5.626 -11.410 1.00 0.00 H new ATOM 0 HG1 THR A 48 8.513 3.647 -12.634 1.00 0.00 H new ATOM 0 HG21 THR A 48 9.581 5.487 -13.745 1.00 0.00 H new ATOM 0 HG22 THR A 48 10.658 6.504 -12.759 1.00 0.00 H new ATOM 0 HG23 THR A 48 11.144 4.846 -13.185 1.00 0.00 H new ATOM 796 N PRO A 49 10.232 6.086 -8.346 1.00 0.00 N ATOM 797 CA PRO A 49 9.602 6.321 -7.034 1.00 0.00 C ATOM 798 C PRO A 49 8.088 6.509 -7.116 1.00 0.00 C ATOM 799 O PRO A 49 7.353 6.078 -6.226 1.00 0.00 O ATOM 800 CB PRO A 49 10.273 7.610 -6.544 1.00 0.00 C ATOM 801 CG PRO A 49 11.557 7.683 -7.293 1.00 0.00 C ATOM 802 CD PRO A 49 11.281 7.077 -8.635 1.00 0.00 C ATOM 0 HA PRO A 49 9.736 5.466 -6.371 1.00 0.00 H new ATOM 0 HB2 PRO A 49 9.649 8.481 -6.744 1.00 0.00 H new ATOM 0 HB3 PRO A 49 10.445 7.582 -5.468 1.00 0.00 H new ATOM 0 HG2 PRO A 49 11.894 8.715 -7.392 1.00 0.00 H new ATOM 0 HG3 PRO A 49 12.345 7.139 -6.773 1.00 0.00 H new ATOM 0 HD2 PRO A 49 10.942 7.824 -9.353 1.00 0.00 H new ATOM 0 HD3 PRO A 49 12.171 6.610 -9.057 1.00 0.00 H new ATOM 810 N GLU A 50 7.629 7.155 -8.186 1.00 0.00 N ATOM 811 CA GLU A 50 6.204 7.394 -8.386 1.00 0.00 C ATOM 812 C GLU A 50 5.456 6.083 -8.615 1.00 0.00 C ATOM 813 O GLU A 50 4.360 5.885 -8.091 1.00 0.00 O ATOM 814 CB GLU A 50 5.986 8.328 -9.577 1.00 0.00 C ATOM 815 CG GLU A 50 6.345 9.778 -9.297 1.00 0.00 C ATOM 816 CD GLU A 50 6.103 10.671 -10.496 1.00 0.00 C ATOM 817 OE1 GLU A 50 4.970 11.180 -10.636 1.00 0.00 O ATOM 818 OE2 GLU A 50 7.042 10.856 -11.299 1.00 0.00 O ATOM 0 H GLU A 50 8.225 7.522 -8.928 1.00 0.00 H new ATOM 0 HA GLU A 50 5.812 7.863 -7.484 1.00 0.00 H new ATOM 0 HB2 GLU A 50 6.581 7.973 -10.418 1.00 0.00 H new ATOM 0 HB3 GLU A 50 4.941 8.275 -9.881 1.00 0.00 H new ATOM 0 HG2 GLU A 50 5.757 10.139 -8.453 1.00 0.00 H new ATOM 0 HG3 GLU A 50 7.393 9.841 -9.005 1.00 0.00 H new ATOM 825 N GLU A 51 6.058 5.191 -9.401 1.00 0.00 N ATOM 826 CA GLU A 51 5.451 3.898 -9.700 1.00 0.00 C ATOM 827 C GLU A 51 5.532 2.960 -8.497 1.00 0.00 C ATOM 828 O GLU A 51 4.651 2.129 -8.301 1.00 0.00 O ATOM 829 CB GLU A 51 6.125 3.254 -10.914 1.00 0.00 C ATOM 830 CG GLU A 51 5.231 2.286 -11.671 1.00 0.00 C ATOM 831 CD GLU A 51 5.535 2.253 -13.157 1.00 0.00 C ATOM 832 OE1 GLU A 51 6.657 1.845 -13.524 1.00 0.00 O ATOM 833 OE2 GLU A 51 4.652 2.633 -13.952 1.00 0.00 O ATOM 0 H GLU A 51 6.966 5.342 -9.841 1.00 0.00 H new ATOM 0 HA GLU A 51 4.400 4.070 -9.930 1.00 0.00 H new ATOM 0 HB2 GLU A 51 6.453 4.040 -11.595 1.00 0.00 H new ATOM 0 HB3 GLU A 51 7.019 2.725 -10.583 1.00 0.00 H new ATOM 0 HG2 GLU A 51 5.352 1.285 -11.257 1.00 0.00 H new ATOM 0 HG3 GLU A 51 4.189 2.568 -11.523 1.00 0.00 H new ATOM 840 N GLN A 52 6.602 3.091 -7.706 1.00 0.00 N ATOM 841 CA GLN A 52 6.792 2.263 -6.515 1.00 0.00 C ATOM 842 C GLN A 52 5.650 2.461 -5.522 1.00 0.00 C ATOM 843 O GLN A 52 5.074 1.493 -5.029 1.00 0.00 O ATOM 844 CB GLN A 52 8.127 2.597 -5.845 1.00 0.00 C ATOM 845 CG GLN A 52 9.337 2.197 -6.674 1.00 0.00 C ATOM 846 CD GLN A 52 10.301 1.307 -5.920 1.00 0.00 C ATOM 847 OE1 GLN A 52 11.028 1.765 -5.040 1.00 0.00 O ATOM 848 NE2 GLN A 52 10.317 0.025 -6.266 1.00 0.00 N ATOM 0 H GLN A 52 7.350 3.765 -7.871 1.00 0.00 H new ATOM 0 HA GLN A 52 6.799 1.219 -6.828 1.00 0.00 H new ATOM 0 HB2 GLN A 52 8.168 3.668 -5.649 1.00 0.00 H new ATOM 0 HB3 GLN A 52 8.176 2.094 -4.879 1.00 0.00 H new ATOM 0 HG2 GLN A 52 9.000 1.680 -7.572 1.00 0.00 H new ATOM 0 HG3 GLN A 52 9.860 3.096 -7.001 1.00 0.00 H new ATOM 0 HE21 GLN A 52 9.697 -0.312 -7.002 1.00 0.00 H new ATOM 0 HE22 GLN A 52 10.950 -0.622 -5.796 1.00 0.00 H new ATOM 857 N ALA A 53 5.328 3.723 -5.241 1.00 0.00 N ATOM 858 CA ALA A 53 4.251 4.054 -4.314 1.00 0.00 C ATOM 859 C ALA A 53 2.902 3.620 -4.872 1.00 0.00 C ATOM 860 O ALA A 53 2.045 3.135 -4.135 1.00 0.00 O ATOM 861 CB ALA A 53 4.249 5.547 -4.016 1.00 0.00 C ATOM 0 H ALA A 53 5.799 4.533 -5.644 1.00 0.00 H new ATOM 0 HA ALA A 53 4.423 3.513 -3.384 1.00 0.00 H new ATOM 0 HB1 ALA A 53 3.440 5.779 -3.323 1.00 0.00 H new ATOM 0 HB2 ALA A 53 5.202 5.830 -3.569 1.00 0.00 H new ATOM 0 HB3 ALA A 53 4.104 6.103 -4.942 1.00 0.00 H new ATOM 867 N LYS A 54 2.729 3.788 -6.184 1.00 0.00 N ATOM 868 CA LYS A 54 1.490 3.406 -6.857 1.00 0.00 C ATOM 869 C LYS A 54 1.310 1.891 -6.836 1.00 0.00 C ATOM 870 O LYS A 54 0.190 1.391 -6.752 1.00 0.00 O ATOM 871 CB LYS A 54 1.499 3.916 -8.300 1.00 0.00 C ATOM 872 CG LYS A 54 1.142 5.388 -8.420 1.00 0.00 C ATOM 873 CD LYS A 54 1.148 5.853 -9.867 1.00 0.00 C ATOM 874 CE LYS A 54 1.005 7.363 -9.966 1.00 0.00 C ATOM 875 NZ LYS A 54 2.285 8.067 -9.669 1.00 0.00 N ATOM 0 H LYS A 54 3.435 4.188 -6.802 1.00 0.00 H new ATOM 0 HA LYS A 54 0.653 3.859 -6.325 1.00 0.00 H new ATOM 0 HB2 LYS A 54 2.488 3.753 -8.729 1.00 0.00 H new ATOM 0 HB3 LYS A 54 0.795 3.329 -8.890 1.00 0.00 H new ATOM 0 HG2 LYS A 54 0.157 5.560 -7.987 1.00 0.00 H new ATOM 0 HG3 LYS A 54 1.851 5.982 -7.844 1.00 0.00 H new ATOM 0 HD2 LYS A 54 2.076 5.542 -10.347 1.00 0.00 H new ATOM 0 HD3 LYS A 54 0.333 5.373 -10.408 1.00 0.00 H new ATOM 0 HE2 LYS A 54 0.669 7.630 -10.968 1.00 0.00 H new ATOM 0 HE3 LYS A 54 0.236 7.700 -9.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 2.081 9.024 -9.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 2.813 7.537 -8.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 2.855 8.132 -10.536 1.00 0.00 H new ATOM 889 N LYS A 55 2.429 1.169 -6.901 1.00 0.00 N ATOM 890 CA LYS A 55 2.415 -0.290 -6.878 1.00 0.00 C ATOM 891 C LYS A 55 2.054 -0.805 -5.494 1.00 0.00 C ATOM 892 O LYS A 55 1.503 -1.890 -5.362 1.00 0.00 O ATOM 893 CB LYS A 55 3.777 -0.851 -7.293 1.00 0.00 C ATOM 894 CG LYS A 55 3.922 -1.051 -8.793 1.00 0.00 C ATOM 895 CD LYS A 55 3.416 -2.419 -9.225 1.00 0.00 C ATOM 896 CE LYS A 55 3.194 -2.480 -10.728 1.00 0.00 C ATOM 897 NZ LYS A 55 4.478 -2.472 -11.479 1.00 0.00 N ATOM 0 H LYS A 55 3.362 1.576 -6.970 1.00 0.00 H new ATOM 0 HA LYS A 55 1.660 -0.626 -7.589 1.00 0.00 H new ATOM 0 HB2 LYS A 55 4.559 -0.175 -6.948 1.00 0.00 H new ATOM 0 HB3 LYS A 55 3.936 -1.805 -6.791 1.00 0.00 H new ATOM 0 HG2 LYS A 55 3.368 -0.274 -9.320 1.00 0.00 H new ATOM 0 HG3 LYS A 55 4.969 -0.943 -9.076 1.00 0.00 H new ATOM 0 HD2 LYS A 55 4.135 -3.184 -8.931 1.00 0.00 H new ATOM 0 HD3 LYS A 55 2.483 -2.643 -8.709 1.00 0.00 H new ATOM 0 HE2 LYS A 55 2.634 -3.382 -10.976 1.00 0.00 H new ATOM 0 HE3 LYS A 55 2.586 -1.631 -11.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 4.383 -3.055 -12.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 4.716 -1.496 -11.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 5.234 -2.859 -10.879 1.00 0.00 H new ATOM 911 N LEU A 56 2.362 -0.018 -4.470 1.00 0.00 N ATOM 912 CA LEU A 56 2.065 -0.401 -3.096 1.00 0.00 C ATOM 913 C LEU A 56 0.578 -0.280 -2.810 1.00 0.00 C ATOM 914 O LEU A 56 -0.023 -1.176 -2.219 1.00 0.00 O ATOM 915 CB LEU A 56 2.844 0.466 -2.119 1.00 0.00 C ATOM 916 CG LEU A 56 3.193 -0.218 -0.800 1.00 0.00 C ATOM 917 CD1 LEU A 56 4.555 -0.881 -0.893 1.00 0.00 C ATOM 918 CD2 LEU A 56 3.157 0.781 0.344 1.00 0.00 C ATOM 0 H LEU A 56 2.818 0.890 -4.566 1.00 0.00 H new ATOM 0 HA LEU A 56 2.365 -1.441 -2.968 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.767 0.792 -2.599 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.262 1.362 -1.905 1.00 0.00 H new ATOM 0 HG LEU A 56 2.449 -0.989 -0.601 1.00 0.00 H new ATOM 0 HD11 LEU A 56 4.790 -1.364 0.055 1.00 0.00 H new ATOM 0 HD12 LEU A 56 4.543 -1.627 -1.688 1.00 0.00 H new ATOM 0 HD13 LEU A 56 5.312 -0.128 -1.114 1.00 0.00 H new ATOM 0 HD21 LEU A 56 3.408 0.276 1.276 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.879 1.576 0.156 1.00 0.00 H new ATOM 0 HD23 LEU A 56 2.158 1.210 0.422 1.00 0.00 H new ATOM 930 N ILE A 57 -0.007 0.840 -3.222 1.00 0.00 N ATOM 931 CA ILE A 57 -1.428 1.065 -3.024 1.00 0.00 C ATOM 932 C ILE A 57 -2.233 0.077 -3.865 1.00 0.00 C ATOM 933 O ILE A 57 -3.288 -0.393 -3.451 1.00 0.00 O ATOM 934 CB ILE A 57 -1.825 2.514 -3.376 1.00 0.00 C ATOM 935 CG1 ILE A 57 -0.980 3.502 -2.571 1.00 0.00 C ATOM 936 CG2 ILE A 57 -3.304 2.750 -3.108 1.00 0.00 C ATOM 937 CD1 ILE A 57 -0.728 4.808 -3.290 1.00 0.00 C ATOM 0 H ILE A 57 0.482 1.601 -3.693 1.00 0.00 H new ATOM 0 HA ILE A 57 -1.652 0.907 -1.969 1.00 0.00 H new ATOM 0 HB ILE A 57 -1.640 2.671 -4.439 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -1.480 3.708 -1.625 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -0.023 3.038 -2.331 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -3.561 3.778 -3.364 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -3.897 2.066 -3.715 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -3.515 2.575 -2.053 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -0.123 5.459 -2.660 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -0.200 4.613 -4.224 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -1.679 5.294 -3.506 1.00 0.00 H new ATOM 949 N ASP A 58 -1.700 -0.255 -5.042 1.00 0.00 N ATOM 950 CA ASP A 58 -2.344 -1.205 -5.943 1.00 0.00 C ATOM 951 C ASP A 58 -2.118 -2.633 -5.461 1.00 0.00 C ATOM 952 O ASP A 58 -2.811 -3.557 -5.880 1.00 0.00 O ATOM 953 CB ASP A 58 -1.799 -1.044 -7.366 1.00 0.00 C ATOM 954 CG ASP A 58 -2.714 -0.216 -8.246 1.00 0.00 C ATOM 955 OD1 ASP A 58 -2.611 1.028 -8.206 1.00 0.00 O ATOM 956 OD2 ASP A 58 -3.533 -0.810 -8.977 1.00 0.00 O ATOM 0 H ASP A 58 -0.820 0.123 -5.392 1.00 0.00 H new ATOM 0 HA ASP A 58 -3.415 -1.000 -5.949 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -0.816 -0.574 -7.325 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -1.663 -2.029 -7.813 1.00 0.00 H new ATOM 961 N PHE A 59 -1.139 -2.804 -4.574 1.00 0.00 N ATOM 962 CA PHE A 59 -0.819 -4.114 -4.022 1.00 0.00 C ATOM 963 C PHE A 59 -1.838 -4.534 -2.968 1.00 0.00 C ATOM 964 O PHE A 59 -2.225 -5.697 -2.897 1.00 0.00 O ATOM 965 CB PHE A 59 0.576 -4.094 -3.395 1.00 0.00 C ATOM 966 CG PHE A 59 1.526 -5.097 -3.978 1.00 0.00 C ATOM 967 CD1 PHE A 59 2.192 -4.834 -5.165 1.00 0.00 C ATOM 968 CD2 PHE A 59 1.761 -6.300 -3.335 1.00 0.00 C ATOM 969 CE1 PHE A 59 3.072 -5.751 -5.701 1.00 0.00 C ATOM 970 CE2 PHE A 59 2.641 -7.222 -3.863 1.00 0.00 C ATOM 971 CZ PHE A 59 3.297 -6.948 -5.048 1.00 0.00 C ATOM 0 H PHE A 59 -0.553 -2.047 -4.223 1.00 0.00 H new ATOM 0 HA PHE A 59 -0.846 -4.835 -4.839 1.00 0.00 H new ATOM 0 HB2 PHE A 59 1.001 -3.097 -3.512 1.00 0.00 H new ATOM 0 HB3 PHE A 59 0.484 -4.277 -2.324 1.00 0.00 H new ATOM 0 HD1 PHE A 59 2.020 -3.899 -5.677 1.00 0.00 H new ATOM 0 HD2 PHE A 59 1.250 -6.519 -2.409 1.00 0.00 H new ATOM 0 HE1 PHE A 59 3.583 -5.534 -6.627 1.00 0.00 H new ATOM 0 HE2 PHE A 59 2.817 -8.157 -3.351 1.00 0.00 H new ATOM 0 HZ PHE A 59 3.985 -7.669 -5.464 1.00 0.00 H new ATOM 981 N ILE A 60 -2.276 -3.578 -2.154 1.00 0.00 N ATOM 982 CA ILE A 60 -3.233 -3.866 -1.086 1.00 0.00 C ATOM 983 C ILE A 60 -4.685 -3.618 -1.501 1.00 0.00 C ATOM 984 O ILE A 60 -5.595 -4.268 -0.990 1.00 0.00 O ATOM 985 CB ILE A 60 -2.925 -3.044 0.189 1.00 0.00 C ATOM 986 CG1 ILE A 60 -2.585 -1.588 -0.155 1.00 0.00 C ATOM 987 CG2 ILE A 60 -1.778 -3.681 0.961 1.00 0.00 C ATOM 988 CD1 ILE A 60 -3.747 -0.634 0.014 1.00 0.00 C ATOM 0 H ILE A 60 -1.986 -2.602 -2.211 1.00 0.00 H new ATOM 0 HA ILE A 60 -3.119 -4.929 -0.874 1.00 0.00 H new ATOM 0 HB ILE A 60 -3.819 -3.043 0.812 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -1.761 -1.258 0.477 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -2.235 -1.540 -1.186 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -1.571 -3.094 1.856 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -2.052 -4.696 1.249 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -0.888 -3.710 0.332 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -3.430 0.376 -0.248 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -4.565 -0.938 -0.639 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -4.084 -0.651 1.050 1.00 0.00 H new ATOM 1000 N LEU A 61 -4.903 -2.692 -2.432 1.00 0.00 N ATOM 1001 CA LEU A 61 -6.259 -2.367 -2.875 1.00 0.00 C ATOM 1002 C LEU A 61 -6.789 -3.373 -3.893 1.00 0.00 C ATOM 1003 O LEU A 61 -7.972 -3.357 -4.231 1.00 0.00 O ATOM 1004 CB LEU A 61 -6.307 -0.961 -3.471 1.00 0.00 C ATOM 1005 CG LEU A 61 -7.652 -0.247 -3.328 1.00 0.00 C ATOM 1006 CD1 LEU A 61 -7.785 0.372 -1.946 1.00 0.00 C ATOM 1007 CD2 LEU A 61 -7.804 0.813 -4.405 1.00 0.00 C ATOM 0 H LEU A 61 -4.166 -2.157 -2.892 1.00 0.00 H new ATOM 0 HA LEU A 61 -6.899 -2.412 -1.994 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -5.537 -0.354 -2.995 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -6.055 -1.022 -4.530 1.00 0.00 H new ATOM 0 HG LEU A 61 -8.448 -0.981 -3.451 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -8.748 0.875 -1.864 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -7.718 -0.410 -1.189 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -6.984 1.095 -1.792 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -8.766 1.313 -4.291 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -7.002 1.545 -4.311 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -7.754 0.343 -5.387 1.00 0.00 H new ATOM 1019 N LYS A 62 -5.919 -4.253 -4.373 1.00 0.00 N ATOM 1020 CA LYS A 62 -6.316 -5.250 -5.359 1.00 0.00 C ATOM 1021 C LYS A 62 -6.646 -6.587 -4.711 1.00 0.00 C ATOM 1022 O LYS A 62 -7.158 -7.493 -5.366 1.00 0.00 O ATOM 1023 CB LYS A 62 -5.205 -5.439 -6.383 1.00 0.00 C ATOM 1024 CG LYS A 62 -5.716 -5.674 -7.787 1.00 0.00 C ATOM 1025 CD LYS A 62 -4.574 -5.765 -8.780 1.00 0.00 C ATOM 1026 CE LYS A 62 -5.082 -6.041 -10.183 1.00 0.00 C ATOM 1027 NZ LYS A 62 -3.967 -6.129 -11.165 1.00 0.00 N ATOM 0 H LYS A 62 -4.938 -4.297 -4.097 1.00 0.00 H new ATOM 0 HA LYS A 62 -7.217 -4.885 -5.852 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -4.565 -4.557 -6.380 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -4.585 -6.284 -6.084 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -6.299 -6.594 -7.815 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -6.386 -4.863 -8.073 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -4.008 -4.833 -8.773 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -3.888 -6.557 -8.477 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -5.646 -6.973 -10.189 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -5.770 -5.250 -10.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -4.353 -6.318 -12.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -3.444 -5.230 -11.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -3.324 -6.900 -10.892 1.00 0.00 H new ATOM 1041 N LEU A 63 -6.357 -6.711 -3.423 1.00 0.00 N ATOM 1042 CA LEU A 63 -6.625 -7.949 -2.710 1.00 0.00 C ATOM 1043 C LEU A 63 -7.989 -7.914 -2.028 1.00 0.00 C ATOM 1044 O LEU A 63 -8.712 -6.918 -2.102 1.00 0.00 O ATOM 1045 CB LEU A 63 -5.529 -8.219 -1.684 1.00 0.00 C ATOM 1046 CG LEU A 63 -4.155 -8.540 -2.276 1.00 0.00 C ATOM 1047 CD1 LEU A 63 -3.067 -8.312 -1.242 1.00 0.00 C ATOM 1048 CD2 LEU A 63 -4.112 -9.972 -2.789 1.00 0.00 C ATOM 0 H LEU A 63 -5.940 -5.974 -2.855 1.00 0.00 H new ATOM 0 HA LEU A 63 -6.635 -8.758 -3.440 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -5.435 -7.347 -1.037 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -5.840 -9.052 -1.053 1.00 0.00 H new ATOM 0 HG LEU A 63 -3.979 -7.871 -3.118 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -2.096 -8.545 -1.678 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -3.081 -7.270 -0.923 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -3.242 -8.958 -0.381 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -3.126 -10.180 -3.206 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -4.310 -10.659 -1.967 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -4.868 -10.104 -3.563 1.00 0.00 H new ATOM 1060 N SER A 64 -8.330 -9.012 -1.368 1.00 0.00 N ATOM 1061 CA SER A 64 -9.606 -9.137 -0.674 1.00 0.00 C ATOM 1062 C SER A 64 -9.598 -8.374 0.655 1.00 0.00 C ATOM 1063 O SER A 64 -8.539 -8.023 1.172 1.00 0.00 O ATOM 1064 CB SER A 64 -9.908 -10.620 -0.437 1.00 0.00 C ATOM 1065 OG SER A 64 -10.265 -11.267 -1.648 1.00 0.00 O ATOM 0 H SER A 64 -7.735 -9.837 -1.298 1.00 0.00 H new ATOM 0 HA SER A 64 -10.386 -8.698 -1.297 1.00 0.00 H new ATOM 0 HB2 SER A 64 -9.035 -11.108 -0.004 1.00 0.00 H new ATOM 0 HB3 SER A 64 -10.719 -10.719 0.285 1.00 0.00 H new ATOM 0 HG SER A 64 -10.451 -12.213 -1.471 1.00 0.00 H new ATOM 1071 N PRO A 65 -10.793 -8.087 1.207 1.00 0.00 N ATOM 1072 CA PRO A 65 -10.939 -7.373 2.487 1.00 0.00 C ATOM 1073 C PRO A 65 -10.218 -8.053 3.658 1.00 0.00 C ATOM 1074 O PRO A 65 -9.843 -7.396 4.626 1.00 0.00 O ATOM 1075 CB PRO A 65 -12.454 -7.352 2.729 1.00 0.00 C ATOM 1076 CG PRO A 65 -13.025 -8.360 1.790 1.00 0.00 C ATOM 1077 CD PRO A 65 -12.103 -8.401 0.611 1.00 0.00 C ATOM 0 HA PRO A 65 -10.486 -6.383 2.431 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -12.689 -7.603 3.763 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -12.867 -6.361 2.539 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -13.094 -9.339 2.264 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -14.034 -8.081 1.486 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -12.104 -9.380 0.131 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -12.386 -7.673 -0.149 1.00 0.00 H new ATOM 1085 N ALA A 66 -10.048 -9.373 3.579 1.00 0.00 N ATOM 1086 CA ALA A 66 -9.372 -10.124 4.636 1.00 0.00 C ATOM 1087 C ALA A 66 -7.851 -10.042 4.493 1.00 0.00 C ATOM 1088 O ALA A 66 -7.115 -10.286 5.450 1.00 0.00 O ATOM 1089 CB ALA A 66 -9.826 -11.576 4.613 1.00 0.00 C ATOM 0 H ALA A 66 -10.368 -9.943 2.796 1.00 0.00 H new ATOM 0 HA ALA A 66 -9.641 -9.678 5.594 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -9.318 -12.129 5.403 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -10.903 -11.623 4.772 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -9.582 -12.018 3.647 1.00 0.00 H new ATOM 1095 N ASP A 67 -7.392 -9.693 3.294 1.00 0.00 N ATOM 1096 CA ASP A 67 -5.962 -9.580 3.011 1.00 0.00 C ATOM 1097 C ASP A 67 -5.364 -8.307 3.611 1.00 0.00 C ATOM 1098 O ASP A 67 -4.230 -8.316 4.093 1.00 0.00 O ATOM 1099 CB ASP A 67 -5.729 -9.597 1.498 1.00 0.00 C ATOM 1100 CG ASP A 67 -5.772 -10.997 0.919 1.00 0.00 C ATOM 1101 OD1 ASP A 67 -6.876 -11.450 0.548 1.00 0.00 O ATOM 1102 OD2 ASP A 67 -4.706 -11.640 0.836 1.00 0.00 O ATOM 0 H ASP A 67 -7.993 -9.482 2.497 1.00 0.00 H new ATOM 0 HA ASP A 67 -5.464 -10.433 3.472 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -6.486 -8.982 1.010 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -4.761 -9.146 1.278 1.00 0.00 H new ATOM 1107 N VAL A 68 -6.133 -7.217 3.592 1.00 0.00 N ATOM 1108 CA VAL A 68 -5.661 -5.935 4.122 1.00 0.00 C ATOM 1109 C VAL A 68 -5.549 -5.951 5.646 1.00 0.00 C ATOM 1110 O VAL A 68 -4.712 -5.249 6.208 1.00 0.00 O ATOM 1111 CB VAL A 68 -6.550 -4.744 3.693 1.00 0.00 C ATOM 1112 CG1 VAL A 68 -6.306 -4.384 2.237 1.00 0.00 C ATOM 1113 CG2 VAL A 68 -8.023 -5.033 3.933 1.00 0.00 C ATOM 0 H VAL A 68 -7.081 -7.195 3.217 1.00 0.00 H new ATOM 0 HA VAL A 68 -4.670 -5.796 3.691 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.274 -3.890 4.311 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -6.942 -3.544 1.958 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -5.260 -4.108 2.101 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -6.540 -5.241 1.606 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -8.618 -4.175 3.620 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -8.320 -5.910 3.358 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -8.189 -5.222 4.994 1.00 0.00 H new ATOM 1123 N GLN A 69 -6.411 -6.733 6.305 1.00 0.00 N ATOM 1124 CA GLN A 69 -6.422 -6.832 7.769 1.00 0.00 C ATOM 1125 C GLN A 69 -5.032 -7.137 8.332 1.00 0.00 C ATOM 1126 O GLN A 69 -4.644 -6.593 9.365 1.00 0.00 O ATOM 1127 CB GLN A 69 -7.413 -7.910 8.221 1.00 0.00 C ATOM 1128 CG GLN A 69 -8.112 -7.582 9.532 1.00 0.00 C ATOM 1129 CD GLN A 69 -9.257 -6.605 9.353 1.00 0.00 C ATOM 1130 OE1 GLN A 69 -10.382 -6.999 9.051 1.00 0.00 O ATOM 1131 NE2 GLN A 69 -8.976 -5.320 9.534 1.00 0.00 N ATOM 0 H GLN A 69 -7.114 -7.310 5.844 1.00 0.00 H new ATOM 0 HA GLN A 69 -6.734 -5.863 8.158 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -8.164 -8.051 7.444 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -6.884 -8.857 8.328 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -8.490 -8.502 9.978 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -7.388 -7.163 10.231 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -8.029 -5.035 9.784 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -9.707 -4.618 9.423 1.00 0.00 H new ATOM 1140 N ALA A 70 -4.288 -7.998 7.641 1.00 0.00 N ATOM 1141 CA ALA A 70 -2.945 -8.378 8.066 1.00 0.00 C ATOM 1142 C ALA A 70 -1.965 -7.212 7.931 1.00 0.00 C ATOM 1143 O ALA A 70 -1.072 -7.042 8.762 1.00 0.00 O ATOM 1144 CB ALA A 70 -2.463 -9.572 7.255 1.00 0.00 C ATOM 0 H ALA A 70 -4.596 -8.448 6.779 1.00 0.00 H new ATOM 0 HA ALA A 70 -2.988 -8.653 9.120 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -1.460 -9.850 7.578 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -3.139 -10.413 7.408 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -2.444 -9.310 6.197 1.00 0.00 H new ATOM 1150 N ARG A 71 -2.146 -6.411 6.883 1.00 0.00 N ATOM 1151 CA ARG A 71 -1.283 -5.261 6.625 1.00 0.00 C ATOM 1152 C ARG A 71 -1.570 -4.118 7.596 1.00 0.00 C ATOM 1153 O ARG A 71 -0.674 -3.355 7.948 1.00 0.00 O ATOM 1154 CB ARG A 71 -1.461 -4.788 5.186 1.00 0.00 C ATOM 1155 CG ARG A 71 -0.208 -4.174 4.582 1.00 0.00 C ATOM 1156 CD ARG A 71 -0.198 -2.663 4.736 1.00 0.00 C ATOM 1157 NE ARG A 71 0.995 -2.054 4.159 1.00 0.00 N ATOM 1158 CZ ARG A 71 1.136 -0.747 3.972 1.00 0.00 C ATOM 1159 NH1 ARG A 71 0.157 0.080 4.317 1.00 0.00 N ATOM 1160 NH2 ARG A 71 2.253 -0.262 3.453 1.00 0.00 N ATOM 0 H ARG A 71 -2.888 -6.539 6.195 1.00 0.00 H new ATOM 0 HA ARG A 71 -0.250 -5.574 6.776 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -1.773 -5.633 4.572 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -2.267 -4.055 5.152 1.00 0.00 H new ATOM 0 HG2 ARG A 71 0.674 -4.596 5.064 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -0.148 -4.433 3.525 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -1.084 -2.246 4.257 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -0.258 -2.408 5.794 1.00 0.00 H new ATOM 0 HE ARG A 71 1.763 -2.666 3.884 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -0.702 -0.289 4.725 1.00 0.00 H new ATOM 0 HH12 ARG A 71 0.264 1.084 4.174 1.00 0.00 H new ATOM 0 HH21 ARG A 71 3.011 -0.893 3.194 1.00 0.00 H new ATOM 0 HH22 ARG A 71 2.355 0.743 3.312 1.00 0.00 H new ATOM 1174 N ILE A 72 -2.824 -3.996 8.017 1.00 0.00 N ATOM 1175 CA ILE A 72 -3.206 -2.952 8.957 1.00 0.00 C ATOM 1176 C ILE A 72 -2.594 -3.235 10.329 1.00 0.00 C ATOM 1177 O ILE A 72 -2.253 -2.315 11.073 1.00 0.00 O ATOM 1178 CB ILE A 72 -4.746 -2.832 9.073 1.00 0.00 C ATOM 1179 CG1 ILE A 72 -5.347 -2.436 7.726 1.00 0.00 C ATOM 1180 CG2 ILE A 72 -5.144 -1.817 10.138 1.00 0.00 C ATOM 1181 CD1 ILE A 72 -6.728 -3.005 7.492 1.00 0.00 C ATOM 0 H ILE A 72 -3.589 -4.604 7.724 1.00 0.00 H new ATOM 0 HA ILE A 72 -2.824 -2.003 8.581 1.00 0.00 H new ATOM 0 HB ILE A 72 -5.136 -3.806 9.369 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -5.395 -1.349 7.664 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -4.684 -2.772 6.928 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -6.231 -1.756 10.195 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -4.747 -2.129 11.104 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -4.739 -0.839 9.878 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -7.094 -2.683 6.517 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -6.683 -4.094 7.522 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -7.405 -2.649 8.269 1.00 0.00 H new ATOM 1193 N ASN A 73 -2.428 -4.523 10.638 1.00 0.00 N ATOM 1194 CA ASN A 73 -1.851 -4.947 11.913 1.00 0.00 C ATOM 1195 C ASN A 73 -0.357 -4.630 11.984 1.00 0.00 C ATOM 1196 O ASN A 73 0.136 -4.184 13.020 1.00 0.00 O ATOM 1197 CB ASN A 73 -2.060 -6.447 12.126 1.00 0.00 C ATOM 1198 CG ASN A 73 -3.500 -6.804 12.437 1.00 0.00 C ATOM 1199 OD1 ASN A 73 -4.229 -6.022 13.046 1.00 0.00 O ATOM 1200 ND2 ASN A 73 -3.918 -7.991 12.017 1.00 0.00 N ATOM 0 H ASN A 73 -2.686 -5.292 10.019 1.00 0.00 H new ATOM 0 HA ASN A 73 -2.362 -4.393 12.700 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -1.743 -6.983 11.232 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -1.423 -6.785 12.943 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -4.878 -8.286 12.196 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -3.280 -8.608 11.515 1.00 0.00 H new ATOM 1207 N VAL A 74 0.360 -4.863 10.882 1.00 0.00 N ATOM 1208 CA VAL A 74 1.799 -4.608 10.839 1.00 0.00 C ATOM 1209 C VAL A 74 2.098 -3.105 10.827 1.00 0.00 C ATOM 1210 O VAL A 74 3.075 -2.657 11.426 1.00 0.00 O ATOM 1211 CB VAL A 74 2.479 -5.310 9.630 1.00 0.00 C ATOM 1212 CG1 VAL A 74 2.130 -4.635 8.313 1.00 0.00 C ATOM 1213 CG2 VAL A 74 3.988 -5.360 9.811 1.00 0.00 C ATOM 0 H VAL A 74 -0.031 -5.226 10.013 1.00 0.00 H new ATOM 0 HA VAL A 74 2.222 -5.035 11.748 1.00 0.00 H new ATOM 0 HB VAL A 74 2.094 -6.329 9.594 1.00 0.00 H new ATOM 0 HG11 VAL A 74 2.626 -5.157 7.494 1.00 0.00 H new ATOM 0 HG12 VAL A 74 1.051 -4.666 8.163 1.00 0.00 H new ATOM 0 HG13 VAL A 74 2.463 -3.597 8.336 1.00 0.00 H new ATOM 0 HG21 VAL A 74 4.441 -5.856 8.952 1.00 0.00 H new ATOM 0 HG22 VAL A 74 4.379 -4.346 9.892 1.00 0.00 H new ATOM 0 HG23 VAL A 74 4.227 -5.915 10.718 1.00 0.00 H new ATOM 1223 N LEU A 75 1.243 -2.335 10.159 1.00 0.00 N ATOM 1224 CA LEU A 75 1.418 -0.890 10.055 1.00 0.00 C ATOM 1225 C LEU A 75 1.227 -0.190 11.399 1.00 0.00 C ATOM 1226 O LEU A 75 1.965 0.736 11.727 1.00 0.00 O ATOM 1227 CB LEU A 75 0.438 -0.325 9.028 1.00 0.00 C ATOM 1228 CG LEU A 75 0.950 0.874 8.235 1.00 0.00 C ATOM 1229 CD1 LEU A 75 2.074 0.455 7.304 1.00 0.00 C ATOM 1230 CD2 LEU A 75 -0.181 1.514 7.450 1.00 0.00 C ATOM 0 H LEU A 75 0.417 -2.691 9.679 1.00 0.00 H new ATOM 0 HA LEU A 75 2.442 -0.703 9.733 1.00 0.00 H new ATOM 0 HB2 LEU A 75 0.173 -1.117 8.328 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -0.478 -0.036 9.544 1.00 0.00 H new ATOM 0 HG LEU A 75 1.341 1.610 8.937 1.00 0.00 H new ATOM 0 HD11 LEU A 75 2.427 1.322 6.746 1.00 0.00 H new ATOM 0 HD12 LEU A 75 2.895 0.041 7.889 1.00 0.00 H new ATOM 0 HD13 LEU A 75 1.708 -0.299 6.608 1.00 0.00 H new ATOM 0 HD21 LEU A 75 0.202 2.367 6.890 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -0.601 0.785 6.757 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -0.957 1.850 8.138 1.00 0.00 H new ATOM 1242 N ARG A 76 0.252 -0.647 12.177 1.00 0.00 N ATOM 1243 CA ARG A 76 -0.036 -0.045 13.477 1.00 0.00 C ATOM 1244 C ARG A 76 1.072 -0.309 14.497 1.00 0.00 C ATOM 1245 O ARG A 76 1.391 0.555 15.313 1.00 0.00 O ATOM 1246 CB ARG A 76 -1.366 -0.578 14.016 1.00 0.00 C ATOM 1247 CG ARG A 76 -2.581 -0.065 13.257 1.00 0.00 C ATOM 1248 CD ARG A 76 -3.160 1.186 13.895 1.00 0.00 C ATOM 1249 NE ARG A 76 -4.361 1.644 13.200 1.00 0.00 N ATOM 1250 CZ ARG A 76 -5.177 2.581 13.675 1.00 0.00 C ATOM 1251 NH1 ARG A 76 -4.924 3.152 14.845 1.00 0.00 N ATOM 1252 NH2 ARG A 76 -6.249 2.944 12.983 1.00 0.00 N ATOM 0 H ARG A 76 -0.352 -1.431 11.932 1.00 0.00 H new ATOM 0 HA ARG A 76 -0.097 1.033 13.327 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -1.355 -1.667 13.974 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -1.460 -0.301 15.066 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -2.301 0.150 12.226 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -3.344 -0.843 13.225 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -3.399 0.984 14.939 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -2.411 1.978 13.887 1.00 0.00 H new ATOM 0 HE ARG A 76 -4.586 1.221 12.300 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -4.103 2.873 15.382 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -5.551 3.870 15.208 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -6.449 2.504 12.085 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -6.873 3.663 13.349 1.00 0.00 H new ATOM 1266 N ALA A 77 1.671 -1.494 14.439 1.00 0.00 N ATOM 1267 CA ALA A 77 2.715 -1.865 15.389 1.00 0.00 C ATOM 1268 C ALA A 77 4.111 -1.395 14.970 1.00 0.00 C ATOM 1269 O ALA A 77 5.038 -1.426 15.779 1.00 0.00 O ATOM 1270 CB ALA A 77 2.710 -3.370 15.601 1.00 0.00 C ATOM 0 H ALA A 77 1.453 -2.211 13.748 1.00 0.00 H new ATOM 0 HA ALA A 77 2.485 -1.354 16.324 1.00 0.00 H new ATOM 0 HB1 ALA A 77 3.492 -3.640 16.311 1.00 0.00 H new ATOM 0 HB2 ALA A 77 1.741 -3.679 15.993 1.00 0.00 H new ATOM 0 HB3 ALA A 77 2.894 -3.872 14.651 1.00 0.00 H new ATOM 1276 N HIS A 78 4.268 -0.954 13.724 1.00 0.00 N ATOM 1277 CA HIS A 78 5.576 -0.499 13.247 1.00 0.00 C ATOM 1278 C HIS A 78 5.745 1.014 13.383 1.00 0.00 C ATOM 1279 O HIS A 78 6.786 1.561 13.020 1.00 0.00 O ATOM 1280 CB HIS A 78 5.806 -0.930 11.796 1.00 0.00 C ATOM 1281 CG HIS A 78 6.526 -2.240 11.686 1.00 0.00 C ATOM 1282 ND1 HIS A 78 7.854 -2.345 11.325 1.00 0.00 N ATOM 1283 CD2 HIS A 78 6.100 -3.505 11.915 1.00 0.00 C ATOM 1284 CE1 HIS A 78 8.212 -3.618 11.342 1.00 0.00 C ATOM 1285 NE2 HIS A 78 7.165 -4.340 11.694 1.00 0.00 N ATOM 0 H HIS A 78 3.519 -0.901 13.033 1.00 0.00 H new ATOM 0 HA HIS A 78 6.327 -0.971 13.880 1.00 0.00 H new ATOM 0 HB2 HIS A 78 4.845 -1.005 11.287 1.00 0.00 H new ATOM 0 HB3 HIS A 78 6.380 -0.161 11.280 1.00 0.00 H new ATOM 0 HD2 HIS A 78 5.106 -3.801 12.216 1.00 0.00 H new ATOM 0 HE1 HIS A 78 9.194 -4.001 11.108 1.00 0.00 H new ATOM 0 HE2 HIS A 78 7.150 -5.356 11.787 1.00 0.00 H new ATOM 1294 N GLY A 79 4.724 1.686 13.905 1.00 0.00 N ATOM 1295 CA GLY A 79 4.805 3.126 14.087 1.00 0.00 C ATOM 1296 C GLY A 79 4.123 3.908 12.982 1.00 0.00 C ATOM 1297 O GLY A 79 4.068 5.136 13.030 1.00 0.00 O ATOM 0 H GLY A 79 3.845 1.263 14.204 1.00 0.00 H new ATOM 0 HA2 GLY A 79 4.353 3.391 15.043 1.00 0.00 H new ATOM 0 HA3 GLY A 79 5.853 3.421 14.138 1.00 0.00 H new ATOM 1301 N TYR A 80 3.594 3.200 11.987 1.00 0.00 N ATOM 1302 CA TYR A 80 2.912 3.843 10.868 1.00 0.00 C ATOM 1303 C TYR A 80 1.400 3.848 11.105 1.00 0.00 C ATOM 1304 O TYR A 80 0.606 3.569 10.208 1.00 0.00 O ATOM 1305 CB TYR A 80 3.272 3.131 9.559 1.00 0.00 C ATOM 1306 CG TYR A 80 4.731 3.283 9.177 1.00 0.00 C ATOM 1307 CD1 TYR A 80 5.708 2.481 9.757 1.00 0.00 C ATOM 1308 CD2 TYR A 80 5.131 4.233 8.245 1.00 0.00 C ATOM 1309 CE1 TYR A 80 7.037 2.621 9.417 1.00 0.00 C ATOM 1310 CE2 TYR A 80 6.462 4.376 7.900 1.00 0.00 C ATOM 1311 CZ TYR A 80 7.409 3.568 8.491 1.00 0.00 C ATOM 1312 OH TYR A 80 8.733 3.705 8.156 1.00 0.00 O ATOM 0 H TYR A 80 3.625 2.182 11.933 1.00 0.00 H new ATOM 0 HA TYR A 80 3.241 4.879 10.790 1.00 0.00 H new ATOM 0 HB2 TYR A 80 3.037 2.071 9.653 1.00 0.00 H new ATOM 0 HB3 TYR A 80 2.650 3.526 8.756 1.00 0.00 H new ATOM 0 HD1 TYR A 80 5.421 1.737 10.485 1.00 0.00 H new ATOM 0 HD2 TYR A 80 4.391 4.869 7.783 1.00 0.00 H new ATOM 0 HE1 TYR A 80 7.783 1.989 9.876 1.00 0.00 H new ATOM 0 HE2 TYR A 80 6.758 5.117 7.172 1.00 0.00 H new ATOM 0 HH TYR A 80 8.826 4.394 7.465 1.00 0.00 H new ATOM 1322 N GLN A 81 1.037 4.175 12.342 1.00 0.00 N ATOM 1323 CA GLN A 81 -0.357 4.233 12.792 1.00 0.00 C ATOM 1324 C GLN A 81 -1.173 5.279 12.033 1.00 0.00 C ATOM 1325 O GLN A 81 -2.325 5.031 11.682 1.00 0.00 O ATOM 1326 CB GLN A 81 -0.406 4.543 14.289 1.00 0.00 C ATOM 1327 CG GLN A 81 0.099 3.410 15.167 1.00 0.00 C ATOM 1328 CD GLN A 81 0.112 3.778 16.638 1.00 0.00 C ATOM 1329 OE1 GLN A 81 -0.876 3.589 17.345 1.00 0.00 O ATOM 1330 NE2 GLN A 81 1.238 4.305 17.107 1.00 0.00 N ATOM 0 H GLN A 81 1.709 4.411 13.072 1.00 0.00 H new ATOM 0 HA GLN A 81 -0.800 3.258 12.590 1.00 0.00 H new ATOM 0 HB2 GLN A 81 0.189 5.435 14.485 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -1.433 4.777 14.569 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -0.531 2.533 15.021 1.00 0.00 H new ATOM 0 HG3 GLN A 81 1.107 3.135 14.856 1.00 0.00 H new ATOM 0 HE21 GLN A 81 2.034 4.444 16.484 1.00 0.00 H new ATOM 0 HE22 GLN A 81 1.306 4.570 18.090 1.00 0.00 H new ATOM 1339 N ALA A 82 -0.575 6.452 11.800 1.00 0.00 N ATOM 1340 CA ALA A 82 -1.248 7.537 11.082 1.00 0.00 C ATOM 1341 C ALA A 82 -1.651 7.091 9.680 1.00 0.00 C ATOM 1342 O ALA A 82 -2.684 7.505 9.153 1.00 0.00 O ATOM 1343 CB ALA A 82 -0.344 8.760 11.015 1.00 0.00 C ATOM 0 H ALA A 82 0.375 6.673 12.099 1.00 0.00 H new ATOM 0 HA ALA A 82 -2.155 7.801 11.626 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -0.854 9.561 10.479 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -0.107 9.093 12.025 1.00 0.00 H new ATOM 0 HB3 ALA A 82 0.577 8.503 10.492 1.00 0.00 H new ATOM 1349 N LEU A 83 -0.817 6.243 9.092 1.00 0.00 N ATOM 1350 CA LEU A 83 -1.056 5.709 7.760 1.00 0.00 C ATOM 1351 C LEU A 83 -2.171 4.665 7.793 1.00 0.00 C ATOM 1352 O LEU A 83 -3.004 4.601 6.891 1.00 0.00 O ATOM 1353 CB LEU A 83 0.230 5.070 7.228 1.00 0.00 C ATOM 1354 CG LEU A 83 1.245 6.042 6.620 1.00 0.00 C ATOM 1355 CD1 LEU A 83 2.091 6.686 7.707 1.00 0.00 C ATOM 1356 CD2 LEU A 83 2.133 5.318 5.620 1.00 0.00 C ATOM 0 H LEU A 83 0.043 5.907 9.526 1.00 0.00 H new ATOM 0 HA LEU A 83 -1.361 6.525 7.104 1.00 0.00 H new ATOM 0 HB2 LEU A 83 0.712 4.531 8.044 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -0.037 4.331 6.472 1.00 0.00 H new ATOM 0 HG LEU A 83 0.699 6.829 6.100 1.00 0.00 H new ATOM 0 HD11 LEU A 83 2.805 7.373 7.253 1.00 0.00 H new ATOM 0 HD12 LEU A 83 1.446 7.235 8.393 1.00 0.00 H new ATOM 0 HD13 LEU A 83 2.629 5.913 8.255 1.00 0.00 H new ATOM 0 HD21 LEU A 83 2.850 6.020 5.195 1.00 0.00 H new ATOM 0 HD22 LEU A 83 2.668 4.514 6.124 1.00 0.00 H new ATOM 0 HD23 LEU A 83 1.518 4.901 4.823 1.00 0.00 H new ATOM 1368 N ALA A 84 -2.178 3.861 8.858 1.00 0.00 N ATOM 1369 CA ALA A 84 -3.163 2.795 9.030 1.00 0.00 C ATOM 1370 C ALA A 84 -4.564 3.335 9.314 1.00 0.00 C ATOM 1371 O ALA A 84 -5.553 2.646 9.075 1.00 0.00 O ATOM 1372 CB ALA A 84 -2.719 1.856 10.143 1.00 0.00 C ATOM 0 H ALA A 84 -1.504 3.931 9.621 1.00 0.00 H new ATOM 0 HA ALA A 84 -3.220 2.247 8.090 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -3.457 1.064 10.267 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -1.755 1.417 9.886 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -2.627 2.414 11.075 1.00 0.00 H new ATOM 1378 N ASP A 85 -4.648 4.560 9.827 1.00 0.00 N ATOM 1379 CA ASP A 85 -5.938 5.176 10.133 1.00 0.00 C ATOM 1380 C ASP A 85 -6.565 5.792 8.884 1.00 0.00 C ATOM 1381 O ASP A 85 -7.789 5.897 8.778 1.00 0.00 O ATOM 1382 CB ASP A 85 -5.771 6.247 11.213 1.00 0.00 C ATOM 1383 CG ASP A 85 -7.020 6.420 12.056 1.00 0.00 C ATOM 1384 OD1 ASP A 85 -7.195 5.646 13.021 1.00 0.00 O ATOM 1385 OD2 ASP A 85 -7.823 7.327 11.752 1.00 0.00 O ATOM 0 H ASP A 85 -3.840 5.145 10.039 1.00 0.00 H new ATOM 0 HA ASP A 85 -6.603 4.395 10.501 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -4.935 5.980 11.859 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -5.520 7.197 10.742 1.00 0.00 H new ATOM 1390 N LYS A 86 -5.720 6.186 7.936 1.00 0.00 N ATOM 1391 CA LYS A 86 -6.188 6.804 6.701 1.00 0.00 C ATOM 1392 C LYS A 86 -6.786 5.777 5.740 1.00 0.00 C ATOM 1393 O LYS A 86 -7.902 5.960 5.255 1.00 0.00 O ATOM 1394 CB LYS A 86 -5.042 7.563 6.026 1.00 0.00 C ATOM 1395 CG LYS A 86 -4.704 8.878 6.712 1.00 0.00 C ATOM 1396 CD LYS A 86 -3.588 9.619 5.993 1.00 0.00 C ATOM 1397 CE LYS A 86 -3.238 10.923 6.697 1.00 0.00 C ATOM 1398 NZ LYS A 86 -2.160 11.667 5.987 1.00 0.00 N ATOM 0 H LYS A 86 -4.707 6.088 8.000 1.00 0.00 H new ATOM 0 HA LYS A 86 -6.981 7.506 6.961 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -4.155 6.930 6.012 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -5.308 7.761 4.988 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -5.593 9.507 6.749 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -4.407 8.684 7.743 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -2.704 8.984 5.941 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -3.891 9.828 4.967 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -4.128 11.549 6.764 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -2.920 10.710 7.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -1.952 12.548 6.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -1.303 11.080 5.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -2.472 11.893 5.021 1.00 0.00 H new ATOM 1412 N LEU A 87 -6.054 4.695 5.475 1.00 0.00 N ATOM 1413 CA LEU A 87 -6.533 3.663 4.555 1.00 0.00 C ATOM 1414 C LEU A 87 -7.719 2.891 5.132 1.00 0.00 C ATOM 1415 O LEU A 87 -8.567 2.407 4.382 1.00 0.00 O ATOM 1416 CB LEU A 87 -5.405 2.689 4.179 1.00 0.00 C ATOM 1417 CG LEU A 87 -4.559 2.157 5.343 1.00 0.00 C ATOM 1418 CD1 LEU A 87 -5.073 0.805 5.813 1.00 0.00 C ATOM 1419 CD2 LEU A 87 -3.101 2.046 4.926 1.00 0.00 C ATOM 0 H LEU A 87 -5.136 4.511 5.880 1.00 0.00 H new ATOM 0 HA LEU A 87 -6.870 4.176 3.654 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -5.845 1.839 3.658 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -4.742 3.188 3.472 1.00 0.00 H new ATOM 0 HG LEU A 87 -4.638 2.861 6.171 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -4.457 0.449 6.639 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -6.106 0.905 6.147 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -5.025 0.092 4.990 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -2.512 1.667 5.761 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -3.015 1.362 4.082 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -2.730 3.029 4.636 1.00 0.00 H new ATOM 1431 N ASN A 88 -7.784 2.790 6.461 1.00 0.00 N ATOM 1432 CA ASN A 88 -8.865 2.063 7.124 1.00 0.00 C ATOM 1433 C ASN A 88 -10.209 2.762 6.939 1.00 0.00 C ATOM 1434 O ASN A 88 -11.235 2.107 6.771 1.00 0.00 O ATOM 1435 CB ASN A 88 -8.570 1.904 8.614 1.00 0.00 C ATOM 1436 CG ASN A 88 -9.206 0.656 9.196 1.00 0.00 C ATOM 1437 OD1 ASN A 88 -10.354 0.678 9.639 1.00 0.00 O ATOM 1438 ND2 ASN A 88 -8.461 -0.440 9.198 1.00 0.00 N ATOM 0 H ASN A 88 -7.102 3.202 7.097 1.00 0.00 H new ATOM 0 HA ASN A 88 -8.925 1.078 6.660 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -7.491 1.865 8.767 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -8.936 2.780 9.150 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -8.835 -1.310 9.577 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -7.514 -0.413 8.821 1.00 0.00 H new ATOM 1445 N LYS A 89 -10.197 4.090 6.961 1.00 0.00 N ATOM 1446 CA LYS A 89 -11.422 4.861 6.807 1.00 0.00 C ATOM 1447 C LYS A 89 -11.950 4.795 5.377 1.00 0.00 C ATOM 1448 O LYS A 89 -13.158 4.831 5.153 1.00 0.00 O ATOM 1449 CB LYS A 89 -11.192 6.317 7.214 1.00 0.00 C ATOM 1450 CG LYS A 89 -12.440 6.986 7.760 1.00 0.00 C ATOM 1451 CD LYS A 89 -12.209 8.454 8.071 1.00 0.00 C ATOM 1452 CE LYS A 89 -13.491 9.115 8.547 1.00 0.00 C ATOM 1453 NZ LYS A 89 -14.449 9.337 7.429 1.00 0.00 N ATOM 0 H LYS A 89 -9.355 4.652 7.084 1.00 0.00 H new ATOM 0 HA LYS A 89 -12.172 4.421 7.464 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -10.406 6.358 7.968 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -10.835 6.878 6.350 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -13.248 6.892 7.035 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -12.762 6.470 8.665 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -11.439 8.551 8.836 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -11.840 8.965 7.181 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -13.960 8.492 9.309 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -13.254 10.069 9.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -15.250 9.909 7.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -13.968 9.837 6.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -14.799 8.420 7.085 1.00 0.00 H new ATOM 1467 N TYR A 90 -11.036 4.698 4.416 1.00 0.00 N ATOM 1468 CA TYR A 90 -11.408 4.634 3.006 1.00 0.00 C ATOM 1469 C TYR A 90 -12.040 3.291 2.638 1.00 0.00 C ATOM 1470 O TYR A 90 -12.953 3.238 1.813 1.00 0.00 O ATOM 1471 CB TYR A 90 -10.185 4.905 2.129 1.00 0.00 C ATOM 1472 CG TYR A 90 -9.938 6.376 1.895 1.00 0.00 C ATOM 1473 CD1 TYR A 90 -10.652 7.075 0.932 1.00 0.00 C ATOM 1474 CD2 TYR A 90 -8.995 7.069 2.643 1.00 0.00 C ATOM 1475 CE1 TYR A 90 -10.433 8.423 0.721 1.00 0.00 C ATOM 1476 CE2 TYR A 90 -8.768 8.416 2.439 1.00 0.00 C ATOM 1477 CZ TYR A 90 -9.489 9.088 1.478 1.00 0.00 C ATOM 1478 OH TYR A 90 -9.263 10.431 1.274 1.00 0.00 O ATOM 0 H TYR A 90 -10.031 4.662 4.588 1.00 0.00 H new ATOM 0 HA TYR A 90 -12.159 5.404 2.828 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -9.305 4.465 2.598 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -10.317 4.408 1.168 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -11.391 6.557 0.338 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -8.429 6.545 3.398 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -10.997 8.953 -0.032 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -8.030 8.939 3.029 1.00 0.00 H new ATOM 0 HH TYR A 90 -8.568 10.743 1.891 1.00 0.00 H new ATOM 1488 N LEU A 91 -11.560 2.207 3.246 1.00 0.00 N ATOM 1489 CA LEU A 91 -12.095 0.878 2.958 1.00 0.00 C ATOM 1490 C LEU A 91 -13.415 0.640 3.688 1.00 0.00 C ATOM 1491 O LEU A 91 -14.329 0.017 3.148 1.00 0.00 O ATOM 1492 CB LEU A 91 -11.063 -0.207 3.301 1.00 0.00 C ATOM 1493 CG LEU A 91 -10.740 -0.409 4.785 1.00 0.00 C ATOM 1494 CD1 LEU A 91 -11.533 -1.575 5.358 1.00 0.00 C ATOM 1495 CD2 LEU A 91 -9.250 -0.657 4.963 1.00 0.00 C ATOM 0 H LEU A 91 -10.808 2.222 3.935 1.00 0.00 H new ATOM 0 HA LEU A 91 -12.301 0.822 1.889 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -11.421 -1.155 2.899 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -10.135 0.030 2.781 1.00 0.00 H new ATOM 0 HG LEU A 91 -11.021 0.496 5.324 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -11.287 -1.699 6.413 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -12.600 -1.375 5.255 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -11.281 -2.487 4.817 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -9.029 -0.800 6.021 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -8.961 -1.550 4.408 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -8.691 0.200 4.588 1.00 0.00 H new ATOM 1507 N THR A 92 -13.507 1.140 4.915 1.00 0.00 N ATOM 1508 CA THR A 92 -14.726 0.998 5.713 1.00 0.00 C ATOM 1509 C THR A 92 -15.700 2.149 5.454 1.00 0.00 C ATOM 1510 O THR A 92 -16.642 2.358 6.221 1.00 0.00 O ATOM 1511 CB THR A 92 -14.437 0.910 7.228 1.00 0.00 C ATOM 1512 OG1 THR A 92 -13.169 0.287 7.459 1.00 0.00 O ATOM 1513 CG2 THR A 92 -15.529 0.116 7.934 1.00 0.00 C ATOM 0 H THR A 92 -12.755 1.647 5.381 1.00 0.00 H new ATOM 0 HA THR A 92 -15.180 0.059 5.397 1.00 0.00 H new ATOM 0 HB THR A 92 -14.417 1.923 7.629 1.00 0.00 H new ATOM 0 HG1 THR A 92 -12.457 0.955 7.376 1.00 0.00 H new ATOM 0 HG21 THR A 92 -15.309 0.064 9.000 1.00 0.00 H new ATOM 0 HG22 THR A 92 -16.490 0.608 7.785 1.00 0.00 H new ATOM 0 HG23 THR A 92 -15.570 -0.892 7.522 1.00 0.00 H new ATOM 1521 N LEU A 93 -15.452 2.907 4.382 1.00 0.00 N ATOM 1522 CA LEU A 93 -16.308 4.034 4.011 1.00 0.00 C ATOM 1523 C LEU A 93 -17.772 3.605 3.943 1.00 0.00 C ATOM 1524 O LEU A 93 -18.653 4.295 4.457 1.00 0.00 O ATOM 1525 CB LEU A 93 -15.878 4.609 2.660 1.00 0.00 C ATOM 1526 CG LEU A 93 -16.245 6.077 2.431 1.00 0.00 C ATOM 1527 CD1 LEU A 93 -15.215 6.993 3.074 1.00 0.00 C ATOM 1528 CD2 LEU A 93 -16.363 6.371 0.942 1.00 0.00 C ATOM 0 H LEU A 93 -14.662 2.758 3.755 1.00 0.00 H new ATOM 0 HA LEU A 93 -16.203 4.802 4.777 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -14.797 4.502 2.565 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -16.329 4.011 1.868 1.00 0.00 H new ATOM 0 HG LEU A 93 -17.212 6.266 2.898 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -15.494 8.032 2.900 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -15.177 6.802 4.146 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -14.235 6.802 2.637 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -16.625 7.419 0.798 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -15.411 6.164 0.454 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -17.138 5.740 0.507 1.00 0.00 H new ATOM 1540 N GLU A 94 -18.017 2.458 3.316 1.00 0.00 N ATOM 1541 CA GLU A 94 -19.369 1.929 3.189 1.00 0.00 C ATOM 1542 C GLU A 94 -19.375 0.415 3.380 1.00 0.00 C ATOM 1543 O GLU A 94 -20.125 -0.066 4.257 1.00 0.00 O ATOM 1544 CB GLU A 94 -19.959 2.299 1.823 1.00 0.00 C ATOM 1545 CG GLU A 94 -20.492 3.723 1.751 1.00 0.00 C ATOM 1546 CD GLU A 94 -21.084 4.058 0.397 1.00 0.00 C ATOM 1547 OE1 GLU A 94 -20.319 4.471 -0.499 1.00 0.00 O ATOM 1548 OE2 GLU A 94 -22.315 3.910 0.232 1.00 0.00 O ATOM 0 H GLU A 94 -17.296 1.878 2.888 1.00 0.00 H new ATOM 0 HA GLU A 94 -19.988 2.374 3.968 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -19.193 2.168 1.059 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -20.766 1.606 1.586 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -21.252 3.861 2.520 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -19.684 4.421 1.972 1.00 0.00 H new TER 1555 GLU A 94