USER MOD reduce.3.24.130724 H: found=0, std=0, add=750, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 750 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 62 TYR OH : rot -114:sc= 0.303 USER MOD Set 1.2: A 87 TYR OH : rot 180:sc= 0.273 USER MOD Set 2.1: A 57 ASN : amide:sc= -8.19! C(o=-10!,f=-27!) USER MOD Set 2.2: A 60 MET CE :methyl -109:sc= -2.18 (180deg=-4.4!) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -2.2 K(o=-2.2,f=-15!) USER MOD Single : A 26 CYS SG : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -0.0164 X(o=-0.016,f=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 162:sc= -0.0353 (180deg=-0.272) USER MOD Single : A 50 MET CE :methyl -154:sc= -2.57! (180deg=-3.73!) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 LYS NZ :NH3+ -156:sc=-0.00689 (180deg=-0.325) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ -145:sc= -0.271 (180deg=-0.58) USER MOD Single : A 66 SER OG : rot -78:sc= 0.142 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot 110:sc= 0.271 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot -140:sc= -1.06 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 HIS : no HD1:sc= -0.822 K(o=-0.82,f=-1.9!) USER MOD Single : A 97 GLN : amide:sc= -0.0362 X(o=-0.036,f=0) USER MOD ----------------------------------------------------------------- ATOM 105 N LEU A 11 25.210 -10.252 -1.304 1.00 0.00 N ATOM 106 CA LEU A 11 25.884 -11.300 -2.063 1.00 0.00 C ATOM 107 C LEU A 11 25.142 -12.626 -1.936 1.00 0.00 C ATOM 108 O LEU A 11 24.612 -13.149 -2.916 1.00 0.00 O ATOM 109 CB LEU A 11 27.326 -11.460 -1.580 1.00 0.00 C ATOM 110 CG LEU A 11 28.190 -12.450 -2.363 1.00 0.00 C ATOM 111 CD1 LEU A 11 28.109 -13.836 -1.742 1.00 0.00 C ATOM 112 CD2 LEU A 11 27.762 -12.492 -3.823 1.00 0.00 C ATOM 0 HA LEU A 11 25.890 -11.008 -3.113 1.00 0.00 H new ATOM 0 HB2 LEU A 11 27.809 -10.483 -1.611 1.00 0.00 H new ATOM 0 HB3 LEU A 11 27.306 -11.773 -0.536 1.00 0.00 H new ATOM 0 HG LEU A 11 29.226 -12.114 -2.318 1.00 0.00 H new ATOM 0 HD11 LEU A 11 28.730 -14.527 -2.312 1.00 0.00 H new ATOM 0 HD12 LEU A 11 28.464 -13.795 -0.712 1.00 0.00 H new ATOM 0 HD13 LEU A 11 27.075 -14.181 -1.756 1.00 0.00 H new ATOM 0 HD21 LEU A 11 28.387 -13.201 -4.365 1.00 0.00 H new ATOM 0 HD22 LEU A 11 26.720 -12.804 -3.888 1.00 0.00 H new ATOM 0 HD23 LEU A 11 27.872 -11.501 -4.263 1.00 0.00 H new ATOM 124 N TRP A 12 25.107 -13.164 -0.722 1.00 0.00 N ATOM 125 CA TRP A 12 24.429 -14.430 -0.466 1.00 0.00 C ATOM 126 C TRP A 12 23.063 -14.461 -1.143 1.00 0.00 C ATOM 127 O TRP A 12 22.625 -15.504 -1.627 1.00 0.00 O ATOM 128 CB TRP A 12 24.271 -14.652 1.039 1.00 0.00 C ATOM 129 CG TRP A 12 23.078 -13.955 1.620 1.00 0.00 C ATOM 130 CD1 TRP A 12 23.060 -12.735 2.234 1.00 0.00 C ATOM 131 CD2 TRP A 12 21.730 -14.438 1.644 1.00 0.00 C ATOM 132 NE1 TRP A 12 21.782 -12.431 2.638 1.00 0.00 N ATOM 133 CE2 TRP A 12 20.948 -13.459 2.287 1.00 0.00 C ATOM 134 CE3 TRP A 12 21.108 -15.601 1.182 1.00 0.00 C ATOM 135 CZ2 TRP A 12 19.577 -13.610 2.479 1.00 0.00 C ATOM 136 CZ3 TRP A 12 19.747 -15.749 1.375 1.00 0.00 C ATOM 137 CH2 TRP A 12 18.994 -14.758 2.018 1.00 0.00 C ATOM 0 H TRP A 12 25.540 -12.744 0.100 1.00 0.00 H new ATOM 0 HA TRP A 12 25.039 -15.232 -0.882 1.00 0.00 H new ATOM 0 HB2 TRP A 12 24.189 -15.721 1.235 1.00 0.00 H new ATOM 0 HB3 TRP A 12 25.170 -14.303 1.547 1.00 0.00 H new ATOM 0 HD1 TRP A 12 23.923 -12.102 2.380 1.00 0.00 H new ATOM 0 HE1 TRP A 12 21.500 -11.578 3.121 1.00 0.00 H new ATOM 0 HE3 TRP A 12 21.680 -16.370 0.684 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 18.995 -12.847 2.975 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 19.256 -16.644 1.024 1.00 0.00 H new ATOM 0 HH2 TRP A 12 17.932 -14.903 2.152 1.00 0.00 H new ATOM 148 N GLU A 13 22.395 -13.312 -1.174 1.00 0.00 N ATOM 149 CA GLU A 13 21.079 -13.210 -1.792 1.00 0.00 C ATOM 150 C GLU A 13 21.191 -13.210 -3.314 1.00 0.00 C ATOM 151 O GLU A 13 20.344 -13.771 -4.010 1.00 0.00 O ATOM 152 CB GLU A 13 20.366 -11.940 -1.322 1.00 0.00 C ATOM 153 CG GLU A 13 19.334 -12.188 -0.235 1.00 0.00 C ATOM 154 CD GLU A 13 18.079 -11.359 -0.422 1.00 0.00 C ATOM 155 OE1 GLU A 13 18.196 -10.193 -0.855 1.00 0.00 O ATOM 156 OE2 GLU A 13 16.979 -11.876 -0.136 1.00 0.00 O ATOM 0 H GLU A 13 22.744 -12.439 -0.778 1.00 0.00 H new ATOM 0 HA GLU A 13 20.495 -14.079 -1.488 1.00 0.00 H new ATOM 0 HB2 GLU A 13 21.108 -11.233 -0.952 1.00 0.00 H new ATOM 0 HB3 GLU A 13 19.877 -11.471 -2.176 1.00 0.00 H new ATOM 0 HG2 GLU A 13 19.069 -13.245 -0.226 1.00 0.00 H new ATOM 0 HG3 GLU A 13 19.773 -11.961 0.736 1.00 0.00 H new ATOM 163 N PHE A 14 22.241 -12.576 -3.824 1.00 0.00 N ATOM 164 CA PHE A 14 22.464 -12.500 -5.263 1.00 0.00 C ATOM 165 C PHE A 14 22.704 -13.888 -5.850 1.00 0.00 C ATOM 166 O PHE A 14 22.008 -14.314 -6.772 1.00 0.00 O ATOM 167 CB PHE A 14 23.657 -11.592 -5.569 1.00 0.00 C ATOM 168 CG PHE A 14 24.291 -11.864 -6.903 1.00 0.00 C ATOM 169 CD1 PHE A 14 25.277 -12.828 -7.033 1.00 0.00 C ATOM 170 CD2 PHE A 14 23.900 -11.155 -8.028 1.00 0.00 C ATOM 171 CE1 PHE A 14 25.863 -13.081 -8.259 1.00 0.00 C ATOM 172 CE2 PHE A 14 24.482 -11.404 -9.257 1.00 0.00 C ATOM 173 CZ PHE A 14 25.465 -12.367 -9.372 1.00 0.00 C ATOM 0 H PHE A 14 22.951 -12.107 -3.262 1.00 0.00 H new ATOM 0 HA PHE A 14 21.569 -12.080 -5.722 1.00 0.00 H new ATOM 0 HB2 PHE A 14 23.330 -10.553 -5.536 1.00 0.00 H new ATOM 0 HB3 PHE A 14 24.407 -11.715 -4.788 1.00 0.00 H new ATOM 0 HD1 PHE A 14 25.592 -13.389 -6.166 1.00 0.00 H new ATOM 0 HD2 PHE A 14 23.132 -10.400 -7.944 1.00 0.00 H new ATOM 0 HE1 PHE A 14 26.631 -13.836 -8.346 1.00 0.00 H new ATOM 0 HE2 PHE A 14 24.168 -10.846 -10.127 1.00 0.00 H new ATOM 0 HZ PHE A 14 25.922 -12.561 -10.331 1.00 0.00 H new ATOM 183 N VAL A 15 23.694 -14.590 -5.309 1.00 0.00 N ATOM 184 CA VAL A 15 24.027 -15.930 -5.777 1.00 0.00 C ATOM 185 C VAL A 15 22.834 -16.871 -5.643 1.00 0.00 C ATOM 186 O VAL A 15 22.595 -17.713 -6.508 1.00 0.00 O ATOM 187 CB VAL A 15 25.219 -16.517 -4.999 1.00 0.00 C ATOM 188 CG1 VAL A 15 24.951 -16.479 -3.502 1.00 0.00 C ATOM 189 CG2 VAL A 15 25.509 -17.937 -5.461 1.00 0.00 C ATOM 0 H VAL A 15 24.280 -14.253 -4.545 1.00 0.00 H new ATOM 0 HA VAL A 15 24.299 -15.839 -6.829 1.00 0.00 H new ATOM 0 HB VAL A 15 26.099 -15.906 -5.202 1.00 0.00 H new ATOM 0 HG11 VAL A 15 25.804 -16.898 -2.969 1.00 0.00 H new ATOM 0 HG12 VAL A 15 24.797 -15.447 -3.186 1.00 0.00 H new ATOM 0 HG13 VAL A 15 24.060 -17.065 -3.277 1.00 0.00 H new ATOM 0 HG21 VAL A 15 26.354 -18.336 -4.901 1.00 0.00 H new ATOM 0 HG22 VAL A 15 24.632 -18.562 -5.290 1.00 0.00 H new ATOM 0 HG23 VAL A 15 25.748 -17.932 -6.524 1.00 0.00 H new ATOM 199 N ARG A 16 22.088 -16.720 -4.554 1.00 0.00 N ATOM 200 CA ARG A 16 20.920 -17.556 -4.306 1.00 0.00 C ATOM 201 C ARG A 16 19.808 -17.246 -5.304 1.00 0.00 C ATOM 202 O ARG A 16 19.308 -18.139 -5.988 1.00 0.00 O ATOM 203 CB ARG A 16 20.411 -17.348 -2.878 1.00 0.00 C ATOM 204 CG ARG A 16 19.144 -18.127 -2.564 1.00 0.00 C ATOM 205 CD ARG A 16 18.045 -17.214 -2.041 1.00 0.00 C ATOM 206 NE ARG A 16 17.629 -16.231 -3.038 1.00 0.00 N ATOM 207 CZ ARG A 16 16.696 -15.312 -2.819 1.00 0.00 C ATOM 208 NH1 ARG A 16 16.086 -15.249 -1.643 1.00 0.00 N ATOM 209 NH2 ARG A 16 16.372 -14.452 -3.776 1.00 0.00 N ATOM 0 H ARG A 16 22.272 -16.026 -3.829 1.00 0.00 H new ATOM 0 HA ARG A 16 21.217 -18.597 -4.430 1.00 0.00 H new ATOM 0 HB2 ARG A 16 21.192 -17.642 -2.176 1.00 0.00 H new ATOM 0 HB3 ARG A 16 20.223 -16.286 -2.719 1.00 0.00 H new ATOM 0 HG2 ARG A 16 18.797 -18.638 -3.462 1.00 0.00 H new ATOM 0 HG3 ARG A 16 19.363 -18.897 -1.824 1.00 0.00 H new ATOM 0 HD2 ARG A 16 17.185 -17.815 -1.744 1.00 0.00 H new ATOM 0 HD3 ARG A 16 18.397 -16.698 -1.148 1.00 0.00 H new ATOM 0 HE ARG A 16 18.080 -16.252 -3.953 1.00 0.00 H new ATOM 0 HH11 ARG A 16 16.333 -15.907 -0.904 1.00 0.00 H new ATOM 0 HH12 ARG A 16 15.370 -14.542 -1.477 1.00 0.00 H new ATOM 0 HH21 ARG A 16 16.840 -14.496 -4.681 1.00 0.00 H new ATOM 0 HH22 ARG A 16 15.655 -13.747 -3.606 1.00 0.00 H new ATOM 223 N ASP A 17 19.426 -15.976 -5.381 1.00 0.00 N ATOM 224 CA ASP A 17 18.374 -15.548 -6.295 1.00 0.00 C ATOM 225 C ASP A 17 18.597 -16.126 -7.689 1.00 0.00 C ATOM 226 O ASP A 17 17.648 -16.514 -8.372 1.00 0.00 O ATOM 227 CB ASP A 17 18.319 -14.022 -6.365 1.00 0.00 C ATOM 228 CG ASP A 17 17.044 -13.517 -7.011 1.00 0.00 C ATOM 229 OD1 ASP A 17 15.999 -13.504 -6.329 1.00 0.00 O ATOM 230 OD2 ASP A 17 17.092 -13.135 -8.200 1.00 0.00 O ATOM 0 H ASP A 17 19.829 -15.225 -4.821 1.00 0.00 H new ATOM 0 HA ASP A 17 17.423 -15.921 -5.915 1.00 0.00 H new ATOM 0 HB2 ASP A 17 18.400 -13.612 -5.358 1.00 0.00 H new ATOM 0 HB3 ASP A 17 19.178 -13.656 -6.928 1.00 0.00 H new ATOM 235 N LEU A 18 19.857 -16.180 -8.107 1.00 0.00 N ATOM 236 CA LEU A 18 20.206 -16.709 -9.421 1.00 0.00 C ATOM 237 C LEU A 18 19.671 -18.127 -9.596 1.00 0.00 C ATOM 238 O LEU A 18 19.195 -18.494 -10.671 1.00 0.00 O ATOM 239 CB LEU A 18 21.724 -16.697 -9.611 1.00 0.00 C ATOM 240 CG LEU A 18 22.330 -15.376 -10.085 1.00 0.00 C ATOM 241 CD1 LEU A 18 23.789 -15.278 -9.667 1.00 0.00 C ATOM 242 CD2 LEU A 18 22.195 -15.239 -11.594 1.00 0.00 C ATOM 0 H LEU A 18 20.654 -15.864 -7.555 1.00 0.00 H new ATOM 0 HA LEU A 18 19.747 -16.071 -10.176 1.00 0.00 H new ATOM 0 HB2 LEU A 18 22.191 -16.969 -8.664 1.00 0.00 H new ATOM 0 HB3 LEU A 18 21.986 -17.473 -10.330 1.00 0.00 H new ATOM 0 HG LEU A 18 21.783 -14.558 -9.616 1.00 0.00 H new ATOM 0 HD11 LEU A 18 24.204 -14.331 -10.013 1.00 0.00 H new ATOM 0 HD12 LEU A 18 23.861 -15.330 -8.581 1.00 0.00 H new ATOM 0 HD13 LEU A 18 24.350 -16.102 -10.107 1.00 0.00 H new ATOM 0 HD21 LEU A 18 22.632 -14.293 -11.914 1.00 0.00 H new ATOM 0 HD22 LEU A 18 22.716 -16.063 -12.082 1.00 0.00 H new ATOM 0 HD23 LEU A 18 21.140 -15.263 -11.869 1.00 0.00 H new ATOM 254 N LEU A 19 19.751 -18.919 -8.532 1.00 0.00 N ATOM 255 CA LEU A 19 19.272 -20.297 -8.567 1.00 0.00 C ATOM 256 C LEU A 19 17.762 -20.344 -8.774 1.00 0.00 C ATOM 257 O LEU A 19 17.254 -21.169 -9.535 1.00 0.00 O ATOM 258 CB LEU A 19 19.644 -21.019 -7.270 1.00 0.00 C ATOM 259 CG LEU A 19 21.107 -21.443 -7.133 1.00 0.00 C ATOM 260 CD1 LEU A 19 21.535 -21.418 -5.675 1.00 0.00 C ATOM 261 CD2 LEU A 19 21.319 -22.826 -7.730 1.00 0.00 C ATOM 0 H LEU A 19 20.143 -18.631 -7.635 1.00 0.00 H new ATOM 0 HA LEU A 19 19.750 -20.801 -9.407 1.00 0.00 H new ATOM 0 HB2 LEU A 19 19.395 -20.369 -6.432 1.00 0.00 H new ATOM 0 HB3 LEU A 19 19.019 -21.908 -7.180 1.00 0.00 H new ATOM 0 HG LEU A 19 21.725 -20.733 -7.683 1.00 0.00 H new ATOM 0 HD11 LEU A 19 22.579 -21.723 -5.597 1.00 0.00 H new ATOM 0 HD12 LEU A 19 21.421 -20.409 -5.280 1.00 0.00 H new ATOM 0 HD13 LEU A 19 20.913 -22.105 -5.101 1.00 0.00 H new ATOM 0 HD21 LEU A 19 22.366 -23.112 -7.624 1.00 0.00 H new ATOM 0 HD22 LEU A 19 20.691 -23.548 -7.208 1.00 0.00 H new ATOM 0 HD23 LEU A 19 21.053 -22.811 -8.787 1.00 0.00 H new ATOM 273 N LEU A 20 17.049 -19.453 -8.093 1.00 0.00 N ATOM 274 CA LEU A 20 15.596 -19.391 -8.204 1.00 0.00 C ATOM 275 C LEU A 20 15.177 -18.640 -9.464 1.00 0.00 C ATOM 276 O LEU A 20 14.026 -18.721 -9.894 1.00 0.00 O ATOM 277 CB LEU A 20 14.999 -18.713 -6.970 1.00 0.00 C ATOM 278 CG LEU A 20 15.633 -19.082 -5.628 1.00 0.00 C ATOM 279 CD1 LEU A 20 14.880 -18.424 -4.482 1.00 0.00 C ATOM 280 CD2 LEU A 20 15.664 -20.593 -5.451 1.00 0.00 C ATOM 0 H LEU A 20 17.453 -18.764 -7.459 1.00 0.00 H new ATOM 0 HA LEU A 20 15.218 -20.411 -8.269 1.00 0.00 H new ATOM 0 HB2 LEU A 20 15.076 -17.634 -7.101 1.00 0.00 H new ATOM 0 HB3 LEU A 20 13.937 -18.954 -6.926 1.00 0.00 H new ATOM 0 HG LEU A 20 16.659 -18.714 -5.619 1.00 0.00 H new ATOM 0 HD11 LEU A 20 15.346 -18.698 -3.536 1.00 0.00 H new ATOM 0 HD12 LEU A 20 14.910 -17.341 -4.601 1.00 0.00 H new ATOM 0 HD13 LEU A 20 13.843 -18.761 -4.487 1.00 0.00 H new ATOM 0 HD21 LEU A 20 16.118 -20.838 -4.491 1.00 0.00 H new ATOM 0 HD22 LEU A 20 14.647 -20.984 -5.481 1.00 0.00 H new ATOM 0 HD23 LEU A 20 16.249 -21.041 -6.254 1.00 0.00 H new ATOM 292 N SER A 21 16.119 -17.910 -10.052 1.00 0.00 N ATOM 293 CA SER A 21 15.848 -17.142 -11.262 1.00 0.00 C ATOM 294 C SER A 21 16.656 -17.681 -12.439 1.00 0.00 C ATOM 295 O SER A 21 17.712 -17.155 -12.792 1.00 0.00 O ATOM 296 CB SER A 21 16.174 -15.665 -11.038 1.00 0.00 C ATOM 297 OG SER A 21 15.137 -15.016 -10.322 1.00 0.00 O ATOM 0 H SER A 21 17.077 -17.834 -9.710 1.00 0.00 H new ATOM 0 HA SER A 21 14.788 -17.240 -11.496 1.00 0.00 H new ATOM 0 HB2 SER A 21 17.111 -15.576 -10.488 1.00 0.00 H new ATOM 0 HB3 SER A 21 16.320 -15.172 -11.999 1.00 0.00 H new ATOM 0 HG SER A 21 15.371 -14.073 -10.190 1.00 0.00 H new ATOM 303 N PRO A 22 16.148 -18.755 -13.062 1.00 0.00 N ATOM 304 CA PRO A 22 16.805 -19.388 -14.209 1.00 0.00 C ATOM 305 C PRO A 22 16.755 -18.518 -15.459 1.00 0.00 C ATOM 306 O PRO A 22 17.409 -18.813 -16.459 1.00 0.00 O ATOM 307 CB PRO A 22 15.995 -20.671 -14.417 1.00 0.00 C ATOM 308 CG PRO A 22 14.653 -20.368 -13.847 1.00 0.00 C ATOM 309 CD PRO A 22 14.894 -19.433 -12.694 1.00 0.00 C ATOM 0 HA PRO A 22 17.866 -19.561 -14.027 1.00 0.00 H new ATOM 0 HB2 PRO A 22 15.927 -20.929 -15.474 1.00 0.00 H new ATOM 0 HB3 PRO A 22 16.458 -21.518 -13.911 1.00 0.00 H new ATOM 0 HG2 PRO A 22 14.007 -19.908 -14.594 1.00 0.00 H new ATOM 0 HG3 PRO A 22 14.156 -21.279 -13.513 1.00 0.00 H new ATOM 0 HD2 PRO A 22 14.075 -18.725 -12.573 1.00 0.00 H new ATOM 0 HD3 PRO A 22 14.990 -19.973 -11.752 1.00 0.00 H new ATOM 317 N GLU A 23 15.974 -17.443 -15.396 1.00 0.00 N ATOM 318 CA GLU A 23 15.840 -16.530 -16.525 1.00 0.00 C ATOM 319 C GLU A 23 17.032 -15.581 -16.602 1.00 0.00 C ATOM 320 O GLU A 23 17.408 -15.128 -17.682 1.00 0.00 O ATOM 321 CB GLU A 23 14.542 -15.728 -16.408 1.00 0.00 C ATOM 322 CG GLU A 23 13.730 -15.694 -17.692 1.00 0.00 C ATOM 323 CD GLU A 23 12.299 -15.246 -17.466 1.00 0.00 C ATOM 324 OE1 GLU A 23 11.466 -16.092 -17.079 1.00 0.00 O ATOM 325 OE2 GLU A 23 12.013 -14.049 -17.675 1.00 0.00 O ATOM 0 H GLU A 23 15.425 -17.184 -14.576 1.00 0.00 H new ATOM 0 HA GLU A 23 15.811 -17.124 -17.439 1.00 0.00 H new ATOM 0 HB2 GLU A 23 13.931 -16.155 -15.613 1.00 0.00 H new ATOM 0 HB3 GLU A 23 14.781 -14.707 -16.112 1.00 0.00 H new ATOM 0 HG2 GLU A 23 14.209 -15.021 -18.403 1.00 0.00 H new ATOM 0 HG3 GLU A 23 13.729 -16.686 -18.143 1.00 0.00 H new ATOM 332 N GLU A 24 17.621 -15.284 -15.447 1.00 0.00 N ATOM 333 CA GLU A 24 18.769 -14.388 -15.384 1.00 0.00 C ATOM 334 C GLU A 24 20.070 -15.178 -15.273 1.00 0.00 C ATOM 335 O GLU A 24 21.085 -14.809 -15.864 1.00 0.00 O ATOM 336 CB GLU A 24 18.635 -13.434 -14.195 1.00 0.00 C ATOM 337 CG GLU A 24 18.131 -12.053 -14.577 1.00 0.00 C ATOM 338 CD GLU A 24 19.160 -10.967 -14.328 1.00 0.00 C ATOM 339 OE1 GLU A 24 19.246 -10.483 -13.180 1.00 0.00 O ATOM 340 OE2 GLU A 24 19.879 -10.601 -15.281 1.00 0.00 O ATOM 0 H GLU A 24 17.322 -15.651 -14.544 1.00 0.00 H new ATOM 0 HA GLU A 24 18.795 -13.806 -16.306 1.00 0.00 H new ATOM 0 HB2 GLU A 24 17.954 -13.871 -13.464 1.00 0.00 H new ATOM 0 HB3 GLU A 24 19.605 -13.336 -13.708 1.00 0.00 H new ATOM 0 HG2 GLU A 24 17.853 -12.050 -15.631 1.00 0.00 H new ATOM 0 HG3 GLU A 24 17.228 -11.830 -14.009 1.00 0.00 H new ATOM 347 N ASN A 25 20.032 -16.266 -14.511 1.00 0.00 N ATOM 348 CA ASN A 25 21.207 -17.108 -14.320 1.00 0.00 C ATOM 349 C ASN A 25 21.443 -17.997 -15.538 1.00 0.00 C ATOM 350 O ASN A 25 20.536 -18.694 -15.994 1.00 0.00 O ATOM 351 CB ASN A 25 21.044 -17.971 -13.068 1.00 0.00 C ATOM 352 CG ASN A 25 22.117 -19.037 -12.957 1.00 0.00 C ATOM 353 OD1 ASN A 25 23.171 -18.941 -13.586 1.00 0.00 O ATOM 354 ND2 ASN A 25 21.852 -20.062 -12.155 1.00 0.00 N ATOM 0 H ASN A 25 19.200 -16.585 -14.015 1.00 0.00 H new ATOM 0 HA ASN A 25 22.073 -16.458 -14.194 1.00 0.00 H new ATOM 0 HB2 ASN A 25 21.076 -17.334 -12.184 1.00 0.00 H new ATOM 0 HB3 ASN A 25 20.063 -18.447 -13.083 1.00 0.00 H new ATOM 0 HD21 ASN A 25 22.535 -20.811 -12.041 1.00 0.00 H new ATOM 0 HD22 ASN A 25 20.965 -20.101 -11.653 1.00 0.00 H new ATOM 361 N CYS A 26 22.665 -17.967 -16.058 1.00 0.00 N ATOM 362 CA CYS A 26 23.020 -18.770 -17.223 1.00 0.00 C ATOM 363 C CYS A 26 24.090 -19.797 -16.869 1.00 0.00 C ATOM 364 O CYS A 26 25.284 -19.543 -17.023 1.00 0.00 O ATOM 365 CB CYS A 26 23.513 -17.870 -18.357 1.00 0.00 C ATOM 366 SG CYS A 26 22.731 -18.198 -19.953 1.00 0.00 S ATOM 0 H CYS A 26 23.426 -17.396 -15.692 1.00 0.00 H new ATOM 0 HA CYS A 26 22.128 -19.302 -17.554 1.00 0.00 H new ATOM 0 HB2 CYS A 26 23.335 -16.830 -18.084 1.00 0.00 H new ATOM 0 HB3 CYS A 26 24.591 -17.992 -18.461 1.00 0.00 H new ATOM 0 HG CYS A 26 23.212 -17.386 -20.847 1.00 0.00 H new ATOM 372 N GLY A 27 23.654 -20.959 -16.392 1.00 0.00 N ATOM 373 CA GLY A 27 24.588 -22.006 -16.022 1.00 0.00 C ATOM 374 C GLY A 27 25.700 -21.501 -15.124 1.00 0.00 C ATOM 375 O GLY A 27 26.867 -21.838 -15.321 1.00 0.00 O ATOM 0 H GLY A 27 22.671 -21.194 -16.255 1.00 0.00 H new ATOM 0 HA2 GLY A 27 24.050 -22.806 -15.513 1.00 0.00 H new ATOM 0 HA3 GLY A 27 25.022 -22.437 -16.924 1.00 0.00 H new ATOM 379 N ILE A 28 25.338 -20.689 -14.136 1.00 0.00 N ATOM 380 CA ILE A 28 26.314 -20.136 -13.206 1.00 0.00 C ATOM 381 C ILE A 28 26.391 -20.969 -11.930 1.00 0.00 C ATOM 382 O ILE A 28 27.447 -21.070 -11.304 1.00 0.00 O ATOM 383 CB ILE A 28 25.977 -18.680 -12.835 1.00 0.00 C ATOM 384 CG1 ILE A 28 25.762 -17.846 -14.099 1.00 0.00 C ATOM 385 CG2 ILE A 28 27.084 -18.081 -11.980 1.00 0.00 C ATOM 386 CD1 ILE A 28 25.242 -16.452 -13.822 1.00 0.00 C ATOM 0 H ILE A 28 24.376 -20.400 -13.959 1.00 0.00 H new ATOM 0 HA ILE A 28 27.279 -20.159 -13.712 1.00 0.00 H new ATOM 0 HB ILE A 28 25.054 -18.672 -12.256 1.00 0.00 H new ATOM 0 HG12 ILE A 28 26.705 -17.772 -14.641 1.00 0.00 H new ATOM 0 HG13 ILE A 28 25.059 -18.364 -14.751 1.00 0.00 H new ATOM 0 HG21 ILE A 28 26.831 -17.052 -11.726 1.00 0.00 H new ATOM 0 HG22 ILE A 28 27.193 -18.664 -11.066 1.00 0.00 H new ATOM 0 HG23 ILE A 28 28.022 -18.098 -12.535 1.00 0.00 H new ATOM 0 HD11 ILE A 28 25.113 -15.918 -14.763 1.00 0.00 H new ATOM 0 HD12 ILE A 28 24.283 -16.517 -13.308 1.00 0.00 H new ATOM 0 HD13 ILE A 28 25.955 -15.916 -13.195 1.00 0.00 H new ATOM 398 N LEU A 29 25.266 -21.566 -11.552 1.00 0.00 N ATOM 399 CA LEU A 29 25.205 -22.393 -10.352 1.00 0.00 C ATOM 400 C LEU A 29 24.449 -23.690 -10.622 1.00 0.00 C ATOM 401 O LEU A 29 23.834 -23.853 -11.675 1.00 0.00 O ATOM 402 CB LEU A 29 24.533 -21.625 -9.213 1.00 0.00 C ATOM 403 CG LEU A 29 25.104 -20.239 -8.910 1.00 0.00 C ATOM 404 CD1 LEU A 29 24.006 -19.304 -8.427 1.00 0.00 C ATOM 405 CD2 LEU A 29 26.218 -20.335 -7.877 1.00 0.00 C ATOM 0 H LEU A 29 24.384 -21.493 -12.059 1.00 0.00 H new ATOM 0 HA LEU A 29 26.225 -22.643 -10.061 1.00 0.00 H new ATOM 0 HB2 LEU A 29 23.475 -21.516 -9.450 1.00 0.00 H new ATOM 0 HB3 LEU A 29 24.597 -22.228 -8.307 1.00 0.00 H new ATOM 0 HG LEU A 29 25.523 -19.830 -9.830 1.00 0.00 H new ATOM 0 HD11 LEU A 29 24.431 -18.322 -8.216 1.00 0.00 H new ATOM 0 HD12 LEU A 29 23.242 -19.211 -9.199 1.00 0.00 H new ATOM 0 HD13 LEU A 29 23.557 -19.708 -7.519 1.00 0.00 H new ATOM 0 HD21 LEU A 29 26.612 -19.339 -7.674 1.00 0.00 H new ATOM 0 HD22 LEU A 29 25.824 -20.764 -6.956 1.00 0.00 H new ATOM 0 HD23 LEU A 29 27.016 -20.970 -8.261 1.00 0.00 H new ATOM 417 N GLU A 30 24.497 -24.608 -9.662 1.00 0.00 N ATOM 418 CA GLU A 30 23.815 -25.890 -9.796 1.00 0.00 C ATOM 419 C GLU A 30 23.127 -26.280 -8.491 1.00 0.00 C ATOM 420 O GLU A 30 23.651 -26.036 -7.404 1.00 0.00 O ATOM 421 CB GLU A 30 24.806 -26.980 -10.208 1.00 0.00 C ATOM 422 CG GLU A 30 25.033 -27.061 -11.708 1.00 0.00 C ATOM 423 CD GLU A 30 24.543 -28.366 -12.303 1.00 0.00 C ATOM 424 OE1 GLU A 30 23.312 -28.532 -12.436 1.00 0.00 O ATOM 425 OE2 GLU A 30 25.390 -29.222 -12.636 1.00 0.00 O ATOM 0 H GLU A 30 25.001 -24.488 -8.783 1.00 0.00 H new ATOM 0 HA GLU A 30 23.055 -25.788 -10.571 1.00 0.00 H new ATOM 0 HB2 GLU A 30 25.760 -26.797 -9.714 1.00 0.00 H new ATOM 0 HB3 GLU A 30 24.442 -27.944 -9.852 1.00 0.00 H new ATOM 0 HG2 GLU A 30 24.522 -26.230 -12.194 1.00 0.00 H new ATOM 0 HG3 GLU A 30 26.097 -26.948 -11.917 1.00 0.00 H new ATOM 432 N TRP A 31 21.950 -26.885 -8.607 1.00 0.00 N ATOM 433 CA TRP A 31 21.190 -27.308 -7.437 1.00 0.00 C ATOM 434 C TRP A 31 21.544 -28.738 -7.045 1.00 0.00 C ATOM 435 O TRP A 31 20.957 -29.693 -7.553 1.00 0.00 O ATOM 436 CB TRP A 31 19.689 -27.198 -7.711 1.00 0.00 C ATOM 437 CG TRP A 31 19.107 -25.877 -7.310 1.00 0.00 C ATOM 438 CD1 TRP A 31 18.384 -25.026 -8.097 1.00 0.00 C ATOM 439 CD2 TRP A 31 19.201 -25.254 -6.024 1.00 0.00 C ATOM 440 NE1 TRP A 31 18.023 -23.913 -7.377 1.00 0.00 N ATOM 441 CE2 TRP A 31 18.511 -24.029 -6.103 1.00 0.00 C ATOM 442 CE3 TRP A 31 19.799 -25.613 -4.813 1.00 0.00 C ATOM 443 CZ2 TRP A 31 18.405 -23.163 -5.017 1.00 0.00 C ATOM 444 CZ3 TRP A 31 19.693 -24.753 -3.737 1.00 0.00 C ATOM 445 CH2 TRP A 31 19.000 -23.540 -3.844 1.00 0.00 C ATOM 0 H TRP A 31 21.502 -27.093 -9.499 1.00 0.00 H new ATOM 0 HA TRP A 31 21.450 -26.649 -6.608 1.00 0.00 H new ATOM 0 HB2 TRP A 31 19.508 -27.359 -8.774 1.00 0.00 H new ATOM 0 HB3 TRP A 31 19.170 -27.993 -7.176 1.00 0.00 H new ATOM 0 HD1 TRP A 31 18.133 -25.202 -9.133 1.00 0.00 H new ATOM 0 HE1 TRP A 31 17.479 -23.127 -7.734 1.00 0.00 H new ATOM 0 HE3 TRP A 31 20.335 -26.546 -4.720 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 17.872 -22.227 -5.098 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 20.152 -25.020 -2.797 1.00 0.00 H new ATOM 0 HH2 TRP A 31 18.934 -22.890 -2.984 1.00 0.00 H new ATOM 456 N GLU A 32 22.507 -28.878 -6.139 1.00 0.00 N ATOM 457 CA GLU A 32 22.938 -30.194 -5.681 1.00 0.00 C ATOM 458 C GLU A 32 21.910 -30.804 -4.733 1.00 0.00 C ATOM 459 O GLU A 32 21.748 -32.023 -4.677 1.00 0.00 O ATOM 460 CB GLU A 32 24.296 -30.095 -4.983 1.00 0.00 C ATOM 461 CG GLU A 32 25.414 -29.613 -5.892 1.00 0.00 C ATOM 462 CD GLU A 32 26.347 -30.732 -6.313 1.00 0.00 C ATOM 463 OE1 GLU A 32 25.854 -31.851 -6.567 1.00 0.00 O ATOM 464 OE2 GLU A 32 27.569 -30.488 -6.390 1.00 0.00 O ATOM 0 H GLU A 32 23.003 -28.098 -5.708 1.00 0.00 H new ATOM 0 HA GLU A 32 23.031 -30.842 -6.553 1.00 0.00 H new ATOM 0 HB2 GLU A 32 24.210 -29.416 -4.135 1.00 0.00 H new ATOM 0 HB3 GLU A 32 24.561 -31.073 -4.582 1.00 0.00 H new ATOM 0 HG2 GLU A 32 24.982 -29.152 -6.780 1.00 0.00 H new ATOM 0 HG3 GLU A 32 25.987 -28.841 -5.379 1.00 0.00 H new ATOM 471 N ASP A 33 21.218 -29.948 -3.990 1.00 0.00 N ATOM 472 CA ASP A 33 20.204 -30.401 -3.044 1.00 0.00 C ATOM 473 C ASP A 33 19.277 -29.256 -2.650 1.00 0.00 C ATOM 474 O ASP A 33 19.658 -28.372 -1.882 1.00 0.00 O ATOM 475 CB ASP A 33 20.867 -30.990 -1.797 1.00 0.00 C ATOM 476 CG ASP A 33 21.033 -32.494 -1.886 1.00 0.00 C ATOM 477 OD1 ASP A 33 20.017 -33.192 -2.088 1.00 0.00 O ATOM 478 OD2 ASP A 33 22.178 -32.974 -1.752 1.00 0.00 O ATOM 0 H ASP A 33 21.340 -28.936 -4.024 1.00 0.00 H new ATOM 0 HA ASP A 33 19.609 -31.174 -3.530 1.00 0.00 H new ATOM 0 HB2 ASP A 33 21.844 -30.527 -1.655 1.00 0.00 H new ATOM 0 HB3 ASP A 33 20.268 -30.745 -0.920 1.00 0.00 H new ATOM 483 N ARG A 34 18.060 -29.277 -3.182 1.00 0.00 N ATOM 484 CA ARG A 34 17.079 -28.239 -2.888 1.00 0.00 C ATOM 485 C ARG A 34 16.611 -28.328 -1.439 1.00 0.00 C ATOM 486 O ARG A 34 16.456 -27.311 -0.763 1.00 0.00 O ATOM 487 CB ARG A 34 15.880 -28.358 -3.831 1.00 0.00 C ATOM 488 CG ARG A 34 15.189 -27.033 -4.107 1.00 0.00 C ATOM 489 CD ARG A 34 15.863 -26.278 -5.242 1.00 0.00 C ATOM 490 NE ARG A 34 15.028 -26.228 -6.439 1.00 0.00 N ATOM 491 CZ ARG A 34 14.016 -25.382 -6.593 1.00 0.00 C ATOM 492 NH1 ARG A 34 13.716 -24.519 -5.632 1.00 0.00 N ATOM 493 NH2 ARG A 34 13.302 -25.396 -7.712 1.00 0.00 N ATOM 0 H ARG A 34 17.729 -30.002 -3.819 1.00 0.00 H new ATOM 0 HA ARG A 34 17.556 -27.271 -3.039 1.00 0.00 H new ATOM 0 HB2 ARG A 34 16.213 -28.788 -4.776 1.00 0.00 H new ATOM 0 HB3 ARG A 34 15.158 -29.052 -3.401 1.00 0.00 H new ATOM 0 HG2 ARG A 34 14.144 -27.212 -4.358 1.00 0.00 H new ATOM 0 HG3 ARG A 34 15.200 -26.421 -3.205 1.00 0.00 H new ATOM 0 HD2 ARG A 34 16.091 -25.263 -4.917 1.00 0.00 H new ATOM 0 HD3 ARG A 34 16.812 -26.757 -5.482 1.00 0.00 H new ATOM 0 HE ARG A 34 15.233 -26.878 -7.198 1.00 0.00 H new ATOM 0 HH11 ARG A 34 14.263 -24.504 -4.771 1.00 0.00 H new ATOM 0 HH12 ARG A 34 12.938 -23.871 -5.753 1.00 0.00 H new ATOM 0 HH21 ARG A 34 13.530 -26.057 -8.455 1.00 0.00 H new ATOM 0 HH22 ARG A 34 12.525 -24.746 -7.829 1.00 0.00 H new ATOM 507 N GLU A 35 16.389 -29.551 -0.968 1.00 0.00 N ATOM 508 CA GLU A 35 15.937 -29.772 0.400 1.00 0.00 C ATOM 509 C GLU A 35 16.965 -29.255 1.403 1.00 0.00 C ATOM 510 O GLU A 35 16.630 -28.505 2.319 1.00 0.00 O ATOM 511 CB GLU A 35 15.678 -31.261 0.642 1.00 0.00 C ATOM 512 CG GLU A 35 14.230 -31.669 0.427 1.00 0.00 C ATOM 513 CD GLU A 35 13.721 -32.603 1.508 1.00 0.00 C ATOM 514 OE1 GLU A 35 14.115 -32.426 2.680 1.00 0.00 O ATOM 515 OE2 GLU A 35 12.928 -33.511 1.181 1.00 0.00 O ATOM 0 H GLU A 35 16.515 -30.404 -1.514 1.00 0.00 H new ATOM 0 HA GLU A 35 15.007 -29.221 0.541 1.00 0.00 H new ATOM 0 HB2 GLU A 35 16.314 -31.845 -0.023 1.00 0.00 H new ATOM 0 HB3 GLU A 35 15.970 -31.511 1.662 1.00 0.00 H new ATOM 0 HG2 GLU A 35 13.605 -30.776 0.399 1.00 0.00 H new ATOM 0 HG3 GLU A 35 14.134 -32.156 -0.544 1.00 0.00 H new ATOM 522 N GLN A 36 18.217 -29.662 1.220 1.00 0.00 N ATOM 523 CA GLN A 36 19.294 -29.240 2.109 1.00 0.00 C ATOM 524 C GLN A 36 19.704 -27.800 1.823 1.00 0.00 C ATOM 525 O GLN A 36 20.058 -27.052 2.733 1.00 0.00 O ATOM 526 CB GLN A 36 20.501 -30.167 1.956 1.00 0.00 C ATOM 527 CG GLN A 36 20.150 -31.643 2.043 1.00 0.00 C ATOM 528 CD GLN A 36 21.145 -32.432 2.872 1.00 0.00 C ATOM 529 OE1 GLN A 36 21.861 -33.289 2.354 1.00 0.00 O ATOM 530 NE2 GLN A 36 21.194 -32.145 4.168 1.00 0.00 N ATOM 0 H GLN A 36 18.511 -30.282 0.466 1.00 0.00 H new ATOM 0 HA GLN A 36 18.928 -29.296 3.134 1.00 0.00 H new ATOM 0 HB2 GLN A 36 20.979 -29.972 0.996 1.00 0.00 H new ATOM 0 HB3 GLN A 36 21.231 -29.930 2.730 1.00 0.00 H new ATOM 0 HG2 GLN A 36 19.156 -31.751 2.476 1.00 0.00 H new ATOM 0 HG3 GLN A 36 20.107 -32.062 1.038 1.00 0.00 H new ATOM 0 HE21 GLN A 36 20.582 -31.427 4.555 1.00 0.00 H new ATOM 0 HE22 GLN A 36 21.844 -32.643 4.776 1.00 0.00 H new ATOM 539 N GLY A 37 19.654 -27.417 0.550 1.00 0.00 N ATOM 540 CA GLY A 37 20.023 -26.067 0.167 1.00 0.00 C ATOM 541 C GLY A 37 21.456 -25.973 -0.318 1.00 0.00 C ATOM 542 O GLY A 37 22.096 -24.929 -0.187 1.00 0.00 O ATOM 0 H GLY A 37 19.365 -28.018 -0.222 1.00 0.00 H new ATOM 0 HA2 GLY A 37 19.353 -25.720 -0.620 1.00 0.00 H new ATOM 0 HA3 GLY A 37 19.887 -25.401 1.019 1.00 0.00 H new ATOM 546 N ILE A 38 21.961 -27.067 -0.879 1.00 0.00 N ATOM 547 CA ILE A 38 23.328 -27.103 -1.385 1.00 0.00 C ATOM 548 C ILE A 38 23.381 -26.700 -2.854 1.00 0.00 C ATOM 549 O ILE A 38 22.567 -27.147 -3.662 1.00 0.00 O ATOM 550 CB ILE A 38 23.950 -28.503 -1.225 1.00 0.00 C ATOM 551 CG1 ILE A 38 24.001 -28.898 0.252 1.00 0.00 C ATOM 552 CG2 ILE A 38 25.343 -28.536 -1.836 1.00 0.00 C ATOM 553 CD1 ILE A 38 24.069 -30.392 0.477 1.00 0.00 C ATOM 0 H ILE A 38 21.445 -27.939 -0.994 1.00 0.00 H new ATOM 0 HA ILE A 38 23.902 -26.389 -0.794 1.00 0.00 H new ATOM 0 HB ILE A 38 23.325 -29.224 -1.752 1.00 0.00 H new ATOM 0 HG12 ILE A 38 24.869 -28.429 0.715 1.00 0.00 H new ATOM 0 HG13 ILE A 38 23.119 -28.503 0.756 1.00 0.00 H new ATOM 0 HG21 ILE A 38 25.770 -29.532 -1.715 1.00 0.00 H new ATOM 0 HG22 ILE A 38 25.281 -28.294 -2.897 1.00 0.00 H new ATOM 0 HG23 ILE A 38 25.978 -27.806 -1.334 1.00 0.00 H new ATOM 0 HD11 ILE A 38 24.103 -30.598 1.547 1.00 0.00 H new ATOM 0 HD12 ILE A 38 23.188 -30.866 0.044 1.00 0.00 H new ATOM 0 HD13 ILE A 38 24.966 -30.791 0.003 1.00 0.00 H new ATOM 565 N PHE A 39 24.346 -25.852 -3.194 1.00 0.00 N ATOM 566 CA PHE A 39 24.507 -25.388 -4.568 1.00 0.00 C ATOM 567 C PHE A 39 25.981 -25.361 -4.963 1.00 0.00 C ATOM 568 O PHE A 39 26.857 -25.164 -4.122 1.00 0.00 O ATOM 569 CB PHE A 39 23.898 -23.994 -4.732 1.00 0.00 C ATOM 570 CG PHE A 39 24.620 -22.929 -3.957 1.00 0.00 C ATOM 571 CD1 PHE A 39 24.462 -22.825 -2.584 1.00 0.00 C ATOM 572 CD2 PHE A 39 25.457 -22.032 -4.600 1.00 0.00 C ATOM 573 CE1 PHE A 39 25.124 -21.846 -1.869 1.00 0.00 C ATOM 574 CE2 PHE A 39 26.122 -21.050 -3.890 1.00 0.00 C ATOM 575 CZ PHE A 39 25.956 -20.958 -2.522 1.00 0.00 C ATOM 0 H PHE A 39 25.028 -25.472 -2.538 1.00 0.00 H new ATOM 0 HA PHE A 39 23.985 -26.085 -5.224 1.00 0.00 H new ATOM 0 HB2 PHE A 39 23.900 -23.727 -5.789 1.00 0.00 H new ATOM 0 HB3 PHE A 39 22.856 -24.022 -4.412 1.00 0.00 H new ATOM 0 HD1 PHE A 39 23.814 -23.517 -2.067 1.00 0.00 H new ATOM 0 HD2 PHE A 39 25.592 -22.101 -5.669 1.00 0.00 H new ATOM 0 HE1 PHE A 39 24.991 -21.775 -0.800 1.00 0.00 H new ATOM 0 HE2 PHE A 39 26.770 -20.356 -4.404 1.00 0.00 H new ATOM 0 HZ PHE A 39 26.476 -20.193 -1.964 1.00 0.00 H new ATOM 585 N ARG A 40 26.245 -25.562 -6.250 1.00 0.00 N ATOM 586 CA ARG A 40 27.612 -25.563 -6.758 1.00 0.00 C ATOM 587 C ARG A 40 27.861 -24.349 -7.649 1.00 0.00 C ATOM 588 O ARG A 40 26.970 -23.902 -8.372 1.00 0.00 O ATOM 589 CB ARG A 40 27.887 -26.848 -7.541 1.00 0.00 C ATOM 590 CG ARG A 40 29.210 -26.834 -8.289 1.00 0.00 C ATOM 591 CD ARG A 40 29.309 -27.995 -9.267 1.00 0.00 C ATOM 592 NE ARG A 40 30.453 -27.859 -10.164 1.00 0.00 N ATOM 593 CZ ARG A 40 30.936 -28.857 -10.895 1.00 0.00 C ATOM 594 NH1 ARG A 40 30.377 -30.058 -10.836 1.00 0.00 N ATOM 595 NH2 ARG A 40 31.981 -28.655 -11.688 1.00 0.00 N ATOM 0 H ARG A 40 25.531 -25.726 -6.960 1.00 0.00 H new ATOM 0 HA ARG A 40 28.290 -25.513 -5.906 1.00 0.00 H new ATOM 0 HB2 ARG A 40 27.878 -27.692 -6.852 1.00 0.00 H new ATOM 0 HB3 ARG A 40 27.078 -27.009 -8.254 1.00 0.00 H new ATOM 0 HG2 ARG A 40 29.314 -25.893 -8.828 1.00 0.00 H new ATOM 0 HG3 ARG A 40 30.033 -26.886 -7.576 1.00 0.00 H new ATOM 0 HD2 ARG A 40 29.392 -28.930 -8.713 1.00 0.00 H new ATOM 0 HD3 ARG A 40 28.393 -28.053 -9.854 1.00 0.00 H new ATOM 0 HE ARG A 40 30.906 -26.948 -10.233 1.00 0.00 H new ATOM 0 HH11 ARG A 40 29.574 -30.217 -10.228 1.00 0.00 H new ATOM 0 HH12 ARG A 40 30.750 -30.822 -11.399 1.00 0.00 H new ATOM 0 HH21 ARG A 40 32.414 -27.733 -11.736 1.00 0.00 H new ATOM 0 HH22 ARG A 40 32.351 -29.422 -12.249 1.00 0.00 H new ATOM 609 N VAL A 41 29.079 -23.820 -7.592 1.00 0.00 N ATOM 610 CA VAL A 41 29.447 -22.659 -8.393 1.00 0.00 C ATOM 611 C VAL A 41 29.997 -23.080 -9.751 1.00 0.00 C ATOM 612 O VAL A 41 31.211 -23.129 -9.953 1.00 0.00 O ATOM 613 CB VAL A 41 30.495 -21.789 -7.674 1.00 0.00 C ATOM 614 CG1 VAL A 41 30.891 -20.603 -8.541 1.00 0.00 C ATOM 615 CG2 VAL A 41 29.966 -21.322 -6.327 1.00 0.00 C ATOM 0 H VAL A 41 29.828 -24.177 -6.999 1.00 0.00 H new ATOM 0 HA VAL A 41 28.539 -22.074 -8.538 1.00 0.00 H new ATOM 0 HB VAL A 41 31.385 -22.394 -7.499 1.00 0.00 H new ATOM 0 HG11 VAL A 41 31.632 -20.000 -8.016 1.00 0.00 H new ATOM 0 HG12 VAL A 41 31.314 -20.963 -9.479 1.00 0.00 H new ATOM 0 HG13 VAL A 41 30.011 -19.995 -8.750 1.00 0.00 H new ATOM 0 HG21 VAL A 41 30.720 -20.709 -5.833 1.00 0.00 H new ATOM 0 HG22 VAL A 41 29.060 -20.734 -6.476 1.00 0.00 H new ATOM 0 HG23 VAL A 41 29.739 -22.188 -5.705 1.00 0.00 H new ATOM 625 N VAL A 42 29.097 -23.384 -10.680 1.00 0.00 N ATOM 626 CA VAL A 42 29.491 -23.800 -12.021 1.00 0.00 C ATOM 627 C VAL A 42 30.488 -22.820 -12.629 1.00 0.00 C ATOM 628 O VAL A 42 31.570 -23.210 -13.069 1.00 0.00 O ATOM 629 CB VAL A 42 28.272 -23.919 -12.954 1.00 0.00 C ATOM 630 CG1 VAL A 42 28.708 -24.317 -14.355 1.00 0.00 C ATOM 631 CG2 VAL A 42 27.270 -24.918 -12.395 1.00 0.00 C ATOM 0 H VAL A 42 28.089 -23.350 -10.529 1.00 0.00 H new ATOM 0 HA VAL A 42 29.960 -24.779 -11.923 1.00 0.00 H new ATOM 0 HB VAL A 42 27.786 -22.945 -13.014 1.00 0.00 H new ATOM 0 HG11 VAL A 42 27.833 -24.396 -15.000 1.00 0.00 H new ATOM 0 HG12 VAL A 42 29.385 -23.562 -14.754 1.00 0.00 H new ATOM 0 HG13 VAL A 42 29.219 -25.279 -14.317 1.00 0.00 H new ATOM 0 HG21 VAL A 42 26.415 -24.990 -13.067 1.00 0.00 H new ATOM 0 HG22 VAL A 42 27.743 -25.896 -12.304 1.00 0.00 H new ATOM 0 HG23 VAL A 42 26.933 -24.585 -11.413 1.00 0.00 H new ATOM 641 N LYS A 43 30.118 -21.544 -12.651 1.00 0.00 N ATOM 642 CA LYS A 43 30.979 -20.506 -13.203 1.00 0.00 C ATOM 643 C LYS A 43 31.431 -19.538 -12.115 1.00 0.00 C ATOM 644 O LYS A 43 30.746 -18.559 -11.818 1.00 0.00 O ATOM 645 CB LYS A 43 30.247 -19.741 -14.309 1.00 0.00 C ATOM 646 CG LYS A 43 29.871 -20.606 -15.500 1.00 0.00 C ATOM 647 CD LYS A 43 28.901 -19.890 -16.424 1.00 0.00 C ATOM 648 CE LYS A 43 28.759 -20.616 -17.753 1.00 0.00 C ATOM 649 NZ LYS A 43 29.732 -20.119 -18.764 1.00 0.00 N ATOM 0 H LYS A 43 29.226 -21.204 -12.292 1.00 0.00 H new ATOM 0 HA LYS A 43 31.861 -20.988 -13.625 1.00 0.00 H new ATOM 0 HB2 LYS A 43 29.343 -19.296 -13.894 1.00 0.00 H new ATOM 0 HB3 LYS A 43 30.878 -18.921 -14.651 1.00 0.00 H new ATOM 0 HG2 LYS A 43 30.770 -20.876 -16.053 1.00 0.00 H new ATOM 0 HG3 LYS A 43 29.422 -21.535 -15.149 1.00 0.00 H new ATOM 0 HD2 LYS A 43 27.926 -19.816 -15.943 1.00 0.00 H new ATOM 0 HD3 LYS A 43 29.248 -18.872 -16.600 1.00 0.00 H new ATOM 0 HE2 LYS A 43 28.908 -21.685 -17.600 1.00 0.00 H new ATOM 0 HE3 LYS A 43 27.745 -20.486 -18.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 29.603 -20.639 -19.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 29.574 -19.104 -18.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 30.701 -20.266 -18.415 1.00 0.00 H new ATOM 663 N SER A 44 32.589 -19.817 -11.524 1.00 0.00 N ATOM 664 CA SER A 44 33.131 -18.972 -10.467 1.00 0.00 C ATOM 665 C SER A 44 33.476 -17.586 -11.002 1.00 0.00 C ATOM 666 O SER A 44 33.419 -16.596 -10.274 1.00 0.00 O ATOM 667 CB SER A 44 34.375 -19.619 -9.854 1.00 0.00 C ATOM 668 OG SER A 44 35.495 -19.481 -10.711 1.00 0.00 O ATOM 0 H SER A 44 33.170 -20.622 -11.760 1.00 0.00 H new ATOM 0 HA SER A 44 32.369 -18.865 -9.695 1.00 0.00 H new ATOM 0 HB2 SER A 44 34.591 -19.158 -8.890 1.00 0.00 H new ATOM 0 HB3 SER A 44 34.184 -20.676 -9.666 1.00 0.00 H new ATOM 0 HG SER A 44 36.278 -19.901 -10.297 1.00 0.00 H new ATOM 674 N GLU A 45 33.835 -17.525 -12.281 1.00 0.00 N ATOM 675 CA GLU A 45 34.190 -16.261 -12.915 1.00 0.00 C ATOM 676 C GLU A 45 32.941 -15.467 -13.286 1.00 0.00 C ATOM 677 O GLU A 45 32.905 -14.245 -13.147 1.00 0.00 O ATOM 678 CB GLU A 45 35.038 -16.511 -14.164 1.00 0.00 C ATOM 679 CG GLU A 45 34.330 -17.337 -15.225 1.00 0.00 C ATOM 680 CD GLU A 45 35.250 -17.742 -16.360 1.00 0.00 C ATOM 681 OE1 GLU A 45 35.417 -16.939 -17.302 1.00 0.00 O ATOM 682 OE2 GLU A 45 35.802 -18.860 -16.306 1.00 0.00 O ATOM 0 H GLU A 45 33.888 -18.336 -12.898 1.00 0.00 H new ATOM 0 HA GLU A 45 34.771 -15.678 -12.201 1.00 0.00 H new ATOM 0 HB2 GLU A 45 35.327 -15.552 -14.595 1.00 0.00 H new ATOM 0 HB3 GLU A 45 35.957 -17.020 -13.873 1.00 0.00 H new ATOM 0 HG2 GLU A 45 33.912 -18.232 -14.764 1.00 0.00 H new ATOM 0 HG3 GLU A 45 33.494 -16.765 -15.627 1.00 0.00 H new ATOM 689 N ALA A 46 31.918 -16.173 -13.758 1.00 0.00 N ATOM 690 CA ALA A 46 30.666 -15.536 -14.148 1.00 0.00 C ATOM 691 C ALA A 46 29.908 -15.023 -12.928 1.00 0.00 C ATOM 692 O ALA A 46 29.279 -13.965 -12.975 1.00 0.00 O ATOM 693 CB ALA A 46 29.803 -16.508 -14.937 1.00 0.00 C ATOM 0 H ALA A 46 31.932 -17.186 -13.879 1.00 0.00 H new ATOM 0 HA ALA A 46 30.904 -14.681 -14.782 1.00 0.00 H new ATOM 0 HB1 ALA A 46 28.871 -16.019 -15.222 1.00 0.00 H new ATOM 0 HB2 ALA A 46 30.336 -16.823 -15.834 1.00 0.00 H new ATOM 0 HB3 ALA A 46 29.582 -17.380 -14.322 1.00 0.00 H new ATOM 699 N LEU A 47 29.971 -15.778 -11.837 1.00 0.00 N ATOM 700 CA LEU A 47 29.290 -15.400 -10.604 1.00 0.00 C ATOM 701 C LEU A 47 29.806 -14.062 -10.085 1.00 0.00 C ATOM 702 O LEU A 47 29.025 -13.183 -9.723 1.00 0.00 O ATOM 703 CB LEU A 47 29.483 -16.482 -9.540 1.00 0.00 C ATOM 704 CG LEU A 47 28.825 -16.215 -8.185 1.00 0.00 C ATOM 705 CD1 LEU A 47 27.317 -16.389 -8.280 1.00 0.00 C ATOM 706 CD2 LEU A 47 29.404 -17.136 -7.121 1.00 0.00 C ATOM 0 H LEU A 47 30.487 -16.656 -11.781 1.00 0.00 H new ATOM 0 HA LEU A 47 28.227 -15.298 -10.821 1.00 0.00 H new ATOM 0 HB2 LEU A 47 29.094 -17.422 -9.931 1.00 0.00 H new ATOM 0 HB3 LEU A 47 30.552 -16.621 -9.381 1.00 0.00 H new ATOM 0 HG LEU A 47 29.033 -15.184 -7.898 1.00 0.00 H new ATOM 0 HD11 LEU A 47 26.866 -16.195 -7.307 1.00 0.00 H new ATOM 0 HD12 LEU A 47 26.915 -15.688 -9.012 1.00 0.00 H new ATOM 0 HD13 LEU A 47 27.087 -17.409 -8.590 1.00 0.00 H new ATOM 0 HD21 LEU A 47 28.925 -16.932 -6.164 1.00 0.00 H new ATOM 0 HD22 LEU A 47 29.226 -18.174 -7.402 1.00 0.00 H new ATOM 0 HD23 LEU A 47 30.477 -16.962 -7.034 1.00 0.00 H new ATOM 718 N ALA A 48 31.127 -13.915 -10.053 1.00 0.00 N ATOM 719 CA ALA A 48 31.747 -12.683 -9.583 1.00 0.00 C ATOM 720 C ALA A 48 31.502 -11.538 -10.559 1.00 0.00 C ATOM 721 O ALA A 48 31.102 -10.443 -10.161 1.00 0.00 O ATOM 722 CB ALA A 48 33.240 -12.890 -9.373 1.00 0.00 C ATOM 0 H ALA A 48 31.788 -14.634 -10.347 1.00 0.00 H new ATOM 0 HA ALA A 48 31.291 -12.417 -8.630 1.00 0.00 H new ATOM 0 HB1 ALA A 48 33.690 -11.961 -9.022 1.00 0.00 H new ATOM 0 HB2 ALA A 48 33.398 -13.673 -8.631 1.00 0.00 H new ATOM 0 HB3 ALA A 48 33.703 -13.184 -10.315 1.00 0.00 H new ATOM 728 N LYS A 49 31.745 -11.796 -11.840 1.00 0.00 N ATOM 729 CA LYS A 49 31.550 -10.787 -12.874 1.00 0.00 C ATOM 730 C LYS A 49 30.167 -10.154 -12.764 1.00 0.00 C ATOM 731 O LYS A 49 30.028 -8.932 -12.809 1.00 0.00 O ATOM 732 CB LYS A 49 31.729 -11.408 -14.261 1.00 0.00 C ATOM 733 CG LYS A 49 32.732 -10.672 -15.133 1.00 0.00 C ATOM 734 CD LYS A 49 33.023 -11.435 -16.414 1.00 0.00 C ATOM 735 CE LYS A 49 34.260 -10.895 -17.115 1.00 0.00 C ATOM 736 NZ LYS A 49 35.504 -11.193 -16.353 1.00 0.00 N ATOM 0 H LYS A 49 32.077 -12.696 -12.187 1.00 0.00 H new ATOM 0 HA LYS A 49 32.299 -10.008 -12.731 1.00 0.00 H new ATOM 0 HB2 LYS A 49 32.050 -12.443 -14.147 1.00 0.00 H new ATOM 0 HB3 LYS A 49 30.764 -11.427 -14.768 1.00 0.00 H new ATOM 0 HG2 LYS A 49 32.346 -9.683 -15.378 1.00 0.00 H new ATOM 0 HG3 LYS A 49 33.658 -10.524 -14.578 1.00 0.00 H new ATOM 0 HD2 LYS A 49 33.165 -12.491 -16.185 1.00 0.00 H new ATOM 0 HD3 LYS A 49 32.165 -11.366 -17.083 1.00 0.00 H new ATOM 0 HE2 LYS A 49 34.332 -11.330 -18.112 1.00 0.00 H new ATOM 0 HE3 LYS A 49 34.163 -9.817 -17.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 36.328 -11.092 -16.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 35.591 -10.529 -15.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 35.463 -12.166 -15.989 1.00 0.00 H new ATOM 750 N MET A 50 29.147 -10.993 -12.617 1.00 0.00 N ATOM 751 CA MET A 50 27.775 -10.514 -12.497 1.00 0.00 C ATOM 752 C MET A 50 27.566 -9.792 -11.170 1.00 0.00 C ATOM 753 O MET A 50 26.935 -8.736 -11.121 1.00 0.00 O ATOM 754 CB MET A 50 26.793 -11.681 -12.616 1.00 0.00 C ATOM 755 CG MET A 50 26.323 -11.938 -14.038 1.00 0.00 C ATOM 756 SD MET A 50 24.586 -11.522 -14.282 1.00 0.00 S ATOM 757 CE MET A 50 23.817 -12.518 -13.008 1.00 0.00 C ATOM 0 H MET A 50 29.245 -12.008 -12.578 1.00 0.00 H new ATOM 0 HA MET A 50 27.590 -9.809 -13.307 1.00 0.00 H new ATOM 0 HB2 MET A 50 27.266 -12.584 -12.230 1.00 0.00 H new ATOM 0 HB3 MET A 50 25.926 -11.481 -11.986 1.00 0.00 H new ATOM 0 HG2 MET A 50 26.932 -11.355 -14.729 1.00 0.00 H new ATOM 0 HG3 MET A 50 26.479 -12.988 -14.284 1.00 0.00 H new ATOM 0 HE1 MET A 50 22.790 -12.746 -13.294 1.00 0.00 H new ATOM 0 HE2 MET A 50 24.374 -13.447 -12.886 1.00 0.00 H new ATOM 0 HE3 MET A 50 23.818 -11.969 -12.067 1.00 0.00 H new ATOM 767 N TRP A 51 28.098 -10.367 -10.098 1.00 0.00 N ATOM 768 CA TRP A 51 27.968 -9.776 -8.770 1.00 0.00 C ATOM 769 C TRP A 51 28.526 -8.357 -8.749 1.00 0.00 C ATOM 770 O TRP A 51 27.873 -7.431 -8.269 1.00 0.00 O ATOM 771 CB TRP A 51 28.692 -10.638 -7.734 1.00 0.00 C ATOM 772 CG TRP A 51 28.686 -10.043 -6.358 1.00 0.00 C ATOM 773 CD1 TRP A 51 29.763 -9.859 -5.540 1.00 0.00 C ATOM 774 CD2 TRP A 51 27.547 -9.555 -5.641 1.00 0.00 C ATOM 775 NE1 TRP A 51 29.363 -9.287 -4.356 1.00 0.00 N ATOM 776 CE2 TRP A 51 28.008 -9.090 -4.394 1.00 0.00 C ATOM 777 CE3 TRP A 51 26.183 -9.465 -5.931 1.00 0.00 C ATOM 778 CZ2 TRP A 51 27.152 -8.544 -3.440 1.00 0.00 C ATOM 779 CZ3 TRP A 51 25.335 -8.924 -4.984 1.00 0.00 C ATOM 780 CH2 TRP A 51 25.821 -8.468 -3.751 1.00 0.00 C ATOM 0 H TRP A 51 28.623 -11.241 -10.121 1.00 0.00 H new ATOM 0 HA TRP A 51 26.908 -9.733 -8.520 1.00 0.00 H new ATOM 0 HB2 TRP A 51 28.224 -11.622 -7.699 1.00 0.00 H new ATOM 0 HB3 TRP A 51 29.723 -10.787 -8.053 1.00 0.00 H new ATOM 0 HD1 TRP A 51 30.780 -10.124 -5.787 1.00 0.00 H new ATOM 0 HE1 TRP A 51 29.975 -9.048 -3.576 1.00 0.00 H new ATOM 0 HE3 TRP A 51 25.799 -9.812 -6.879 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 27.525 -8.193 -2.489 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 24.279 -8.851 -5.198 1.00 0.00 H new ATOM 0 HH2 TRP A 51 25.132 -8.049 -3.033 1.00 0.00 H new ATOM 791 N GLY A 52 29.737 -8.194 -9.272 1.00 0.00 N ATOM 792 CA GLY A 52 30.361 -6.884 -9.303 1.00 0.00 C ATOM 793 C GLY A 52 29.447 -5.820 -9.876 1.00 0.00 C ATOM 794 O GLY A 52 29.285 -4.751 -9.289 1.00 0.00 O ATOM 0 H GLY A 52 30.297 -8.945 -9.675 1.00 0.00 H new ATOM 0 HA2 GLY A 52 30.654 -6.601 -8.292 1.00 0.00 H new ATOM 0 HA3 GLY A 52 31.273 -6.934 -9.897 1.00 0.00 H new ATOM 798 N GLN A 53 28.850 -6.112 -11.027 1.00 0.00 N ATOM 799 CA GLN A 53 27.950 -5.170 -11.681 1.00 0.00 C ATOM 800 C GLN A 53 26.908 -4.642 -10.700 1.00 0.00 C ATOM 801 O GLN A 53 26.512 -3.478 -10.767 1.00 0.00 O ATOM 802 CB GLN A 53 27.255 -5.836 -12.870 1.00 0.00 C ATOM 803 CG GLN A 53 28.112 -5.888 -14.124 1.00 0.00 C ATOM 804 CD GLN A 53 27.433 -5.254 -15.322 1.00 0.00 C ATOM 805 OE1 GLN A 53 26.453 -5.784 -15.847 1.00 0.00 O ATOM 806 NE2 GLN A 53 27.950 -4.113 -15.761 1.00 0.00 N ATOM 0 H GLN A 53 28.973 -6.993 -11.526 1.00 0.00 H new ATOM 0 HA GLN A 53 28.544 -4.330 -12.040 1.00 0.00 H new ATOM 0 HB2 GLN A 53 26.970 -6.851 -12.592 1.00 0.00 H new ATOM 0 HB3 GLN A 53 26.334 -5.296 -13.091 1.00 0.00 H new ATOM 0 HG2 GLN A 53 29.057 -5.378 -13.935 1.00 0.00 H new ATOM 0 HG3 GLN A 53 28.350 -6.927 -14.354 1.00 0.00 H new ATOM 0 HE21 GLN A 53 28.763 -3.709 -15.296 1.00 0.00 H new ATOM 0 HE22 GLN A 53 27.534 -3.640 -16.564 1.00 0.00 H new ATOM 815 N ARG A 54 26.469 -5.504 -9.789 1.00 0.00 N ATOM 816 CA ARG A 54 25.473 -5.125 -8.795 1.00 0.00 C ATOM 817 C ARG A 54 26.062 -4.149 -7.780 1.00 0.00 C ATOM 818 O ARG A 54 25.373 -3.253 -7.292 1.00 0.00 O ATOM 819 CB ARG A 54 24.941 -6.366 -8.076 1.00 0.00 C ATOM 820 CG ARG A 54 24.778 -7.573 -8.984 1.00 0.00 C ATOM 821 CD ARG A 54 23.956 -7.235 -10.218 1.00 0.00 C ATOM 822 NE ARG A 54 22.535 -7.510 -10.022 1.00 0.00 N ATOM 823 CZ ARG A 54 21.584 -7.096 -10.853 1.00 0.00 C ATOM 824 NH1 ARG A 54 21.902 -6.393 -11.931 1.00 0.00 N ATOM 825 NH2 ARG A 54 20.313 -7.386 -10.606 1.00 0.00 N ATOM 0 H ARG A 54 26.788 -6.470 -9.719 1.00 0.00 H new ATOM 0 HA ARG A 54 24.650 -4.632 -9.312 1.00 0.00 H new ATOM 0 HB2 ARG A 54 25.620 -6.623 -7.263 1.00 0.00 H new ATOM 0 HB3 ARG A 54 23.978 -6.129 -7.625 1.00 0.00 H new ATOM 0 HG2 ARG A 54 25.760 -7.936 -9.288 1.00 0.00 H new ATOM 0 HG3 ARG A 54 24.295 -8.381 -8.434 1.00 0.00 H new ATOM 0 HD2 ARG A 54 24.091 -6.182 -10.466 1.00 0.00 H new ATOM 0 HD3 ARG A 54 24.323 -7.812 -11.067 1.00 0.00 H new ATOM 0 HE ARG A 54 22.257 -8.050 -9.202 1.00 0.00 H new ATOM 0 HH11 ARG A 54 22.878 -6.169 -12.124 1.00 0.00 H new ATOM 0 HH12 ARG A 54 21.171 -6.076 -12.567 1.00 0.00 H new ATOM 0 HH21 ARG A 54 20.065 -7.927 -9.778 1.00 0.00 H new ATOM 0 HH22 ARG A 54 19.584 -7.068 -11.244 1.00 0.00 H new ATOM 839 N LYS A 55 27.340 -4.330 -7.466 1.00 0.00 N ATOM 840 CA LYS A 55 28.023 -3.467 -6.510 1.00 0.00 C ATOM 841 C LYS A 55 28.918 -2.461 -7.228 1.00 0.00 C ATOM 842 O LYS A 55 29.772 -1.824 -6.611 1.00 0.00 O ATOM 843 CB LYS A 55 28.857 -4.305 -5.539 1.00 0.00 C ATOM 844 CG LYS A 55 28.030 -5.261 -4.696 1.00 0.00 C ATOM 845 CD LYS A 55 28.131 -4.930 -3.216 1.00 0.00 C ATOM 846 CE LYS A 55 26.787 -5.076 -2.519 1.00 0.00 C ATOM 847 NZ LYS A 55 26.905 -5.829 -1.240 1.00 0.00 N ATOM 0 H LYS A 55 27.924 -5.067 -7.860 1.00 0.00 H new ATOM 0 HA LYS A 55 27.266 -2.919 -5.949 1.00 0.00 H new ATOM 0 HB2 LYS A 55 29.593 -4.876 -6.105 1.00 0.00 H new ATOM 0 HB3 LYS A 55 29.411 -3.637 -4.879 1.00 0.00 H new ATOM 0 HG2 LYS A 55 26.987 -5.215 -5.010 1.00 0.00 H new ATOM 0 HG3 LYS A 55 28.369 -6.283 -4.865 1.00 0.00 H new ATOM 0 HD2 LYS A 55 28.860 -5.588 -2.744 1.00 0.00 H new ATOM 0 HD3 LYS A 55 28.496 -3.910 -3.094 1.00 0.00 H new ATOM 0 HE2 LYS A 55 26.371 -4.088 -2.322 1.00 0.00 H new ATOM 0 HE3 LYS A 55 26.089 -5.590 -3.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 25.987 -6.257 -1.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 27.620 -6.577 -1.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 27.190 -5.179 -0.480 1.00 0.00 H new ATOM 861 N LYS A 56 28.716 -2.323 -8.534 1.00 0.00 N ATOM 862 CA LYS A 56 29.502 -1.393 -9.336 1.00 0.00 C ATOM 863 C LYS A 56 30.996 -1.618 -9.121 1.00 0.00 C ATOM 864 O LYS A 56 31.789 -0.680 -9.189 1.00 0.00 O ATOM 865 CB LYS A 56 29.137 0.051 -8.985 1.00 0.00 C ATOM 866 CG LYS A 56 28.497 0.812 -10.132 1.00 0.00 C ATOM 867 CD LYS A 56 29.490 1.072 -11.252 1.00 0.00 C ATOM 868 CE LYS A 56 28.825 0.988 -12.618 1.00 0.00 C ATOM 869 NZ LYS A 56 27.815 2.065 -12.810 1.00 0.00 N ATOM 0 H LYS A 56 28.014 -2.844 -9.060 1.00 0.00 H new ATOM 0 HA LYS A 56 29.272 -1.574 -10.386 1.00 0.00 H new ATOM 0 HB2 LYS A 56 28.454 0.048 -8.136 1.00 0.00 H new ATOM 0 HB3 LYS A 56 30.037 0.578 -8.668 1.00 0.00 H new ATOM 0 HG2 LYS A 56 27.651 0.244 -10.519 1.00 0.00 H new ATOM 0 HG3 LYS A 56 28.104 1.760 -9.766 1.00 0.00 H new ATOM 0 HD2 LYS A 56 29.935 2.059 -11.123 1.00 0.00 H new ATOM 0 HD3 LYS A 56 30.301 0.346 -11.196 1.00 0.00 H new ATOM 0 HE2 LYS A 56 29.584 1.059 -13.397 1.00 0.00 H new ATOM 0 HE3 LYS A 56 28.345 0.016 -12.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 27.385 1.973 -13.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 27.076 1.982 -12.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 28.277 2.993 -12.729 1.00 0.00 H new ATOM 883 N ASN A 57 31.371 -2.866 -8.862 1.00 0.00 N ATOM 884 CA ASN A 57 32.769 -3.213 -8.638 1.00 0.00 C ATOM 885 C ASN A 57 33.409 -3.745 -9.917 1.00 0.00 C ATOM 886 O ASN A 57 33.524 -4.956 -10.108 1.00 0.00 O ATOM 887 CB ASN A 57 32.886 -4.255 -7.524 1.00 0.00 C ATOM 888 CG ASN A 57 34.307 -4.753 -7.344 1.00 0.00 C ATOM 889 OD1 ASN A 57 35.153 -4.578 -8.221 1.00 0.00 O ATOM 890 ND2 ASN A 57 34.575 -5.377 -6.203 1.00 0.00 N ATOM 0 H ASN A 57 30.726 -3.654 -8.802 1.00 0.00 H new ATOM 0 HA ASN A 57 33.298 -2.309 -8.337 1.00 0.00 H new ATOM 0 HB2 ASN A 57 32.534 -3.822 -6.587 1.00 0.00 H new ATOM 0 HB3 ASN A 57 32.234 -5.099 -7.750 1.00 0.00 H new ATOM 0 HD21 ASN A 57 35.514 -5.734 -6.025 1.00 0.00 H new ATOM 0 HD22 ASN A 57 33.842 -5.499 -5.504 1.00 0.00 H new ATOM 897 N ASP A 58 33.825 -2.833 -10.788 1.00 0.00 N ATOM 898 CA ASP A 58 34.455 -3.210 -12.048 1.00 0.00 C ATOM 899 C ASP A 58 35.593 -4.199 -11.812 1.00 0.00 C ATOM 900 O ASP A 58 35.975 -4.947 -12.712 1.00 0.00 O ATOM 901 CB ASP A 58 34.983 -1.969 -12.770 1.00 0.00 C ATOM 902 CG ASP A 58 35.338 -2.249 -14.217 1.00 0.00 C ATOM 903 OD1 ASP A 58 35.968 -3.294 -14.483 1.00 0.00 O ATOM 904 OD2 ASP A 58 34.985 -1.423 -15.084 1.00 0.00 O ATOM 0 H ASP A 58 33.737 -1.827 -10.645 1.00 0.00 H new ATOM 0 HA ASP A 58 33.702 -3.692 -12.672 1.00 0.00 H new ATOM 0 HB2 ASP A 58 34.231 -1.181 -12.729 1.00 0.00 H new ATOM 0 HB3 ASP A 58 35.864 -1.596 -12.248 1.00 0.00 H new ATOM 909 N ARG A 59 36.130 -4.196 -10.596 1.00 0.00 N ATOM 910 CA ARG A 59 37.225 -5.091 -10.243 1.00 0.00 C ATOM 911 C ARG A 59 36.730 -6.236 -9.364 1.00 0.00 C ATOM 912 O ARG A 59 37.401 -6.636 -8.413 1.00 0.00 O ATOM 913 CB ARG A 59 38.330 -4.319 -9.519 1.00 0.00 C ATOM 914 CG ARG A 59 37.835 -3.532 -8.317 1.00 0.00 C ATOM 915 CD ARG A 59 38.982 -2.845 -7.591 1.00 0.00 C ATOM 916 NE ARG A 59 39.138 -3.338 -6.225 1.00 0.00 N ATOM 917 CZ ARG A 59 38.235 -3.152 -5.269 1.00 0.00 C ATOM 918 NH1 ARG A 59 37.117 -2.488 -5.528 1.00 0.00 N ATOM 919 NH2 ARG A 59 38.449 -3.631 -4.050 1.00 0.00 N ATOM 0 H ARG A 59 35.825 -3.584 -9.839 1.00 0.00 H new ATOM 0 HA ARG A 59 37.628 -5.511 -11.164 1.00 0.00 H new ATOM 0 HB2 ARG A 59 39.098 -5.021 -9.192 1.00 0.00 H new ATOM 0 HB3 ARG A 59 38.803 -3.633 -10.222 1.00 0.00 H new ATOM 0 HG2 ARG A 59 37.110 -2.786 -8.642 1.00 0.00 H new ATOM 0 HG3 ARG A 59 37.317 -4.202 -7.630 1.00 0.00 H new ATOM 0 HD2 ARG A 59 39.908 -3.006 -8.143 1.00 0.00 H new ATOM 0 HD3 ARG A 59 38.806 -1.770 -7.570 1.00 0.00 H new ATOM 0 HE ARG A 59 39.987 -3.853 -5.993 1.00 0.00 H new ATOM 0 HH11 ARG A 59 36.948 -2.118 -6.464 1.00 0.00 H new ATOM 0 HH12 ARG A 59 36.425 -2.347 -4.792 1.00 0.00 H new ATOM 0 HH21 ARG A 59 39.308 -4.143 -3.847 1.00 0.00 H new ATOM 0 HH22 ARG A 59 37.755 -3.488 -3.317 1.00 0.00 H new ATOM 933 N MET A 60 35.551 -6.757 -9.689 1.00 0.00 N ATOM 934 CA MET A 60 34.966 -7.855 -8.929 1.00 0.00 C ATOM 935 C MET A 60 35.444 -9.201 -9.464 1.00 0.00 C ATOM 936 O MET A 60 35.411 -9.449 -10.670 1.00 0.00 O ATOM 937 CB MET A 60 33.439 -7.785 -8.982 1.00 0.00 C ATOM 938 CG MET A 60 32.753 -8.989 -8.357 1.00 0.00 C ATOM 939 SD MET A 60 33.314 -9.312 -6.675 1.00 0.00 S ATOM 940 CE MET A 60 32.377 -8.087 -5.764 1.00 0.00 C ATOM 0 H MET A 60 34.983 -6.436 -10.473 1.00 0.00 H new ATOM 0 HA MET A 60 35.290 -7.760 -7.893 1.00 0.00 H new ATOM 0 HB2 MET A 60 33.107 -6.882 -8.470 1.00 0.00 H new ATOM 0 HB3 MET A 60 33.123 -7.697 -10.022 1.00 0.00 H new ATOM 0 HG2 MET A 60 31.675 -8.826 -8.351 1.00 0.00 H new ATOM 0 HG3 MET A 60 32.939 -9.869 -8.973 1.00 0.00 H new ATOM 0 HE1 MET A 60 33.048 -7.304 -5.412 1.00 0.00 H new ATOM 0 HE2 MET A 60 31.620 -7.650 -6.415 1.00 0.00 H new ATOM 0 HE3 MET A 60 31.892 -8.561 -4.910 1.00 0.00 H new ATOM 950 N THR A 61 35.889 -10.069 -8.561 1.00 0.00 N ATOM 951 CA THR A 61 36.374 -11.389 -8.943 1.00 0.00 C ATOM 952 C THR A 61 36.166 -12.398 -7.819 1.00 0.00 C ATOM 953 O THR A 61 36.170 -12.039 -6.641 1.00 0.00 O ATOM 954 CB THR A 61 37.868 -11.352 -9.314 1.00 0.00 C ATOM 955 OG1 THR A 61 38.251 -12.587 -9.930 1.00 0.00 O ATOM 956 CG2 THR A 61 38.726 -11.108 -8.082 1.00 0.00 C ATOM 0 H THR A 61 35.923 -9.881 -7.559 1.00 0.00 H new ATOM 0 HA THR A 61 35.798 -11.697 -9.815 1.00 0.00 H new ATOM 0 HB THR A 61 38.025 -10.532 -10.015 1.00 0.00 H new ATOM 0 HG1 THR A 61 39.202 -12.555 -10.164 1.00 0.00 H new ATOM 0 HG21 THR A 61 39.777 -11.086 -8.369 1.00 0.00 H new ATOM 0 HG22 THR A 61 38.453 -10.154 -7.632 1.00 0.00 H new ATOM 0 HG23 THR A 61 38.564 -11.909 -7.361 1.00 0.00 H new ATOM 964 N TYR A 62 35.986 -13.661 -8.189 1.00 0.00 N ATOM 965 CA TYR A 62 35.775 -14.722 -7.212 1.00 0.00 C ATOM 966 C TYR A 62 36.717 -14.561 -6.022 1.00 0.00 C ATOM 967 O TYR A 62 36.335 -14.804 -4.878 1.00 0.00 O ATOM 968 CB TYR A 62 35.985 -16.091 -7.861 1.00 0.00 C ATOM 969 CG TYR A 62 35.280 -17.217 -7.139 1.00 0.00 C ATOM 970 CD1 TYR A 62 33.930 -17.128 -6.823 1.00 0.00 C ATOM 971 CD2 TYR A 62 35.964 -18.370 -6.773 1.00 0.00 C ATOM 972 CE1 TYR A 62 33.282 -18.154 -6.163 1.00 0.00 C ATOM 973 CE2 TYR A 62 35.324 -19.401 -6.114 1.00 0.00 C ATOM 974 CZ TYR A 62 33.983 -19.289 -5.811 1.00 0.00 C ATOM 975 OH TYR A 62 33.341 -20.314 -5.154 1.00 0.00 O ATOM 0 H TYR A 62 35.982 -13.975 -9.159 1.00 0.00 H new ATOM 0 HA TYR A 62 34.748 -14.652 -6.853 1.00 0.00 H new ATOM 0 HB2 TYR A 62 35.631 -16.054 -8.891 1.00 0.00 H new ATOM 0 HB3 TYR A 62 37.053 -16.306 -7.898 1.00 0.00 H new ATOM 0 HD1 TYR A 62 33.378 -16.242 -7.098 1.00 0.00 H new ATOM 0 HD2 TYR A 62 37.014 -18.461 -7.008 1.00 0.00 H new ATOM 0 HE1 TYR A 62 32.232 -18.068 -5.924 1.00 0.00 H new ATOM 0 HE2 TYR A 62 35.871 -20.290 -5.837 1.00 0.00 H new ATOM 0 HH TYR A 62 33.708 -20.404 -4.250 1.00 0.00 H new ATOM 985 N GLU A 63 37.949 -14.149 -6.302 1.00 0.00 N ATOM 986 CA GLU A 63 38.946 -13.955 -5.255 1.00 0.00 C ATOM 987 C GLU A 63 38.421 -13.018 -4.172 1.00 0.00 C ATOM 988 O GLU A 63 38.633 -13.247 -2.981 1.00 0.00 O ATOM 989 CB GLU A 63 40.239 -13.394 -5.849 1.00 0.00 C ATOM 990 CG GLU A 63 41.444 -14.297 -5.648 1.00 0.00 C ATOM 991 CD GLU A 63 42.560 -14.010 -6.634 1.00 0.00 C ATOM 992 OE1 GLU A 63 42.477 -14.497 -7.781 1.00 0.00 O ATOM 993 OE2 GLU A 63 43.515 -13.299 -6.259 1.00 0.00 O ATOM 0 H GLU A 63 38.281 -13.943 -7.244 1.00 0.00 H new ATOM 0 HA GLU A 63 39.154 -14.924 -4.802 1.00 0.00 H new ATOM 0 HB2 GLU A 63 40.096 -13.226 -6.916 1.00 0.00 H new ATOM 0 HB3 GLU A 63 40.444 -12.423 -5.399 1.00 0.00 H new ATOM 0 HG2 GLU A 63 41.821 -14.173 -4.633 1.00 0.00 H new ATOM 0 HG3 GLU A 63 41.134 -15.337 -5.748 1.00 0.00 H new ATOM 1000 N LYS A 64 37.736 -11.960 -4.593 1.00 0.00 N ATOM 1001 CA LYS A 64 37.180 -10.987 -3.661 1.00 0.00 C ATOM 1002 C LYS A 64 35.788 -11.408 -3.201 1.00 0.00 C ATOM 1003 O LYS A 64 35.448 -11.285 -2.023 1.00 0.00 O ATOM 1004 CB LYS A 64 37.117 -9.604 -4.313 1.00 0.00 C ATOM 1005 CG LYS A 64 38.479 -9.039 -4.675 1.00 0.00 C ATOM 1006 CD LYS A 64 38.369 -7.630 -5.234 1.00 0.00 C ATOM 1007 CE LYS A 64 39.611 -7.244 -6.021 1.00 0.00 C ATOM 1008 NZ LYS A 64 40.438 -6.241 -5.295 1.00 0.00 N ATOM 0 H LYS A 64 37.553 -11.755 -5.575 1.00 0.00 H new ATOM 0 HA LYS A 64 37.833 -10.942 -2.789 1.00 0.00 H new ATOM 0 HB2 LYS A 64 36.507 -9.664 -5.214 1.00 0.00 H new ATOM 0 HB3 LYS A 64 36.616 -8.914 -3.634 1.00 0.00 H new ATOM 0 HG2 LYS A 64 39.117 -9.032 -3.791 1.00 0.00 H new ATOM 0 HG3 LYS A 64 38.959 -9.686 -5.409 1.00 0.00 H new ATOM 0 HD2 LYS A 64 37.493 -7.561 -5.878 1.00 0.00 H new ATOM 0 HD3 LYS A 64 38.221 -6.924 -4.417 1.00 0.00 H new ATOM 0 HE2 LYS A 64 40.209 -8.134 -6.216 1.00 0.00 H new ATOM 0 HE3 LYS A 64 39.316 -6.839 -6.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 40.872 -5.589 -5.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 39.836 -5.704 -4.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 41.184 -6.729 -4.759 1.00 0.00 H new ATOM 1022 N LEU A 65 34.987 -11.906 -4.136 1.00 0.00 N ATOM 1023 CA LEU A 65 33.631 -12.348 -3.826 1.00 0.00 C ATOM 1024 C LEU A 65 33.637 -13.374 -2.698 1.00 0.00 C ATOM 1025 O LEU A 65 32.793 -13.334 -1.803 1.00 0.00 O ATOM 1026 CB LEU A 65 32.971 -12.944 -5.070 1.00 0.00 C ATOM 1027 CG LEU A 65 31.575 -13.536 -4.871 1.00 0.00 C ATOM 1028 CD1 LEU A 65 30.680 -13.204 -6.055 1.00 0.00 C ATOM 1029 CD2 LEU A 65 31.658 -15.042 -4.669 1.00 0.00 C ATOM 0 H LEU A 65 35.252 -12.014 -5.115 1.00 0.00 H new ATOM 0 HA LEU A 65 33.058 -11.480 -3.499 1.00 0.00 H new ATOM 0 HB2 LEU A 65 32.909 -12.167 -5.832 1.00 0.00 H new ATOM 0 HB3 LEU A 65 33.622 -13.725 -5.464 1.00 0.00 H new ATOM 0 HG LEU A 65 31.138 -13.093 -3.976 1.00 0.00 H new ATOM 0 HD11 LEU A 65 29.691 -13.634 -5.895 1.00 0.00 H new ATOM 0 HD12 LEU A 65 30.594 -12.122 -6.154 1.00 0.00 H new ATOM 0 HD13 LEU A 65 31.113 -13.618 -6.966 1.00 0.00 H new ATOM 0 HD21 LEU A 65 30.655 -15.446 -4.529 1.00 0.00 H new ATOM 0 HD22 LEU A 65 32.116 -15.502 -5.545 1.00 0.00 H new ATOM 0 HD23 LEU A 65 32.263 -15.258 -3.788 1.00 0.00 H new ATOM 1041 N SER A 66 34.597 -14.293 -2.746 1.00 0.00 N ATOM 1042 CA SER A 66 34.712 -15.332 -1.729 1.00 0.00 C ATOM 1043 C SER A 66 34.793 -14.720 -0.334 1.00 0.00 C ATOM 1044 O SER A 66 34.335 -15.312 0.643 1.00 0.00 O ATOM 1045 CB SER A 66 35.947 -16.197 -1.991 1.00 0.00 C ATOM 1046 OG SER A 66 37.124 -15.560 -1.524 1.00 0.00 O ATOM 0 H SER A 66 35.306 -14.339 -3.478 1.00 0.00 H new ATOM 0 HA SER A 66 33.821 -15.958 -1.781 1.00 0.00 H new ATOM 0 HB2 SER A 66 35.831 -17.161 -1.497 1.00 0.00 H new ATOM 0 HB3 SER A 66 36.036 -16.395 -3.059 1.00 0.00 H new ATOM 0 HG SER A 66 37.398 -14.870 -2.163 1.00 0.00 H new ATOM 1052 N ARG A 67 35.379 -13.530 -0.250 1.00 0.00 N ATOM 1053 CA ARG A 67 35.521 -12.837 1.025 1.00 0.00 C ATOM 1054 C ARG A 67 34.221 -12.891 1.822 1.00 0.00 C ATOM 1055 O ARG A 67 34.236 -13.041 3.043 1.00 0.00 O ATOM 1056 CB ARG A 67 35.930 -11.381 0.795 1.00 0.00 C ATOM 1057 CG ARG A 67 34.752 -10.438 0.618 1.00 0.00 C ATOM 1058 CD ARG A 67 35.210 -8.996 0.465 1.00 0.00 C ATOM 1059 NE ARG A 67 34.705 -8.145 1.540 1.00 0.00 N ATOM 1060 CZ ARG A 67 35.303 -8.017 2.719 1.00 0.00 C ATOM 1061 NH1 ARG A 67 36.422 -8.681 2.974 1.00 0.00 N ATOM 1062 NH2 ARG A 67 34.783 -7.223 3.646 1.00 0.00 N ATOM 0 H ARG A 67 35.763 -13.026 -1.049 1.00 0.00 H new ATOM 0 HA ARG A 67 36.299 -13.340 1.598 1.00 0.00 H new ATOM 0 HB2 ARG A 67 36.531 -11.044 1.640 1.00 0.00 H new ATOM 0 HB3 ARG A 67 36.564 -11.326 -0.090 1.00 0.00 H new ATOM 0 HG2 ARG A 67 34.177 -10.733 -0.260 1.00 0.00 H new ATOM 0 HG3 ARG A 67 34.087 -10.520 1.477 1.00 0.00 H new ATOM 0 HD2 ARG A 67 36.299 -8.961 0.456 1.00 0.00 H new ATOM 0 HD3 ARG A 67 34.870 -8.607 -0.495 1.00 0.00 H new ATOM 0 HE ARG A 67 33.846 -7.620 1.376 1.00 0.00 H new ATOM 0 HH11 ARG A 67 36.826 -9.292 2.264 1.00 0.00 H new ATOM 0 HH12 ARG A 67 36.879 -8.581 3.880 1.00 0.00 H new ATOM 0 HH21 ARG A 67 33.923 -6.710 3.454 1.00 0.00 H new ATOM 0 HH22 ARG A 67 35.243 -7.126 4.551 1.00 0.00 H new ATOM 1076 N ALA A 68 33.098 -12.768 1.121 1.00 0.00 N ATOM 1077 CA ALA A 68 31.790 -12.804 1.763 1.00 0.00 C ATOM 1078 C ALA A 68 31.369 -14.237 2.069 1.00 0.00 C ATOM 1079 O ALA A 68 30.703 -14.499 3.072 1.00 0.00 O ATOM 1080 CB ALA A 68 30.752 -12.124 0.883 1.00 0.00 C ATOM 0 H ALA A 68 33.068 -12.643 0.109 1.00 0.00 H new ATOM 0 HA ALA A 68 31.860 -12.264 2.707 1.00 0.00 H new ATOM 0 HB1 ALA A 68 29.780 -12.158 1.375 1.00 0.00 H new ATOM 0 HB2 ALA A 68 31.039 -11.085 0.718 1.00 0.00 H new ATOM 0 HB3 ALA A 68 30.693 -12.641 -0.075 1.00 0.00 H new ATOM 1086 N LEU A 69 31.760 -15.163 1.200 1.00 0.00 N ATOM 1087 CA LEU A 69 31.422 -16.571 1.378 1.00 0.00 C ATOM 1088 C LEU A 69 32.011 -17.112 2.676 1.00 0.00 C ATOM 1089 O LEU A 69 31.346 -17.837 3.417 1.00 0.00 O ATOM 1090 CB LEU A 69 31.931 -17.391 0.192 1.00 0.00 C ATOM 1091 CG LEU A 69 31.312 -17.062 -1.167 1.00 0.00 C ATOM 1092 CD1 LEU A 69 31.919 -17.935 -2.255 1.00 0.00 C ATOM 1093 CD2 LEU A 69 29.801 -17.237 -1.122 1.00 0.00 C ATOM 0 H LEU A 69 32.311 -14.964 0.365 1.00 0.00 H new ATOM 0 HA LEU A 69 30.337 -16.655 1.431 1.00 0.00 H new ATOM 0 HB2 LEU A 69 33.010 -17.256 0.119 1.00 0.00 H new ATOM 0 HB3 LEU A 69 31.755 -18.446 0.403 1.00 0.00 H new ATOM 0 HG LEU A 69 31.530 -16.020 -1.401 1.00 0.00 H new ATOM 0 HD11 LEU A 69 31.467 -17.687 -3.215 1.00 0.00 H new ATOM 0 HD12 LEU A 69 32.994 -17.760 -2.304 1.00 0.00 H new ATOM 0 HD13 LEU A 69 31.732 -18.984 -2.026 1.00 0.00 H new ATOM 0 HD21 LEU A 69 29.378 -16.998 -2.098 1.00 0.00 H new ATOM 0 HD22 LEU A 69 29.562 -18.269 -0.865 1.00 0.00 H new ATOM 0 HD23 LEU A 69 29.380 -16.569 -0.371 1.00 0.00 H new ATOM 1105 N ARG A 70 33.262 -16.755 2.947 1.00 0.00 N ATOM 1106 CA ARG A 70 33.941 -17.204 4.156 1.00 0.00 C ATOM 1107 C ARG A 70 33.516 -16.368 5.360 1.00 0.00 C ATOM 1108 O ARG A 70 33.603 -16.819 6.503 1.00 0.00 O ATOM 1109 CB ARG A 70 35.458 -17.124 3.975 1.00 0.00 C ATOM 1110 CG ARG A 70 35.977 -17.954 2.813 1.00 0.00 C ATOM 1111 CD ARG A 70 36.937 -19.035 3.284 1.00 0.00 C ATOM 1112 NE ARG A 70 38.045 -19.227 2.353 1.00 0.00 N ATOM 1113 CZ ARG A 70 39.133 -19.933 2.640 1.00 0.00 C ATOM 1114 NH1 ARG A 70 39.258 -20.510 3.827 1.00 0.00 N ATOM 1115 NH2 ARG A 70 40.099 -20.063 1.740 1.00 0.00 N ATOM 0 H ARG A 70 33.826 -16.155 2.345 1.00 0.00 H new ATOM 0 HA ARG A 70 33.659 -18.241 4.337 1.00 0.00 H new ATOM 0 HB2 ARG A 70 35.743 -16.083 3.823 1.00 0.00 H new ATOM 0 HB3 ARG A 70 35.943 -17.456 4.893 1.00 0.00 H new ATOM 0 HG2 ARG A 70 35.138 -18.414 2.290 1.00 0.00 H new ATOM 0 HG3 ARG A 70 36.482 -17.305 2.098 1.00 0.00 H new ATOM 0 HD2 ARG A 70 37.330 -18.768 4.265 1.00 0.00 H new ATOM 0 HD3 ARG A 70 36.396 -19.974 3.402 1.00 0.00 H new ATOM 0 HE ARG A 70 37.980 -18.795 1.431 1.00 0.00 H new ATOM 0 HH11 ARG A 70 38.518 -20.412 4.522 1.00 0.00 H new ATOM 0 HH12 ARG A 70 40.094 -21.052 4.045 1.00 0.00 H new ATOM 0 HH21 ARG A 70 40.007 -19.620 0.826 1.00 0.00 H new ATOM 0 HH22 ARG A 70 40.934 -20.606 1.962 1.00 0.00 H new ATOM 1129 N TYR A 71 33.059 -15.150 5.096 1.00 0.00 N ATOM 1130 CA TYR A 71 32.624 -14.250 6.157 1.00 0.00 C ATOM 1131 C TYR A 71 31.177 -14.530 6.550 1.00 0.00 C ATOM 1132 O TYR A 71 30.667 -13.974 7.524 1.00 0.00 O ATOM 1133 CB TYR A 71 32.771 -12.794 5.712 1.00 0.00 C ATOM 1134 CG TYR A 71 32.225 -11.797 6.710 1.00 0.00 C ATOM 1135 CD1 TYR A 71 30.866 -11.515 6.767 1.00 0.00 C ATOM 1136 CD2 TYR A 71 33.068 -11.139 7.596 1.00 0.00 C ATOM 1137 CE1 TYR A 71 30.362 -10.605 7.676 1.00 0.00 C ATOM 1138 CE2 TYR A 71 32.574 -10.228 8.510 1.00 0.00 C ATOM 1139 CZ TYR A 71 31.220 -9.965 8.546 1.00 0.00 C ATOM 1140 OH TYR A 71 30.723 -9.059 9.454 1.00 0.00 O ATOM 0 H TYR A 71 32.980 -14.763 4.156 1.00 0.00 H new ATOM 0 HA TYR A 71 33.257 -14.423 7.027 1.00 0.00 H new ATOM 0 HB2 TYR A 71 33.826 -12.581 5.538 1.00 0.00 H new ATOM 0 HB3 TYR A 71 32.258 -12.660 4.760 1.00 0.00 H new ATOM 0 HD1 TYR A 71 30.191 -12.016 6.089 1.00 0.00 H new ATOM 0 HD2 TYR A 71 34.128 -11.343 7.570 1.00 0.00 H new ATOM 0 HE1 TYR A 71 29.303 -10.396 7.705 1.00 0.00 H new ATOM 0 HE2 TYR A 71 33.244 -9.725 9.192 1.00 0.00 H new ATOM 0 HH TYR A 71 31.458 -8.699 9.993 1.00 0.00 H new ATOM 1150 N TYR A 72 30.520 -15.395 5.785 1.00 0.00 N ATOM 1151 CA TYR A 72 29.131 -15.749 6.051 1.00 0.00 C ATOM 1152 C TYR A 72 29.042 -16.877 7.074 1.00 0.00 C ATOM 1153 O TYR A 72 27.989 -17.108 7.670 1.00 0.00 O ATOM 1154 CB TYR A 72 28.432 -16.164 4.755 1.00 0.00 C ATOM 1155 CG TYR A 72 27.858 -15.001 3.977 1.00 0.00 C ATOM 1156 CD1 TYR A 72 27.053 -14.054 4.598 1.00 0.00 C ATOM 1157 CD2 TYR A 72 28.121 -14.850 2.621 1.00 0.00 C ATOM 1158 CE1 TYR A 72 26.526 -12.991 3.891 1.00 0.00 C ATOM 1159 CE2 TYR A 72 27.600 -13.789 1.907 1.00 0.00 C ATOM 1160 CZ TYR A 72 26.803 -12.862 2.546 1.00 0.00 C ATOM 1161 OH TYR A 72 26.281 -11.804 1.838 1.00 0.00 O ATOM 0 H TYR A 72 30.927 -15.864 4.976 1.00 0.00 H new ATOM 0 HA TYR A 72 28.631 -14.872 6.461 1.00 0.00 H new ATOM 0 HB2 TYR A 72 29.143 -16.697 4.124 1.00 0.00 H new ATOM 0 HB3 TYR A 72 27.630 -16.863 4.992 1.00 0.00 H new ATOM 0 HD1 TYR A 72 26.836 -14.151 5.651 1.00 0.00 H new ATOM 0 HD2 TYR A 72 28.743 -15.575 2.117 1.00 0.00 H new ATOM 0 HE1 TYR A 72 25.900 -12.265 4.389 1.00 0.00 H new ATOM 0 HE2 TYR A 72 27.815 -13.686 0.854 1.00 0.00 H new ATOM 0 HH TYR A 72 27.001 -11.184 1.598 1.00 0.00 H new ATOM 1171 N TYR A 73 30.154 -17.575 7.273 1.00 0.00 N ATOM 1172 CA TYR A 73 30.203 -18.681 8.222 1.00 0.00 C ATOM 1173 C TYR A 73 30.297 -18.165 9.655 1.00 0.00 C ATOM 1174 O TYR A 73 30.144 -18.923 10.613 1.00 0.00 O ATOM 1175 CB TYR A 73 31.394 -19.590 7.917 1.00 0.00 C ATOM 1176 CG TYR A 73 31.377 -20.161 6.517 1.00 0.00 C ATOM 1177 CD1 TYR A 73 30.300 -20.914 6.066 1.00 0.00 C ATOM 1178 CD2 TYR A 73 32.438 -19.949 5.646 1.00 0.00 C ATOM 1179 CE1 TYR A 73 30.280 -21.439 4.788 1.00 0.00 C ATOM 1180 CE2 TYR A 73 32.426 -20.468 4.366 1.00 0.00 C ATOM 1181 CZ TYR A 73 31.345 -21.212 3.942 1.00 0.00 C ATOM 1182 OH TYR A 73 31.330 -21.732 2.668 1.00 0.00 O ATOM 0 H TYR A 73 31.034 -17.395 6.790 1.00 0.00 H new ATOM 0 HA TYR A 73 29.282 -19.254 8.121 1.00 0.00 H new ATOM 0 HB2 TYR A 73 32.316 -19.027 8.059 1.00 0.00 H new ATOM 0 HB3 TYR A 73 31.408 -20.410 8.635 1.00 0.00 H new ATOM 0 HD1 TYR A 73 29.464 -21.092 6.726 1.00 0.00 H new ATOM 0 HD2 TYR A 73 33.287 -19.368 5.975 1.00 0.00 H new ATOM 0 HE1 TYR A 73 29.436 -22.023 4.454 1.00 0.00 H new ATOM 0 HE2 TYR A 73 33.259 -20.292 3.701 1.00 0.00 H new ATOM 0 HH TYR A 73 32.154 -21.479 2.202 1.00 0.00 H new ATOM 1192 N LYS A 74 30.549 -16.868 9.794 1.00 0.00 N ATOM 1193 CA LYS A 74 30.661 -16.246 11.109 1.00 0.00 C ATOM 1194 C LYS A 74 29.284 -16.031 11.729 1.00 0.00 C ATOM 1195 O LYS A 74 29.075 -16.302 12.912 1.00 0.00 O ATOM 1196 CB LYS A 74 31.399 -14.910 11.002 1.00 0.00 C ATOM 1197 CG LYS A 74 32.667 -14.979 10.170 1.00 0.00 C ATOM 1198 CD LYS A 74 33.863 -14.427 10.928 1.00 0.00 C ATOM 1199 CE LYS A 74 35.175 -14.888 10.312 1.00 0.00 C ATOM 1200 NZ LYS A 74 35.559 -16.248 10.779 1.00 0.00 N ATOM 0 H LYS A 74 30.680 -16.226 9.012 1.00 0.00 H new ATOM 0 HA LYS A 74 31.229 -16.917 11.754 1.00 0.00 H new ATOM 0 HB2 LYS A 74 30.729 -14.169 10.567 1.00 0.00 H new ATOM 0 HB3 LYS A 74 31.651 -14.563 12.004 1.00 0.00 H new ATOM 0 HG2 LYS A 74 32.861 -16.013 9.886 1.00 0.00 H new ATOM 0 HG3 LYS A 74 32.529 -14.416 9.247 1.00 0.00 H new ATOM 0 HD2 LYS A 74 33.823 -13.338 10.929 1.00 0.00 H new ATOM 0 HD3 LYS A 74 33.816 -14.749 11.968 1.00 0.00 H new ATOM 0 HE2 LYS A 74 35.086 -14.889 9.226 1.00 0.00 H new ATOM 0 HE3 LYS A 74 35.964 -14.180 10.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 36.458 -16.526 10.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 35.669 -16.242 11.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 34.818 -16.928 10.514 1.00 0.00 H new ATOM 1214 N THR A 75 28.346 -15.544 10.922 1.00 0.00 N ATOM 1215 CA THR A 75 26.990 -15.294 11.391 1.00 0.00 C ATOM 1216 C THR A 75 26.115 -16.532 11.230 1.00 0.00 C ATOM 1217 O THR A 75 25.184 -16.751 12.005 1.00 0.00 O ATOM 1218 CB THR A 75 26.342 -14.119 10.634 1.00 0.00 C ATOM 1219 OG1 THR A 75 25.953 -14.537 9.321 1.00 0.00 O ATOM 1220 CG2 THR A 75 27.302 -12.944 10.534 1.00 0.00 C ATOM 0 H THR A 75 28.502 -15.315 9.940 1.00 0.00 H new ATOM 0 HA THR A 75 27.063 -15.040 12.448 1.00 0.00 H new ATOM 0 HB THR A 75 25.460 -13.800 11.190 1.00 0.00 H new ATOM 0 HG1 THR A 75 26.148 -13.823 8.679 1.00 0.00 H new ATOM 0 HG21 THR A 75 26.822 -12.127 9.996 1.00 0.00 H new ATOM 0 HG22 THR A 75 27.573 -12.609 11.535 1.00 0.00 H new ATOM 0 HG23 THR A 75 28.200 -13.253 9.999 1.00 0.00 H new ATOM 1228 N GLY A 76 26.420 -17.339 10.219 1.00 0.00 N ATOM 1229 CA GLY A 76 25.651 -18.546 9.975 1.00 0.00 C ATOM 1230 C GLY A 76 24.981 -18.542 8.616 1.00 0.00 C ATOM 1231 O GLY A 76 24.342 -19.521 8.228 1.00 0.00 O ATOM 0 H GLY A 76 27.186 -17.179 9.564 1.00 0.00 H new ATOM 0 HA2 GLY A 76 26.308 -19.413 10.050 1.00 0.00 H new ATOM 0 HA3 GLY A 76 24.892 -18.653 10.750 1.00 0.00 H new ATOM 1235 N ILE A 77 25.124 -17.438 7.890 1.00 0.00 N ATOM 1236 CA ILE A 77 24.527 -17.311 6.567 1.00 0.00 C ATOM 1237 C ILE A 77 24.854 -18.521 5.698 1.00 0.00 C ATOM 1238 O ILE A 77 23.968 -19.109 5.075 1.00 0.00 O ATOM 1239 CB ILE A 77 25.008 -16.034 5.852 1.00 0.00 C ATOM 1240 CG1 ILE A 77 24.396 -14.795 6.508 1.00 0.00 C ATOM 1241 CG2 ILE A 77 24.652 -16.089 4.374 1.00 0.00 C ATOM 1242 CD1 ILE A 77 22.900 -14.685 6.315 1.00 0.00 C ATOM 0 H ILE A 77 25.648 -16.619 8.196 1.00 0.00 H new ATOM 0 HA ILE A 77 23.448 -17.252 6.712 1.00 0.00 H new ATOM 0 HB ILE A 77 26.092 -15.971 5.942 1.00 0.00 H new ATOM 0 HG12 ILE A 77 24.616 -14.813 7.575 1.00 0.00 H new ATOM 0 HG13 ILE A 77 24.873 -13.904 6.099 1.00 0.00 H new ATOM 0 HG21 ILE A 77 24.998 -15.180 3.882 1.00 0.00 H new ATOM 0 HG22 ILE A 77 25.131 -16.954 3.916 1.00 0.00 H new ATOM 0 HG23 ILE A 77 23.571 -16.172 4.263 1.00 0.00 H new ATOM 0 HD11 ILE A 77 22.535 -13.783 6.807 1.00 0.00 H new ATOM 0 HD12 ILE A 77 22.673 -14.635 5.250 1.00 0.00 H new ATOM 0 HD13 ILE A 77 22.412 -15.558 6.749 1.00 0.00 H new ATOM 1254 N LEU A 78 26.129 -18.889 5.662 1.00 0.00 N ATOM 1255 CA LEU A 78 26.574 -20.031 4.870 1.00 0.00 C ATOM 1256 C LEU A 78 27.037 -21.171 5.772 1.00 0.00 C ATOM 1257 O LEU A 78 27.283 -20.973 6.961 1.00 0.00 O ATOM 1258 CB LEU A 78 27.708 -19.615 3.931 1.00 0.00 C ATOM 1259 CG LEU A 78 27.287 -19.135 2.542 1.00 0.00 C ATOM 1260 CD1 LEU A 78 28.478 -18.554 1.795 1.00 0.00 C ATOM 1261 CD2 LEU A 78 26.663 -20.275 1.750 1.00 0.00 C ATOM 0 H LEU A 78 26.874 -18.414 6.172 1.00 0.00 H new ATOM 0 HA LEU A 78 25.730 -20.382 4.276 1.00 0.00 H new ATOM 0 HB2 LEU A 78 28.277 -18.819 4.411 1.00 0.00 H new ATOM 0 HB3 LEU A 78 28.383 -20.462 3.811 1.00 0.00 H new ATOM 0 HG LEU A 78 26.540 -18.350 2.661 1.00 0.00 H new ATOM 0 HD11 LEU A 78 28.160 -18.217 0.808 1.00 0.00 H new ATOM 0 HD12 LEU A 78 28.881 -17.710 2.354 1.00 0.00 H new ATOM 0 HD13 LEU A 78 29.248 -19.318 1.687 1.00 0.00 H new ATOM 0 HD21 LEU A 78 26.369 -19.915 0.764 1.00 0.00 H new ATOM 0 HD22 LEU A 78 27.388 -21.082 1.641 1.00 0.00 H new ATOM 0 HD23 LEU A 78 25.784 -20.646 2.277 1.00 0.00 H new ATOM 1273 N GLU A 79 27.155 -22.363 5.196 1.00 0.00 N ATOM 1274 CA GLU A 79 27.591 -23.534 5.948 1.00 0.00 C ATOM 1275 C GLU A 79 28.867 -24.120 5.352 1.00 0.00 C ATOM 1276 O GLU A 79 28.858 -24.661 4.246 1.00 0.00 O ATOM 1277 CB GLU A 79 26.489 -24.595 5.965 1.00 0.00 C ATOM 1278 CG GLU A 79 25.598 -24.530 7.194 1.00 0.00 C ATOM 1279 CD GLU A 79 24.825 -25.813 7.424 1.00 0.00 C ATOM 1280 OE1 GLU A 79 25.328 -26.887 7.031 1.00 0.00 O ATOM 1281 OE2 GLU A 79 23.717 -25.745 7.996 1.00 0.00 O ATOM 0 H GLU A 79 26.955 -22.543 4.212 1.00 0.00 H new ATOM 0 HA GLU A 79 27.800 -23.220 6.971 1.00 0.00 H new ATOM 0 HB2 GLU A 79 25.872 -24.480 5.074 1.00 0.00 H new ATOM 0 HB3 GLU A 79 26.947 -25.583 5.911 1.00 0.00 H new ATOM 0 HG2 GLU A 79 26.210 -24.317 8.071 1.00 0.00 H new ATOM 0 HG3 GLU A 79 24.897 -23.702 7.086 1.00 0.00 H new ATOM 1288 N ARG A 80 29.965 -24.007 6.093 1.00 0.00 N ATOM 1289 CA ARG A 80 31.250 -24.524 5.638 1.00 0.00 C ATOM 1290 C ARG A 80 31.097 -25.924 5.052 1.00 0.00 C ATOM 1291 O ARG A 80 30.777 -26.875 5.764 1.00 0.00 O ATOM 1292 CB ARG A 80 32.251 -24.550 6.794 1.00 0.00 C ATOM 1293 CG ARG A 80 33.689 -24.315 6.361 1.00 0.00 C ATOM 1294 CD ARG A 80 34.449 -23.482 7.380 1.00 0.00 C ATOM 1295 NE ARG A 80 35.597 -24.200 7.928 1.00 0.00 N ATOM 1296 CZ ARG A 80 36.766 -24.302 7.304 1.00 0.00 C ATOM 1297 NH1 ARG A 80 36.940 -23.734 6.119 1.00 0.00 N ATOM 1298 NH2 ARG A 80 37.763 -24.972 7.867 1.00 0.00 N ATOM 0 H ARG A 80 29.990 -23.562 7.011 1.00 0.00 H new ATOM 0 HA ARG A 80 31.624 -23.862 4.857 1.00 0.00 H new ATOM 0 HB2 ARG A 80 31.971 -23.789 7.523 1.00 0.00 H new ATOM 0 HB3 ARG A 80 32.185 -25.514 7.298 1.00 0.00 H new ATOM 0 HG2 ARG A 80 34.191 -25.273 6.226 1.00 0.00 H new ATOM 0 HG3 ARG A 80 33.701 -23.810 5.395 1.00 0.00 H new ATOM 0 HD2 ARG A 80 34.789 -22.558 6.912 1.00 0.00 H new ATOM 0 HD3 ARG A 80 33.777 -23.200 8.191 1.00 0.00 H new ATOM 0 HE ARG A 80 35.496 -24.647 8.839 1.00 0.00 H new ATOM 0 HH11 ARG A 80 36.176 -23.217 5.684 1.00 0.00 H new ATOM 0 HH12 ARG A 80 37.838 -23.814 5.642 1.00 0.00 H new ATOM 0 HH21 ARG A 80 37.633 -25.409 8.779 1.00 0.00 H new ATOM 0 HH22 ARG A 80 38.660 -25.050 7.388 1.00 0.00 H new ATOM 1312 N VAL A 81 31.326 -26.042 3.748 1.00 0.00 N ATOM 1313 CA VAL A 81 31.215 -27.326 3.065 1.00 0.00 C ATOM 1314 C VAL A 81 32.590 -27.922 2.787 1.00 0.00 C ATOM 1315 O VAL A 81 33.547 -27.199 2.510 1.00 0.00 O ATOM 1316 CB VAL A 81 30.448 -27.190 1.736 1.00 0.00 C ATOM 1317 CG1 VAL A 81 30.264 -28.552 1.084 1.00 0.00 C ATOM 1318 CG2 VAL A 81 29.105 -26.513 1.964 1.00 0.00 C ATOM 0 H VAL A 81 31.590 -25.264 3.143 1.00 0.00 H new ATOM 0 HA VAL A 81 30.662 -27.991 3.729 1.00 0.00 H new ATOM 0 HB VAL A 81 31.034 -26.567 1.060 1.00 0.00 H new ATOM 0 HG11 VAL A 81 29.720 -28.436 0.146 1.00 0.00 H new ATOM 0 HG12 VAL A 81 31.240 -28.995 0.885 1.00 0.00 H new ATOM 0 HG13 VAL A 81 29.700 -29.202 1.753 1.00 0.00 H new ATOM 0 HG21 VAL A 81 28.576 -26.425 1.015 1.00 0.00 H new ATOM 0 HG22 VAL A 81 28.510 -27.108 2.657 1.00 0.00 H new ATOM 0 HG23 VAL A 81 29.265 -25.520 2.384 1.00 0.00 H new ATOM 1328 N ASP A 82 32.681 -29.245 2.862 1.00 0.00 N ATOM 1329 CA ASP A 82 33.939 -29.940 2.617 1.00 0.00 C ATOM 1330 C ASP A 82 33.947 -30.576 1.230 1.00 0.00 C ATOM 1331 O ASP A 82 34.456 -31.682 1.047 1.00 0.00 O ATOM 1332 CB ASP A 82 34.172 -31.011 3.684 1.00 0.00 C ATOM 1333 CG ASP A 82 34.475 -30.415 5.045 1.00 0.00 C ATOM 1334 OD1 ASP A 82 33.517 -30.060 5.763 1.00 0.00 O ATOM 1335 OD2 ASP A 82 35.670 -30.304 5.392 1.00 0.00 O ATOM 0 H ASP A 82 31.898 -29.858 3.091 1.00 0.00 H new ATOM 0 HA ASP A 82 34.745 -29.208 2.667 1.00 0.00 H new ATOM 0 HB2 ASP A 82 33.289 -31.646 3.757 1.00 0.00 H new ATOM 0 HB3 ASP A 82 35.000 -31.651 3.378 1.00 0.00 H new ATOM 1340 N ARG A 83 33.379 -29.871 0.258 1.00 0.00 N ATOM 1341 CA ARG A 83 33.319 -30.368 -1.111 1.00 0.00 C ATOM 1342 C ARG A 83 34.072 -29.440 -2.060 1.00 0.00 C ATOM 1343 O ARG A 83 34.678 -28.458 -1.632 1.00 0.00 O ATOM 1344 CB ARG A 83 31.864 -30.504 -1.563 1.00 0.00 C ATOM 1345 CG ARG A 83 31.230 -31.832 -1.183 1.00 0.00 C ATOM 1346 CD ARG A 83 30.050 -31.638 -0.244 1.00 0.00 C ATOM 1347 NE ARG A 83 30.423 -31.845 1.153 1.00 0.00 N ATOM 1348 CZ ARG A 83 30.585 -33.044 1.700 1.00 0.00 C ATOM 1349 NH1 ARG A 83 30.409 -34.138 0.972 1.00 0.00 N ATOM 1350 NH2 ARG A 83 30.925 -33.151 2.978 1.00 0.00 N ATOM 0 H ARG A 83 32.954 -28.954 0.393 1.00 0.00 H new ATOM 0 HA ARG A 83 33.794 -31.349 -1.136 1.00 0.00 H new ATOM 0 HB2 ARG A 83 31.280 -29.694 -1.127 1.00 0.00 H new ATOM 0 HB3 ARG A 83 31.816 -30.385 -2.645 1.00 0.00 H new ATOM 0 HG2 ARG A 83 30.898 -32.349 -2.084 1.00 0.00 H new ATOM 0 HG3 ARG A 83 31.975 -32.469 -0.706 1.00 0.00 H new ATOM 0 HD2 ARG A 83 29.650 -30.631 -0.367 1.00 0.00 H new ATOM 0 HD3 ARG A 83 29.254 -32.332 -0.514 1.00 0.00 H new ATOM 0 HE ARG A 83 30.567 -31.024 1.740 1.00 0.00 H new ATOM 0 HH11 ARG A 83 30.148 -34.060 -0.011 1.00 0.00 H new ATOM 0 HH12 ARG A 83 30.534 -35.058 1.395 1.00 0.00 H new ATOM 0 HH21 ARG A 83 31.062 -32.312 3.541 1.00 0.00 H new ATOM 0 HH22 ARG A 83 31.049 -34.073 3.397 1.00 0.00 H new ATOM 1364 N ARG A 84 34.031 -29.760 -3.349 1.00 0.00 N ATOM 1365 CA ARG A 84 34.711 -28.957 -4.358 1.00 0.00 C ATOM 1366 C ARG A 84 33.751 -27.955 -4.994 1.00 0.00 C ATOM 1367 O ARG A 84 32.756 -28.338 -5.611 1.00 0.00 O ATOM 1368 CB ARG A 84 35.313 -29.858 -5.438 1.00 0.00 C ATOM 1369 CG ARG A 84 35.879 -29.094 -6.623 1.00 0.00 C ATOM 1370 CD ARG A 84 37.131 -29.762 -7.170 1.00 0.00 C ATOM 1371 NE ARG A 84 36.927 -30.288 -8.516 1.00 0.00 N ATOM 1372 CZ ARG A 84 36.378 -31.472 -8.767 1.00 0.00 C ATOM 1373 NH1 ARG A 84 35.981 -32.248 -7.768 1.00 0.00 N ATOM 1374 NH2 ARG A 84 36.226 -31.882 -10.020 1.00 0.00 N ATOM 0 H ARG A 84 33.534 -30.570 -3.719 1.00 0.00 H new ATOM 0 HA ARG A 84 35.512 -28.405 -3.867 1.00 0.00 H new ATOM 0 HB2 ARG A 84 36.104 -30.463 -4.995 1.00 0.00 H new ATOM 0 HB3 ARG A 84 34.547 -30.547 -5.793 1.00 0.00 H new ATOM 0 HG2 ARG A 84 35.127 -29.030 -7.409 1.00 0.00 H new ATOM 0 HG3 ARG A 84 36.112 -28.073 -6.321 1.00 0.00 H new ATOM 0 HD2 ARG A 84 37.950 -29.043 -7.182 1.00 0.00 H new ATOM 0 HD3 ARG A 84 37.429 -30.573 -6.505 1.00 0.00 H new ATOM 0 HE ARG A 84 37.222 -29.716 -9.307 1.00 0.00 H new ATOM 0 HH11 ARG A 84 36.097 -31.937 -6.804 1.00 0.00 H new ATOM 0 HH12 ARG A 84 35.560 -33.156 -7.964 1.00 0.00 H new ATOM 0 HH21 ARG A 84 36.531 -31.288 -10.791 1.00 0.00 H new ATOM 0 HH22 ARG A 84 35.805 -32.791 -10.212 1.00 0.00 H new ATOM 1388 N LEU A 85 34.055 -26.671 -4.837 1.00 0.00 N ATOM 1389 CA LEU A 85 33.219 -25.614 -5.395 1.00 0.00 C ATOM 1390 C LEU A 85 31.744 -25.878 -5.110 1.00 0.00 C ATOM 1391 O LEU A 85 30.887 -25.668 -5.969 1.00 0.00 O ATOM 1392 CB LEU A 85 33.446 -25.500 -6.904 1.00 0.00 C ATOM 1393 CG LEU A 85 34.592 -24.588 -7.343 1.00 0.00 C ATOM 1394 CD1 LEU A 85 34.297 -23.143 -6.971 1.00 0.00 C ATOM 1395 CD2 LEU A 85 35.904 -25.043 -6.721 1.00 0.00 C ATOM 0 H LEU A 85 34.874 -26.337 -4.328 1.00 0.00 H new ATOM 0 HA LEU A 85 33.499 -24.674 -4.919 1.00 0.00 H new ATOM 0 HB2 LEU A 85 33.631 -26.499 -7.300 1.00 0.00 H new ATOM 0 HB3 LEU A 85 32.525 -25.140 -7.364 1.00 0.00 H new ATOM 0 HG LEU A 85 34.686 -24.651 -8.427 1.00 0.00 H new ATOM 0 HD11 LEU A 85 35.124 -22.509 -7.291 1.00 0.00 H new ATOM 0 HD12 LEU A 85 33.380 -22.820 -7.464 1.00 0.00 H new ATOM 0 HD13 LEU A 85 34.176 -23.063 -5.891 1.00 0.00 H new ATOM 0 HD21 LEU A 85 36.708 -24.382 -7.044 1.00 0.00 H new ATOM 0 HD22 LEU A 85 35.822 -25.010 -5.635 1.00 0.00 H new ATOM 0 HD23 LEU A 85 36.122 -26.063 -7.038 1.00 0.00 H new ATOM 1407 N VAL A 86 31.454 -26.338 -3.896 1.00 0.00 N ATOM 1408 CA VAL A 86 30.083 -26.627 -3.496 1.00 0.00 C ATOM 1409 C VAL A 86 29.759 -25.995 -2.147 1.00 0.00 C ATOM 1410 O VAL A 86 30.279 -26.413 -1.113 1.00 0.00 O ATOM 1411 CB VAL A 86 29.830 -28.144 -3.413 1.00 0.00 C ATOM 1412 CG1 VAL A 86 28.407 -28.425 -2.955 1.00 0.00 C ATOM 1413 CG2 VAL A 86 30.107 -28.804 -4.756 1.00 0.00 C ATOM 0 H VAL A 86 32.151 -26.518 -3.173 1.00 0.00 H new ATOM 0 HA VAL A 86 29.434 -26.199 -4.260 1.00 0.00 H new ATOM 0 HB VAL A 86 30.513 -28.569 -2.677 1.00 0.00 H new ATOM 0 HG11 VAL A 86 28.248 -29.502 -2.903 1.00 0.00 H new ATOM 0 HG12 VAL A 86 28.249 -27.986 -1.970 1.00 0.00 H new ATOM 0 HG13 VAL A 86 27.704 -27.988 -3.664 1.00 0.00 H new ATOM 0 HG21 VAL A 86 29.923 -29.876 -4.680 1.00 0.00 H new ATOM 0 HG22 VAL A 86 29.450 -28.376 -5.514 1.00 0.00 H new ATOM 0 HG23 VAL A 86 31.146 -28.633 -5.038 1.00 0.00 H new ATOM 1423 N TYR A 87 28.896 -24.985 -2.166 1.00 0.00 N ATOM 1424 CA TYR A 87 28.504 -24.293 -0.944 1.00 0.00 C ATOM 1425 C TYR A 87 27.068 -24.637 -0.560 1.00 0.00 C ATOM 1426 O TYR A 87 26.349 -25.289 -1.317 1.00 0.00 O ATOM 1427 CB TYR A 87 28.647 -22.780 -1.121 1.00 0.00 C ATOM 1428 CG TYR A 87 30.059 -22.338 -1.433 1.00 0.00 C ATOM 1429 CD1 TYR A 87 30.656 -22.655 -2.647 1.00 0.00 C ATOM 1430 CD2 TYR A 87 30.796 -21.602 -0.513 1.00 0.00 C ATOM 1431 CE1 TYR A 87 31.946 -22.254 -2.935 1.00 0.00 C ATOM 1432 CE2 TYR A 87 32.086 -21.196 -0.793 1.00 0.00 C ATOM 1433 CZ TYR A 87 32.657 -21.524 -2.005 1.00 0.00 C ATOM 1434 OH TYR A 87 33.942 -21.122 -2.289 1.00 0.00 O ATOM 0 H TYR A 87 28.455 -24.628 -3.013 1.00 0.00 H new ATOM 0 HA TYR A 87 29.165 -24.623 -0.142 1.00 0.00 H new ATOM 0 HB2 TYR A 87 27.987 -22.453 -1.924 1.00 0.00 H new ATOM 0 HB3 TYR A 87 28.312 -22.283 -0.211 1.00 0.00 H new ATOM 0 HD1 TYR A 87 30.102 -23.225 -3.378 1.00 0.00 H new ATOM 0 HD2 TYR A 87 30.352 -21.343 0.437 1.00 0.00 H new ATOM 0 HE1 TYR A 87 32.396 -22.510 -3.883 1.00 0.00 H new ATOM 0 HE2 TYR A 87 32.645 -20.625 -0.067 1.00 0.00 H new ATOM 0 HH TYR A 87 34.302 -20.617 -1.530 1.00 0.00 H new ATOM 1444 N LYS A 88 26.656 -24.193 0.623 1.00 0.00 N ATOM 1445 CA LYS A 88 25.306 -24.451 1.110 1.00 0.00 C ATOM 1446 C LYS A 88 24.851 -23.348 2.061 1.00 0.00 C ATOM 1447 O LYS A 88 25.614 -22.897 2.915 1.00 0.00 O ATOM 1448 CB LYS A 88 25.248 -25.806 1.819 1.00 0.00 C ATOM 1449 CG LYS A 88 23.899 -26.105 2.450 1.00 0.00 C ATOM 1450 CD LYS A 88 24.040 -26.992 3.675 1.00 0.00 C ATOM 1451 CE LYS A 88 22.885 -27.975 3.788 1.00 0.00 C ATOM 1452 NZ LYS A 88 22.211 -27.889 5.113 1.00 0.00 N ATOM 0 H LYS A 88 27.238 -23.652 1.263 1.00 0.00 H new ATOM 0 HA LYS A 88 24.634 -24.467 0.252 1.00 0.00 H new ATOM 0 HB2 LYS A 88 25.487 -26.592 1.103 1.00 0.00 H new ATOM 0 HB3 LYS A 88 26.016 -25.835 2.592 1.00 0.00 H new ATOM 0 HG2 LYS A 88 23.413 -25.171 2.730 1.00 0.00 H new ATOM 0 HG3 LYS A 88 23.255 -26.593 1.719 1.00 0.00 H new ATOM 0 HD2 LYS A 88 24.981 -27.539 3.623 1.00 0.00 H new ATOM 0 HD3 LYS A 88 24.081 -26.373 4.571 1.00 0.00 H new ATOM 0 HE2 LYS A 88 22.160 -27.776 2.998 1.00 0.00 H new ATOM 0 HE3 LYS A 88 23.255 -28.989 3.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 21.430 -28.574 5.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 22.896 -28.104 5.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 21.836 -26.929 5.250 1.00 0.00 H new ATOM 1466 N PHE A 89 23.602 -22.920 1.908 1.00 0.00 N ATOM 1467 CA PHE A 89 23.045 -21.870 2.753 1.00 0.00 C ATOM 1468 C PHE A 89 22.661 -22.422 4.123 1.00 0.00 C ATOM 1469 O PHE A 89 22.018 -23.465 4.226 1.00 0.00 O ATOM 1470 CB PHE A 89 21.822 -21.241 2.083 1.00 0.00 C ATOM 1471 CG PHE A 89 22.124 -20.618 0.750 1.00 0.00 C ATOM 1472 CD1 PHE A 89 22.620 -19.327 0.670 1.00 0.00 C ATOM 1473 CD2 PHE A 89 21.911 -21.324 -0.423 1.00 0.00 C ATOM 1474 CE1 PHE A 89 22.898 -18.751 -0.556 1.00 0.00 C ATOM 1475 CE2 PHE A 89 22.188 -20.754 -1.651 1.00 0.00 C ATOM 1476 CZ PHE A 89 22.681 -19.465 -1.718 1.00 0.00 C ATOM 0 H PHE A 89 22.957 -23.284 1.207 1.00 0.00 H new ATOM 0 HA PHE A 89 23.809 -21.105 2.890 1.00 0.00 H new ATOM 0 HB2 PHE A 89 21.056 -22.005 1.953 1.00 0.00 H new ATOM 0 HB3 PHE A 89 21.406 -20.481 2.744 1.00 0.00 H new ATOM 0 HD1 PHE A 89 22.792 -18.764 1.576 1.00 0.00 H new ATOM 0 HD2 PHE A 89 21.524 -22.331 -0.377 1.00 0.00 H new ATOM 0 HE1 PHE A 89 23.284 -17.744 -0.605 1.00 0.00 H new ATOM 0 HE2 PHE A 89 22.019 -21.316 -2.558 1.00 0.00 H new ATOM 0 HZ PHE A 89 22.896 -19.017 -2.677 1.00 0.00 H new ATOM 1486 N GLY A 90 23.061 -21.712 5.174 1.00 0.00 N ATOM 1487 CA GLY A 90 22.751 -22.146 6.524 1.00 0.00 C ATOM 1488 C GLY A 90 21.330 -21.807 6.929 1.00 0.00 C ATOM 1489 O GLY A 90 20.421 -21.813 6.099 1.00 0.00 O ATOM 0 H GLY A 90 23.594 -20.844 5.115 1.00 0.00 H new ATOM 0 HA2 GLY A 90 22.900 -23.223 6.600 1.00 0.00 H new ATOM 0 HA3 GLY A 90 23.446 -21.678 7.221 1.00 0.00 H new ATOM 1493 N LYS A 91 21.136 -21.513 8.210 1.00 0.00 N ATOM 1494 CA LYS A 91 19.816 -21.171 8.726 1.00 0.00 C ATOM 1495 C LYS A 91 19.622 -19.658 8.765 1.00 0.00 C ATOM 1496 O LYS A 91 18.496 -19.166 8.714 1.00 0.00 O ATOM 1497 CB LYS A 91 19.625 -21.756 10.127 1.00 0.00 C ATOM 1498 CG LYS A 91 20.443 -21.053 11.196 1.00 0.00 C ATOM 1499 CD LYS A 91 20.942 -22.029 12.248 1.00 0.00 C ATOM 1500 CE LYS A 91 21.277 -21.321 13.552 1.00 0.00 C ATOM 1501 NZ LYS A 91 22.322 -22.047 14.325 1.00 0.00 N ATOM 0 H LYS A 91 21.877 -21.505 8.911 1.00 0.00 H new ATOM 0 HA LYS A 91 19.070 -21.599 8.056 1.00 0.00 H new ATOM 0 HB2 LYS A 91 18.570 -21.701 10.394 1.00 0.00 H new ATOM 0 HB3 LYS A 91 19.895 -22.812 10.111 1.00 0.00 H new ATOM 0 HG2 LYS A 91 21.292 -20.550 10.733 1.00 0.00 H new ATOM 0 HG3 LYS A 91 19.836 -20.283 11.672 1.00 0.00 H new ATOM 0 HD2 LYS A 91 20.182 -22.789 12.430 1.00 0.00 H new ATOM 0 HD3 LYS A 91 21.827 -22.546 11.876 1.00 0.00 H new ATOM 0 HE2 LYS A 91 21.621 -20.309 13.338 1.00 0.00 H new ATOM 0 HE3 LYS A 91 20.375 -21.230 14.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 22.522 -21.533 15.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 21.984 -23.004 14.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 23.191 -22.112 13.757 1.00 0.00 H new ATOM 1515 N ASN A 92 20.728 -18.927 8.854 1.00 0.00 N ATOM 1516 CA ASN A 92 20.679 -17.470 8.898 1.00 0.00 C ATOM 1517 C ASN A 92 20.005 -16.910 7.650 1.00 0.00 C ATOM 1518 O ASN A 92 19.273 -15.922 7.717 1.00 0.00 O ATOM 1519 CB ASN A 92 22.091 -16.895 9.030 1.00 0.00 C ATOM 1520 CG ASN A 92 22.408 -16.459 10.448 1.00 0.00 C ATOM 1521 OD1 ASN A 92 22.782 -15.311 10.687 1.00 0.00 O ATOM 1522 ND2 ASN A 92 22.259 -17.376 11.396 1.00 0.00 N ATOM 0 H ASN A 92 21.669 -19.319 8.897 1.00 0.00 H new ATOM 0 HA ASN A 92 20.092 -17.178 9.768 1.00 0.00 H new ATOM 0 HB2 ASN A 92 22.816 -17.644 8.712 1.00 0.00 H new ATOM 0 HB3 ASN A 92 22.198 -16.043 8.358 1.00 0.00 H new ATOM 0 HD21 ASN A 92 22.457 -17.141 12.369 1.00 0.00 H new ATOM 0 HD22 ASN A 92 21.946 -18.316 11.152 1.00 0.00 H new ATOM 1529 N ALA A 93 20.256 -17.548 6.511 1.00 0.00 N ATOM 1530 CA ALA A 93 19.671 -17.115 5.248 1.00 0.00 C ATOM 1531 C ALA A 93 18.179 -17.425 5.199 1.00 0.00 C ATOM 1532 O ALA A 93 17.626 -18.014 6.129 1.00 0.00 O ATOM 1533 CB ALA A 93 20.388 -17.777 4.081 1.00 0.00 C ATOM 0 H ALA A 93 20.860 -18.366 6.437 1.00 0.00 H new ATOM 0 HA ALA A 93 19.793 -16.035 5.170 1.00 0.00 H new ATOM 0 HB1 ALA A 93 19.941 -17.445 3.144 1.00 0.00 H new ATOM 0 HB2 ALA A 93 21.442 -17.501 4.098 1.00 0.00 H new ATOM 0 HB3 ALA A 93 20.295 -18.860 4.164 1.00 0.00 H new ATOM 1539 N HIS A 94 17.531 -17.025 4.109 1.00 0.00 N ATOM 1540 CA HIS A 94 16.102 -17.261 3.940 1.00 0.00 C ATOM 1541 C HIS A 94 15.696 -17.108 2.477 1.00 0.00 C ATOM 1542 O HIS A 94 16.521 -16.780 1.625 1.00 0.00 O ATOM 1543 CB HIS A 94 15.298 -16.293 4.808 1.00 0.00 C ATOM 1544 CG HIS A 94 15.631 -14.853 4.566 1.00 0.00 C ATOM 1545 ND1 HIS A 94 15.559 -14.263 3.321 1.00 0.00 N ATOM 1546 CD2 HIS A 94 16.037 -13.882 5.418 1.00 0.00 C ATOM 1547 CE1 HIS A 94 15.909 -12.993 3.418 1.00 0.00 C ATOM 1548 NE2 HIS A 94 16.203 -12.736 4.680 1.00 0.00 N ATOM 0 H HIS A 94 17.973 -16.536 3.330 1.00 0.00 H new ATOM 0 HA HIS A 94 15.888 -18.283 4.254 1.00 0.00 H new ATOM 0 HB2 HIS A 94 14.235 -16.448 4.622 1.00 0.00 H new ATOM 0 HB3 HIS A 94 15.475 -16.527 5.858 1.00 0.00 H new ATOM 0 HD2 HIS A 94 16.200 -13.989 6.480 1.00 0.00 H new ATOM 0 HE1 HIS A 94 15.948 -12.285 2.604 1.00 0.00 H new ATOM 0 HE2 HIS A 94 16.504 -11.833 5.047 1.00 0.00 H new ATOM 1556 N GLY A 95 14.419 -17.348 2.194 1.00 0.00 N ATOM 1557 CA GLY A 95 13.927 -17.233 0.833 1.00 0.00 C ATOM 1558 C GLY A 95 14.012 -18.542 0.073 1.00 0.00 C ATOM 1559 O GLY A 95 13.084 -18.910 -0.646 1.00 0.00 O ATOM 0 H GLY A 95 13.717 -17.620 2.882 1.00 0.00 H new ATOM 0 HA2 GLY A 95 12.891 -16.894 0.852 1.00 0.00 H new ATOM 0 HA3 GLY A 95 14.502 -16.472 0.305 1.00 0.00 H new ATOM 1563 N TRP A 96 15.127 -19.245 0.232 1.00 0.00 N ATOM 1564 CA TRP A 96 15.330 -20.520 -0.447 1.00 0.00 C ATOM 1565 C TRP A 96 14.670 -21.658 0.323 1.00 0.00 C ATOM 1566 O TRP A 96 14.044 -22.537 -0.268 1.00 0.00 O ATOM 1567 CB TRP A 96 16.825 -20.800 -0.614 1.00 0.00 C ATOM 1568 CG TRP A 96 17.501 -21.194 0.664 1.00 0.00 C ATOM 1569 CD1 TRP A 96 18.117 -20.362 1.555 1.00 0.00 C ATOM 1570 CD2 TRP A 96 17.633 -22.518 1.191 1.00 0.00 C ATOM 1571 NE1 TRP A 96 18.623 -21.090 2.605 1.00 0.00 N ATOM 1572 CE2 TRP A 96 18.338 -22.415 2.406 1.00 0.00 C ATOM 1573 CE3 TRP A 96 17.221 -23.781 0.757 1.00 0.00 C ATOM 1574 CZ2 TRP A 96 18.641 -23.526 3.188 1.00 0.00 C ATOM 1575 CZ3 TRP A 96 17.523 -24.883 1.534 1.00 0.00 C ATOM 1576 CH2 TRP A 96 18.226 -24.751 2.738 1.00 0.00 C ATOM 0 H TRP A 96 15.904 -18.954 0.825 1.00 0.00 H new ATOM 0 HA TRP A 96 14.867 -20.457 -1.432 1.00 0.00 H new ATOM 0 HB2 TRP A 96 16.959 -21.595 -1.348 1.00 0.00 H new ATOM 0 HB3 TRP A 96 17.311 -19.911 -1.015 1.00 0.00 H new ATOM 0 HD1 TRP A 96 18.195 -19.290 1.450 1.00 0.00 H new ATOM 0 HE1 TRP A 96 19.129 -20.706 3.403 1.00 0.00 H new ATOM 0 HE3 TRP A 96 16.676 -23.894 -0.169 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 19.184 -23.426 4.116 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 17.211 -25.864 1.207 1.00 0.00 H new ATOM 0 HH2 TRP A 96 18.445 -25.632 3.323 1.00 0.00 H new ATOM 1587 N GLN A 97 14.813 -21.633 1.644 1.00 0.00 N ATOM 1588 CA GLN A 97 14.230 -22.665 2.494 1.00 0.00 C ATOM 1589 C GLN A 97 12.741 -22.830 2.206 1.00 0.00 C ATOM 1590 O GLN A 97 12.087 -21.905 1.726 1.00 0.00 O ATOM 1591 CB GLN A 97 14.441 -22.319 3.969 1.00 0.00 C ATOM 1592 CG GLN A 97 15.445 -23.221 4.668 1.00 0.00 C ATOM 1593 CD GLN A 97 15.877 -22.678 6.016 1.00 0.00 C ATOM 1594 OE1 GLN A 97 15.685 -23.322 7.048 1.00 0.00 O ATOM 1595 NE2 GLN A 97 16.465 -21.488 6.015 1.00 0.00 N ATOM 0 H GLN A 97 15.327 -20.911 2.149 1.00 0.00 H new ATOM 0 HA GLN A 97 14.731 -23.608 2.274 1.00 0.00 H new ATOM 0 HB2 GLN A 97 14.778 -21.285 4.046 1.00 0.00 H new ATOM 0 HB3 GLN A 97 13.485 -22.382 4.489 1.00 0.00 H new ATOM 0 HG2 GLN A 97 15.007 -24.210 4.802 1.00 0.00 H new ATOM 0 HG3 GLN A 97 16.322 -23.344 4.032 1.00 0.00 H new ATOM 0 HE21 GLN A 97 16.604 -20.989 5.137 1.00 0.00 H new ATOM 0 HE22 GLN A 97 16.778 -21.073 6.893 1.00 0.00 H new