USER MOD reduce.3.24.130724 H: found=0, std=0, add=831, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 833 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 35 LYS NZ :NH3+ -132:sc= 0.58 (180deg=-0.151) USER MOD Set 1.2: A 80 CYS SG : rot -57:sc= 0.517 USER MOD Single : A 34 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0212) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 121:sc= 0.208 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 HIS : no HD1:sc= -0.0312 X(o=-0.031,f=-0.46) USER MOD Single : A 46 SER OG : rot 170:sc= -0.568 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0.00053) USER MOD Single : A 67 TYR OH : rot 30:sc= 0 USER MOD Single : A 75 THR OG1 : rot -140:sc= -0.242 USER MOD Single : B 31 SER OG : rot -132:sc= -0.0223! USER MOD Single : B 35 SER OG : rot 180:sc= 0 USER MOD Single : B 38 LYS NZ :NH3+ -145:sc= 0.664! (180deg=-0.899) USER MOD Single : B 40 THR OG1 : rot 180:sc= 0 USER MOD Single : B 41 LYS NZ :NH3+ -168:sc= -0.0136 (180deg=-0.159) USER MOD Single : B 43 LYS NZ :NH3+ -159:sc= 2.16 (180deg=1.35) USER MOD Single : B 49 THR OG1 : rot 180:sc= 0 USER MOD Single : B 54 SER OG : rot 180:sc= 0 USER MOD Single : B 57 TYR OH : rot 98:sc= 1.28 USER MOD Single : B 60 MET CE :methyl 177:sc= 0 (180deg=-0.0157) USER MOD Single : B 63 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0966) USER MOD Single : B 66 GLN : amide:sc= -0.0618 X(o=-0.062,f=-0.03) USER MOD Single : B 68 ASN : amide:sc= -4.26! K(o=-4.3!,f=-2.9) USER MOD Single : B 82 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 105 N LYS A 34 -6.640 -13.516 2.076 1.00 0.00 N ATOM 106 CA LYS A 34 -5.722 -12.497 2.564 1.00 0.00 C ATOM 107 C LYS A 34 -6.523 -11.364 3.192 1.00 0.00 C ATOM 108 O LYS A 34 -7.728 -11.252 2.959 1.00 0.00 O ATOM 109 CB LYS A 34 -4.856 -11.957 1.422 1.00 0.00 C ATOM 110 CG LYS A 34 -4.157 -13.037 0.612 1.00 0.00 C ATOM 111 CD LYS A 34 -3.104 -13.762 1.428 1.00 0.00 C ATOM 112 CE LYS A 34 -2.696 -15.069 0.767 1.00 0.00 C ATOM 113 NZ LYS A 34 -2.141 -14.865 -0.598 1.00 0.00 N1+ ATOM 0 HA LYS A 34 -5.062 -12.940 3.310 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -5.481 -11.364 0.755 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -4.105 -11.284 1.836 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -4.894 -13.754 0.251 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -3.691 -12.589 -0.266 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -2.229 -13.123 1.546 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -3.490 -13.962 2.428 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -1.953 -15.570 1.387 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -3.561 -15.730 0.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -1.800 -15.773 -0.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -2.883 -14.489 -1.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -1.351 -14.190 -0.554 1.00 0.00 H new ATOM 127 N LYS A 35 -5.862 -10.524 3.972 1.00 0.00 N ATOM 128 CA LYS A 35 -6.543 -9.442 4.671 1.00 0.00 C ATOM 129 C LYS A 35 -5.784 -8.126 4.529 1.00 0.00 C ATOM 130 O LYS A 35 -4.560 -8.074 4.663 1.00 0.00 O ATOM 131 CB LYS A 35 -6.745 -9.804 6.147 1.00 0.00 C ATOM 132 CG LYS A 35 -5.487 -10.302 6.843 1.00 0.00 C ATOM 133 CD LYS A 35 -5.794 -10.862 8.224 1.00 0.00 C ATOM 134 CE LYS A 35 -6.306 -9.791 9.174 1.00 0.00 C ATOM 135 NZ LYS A 35 -5.277 -8.753 9.445 1.00 0.00 N1+ ATOM 0 H LYS A 35 -4.857 -10.569 4.138 1.00 0.00 H new ATOM 0 HA LYS A 35 -7.522 -9.305 4.213 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -7.118 -8.928 6.677 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -7.515 -10.572 6.219 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -5.015 -11.073 6.234 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -4.772 -9.484 6.932 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -6.538 -11.654 8.137 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -4.894 -11.315 8.640 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -7.192 -9.321 8.748 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -6.611 -10.254 10.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -5.215 -8.584 10.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -4.355 -9.078 9.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -5.540 -7.869 8.964 1.00 0.00 H new ATOM 149 N PHE A 36 -6.525 -7.069 4.224 1.00 0.00 N ATOM 150 CA PHE A 36 -5.942 -5.751 3.986 1.00 0.00 C ATOM 151 C PHE A 36 -6.838 -4.675 4.595 1.00 0.00 C ATOM 152 O PHE A 36 -8.058 -4.748 4.466 1.00 0.00 O ATOM 153 CB PHE A 36 -5.804 -5.501 2.479 1.00 0.00 C ATOM 154 CG PHE A 36 -5.239 -6.667 1.713 1.00 0.00 C ATOM 155 CD1 PHE A 36 -6.062 -7.695 1.280 1.00 0.00 C ATOM 156 CD2 PHE A 36 -3.888 -6.741 1.438 1.00 0.00 C ATOM 157 CE1 PHE A 36 -5.544 -8.774 0.591 1.00 0.00 C ATOM 158 CE2 PHE A 36 -3.361 -7.814 0.746 1.00 0.00 C ATOM 159 CZ PHE A 36 -4.190 -8.833 0.323 1.00 0.00 C ATOM 0 H PHE A 36 -7.541 -7.098 4.135 1.00 0.00 H new ATOM 0 HA PHE A 36 -4.956 -5.713 4.449 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -6.784 -5.253 2.071 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -5.164 -4.633 2.322 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -7.122 -7.652 1.484 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -3.234 -5.948 1.769 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -6.196 -9.570 0.262 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -2.302 -7.855 0.536 1.00 0.00 H new ATOM 0 HZ PHE A 36 -3.781 -9.675 -0.216 1.00 0.00 H new ATOM 169 N TRP A 37 -6.246 -3.690 5.259 1.00 0.00 N ATOM 170 CA TRP A 37 -7.024 -2.601 5.845 1.00 0.00 C ATOM 171 C TRP A 37 -6.935 -1.337 5.000 1.00 0.00 C ATOM 172 O TRP A 37 -5.893 -0.686 4.961 1.00 0.00 O ATOM 173 CB TRP A 37 -6.548 -2.274 7.260 1.00 0.00 C ATOM 174 CG TRP A 37 -6.974 -3.260 8.301 1.00 0.00 C ATOM 175 CD1 TRP A 37 -6.157 -4.020 9.074 1.00 0.00 C ATOM 176 CD2 TRP A 37 -8.315 -3.580 8.695 1.00 0.00 C ATOM 177 NE1 TRP A 37 -6.900 -4.800 9.926 1.00 0.00 N ATOM 178 CE2 TRP A 37 -8.228 -4.549 9.712 1.00 0.00 C ATOM 179 CE3 TRP A 37 -9.580 -3.146 8.288 1.00 0.00 C ATOM 180 CZ2 TRP A 37 -9.354 -5.088 10.327 1.00 0.00 C ATOM 181 CZ3 TRP A 37 -10.697 -3.681 8.900 1.00 0.00 C ATOM 182 CH2 TRP A 37 -10.577 -4.641 9.911 1.00 0.00 C ATOM 0 H TRP A 37 -5.239 -3.621 5.406 1.00 0.00 H new ATOM 0 HA TRP A 37 -8.058 -2.943 5.879 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -5.460 -2.213 7.259 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -6.922 -1.288 7.537 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -5.078 -4.012 9.026 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -6.523 -5.459 10.607 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -9.682 -2.405 7.509 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -9.265 -5.832 11.105 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -11.679 -3.353 8.593 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -11.470 -5.037 10.372 1.00 0.00 H new ATOM 193 N ALA A 38 -8.027 -0.993 4.337 1.00 0.00 N ATOM 194 CA ALA A 38 -8.114 0.257 3.595 1.00 0.00 C ATOM 195 C ALA A 38 -8.925 1.270 4.390 1.00 0.00 C ATOM 196 O ALA A 38 -10.121 1.085 4.605 1.00 0.00 O ATOM 197 CB ALA A 38 -8.749 0.027 2.229 1.00 0.00 C ATOM 0 H ALA A 38 -8.871 -1.565 4.297 1.00 0.00 H new ATOM 0 HA ALA A 38 -7.107 0.646 3.442 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -8.805 0.973 1.690 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -8.144 -0.679 1.661 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -9.753 -0.377 2.358 1.00 0.00 H new ATOM 203 N THR A 39 -8.274 2.323 4.849 1.00 0.00 N ATOM 204 CA THR A 39 -8.962 3.351 5.607 1.00 0.00 C ATOM 205 C THR A 39 -9.547 4.398 4.663 1.00 0.00 C ATOM 206 O THR A 39 -8.824 5.129 3.982 1.00 0.00 O ATOM 207 CB THR A 39 -8.044 4.001 6.677 1.00 0.00 C ATOM 208 OG1 THR A 39 -8.690 5.122 7.291 1.00 0.00 O ATOM 209 CG2 THR A 39 -6.717 4.442 6.089 1.00 0.00 C ATOM 0 H THR A 39 -7.277 2.488 4.711 1.00 0.00 H new ATOM 0 HA THR A 39 -9.780 2.876 6.149 1.00 0.00 H new ATOM 0 HB THR A 39 -7.849 3.239 7.431 1.00 0.00 H new ATOM 0 HG1 THR A 39 -8.094 5.515 7.963 1.00 0.00 H new ATOM 0 HG21 THR A 39 -6.104 4.892 6.870 1.00 0.00 H new ATOM 0 HG22 THR A 39 -6.198 3.578 5.673 1.00 0.00 H new ATOM 0 HG23 THR A 39 -6.894 5.174 5.300 1.00 0.00 H new ATOM 217 N VAL A 40 -10.869 4.425 4.602 1.00 0.00 N ATOM 218 CA VAL A 40 -11.592 5.324 3.720 1.00 0.00 C ATOM 219 C VAL A 40 -12.119 6.504 4.526 1.00 0.00 C ATOM 220 O VAL A 40 -12.452 6.355 5.704 1.00 0.00 O ATOM 221 CB VAL A 40 -12.775 4.605 3.033 1.00 0.00 C ATOM 222 CG1 VAL A 40 -13.238 5.368 1.803 1.00 0.00 C ATOM 223 CG2 VAL A 40 -12.409 3.173 2.674 1.00 0.00 C ATOM 0 H VAL A 40 -11.471 3.823 5.164 1.00 0.00 H new ATOM 0 HA VAL A 40 -10.906 5.670 2.947 1.00 0.00 H new ATOM 0 HB VAL A 40 -13.602 4.575 3.742 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -14.071 4.840 1.339 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -13.560 6.368 2.095 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -12.416 5.445 1.091 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -13.259 2.690 2.192 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -11.558 3.175 1.992 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -12.147 2.626 3.580 1.00 0.00 H new ATOM 233 N GLU A 41 -12.190 7.669 3.907 1.00 0.00 N ATOM 234 CA GLU A 41 -12.609 8.867 4.613 1.00 0.00 C ATOM 235 C GLU A 41 -13.298 9.836 3.662 1.00 0.00 C ATOM 236 O GLU A 41 -12.699 10.310 2.696 1.00 0.00 O ATOM 237 CB GLU A 41 -11.390 9.526 5.254 1.00 0.00 C ATOM 238 CG GLU A 41 -11.713 10.678 6.182 1.00 0.00 C ATOM 239 CD GLU A 41 -10.462 11.300 6.769 1.00 0.00 C ATOM 240 OE1 GLU A 41 -9.855 12.163 6.101 1.00 0.00 O ATOM 241 OE2 GLU A 41 -10.072 10.921 7.895 1.00 0.00 O1- ATOM 0 H GLU A 41 -11.964 7.811 2.922 1.00 0.00 H new ATOM 0 HA GLU A 41 -13.323 8.593 5.390 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -10.836 8.771 5.812 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -10.731 9.886 4.464 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -12.274 11.437 5.637 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -12.356 10.325 6.989 1.00 0.00 H new ATOM 248 N SER A 42 -14.566 10.106 3.920 1.00 0.00 N ATOM 249 CA SER A 42 -15.326 11.050 3.121 1.00 0.00 C ATOM 250 C SER A 42 -16.326 11.806 3.994 1.00 0.00 C ATOM 251 O SER A 42 -16.299 11.676 5.222 1.00 0.00 O ATOM 252 CB SER A 42 -16.034 10.324 1.973 1.00 0.00 C ATOM 253 OG SER A 42 -15.089 9.760 1.073 1.00 0.00 O ATOM 0 H SER A 42 -15.094 9.681 4.683 1.00 0.00 H new ATOM 0 HA SER A 42 -14.639 11.779 2.690 1.00 0.00 H new ATOM 0 HB2 SER A 42 -16.675 9.539 2.374 1.00 0.00 H new ATOM 0 HB3 SER A 42 -16.680 11.021 1.439 1.00 0.00 H new ATOM 0 HG SER A 42 -15.224 8.791 1.022 1.00 0.00 H new ATOM 259 N SER A 43 -17.194 12.591 3.371 1.00 0.00 N ATOM 260 CA SER A 43 -18.125 13.438 4.104 1.00 0.00 C ATOM 261 C SER A 43 -19.069 12.626 4.992 1.00 0.00 C ATOM 262 O SER A 43 -19.310 12.993 6.143 1.00 0.00 O ATOM 263 CB SER A 43 -18.928 14.293 3.126 1.00 0.00 C ATOM 264 OG SER A 43 -18.066 15.065 2.304 1.00 0.00 O ATOM 0 H SER A 43 -17.273 12.659 2.356 1.00 0.00 H new ATOM 0 HA SER A 43 -17.538 14.081 4.760 1.00 0.00 H new ATOM 0 HB2 SER A 43 -19.553 13.652 2.504 1.00 0.00 H new ATOM 0 HB3 SER A 43 -19.598 14.952 3.678 1.00 0.00 H new ATOM 0 HG SER A 43 -18.601 15.604 1.684 1.00 0.00 H new ATOM 270 N GLU A 44 -19.580 11.515 4.473 1.00 0.00 N ATOM 271 CA GLU A 44 -20.566 10.731 5.206 1.00 0.00 C ATOM 272 C GLU A 44 -19.912 9.895 6.302 1.00 0.00 C ATOM 273 O GLU A 44 -20.205 10.076 7.484 1.00 0.00 O ATOM 274 CB GLU A 44 -21.351 9.824 4.260 1.00 0.00 C ATOM 275 CG GLU A 44 -22.488 9.084 4.943 1.00 0.00 C ATOM 276 CD GLU A 44 -23.209 8.135 4.015 1.00 0.00 C ATOM 277 OE1 GLU A 44 -23.916 8.613 3.102 1.00 0.00 O1- ATOM 278 OE2 GLU A 44 -23.073 6.906 4.189 1.00 0.00 O ATOM 0 H GLU A 44 -19.331 11.140 3.558 1.00 0.00 H new ATOM 0 HA GLU A 44 -21.254 11.434 5.676 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -21.755 10.424 3.445 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -20.670 9.099 3.815 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -22.094 8.526 5.792 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -23.200 9.808 5.340 1.00 0.00 H new ATOM 285 N HIS A 45 -19.031 8.978 5.919 1.00 0.00 N ATOM 286 CA HIS A 45 -18.401 8.094 6.891 1.00 0.00 C ATOM 287 C HIS A 45 -16.896 8.004 6.692 1.00 0.00 C ATOM 288 O HIS A 45 -16.382 8.192 5.586 1.00 0.00 O ATOM 289 CB HIS A 45 -19.008 6.691 6.824 1.00 0.00 C ATOM 290 CG HIS A 45 -20.384 6.593 7.406 1.00 0.00 C ATOM 291 ND1 HIS A 45 -21.466 6.108 6.705 1.00 0.00 N ATOM 292 CD2 HIS A 45 -20.847 6.904 8.639 1.00 0.00 C ATOM 293 CE1 HIS A 45 -22.532 6.124 7.480 1.00 0.00 C ATOM 294 NE2 HIS A 45 -22.184 6.602 8.658 1.00 0.00 N ATOM 0 H HIS A 45 -18.739 8.828 4.953 1.00 0.00 H new ATOM 0 HA HIS A 45 -18.589 8.526 7.874 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -19.042 6.370 5.783 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -18.352 5.997 7.350 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -20.271 7.314 9.455 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -23.523 5.800 7.198 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -22.808 6.727 9.455 1.00 0.00 H new ATOM 303 N SER A 46 -16.200 7.729 7.785 1.00 0.00 N ATOM 304 CA SER A 46 -14.775 7.460 7.756 1.00 0.00 C ATOM 305 C SER A 46 -14.514 6.173 8.538 1.00 0.00 C ATOM 306 O SER A 46 -14.917 6.060 9.699 1.00 0.00 O ATOM 307 CB SER A 46 -14.015 8.632 8.376 1.00 0.00 C ATOM 308 OG SER A 46 -14.461 9.865 7.830 1.00 0.00 O ATOM 0 H SER A 46 -16.611 7.687 8.718 1.00 0.00 H new ATOM 0 HA SER A 46 -14.431 7.339 6.729 1.00 0.00 H new ATOM 0 HB2 SER A 46 -14.158 8.634 9.457 1.00 0.00 H new ATOM 0 HB3 SER A 46 -12.946 8.515 8.197 1.00 0.00 H new ATOM 0 HG SER A 46 -14.084 10.607 8.347 1.00 0.00 H new ATOM 314 N PHE A 47 -13.852 5.210 7.914 1.00 0.00 N ATOM 315 CA PHE A 47 -13.699 3.886 8.512 1.00 0.00 C ATOM 316 C PHE A 47 -12.535 3.124 7.895 1.00 0.00 C ATOM 317 O PHE A 47 -12.014 3.507 6.849 1.00 0.00 O ATOM 318 CB PHE A 47 -14.992 3.078 8.327 1.00 0.00 C ATOM 319 CG PHE A 47 -15.519 3.077 6.912 1.00 0.00 C ATOM 320 CD1 PHE A 47 -14.899 2.337 5.912 1.00 0.00 C ATOM 321 CD2 PHE A 47 -16.644 3.816 6.585 1.00 0.00 C ATOM 322 CE1 PHE A 47 -15.390 2.340 4.621 1.00 0.00 C ATOM 323 CE2 PHE A 47 -17.139 3.822 5.295 1.00 0.00 C ATOM 324 CZ PHE A 47 -16.510 3.084 4.312 1.00 0.00 C ATOM 0 H PHE A 47 -13.413 5.316 6.999 1.00 0.00 H new ATOM 0 HA PHE A 47 -13.493 4.023 9.574 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -14.813 2.049 8.638 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -15.758 3.482 8.989 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -14.022 1.752 6.147 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -17.141 4.395 7.349 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -14.898 1.760 3.854 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -18.017 4.403 5.056 1.00 0.00 H new ATOM 0 HZ PHE A 47 -16.894 3.089 3.303 1.00 0.00 H new ATOM 334 N GLU A 48 -12.136 2.046 8.550 1.00 0.00 N ATOM 335 CA GLU A 48 -11.148 1.139 7.995 1.00 0.00 C ATOM 336 C GLU A 48 -11.859 -0.129 7.533 1.00 0.00 C ATOM 337 O GLU A 48 -12.480 -0.831 8.334 1.00 0.00 O ATOM 338 CB GLU A 48 -10.073 0.817 9.039 1.00 0.00 C ATOM 339 CG GLU A 48 -8.762 0.344 8.449 1.00 0.00 C ATOM 340 CD GLU A 48 -7.696 0.152 9.507 1.00 0.00 C ATOM 341 OE1 GLU A 48 -7.982 -0.498 10.537 1.00 0.00 O ATOM 342 OE2 GLU A 48 -6.563 0.643 9.312 1.00 0.00 O1- ATOM 0 H GLU A 48 -12.484 1.778 9.471 1.00 0.00 H new ATOM 0 HA GLU A 48 -10.650 1.605 7.145 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -9.888 1.707 9.641 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -10.454 0.049 9.713 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -8.921 -0.596 7.921 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -8.414 1.068 7.712 1.00 0.00 H new ATOM 349 N VAL A 49 -11.789 -0.403 6.243 1.00 0.00 N ATOM 350 CA VAL A 49 -12.521 -1.517 5.661 1.00 0.00 C ATOM 351 C VAL A 49 -11.554 -2.570 5.116 1.00 0.00 C ATOM 352 O VAL A 49 -10.527 -2.233 4.524 1.00 0.00 O ATOM 353 CB VAL A 49 -13.470 -1.022 4.537 1.00 0.00 C ATOM 354 CG1 VAL A 49 -12.689 -0.406 3.387 1.00 0.00 C ATOM 355 CG2 VAL A 49 -14.366 -2.147 4.039 1.00 0.00 C ATOM 0 H VAL A 49 -11.232 0.131 5.576 1.00 0.00 H new ATOM 0 HA VAL A 49 -13.125 -1.974 6.445 1.00 0.00 H new ATOM 0 HB VAL A 49 -14.107 -0.247 4.964 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -13.382 -0.069 2.616 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -12.112 0.443 3.753 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -12.012 -1.150 2.967 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -15.020 -1.770 3.252 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -13.750 -2.955 3.643 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -14.971 -2.523 4.864 1.00 0.00 H new ATOM 365 N PRO A 50 -11.844 -3.862 5.351 1.00 0.00 N ATOM 366 CA PRO A 50 -11.048 -4.953 4.794 1.00 0.00 C ATOM 367 C PRO A 50 -11.208 -5.051 3.283 1.00 0.00 C ATOM 368 O PRO A 50 -12.290 -4.816 2.746 1.00 0.00 O ATOM 369 CB PRO A 50 -11.610 -6.215 5.465 1.00 0.00 C ATOM 370 CG PRO A 50 -12.467 -5.730 6.584 1.00 0.00 C ATOM 371 CD PRO A 50 -12.947 -4.365 6.183 1.00 0.00 C ATOM 0 HA PRO A 50 -9.983 -4.807 4.977 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -12.189 -6.809 4.758 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -10.807 -6.852 5.835 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -13.307 -6.404 6.751 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -11.903 -5.686 7.516 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -13.883 -4.413 5.627 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -13.123 -3.728 7.050 1.00 0.00 H new ATOM 379 N ILE A 51 -10.129 -5.403 2.605 1.00 0.00 N ATOM 380 CA ILE A 51 -10.167 -5.601 1.168 1.00 0.00 C ATOM 381 C ILE A 51 -10.138 -7.086 0.870 1.00 0.00 C ATOM 382 O ILE A 51 -9.296 -7.815 1.393 1.00 0.00 O ATOM 383 CB ILE A 51 -8.975 -4.928 0.453 1.00 0.00 C ATOM 384 CG1 ILE A 51 -8.889 -3.447 0.827 1.00 0.00 C ATOM 385 CG2 ILE A 51 -9.096 -5.088 -1.057 1.00 0.00 C ATOM 386 CD1 ILE A 51 -10.098 -2.642 0.403 1.00 0.00 C ATOM 0 H ILE A 51 -9.214 -5.558 3.029 1.00 0.00 H new ATOM 0 HA ILE A 51 -11.084 -5.143 0.797 1.00 0.00 H new ATOM 0 HB ILE A 51 -8.059 -5.420 0.780 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -8.766 -3.360 1.907 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -7.998 -3.017 0.369 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -8.247 -4.607 -1.543 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -9.107 -6.148 -1.311 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -10.021 -4.623 -1.399 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -9.966 -1.602 0.702 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -10.210 -2.697 -0.680 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -10.990 -3.046 0.881 1.00 0.00 H new ATOM 398 N TYR A 52 -11.065 -7.534 0.048 1.00 0.00 N ATOM 399 CA TYR A 52 -11.161 -8.943 -0.267 1.00 0.00 C ATOM 400 C TYR A 52 -10.576 -9.204 -1.643 1.00 0.00 C ATOM 401 O TYR A 52 -11.150 -8.787 -2.653 1.00 0.00 O ATOM 402 CB TYR A 52 -12.622 -9.390 -0.229 1.00 0.00 C ATOM 403 CG TYR A 52 -13.256 -9.360 1.146 1.00 0.00 C ATOM 404 CD1 TYR A 52 -13.541 -8.158 1.784 1.00 0.00 C ATOM 405 CD2 TYR A 52 -13.588 -10.540 1.797 1.00 0.00 C ATOM 406 CE1 TYR A 52 -14.136 -8.134 3.029 1.00 0.00 C ATOM 407 CE2 TYR A 52 -14.181 -10.523 3.044 1.00 0.00 C ATOM 408 CZ TYR A 52 -14.452 -9.320 3.654 1.00 0.00 C ATOM 409 OH TYR A 52 -15.046 -9.301 4.894 1.00 0.00 O ATOM 0 H TYR A 52 -11.759 -6.945 -0.412 1.00 0.00 H new ATOM 0 HA TYR A 52 -10.599 -9.511 0.474 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -13.201 -8.751 -0.895 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -12.688 -10.404 -0.623 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -13.292 -7.227 1.297 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -13.379 -11.487 1.321 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -14.352 -7.192 3.510 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -14.431 -11.450 3.538 1.00 0.00 H new ATOM 0 HH TYR A 52 -15.204 -10.220 5.195 1.00 0.00 H new ATOM 419 N ALA A 53 -9.442 -9.891 -1.685 1.00 0.00 N ATOM 420 CA ALA A 53 -8.784 -10.184 -2.948 1.00 0.00 C ATOM 421 C ALA A 53 -7.920 -11.437 -2.863 1.00 0.00 C ATOM 422 O ALA A 53 -7.828 -12.073 -1.810 1.00 0.00 O ATOM 423 CB ALA A 53 -7.942 -9.001 -3.395 1.00 0.00 C ATOM 0 H ALA A 53 -8.961 -10.254 -0.862 1.00 0.00 H new ATOM 0 HA ALA A 53 -9.566 -10.369 -3.685 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -7.456 -9.237 -4.342 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -8.581 -8.127 -3.523 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -7.184 -8.789 -2.641 1.00 0.00 H new ATOM 429 N GLU A 54 -7.283 -11.776 -3.974 1.00 0.00 N ATOM 430 CA GLU A 54 -6.404 -12.935 -4.035 1.00 0.00 C ATOM 431 C GLU A 54 -5.028 -12.608 -3.463 1.00 0.00 C ATOM 432 O GLU A 54 -4.548 -13.273 -2.542 1.00 0.00 O ATOM 433 CB GLU A 54 -6.235 -13.389 -5.484 1.00 0.00 C ATOM 434 CG GLU A 54 -7.541 -13.633 -6.212 1.00 0.00 C ATOM 435 CD GLU A 54 -7.330 -13.907 -7.685 1.00 0.00 C ATOM 436 OE1 GLU A 54 -6.942 -12.975 -8.420 1.00 0.00 O ATOM 437 OE2 GLU A 54 -7.550 -15.058 -8.114 1.00 0.00 O1- ATOM 0 H GLU A 54 -7.359 -11.261 -4.851 1.00 0.00 H new ATOM 0 HA GLU A 54 -6.859 -13.729 -3.443 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -5.665 -12.634 -6.026 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -5.646 -14.306 -5.500 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -8.057 -14.479 -5.757 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -8.189 -12.764 -6.095 1.00 0.00 H new ATOM 444 N THR A 55 -4.409 -11.573 -4.015 1.00 0.00 N ATOM 445 CA THR A 55 -3.022 -11.252 -3.715 1.00 0.00 C ATOM 446 C THR A 55 -2.865 -9.807 -3.253 1.00 0.00 C ATOM 447 O THR A 55 -3.838 -9.046 -3.249 1.00 0.00 O ATOM 448 CB THR A 55 -2.149 -11.463 -4.968 1.00 0.00 C ATOM 449 OG1 THR A 55 -2.708 -10.731 -6.071 1.00 0.00 O ATOM 450 CG2 THR A 55 -2.058 -12.938 -5.329 1.00 0.00 C ATOM 0 H THR A 55 -4.851 -10.937 -4.679 1.00 0.00 H new ATOM 0 HA THR A 55 -2.703 -11.915 -2.911 1.00 0.00 H new ATOM 0 HB THR A 55 -1.144 -11.100 -4.752 1.00 0.00 H new ATOM 0 HG1 THR A 55 -2.152 -10.864 -6.867 1.00 0.00 H new ATOM 0 HG21 THR A 55 -1.436 -13.058 -6.216 1.00 0.00 H new ATOM 0 HG22 THR A 55 -1.616 -13.489 -4.499 1.00 0.00 H new ATOM 0 HG23 THR A 55 -3.057 -13.326 -5.531 1.00 0.00 H new ATOM 458 N LEU A 56 -1.645 -9.430 -2.873 1.00 0.00 N ATOM 459 CA LEU A 56 -1.341 -8.041 -2.551 1.00 0.00 C ATOM 460 C LEU A 56 -1.616 -7.158 -3.757 1.00 0.00 C ATOM 461 O LEU A 56 -2.277 -6.130 -3.640 1.00 0.00 O ATOM 462 CB LEU A 56 0.122 -7.870 -2.125 1.00 0.00 C ATOM 463 CG LEU A 56 0.383 -7.871 -0.616 1.00 0.00 C ATOM 464 CD1 LEU A 56 0.122 -9.243 -0.015 1.00 0.00 C ATOM 465 CD2 LEU A 56 1.808 -7.417 -0.333 1.00 0.00 C ATOM 0 H LEU A 56 -0.854 -10.067 -2.781 1.00 0.00 H new ATOM 0 HA LEU A 56 -1.980 -7.747 -1.718 1.00 0.00 H new ATOM 0 HB2 LEU A 56 0.708 -8.671 -2.576 1.00 0.00 H new ATOM 0 HB3 LEU A 56 0.493 -6.932 -2.538 1.00 0.00 H new ATOM 0 HG LEU A 56 -0.307 -7.170 -0.147 1.00 0.00 H new ATOM 0 HD11 LEU A 56 0.316 -9.213 1.057 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.917 -9.525 -0.189 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.780 -9.976 -0.482 1.00 0.00 H new ATOM 0 HD21 LEU A 56 1.984 -7.421 0.743 1.00 0.00 H new ATOM 0 HD22 LEU A 56 2.509 -8.096 -0.818 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.952 -6.409 -0.721 1.00 0.00 H new ATOM 477 N ASP A 57 -1.109 -7.593 -4.910 1.00 0.00 N ATOM 478 CA ASP A 57 -1.286 -6.881 -6.178 1.00 0.00 C ATOM 479 C ASP A 57 -2.730 -6.456 -6.377 1.00 0.00 C ATOM 480 O ASP A 57 -3.030 -5.269 -6.524 1.00 0.00 O ATOM 481 CB ASP A 57 -0.877 -7.781 -7.347 1.00 0.00 C ATOM 482 CG ASP A 57 0.612 -8.039 -7.403 1.00 0.00 C ATOM 483 OD1 ASP A 57 1.131 -8.758 -6.526 1.00 0.00 O1- ATOM 484 OD2 ASP A 57 1.269 -7.524 -8.330 1.00 0.00 O ATOM 0 H ASP A 57 -0.563 -8.450 -4.993 1.00 0.00 H new ATOM 0 HA ASP A 57 -0.656 -5.992 -6.145 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -1.402 -8.733 -7.266 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -1.195 -7.320 -8.282 1.00 0.00 H new ATOM 489 N GLU A 58 -3.618 -7.438 -6.360 1.00 0.00 N ATOM 490 CA GLU A 58 -5.025 -7.201 -6.623 1.00 0.00 C ATOM 491 C GLU A 58 -5.632 -6.289 -5.566 1.00 0.00 C ATOM 492 O GLU A 58 -6.256 -5.285 -5.892 1.00 0.00 O ATOM 493 CB GLU A 58 -5.778 -8.528 -6.662 1.00 0.00 C ATOM 494 CG GLU A 58 -7.105 -8.441 -7.390 1.00 0.00 C ATOM 495 CD GLU A 58 -6.931 -8.166 -8.867 1.00 0.00 C ATOM 496 OE1 GLU A 58 -6.745 -9.136 -9.634 1.00 0.00 O ATOM 497 OE2 GLU A 58 -6.963 -6.986 -9.272 1.00 0.00 O1- ATOM 0 H GLU A 58 -3.385 -8.412 -6.165 1.00 0.00 H new ATOM 0 HA GLU A 58 -5.113 -6.707 -7.591 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -5.154 -9.278 -7.147 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -5.952 -8.869 -5.642 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -7.651 -9.375 -7.258 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -7.711 -7.652 -6.944 1.00 0.00 H new ATOM 504 N ALA A 59 -5.423 -6.631 -4.299 1.00 0.00 N ATOM 505 CA ALA A 59 -6.010 -5.883 -3.192 1.00 0.00 C ATOM 506 C ALA A 59 -5.540 -4.438 -3.178 1.00 0.00 C ATOM 507 O ALA A 59 -6.316 -3.524 -2.900 1.00 0.00 O ATOM 508 CB ALA A 59 -5.663 -6.543 -1.877 1.00 0.00 C ATOM 0 H ALA A 59 -4.849 -7.424 -4.012 1.00 0.00 H new ATOM 0 HA ALA A 59 -7.091 -5.885 -3.330 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -6.106 -5.977 -1.058 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -6.053 -7.561 -1.867 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -4.580 -6.568 -1.757 1.00 0.00 H new ATOM 514 N LEU A 60 -4.265 -4.246 -3.473 1.00 0.00 N ATOM 515 CA LEU A 60 -3.669 -2.922 -3.524 1.00 0.00 C ATOM 516 C LEU A 60 -4.380 -2.049 -4.545 1.00 0.00 C ATOM 517 O LEU A 60 -4.699 -0.887 -4.280 1.00 0.00 O ATOM 518 CB LEU A 60 -2.194 -3.045 -3.889 1.00 0.00 C ATOM 519 CG LEU A 60 -1.493 -1.738 -4.235 1.00 0.00 C ATOM 520 CD1 LEU A 60 -1.356 -0.856 -3.008 1.00 0.00 C ATOM 521 CD2 LEU A 60 -0.141 -2.030 -4.850 1.00 0.00 C ATOM 0 H LEU A 60 -3.615 -5.003 -3.684 1.00 0.00 H new ATOM 0 HA LEU A 60 -3.769 -2.455 -2.544 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -1.669 -3.509 -3.054 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -2.103 -3.722 -4.739 1.00 0.00 H new ATOM 0 HG LEU A 60 -2.097 -1.195 -4.962 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -0.852 0.071 -3.281 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -2.345 -0.628 -2.611 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -0.772 -1.376 -2.249 1.00 0.00 H new ATOM 0 HD21 LEU A 60 0.357 -1.092 -5.096 1.00 0.00 H new ATOM 0 HD22 LEU A 60 0.468 -2.589 -4.140 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.274 -2.619 -5.757 1.00 0.00 H new ATOM 533 N GLU A 61 -4.624 -2.614 -5.714 1.00 0.00 N ATOM 534 CA GLU A 61 -5.284 -1.890 -6.778 1.00 0.00 C ATOM 535 C GLU A 61 -6.778 -1.770 -6.498 1.00 0.00 C ATOM 536 O GLU A 61 -7.389 -0.751 -6.805 1.00 0.00 O ATOM 537 CB GLU A 61 -5.034 -2.579 -8.118 1.00 0.00 C ATOM 538 CG GLU A 61 -3.559 -2.674 -8.479 1.00 0.00 C ATOM 539 CD GLU A 61 -3.325 -3.354 -9.811 1.00 0.00 C ATOM 540 OE1 GLU A 61 -4.080 -4.285 -10.150 1.00 0.00 O ATOM 541 OE2 GLU A 61 -2.379 -2.960 -10.527 1.00 0.00 O1- ATOM 0 H GLU A 61 -4.373 -3.575 -5.948 1.00 0.00 H new ATOM 0 HA GLU A 61 -4.869 -0.883 -6.826 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -5.459 -3.582 -8.088 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -5.559 -2.034 -8.903 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -3.131 -1.672 -8.507 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -3.033 -3.223 -7.698 1.00 0.00 H new ATOM 548 N LEU A 62 -7.354 -2.804 -5.893 1.00 0.00 N ATOM 549 CA LEU A 62 -8.774 -2.805 -5.561 1.00 0.00 C ATOM 550 C LEU A 62 -9.102 -1.764 -4.500 1.00 0.00 C ATOM 551 O LEU A 62 -10.071 -1.033 -4.645 1.00 0.00 O ATOM 552 CB LEU A 62 -9.233 -4.186 -5.083 1.00 0.00 C ATOM 553 CG LEU A 62 -9.308 -5.267 -6.163 1.00 0.00 C ATOM 554 CD1 LEU A 62 -9.786 -6.580 -5.567 1.00 0.00 C ATOM 555 CD2 LEU A 62 -10.230 -4.835 -7.292 1.00 0.00 C ATOM 0 H LEU A 62 -6.858 -3.653 -5.622 1.00 0.00 H new ATOM 0 HA LEU A 62 -9.311 -2.551 -6.475 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -8.553 -4.525 -4.301 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -10.218 -4.084 -4.627 1.00 0.00 H new ATOM 0 HG LEU A 62 -8.308 -5.412 -6.571 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -9.834 -7.338 -6.349 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -9.091 -6.902 -4.791 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -10.776 -6.443 -5.133 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -10.269 -5.618 -8.049 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -11.231 -4.661 -6.898 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -9.851 -3.916 -7.739 1.00 0.00 H new ATOM 567 N ALA A 63 -8.297 -1.685 -3.443 1.00 0.00 N ATOM 568 CA ALA A 63 -8.545 -0.724 -2.365 1.00 0.00 C ATOM 569 C ALA A 63 -8.847 0.661 -2.929 1.00 0.00 C ATOM 570 O ALA A 63 -9.740 1.360 -2.458 1.00 0.00 O ATOM 571 CB ALA A 63 -7.354 -0.662 -1.423 1.00 0.00 C ATOM 0 H ALA A 63 -7.472 -2.270 -3.308 1.00 0.00 H new ATOM 0 HA ALA A 63 -9.417 -1.062 -1.804 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -7.555 0.057 -0.629 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -7.183 -1.646 -0.987 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -6.468 -0.352 -1.977 1.00 0.00 H new ATOM 577 N GLU A 64 -8.092 1.038 -3.945 1.00 0.00 N ATOM 578 CA GLU A 64 -8.324 2.279 -4.662 1.00 0.00 C ATOM 579 C GLU A 64 -9.431 2.118 -5.708 1.00 0.00 C ATOM 580 O GLU A 64 -10.523 2.665 -5.561 1.00 0.00 O ATOM 581 CB GLU A 64 -7.020 2.723 -5.331 1.00 0.00 C ATOM 582 CG GLU A 64 -7.140 3.982 -6.170 1.00 0.00 C ATOM 583 CD GLU A 64 -5.857 4.298 -6.908 1.00 0.00 C ATOM 584 OE1 GLU A 64 -4.915 4.815 -6.279 1.00 0.00 O1- ATOM 585 OE2 GLU A 64 -5.772 3.993 -8.118 1.00 0.00 O ATOM 0 H GLU A 64 -7.303 0.495 -4.296 1.00 0.00 H new ATOM 0 HA GLU A 64 -8.651 3.039 -3.952 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -6.268 2.886 -4.559 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -6.657 1.913 -5.964 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -7.951 3.863 -6.888 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -7.404 4.822 -5.527 1.00 0.00 H new ATOM 592 N TRP A 65 -9.153 1.319 -6.733 1.00 0.00 N ATOM 593 CA TRP A 65 -9.971 1.285 -7.945 1.00 0.00 C ATOM 594 C TRP A 65 -11.361 0.695 -7.710 1.00 0.00 C ATOM 595 O TRP A 65 -12.263 0.898 -8.513 1.00 0.00 O ATOM 596 CB TRP A 65 -9.257 0.490 -9.033 1.00 0.00 C ATOM 597 CG TRP A 65 -9.283 1.179 -10.360 1.00 0.00 C ATOM 598 CD1 TRP A 65 -8.379 2.090 -10.816 1.00 0.00 C ATOM 599 CD2 TRP A 65 -10.261 1.027 -11.394 1.00 0.00 C ATOM 600 NE1 TRP A 65 -8.729 2.514 -12.074 1.00 0.00 N ATOM 601 CE2 TRP A 65 -9.882 1.875 -12.452 1.00 0.00 C ATOM 602 CE3 TRP A 65 -11.419 0.254 -11.531 1.00 0.00 C ATOM 603 CZ2 TRP A 65 -10.620 1.971 -13.627 1.00 0.00 C ATOM 604 CZ3 TRP A 65 -12.150 0.351 -12.700 1.00 0.00 C ATOM 605 CH2 TRP A 65 -11.748 1.205 -13.735 1.00 0.00 C ATOM 0 H TRP A 65 -8.359 0.679 -6.750 1.00 0.00 H new ATOM 0 HA TRP A 65 -10.109 2.319 -8.260 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -8.222 0.322 -8.735 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -9.724 -0.490 -9.128 1.00 0.00 H new ATOM 0 HD1 TRP A 65 -7.513 2.430 -10.268 1.00 0.00 H new ATOM 0 HE1 TRP A 65 -8.215 3.193 -12.636 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -11.736 -0.407 -10.738 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 -10.313 2.628 -14.427 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -13.046 -0.241 -12.817 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -12.341 1.260 -14.636 1.00 0.00 H new ATOM 616 N GLN A 66 -11.527 -0.053 -6.637 1.00 0.00 N ATOM 617 CA GLN A 66 -12.816 -0.651 -6.315 1.00 0.00 C ATOM 618 C GLN A 66 -13.695 0.339 -5.547 1.00 0.00 C ATOM 619 O GLN A 66 -14.922 0.311 -5.651 1.00 0.00 O ATOM 620 CB GLN A 66 -12.600 -1.937 -5.511 1.00 0.00 C ATOM 621 CG GLN A 66 -13.866 -2.658 -5.104 1.00 0.00 C ATOM 622 CD GLN A 66 -13.566 -3.949 -4.372 1.00 0.00 C ATOM 623 OE1 GLN A 66 -13.469 -3.975 -3.149 1.00 0.00 O ATOM 624 NE2 GLN A 66 -13.394 -5.026 -5.123 1.00 0.00 N ATOM 0 H GLN A 66 -10.786 -0.264 -5.969 1.00 0.00 H new ATOM 0 HA GLN A 66 -13.335 -0.901 -7.241 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -11.986 -2.618 -6.101 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -12.033 -1.695 -4.612 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -14.465 -2.009 -4.466 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -14.463 -2.873 -5.990 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -13.484 -4.960 -6.137 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -13.172 -5.921 -4.688 1.00 0.00 H new ATOM 633 N TYR A 67 -13.056 1.222 -4.789 1.00 0.00 N ATOM 634 CA TYR A 67 -13.775 2.151 -3.922 1.00 0.00 C ATOM 635 C TYR A 67 -13.983 3.522 -4.564 1.00 0.00 C ATOM 636 O TYR A 67 -15.012 4.167 -4.342 1.00 0.00 O ATOM 637 CB TYR A 67 -13.052 2.285 -2.580 1.00 0.00 C ATOM 638 CG TYR A 67 -13.320 1.111 -1.670 1.00 0.00 C ATOM 639 CD1 TYR A 67 -12.549 -0.042 -1.735 1.00 0.00 C ATOM 640 CD2 TYR A 67 -14.370 1.147 -0.762 1.00 0.00 C ATOM 641 CE1 TYR A 67 -12.814 -1.121 -0.917 1.00 0.00 C ATOM 642 CE2 TYR A 67 -14.645 0.069 0.053 1.00 0.00 C ATOM 643 CZ TYR A 67 -13.864 -1.061 -0.027 1.00 0.00 C ATOM 644 OH TYR A 67 -14.143 -2.143 0.774 1.00 0.00 O ATOM 0 H TYR A 67 -12.041 1.315 -4.756 1.00 0.00 H new ATOM 0 HA TYR A 67 -14.768 1.733 -3.758 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -11.979 2.371 -2.754 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -13.370 3.204 -2.088 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -11.730 -0.095 -2.436 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -14.982 2.034 -0.693 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -12.201 -2.008 -0.974 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -15.469 0.112 0.750 1.00 0.00 H new ATOM 0 HH TYR A 67 -13.316 -2.635 0.959 1.00 0.00 H new ATOM 654 N VAL A 68 -13.029 3.961 -5.374 1.00 0.00 N ATOM 655 CA VAL A 68 -13.101 5.294 -5.966 1.00 0.00 C ATOM 656 C VAL A 68 -14.292 5.490 -6.936 1.00 0.00 C ATOM 657 O VAL A 68 -14.849 6.587 -6.975 1.00 0.00 O ATOM 658 CB VAL A 68 -11.773 5.718 -6.647 1.00 0.00 C ATOM 659 CG1 VAL A 68 -10.651 5.790 -5.618 1.00 0.00 C ATOM 660 CG2 VAL A 68 -11.392 4.783 -7.785 1.00 0.00 C ATOM 0 H VAL A 68 -12.204 3.422 -5.635 1.00 0.00 H new ATOM 0 HA VAL A 68 -13.276 5.954 -5.117 1.00 0.00 H new ATOM 0 HB VAL A 68 -11.927 6.707 -7.078 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -9.725 6.089 -6.110 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -10.907 6.521 -4.851 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -10.517 4.812 -5.156 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -10.456 5.118 -8.233 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -11.268 3.771 -7.399 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -12.178 4.789 -8.540 1.00 0.00 H new ATOM 670 N PRO A 69 -14.747 4.467 -7.717 1.00 0.00 N ATOM 671 CA PRO A 69 -15.889 4.637 -8.621 1.00 0.00 C ATOM 672 C PRO A 69 -17.218 4.588 -7.875 1.00 0.00 C ATOM 673 O PRO A 69 -18.289 4.709 -8.474 1.00 0.00 O ATOM 674 CB PRO A 69 -15.786 3.452 -9.594 1.00 0.00 C ATOM 675 CG PRO A 69 -14.514 2.753 -9.251 1.00 0.00 C ATOM 676 CD PRO A 69 -14.222 3.099 -7.821 1.00 0.00 C ATOM 0 HA PRO A 69 -15.862 5.606 -9.119 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -16.640 2.783 -9.488 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -15.777 3.795 -10.628 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -14.615 1.675 -9.378 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -13.703 3.077 -9.904 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -14.718 2.419 -7.129 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -13.155 3.055 -7.601 1.00 0.00 H new ATOM 684 N ALA A 70 -17.140 4.394 -6.565 1.00 0.00 N ATOM 685 CA ALA A 70 -18.323 4.379 -5.720 1.00 0.00 C ATOM 686 C ALA A 70 -18.423 5.682 -4.934 1.00 0.00 C ATOM 687 O ALA A 70 -19.258 5.825 -4.043 1.00 0.00 O ATOM 688 CB ALA A 70 -18.285 3.181 -4.783 1.00 0.00 C ATOM 0 H ALA A 70 -16.264 4.244 -6.064 1.00 0.00 H new ATOM 0 HA ALA A 70 -19.208 4.290 -6.350 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -19.176 3.181 -4.156 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -18.254 2.262 -5.368 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -17.398 3.240 -4.153 1.00 0.00 H new ATOM 694 N GLY A 71 -17.554 6.628 -5.271 1.00 0.00 N ATOM 695 CA GLY A 71 -17.581 7.928 -4.631 1.00 0.00 C ATOM 696 C GLY A 71 -16.906 7.924 -3.275 1.00 0.00 C ATOM 697 O GLY A 71 -17.245 8.725 -2.404 1.00 0.00 O ATOM 0 H GLY A 71 -16.829 6.516 -5.979 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -17.089 8.656 -5.276 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -18.616 8.251 -4.517 1.00 0.00 H new ATOM 701 N PHE A 72 -15.962 7.014 -3.088 1.00 0.00 N ATOM 702 CA PHE A 72 -15.212 6.941 -1.844 1.00 0.00 C ATOM 703 C PHE A 72 -13.793 7.446 -2.041 1.00 0.00 C ATOM 704 O PHE A 72 -13.105 7.048 -2.984 1.00 0.00 O ATOM 705 CB PHE A 72 -15.172 5.507 -1.309 1.00 0.00 C ATOM 706 CG PHE A 72 -16.462 5.036 -0.702 1.00 0.00 C ATOM 707 CD1 PHE A 72 -17.423 4.416 -1.479 1.00 0.00 C ATOM 708 CD2 PHE A 72 -16.708 5.203 0.652 1.00 0.00 C ATOM 709 CE1 PHE A 72 -18.606 3.974 -0.922 1.00 0.00 C ATOM 710 CE2 PHE A 72 -17.888 4.762 1.216 1.00 0.00 C ATOM 711 CZ PHE A 72 -18.840 4.147 0.428 1.00 0.00 C ATOM 0 H PHE A 72 -15.697 6.316 -3.783 1.00 0.00 H new ATOM 0 HA PHE A 72 -15.720 7.574 -1.117 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -14.901 4.835 -2.124 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -14.384 5.433 -0.560 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -17.246 4.276 -2.535 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -15.967 5.684 1.273 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -19.348 3.493 -1.542 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -18.066 4.898 2.272 1.00 0.00 H new ATOM 0 HZ PHE A 72 -19.765 3.802 0.866 1.00 0.00 H new ATOM 721 N GLU A 73 -13.362 8.335 -1.162 1.00 0.00 N ATOM 722 CA GLU A 73 -11.981 8.780 -1.161 1.00 0.00 C ATOM 723 C GLU A 73 -11.200 8.002 -0.120 1.00 0.00 C ATOM 724 O GLU A 73 -11.462 8.105 1.080 1.00 0.00 O ATOM 725 CB GLU A 73 -11.882 10.283 -0.892 1.00 0.00 C ATOM 726 CG GLU A 73 -10.448 10.801 -0.805 1.00 0.00 C ATOM 727 CD GLU A 73 -9.622 10.496 -2.046 1.00 0.00 C ATOM 728 OE1 GLU A 73 -10.214 10.227 -3.113 1.00 0.00 O ATOM 729 OE2 GLU A 73 -8.375 10.552 -1.964 1.00 0.00 O1- ATOM 0 H GLU A 73 -13.947 8.761 -0.443 1.00 0.00 H new ATOM 0 HA GLU A 73 -11.555 8.594 -2.147 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -12.405 10.819 -1.684 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -12.398 10.510 0.041 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -10.467 11.879 -0.646 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -9.961 10.359 0.065 1.00 0.00 H new ATOM 736 N VAL A 74 -10.267 7.197 -0.589 1.00 0.00 N ATOM 737 CA VAL A 74 -9.414 6.430 0.295 1.00 0.00 C ATOM 738 C VAL A 74 -8.390 7.344 0.956 1.00 0.00 C ATOM 739 O VAL A 74 -7.978 8.353 0.381 1.00 0.00 O ATOM 740 CB VAL A 74 -8.684 5.301 -0.463 1.00 0.00 C ATOM 741 CG1 VAL A 74 -9.679 4.298 -1.028 1.00 0.00 C ATOM 742 CG2 VAL A 74 -7.817 5.867 -1.575 1.00 0.00 C ATOM 0 H VAL A 74 -10.081 7.057 -1.582 1.00 0.00 H new ATOM 0 HA VAL A 74 -10.048 5.976 1.056 1.00 0.00 H new ATOM 0 HB VAL A 74 -8.038 4.785 0.247 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -9.142 3.512 -1.558 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -10.255 3.859 -0.214 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -10.354 4.804 -1.718 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -7.313 5.052 -2.094 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -8.442 6.415 -2.280 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -7.073 6.541 -1.149 1.00 0.00 H new ATOM 752 N THR A 75 -8.016 7.012 2.174 1.00 0.00 N ATOM 753 CA THR A 75 -6.989 7.749 2.881 1.00 0.00 C ATOM 754 C THR A 75 -5.665 7.000 2.782 1.00 0.00 C ATOM 755 O THR A 75 -4.682 7.518 2.259 1.00 0.00 O ATOM 756 CB THR A 75 -7.380 7.954 4.361 1.00 0.00 C ATOM 757 OG1 THR A 75 -8.682 8.540 4.443 1.00 0.00 O ATOM 758 CG2 THR A 75 -6.386 8.848 5.085 1.00 0.00 C ATOM 0 H THR A 75 -8.411 6.231 2.698 1.00 0.00 H new ATOM 0 HA THR A 75 -6.883 8.732 2.422 1.00 0.00 H new ATOM 0 HB THR A 75 -7.376 6.976 4.841 1.00 0.00 H new ATOM 0 HG1 THR A 75 -8.695 9.210 5.158 1.00 0.00 H new ATOM 0 HG21 THR A 75 -6.695 8.969 6.123 1.00 0.00 H new ATOM 0 HG22 THR A 75 -5.396 8.393 5.051 1.00 0.00 H new ATOM 0 HG23 THR A 75 -6.354 9.824 4.600 1.00 0.00 H new ATOM 766 N ARG A 76 -5.667 5.762 3.259 1.00 0.00 N ATOM 767 CA ARG A 76 -4.482 4.909 3.240 1.00 0.00 C ATOM 768 C ARG A 76 -4.916 3.447 3.187 1.00 0.00 C ATOM 769 O ARG A 76 -6.108 3.148 3.220 1.00 0.00 O ATOM 770 CB ARG A 76 -3.618 5.124 4.493 1.00 0.00 C ATOM 771 CG ARG A 76 -3.116 6.543 4.689 1.00 0.00 C ATOM 772 CD ARG A 76 -2.343 6.684 5.988 1.00 0.00 C ATOM 773 NE ARG A 76 -3.130 6.254 7.142 1.00 0.00 N ATOM 774 CZ ARG A 76 -2.739 6.385 8.407 1.00 0.00 C ATOM 775 NH1 ARG A 76 -1.580 6.965 8.697 1.00 0.00 N1+ ATOM 776 NH2 ARG A 76 -3.517 5.946 9.385 1.00 0.00 N ATOM 0 H ARG A 76 -6.489 5.319 3.670 1.00 0.00 H new ATOM 0 HA ARG A 76 -3.891 5.168 2.362 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -4.198 4.835 5.370 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -2.759 4.454 4.444 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -2.477 6.823 3.852 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -3.960 7.232 4.690 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -1.429 6.093 5.932 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -2.043 7.723 6.121 1.00 0.00 H new ATOM 0 HE ARG A 76 -4.039 5.825 6.966 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -0.983 7.314 7.947 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -1.287 7.062 9.669 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -4.413 5.509 9.167 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -3.220 6.045 10.356 1.00 0.00 H new ATOM 790 N VAL A 77 -3.952 2.549 3.108 1.00 0.00 N ATOM 791 CA VAL A 77 -4.215 1.122 3.196 1.00 0.00 C ATOM 792 C VAL A 77 -2.963 0.424 3.703 1.00 0.00 C ATOM 793 O VAL A 77 -1.854 0.877 3.428 1.00 0.00 O ATOM 794 CB VAL A 77 -4.638 0.528 1.828 1.00 0.00 C ATOM 795 CG1 VAL A 77 -3.534 0.703 0.809 1.00 0.00 C ATOM 796 CG2 VAL A 77 -5.018 -0.941 1.948 1.00 0.00 C ATOM 0 H VAL A 77 -2.968 2.785 2.982 1.00 0.00 H new ATOM 0 HA VAL A 77 -5.044 0.964 3.886 1.00 0.00 H new ATOM 0 HB VAL A 77 -5.519 1.074 1.491 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -3.849 0.280 -0.145 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -3.320 1.764 0.683 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -2.636 0.191 1.154 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -5.309 -1.323 0.969 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -4.165 -1.508 2.320 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -5.853 -1.045 2.641 1.00 0.00 H new ATOM 806 N ARG A 78 -3.131 -0.644 4.459 1.00 0.00 N ATOM 807 CA ARG A 78 -1.994 -1.386 4.966 1.00 0.00 C ATOM 808 C ARG A 78 -2.268 -2.880 4.882 1.00 0.00 C ATOM 809 O ARG A 78 -3.025 -3.438 5.680 1.00 0.00 O ATOM 810 CB ARG A 78 -1.660 -0.979 6.403 1.00 0.00 C ATOM 811 CG ARG A 78 -0.277 -1.439 6.838 1.00 0.00 C ATOM 812 CD ARG A 78 0.094 -0.913 8.213 1.00 0.00 C ATOM 813 NE ARG A 78 1.493 -1.198 8.537 1.00 0.00 N ATOM 814 CZ ARG A 78 2.039 -1.010 9.737 1.00 0.00 C ATOM 815 NH1 ARG A 78 1.301 -0.562 10.747 1.00 0.00 N1+ ATOM 816 NH2 ARG A 78 3.327 -1.277 9.926 1.00 0.00 N ATOM 0 H ARG A 78 -4.040 -1.016 4.734 1.00 0.00 H new ATOM 0 HA ARG A 78 -1.129 -1.149 4.347 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -1.722 0.106 6.493 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -2.407 -1.398 7.078 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -0.244 -2.528 6.846 1.00 0.00 H new ATOM 0 HG3 ARG A 78 0.462 -1.103 6.110 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -0.077 0.163 8.251 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -0.554 -1.365 8.964 1.00 0.00 H new ATOM 0 HE ARG A 78 2.089 -1.565 7.795 1.00 0.00 H new ATOM 0 HH11 ARG A 78 0.311 -0.360 10.605 1.00 0.00 H new ATOM 0 HH12 ARG A 78 1.724 -0.420 11.664 1.00 0.00 H new ATOM 0 HH21 ARG A 78 3.894 -1.625 9.153 1.00 0.00 H new ATOM 0 HH22 ARG A 78 3.748 -1.134 10.844 1.00 0.00 H new ATOM 830 N PRO A 79 -1.696 -3.526 3.861 1.00 0.00 N ATOM 831 CA PRO A 79 -1.782 -4.977 3.669 1.00 0.00 C ATOM 832 C PRO A 79 -1.194 -5.751 4.842 1.00 0.00 C ATOM 833 O PRO A 79 -0.143 -5.386 5.372 1.00 0.00 O ATOM 834 CB PRO A 79 -0.941 -5.208 2.405 1.00 0.00 C ATOM 835 CG PRO A 79 -0.983 -3.900 1.696 1.00 0.00 C ATOM 836 CD PRO A 79 -0.933 -2.878 2.783 1.00 0.00 C ATOM 0 HA PRO A 79 -2.813 -5.321 3.588 1.00 0.00 H new ATOM 0 HB2 PRO A 79 0.081 -5.494 2.653 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -1.356 -6.008 1.791 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -0.141 -3.793 1.013 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -1.891 -3.801 1.101 1.00 0.00 H new ATOM 0 HD2 PRO A 79 0.090 -2.657 3.086 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -1.385 -1.935 2.475 1.00 0.00 H new ATOM 844 N CYS A 80 -1.871 -6.815 5.251 1.00 0.00 N ATOM 845 CA CYS A 80 -1.374 -7.649 6.330 1.00 0.00 C ATOM 846 C CYS A 80 -0.300 -8.589 5.799 1.00 0.00 C ATOM 847 O CYS A 80 -0.590 -9.695 5.344 1.00 0.00 O ATOM 848 CB CYS A 80 -2.520 -8.440 6.961 1.00 0.00 C ATOM 849 SG CYS A 80 -2.062 -9.397 8.426 1.00 0.00 S ATOM 0 H CYS A 80 -2.760 -7.118 4.853 1.00 0.00 H new ATOM 0 HA CYS A 80 -0.936 -7.014 7.100 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -3.316 -7.746 7.231 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -2.929 -9.119 6.213 1.00 0.00 H new ATOM 0 HG CYS A 80 -1.094 -10.212 8.127 1.00 0.00 H new ATOM 943 N ILE B 26 10.534 6.374 8.484 1.00 0.00 N ATOM 944 CA ILE B 26 10.586 6.885 7.116 1.00 0.00 C ATOM 945 C ILE B 26 11.529 6.009 6.297 1.00 0.00 C ATOM 946 O ILE B 26 12.697 6.352 6.099 1.00 0.00 O ATOM 947 CB ILE B 26 11.099 8.342 7.058 1.00 0.00 C ATOM 948 CG1 ILE B 26 10.659 9.151 8.289 1.00 0.00 C ATOM 949 CG2 ILE B 26 10.601 9.009 5.782 1.00 0.00 C ATOM 950 CD1 ILE B 26 9.163 9.303 8.434 1.00 0.00 C ATOM 0 HA ILE B 26 9.573 6.864 6.715 1.00 0.00 H new ATOM 0 HB ILE B 26 12.189 8.317 7.057 1.00 0.00 H new ATOM 0 HG12 ILE B 26 11.051 8.669 9.184 1.00 0.00 H new ATOM 0 HG13 ILE B 26 11.109 10.142 8.237 1.00 0.00 H new ATOM 0 HG21 ILE B 26 10.964 10.036 5.743 1.00 0.00 H new ATOM 0 HG22 ILE B 26 10.971 8.460 4.916 1.00 0.00 H new ATOM 0 HG23 ILE B 26 9.511 9.009 5.773 1.00 0.00 H new ATOM 0 HD11 ILE B 26 8.941 9.886 9.328 1.00 0.00 H new ATOM 0 HD12 ILE B 26 8.763 9.814 7.558 1.00 0.00 H new ATOM 0 HD13 ILE B 26 8.704 8.318 8.521 1.00 0.00 H new ATOM 962 N LEU B 27 11.036 4.871 5.834 1.00 0.00 N ATOM 963 CA LEU B 27 11.907 3.869 5.237 1.00 0.00 C ATOM 964 C LEU B 27 11.176 3.018 4.212 1.00 0.00 C ATOM 965 O LEU B 27 9.953 3.068 4.093 1.00 0.00 O ATOM 966 CB LEU B 27 12.479 2.941 6.321 1.00 0.00 C ATOM 967 CG LEU B 27 11.498 1.909 6.914 1.00 0.00 C ATOM 968 CD1 LEU B 27 12.214 0.971 7.869 1.00 0.00 C ATOM 969 CD2 LEU B 27 10.343 2.587 7.632 1.00 0.00 C ATOM 0 H LEU B 27 10.048 4.619 5.859 1.00 0.00 H new ATOM 0 HA LEU B 27 12.711 4.409 4.736 1.00 0.00 H new ATOM 0 HB2 LEU B 27 13.329 2.404 5.900 1.00 0.00 H new ATOM 0 HB3 LEU B 27 12.862 3.558 7.134 1.00 0.00 H new ATOM 0 HG LEU B 27 11.095 1.332 6.082 1.00 0.00 H new ATOM 0 HD11 LEU B 27 11.502 0.252 8.275 1.00 0.00 H new ATOM 0 HD12 LEU B 27 13.002 0.440 7.335 1.00 0.00 H new ATOM 0 HD13 LEU B 27 12.653 1.547 8.684 1.00 0.00 H new ATOM 0 HD21 LEU B 27 9.672 1.830 8.037 1.00 0.00 H new ATOM 0 HD22 LEU B 27 10.730 3.201 8.445 1.00 0.00 H new ATOM 0 HD23 LEU B 27 9.797 3.217 6.929 1.00 0.00 H new ATOM 981 N ALA B 28 11.957 2.242 3.477 1.00 0.00 N ATOM 982 CA ALA B 28 11.429 1.206 2.613 1.00 0.00 C ATOM 983 C ALA B 28 11.476 -0.119 3.363 1.00 0.00 C ATOM 984 O ALA B 28 12.514 -0.485 3.915 1.00 0.00 O ATOM 985 CB ALA B 28 12.240 1.130 1.326 1.00 0.00 C ATOM 0 H ALA B 28 12.974 2.315 3.465 1.00 0.00 H new ATOM 0 HA ALA B 28 10.398 1.433 2.342 1.00 0.00 H new ATOM 0 HB1 ALA B 28 11.833 0.348 0.685 1.00 0.00 H new ATOM 0 HB2 ALA B 28 12.189 2.087 0.807 1.00 0.00 H new ATOM 0 HB3 ALA B 28 13.279 0.901 1.564 1.00 0.00 H new ATOM 991 N GLU B 29 10.341 -0.813 3.399 1.00 0.00 N ATOM 992 CA GLU B 29 10.198 -2.039 4.185 1.00 0.00 C ATOM 993 C GLU B 29 11.149 -3.131 3.707 1.00 0.00 C ATOM 994 O GLU B 29 11.528 -4.017 4.467 1.00 0.00 O ATOM 995 CB GLU B 29 8.751 -2.536 4.114 1.00 0.00 C ATOM 996 CG GLU B 29 8.465 -3.741 4.999 1.00 0.00 C ATOM 997 CD GLU B 29 8.914 -3.537 6.434 1.00 0.00 C ATOM 998 OE1 GLU B 29 8.432 -2.588 7.086 1.00 0.00 O1- ATOM 999 OE2 GLU B 29 9.757 -4.320 6.914 1.00 0.00 O ATOM 0 H GLU B 29 9.499 -0.545 2.889 1.00 0.00 H new ATOM 0 HA GLU B 29 10.455 -1.805 5.218 1.00 0.00 H new ATOM 0 HB2 GLU B 29 8.084 -1.722 4.399 1.00 0.00 H new ATOM 0 HB3 GLU B 29 8.516 -2.793 3.081 1.00 0.00 H new ATOM 0 HG2 GLU B 29 7.396 -3.951 4.984 1.00 0.00 H new ATOM 0 HG3 GLU B 29 8.968 -4.616 4.587 1.00 0.00 H new ATOM 1006 N ILE B 30 11.531 -3.071 2.448 1.00 0.00 N ATOM 1007 CA ILE B 30 12.459 -4.037 1.888 1.00 0.00 C ATOM 1008 C ILE B 30 13.479 -3.333 1.015 1.00 0.00 C ATOM 1009 O ILE B 30 13.281 -2.183 0.621 1.00 0.00 O ATOM 1010 CB ILE B 30 11.737 -5.113 1.051 1.00 0.00 C ATOM 1011 CG1 ILE B 30 10.748 -4.454 0.091 1.00 0.00 C ATOM 1012 CG2 ILE B 30 11.032 -6.119 1.952 1.00 0.00 C ATOM 1013 CD1 ILE B 30 10.133 -5.412 -0.898 1.00 0.00 C ATOM 0 H ILE B 30 11.213 -2.361 1.789 1.00 0.00 H new ATOM 0 HA ILE B 30 12.955 -4.530 2.724 1.00 0.00 H new ATOM 0 HB ILE B 30 12.480 -5.655 0.466 1.00 0.00 H new ATOM 0 HG12 ILE B 30 9.953 -3.983 0.669 1.00 0.00 H new ATOM 0 HG13 ILE B 30 11.259 -3.661 -0.455 1.00 0.00 H new ATOM 0 HG21 ILE B 30 10.530 -6.868 1.339 1.00 0.00 H new ATOM 0 HG22 ILE B 30 11.764 -6.608 2.594 1.00 0.00 H new ATOM 0 HG23 ILE B 30 10.296 -5.602 2.568 1.00 0.00 H new ATOM 0 HD11 ILE B 30 9.442 -4.872 -1.546 1.00 0.00 H new ATOM 0 HD12 ILE B 30 10.919 -5.865 -1.503 1.00 0.00 H new ATOM 0 HD13 ILE B 30 9.593 -6.192 -0.361 1.00 0.00 H new ATOM 1025 N SER B 31 14.570 -4.018 0.728 1.00 0.00 N ATOM 1026 CA SER B 31 15.604 -3.465 -0.121 1.00 0.00 C ATOM 1027 C SER B 31 15.299 -3.766 -1.575 1.00 0.00 C ATOM 1028 O SER B 31 14.864 -4.869 -1.923 1.00 0.00 O ATOM 1029 CB SER B 31 16.961 -4.047 0.239 1.00 0.00 C ATOM 1030 OG SER B 31 18.013 -3.433 -0.484 1.00 0.00 O ATOM 0 H SER B 31 14.762 -4.959 1.072 1.00 0.00 H new ATOM 0 HA SER B 31 15.629 -2.386 0.031 1.00 0.00 H new ATOM 0 HB2 SER B 31 17.136 -3.923 1.308 1.00 0.00 H new ATOM 0 HB3 SER B 31 16.960 -5.118 0.038 1.00 0.00 H new ATOM 0 HG SER B 31 18.598 -4.123 -0.860 1.00 0.00 H new ATOM 1036 N GLY B 32 15.553 -2.793 -2.411 1.00 0.00 N ATOM 1037 CA GLY B 32 15.284 -2.930 -3.819 1.00 0.00 C ATOM 1038 C GLY B 32 15.018 -1.608 -4.494 1.00 0.00 C ATOM 1039 O GLY B 32 15.462 -0.558 -4.030 1.00 0.00 O ATOM 0 H GLY B 32 15.948 -1.893 -2.139 1.00 0.00 H new ATOM 0 HA2 GLY B 32 16.133 -3.415 -4.301 1.00 0.00 H new ATOM 0 HA3 GLY B 32 14.423 -3.584 -3.958 1.00 0.00 H new ATOM 1043 N ILE B 33 14.300 -1.670 -5.600 1.00 0.00 N ATOM 1044 CA ILE B 33 13.968 -0.490 -6.369 1.00 0.00 C ATOM 1045 C ILE B 33 12.567 -0.015 -6.021 1.00 0.00 C ATOM 1046 O ILE B 33 11.579 -0.649 -6.389 1.00 0.00 O ATOM 1047 CB ILE B 33 14.041 -0.779 -7.880 1.00 0.00 C ATOM 1048 CG1 ILE B 33 15.434 -1.298 -8.257 1.00 0.00 C ATOM 1049 CG2 ILE B 33 13.690 0.465 -8.684 1.00 0.00 C ATOM 1050 CD1 ILE B 33 16.547 -0.282 -8.076 1.00 0.00 C ATOM 0 H ILE B 33 13.932 -2.539 -5.988 1.00 0.00 H new ATOM 0 HA ILE B 33 14.693 0.286 -6.121 1.00 0.00 H new ATOM 0 HB ILE B 33 13.310 -1.551 -8.120 1.00 0.00 H new ATOM 0 HG12 ILE B 33 15.658 -2.177 -7.652 1.00 0.00 H new ATOM 0 HG13 ILE B 33 15.419 -1.622 -9.298 1.00 0.00 H new ATOM 0 HG21 ILE B 33 13.748 0.238 -9.749 1.00 0.00 H new ATOM 0 HG22 ILE B 33 12.678 0.785 -8.436 1.00 0.00 H new ATOM 0 HG23 ILE B 33 14.392 1.263 -8.444 1.00 0.00 H new ATOM 0 HD11 ILE B 33 17.498 -0.729 -8.365 1.00 0.00 H new ATOM 0 HD12 ILE B 33 16.350 0.588 -8.702 1.00 0.00 H new ATOM 0 HD13 ILE B 33 16.593 0.025 -7.031 1.00 0.00 H new ATOM 1062 N VAL B 34 12.482 1.088 -5.304 1.00 0.00 N ATOM 1063 CA VAL B 34 11.195 1.652 -4.946 1.00 0.00 C ATOM 1064 C VAL B 34 10.608 2.410 -6.133 1.00 0.00 C ATOM 1065 O VAL B 34 11.208 3.347 -6.640 1.00 0.00 O ATOM 1066 CB VAL B 34 11.298 2.572 -3.705 1.00 0.00 C ATOM 1067 CG1 VAL B 34 12.387 3.616 -3.881 1.00 0.00 C ATOM 1068 CG2 VAL B 34 9.961 3.234 -3.412 1.00 0.00 C ATOM 0 H VAL B 34 13.287 1.611 -4.958 1.00 0.00 H new ATOM 0 HA VAL B 34 10.528 0.830 -4.685 1.00 0.00 H new ATOM 0 HB VAL B 34 11.568 1.950 -2.852 1.00 0.00 H new ATOM 0 HG11 VAL B 34 12.434 4.246 -2.993 1.00 0.00 H new ATOM 0 HG12 VAL B 34 13.347 3.120 -4.025 1.00 0.00 H new ATOM 0 HG13 VAL B 34 12.163 4.232 -4.752 1.00 0.00 H new ATOM 0 HG21 VAL B 34 10.057 3.876 -2.536 1.00 0.00 H new ATOM 0 HG22 VAL B 34 9.656 3.834 -4.270 1.00 0.00 H new ATOM 0 HG23 VAL B 34 9.210 2.468 -3.220 1.00 0.00 H new ATOM 1078 N SER B 35 9.451 1.970 -6.589 1.00 0.00 N ATOM 1079 CA SER B 35 8.789 2.575 -7.731 1.00 0.00 C ATOM 1080 C SER B 35 7.381 3.014 -7.361 1.00 0.00 C ATOM 1081 O SER B 35 6.884 2.676 -6.285 1.00 0.00 O ATOM 1082 CB SER B 35 8.754 1.598 -8.907 1.00 0.00 C ATOM 1083 OG SER B 35 8.698 0.247 -8.467 1.00 0.00 O ATOM 0 H SER B 35 8.944 1.185 -6.180 1.00 0.00 H new ATOM 0 HA SER B 35 9.356 3.457 -8.031 1.00 0.00 H new ATOM 0 HB2 SER B 35 7.888 1.813 -9.533 1.00 0.00 H new ATOM 0 HB3 SER B 35 9.639 1.743 -9.527 1.00 0.00 H new ATOM 0 HG SER B 35 8.675 -0.349 -9.244 1.00 0.00 H new ATOM 1089 N PHE B 36 6.742 3.772 -8.243 1.00 0.00 N ATOM 1090 CA PHE B 36 5.408 4.278 -7.974 1.00 0.00 C ATOM 1091 C PHE B 36 4.455 3.904 -9.098 1.00 0.00 C ATOM 1092 O PHE B 36 4.821 3.929 -10.272 1.00 0.00 O ATOM 1093 CB PHE B 36 5.417 5.800 -7.803 1.00 0.00 C ATOM 1094 CG PHE B 36 6.282 6.298 -6.678 1.00 0.00 C ATOM 1095 CD1 PHE B 36 6.325 5.638 -5.457 1.00 0.00 C ATOM 1096 CD2 PHE B 36 7.051 7.437 -6.845 1.00 0.00 C ATOM 1097 CE1 PHE B 36 7.121 6.107 -4.430 1.00 0.00 C ATOM 1098 CE2 PHE B 36 7.846 7.909 -5.821 1.00 0.00 C ATOM 1099 CZ PHE B 36 7.882 7.243 -4.613 1.00 0.00 C ATOM 0 H PHE B 36 7.127 4.048 -9.147 1.00 0.00 H new ATOM 0 HA PHE B 36 5.067 3.822 -7.045 1.00 0.00 H new ATOM 0 HB2 PHE B 36 5.756 6.255 -8.734 1.00 0.00 H new ATOM 0 HB3 PHE B 36 4.395 6.140 -7.636 1.00 0.00 H new ATOM 0 HD1 PHE B 36 5.730 4.749 -5.309 1.00 0.00 H new ATOM 0 HD2 PHE B 36 7.028 7.962 -7.788 1.00 0.00 H new ATOM 0 HE1 PHE B 36 7.148 5.585 -3.485 1.00 0.00 H new ATOM 0 HE2 PHE B 36 8.440 8.799 -5.965 1.00 0.00 H new ATOM 0 HZ PHE B 36 8.505 7.611 -3.811 1.00 0.00 H new ATOM 1109 N GLY B 37 3.235 3.556 -8.726 1.00 0.00 N ATOM 1110 CA GLY B 37 2.220 3.238 -9.707 1.00 0.00 C ATOM 1111 C GLY B 37 1.014 4.147 -9.588 1.00 0.00 C ATOM 1112 O GLY B 37 1.052 5.127 -8.832 1.00 0.00 O ATOM 0 H GLY B 37 2.927 3.488 -7.756 1.00 0.00 H new ATOM 0 HA2 GLY B 37 2.643 3.325 -10.708 1.00 0.00 H new ATOM 0 HA3 GLY B 37 1.907 2.201 -9.582 1.00 0.00 H new ATOM 1116 N LYS B 38 -0.061 3.801 -10.302 1.00 0.00 N ATOM 1117 CA LYS B 38 -1.246 4.657 -10.403 1.00 0.00 C ATOM 1118 C LYS B 38 -1.795 5.020 -9.022 1.00 0.00 C ATOM 1119 O LYS B 38 -1.843 4.181 -8.113 1.00 0.00 O ATOM 1120 CB LYS B 38 -2.340 3.982 -11.260 1.00 0.00 C ATOM 1121 CG LYS B 38 -3.317 3.101 -10.484 1.00 0.00 C ATOM 1122 CD LYS B 38 -2.651 1.867 -9.898 1.00 0.00 C ATOM 1123 CE LYS B 38 -3.518 1.237 -8.821 1.00 0.00 C ATOM 1124 NZ LYS B 38 -3.867 2.220 -7.758 1.00 0.00 N1+ ATOM 0 H LYS B 38 -0.134 2.927 -10.822 1.00 0.00 H new ATOM 0 HA LYS B 38 -0.942 5.581 -10.895 1.00 0.00 H new ATOM 0 HB2 LYS B 38 -2.905 4.758 -11.777 1.00 0.00 H new ATOM 0 HB3 LYS B 38 -1.857 3.375 -12.026 1.00 0.00 H new ATOM 0 HG2 LYS B 38 -3.766 3.684 -9.680 1.00 0.00 H new ATOM 0 HG3 LYS B 38 -4.127 2.793 -11.145 1.00 0.00 H new ATOM 0 HD2 LYS B 38 -2.463 1.141 -10.689 1.00 0.00 H new ATOM 0 HD3 LYS B 38 -1.683 2.138 -9.477 1.00 0.00 H new ATOM 0 HE2 LYS B 38 -4.431 0.845 -9.270 1.00 0.00 H new ATOM 0 HE3 LYS B 38 -2.992 0.391 -8.378 1.00 0.00 H new ATOM 0 HZ1 LYS B 38 -3.905 1.737 -6.838 1.00 0.00 H new ATOM 0 HZ2 LYS B 38 -3.145 2.968 -7.727 1.00 0.00 H new ATOM 0 HZ3 LYS B 38 -4.794 2.642 -7.966 1.00 0.00 H new ATOM 1138 N GLU B 39 -2.163 6.279 -8.859 1.00 0.00 N ATOM 1139 CA GLU B 39 -2.712 6.757 -7.603 1.00 0.00 C ATOM 1140 C GLU B 39 -3.980 7.573 -7.816 1.00 0.00 C ATOM 1141 O GLU B 39 -4.262 8.016 -8.928 1.00 0.00 O ATOM 1142 CB GLU B 39 -1.667 7.558 -6.827 1.00 0.00 C ATOM 1143 CG GLU B 39 -0.720 8.400 -7.680 1.00 0.00 C ATOM 1144 CD GLU B 39 -1.404 9.536 -8.415 1.00 0.00 C ATOM 1145 OE1 GLU B 39 -2.061 10.371 -7.757 1.00 0.00 O1- ATOM 1146 OE2 GLU B 39 -1.275 9.607 -9.656 1.00 0.00 O ATOM 0 H GLU B 39 -2.091 6.992 -9.585 1.00 0.00 H new ATOM 0 HA GLU B 39 -2.986 5.885 -7.009 1.00 0.00 H new ATOM 0 HB2 GLU B 39 -2.184 8.217 -6.130 1.00 0.00 H new ATOM 0 HB3 GLU B 39 -1.073 6.866 -6.230 1.00 0.00 H new ATOM 0 HG2 GLU B 39 0.061 8.812 -7.041 1.00 0.00 H new ATOM 0 HG3 GLU B 39 -0.229 7.753 -8.407 1.00 0.00 H new ATOM 1153 N THR B 40 -4.754 7.740 -6.753 1.00 0.00 N ATOM 1154 CA THR B 40 -5.949 8.562 -6.805 1.00 0.00 C ATOM 1155 C THR B 40 -5.770 9.858 -6.008 1.00 0.00 C ATOM 1156 O THR B 40 -5.793 9.850 -4.776 1.00 0.00 O ATOM 1157 CB THR B 40 -7.199 7.794 -6.300 1.00 0.00 C ATOM 1158 OG1 THR B 40 -8.346 8.660 -6.284 1.00 0.00 O ATOM 1159 CG2 THR B 40 -6.978 7.214 -4.909 1.00 0.00 C ATOM 0 H THR B 40 -4.573 7.315 -5.844 1.00 0.00 H new ATOM 0 HA THR B 40 -6.109 8.818 -7.852 1.00 0.00 H new ATOM 0 HB THR B 40 -7.375 6.969 -6.990 1.00 0.00 H new ATOM 0 HG1 THR B 40 -9.127 8.162 -5.965 1.00 0.00 H new ATOM 0 HG21 THR B 40 -7.875 6.684 -4.589 1.00 0.00 H new ATOM 0 HG22 THR B 40 -6.136 6.522 -4.933 1.00 0.00 H new ATOM 0 HG23 THR B 40 -6.764 8.021 -4.208 1.00 0.00 H new ATOM 1167 N LYS B 41 -5.523 10.946 -6.739 1.00 0.00 N ATOM 1168 CA LYS B 41 -5.523 12.316 -6.208 1.00 0.00 C ATOM 1169 C LYS B 41 -4.810 12.448 -4.855 1.00 0.00 C ATOM 1170 O LYS B 41 -5.421 12.312 -3.794 1.00 0.00 O ATOM 1171 CB LYS B 41 -6.961 12.827 -6.106 1.00 0.00 C ATOM 1172 CG LYS B 41 -7.060 14.308 -5.781 1.00 0.00 C ATOM 1173 CD LYS B 41 -8.502 14.784 -5.820 1.00 0.00 C ATOM 1174 CE LYS B 41 -8.622 16.251 -5.447 1.00 0.00 C ATOM 1175 NZ LYS B 41 -8.239 16.499 -4.032 1.00 0.00 N1+ ATOM 0 H LYS B 41 -5.313 10.902 -7.736 1.00 0.00 H new ATOM 0 HA LYS B 41 -4.955 12.928 -6.909 1.00 0.00 H new ATOM 0 HB2 LYS B 41 -7.473 12.636 -7.049 1.00 0.00 H new ATOM 0 HB3 LYS B 41 -7.486 12.259 -5.337 1.00 0.00 H new ATOM 0 HG2 LYS B 41 -6.639 14.495 -4.793 1.00 0.00 H new ATOM 0 HG3 LYS B 41 -6.466 14.880 -6.494 1.00 0.00 H new ATOM 0 HD2 LYS B 41 -8.909 14.629 -6.819 1.00 0.00 H new ATOM 0 HD3 LYS B 41 -9.101 14.185 -5.135 1.00 0.00 H new ATOM 0 HE2 LYS B 41 -7.987 16.845 -6.104 1.00 0.00 H new ATOM 0 HE3 LYS B 41 -9.647 16.583 -5.609 1.00 0.00 H new ATOM 0 HZ1 LYS B 41 -8.524 17.461 -3.759 1.00 0.00 H new ATOM 0 HZ2 LYS B 41 -8.716 15.809 -3.417 1.00 0.00 H new ATOM 0 HZ3 LYS B 41 -7.209 16.401 -3.929 1.00 0.00 H new ATOM 1189 N GLY B 42 -3.513 12.713 -4.901 1.00 0.00 N ATOM 1190 CA GLY B 42 -2.765 12.963 -3.681 1.00 0.00 C ATOM 1191 C GLY B 42 -2.218 11.694 -3.065 1.00 0.00 C ATOM 1192 O GLY B 42 -1.506 11.732 -2.060 1.00 0.00 O ATOM 0 H GLY B 42 -2.963 12.760 -5.759 1.00 0.00 H new ATOM 0 HA2 GLY B 42 -1.941 13.642 -3.897 1.00 0.00 H new ATOM 0 HA3 GLY B 42 -3.410 13.464 -2.960 1.00 0.00 H new ATOM 1196 N LYS B 43 -2.562 10.565 -3.655 1.00 0.00 N ATOM 1197 CA LYS B 43 -2.055 9.292 -3.197 1.00 0.00 C ATOM 1198 C LYS B 43 -0.834 8.895 -4.011 1.00 0.00 C ATOM 1199 O LYS B 43 -0.404 9.649 -4.882 1.00 0.00 O ATOM 1200 CB LYS B 43 -3.144 8.230 -3.299 1.00 0.00 C ATOM 1201 CG LYS B 43 -3.489 7.611 -1.961 1.00 0.00 C ATOM 1202 CD LYS B 43 -3.947 8.648 -0.944 1.00 0.00 C ATOM 1203 CE LYS B 43 -5.437 8.936 -1.038 1.00 0.00 C ATOM 1204 NZ LYS B 43 -5.784 9.930 -2.092 1.00 0.00 N1+ ATOM 0 H LYS B 43 -3.193 10.507 -4.455 1.00 0.00 H new ATOM 0 HA LYS B 43 -1.757 9.379 -2.152 1.00 0.00 H new ATOM 0 HB2 LYS B 43 -4.041 8.676 -3.729 1.00 0.00 H new ATOM 0 HB3 LYS B 43 -2.818 7.447 -3.983 1.00 0.00 H new ATOM 0 HG2 LYS B 43 -4.275 6.869 -2.099 1.00 0.00 H new ATOM 0 HG3 LYS B 43 -2.618 7.084 -1.572 1.00 0.00 H new ATOM 0 HD2 LYS B 43 -3.711 8.297 0.060 1.00 0.00 H new ATOM 0 HD3 LYS B 43 -3.391 9.573 -1.097 1.00 0.00 H new ATOM 0 HE2 LYS B 43 -5.967 8.005 -1.239 1.00 0.00 H new ATOM 0 HE3 LYS B 43 -5.790 9.302 -0.074 1.00 0.00 H new ATOM 0 HZ1 LYS B 43 -6.715 10.346 -1.884 1.00 0.00 H new ATOM 0 HZ2 LYS B 43 -5.065 10.682 -2.110 1.00 0.00 H new ATOM 0 HZ3 LYS B 43 -5.815 9.458 -3.018 1.00 0.00 H new ATOM 1218 N ARG B 44 -0.252 7.742 -3.708 1.00 0.00 N ATOM 1219 CA ARG B 44 0.872 7.234 -4.479 1.00 0.00 C ATOM 1220 C ARG B 44 1.025 5.723 -4.262 1.00 0.00 C ATOM 1221 O ARG B 44 1.050 5.257 -3.129 1.00 0.00 O ATOM 1222 CB ARG B 44 2.140 7.995 -4.070 1.00 0.00 C ATOM 1223 CG ARG B 44 3.404 7.537 -4.769 1.00 0.00 C ATOM 1224 CD ARG B 44 4.520 8.547 -4.575 1.00 0.00 C ATOM 1225 NE ARG B 44 4.193 9.833 -5.188 1.00 0.00 N ATOM 1226 CZ ARG B 44 4.999 10.893 -5.193 1.00 0.00 C ATOM 1227 NH1 ARG B 44 6.190 10.840 -4.605 1.00 0.00 N1+ ATOM 1228 NH2 ARG B 44 4.607 12.011 -5.788 1.00 0.00 N ATOM 0 H ARG B 44 -0.540 7.143 -2.935 1.00 0.00 H new ATOM 0 HA ARG B 44 0.698 7.392 -5.543 1.00 0.00 H new ATOM 0 HB2 ARG B 44 1.992 9.056 -4.273 1.00 0.00 H new ATOM 0 HB3 ARG B 44 2.278 7.892 -2.994 1.00 0.00 H new ATOM 0 HG2 ARG B 44 3.712 6.568 -4.377 1.00 0.00 H new ATOM 0 HG3 ARG B 44 3.209 7.403 -5.833 1.00 0.00 H new ATOM 0 HD2 ARG B 44 4.704 8.687 -3.510 1.00 0.00 H new ATOM 0 HD3 ARG B 44 5.442 8.160 -5.009 1.00 0.00 H new ATOM 0 HE ARG B 44 3.285 9.925 -5.643 1.00 0.00 H new ATOM 0 HH11 ARG B 44 6.494 9.982 -4.145 1.00 0.00 H new ATOM 0 HH12 ARG B 44 6.800 11.657 -4.614 1.00 0.00 H new ATOM 0 HH21 ARG B 44 3.693 12.056 -6.238 1.00 0.00 H new ATOM 0 HH22 ARG B 44 5.220 12.827 -5.795 1.00 0.00 H new ATOM 1242 N ARG B 45 1.092 4.945 -5.338 1.00 0.00 N ATOM 1243 CA ARG B 45 1.280 3.504 -5.193 1.00 0.00 C ATOM 1244 C ARG B 45 2.750 3.186 -4.949 1.00 0.00 C ATOM 1245 O ARG B 45 3.567 3.287 -5.859 1.00 0.00 O ATOM 1246 CB ARG B 45 0.783 2.748 -6.433 1.00 0.00 C ATOM 1247 CG ARG B 45 1.005 1.242 -6.352 1.00 0.00 C ATOM 1248 CD ARG B 45 0.602 0.531 -7.639 1.00 0.00 C ATOM 1249 NE ARG B 45 0.900 -0.902 -7.589 1.00 0.00 N ATOM 1250 CZ ARG B 45 0.325 -1.821 -8.368 1.00 0.00 C ATOM 1251 NH1 ARG B 45 -0.503 -1.458 -9.340 1.00 0.00 N1+ ATOM 1252 NH2 ARG B 45 0.616 -3.101 -8.194 1.00 0.00 N ATOM 0 H ARG B 45 1.021 5.277 -6.300 1.00 0.00 H new ATOM 0 HA ARG B 45 0.692 3.176 -4.336 1.00 0.00 H new ATOM 0 HB2 ARG B 45 -0.281 2.944 -6.567 1.00 0.00 H new ATOM 0 HB3 ARG B 45 1.293 3.136 -7.315 1.00 0.00 H new ATOM 0 HG2 ARG B 45 2.056 1.042 -6.142 1.00 0.00 H new ATOM 0 HG3 ARG B 45 0.431 0.836 -5.519 1.00 0.00 H new ATOM 0 HD2 ARG B 45 -0.464 0.674 -7.814 1.00 0.00 H new ATOM 0 HD3 ARG B 45 1.126 0.981 -8.482 1.00 0.00 H new ATOM 0 HE ARG B 45 1.594 -1.220 -6.913 1.00 0.00 H new ATOM 0 HH11 ARG B 45 -0.704 -0.470 -9.496 1.00 0.00 H new ATOM 0 HH12 ARG B 45 -0.938 -2.167 -9.931 1.00 0.00 H new ATOM 0 HH21 ARG B 45 1.276 -3.380 -7.468 1.00 0.00 H new ATOM 0 HH22 ARG B 45 0.180 -3.808 -8.786 1.00 0.00 H new ATOM 1266 N LEU B 46 3.081 2.813 -3.721 1.00 0.00 N ATOM 1267 CA LEU B 46 4.455 2.480 -3.373 1.00 0.00 C ATOM 1268 C LEU B 46 4.750 1.032 -3.731 1.00 0.00 C ATOM 1269 O LEU B 46 4.210 0.110 -3.118 1.00 0.00 O ATOM 1270 CB LEU B 46 4.707 2.696 -1.879 1.00 0.00 C ATOM 1271 CG LEU B 46 6.163 2.524 -1.440 1.00 0.00 C ATOM 1272 CD1 LEU B 46 6.982 3.735 -1.838 1.00 0.00 C ATOM 1273 CD2 LEU B 46 6.258 2.276 0.058 1.00 0.00 C ATOM 0 H LEU B 46 2.418 2.733 -2.950 1.00 0.00 H new ATOM 0 HA LEU B 46 5.115 3.137 -3.939 1.00 0.00 H new ATOM 0 HB2 LEU B 46 4.378 3.700 -1.611 1.00 0.00 H new ATOM 0 HB3 LEU B 46 4.088 1.997 -1.316 1.00 0.00 H new ATOM 0 HG LEU B 46 6.570 1.650 -1.948 1.00 0.00 H new ATOM 0 HD11 LEU B 46 8.015 3.597 -1.518 1.00 0.00 H new ATOM 0 HD12 LEU B 46 6.950 3.856 -2.921 1.00 0.00 H new ATOM 0 HD13 LEU B 46 6.571 4.625 -1.361 1.00 0.00 H new ATOM 0 HD21 LEU B 46 7.304 2.158 0.342 1.00 0.00 H new ATOM 0 HD22 LEU B 46 5.830 3.123 0.595 1.00 0.00 H new ATOM 0 HD23 LEU B 46 5.708 1.370 0.312 1.00 0.00 H new ATOM 1285 N VAL B 47 5.589 0.837 -4.733 1.00 0.00 N ATOM 1286 CA VAL B 47 5.980 -0.496 -5.152 1.00 0.00 C ATOM 1287 C VAL B 47 7.467 -0.699 -4.933 1.00 0.00 C ATOM 1288 O VAL B 47 8.281 -0.228 -5.721 1.00 0.00 O ATOM 1289 CB VAL B 47 5.677 -0.728 -6.647 1.00 0.00 C ATOM 1290 CG1 VAL B 47 6.066 -2.137 -7.067 1.00 0.00 C ATOM 1291 CG2 VAL B 47 4.215 -0.457 -6.950 1.00 0.00 C ATOM 0 H VAL B 47 6.014 1.590 -5.274 1.00 0.00 H new ATOM 0 HA VAL B 47 5.406 -1.204 -4.554 1.00 0.00 H new ATOM 0 HB VAL B 47 6.277 -0.026 -7.226 1.00 0.00 H new ATOM 0 HG11 VAL B 47 5.843 -2.276 -8.125 1.00 0.00 H new ATOM 0 HG12 VAL B 47 7.133 -2.285 -6.899 1.00 0.00 H new ATOM 0 HG13 VAL B 47 5.502 -2.861 -6.479 1.00 0.00 H new ATOM 0 HG21 VAL B 47 4.025 -0.627 -8.010 1.00 0.00 H new ATOM 0 HG22 VAL B 47 3.591 -1.126 -6.358 1.00 0.00 H new ATOM 0 HG23 VAL B 47 3.977 0.577 -6.700 1.00 0.00 H new ATOM 1301 N ILE B 48 7.835 -1.402 -3.883 1.00 0.00 N ATOM 1302 CA ILE B 48 9.238 -1.666 -3.638 1.00 0.00 C ATOM 1303 C ILE B 48 9.617 -2.981 -4.289 1.00 0.00 C ATOM 1304 O ILE B 48 9.155 -4.040 -3.871 1.00 0.00 O ATOM 1305 CB ILE B 48 9.584 -1.717 -2.138 1.00 0.00 C ATOM 1306 CG1 ILE B 48 8.933 -0.544 -1.397 1.00 0.00 C ATOM 1307 CG2 ILE B 48 11.102 -1.681 -1.957 1.00 0.00 C ATOM 1308 CD1 ILE B 48 9.073 -0.624 0.107 1.00 0.00 C ATOM 0 H ILE B 48 7.194 -1.796 -3.194 1.00 0.00 H new ATOM 0 HA ILE B 48 9.805 -0.841 -4.069 1.00 0.00 H new ATOM 0 HB ILE B 48 9.196 -2.645 -1.718 1.00 0.00 H new ATOM 0 HG12 ILE B 48 9.379 0.387 -1.746 1.00 0.00 H new ATOM 0 HG13 ILE B 48 7.874 -0.506 -1.653 1.00 0.00 H new ATOM 0 HG21 ILE B 48 11.343 -1.717 -0.895 1.00 0.00 H new ATOM 0 HG22 ILE B 48 11.549 -2.539 -2.460 1.00 0.00 H new ATOM 0 HG23 ILE B 48 11.498 -0.761 -2.388 1.00 0.00 H new ATOM 0 HD11 ILE B 48 8.589 0.239 0.564 1.00 0.00 H new ATOM 0 HD12 ILE B 48 8.602 -1.538 0.468 1.00 0.00 H new ATOM 0 HD13 ILE B 48 10.130 -0.631 0.374 1.00 0.00 H new ATOM 1320 N THR B 49 10.429 -2.894 -5.330 1.00 0.00 N ATOM 1321 CA THR B 49 10.874 -4.061 -6.072 1.00 0.00 C ATOM 1322 C THR B 49 12.090 -4.693 -5.389 1.00 0.00 C ATOM 1323 O THR B 49 13.212 -4.210 -5.544 1.00 0.00 O ATOM 1324 CB THR B 49 11.224 -3.677 -7.530 1.00 0.00 C ATOM 1325 OG1 THR B 49 10.093 -3.051 -8.154 1.00 0.00 O ATOM 1326 CG2 THR B 49 11.637 -4.902 -8.335 1.00 0.00 C ATOM 0 H THR B 49 10.798 -2.012 -5.684 1.00 0.00 H new ATOM 0 HA THR B 49 10.062 -4.788 -6.089 1.00 0.00 H new ATOM 0 HB THR B 49 12.063 -2.981 -7.506 1.00 0.00 H new ATOM 0 HG1 THR B 49 10.321 -2.809 -9.076 1.00 0.00 H new ATOM 0 HG21 THR B 49 11.877 -4.603 -9.355 1.00 0.00 H new ATOM 0 HG22 THR B 49 12.513 -5.361 -7.876 1.00 0.00 H new ATOM 0 HG23 THR B 49 10.817 -5.620 -8.351 1.00 0.00 H new ATOM 1334 N PRO B 50 11.876 -5.773 -4.614 1.00 0.00 N ATOM 1335 CA PRO B 50 12.933 -6.405 -3.818 1.00 0.00 C ATOM 1336 C PRO B 50 14.088 -6.937 -4.658 1.00 0.00 C ATOM 1337 O PRO B 50 13.895 -7.737 -5.573 1.00 0.00 O ATOM 1338 CB PRO B 50 12.226 -7.565 -3.108 1.00 0.00 C ATOM 1339 CG PRO B 50 10.970 -7.794 -3.878 1.00 0.00 C ATOM 1340 CD PRO B 50 10.585 -6.461 -4.450 1.00 0.00 C ATOM 0 HA PRO B 50 13.388 -5.681 -3.142 1.00 0.00 H new ATOM 0 HB2 PRO B 50 12.850 -8.459 -3.099 1.00 0.00 H new ATOM 0 HB3 PRO B 50 12.010 -7.317 -2.069 1.00 0.00 H new ATOM 0 HG2 PRO B 50 11.126 -8.527 -4.669 1.00 0.00 H new ATOM 0 HG3 PRO B 50 10.183 -8.184 -3.233 1.00 0.00 H new ATOM 0 HD2 PRO B 50 10.063 -6.568 -5.401 1.00 0.00 H new ATOM 0 HD3 PRO B 50 9.920 -5.914 -3.781 1.00 0.00 H new ATOM 1348 N VAL B 51 15.288 -6.477 -4.342 1.00 0.00 N ATOM 1349 CA VAL B 51 16.498 -7.010 -4.951 1.00 0.00 C ATOM 1350 C VAL B 51 17.205 -7.917 -3.957 1.00 0.00 C ATOM 1351 O VAL B 51 18.083 -8.701 -4.313 1.00 0.00 O ATOM 1352 CB VAL B 51 17.461 -5.894 -5.403 1.00 0.00 C ATOM 1353 CG1 VAL B 51 16.788 -4.986 -6.419 1.00 0.00 C ATOM 1354 CG2 VAL B 51 17.965 -5.101 -4.208 1.00 0.00 C ATOM 0 H VAL B 51 15.451 -5.732 -3.664 1.00 0.00 H new ATOM 0 HA VAL B 51 16.204 -7.571 -5.838 1.00 0.00 H new ATOM 0 HB VAL B 51 18.323 -6.357 -5.884 1.00 0.00 H new ATOM 0 HG11 VAL B 51 17.484 -4.205 -6.726 1.00 0.00 H new ATOM 0 HG12 VAL B 51 16.492 -5.571 -7.290 1.00 0.00 H new ATOM 0 HG13 VAL B 51 15.905 -4.530 -5.971 1.00 0.00 H new ATOM 0 HG21 VAL B 51 18.643 -4.319 -4.550 1.00 0.00 H new ATOM 0 HG22 VAL B 51 17.120 -4.648 -3.690 1.00 0.00 H new ATOM 0 HG23 VAL B 51 18.494 -5.767 -3.526 1.00 0.00 H new ATOM 1364 N ASP B 52 16.809 -7.788 -2.699 1.00 0.00 N ATOM 1365 CA ASP B 52 17.340 -8.617 -1.632 1.00 0.00 C ATOM 1366 C ASP B 52 16.213 -9.435 -1.022 1.00 0.00 C ATOM 1367 O ASP B 52 15.599 -9.027 -0.032 1.00 0.00 O ATOM 1368 CB ASP B 52 18.009 -7.757 -0.553 1.00 0.00 C ATOM 1369 CG ASP B 52 19.236 -7.012 -1.054 1.00 0.00 C ATOM 1370 OD1 ASP B 52 20.251 -7.670 -1.372 1.00 0.00 O ATOM 1371 OD2 ASP B 52 19.200 -5.765 -1.115 1.00 0.00 O1- ATOM 0 H ASP B 52 16.113 -7.108 -2.392 1.00 0.00 H new ATOM 0 HA ASP B 52 18.094 -9.285 -2.048 1.00 0.00 H new ATOM 0 HB2 ASP B 52 17.285 -7.036 -0.172 1.00 0.00 H new ATOM 0 HB3 ASP B 52 18.296 -8.394 0.284 1.00 0.00 H new ATOM 1376 N GLY B 53 15.914 -10.564 -1.641 1.00 0.00 N ATOM 1377 CA GLY B 53 14.850 -11.420 -1.158 1.00 0.00 C ATOM 1378 C GLY B 53 13.667 -11.438 -2.103 1.00 0.00 C ATOM 1379 O GLY B 53 13.581 -10.609 -3.012 1.00 0.00 O ATOM 0 H GLY B 53 16.392 -10.906 -2.475 1.00 0.00 H new ATOM 0 HA2 GLY B 53 15.229 -12.434 -1.031 1.00 0.00 H new ATOM 0 HA3 GLY B 53 14.525 -11.076 -0.176 1.00 0.00 H new ATOM 1383 N SER B 54 12.756 -12.374 -1.893 1.00 0.00 N ATOM 1384 CA SER B 54 11.588 -12.508 -2.750 1.00 0.00 C ATOM 1385 C SER B 54 10.309 -12.152 -1.991 1.00 0.00 C ATOM 1386 O SER B 54 9.329 -12.900 -2.001 1.00 0.00 O ATOM 1387 CB SER B 54 11.517 -13.934 -3.306 1.00 0.00 C ATOM 1388 OG SER B 54 11.714 -14.892 -2.278 1.00 0.00 O ATOM 0 H SER B 54 12.803 -13.054 -1.134 1.00 0.00 H new ATOM 0 HA SER B 54 11.680 -11.810 -3.582 1.00 0.00 H new ATOM 0 HB2 SER B 54 10.548 -14.096 -3.778 1.00 0.00 H new ATOM 0 HB3 SER B 54 12.274 -14.065 -4.079 1.00 0.00 H new ATOM 0 HG SER B 54 11.662 -15.794 -2.657 1.00 0.00 H new ATOM 1394 N ASP B 55 10.329 -11.003 -1.327 1.00 0.00 N ATOM 1395 CA ASP B 55 9.166 -10.521 -0.584 1.00 0.00 C ATOM 1396 C ASP B 55 8.660 -9.211 -1.166 1.00 0.00 C ATOM 1397 O ASP B 55 9.065 -8.143 -0.723 1.00 0.00 O ATOM 1398 CB ASP B 55 9.508 -10.308 0.894 1.00 0.00 C ATOM 1399 CG ASP B 55 9.410 -11.576 1.718 1.00 0.00 C ATOM 1400 OD1 ASP B 55 8.280 -11.983 2.067 1.00 0.00 O ATOM 1401 OD2 ASP B 55 10.464 -12.167 2.037 1.00 0.00 O1- ATOM 0 H ASP B 55 11.139 -10.384 -1.286 1.00 0.00 H new ATOM 0 HA ASP B 55 8.389 -11.281 -0.667 1.00 0.00 H new ATOM 0 HB2 ASP B 55 10.519 -9.909 0.972 1.00 0.00 H new ATOM 0 HB3 ASP B 55 8.836 -9.558 1.311 1.00 0.00 H new ATOM 1406 N PRO B 56 7.777 -9.271 -2.177 1.00 0.00 N ATOM 1407 CA PRO B 56 7.211 -8.071 -2.805 1.00 0.00 C ATOM 1408 C PRO B 56 6.358 -7.262 -1.833 1.00 0.00 C ATOM 1409 O PRO B 56 5.361 -7.760 -1.303 1.00 0.00 O ATOM 1410 CB PRO B 56 6.341 -8.626 -3.941 1.00 0.00 C ATOM 1411 CG PRO B 56 6.809 -10.027 -4.143 1.00 0.00 C ATOM 1412 CD PRO B 56 7.261 -10.500 -2.793 1.00 0.00 C ATOM 0 HA PRO B 56 7.990 -7.389 -3.147 1.00 0.00 H new ATOM 0 HB2 PRO B 56 5.284 -8.598 -3.677 1.00 0.00 H new ATOM 0 HB3 PRO B 56 6.458 -8.037 -4.850 1.00 0.00 H new ATOM 0 HG2 PRO B 56 6.008 -10.656 -4.531 1.00 0.00 H new ATOM 0 HG3 PRO B 56 7.624 -10.068 -4.866 1.00 0.00 H new ATOM 0 HD2 PRO B 56 6.440 -10.927 -2.218 1.00 0.00 H new ATOM 0 HD3 PRO B 56 8.030 -11.268 -2.870 1.00 0.00 H new ATOM 1420 N TYR B 57 6.751 -6.017 -1.603 1.00 0.00 N ATOM 1421 CA TYR B 57 6.015 -5.142 -0.705 1.00 0.00 C ATOM 1422 C TYR B 57 5.441 -3.963 -1.475 1.00 0.00 C ATOM 1423 O TYR B 57 6.180 -3.092 -1.942 1.00 0.00 O ATOM 1424 CB TYR B 57 6.923 -4.636 0.419 1.00 0.00 C ATOM 1425 CG TYR B 57 6.188 -3.869 1.497 1.00 0.00 C ATOM 1426 CD1 TYR B 57 5.990 -2.496 1.398 1.00 0.00 C ATOM 1427 CD2 TYR B 57 5.694 -4.521 2.618 1.00 0.00 C ATOM 1428 CE1 TYR B 57 5.320 -1.799 2.385 1.00 0.00 C ATOM 1429 CE2 TYR B 57 5.024 -3.831 3.608 1.00 0.00 C ATOM 1430 CZ TYR B 57 4.837 -2.470 3.488 1.00 0.00 C ATOM 1431 OH TYR B 57 4.178 -1.779 4.480 1.00 0.00 O ATOM 0 H TYR B 57 7.576 -5.591 -2.026 1.00 0.00 H new ATOM 0 HA TYR B 57 5.198 -5.713 -0.264 1.00 0.00 H new ATOM 0 HB2 TYR B 57 7.432 -5.486 0.873 1.00 0.00 H new ATOM 0 HB3 TYR B 57 7.694 -3.995 -0.009 1.00 0.00 H new ATOM 0 HD1 TYR B 57 6.366 -1.966 0.535 1.00 0.00 H new ATOM 0 HD2 TYR B 57 5.836 -5.587 2.718 1.00 0.00 H new ATOM 0 HE1 TYR B 57 5.175 -0.733 2.293 1.00 0.00 H new ATOM 0 HE2 TYR B 57 4.647 -4.355 4.474 1.00 0.00 H new ATOM 0 HH TYR B 57 3.210 -1.859 4.347 1.00 0.00 H new ATOM 1441 N GLU B 58 4.128 -3.948 -1.615 1.00 0.00 N ATOM 1442 CA GLU B 58 3.444 -2.839 -2.253 1.00 0.00 C ATOM 1443 C GLU B 58 2.349 -2.323 -1.341 1.00 0.00 C ATOM 1444 O GLU B 58 1.645 -3.102 -0.698 1.00 0.00 O ATOM 1445 CB GLU B 58 2.849 -3.254 -3.594 1.00 0.00 C ATOM 1446 CG GLU B 58 3.868 -3.798 -4.572 1.00 0.00 C ATOM 1447 CD GLU B 58 3.251 -4.126 -5.912 1.00 0.00 C ATOM 1448 OE1 GLU B 58 2.711 -3.211 -6.570 1.00 0.00 O ATOM 1449 OE2 GLU B 58 3.307 -5.300 -6.320 1.00 0.00 O1- ATOM 0 H GLU B 58 3.512 -4.695 -1.294 1.00 0.00 H new ATOM 0 HA GLU B 58 4.172 -2.049 -2.437 1.00 0.00 H new ATOM 0 HB2 GLU B 58 2.083 -4.011 -3.423 1.00 0.00 H new ATOM 0 HB3 GLU B 58 2.352 -2.394 -4.042 1.00 0.00 H new ATOM 0 HG2 GLU B 58 4.664 -3.067 -4.709 1.00 0.00 H new ATOM 0 HG3 GLU B 58 4.327 -4.695 -4.155 1.00 0.00 H new ATOM 1456 N GLU B 59 2.214 -1.015 -1.286 1.00 0.00 N ATOM 1457 CA GLU B 59 1.260 -0.381 -0.397 1.00 0.00 C ATOM 1458 C GLU B 59 0.887 0.994 -0.940 1.00 0.00 C ATOM 1459 O GLU B 59 1.728 1.690 -1.507 1.00 0.00 O ATOM 1460 CB GLU B 59 1.873 -0.271 1.005 1.00 0.00 C ATOM 1461 CG GLU B 59 0.881 0.091 2.094 1.00 0.00 C ATOM 1462 CD GLU B 59 1.461 -0.078 3.486 1.00 0.00 C ATOM 1463 OE1 GLU B 59 1.660 -1.237 3.914 1.00 0.00 O ATOM 1464 OE2 GLU B 59 1.714 0.943 4.160 1.00 0.00 O1- ATOM 0 H GLU B 59 2.758 -0.364 -1.852 1.00 0.00 H new ATOM 0 HA GLU B 59 0.352 -0.980 -0.335 1.00 0.00 H new ATOM 0 HB2 GLU B 59 2.343 -1.221 1.259 1.00 0.00 H new ATOM 0 HB3 GLU B 59 2.663 0.480 0.985 1.00 0.00 H new ATOM 0 HG2 GLU B 59 0.560 1.124 1.960 1.00 0.00 H new ATOM 0 HG3 GLU B 59 -0.007 -0.534 1.995 1.00 0.00 H new ATOM 1471 N MET B 60 -0.379 1.368 -0.814 1.00 0.00 N ATOM 1472 CA MET B 60 -0.813 2.688 -1.246 1.00 0.00 C ATOM 1473 C MET B 60 -0.391 3.724 -0.217 1.00 0.00 C ATOM 1474 O MET B 60 -0.979 3.848 0.861 1.00 0.00 O ATOM 1475 CB MET B 60 -2.327 2.717 -1.530 1.00 0.00 C ATOM 1476 CG MET B 60 -3.018 4.040 -1.210 1.00 0.00 C ATOM 1477 SD MET B 60 -4.625 4.208 -2.015 1.00 0.00 S ATOM 1478 CE MET B 60 -5.548 2.867 -1.264 1.00 0.00 C ATOM 0 H MET B 60 -1.116 0.783 -0.421 1.00 0.00 H new ATOM 0 HA MET B 60 -0.327 2.935 -2.190 1.00 0.00 H new ATOM 0 HB2 MET B 60 -2.488 2.485 -2.583 1.00 0.00 H new ATOM 0 HB3 MET B 60 -2.805 1.926 -0.953 1.00 0.00 H new ATOM 0 HG2 MET B 60 -3.148 4.124 -0.131 1.00 0.00 H new ATOM 0 HG3 MET B 60 -2.375 4.864 -1.519 1.00 0.00 H new ATOM 0 HE1 MET B 60 -6.575 2.884 -1.628 1.00 0.00 H new ATOM 0 HE2 MET B 60 -5.085 1.915 -1.526 1.00 0.00 H new ATOM 0 HE3 MET B 60 -5.545 2.985 -0.180 1.00 0.00 H new ATOM 1488 N ILE B 61 0.665 4.438 -0.559 1.00 0.00 N ATOM 1489 CA ILE B 61 1.265 5.416 0.317 1.00 0.00 C ATOM 1490 C ILE B 61 0.988 6.813 -0.212 1.00 0.00 C ATOM 1491 O ILE B 61 1.439 7.180 -1.290 1.00 0.00 O ATOM 1492 CB ILE B 61 2.788 5.192 0.430 1.00 0.00 C ATOM 1493 CG1 ILE B 61 3.079 3.791 0.977 1.00 0.00 C ATOM 1494 CG2 ILE B 61 3.427 6.251 1.311 1.00 0.00 C ATOM 1495 CD1 ILE B 61 2.494 3.534 2.346 1.00 0.00 C ATOM 0 H ILE B 61 1.132 4.352 -1.462 1.00 0.00 H new ATOM 0 HA ILE B 61 0.828 5.307 1.309 1.00 0.00 H new ATOM 0 HB ILE B 61 3.222 5.275 -0.567 1.00 0.00 H new ATOM 0 HG12 ILE B 61 2.686 3.051 0.280 1.00 0.00 H new ATOM 0 HG13 ILE B 61 4.158 3.646 1.021 1.00 0.00 H new ATOM 0 HG21 ILE B 61 4.500 6.072 1.375 1.00 0.00 H new ATOM 0 HG22 ILE B 61 3.249 7.237 0.882 1.00 0.00 H new ATOM 0 HG23 ILE B 61 2.991 6.205 2.309 1.00 0.00 H new ATOM 0 HD11 ILE B 61 2.743 2.522 2.664 1.00 0.00 H new ATOM 0 HD12 ILE B 61 2.906 4.250 3.058 1.00 0.00 H new ATOM 0 HD13 ILE B 61 1.410 3.645 2.305 1.00 0.00 H new ATOM 1507 N PRO B 62 0.208 7.594 0.528 1.00 0.00 N ATOM 1508 CA PRO B 62 -0.152 8.956 0.130 1.00 0.00 C ATOM 1509 C PRO B 62 1.066 9.856 -0.058 1.00 0.00 C ATOM 1510 O PRO B 62 2.121 9.626 0.529 1.00 0.00 O ATOM 1511 CB PRO B 62 -0.985 9.458 1.303 1.00 0.00 C ATOM 1512 CG PRO B 62 -1.465 8.235 2.000 1.00 0.00 C ATOM 1513 CD PRO B 62 -0.392 7.212 1.814 1.00 0.00 C ATOM 0 HA PRO B 62 -0.671 8.968 -0.828 1.00 0.00 H new ATOM 0 HB2 PRO B 62 -0.389 10.081 1.970 1.00 0.00 H new ATOM 0 HB3 PRO B 62 -1.821 10.067 0.959 1.00 0.00 H new ATOM 0 HG2 PRO B 62 -1.639 8.431 3.058 1.00 0.00 H new ATOM 0 HG3 PRO B 62 -2.410 7.891 1.580 1.00 0.00 H new ATOM 0 HD2 PRO B 62 0.337 7.240 2.624 1.00 0.00 H new ATOM 0 HD3 PRO B 62 -0.798 6.201 1.786 1.00 0.00 H new ATOM 1521 N LYS B 63 0.896 10.898 -0.867 1.00 0.00 N ATOM 1522 CA LYS B 63 1.961 11.859 -1.122 1.00 0.00 C ATOM 1523 C LYS B 63 2.241 12.649 0.156 1.00 0.00 C ATOM 1524 O LYS B 63 3.343 13.148 0.372 1.00 0.00 O ATOM 1525 CB LYS B 63 1.543 12.806 -2.259 1.00 0.00 C ATOM 1526 CG LYS B 63 2.689 13.297 -3.148 1.00 0.00 C ATOM 1527 CD LYS B 63 3.693 14.169 -2.401 1.00 0.00 C ATOM 1528 CE LYS B 63 3.076 15.478 -1.924 1.00 0.00 C ATOM 1529 NZ LYS B 63 2.686 16.362 -3.055 1.00 0.00 N1+ ATOM 0 H LYS B 63 0.025 11.098 -1.359 1.00 0.00 H new ATOM 0 HA LYS B 63 2.868 11.335 -1.423 1.00 0.00 H new ATOM 0 HB2 LYS B 63 0.811 12.296 -2.885 1.00 0.00 H new ATOM 0 HB3 LYS B 63 1.044 13.672 -1.825 1.00 0.00 H new ATOM 0 HG2 LYS B 63 3.208 12.436 -3.571 1.00 0.00 H new ATOM 0 HG3 LYS B 63 2.276 13.862 -3.984 1.00 0.00 H new ATOM 0 HD2 LYS B 63 4.082 13.619 -1.544 1.00 0.00 H new ATOM 0 HD3 LYS B 63 4.540 14.385 -3.053 1.00 0.00 H new ATOM 0 HE2 LYS B 63 2.198 15.263 -1.314 1.00 0.00 H new ATOM 0 HE3 LYS B 63 3.787 16.001 -1.285 1.00 0.00 H new ATOM 0 HZ1 LYS B 63 2.414 17.296 -2.688 1.00 0.00 H new ATOM 0 HZ2 LYS B 63 3.490 16.467 -3.707 1.00 0.00 H new ATOM 0 HZ3 LYS B 63 1.881 15.942 -3.562 1.00 0.00 H new ATOM 1543 N TRP B 64 1.230 12.741 1.012 1.00 0.00 N ATOM 1544 CA TRP B 64 1.366 13.444 2.285 1.00 0.00 C ATOM 1545 C TRP B 64 1.886 12.505 3.371 1.00 0.00 C ATOM 1546 O TRP B 64 1.956 12.863 4.547 1.00 0.00 O ATOM 1547 CB TRP B 64 0.046 14.103 2.709 1.00 0.00 C ATOM 1548 CG TRP B 64 -1.185 13.317 2.366 1.00 0.00 C ATOM 1549 CD1 TRP B 64 -1.980 13.493 1.272 1.00 0.00 C ATOM 1550 CD2 TRP B 64 -1.767 12.243 3.117 1.00 0.00 C ATOM 1551 NE1 TRP B 64 -3.017 12.596 1.292 1.00 0.00 N ATOM 1552 CE2 TRP B 64 -2.911 11.819 2.413 1.00 0.00 C ATOM 1553 CE3 TRP B 64 -1.432 11.594 4.310 1.00 0.00 C ATOM 1554 CZ2 TRP B 64 -3.720 10.779 2.865 1.00 0.00 C ATOM 1555 CZ3 TRP B 64 -2.235 10.561 4.754 1.00 0.00 C ATOM 1556 CH2 TRP B 64 -3.366 10.162 4.034 1.00 0.00 C ATOM 0 H TRP B 64 0.307 12.338 0.849 1.00 0.00 H new ATOM 0 HA TRP B 64 2.097 14.240 2.147 1.00 0.00 H new ATOM 0 HB2 TRP B 64 0.067 14.267 3.786 1.00 0.00 H new ATOM 0 HB3 TRP B 64 -0.023 15.084 2.238 1.00 0.00 H new ATOM 0 HD1 TRP B 64 -1.817 14.232 0.501 1.00 0.00 H new ATOM 0 HE1 TRP B 64 -3.749 12.520 0.586 1.00 0.00 H new ATOM 0 HE3 TRP B 64 -0.561 11.895 4.874 1.00 0.00 H new ATOM 0 HZ2 TRP B 64 -4.595 10.471 2.313 1.00 0.00 H new ATOM 0 HZ3 TRP B 64 -1.985 10.052 5.673 1.00 0.00 H new ATOM 0 HH2 TRP B 64 -3.972 9.350 4.408 1.00 0.00 H new ATOM 1567 N ARG B 65 2.239 11.301 2.960 1.00 0.00 N ATOM 1568 CA ARG B 65 2.941 10.363 3.817 1.00 0.00 C ATOM 1569 C ARG B 65 4.423 10.438 3.487 1.00 0.00 C ATOM 1570 O ARG B 65 4.790 10.683 2.338 1.00 0.00 O ATOM 1571 CB ARG B 65 2.395 8.945 3.608 1.00 0.00 C ATOM 1572 CG ARG B 65 3.188 7.852 4.314 1.00 0.00 C ATOM 1573 CD ARG B 65 3.183 8.025 5.822 1.00 0.00 C ATOM 1574 NE ARG B 65 4.014 7.025 6.487 1.00 0.00 N ATOM 1575 CZ ARG B 65 4.848 7.295 7.492 1.00 0.00 C ATOM 1576 NH1 ARG B 65 4.931 8.526 7.978 1.00 0.00 N1+ ATOM 1577 NH2 ARG B 65 5.582 6.329 8.022 1.00 0.00 N ATOM 0 H ARG B 65 2.047 10.946 2.023 1.00 0.00 H new ATOM 0 HA ARG B 65 2.791 10.618 4.866 1.00 0.00 H new ATOM 0 HB2 ARG B 65 1.363 8.911 3.958 1.00 0.00 H new ATOM 0 HB3 ARG B 65 2.376 8.730 2.540 1.00 0.00 H new ATOM 0 HG2 ARG B 65 2.768 6.879 4.060 1.00 0.00 H new ATOM 0 HG3 ARG B 65 4.216 7.860 3.952 1.00 0.00 H new ATOM 0 HD2 ARG B 65 3.543 9.022 6.074 1.00 0.00 H new ATOM 0 HD3 ARG B 65 2.161 7.952 6.193 1.00 0.00 H new ATOM 0 HE ARG B 65 3.953 6.060 6.163 1.00 0.00 H new ATOM 0 HH11 ARG B 65 4.356 9.270 7.583 1.00 0.00 H new ATOM 0 HH12 ARG B 65 5.570 8.729 8.747 1.00 0.00 H new ATOM 0 HH21 ARG B 65 5.510 5.378 7.662 1.00 0.00 H new ATOM 0 HH22 ARG B 65 6.220 6.536 8.791 1.00 0.00 H new ATOM 1591 N GLN B 66 5.266 10.248 4.490 1.00 0.00 N ATOM 1592 CA GLN B 66 6.703 10.368 4.306 1.00 0.00 C ATOM 1593 C GLN B 66 7.238 9.248 3.430 1.00 0.00 C ATOM 1594 O GLN B 66 7.529 8.151 3.908 1.00 0.00 O ATOM 1595 CB GLN B 66 7.420 10.342 5.648 1.00 0.00 C ATOM 1596 CG GLN B 66 7.006 11.447 6.596 1.00 0.00 C ATOM 1597 CD GLN B 66 7.313 12.831 6.051 1.00 0.00 C ATOM 1598 OE1 GLN B 66 8.394 13.371 6.273 1.00 0.00 O ATOM 1599 NE2 GLN B 66 6.362 13.417 5.340 1.00 0.00 N ATOM 0 H GLN B 66 4.979 10.010 5.440 1.00 0.00 H new ATOM 0 HA GLN B 66 6.891 11.322 3.814 1.00 0.00 H new ATOM 0 HB2 GLN B 66 7.236 9.380 6.127 1.00 0.00 H new ATOM 0 HB3 GLN B 66 8.494 10.411 5.475 1.00 0.00 H new ATOM 0 HG2 GLN B 66 5.937 11.368 6.795 1.00 0.00 H new ATOM 0 HG3 GLN B 66 7.519 11.314 7.549 1.00 0.00 H new ATOM 0 HE21 GLN B 66 5.477 12.936 5.177 1.00 0.00 H new ATOM 0 HE22 GLN B 66 6.514 14.349 4.955 1.00 0.00 H new ATOM 1608 N LEU B 67 7.348 9.537 2.150 1.00 0.00 N ATOM 1609 CA LEU B 67 7.923 8.611 1.199 1.00 0.00 C ATOM 1610 C LEU B 67 9.437 8.655 1.305 1.00 0.00 C ATOM 1611 O LEU B 67 10.028 9.733 1.421 1.00 0.00 O ATOM 1612 CB LEU B 67 7.466 8.976 -0.211 1.00 0.00 C ATOM 1613 CG LEU B 67 5.969 8.800 -0.459 1.00 0.00 C ATOM 1614 CD1 LEU B 67 5.449 9.892 -1.380 1.00 0.00 C ATOM 1615 CD2 LEU B 67 5.694 7.431 -1.057 1.00 0.00 C ATOM 0 H LEU B 67 7.041 10.420 1.741 1.00 0.00 H new ATOM 0 HA LEU B 67 7.588 7.597 1.418 1.00 0.00 H new ATOM 0 HB2 LEU B 67 7.734 10.014 -0.409 1.00 0.00 H new ATOM 0 HB3 LEU B 67 8.014 8.363 -0.927 1.00 0.00 H new ATOM 0 HG LEU B 67 5.448 8.877 0.495 1.00 0.00 H new ATOM 0 HD11 LEU B 67 4.381 9.750 -1.545 1.00 0.00 H new ATOM 0 HD12 LEU B 67 5.619 10.866 -0.922 1.00 0.00 H new ATOM 0 HD13 LEU B 67 5.973 9.843 -2.334 1.00 0.00 H new ATOM 0 HD21 LEU B 67 4.624 7.318 -1.229 1.00 0.00 H new ATOM 0 HD22 LEU B 67 6.226 7.334 -2.003 1.00 0.00 H new ATOM 0 HD23 LEU B 67 6.035 6.658 -0.368 1.00 0.00 H new ATOM 1627 N ASN B 68 10.059 7.489 1.279 1.00 0.00 N ATOM 1628 CA ASN B 68 11.496 7.390 1.469 1.00 0.00 C ATOM 1629 C ASN B 68 12.255 8.103 0.343 1.00 0.00 C ATOM 1630 O ASN B 68 13.054 8.996 0.613 1.00 0.00 O ATOM 1631 CB ASN B 68 11.910 5.916 1.627 1.00 0.00 C ATOM 1632 CG ASN B 68 11.484 5.033 0.470 1.00 0.00 C ATOM 1633 OD1 ASN B 68 10.328 4.630 0.377 1.00 0.00 O ATOM 1634 ND2 ASN B 68 12.422 4.692 -0.395 1.00 0.00 N ATOM 0 H ASN B 68 9.590 6.596 1.128 1.00 0.00 H new ATOM 0 HA ASN B 68 11.768 7.904 2.391 1.00 0.00 H new ATOM 0 HB2 ASN B 68 12.993 5.862 1.733 1.00 0.00 H new ATOM 0 HB3 ASN B 68 11.479 5.524 2.549 1.00 0.00 H new ATOM 0 HD21 ASN B 68 12.197 4.073 -1.174 1.00 0.00 H new ATOM 0 HD22 ASN B 68 13.372 5.048 -0.284 1.00 0.00 H new ATOM 1641 N VAL B 69 11.981 7.740 -0.909 1.00 0.00 N ATOM 1642 CA VAL B 69 12.569 8.421 -2.070 1.00 0.00 C ATOM 1643 C VAL B 69 11.649 8.299 -3.277 1.00 0.00 C ATOM 1644 O VAL B 69 10.536 7.786 -3.160 1.00 0.00 O ATOM 1645 CB VAL B 69 13.976 7.898 -2.464 1.00 0.00 C ATOM 1646 CG1 VAL B 69 15.040 8.351 -1.478 1.00 0.00 C ATOM 1647 CG2 VAL B 69 13.974 6.388 -2.586 1.00 0.00 C ATOM 0 H VAL B 69 11.352 6.974 -1.150 1.00 0.00 H new ATOM 0 HA VAL B 69 12.685 9.462 -1.767 1.00 0.00 H new ATOM 0 HB VAL B 69 14.222 8.326 -3.436 1.00 0.00 H new ATOM 0 HG11 VAL B 69 16.011 7.965 -1.788 1.00 0.00 H new ATOM 0 HG12 VAL B 69 15.073 9.440 -1.454 1.00 0.00 H new ATOM 0 HG13 VAL B 69 14.800 7.973 -0.484 1.00 0.00 H new ATOM 0 HG21 VAL B 69 14.971 6.044 -2.863 1.00 0.00 H new ATOM 0 HG22 VAL B 69 13.690 5.946 -1.631 1.00 0.00 H new ATOM 0 HG23 VAL B 69 13.260 6.086 -3.352 1.00 0.00 H new ATOM 1657 N PHE B 70 12.107 8.788 -4.423 1.00 0.00 N ATOM 1658 CA PHE B 70 11.324 8.737 -5.654 1.00 0.00 C ATOM 1659 C PHE B 70 11.358 7.342 -6.279 1.00 0.00 C ATOM 1660 O PHE B 70 11.959 6.420 -5.733 1.00 0.00 O ATOM 1661 CB PHE B 70 11.826 9.778 -6.656 1.00 0.00 C ATOM 1662 CG PHE B 70 11.441 11.187 -6.302 1.00 0.00 C ATOM 1663 CD1 PHE B 70 12.043 11.845 -5.241 1.00 0.00 C ATOM 1664 CD2 PHE B 70 10.474 11.854 -7.036 1.00 0.00 C ATOM 1665 CE1 PHE B 70 11.687 13.139 -4.919 1.00 0.00 C ATOM 1666 CE2 PHE B 70 10.115 13.149 -6.718 1.00 0.00 C ATOM 1667 CZ PHE B 70 10.722 13.792 -5.659 1.00 0.00 C ATOM 0 H PHE B 70 13.022 9.227 -4.527 1.00 0.00 H new ATOM 0 HA PHE B 70 10.290 8.967 -5.397 1.00 0.00 H new ATOM 0 HB2 PHE B 70 12.912 9.713 -6.722 1.00 0.00 H new ATOM 0 HB3 PHE B 70 11.432 9.539 -7.644 1.00 0.00 H new ATOM 0 HD1 PHE B 70 12.800 11.339 -4.659 1.00 0.00 H new ATOM 0 HD2 PHE B 70 9.996 11.356 -7.866 1.00 0.00 H new ATOM 0 HE1 PHE B 70 12.163 13.640 -4.089 1.00 0.00 H new ATOM 0 HE2 PHE B 70 9.359 13.658 -7.298 1.00 0.00 H new ATOM 0 HZ PHE B 70 10.443 14.805 -5.409 1.00 0.00 H new ATOM 1677 N GLU B 71 10.684 7.189 -7.412 1.00 0.00 N ATOM 1678 CA GLU B 71 10.547 5.888 -8.052 1.00 0.00 C ATOM 1679 C GLU B 71 11.790 5.511 -8.859 1.00 0.00 C ATOM 1680 O GLU B 71 12.524 6.374 -9.347 1.00 0.00 O ATOM 1681 CB GLU B 71 9.305 5.864 -8.939 1.00 0.00 C ATOM 1682 CG GLU B 71 9.334 6.885 -10.068 1.00 0.00 C ATOM 1683 CD GLU B 71 7.992 7.039 -10.753 1.00 0.00 C ATOM 1684 OE1 GLU B 71 7.715 6.285 -11.709 1.00 0.00 O1- ATOM 1685 OE2 GLU B 71 7.207 7.919 -10.340 1.00 0.00 O ATOM 0 H GLU B 71 10.223 7.952 -7.907 1.00 0.00 H new ATOM 0 HA GLU B 71 10.437 5.144 -7.263 1.00 0.00 H new ATOM 0 HB2 GLU B 71 9.195 4.867 -9.366 1.00 0.00 H new ATOM 0 HB3 GLU B 71 8.426 6.045 -8.321 1.00 0.00 H new ATOM 0 HG2 GLU B 71 9.647 7.851 -9.671 1.00 0.00 H new ATOM 0 HG3 GLU B 71 10.080 6.586 -10.804 1.00 0.00 H new ATOM 1692 N GLY B 72 12.023 4.206 -8.966 1.00 0.00 N ATOM 1693 CA GLY B 72 13.169 3.685 -9.684 1.00 0.00 C ATOM 1694 C GLY B 72 14.450 3.860 -8.899 1.00 0.00 C ATOM 1695 O GLY B 72 15.545 3.630 -9.411 1.00 0.00 O ATOM 0 H GLY B 72 11.424 3.488 -8.558 1.00 0.00 H new ATOM 0 HA2 GLY B 72 13.015 2.627 -9.897 1.00 0.00 H new ATOM 0 HA3 GLY B 72 13.259 4.193 -10.644 1.00 0.00 H new ATOM 1699 N GLU B 73 14.306 4.254 -7.647 1.00 0.00 N ATOM 1700 CA GLU B 73 15.439 4.492 -6.779 1.00 0.00 C ATOM 1701 C GLU B 73 15.828 3.219 -6.038 1.00 0.00 C ATOM 1702 O GLU B 73 14.971 2.479 -5.552 1.00 0.00 O ATOM 1703 CB GLU B 73 15.091 5.595 -5.788 1.00 0.00 C ATOM 1704 CG GLU B 73 14.916 6.961 -6.430 1.00 0.00 C ATOM 1705 CD GLU B 73 16.227 7.594 -6.841 1.00 0.00 C ATOM 1706 OE1 GLU B 73 16.689 7.346 -7.972 1.00 0.00 O ATOM 1707 OE2 GLU B 73 16.795 8.357 -6.036 1.00 0.00 O1- ATOM 0 H GLU B 73 13.401 4.417 -7.206 1.00 0.00 H new ATOM 0 HA GLU B 73 16.291 4.803 -7.384 1.00 0.00 H new ATOM 0 HB2 GLU B 73 14.171 5.327 -5.268 1.00 0.00 H new ATOM 0 HB3 GLU B 73 15.877 5.655 -5.035 1.00 0.00 H new ATOM 0 HG2 GLU B 73 14.275 6.865 -7.306 1.00 0.00 H new ATOM 0 HG3 GLU B 73 14.403 7.622 -5.731 1.00 0.00 H new ATOM 1714 N ARG B 74 17.121 2.970 -5.969 1.00 0.00 N ATOM 1715 CA ARG B 74 17.644 1.803 -5.281 1.00 0.00 C ATOM 1716 C ARG B 74 17.896 2.114 -3.811 1.00 0.00 C ATOM 1717 O ARG B 74 18.709 2.976 -3.475 1.00 0.00 O ATOM 1718 CB ARG B 74 18.929 1.331 -5.960 1.00 0.00 C ATOM 1719 CG ARG B 74 19.710 0.299 -5.165 1.00 0.00 C ATOM 1720 CD ARG B 74 18.991 -1.037 -5.111 1.00 0.00 C ATOM 1721 NE ARG B 74 19.657 -1.966 -4.205 1.00 0.00 N ATOM 1722 CZ ARG B 74 20.521 -2.904 -4.590 1.00 0.00 C ATOM 1723 NH1 ARG B 74 20.850 -3.028 -5.870 1.00 0.00 N1+ ATOM 1724 NH2 ARG B 74 21.071 -3.705 -3.684 1.00 0.00 N ATOM 0 H ARG B 74 17.836 3.566 -6.385 1.00 0.00 H new ATOM 0 HA ARG B 74 16.905 1.004 -5.334 1.00 0.00 H new ATOM 0 HB2 ARG B 74 18.679 0.910 -6.934 1.00 0.00 H new ATOM 0 HB3 ARG B 74 19.569 2.194 -6.141 1.00 0.00 H new ATOM 0 HG2 ARG B 74 20.694 0.164 -5.614 1.00 0.00 H new ATOM 0 HG3 ARG B 74 19.870 0.667 -4.151 1.00 0.00 H new ATOM 0 HD2 ARG B 74 17.962 -0.885 -4.786 1.00 0.00 H new ATOM 0 HD3 ARG B 74 18.949 -1.469 -6.111 1.00 0.00 H new ATOM 0 HE ARG B 74 19.447 -1.892 -3.210 1.00 0.00 H new ATOM 0 HH11 ARG B 74 20.441 -2.403 -6.565 1.00 0.00 H new ATOM 0 HH12 ARG B 74 21.512 -3.748 -6.159 1.00 0.00 H new ATOM 0 HH21 ARG B 74 20.831 -3.600 -2.698 1.00 0.00 H new ATOM 0 HH22 ARG B 74 21.733 -4.425 -3.974 1.00 0.00 H new ATOM 1738 N VAL B 75 17.189 1.409 -2.945 1.00 0.00 N ATOM 1739 CA VAL B 75 17.304 1.608 -1.507 1.00 0.00 C ATOM 1740 C VAL B 75 17.368 0.272 -0.780 1.00 0.00 C ATOM 1741 O VAL B 75 17.059 -0.769 -1.358 1.00 0.00 O ATOM 1742 CB VAL B 75 16.113 2.420 -0.950 1.00 0.00 C ATOM 1743 CG1 VAL B 75 16.164 3.858 -1.436 1.00 0.00 C ATOM 1744 CG2 VAL B 75 14.792 1.770 -1.336 1.00 0.00 C ATOM 0 H VAL B 75 16.522 0.686 -3.215 1.00 0.00 H new ATOM 0 HA VAL B 75 18.225 2.165 -1.337 1.00 0.00 H new ATOM 0 HB VAL B 75 16.187 2.427 0.137 1.00 0.00 H new ATOM 0 HG11 VAL B 75 15.316 4.409 -1.031 1.00 0.00 H new ATOM 0 HG12 VAL B 75 17.092 4.322 -1.102 1.00 0.00 H new ATOM 0 HG13 VAL B 75 16.121 3.876 -2.525 1.00 0.00 H new ATOM 0 HG21 VAL B 75 13.966 2.357 -0.934 1.00 0.00 H new ATOM 0 HG22 VAL B 75 14.711 1.727 -2.422 1.00 0.00 H new ATOM 0 HG23 VAL B 75 14.751 0.760 -0.929 1.00 0.00 H new ATOM 1754 N GLU B 76 17.785 0.307 0.476 1.00 0.00 N ATOM 1755 CA GLU B 76 17.804 -0.882 1.316 1.00 0.00 C ATOM 1756 C GLU B 76 16.786 -0.713 2.440 1.00 0.00 C ATOM 1757 O GLU B 76 16.371 0.407 2.740 1.00 0.00 O ATOM 1758 CB GLU B 76 19.212 -1.119 1.886 1.00 0.00 C ATOM 1759 CG GLU B 76 19.374 -2.469 2.572 1.00 0.00 C ATOM 1760 CD GLU B 76 20.805 -2.771 2.965 1.00 0.00 C ATOM 1761 OE1 GLU B 76 21.230 -2.344 4.058 1.00 0.00 O1- ATOM 1762 OE2 GLU B 76 21.510 -3.457 2.193 1.00 0.00 O ATOM 0 H GLU B 76 18.117 1.153 0.940 1.00 0.00 H new ATOM 0 HA GLU B 76 17.538 -1.754 0.718 1.00 0.00 H new ATOM 0 HB2 GLU B 76 19.939 -1.042 1.078 1.00 0.00 H new ATOM 0 HB3 GLU B 76 19.444 -0.328 2.600 1.00 0.00 H new ATOM 0 HG2 GLU B 76 18.746 -2.494 3.463 1.00 0.00 H new ATOM 0 HG3 GLU B 76 19.014 -3.253 1.906 1.00 0.00 H new ATOM 1769 N ARG B 77 16.379 -1.826 3.044 1.00 0.00 N ATOM 1770 CA ARG B 77 15.389 -1.810 4.113 1.00 0.00 C ATOM 1771 C ARG B 77 15.814 -0.896 5.256 1.00 0.00 C ATOM 1772 O ARG B 77 16.826 -1.136 5.913 1.00 0.00 O ATOM 1773 CB ARG B 77 15.159 -3.222 4.652 1.00 0.00 C ATOM 1774 CG ARG B 77 14.323 -3.251 5.925 1.00 0.00 C ATOM 1775 CD ARG B 77 14.217 -4.653 6.495 1.00 0.00 C ATOM 1776 NE ARG B 77 13.372 -5.513 5.675 1.00 0.00 N ATOM 1777 CZ ARG B 77 13.589 -6.812 5.479 1.00 0.00 C ATOM 1778 NH1 ARG B 77 14.652 -7.403 6.010 1.00 0.00 N1+ ATOM 1779 NH2 ARG B 77 12.738 -7.518 4.747 1.00 0.00 N ATOM 0 H ARG B 77 16.724 -2.756 2.808 1.00 0.00 H new ATOM 0 HA ARG B 77 14.461 -1.425 3.689 1.00 0.00 H new ATOM 0 HB2 ARG B 77 14.664 -3.820 3.887 1.00 0.00 H new ATOM 0 HB3 ARG B 77 16.123 -3.690 4.848 1.00 0.00 H new ATOM 0 HG2 ARG B 77 14.768 -2.589 6.668 1.00 0.00 H new ATOM 0 HG3 ARG B 77 13.325 -2.868 5.714 1.00 0.00 H new ATOM 0 HD2 ARG B 77 15.213 -5.090 6.572 1.00 0.00 H new ATOM 0 HD3 ARG B 77 13.812 -4.604 7.506 1.00 0.00 H new ATOM 0 HE ARG B 77 12.561 -5.092 5.222 1.00 0.00 H new ATOM 0 HH11 ARG B 77 15.309 -6.862 6.572 1.00 0.00 H new ATOM 0 HH12 ARG B 77 14.812 -8.398 5.856 1.00 0.00 H new ATOM 0 HH21 ARG B 77 11.921 -7.066 4.337 1.00 0.00 H new ATOM 0 HH22 ARG B 77 12.900 -8.513 4.594 1.00 0.00 H new ATOM 1793 N GLY B 78 15.045 0.158 5.468 1.00 0.00 N ATOM 1794 CA GLY B 78 15.269 1.030 6.601 1.00 0.00 C ATOM 1795 C GLY B 78 16.233 2.149 6.299 1.00 0.00 C ATOM 1796 O GLY B 78 15.960 3.312 6.601 1.00 0.00 O ATOM 0 H GLY B 78 14.263 0.428 4.871 1.00 0.00 H new ATOM 0 HA2 GLY B 78 14.317 1.454 6.921 1.00 0.00 H new ATOM 0 HA3 GLY B 78 15.652 0.442 7.435 1.00 0.00 H new ATOM 1800 N ASP B 79 17.348 1.808 5.680 1.00 0.00 N ATOM 1801 CA ASP B 79 18.378 2.792 5.402 1.00 0.00 C ATOM 1802 C ASP B 79 17.987 3.645 4.208 1.00 0.00 C ATOM 1803 O ASP B 79 17.991 3.179 3.066 1.00 0.00 O ATOM 1804 CB ASP B 79 19.729 2.117 5.152 1.00 0.00 C ATOM 1805 CG ASP B 79 20.365 1.585 6.422 1.00 0.00 C ATOM 1806 OD1 ASP B 79 20.978 2.383 7.165 1.00 0.00 O ATOM 1807 OD2 ASP B 79 20.271 0.366 6.677 1.00 0.00 O1- ATOM 0 H ASP B 79 17.563 0.863 5.362 1.00 0.00 H new ATOM 0 HA ASP B 79 18.476 3.435 6.277 1.00 0.00 H new ATOM 0 HB2 ASP B 79 19.595 1.296 4.447 1.00 0.00 H new ATOM 0 HB3 ASP B 79 20.406 2.832 4.684 1.00 0.00 H new ATOM 1812 N VAL B 80 17.670 4.901 4.487 1.00 0.00 N ATOM 1813 CA VAL B 80 17.288 5.858 3.461 1.00 0.00 C ATOM 1814 C VAL B 80 16.988 7.222 4.094 1.00 0.00 C ATOM 1815 O VAL B 80 17.704 8.192 3.847 1.00 0.00 O ATOM 1816 CB VAL B 80 16.089 5.357 2.605 1.00 0.00 C ATOM 1817 CG1 VAL B 80 14.901 4.936 3.463 1.00 0.00 C ATOM 1818 CG2 VAL B 80 15.677 6.413 1.594 1.00 0.00 C ATOM 0 H VAL B 80 17.671 5.285 5.432 1.00 0.00 H new ATOM 0 HA VAL B 80 18.132 5.967 2.779 1.00 0.00 H new ATOM 0 HB VAL B 80 16.424 4.469 2.069 1.00 0.00 H new ATOM 0 HG11 VAL B 80 14.090 4.594 2.819 1.00 0.00 H new ATOM 0 HG12 VAL B 80 15.201 4.127 4.129 1.00 0.00 H new ATOM 0 HG13 VAL B 80 14.561 5.785 4.055 1.00 0.00 H new ATOM 0 HG21 VAL B 80 14.837 6.045 1.005 1.00 0.00 H new ATOM 0 HG22 VAL B 80 15.382 7.322 2.118 1.00 0.00 H new ATOM 0 HG23 VAL B 80 16.516 6.631 0.933 1.00 0.00 H new ATOM 1828 N ILE B 81 15.962 7.293 4.938 1.00 0.00 N ATOM 1829 CA ILE B 81 15.621 8.543 5.603 1.00 0.00 C ATOM 1830 C ILE B 81 15.688 8.387 7.119 1.00 0.00 C ATOM 1831 O ILE B 81 16.351 9.167 7.803 1.00 0.00 O ATOM 1832 CB ILE B 81 14.208 9.039 5.220 1.00 0.00 C ATOM 1833 CG1 ILE B 81 14.060 9.191 3.704 1.00 0.00 C ATOM 1834 CG2 ILE B 81 13.904 10.359 5.916 1.00 0.00 C ATOM 1835 CD1 ILE B 81 15.036 10.166 3.080 1.00 0.00 C ATOM 0 H ILE B 81 15.358 6.506 5.175 1.00 0.00 H new ATOM 0 HA ILE B 81 16.353 9.279 5.270 1.00 0.00 H new ATOM 0 HB ILE B 81 13.490 8.289 5.552 1.00 0.00 H new ATOM 0 HG12 ILE B 81 14.191 8.215 3.238 1.00 0.00 H new ATOM 0 HG13 ILE B 81 13.044 9.517 3.480 1.00 0.00 H new ATOM 0 HG21 ILE B 81 12.906 10.696 5.637 1.00 0.00 H new ATOM 0 HG22 ILE B 81 13.951 10.220 6.996 1.00 0.00 H new ATOM 0 HG23 ILE B 81 14.637 11.107 5.614 1.00 0.00 H new ATOM 0 HD11 ILE B 81 14.864 10.215 2.005 1.00 0.00 H new ATOM 0 HD12 ILE B 81 14.892 11.155 3.516 1.00 0.00 H new ATOM 0 HD13 ILE B 81 16.056 9.831 3.270 1.00 0.00 H new ATOM 1847 N SER B 82 15.015 7.365 7.639 1.00 0.00 N ATOM 1848 CA SER B 82 14.981 7.126 9.075 1.00 0.00 C ATOM 1849 C SER B 82 14.345 5.777 9.381 1.00 0.00 C ATOM 1850 O SER B 82 13.175 5.540 9.074 1.00 0.00 O ATOM 1851 CB SER B 82 14.195 8.236 9.776 1.00 0.00 C ATOM 1852 OG SER B 82 14.315 8.151 11.187 1.00 0.00 O ATOM 0 H SER B 82 14.486 6.690 7.086 1.00 0.00 H new ATOM 0 HA SER B 82 16.007 7.122 9.444 1.00 0.00 H new ATOM 0 HB2 SER B 82 14.556 9.207 9.438 1.00 0.00 H new ATOM 0 HB3 SER B 82 13.144 8.171 9.495 1.00 0.00 H new ATOM 0 HG SER B 82 13.803 8.875 11.603 1.00 0.00 H new ATOM 1858 N ASP B 83 15.123 4.901 9.986 1.00 0.00 N ATOM 1859 CA ASP B 83 14.630 3.600 10.403 1.00 0.00 C ATOM 1860 C ASP B 83 14.633 3.520 11.923 1.00 0.00 C ATOM 1861 O ASP B 83 15.540 4.032 12.578 1.00 0.00 O ATOM 1862 CB ASP B 83 15.477 2.468 9.807 1.00 0.00 C ATOM 1863 CG ASP B 83 16.858 2.357 10.425 1.00 0.00 C ATOM 1864 OD1 ASP B 83 17.683 3.276 10.231 1.00 0.00 O1- ATOM 1865 OD2 ASP B 83 17.127 1.347 11.110 1.00 0.00 O ATOM 0 H ASP B 83 16.106 5.067 10.202 1.00 0.00 H new ATOM 0 HA ASP B 83 13.611 3.480 10.035 1.00 0.00 H new ATOM 0 HB2 ASP B 83 14.951 1.523 9.940 1.00 0.00 H new ATOM 0 HB3 ASP B 83 15.580 2.628 8.734 1.00 0.00 H new ATOM 1870 N GLY B 84 13.607 2.904 12.474 1.00 0.00 N ATOM 1871 CA GLY B 84 13.480 2.806 13.911 1.00 0.00 C ATOM 1872 C GLY B 84 12.187 2.137 14.303 1.00 0.00 C ATOM 1873 O GLY B 84 11.225 2.204 13.511 1.00 0.00 O ATOM 1874 OXT GLY B 84 12.119 1.543 15.398 1.00 0.00 O ATOM 0 H GLY B 84 12.851 2.465 11.948 1.00 0.00 H new ATOM 0 HA2 GLY B 84 14.321 2.242 14.315 1.00 0.00 H new ATOM 0 HA3 GLY B 84 13.524 3.802 14.351 1.00 0.00 H new