USER MOD reduce.3.24.130724 H: found=0, std=0, add=952, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 954 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 74 SER OG : rot 11:sc= 1.24 USER MOD Set 1.2: A 85 HIS : no HD1:sc= -0.123 K(o=1.5,f=0.32) USER MOD Set 1.3: A 87 HIS : no HE2:sc= 0.421 K(o=1.5,f=-1.8!) USER MOD Single : A 7 LYS NZ :NH3+ 167:sc= -0.0271 (180deg=-0.25) USER MOD Single : A 8 MET CE :methyl 159:sc= -0.132 (180deg=-0.68) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= -0.391 X(o=-0.39,f=-0.018) USER MOD Single : A 43 LYS NZ :NH3+ -119:sc= -0.291 (180deg=-0.815!) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= -0.214 K(o=-0.21,f=-2.3!) USER MOD Single : A 52 GLN : amide:sc= 0.465 X(o=0.46,f=-0.011) USER MOD Single : A 67 THR OG1 : rot 114:sc= 1.29 USER MOD Single : A 71 TYR OH : rot 180:sc= -0.207 USER MOD Single : A 75 HIS : no HD1:sc= -0.0538 X(o=-0.054,f=-0.003) USER MOD Single : A 76 GLN : amide:sc=-0.00685 K(o=-0.0069,f=-1.2) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 90 HIS : no HE2:sc= -1.91 K(o=-1.9,f=-2.4) USER MOD Single : A 95 HIS : no HE2:sc= 1.1 K(o=1.1,f=-5.2!) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 101 HIS : no HD1:sc= -0.385 X(o=-0.39,f=0.093) USER MOD Single : A 103 HIS : +bothHN:sc= 0.57 K(o=0.57,f=-6.7!) USER MOD Single : A 104 GLN : amide:sc= -0.0361 X(o=-0.036,f=-0.043) USER MOD Single : A 109 CYS SG : rot 180:sc= -1.45 USER MOD Single : A 110 SER OG : rot -113:sc= -1.02! USER MOD Single : A 116 GLN : amide:sc= -1.12! X(o=-1.1!,f=-1.4) USER MOD Single : A 117 TYR OH : rot 180:sc= 0 USER MOD Single : A 131 MET CE :methyl -164:sc= -0.177 (180deg=-0.613) USER MOD ----------------------------------------------------------------- ATOM 78 N LYS A 7 -19.331 -8.553 -2.784 1.00 0.00 N ATOM 79 CA LYS A 7 -18.809 -7.366 -3.439 1.00 0.00 C ATOM 80 C LYS A 7 -17.297 -7.443 -3.544 1.00 0.00 C ATOM 81 O LYS A 7 -16.635 -8.025 -2.683 1.00 0.00 O ATOM 82 CB LYS A 7 -19.211 -6.100 -2.676 1.00 0.00 C ATOM 83 CG LYS A 7 -20.713 -5.916 -2.537 1.00 0.00 C ATOM 84 CD LYS A 7 -21.054 -4.574 -1.906 1.00 0.00 C ATOM 85 CE LYS A 7 -20.658 -3.413 -2.808 1.00 0.00 C ATOM 86 NZ LYS A 7 -21.417 -3.421 -4.086 1.00 0.00 N ATOM 0 HA LYS A 7 -19.236 -7.319 -4.441 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -18.765 -6.130 -1.682 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -18.794 -5.232 -3.187 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -21.182 -5.987 -3.518 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -21.124 -6.721 -1.928 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -22.124 -4.529 -1.702 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -20.543 -4.482 -0.948 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -20.834 -2.472 -2.287 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -19.590 -3.465 -3.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -21.287 -2.511 -4.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -21.068 -4.190 -4.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -22.428 -3.567 -3.889 1.00 0.00 H new ATOM 100 N MET A 8 -16.757 -6.871 -4.604 1.00 0.00 N ATOM 101 CA MET A 8 -15.319 -6.804 -4.773 1.00 0.00 C ATOM 102 C MET A 8 -14.817 -5.417 -4.413 1.00 0.00 C ATOM 103 O MET A 8 -15.312 -4.408 -4.915 1.00 0.00 O ATOM 104 CB MET A 8 -14.905 -7.179 -6.198 1.00 0.00 C ATOM 105 CG MET A 8 -15.034 -8.667 -6.495 1.00 0.00 C ATOM 106 SD MET A 8 -14.449 -9.103 -8.145 1.00 0.00 S ATOM 107 CE MET A 8 -12.708 -8.702 -8.001 1.00 0.00 C ATOM 0 H MET A 8 -17.293 -6.446 -5.361 1.00 0.00 H new ATOM 0 HA MET A 8 -14.863 -7.530 -4.100 1.00 0.00 H new ATOM 0 HB2 MET A 8 -15.518 -6.621 -6.905 1.00 0.00 H new ATOM 0 HB3 MET A 8 -13.872 -6.872 -6.361 1.00 0.00 H new ATOM 0 HG2 MET A 8 -14.469 -9.231 -5.753 1.00 0.00 H new ATOM 0 HG3 MET A 8 -16.078 -8.964 -6.394 1.00 0.00 H new ATOM 0 HE1 MET A 8 -12.146 -9.240 -8.764 1.00 0.00 H new ATOM 0 HE2 MET A 8 -12.569 -7.629 -8.137 1.00 0.00 H new ATOM 0 HE3 MET A 8 -12.348 -8.992 -7.014 1.00 0.00 H new ATOM 117 N ILE A 9 -13.837 -5.384 -3.536 1.00 0.00 N ATOM 118 CA ILE A 9 -13.284 -4.146 -3.033 1.00 0.00 C ATOM 119 C ILE A 9 -11.894 -3.951 -3.613 1.00 0.00 C ATOM 120 O ILE A 9 -10.990 -4.744 -3.360 1.00 0.00 O ATOM 121 CB ILE A 9 -13.192 -4.180 -1.493 1.00 0.00 C ATOM 122 CG1 ILE A 9 -14.571 -4.430 -0.881 1.00 0.00 C ATOM 123 CG2 ILE A 9 -12.578 -2.904 -0.928 1.00 0.00 C ATOM 124 CD1 ILE A 9 -14.565 -4.444 0.632 1.00 0.00 C ATOM 0 H ILE A 9 -13.399 -6.220 -3.150 1.00 0.00 H new ATOM 0 HA ILE A 9 -13.935 -3.323 -3.328 1.00 0.00 H new ATOM 0 HB ILE A 9 -12.531 -5.004 -1.224 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -15.259 -3.658 -1.227 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -14.954 -5.384 -1.244 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -12.533 -2.972 0.159 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -11.571 -2.778 -1.326 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -13.190 -2.048 -1.213 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -15.575 -4.626 0.998 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -13.903 -5.234 0.986 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -14.213 -3.482 1.003 1.00 0.00 H new ATOM 136 N GLU A 10 -11.718 -2.912 -4.397 1.00 0.00 N ATOM 137 CA GLU A 10 -10.414 -2.628 -4.960 1.00 0.00 C ATOM 138 C GLU A 10 -9.693 -1.648 -4.064 1.00 0.00 C ATOM 139 O GLU A 10 -10.195 -0.560 -3.800 1.00 0.00 O ATOM 140 CB GLU A 10 -10.515 -2.056 -6.374 1.00 0.00 C ATOM 141 CG GLU A 10 -11.059 -3.032 -7.399 1.00 0.00 C ATOM 142 CD GLU A 10 -10.844 -2.543 -8.815 1.00 0.00 C ATOM 143 OE1 GLU A 10 -9.679 -2.517 -9.262 1.00 0.00 O ATOM 144 OE2 GLU A 10 -11.830 -2.168 -9.480 1.00 0.00 O ATOM 0 H GLU A 10 -12.452 -2.254 -4.659 1.00 0.00 H new ATOM 0 HA GLU A 10 -9.860 -3.564 -5.024 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -11.155 -1.174 -6.353 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -9.526 -1.725 -6.692 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -10.574 -4.000 -7.272 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -12.124 -3.184 -7.225 1.00 0.00 H new ATOM 151 N VAL A 11 -8.529 -2.029 -3.584 1.00 0.00 N ATOM 152 CA VAL A 11 -7.760 -1.164 -2.715 1.00 0.00 C ATOM 153 C VAL A 11 -6.381 -0.968 -3.309 1.00 0.00 C ATOM 154 O VAL A 11 -5.780 -1.907 -3.827 1.00 0.00 O ATOM 155 CB VAL A 11 -7.637 -1.743 -1.285 1.00 0.00 C ATOM 156 CG1 VAL A 11 -6.748 -0.870 -0.409 1.00 0.00 C ATOM 157 CG2 VAL A 11 -9.010 -1.895 -0.648 1.00 0.00 C ATOM 0 H VAL A 11 -8.095 -2.931 -3.780 1.00 0.00 H new ATOM 0 HA VAL A 11 -8.280 -0.209 -2.637 1.00 0.00 H new ATOM 0 HB VAL A 11 -7.175 -2.727 -1.366 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -6.682 -1.304 0.589 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -5.751 -0.812 -0.846 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -7.174 0.131 -0.342 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -8.902 -2.303 0.357 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -9.496 -0.921 -0.593 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -9.618 -2.570 -1.250 1.00 0.00 H new ATOM 167 N VAL A 12 -5.903 0.252 -3.282 1.00 0.00 N ATOM 168 CA VAL A 12 -4.570 0.543 -3.756 1.00 0.00 C ATOM 169 C VAL A 12 -3.671 0.916 -2.592 1.00 0.00 C ATOM 170 O VAL A 12 -4.065 1.674 -1.705 1.00 0.00 O ATOM 171 CB VAL A 12 -4.569 1.663 -4.819 1.00 0.00 C ATOM 172 CG1 VAL A 12 -4.988 1.109 -6.171 1.00 0.00 C ATOM 173 CG2 VAL A 12 -5.492 2.803 -4.406 1.00 0.00 C ATOM 0 H VAL A 12 -6.418 1.062 -2.936 1.00 0.00 H new ATOM 0 HA VAL A 12 -4.184 -0.358 -4.232 1.00 0.00 H new ATOM 0 HB VAL A 12 -3.555 2.056 -4.899 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -4.983 1.910 -6.910 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -4.291 0.329 -6.476 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -5.992 0.690 -6.097 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -5.475 3.580 -5.170 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -6.509 2.426 -4.295 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -5.154 3.220 -3.457 1.00 0.00 H new ATOM 183 N ALA A 13 -2.477 0.352 -2.588 1.00 0.00 N ATOM 184 CA ALA A 13 -1.497 0.607 -1.552 1.00 0.00 C ATOM 185 C ALA A 13 -0.265 1.231 -2.177 1.00 0.00 C ATOM 186 O ALA A 13 0.225 0.763 -3.208 1.00 0.00 O ATOM 187 CB ALA A 13 -1.135 -0.686 -0.827 1.00 0.00 C ATOM 0 H ALA A 13 -2.160 -0.298 -3.307 1.00 0.00 H new ATOM 0 HA ALA A 13 -1.917 1.295 -0.818 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.398 -0.475 -0.052 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -2.029 -1.110 -0.371 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -0.719 -1.398 -1.539 1.00 0.00 H new ATOM 193 N ALA A 14 0.232 2.286 -1.569 1.00 0.00 N ATOM 194 CA ALA A 14 1.366 2.989 -2.118 1.00 0.00 C ATOM 195 C ALA A 14 2.628 2.631 -1.370 1.00 0.00 C ATOM 196 O ALA A 14 2.750 2.886 -0.172 1.00 0.00 O ATOM 197 CB ALA A 14 1.145 4.490 -2.075 1.00 0.00 C ATOM 0 H ALA A 14 -0.131 2.673 -0.698 1.00 0.00 H new ATOM 0 HA ALA A 14 1.476 2.684 -3.159 1.00 0.00 H new ATOM 0 HB1 ALA A 14 2.014 4.998 -2.494 1.00 0.00 H new ATOM 0 HB2 ALA A 14 0.260 4.744 -2.658 1.00 0.00 H new ATOM 0 HB3 ALA A 14 1.003 4.807 -1.042 1.00 0.00 H new ATOM 203 N ILE A 15 3.570 2.051 -2.083 1.00 0.00 N ATOM 204 CA ILE A 15 4.848 1.735 -1.510 1.00 0.00 C ATOM 205 C ILE A 15 5.808 2.858 -1.841 1.00 0.00 C ATOM 206 O ILE A 15 6.322 2.949 -2.963 1.00 0.00 O ATOM 207 CB ILE A 15 5.405 0.394 -2.028 1.00 0.00 C ATOM 208 CG1 ILE A 15 4.459 -0.748 -1.643 1.00 0.00 C ATOM 209 CG2 ILE A 15 6.801 0.145 -1.477 1.00 0.00 C ATOM 210 CD1 ILE A 15 5.118 -2.108 -1.648 1.00 0.00 C ATOM 0 H ILE A 15 3.468 1.790 -3.064 1.00 0.00 H new ATOM 0 HA ILE A 15 4.729 1.631 -0.432 1.00 0.00 H new ATOM 0 HB ILE A 15 5.475 0.439 -3.115 1.00 0.00 H new ATOM 0 HG12 ILE A 15 4.054 -0.554 -0.650 1.00 0.00 H new ATOM 0 HG13 ILE A 15 3.616 -0.759 -2.334 1.00 0.00 H new ATOM 0 HG21 ILE A 15 7.177 -0.806 -1.854 1.00 0.00 H new ATOM 0 HG22 ILE A 15 7.466 0.949 -1.793 1.00 0.00 H new ATOM 0 HG23 ILE A 15 6.762 0.114 -0.388 1.00 0.00 H new ATOM 0 HD11 ILE A 15 4.388 -2.867 -1.366 1.00 0.00 H new ATOM 0 HD12 ILE A 15 5.499 -2.324 -2.646 1.00 0.00 H new ATOM 0 HD13 ILE A 15 5.943 -2.115 -0.936 1.00 0.00 H new ATOM 222 N ILE A 16 6.013 3.733 -0.878 1.00 0.00 N ATOM 223 CA ILE A 16 6.847 4.896 -1.073 1.00 0.00 C ATOM 224 C ILE A 16 8.283 4.538 -0.741 1.00 0.00 C ATOM 225 O ILE A 16 8.645 4.434 0.429 1.00 0.00 O ATOM 226 CB ILE A 16 6.360 6.064 -0.185 1.00 0.00 C ATOM 227 CG1 ILE A 16 4.848 6.242 -0.364 1.00 0.00 C ATOM 228 CG2 ILE A 16 7.096 7.356 -0.524 1.00 0.00 C ATOM 229 CD1 ILE A 16 4.255 7.344 0.478 1.00 0.00 C ATOM 0 H ILE A 16 5.608 3.657 0.055 1.00 0.00 H new ATOM 0 HA ILE A 16 6.786 5.216 -2.113 1.00 0.00 H new ATOM 0 HB ILE A 16 6.575 5.827 0.857 1.00 0.00 H new ATOM 0 HG12 ILE A 16 4.639 6.448 -1.414 1.00 0.00 H new ATOM 0 HG13 ILE A 16 4.351 5.304 -0.118 1.00 0.00 H new ATOM 0 HG21 ILE A 16 6.733 8.160 0.116 1.00 0.00 H new ATOM 0 HG22 ILE A 16 8.165 7.219 -0.363 1.00 0.00 H new ATOM 0 HG23 ILE A 16 6.916 7.614 -1.568 1.00 0.00 H new ATOM 0 HD11 ILE A 16 3.182 7.406 0.294 1.00 0.00 H new ATOM 0 HD12 ILE A 16 4.430 7.131 1.532 1.00 0.00 H new ATOM 0 HD13 ILE A 16 4.723 8.293 0.217 1.00 0.00 H new ATOM 241 N GLU A 17 9.088 4.318 -1.768 1.00 0.00 N ATOM 242 CA GLU A 17 10.458 3.890 -1.559 1.00 0.00 C ATOM 243 C GLU A 17 11.397 5.039 -1.855 1.00 0.00 C ATOM 244 O GLU A 17 11.529 5.473 -3.000 1.00 0.00 O ATOM 245 CB GLU A 17 10.832 2.692 -2.436 1.00 0.00 C ATOM 246 CG GLU A 17 12.180 2.086 -2.064 1.00 0.00 C ATOM 247 CD GLU A 17 12.818 1.284 -3.182 1.00 0.00 C ATOM 248 OE1 GLU A 17 12.169 0.359 -3.709 1.00 0.00 O ATOM 249 OE2 GLU A 17 13.983 1.573 -3.531 1.00 0.00 O ATOM 0 H GLU A 17 8.818 4.428 -2.745 1.00 0.00 H new ATOM 0 HA GLU A 17 10.549 3.580 -0.518 1.00 0.00 H new ATOM 0 HB2 GLU A 17 10.059 1.928 -2.349 1.00 0.00 H new ATOM 0 HB3 GLU A 17 10.855 3.005 -3.480 1.00 0.00 H new ATOM 0 HG2 GLU A 17 12.859 2.886 -1.770 1.00 0.00 H new ATOM 0 HG3 GLU A 17 12.051 1.441 -1.195 1.00 0.00 H new ATOM 256 N ARG A 18 12.035 5.537 -0.821 1.00 0.00 N ATOM 257 CA ARG A 18 12.986 6.606 -0.971 1.00 0.00 C ATOM 258 C ARG A 18 14.346 6.140 -0.483 1.00 0.00 C ATOM 259 O ARG A 18 14.528 5.845 0.697 1.00 0.00 O ATOM 260 CB ARG A 18 12.511 7.844 -0.216 1.00 0.00 C ATOM 261 CG ARG A 18 13.404 9.057 -0.407 1.00 0.00 C ATOM 262 CD ARG A 18 13.624 9.380 -1.877 1.00 0.00 C ATOM 263 NE ARG A 18 15.043 9.320 -2.212 1.00 0.00 N ATOM 264 CZ ARG A 18 15.552 9.526 -3.424 1.00 0.00 C ATOM 265 NH1 ARG A 18 14.765 9.844 -4.447 1.00 0.00 N ATOM 266 NH2 ARG A 18 16.861 9.411 -3.607 1.00 0.00 N ATOM 0 H ARG A 18 11.909 5.214 0.138 1.00 0.00 H new ATOM 0 HA ARG A 18 13.073 6.879 -2.023 1.00 0.00 H new ATOM 0 HB2 ARG A 18 11.501 8.092 -0.543 1.00 0.00 H new ATOM 0 HB3 ARG A 18 12.454 7.610 0.847 1.00 0.00 H new ATOM 0 HG2 ARG A 18 12.956 9.918 0.090 1.00 0.00 H new ATOM 0 HG3 ARG A 18 14.366 8.877 0.072 1.00 0.00 H new ATOM 0 HD2 ARG A 18 13.069 8.675 -2.496 1.00 0.00 H new ATOM 0 HD3 ARG A 18 13.235 10.374 -2.098 1.00 0.00 H new ATOM 0 HE ARG A 18 15.695 9.103 -1.458 1.00 0.00 H new ATOM 0 HH11 ARG A 18 13.758 9.933 -4.308 1.00 0.00 H new ATOM 0 HH12 ARG A 18 15.168 9.999 -5.371 1.00 0.00 H new ATOM 0 HH21 ARG A 18 17.466 9.167 -2.823 1.00 0.00 H new ATOM 0 HH22 ARG A 18 17.262 9.567 -4.532 1.00 0.00 H new ATOM 280 N ASP A 19 15.275 6.043 -1.424 1.00 0.00 N ATOM 281 CA ASP A 19 16.638 5.574 -1.158 1.00 0.00 C ATOM 282 C ASP A 19 16.651 4.142 -0.639 1.00 0.00 C ATOM 283 O ASP A 19 17.527 3.768 0.139 1.00 0.00 O ATOM 284 CB ASP A 19 17.351 6.488 -0.157 1.00 0.00 C ATOM 285 CG ASP A 19 17.459 7.911 -0.662 1.00 0.00 C ATOM 286 OD1 ASP A 19 18.294 8.173 -1.557 1.00 0.00 O ATOM 287 OD2 ASP A 19 16.696 8.775 -0.188 1.00 0.00 O ATOM 0 H ASP A 19 15.109 6.287 -2.400 1.00 0.00 H new ATOM 0 HA ASP A 19 17.171 5.601 -2.108 1.00 0.00 H new ATOM 0 HB2 ASP A 19 16.811 6.480 0.790 1.00 0.00 H new ATOM 0 HB3 ASP A 19 18.349 6.098 0.042 1.00 0.00 H new ATOM 292 N GLY A 20 15.694 3.333 -1.071 1.00 0.00 N ATOM 293 CA GLY A 20 15.675 1.946 -0.661 1.00 0.00 C ATOM 294 C GLY A 20 14.902 1.722 0.620 1.00 0.00 C ATOM 295 O GLY A 20 14.946 0.634 1.195 1.00 0.00 O ATOM 0 H GLY A 20 14.936 3.611 -1.694 1.00 0.00 H new ATOM 0 HA2 GLY A 20 15.235 1.343 -1.455 1.00 0.00 H new ATOM 0 HA3 GLY A 20 16.699 1.598 -0.527 1.00 0.00 H new ATOM 299 N LYS A 21 14.202 2.745 1.082 1.00 0.00 N ATOM 300 CA LYS A 21 13.413 2.629 2.298 1.00 0.00 C ATOM 301 C LYS A 21 11.950 2.933 2.005 1.00 0.00 C ATOM 302 O LYS A 21 11.646 3.842 1.238 1.00 0.00 O ATOM 303 CB LYS A 21 13.941 3.576 3.378 1.00 0.00 C ATOM 304 CG LYS A 21 15.450 3.518 3.561 1.00 0.00 C ATOM 305 CD LYS A 21 15.819 3.332 5.023 1.00 0.00 C ATOM 306 CE LYS A 21 17.305 3.075 5.207 1.00 0.00 C ATOM 307 NZ LYS A 21 18.130 4.260 4.848 1.00 0.00 N ATOM 0 H LYS A 21 14.164 3.662 0.636 1.00 0.00 H new ATOM 0 HA LYS A 21 13.496 1.606 2.666 1.00 0.00 H new ATOM 0 HB2 LYS A 21 13.654 4.597 3.125 1.00 0.00 H new ATOM 0 HB3 LYS A 21 13.460 3.335 4.326 1.00 0.00 H new ATOM 0 HG2 LYS A 21 15.859 2.697 2.973 1.00 0.00 H new ATOM 0 HG3 LYS A 21 15.900 4.436 3.183 1.00 0.00 H new ATOM 0 HD2 LYS A 21 15.533 4.221 5.585 1.00 0.00 H new ATOM 0 HD3 LYS A 21 15.253 2.497 5.436 1.00 0.00 H new ATOM 0 HE2 LYS A 21 17.499 2.801 6.244 1.00 0.00 H new ATOM 0 HE3 LYS A 21 17.604 2.227 4.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 19.136 4.038 4.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 17.967 4.508 3.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 17.865 5.064 5.452 1.00 0.00 H new ATOM 321 N ILE A 22 11.057 2.184 2.632 1.00 0.00 N ATOM 322 CA ILE A 22 9.627 2.313 2.383 1.00 0.00 C ATOM 323 C ILE A 22 8.974 3.081 3.522 1.00 0.00 C ATOM 324 O ILE A 22 9.426 3.005 4.666 1.00 0.00 O ATOM 325 CB ILE A 22 8.956 0.921 2.260 1.00 0.00 C ATOM 326 CG1 ILE A 22 9.777 0.013 1.348 1.00 0.00 C ATOM 327 CG2 ILE A 22 7.529 1.040 1.730 1.00 0.00 C ATOM 328 CD1 ILE A 22 9.263 -1.406 1.301 1.00 0.00 C ATOM 0 H ILE A 22 11.299 1.474 3.323 1.00 0.00 H new ATOM 0 HA ILE A 22 9.494 2.851 1.444 1.00 0.00 H new ATOM 0 HB ILE A 22 8.914 0.482 3.257 1.00 0.00 H new ATOM 0 HG12 ILE A 22 9.777 0.426 0.339 1.00 0.00 H new ATOM 0 HG13 ILE A 22 10.812 0.006 1.689 1.00 0.00 H new ATOM 0 HG21 ILE A 22 7.085 0.047 1.655 1.00 0.00 H new ATOM 0 HG22 ILE A 22 6.938 1.651 2.411 1.00 0.00 H new ATOM 0 HG23 ILE A 22 7.544 1.506 0.745 1.00 0.00 H new ATOM 0 HD11 ILE A 22 9.891 -1.998 0.635 1.00 0.00 H new ATOM 0 HD12 ILE A 22 9.289 -1.836 2.302 1.00 0.00 H new ATOM 0 HD13 ILE A 22 8.238 -1.409 0.931 1.00 0.00 H new ATOM 340 N LEU A 23 7.930 3.833 3.204 1.00 0.00 N ATOM 341 CA LEU A 23 7.224 4.617 4.199 1.00 0.00 C ATOM 342 C LEU A 23 6.084 3.814 4.823 1.00 0.00 C ATOM 343 O LEU A 23 5.180 3.343 4.131 1.00 0.00 O ATOM 344 CB LEU A 23 6.689 5.907 3.576 1.00 0.00 C ATOM 345 CG LEU A 23 6.048 6.884 4.561 1.00 0.00 C ATOM 346 CD1 LEU A 23 7.050 7.314 5.621 1.00 0.00 C ATOM 347 CD2 LEU A 23 5.494 8.091 3.826 1.00 0.00 C ATOM 0 H LEU A 23 7.554 3.915 2.259 1.00 0.00 H new ATOM 0 HA LEU A 23 7.928 4.874 4.990 1.00 0.00 H new ATOM 0 HB2 LEU A 23 7.509 6.414 3.067 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.953 5.647 2.815 1.00 0.00 H new ATOM 0 HG LEU A 23 5.223 6.376 5.060 1.00 0.00 H new ATOM 0 HD11 LEU A 23 6.573 8.009 6.312 1.00 0.00 H new ATOM 0 HD12 LEU A 23 7.398 6.439 6.170 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.899 7.803 5.142 1.00 0.00 H new ATOM 0 HD21 LEU A 23 5.041 8.777 4.542 1.00 0.00 H new ATOM 0 HD22 LEU A 23 6.302 8.598 3.299 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.741 7.766 3.109 1.00 0.00 H new ATOM 359 N LEU A 24 6.152 3.666 6.136 1.00 0.00 N ATOM 360 CA LEU A 24 5.145 2.933 6.895 1.00 0.00 C ATOM 361 C LEU A 24 4.362 3.889 7.784 1.00 0.00 C ATOM 362 O LEU A 24 4.943 4.769 8.420 1.00 0.00 O ATOM 363 CB LEU A 24 5.782 1.838 7.765 1.00 0.00 C ATOM 364 CG LEU A 24 6.348 0.621 7.020 1.00 0.00 C ATOM 365 CD1 LEU A 24 7.614 0.973 6.263 1.00 0.00 C ATOM 366 CD2 LEU A 24 6.611 -0.521 7.991 1.00 0.00 C ATOM 0 H LEU A 24 6.905 4.049 6.708 1.00 0.00 H new ATOM 0 HA LEU A 24 4.474 2.458 6.179 1.00 0.00 H new ATOM 0 HB2 LEU A 24 6.587 2.288 8.346 1.00 0.00 H new ATOM 0 HB3 LEU A 24 5.034 1.487 8.475 1.00 0.00 H new ATOM 0 HG LEU A 24 5.603 0.301 6.292 1.00 0.00 H new ATOM 0 HD11 LEU A 24 7.987 0.088 5.747 1.00 0.00 H new ATOM 0 HD12 LEU A 24 7.397 1.753 5.534 1.00 0.00 H new ATOM 0 HD13 LEU A 24 8.369 1.331 6.963 1.00 0.00 H new ATOM 0 HD21 LEU A 24 7.012 -1.376 7.447 1.00 0.00 H new ATOM 0 HD22 LEU A 24 7.331 -0.200 8.744 1.00 0.00 H new ATOM 0 HD23 LEU A 24 5.679 -0.806 8.479 1.00 0.00 H new ATOM 378 N ALA A 25 3.050 3.716 7.822 1.00 0.00 N ATOM 379 CA ALA A 25 2.197 4.550 8.653 1.00 0.00 C ATOM 380 C ALA A 25 1.482 3.704 9.705 1.00 0.00 C ATOM 381 O ALA A 25 0.679 2.834 9.378 1.00 0.00 O ATOM 382 CB ALA A 25 1.197 5.309 7.794 1.00 0.00 C ATOM 0 H ALA A 25 2.553 3.005 7.286 1.00 0.00 H new ATOM 0 HA ALA A 25 2.821 5.278 9.171 1.00 0.00 H new ATOM 0 HB1 ALA A 25 0.566 5.928 8.431 1.00 0.00 H new ATOM 0 HB2 ALA A 25 1.732 5.943 7.087 1.00 0.00 H new ATOM 0 HB3 ALA A 25 0.575 4.600 7.247 1.00 0.00 H new ATOM 388 N GLN A 26 1.799 3.962 10.964 1.00 0.00 N ATOM 389 CA GLN A 26 1.275 3.180 12.076 1.00 0.00 C ATOM 390 C GLN A 26 -0.209 3.449 12.316 1.00 0.00 C ATOM 391 O GLN A 26 -0.606 4.576 12.615 1.00 0.00 O ATOM 392 CB GLN A 26 2.077 3.485 13.345 1.00 0.00 C ATOM 393 CG GLN A 26 1.660 2.662 14.550 1.00 0.00 C ATOM 394 CD GLN A 26 2.536 2.920 15.758 1.00 0.00 C ATOM 395 OE1 GLN A 26 2.256 3.806 16.566 1.00 0.00 O ATOM 396 NE2 GLN A 26 3.599 2.143 15.893 1.00 0.00 N ATOM 0 H GLN A 26 2.425 4.717 11.245 1.00 0.00 H new ATOM 0 HA GLN A 26 1.377 2.126 11.819 1.00 0.00 H new ATOM 0 HB2 GLN A 26 3.134 3.309 13.146 1.00 0.00 H new ATOM 0 HB3 GLN A 26 1.970 4.543 13.585 1.00 0.00 H new ATOM 0 HG2 GLN A 26 0.624 2.890 14.801 1.00 0.00 H new ATOM 0 HG3 GLN A 26 1.701 1.603 14.295 1.00 0.00 H new ATOM 0 HE21 GLN A 26 3.794 1.421 15.200 1.00 0.00 H new ATOM 0 HE22 GLN A 26 4.223 2.267 16.690 1.00 0.00 H new ATOM 520 N GLY A 35 0.517 0.046 17.399 1.00 0.00 N ATOM 521 CA GLY A 35 1.846 -0.468 17.130 1.00 0.00 C ATOM 522 C GLY A 35 2.025 -1.005 15.727 1.00 0.00 C ATOM 523 O GLY A 35 3.126 -0.967 15.185 1.00 0.00 O ATOM 0 HA2 GLY A 35 2.573 0.326 17.300 1.00 0.00 H new ATOM 0 HA3 GLY A 35 2.069 -1.262 17.843 1.00 0.00 H new ATOM 527 N LEU A 36 0.952 -1.493 15.130 1.00 0.00 N ATOM 528 CA LEU A 36 1.015 -2.076 13.800 1.00 0.00 C ATOM 529 C LEU A 36 1.135 -1.004 12.727 1.00 0.00 C ATOM 530 O LEU A 36 0.587 0.092 12.860 1.00 0.00 O ATOM 531 CB LEU A 36 -0.239 -2.916 13.548 1.00 0.00 C ATOM 532 CG LEU A 36 -0.276 -4.309 14.200 1.00 0.00 C ATOM 533 CD1 LEU A 36 0.137 -4.274 15.665 1.00 0.00 C ATOM 534 CD2 LEU A 36 -1.672 -4.881 14.087 1.00 0.00 C ATOM 0 H LEU A 36 0.021 -1.497 15.547 1.00 0.00 H new ATOM 0 HA LEU A 36 1.903 -2.706 13.749 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.103 -2.352 13.899 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -0.355 -3.040 12.471 1.00 0.00 H new ATOM 0 HG LEU A 36 0.440 -4.937 13.671 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.094 -5.281 16.079 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.154 -3.891 15.747 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.541 -3.625 16.219 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -1.699 -5.868 14.549 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -2.377 -4.223 14.595 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -1.947 -4.965 13.036 1.00 0.00 H new ATOM 546 N TRP A 37 1.853 -1.336 11.665 1.00 0.00 N ATOM 547 CA TRP A 37 2.095 -0.407 10.573 1.00 0.00 C ATOM 548 C TRP A 37 1.385 -0.888 9.314 1.00 0.00 C ATOM 549 O TRP A 37 1.161 -2.087 9.140 1.00 0.00 O ATOM 550 CB TRP A 37 3.601 -0.289 10.298 1.00 0.00 C ATOM 551 CG TRP A 37 4.414 0.091 11.500 1.00 0.00 C ATOM 552 CD1 TRP A 37 4.868 -0.747 12.479 1.00 0.00 C ATOM 553 CD2 TRP A 37 4.883 1.399 11.845 1.00 0.00 C ATOM 554 NE1 TRP A 37 5.577 -0.037 13.415 1.00 0.00 N ATOM 555 CE2 TRP A 37 5.602 1.282 13.048 1.00 0.00 C ATOM 556 CE3 TRP A 37 4.761 2.660 11.254 1.00 0.00 C ATOM 557 CZ2 TRP A 37 6.197 2.377 13.670 1.00 0.00 C ATOM 558 CZ3 TRP A 37 5.350 3.746 11.872 1.00 0.00 C ATOM 559 CH2 TRP A 37 6.059 3.599 13.069 1.00 0.00 C ATOM 0 H TRP A 37 2.282 -2.252 11.536 1.00 0.00 H new ATOM 0 HA TRP A 37 1.707 0.571 10.857 1.00 0.00 H new ATOM 0 HB2 TRP A 37 3.965 -1.241 9.913 1.00 0.00 H new ATOM 0 HB3 TRP A 37 3.760 0.453 9.516 1.00 0.00 H new ATOM 0 HD1 TRP A 37 4.694 -1.812 12.511 1.00 0.00 H new ATOM 0 HE1 TRP A 37 6.015 -0.428 14.249 1.00 0.00 H new ATOM 0 HE3 TRP A 37 4.216 2.783 10.330 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 6.747 2.266 14.593 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 5.262 4.725 11.424 1.00 0.00 H new ATOM 0 HH2 TRP A 37 6.507 4.468 13.528 1.00 0.00 H new ATOM 570 N GLU A 38 1.009 0.048 8.460 1.00 0.00 N ATOM 571 CA GLU A 38 0.440 -0.278 7.159 1.00 0.00 C ATOM 572 C GLU A 38 0.974 0.677 6.100 1.00 0.00 C ATOM 573 O GLU A 38 1.325 1.825 6.411 1.00 0.00 O ATOM 574 CB GLU A 38 -1.091 -0.199 7.200 1.00 0.00 C ATOM 575 CG GLU A 38 -1.618 1.131 7.721 1.00 0.00 C ATOM 576 CD GLU A 38 -3.097 1.334 7.453 1.00 0.00 C ATOM 577 OE1 GLU A 38 -3.927 0.635 8.068 1.00 0.00 O ATOM 578 OE2 GLU A 38 -3.439 2.224 6.640 1.00 0.00 O ATOM 0 H GLU A 38 1.087 1.048 8.644 1.00 0.00 H new ATOM 0 HA GLU A 38 0.730 -1.298 6.906 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -1.482 -0.368 6.197 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.471 -1.003 7.830 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.438 1.190 8.794 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -1.057 1.943 7.259 1.00 0.00 H new ATOM 585 N PHE A 39 1.072 0.205 4.868 1.00 0.00 N ATOM 586 CA PHE A 39 1.411 1.076 3.754 1.00 0.00 C ATOM 587 C PHE A 39 0.173 1.871 3.358 1.00 0.00 C ATOM 588 O PHE A 39 -0.908 1.310 3.184 1.00 0.00 O ATOM 589 CB PHE A 39 1.949 0.273 2.560 1.00 0.00 C ATOM 590 CG PHE A 39 3.253 -0.420 2.811 1.00 0.00 C ATOM 591 CD1 PHE A 39 3.894 -0.334 4.034 1.00 0.00 C ATOM 592 CD2 PHE A 39 3.832 -1.167 1.809 1.00 0.00 C ATOM 593 CE1 PHE A 39 5.090 -0.987 4.246 1.00 0.00 C ATOM 594 CE2 PHE A 39 5.021 -1.818 2.014 1.00 0.00 C ATOM 595 CZ PHE A 39 5.656 -1.730 3.234 1.00 0.00 C ATOM 0 H PHE A 39 0.923 -0.772 4.614 1.00 0.00 H new ATOM 0 HA PHE A 39 2.203 1.759 4.063 1.00 0.00 H new ATOM 0 HB2 PHE A 39 1.206 -0.472 2.275 1.00 0.00 H new ATOM 0 HB3 PHE A 39 2.068 0.946 1.711 1.00 0.00 H new ATOM 0 HD1 PHE A 39 3.454 0.249 4.829 1.00 0.00 H new ATOM 0 HD2 PHE A 39 3.343 -1.241 0.849 1.00 0.00 H new ATOM 0 HE1 PHE A 39 5.582 -0.916 5.205 1.00 0.00 H new ATOM 0 HE2 PHE A 39 5.461 -2.401 1.218 1.00 0.00 H new ATOM 0 HZ PHE A 39 6.593 -2.241 3.396 1.00 0.00 H new ATOM 605 N ALA A 40 0.329 3.180 3.243 1.00 0.00 N ATOM 606 CA ALA A 40 -0.804 4.066 3.020 1.00 0.00 C ATOM 607 C ALA A 40 -1.443 3.838 1.655 1.00 0.00 C ATOM 608 O ALA A 40 -0.812 3.321 0.734 1.00 0.00 O ATOM 609 CB ALA A 40 -0.374 5.512 3.170 1.00 0.00 C ATOM 0 H ALA A 40 1.230 3.654 3.300 1.00 0.00 H new ATOM 0 HA ALA A 40 -1.557 3.837 3.774 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -1.230 6.166 3.001 1.00 0.00 H new ATOM 0 HB2 ALA A 40 0.013 5.674 4.176 1.00 0.00 H new ATOM 0 HB3 ALA A 40 0.404 5.738 2.441 1.00 0.00 H new ATOM 615 N GLY A 41 -2.697 4.250 1.531 1.00 0.00 N ATOM 616 CA GLY A 41 -3.437 4.046 0.306 1.00 0.00 C ATOM 617 C GLY A 41 -4.915 4.283 0.517 1.00 0.00 C ATOM 618 O GLY A 41 -5.295 5.171 1.277 1.00 0.00 O ATOM 0 H GLY A 41 -3.218 4.727 2.267 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -3.064 4.721 -0.465 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -3.276 3.030 -0.055 1.00 0.00 H new ATOM 622 N GLY A 42 -5.741 3.473 -0.125 1.00 0.00 N ATOM 623 CA GLY A 42 -7.177 3.626 0.002 1.00 0.00 C ATOM 624 C GLY A 42 -7.944 2.787 -0.996 1.00 0.00 C ATOM 625 O GLY A 42 -7.347 2.129 -1.851 1.00 0.00 O ATOM 0 H GLY A 42 -5.444 2.710 -0.733 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -7.480 3.349 1.012 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -7.440 4.675 -0.133 1.00 0.00 H new ATOM 629 N LYS A 43 -9.265 2.788 -0.877 1.00 0.00 N ATOM 630 CA LYS A 43 -10.110 2.047 -1.802 1.00 0.00 C ATOM 631 C LYS A 43 -10.266 2.818 -3.106 1.00 0.00 C ATOM 632 O LYS A 43 -10.203 4.045 -3.125 1.00 0.00 O ATOM 633 CB LYS A 43 -11.494 1.770 -1.192 1.00 0.00 C ATOM 634 CG LYS A 43 -12.347 0.829 -2.034 1.00 0.00 C ATOM 635 CD LYS A 43 -13.759 0.684 -1.494 1.00 0.00 C ATOM 636 CE LYS A 43 -14.579 1.949 -1.703 1.00 0.00 C ATOM 637 NZ LYS A 43 -14.770 2.272 -3.144 1.00 0.00 N ATOM 0 H LYS A 43 -9.773 3.293 -0.151 1.00 0.00 H new ATOM 0 HA LYS A 43 -9.627 1.091 -2.003 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -11.366 1.341 -0.198 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -12.023 2.714 -1.066 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -12.389 1.200 -3.058 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -11.873 -0.152 -2.070 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -14.252 -0.154 -1.987 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -13.719 0.449 -0.430 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -15.553 1.830 -1.228 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -14.084 2.785 -1.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -14.348 3.200 -3.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -14.309 1.544 -3.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -15.787 2.298 -3.362 1.00 0.00 H new ATOM 651 N VAL A 44 -10.481 2.091 -4.186 1.00 0.00 N ATOM 652 CA VAL A 44 -10.684 2.692 -5.489 1.00 0.00 C ATOM 653 C VAL A 44 -12.174 2.755 -5.781 1.00 0.00 C ATOM 654 O VAL A 44 -12.895 1.778 -5.567 1.00 0.00 O ATOM 655 CB VAL A 44 -9.985 1.880 -6.602 1.00 0.00 C ATOM 656 CG1 VAL A 44 -10.165 2.544 -7.959 1.00 0.00 C ATOM 657 CG2 VAL A 44 -8.511 1.700 -6.286 1.00 0.00 C ATOM 0 H VAL A 44 -10.520 1.072 -4.185 1.00 0.00 H new ATOM 0 HA VAL A 44 -10.252 3.693 -5.474 1.00 0.00 H new ATOM 0 HB VAL A 44 -10.452 0.896 -6.645 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -9.663 1.951 -8.724 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -11.227 2.613 -8.192 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -9.734 3.545 -7.934 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -8.036 1.126 -7.081 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -8.034 2.677 -6.209 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -8.404 1.168 -5.341 1.00 0.00 H new ATOM 667 N GLU A 45 -12.645 3.905 -6.215 1.00 0.00 N ATOM 668 CA GLU A 45 -14.020 4.034 -6.648 1.00 0.00 C ATOM 669 C GLU A 45 -14.077 3.818 -8.161 1.00 0.00 C ATOM 670 O GLU A 45 -13.163 4.232 -8.871 1.00 0.00 O ATOM 671 CB GLU A 45 -14.562 5.416 -6.268 1.00 0.00 C ATOM 672 CG GLU A 45 -16.030 5.409 -5.874 1.00 0.00 C ATOM 673 CD GLU A 45 -16.309 4.456 -4.729 1.00 0.00 C ATOM 674 OE1 GLU A 45 -15.998 4.795 -3.569 1.00 0.00 O ATOM 675 OE2 GLU A 45 -16.828 3.353 -4.980 1.00 0.00 O ATOM 0 H GLU A 45 -12.097 4.763 -6.277 1.00 0.00 H new ATOM 0 HA GLU A 45 -14.642 3.287 -6.156 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -13.974 5.812 -5.440 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -14.424 6.095 -7.110 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -16.333 6.416 -5.589 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -16.635 5.126 -6.736 1.00 0.00 H new ATOM 682 N PRO A 46 -15.135 3.166 -8.678 1.00 0.00 N ATOM 683 CA PRO A 46 -15.270 2.865 -10.119 1.00 0.00 C ATOM 684 C PRO A 46 -15.432 4.117 -10.994 1.00 0.00 C ATOM 685 O PRO A 46 -15.826 4.027 -12.157 1.00 0.00 O ATOM 686 CB PRO A 46 -16.536 2.001 -10.187 1.00 0.00 C ATOM 687 CG PRO A 46 -17.302 2.349 -8.959 1.00 0.00 C ATOM 688 CD PRO A 46 -16.274 2.645 -7.905 1.00 0.00 C ATOM 0 HA PRO A 46 -14.374 2.379 -10.504 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -17.113 2.215 -11.087 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -16.289 0.940 -10.212 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -17.945 3.212 -9.131 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -17.948 1.525 -8.655 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -16.638 3.376 -7.183 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -16.004 1.750 -7.344 1.00 0.00 H new ATOM 696 N ASP A 47 -15.134 5.275 -10.425 1.00 0.00 N ATOM 697 CA ASP A 47 -15.179 6.534 -11.157 1.00 0.00 C ATOM 698 C ASP A 47 -13.772 7.084 -11.381 1.00 0.00 C ATOM 699 O ASP A 47 -13.548 7.942 -12.235 1.00 0.00 O ATOM 700 CB ASP A 47 -16.036 7.548 -10.393 1.00 0.00 C ATOM 701 CG ASP A 47 -15.953 8.948 -10.969 1.00 0.00 C ATOM 702 OD1 ASP A 47 -16.614 9.220 -11.994 1.00 0.00 O ATOM 703 OD2 ASP A 47 -15.225 9.785 -10.395 1.00 0.00 O ATOM 0 H ASP A 47 -14.855 5.370 -9.448 1.00 0.00 H new ATOM 0 HA ASP A 47 -15.628 6.353 -12.134 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -17.075 7.218 -10.403 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -15.719 7.571 -9.350 1.00 0.00 H new ATOM 708 N GLU A 48 -12.823 6.553 -10.637 1.00 0.00 N ATOM 709 CA GLU A 48 -11.460 7.071 -10.656 1.00 0.00 C ATOM 710 C GLU A 48 -10.480 6.009 -11.130 1.00 0.00 C ATOM 711 O GLU A 48 -10.846 4.845 -11.310 1.00 0.00 O ATOM 712 CB GLU A 48 -11.061 7.566 -9.264 1.00 0.00 C ATOM 713 CG GLU A 48 -11.035 6.471 -8.218 1.00 0.00 C ATOM 714 CD GLU A 48 -10.851 7.012 -6.823 1.00 0.00 C ATOM 715 OE1 GLU A 48 -10.267 8.106 -6.676 1.00 0.00 O ATOM 716 OE2 GLU A 48 -11.308 6.355 -5.870 1.00 0.00 O ATOM 0 H GLU A 48 -12.966 5.762 -10.009 1.00 0.00 H new ATOM 0 HA GLU A 48 -11.426 7.907 -11.355 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -10.075 8.028 -9.320 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -11.759 8.342 -8.949 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -11.965 5.905 -8.265 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -10.227 5.775 -8.444 1.00 0.00 H new ATOM 723 N SER A 49 -9.241 6.418 -11.350 1.00 0.00 N ATOM 724 CA SER A 49 -8.188 5.491 -11.723 1.00 0.00 C ATOM 725 C SER A 49 -7.504 4.971 -10.462 1.00 0.00 C ATOM 726 O SER A 49 -7.545 5.618 -9.415 1.00 0.00 O ATOM 727 CB SER A 49 -7.175 6.173 -12.649 1.00 0.00 C ATOM 728 OG SER A 49 -6.320 5.222 -13.262 1.00 0.00 O ATOM 0 H SER A 49 -8.940 7.390 -11.276 1.00 0.00 H new ATOM 0 HA SER A 49 -8.622 4.651 -12.265 1.00 0.00 H new ATOM 0 HB2 SER A 49 -7.703 6.739 -13.416 1.00 0.00 H new ATOM 0 HB3 SER A 49 -6.580 6.887 -12.079 1.00 0.00 H new ATOM 0 HG SER A 49 -5.685 5.683 -13.849 1.00 0.00 H new ATOM 734 N GLN A 50 -6.874 3.809 -10.563 1.00 0.00 N ATOM 735 CA GLN A 50 -6.266 3.165 -9.405 1.00 0.00 C ATOM 736 C GLN A 50 -5.098 3.990 -8.865 1.00 0.00 C ATOM 737 O GLN A 50 -4.968 4.172 -7.654 1.00 0.00 O ATOM 738 CB GLN A 50 -5.810 1.753 -9.767 1.00 0.00 C ATOM 739 CG GLN A 50 -6.955 0.853 -10.207 1.00 0.00 C ATOM 740 CD GLN A 50 -6.494 -0.523 -10.648 1.00 0.00 C ATOM 741 OE1 GLN A 50 -5.378 -0.693 -11.135 1.00 0.00 O ATOM 742 NE2 GLN A 50 -7.356 -1.514 -10.492 1.00 0.00 N ATOM 0 H GLN A 50 -6.770 3.292 -11.436 1.00 0.00 H new ATOM 0 HA GLN A 50 -7.016 3.099 -8.617 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -5.072 1.809 -10.567 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -5.314 1.305 -8.906 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -7.662 0.746 -9.384 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -7.490 1.331 -11.028 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -8.273 -1.333 -10.084 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -7.104 -2.459 -10.780 1.00 0.00 H new ATOM 751 N ARG A 51 -4.262 4.502 -9.759 1.00 0.00 N ATOM 752 CA ARG A 51 -3.147 5.350 -9.345 1.00 0.00 C ATOM 753 C ARG A 51 -3.654 6.712 -8.894 1.00 0.00 C ATOM 754 O ARG A 51 -3.044 7.359 -8.045 1.00 0.00 O ATOM 755 CB ARG A 51 -2.127 5.527 -10.470 1.00 0.00 C ATOM 756 CG ARG A 51 -1.512 4.220 -10.943 1.00 0.00 C ATOM 757 CD ARG A 51 -0.286 4.452 -11.814 1.00 0.00 C ATOM 758 NE ARG A 51 -0.626 4.952 -13.142 1.00 0.00 N ATOM 759 CZ ARG A 51 0.163 4.829 -14.207 1.00 0.00 C ATOM 760 NH1 ARG A 51 1.359 4.263 -14.099 1.00 0.00 N ATOM 761 NH2 ARG A 51 -0.240 5.282 -15.384 1.00 0.00 N ATOM 0 H ARG A 51 -4.331 4.349 -10.765 1.00 0.00 H new ATOM 0 HA ARG A 51 -2.652 4.853 -8.511 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -2.611 6.018 -11.314 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -1.332 6.190 -10.128 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -1.235 3.616 -10.079 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -2.254 3.652 -11.504 1.00 0.00 H new ATOM 0 HD2 ARG A 51 0.376 5.164 -11.321 1.00 0.00 H new ATOM 0 HD3 ARG A 51 0.267 3.518 -11.912 1.00 0.00 H new ATOM 0 HE ARG A 51 -1.522 5.424 -13.261 1.00 0.00 H new ATOM 0 HH11 ARG A 51 1.680 3.918 -13.194 1.00 0.00 H new ATOM 0 HH12 ARG A 51 1.957 4.173 -14.921 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -1.154 5.725 -15.474 1.00 0.00 H new ATOM 0 HH22 ARG A 51 0.364 5.188 -16.201 1.00 0.00 H new ATOM 775 N GLN A 52 -4.791 7.123 -9.441 1.00 0.00 N ATOM 776 CA GLN A 52 -5.384 8.408 -9.103 1.00 0.00 C ATOM 777 C GLN A 52 -5.891 8.371 -7.673 1.00 0.00 C ATOM 778 O GLN A 52 -5.775 9.347 -6.929 1.00 0.00 O ATOM 779 CB GLN A 52 -6.535 8.730 -10.061 1.00 0.00 C ATOM 780 CG GLN A 52 -7.290 10.008 -9.726 1.00 0.00 C ATOM 781 CD GLN A 52 -6.436 11.255 -9.851 1.00 0.00 C ATOM 782 OE1 GLN A 52 -6.355 11.861 -10.918 1.00 0.00 O ATOM 783 NE2 GLN A 52 -5.804 11.654 -8.757 1.00 0.00 N ATOM 0 H GLN A 52 -5.322 6.582 -10.123 1.00 0.00 H new ATOM 0 HA GLN A 52 -4.627 9.187 -9.197 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -6.138 8.811 -11.073 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -7.237 7.896 -10.060 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -8.152 10.098 -10.387 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -7.675 9.939 -8.709 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -5.898 11.123 -7.891 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -5.224 12.493 -8.780 1.00 0.00 H new ATOM 792 N ALA A 53 -6.443 7.225 -7.298 1.00 0.00 N ATOM 793 CA ALA A 53 -6.923 7.006 -5.948 1.00 0.00 C ATOM 794 C ALA A 53 -5.775 7.124 -4.948 1.00 0.00 C ATOM 795 O ALA A 53 -5.911 7.762 -3.911 1.00 0.00 O ATOM 796 CB ALA A 53 -7.600 5.648 -5.847 1.00 0.00 C ATOM 0 H ALA A 53 -6.569 6.427 -7.921 1.00 0.00 H new ATOM 0 HA ALA A 53 -7.659 7.773 -5.706 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -7.957 5.494 -4.829 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -8.443 5.610 -6.537 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -6.886 4.865 -6.103 1.00 0.00 H new ATOM 802 N LEU A 54 -4.627 6.544 -5.286 1.00 0.00 N ATOM 803 CA LEU A 54 -3.441 6.652 -4.441 1.00 0.00 C ATOM 804 C LEU A 54 -2.992 8.101 -4.322 1.00 0.00 C ATOM 805 O LEU A 54 -2.731 8.595 -3.229 1.00 0.00 O ATOM 806 CB LEU A 54 -2.293 5.811 -5.004 1.00 0.00 C ATOM 807 CG LEU A 54 -2.394 4.314 -4.736 1.00 0.00 C ATOM 808 CD1 LEU A 54 -1.232 3.575 -5.380 1.00 0.00 C ATOM 809 CD2 LEU A 54 -2.431 4.057 -3.240 1.00 0.00 C ATOM 0 H LEU A 54 -4.492 5.996 -6.136 1.00 0.00 H new ATOM 0 HA LEU A 54 -3.706 6.278 -3.452 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -2.243 5.969 -6.081 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.356 6.177 -4.584 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.317 3.940 -5.178 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -1.322 2.508 -5.177 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -1.247 3.742 -6.457 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -0.293 3.944 -4.968 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -2.503 2.985 -3.057 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -1.520 4.443 -2.782 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -3.296 4.558 -2.806 1.00 0.00 H new ATOM 821 N VAL A 55 -2.933 8.775 -5.457 1.00 0.00 N ATOM 822 CA VAL A 55 -2.462 10.150 -5.518 1.00 0.00 C ATOM 823 C VAL A 55 -3.309 11.070 -4.639 1.00 0.00 C ATOM 824 O VAL A 55 -2.772 11.904 -3.908 1.00 0.00 O ATOM 825 CB VAL A 55 -2.441 10.656 -6.981 1.00 0.00 C ATOM 826 CG1 VAL A 55 -2.291 12.169 -7.041 1.00 0.00 C ATOM 827 CG2 VAL A 55 -1.310 9.984 -7.743 1.00 0.00 C ATOM 0 H VAL A 55 -3.209 8.388 -6.360 1.00 0.00 H new ATOM 0 HA VAL A 55 -1.443 10.169 -5.131 1.00 0.00 H new ATOM 0 HB VAL A 55 -3.393 10.397 -7.445 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -2.280 12.493 -8.082 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -3.128 12.638 -6.524 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -1.358 12.461 -6.560 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.300 10.344 -8.772 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -0.359 10.221 -7.266 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.459 8.904 -7.738 1.00 0.00 H new ATOM 837 N ARG A 56 -4.626 10.902 -4.686 1.00 0.00 N ATOM 838 CA ARG A 56 -5.504 11.709 -3.851 1.00 0.00 C ATOM 839 C ARG A 56 -5.424 11.269 -2.387 1.00 0.00 C ATOM 840 O ARG A 56 -5.318 12.107 -1.495 1.00 0.00 O ATOM 841 CB ARG A 56 -6.959 11.674 -4.341 1.00 0.00 C ATOM 842 CG ARG A 56 -7.572 10.287 -4.388 1.00 0.00 C ATOM 843 CD ARG A 56 -9.064 10.333 -4.127 1.00 0.00 C ATOM 844 NE ARG A 56 -9.683 9.015 -4.249 1.00 0.00 N ATOM 845 CZ ARG A 56 -10.117 8.298 -3.214 1.00 0.00 C ATOM 846 NH1 ARG A 56 -10.024 8.779 -1.984 1.00 0.00 N ATOM 847 NH2 ARG A 56 -10.659 7.107 -3.408 1.00 0.00 N ATOM 0 H ARG A 56 -5.102 10.226 -5.283 1.00 0.00 H new ATOM 0 HA ARG A 56 -5.156 12.739 -3.927 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -7.564 12.303 -3.689 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -7.004 12.112 -5.338 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -7.385 9.838 -5.364 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -7.091 9.649 -3.646 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -9.245 10.727 -3.127 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -9.534 11.020 -4.830 1.00 0.00 H new ATOM 0 HE ARG A 56 -9.789 8.620 -5.183 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -9.619 9.702 -1.827 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -10.358 8.227 -1.194 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -10.746 6.734 -4.353 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -10.990 6.562 -2.612 1.00 0.00 H new ATOM 861 N GLU A 57 -5.454 9.958 -2.144 1.00 0.00 N ATOM 862 CA GLU A 57 -5.431 9.438 -0.778 1.00 0.00 C ATOM 863 C GLU A 57 -4.156 9.840 -0.045 1.00 0.00 C ATOM 864 O GLU A 57 -4.209 10.244 1.109 1.00 0.00 O ATOM 865 CB GLU A 57 -5.587 7.914 -0.754 1.00 0.00 C ATOM 866 CG GLU A 57 -7.006 7.433 -1.035 1.00 0.00 C ATOM 867 CD GLU A 57 -7.988 7.779 0.073 1.00 0.00 C ATOM 868 OE1 GLU A 57 -8.088 8.968 0.438 1.00 0.00 O ATOM 869 OE2 GLU A 57 -8.680 6.859 0.568 1.00 0.00 O ATOM 0 H GLU A 57 -5.494 9.242 -2.870 1.00 0.00 H new ATOM 0 HA GLU A 57 -6.281 9.882 -0.260 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -4.913 7.478 -1.492 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -5.274 7.542 0.222 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -7.353 7.873 -1.970 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -6.995 6.352 -1.177 1.00 0.00 H new ATOM 876 N LEU A 58 -3.011 9.751 -0.713 1.00 0.00 N ATOM 877 CA LEU A 58 -1.746 10.100 -0.070 1.00 0.00 C ATOM 878 C LEU A 58 -1.681 11.593 0.206 1.00 0.00 C ATOM 879 O LEU A 58 -1.061 12.018 1.171 1.00 0.00 O ATOM 880 CB LEU A 58 -0.542 9.692 -0.915 1.00 0.00 C ATOM 881 CG LEU A 58 -0.514 8.230 -1.359 1.00 0.00 C ATOM 882 CD1 LEU A 58 0.749 7.936 -2.152 1.00 0.00 C ATOM 883 CD2 LEU A 58 -0.626 7.297 -0.165 1.00 0.00 C ATOM 0 H LEU A 58 -2.930 9.446 -1.683 1.00 0.00 H new ATOM 0 HA LEU A 58 -1.707 9.549 0.870 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.513 10.324 -1.803 1.00 0.00 H new ATOM 0 HB3 LEU A 58 0.365 9.898 -0.347 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.375 8.056 -2.005 1.00 0.00 H new ATOM 0 HD11 LEU A 58 0.751 6.890 -2.459 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.781 8.574 -3.035 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.623 8.133 -1.531 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -0.604 6.263 -0.508 1.00 0.00 H new ATOM 0 HD22 LEU A 58 0.209 7.472 0.513 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -1.564 7.486 0.358 1.00 0.00 H new ATOM 895 N ARG A 59 -2.296 12.395 -0.651 1.00 0.00 N ATOM 896 CA ARG A 59 -2.352 13.832 -0.417 1.00 0.00 C ATOM 897 C ARG A 59 -3.181 14.150 0.820 1.00 0.00 C ATOM 898 O ARG A 59 -2.870 15.069 1.578 1.00 0.00 O ATOM 899 CB ARG A 59 -2.923 14.557 -1.636 1.00 0.00 C ATOM 900 CG ARG A 59 -3.129 16.039 -1.397 1.00 0.00 C ATOM 901 CD ARG A 59 -3.316 16.803 -2.691 1.00 0.00 C ATOM 902 NE ARG A 59 -3.182 18.242 -2.479 1.00 0.00 N ATOM 903 CZ ARG A 59 -2.628 19.078 -3.353 1.00 0.00 C ATOM 904 NH1 ARG A 59 -2.194 18.627 -4.525 1.00 0.00 N ATOM 905 NH2 ARG A 59 -2.507 20.364 -3.049 1.00 0.00 N ATOM 0 H ARG A 59 -2.758 12.081 -1.505 1.00 0.00 H new ATOM 0 HA ARG A 59 -1.334 14.183 -0.249 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -2.249 14.421 -2.482 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -3.875 14.102 -1.910 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -4.002 16.185 -0.760 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -2.271 16.442 -0.859 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -2.579 16.470 -3.422 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -4.300 16.584 -3.107 1.00 0.00 H new ATOM 0 HE ARG A 59 -3.536 18.631 -1.605 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -2.285 17.638 -4.756 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -1.770 19.270 -5.193 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -2.838 20.708 -2.148 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -2.083 21.008 -3.716 1.00 0.00 H new ATOM 919 N GLU A 60 -4.219 13.370 1.031 1.00 0.00 N ATOM 920 CA GLU A 60 -5.134 13.599 2.133 1.00 0.00 C ATOM 921 C GLU A 60 -4.643 12.918 3.405 1.00 0.00 C ATOM 922 O GLU A 60 -4.842 13.426 4.508 1.00 0.00 O ATOM 923 CB GLU A 60 -6.520 13.100 1.745 1.00 0.00 C ATOM 924 CG GLU A 60 -7.087 13.835 0.542 1.00 0.00 C ATOM 925 CD GLU A 60 -8.082 14.911 0.927 1.00 0.00 C ATOM 926 OE1 GLU A 60 -7.650 16.023 1.303 1.00 0.00 O ATOM 927 OE2 GLU A 60 -9.302 14.654 0.849 1.00 0.00 O ATOM 0 H GLU A 60 -4.453 12.565 0.450 1.00 0.00 H new ATOM 0 HA GLU A 60 -5.183 14.668 2.339 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -6.470 12.034 1.525 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -7.196 13.220 2.592 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -6.270 14.287 -0.020 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -7.572 13.118 -0.121 1.00 0.00 H new ATOM 934 N GLU A 61 -4.003 11.768 3.251 1.00 0.00 N ATOM 935 CA GLU A 61 -3.463 11.039 4.388 1.00 0.00 C ATOM 936 C GLU A 61 -2.052 11.472 4.735 1.00 0.00 C ATOM 937 O GLU A 61 -1.776 11.810 5.883 1.00 0.00 O ATOM 938 CB GLU A 61 -3.477 9.535 4.129 1.00 0.00 C ATOM 939 CG GLU A 61 -4.843 8.933 4.282 1.00 0.00 C ATOM 940 CD GLU A 61 -5.294 9.076 5.705 1.00 0.00 C ATOM 941 OE1 GLU A 61 -4.459 8.823 6.610 1.00 0.00 O ATOM 942 OE2 GLU A 61 -6.446 9.490 5.931 1.00 0.00 O ATOM 0 H GLU A 61 -3.845 11.320 2.349 1.00 0.00 H new ATOM 0 HA GLU A 61 -4.108 11.272 5.235 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -3.110 9.341 3.121 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -2.789 9.045 4.819 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -5.548 9.428 3.614 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -4.822 7.880 4.000 1.00 0.00 H new ATOM 949 N LEU A 62 -1.168 11.475 3.746 1.00 0.00 N ATOM 950 CA LEU A 62 0.248 11.692 4.002 1.00 0.00 C ATOM 951 C LEU A 62 0.674 13.108 3.654 1.00 0.00 C ATOM 952 O LEU A 62 1.857 13.433 3.738 1.00 0.00 O ATOM 953 CB LEU A 62 1.091 10.699 3.199 1.00 0.00 C ATOM 954 CG LEU A 62 0.748 9.224 3.406 1.00 0.00 C ATOM 955 CD1 LEU A 62 1.731 8.348 2.651 1.00 0.00 C ATOM 956 CD2 LEU A 62 0.746 8.869 4.887 1.00 0.00 C ATOM 0 H LEU A 62 -1.405 11.330 2.765 1.00 0.00 H new ATOM 0 HA LEU A 62 0.411 11.538 5.069 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.985 10.933 2.140 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.140 10.849 3.455 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.254 9.046 3.015 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.477 7.299 2.806 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.682 8.580 1.587 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.740 8.535 3.017 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.499 7.814 5.008 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.733 9.062 5.309 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.005 9.477 5.406 1.00 0.00 H new ATOM 968 N GLY A 63 -0.286 13.957 3.295 1.00 0.00 N ATOM 969 CA GLY A 63 0.022 15.311 2.869 1.00 0.00 C ATOM 970 C GLY A 63 0.999 15.402 1.710 1.00 0.00 C ATOM 971 O GLY A 63 1.634 16.442 1.526 1.00 0.00 O ATOM 0 H GLY A 63 -1.280 13.728 3.292 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -0.905 15.808 2.585 1.00 0.00 H new ATOM 0 HA3 GLY A 63 0.432 15.860 3.717 1.00 0.00 H new ATOM 975 N ILE A 64 1.126 14.341 0.918 1.00 0.00 N ATOM 976 CA ILE A 64 2.082 14.354 -0.181 1.00 0.00 C ATOM 977 C ILE A 64 1.419 14.084 -1.525 1.00 0.00 C ATOM 978 O ILE A 64 0.504 13.270 -1.638 1.00 0.00 O ATOM 979 CB ILE A 64 3.234 13.340 0.022 1.00 0.00 C ATOM 980 CG1 ILE A 64 2.715 11.895 0.027 1.00 0.00 C ATOM 981 CG2 ILE A 64 3.987 13.645 1.307 1.00 0.00 C ATOM 982 CD1 ILE A 64 3.818 10.860 0.122 1.00 0.00 C ATOM 0 H ILE A 64 0.590 13.478 1.014 1.00 0.00 H new ATOM 0 HA ILE A 64 2.498 15.361 -0.185 1.00 0.00 H new ATOM 0 HB ILE A 64 3.921 13.440 -0.818 1.00 0.00 H new ATOM 0 HG12 ILE A 64 2.032 11.765 0.866 1.00 0.00 H new ATOM 0 HG13 ILE A 64 2.140 11.720 -0.882 1.00 0.00 H new ATOM 0 HG21 ILE A 64 4.794 12.924 1.436 1.00 0.00 H new ATOM 0 HG22 ILE A 64 4.404 14.651 1.254 1.00 0.00 H new ATOM 0 HG23 ILE A 64 3.303 13.580 2.154 1.00 0.00 H new ATOM 0 HD11 ILE A 64 3.381 9.861 0.121 1.00 0.00 H new ATOM 0 HD12 ILE A 64 4.489 10.964 -0.731 1.00 0.00 H new ATOM 0 HD13 ILE A 64 4.379 11.009 1.045 1.00 0.00 H new ATOM 994 N GLU A 65 1.900 14.782 -2.536 1.00 0.00 N ATOM 995 CA GLU A 65 1.473 14.567 -3.905 1.00 0.00 C ATOM 996 C GLU A 65 2.373 13.515 -4.535 1.00 0.00 C ATOM 997 O GLU A 65 3.521 13.794 -4.873 1.00 0.00 O ATOM 998 CB GLU A 65 1.567 15.876 -4.692 1.00 0.00 C ATOM 999 CG GLU A 65 0.758 17.012 -4.085 1.00 0.00 C ATOM 1000 CD GLU A 65 1.107 18.354 -4.690 1.00 0.00 C ATOM 1001 OE1 GLU A 65 0.481 18.743 -5.695 1.00 0.00 O ATOM 1002 OE2 GLU A 65 2.020 19.025 -4.161 1.00 0.00 O ATOM 0 H GLU A 65 2.600 15.516 -2.430 1.00 0.00 H new ATOM 0 HA GLU A 65 0.438 14.226 -3.922 1.00 0.00 H new ATOM 0 HB2 GLU A 65 2.612 16.178 -4.754 1.00 0.00 H new ATOM 0 HB3 GLU A 65 1.225 15.702 -5.712 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -0.304 16.816 -4.230 1.00 0.00 H new ATOM 0 HG3 GLU A 65 0.932 17.045 -3.010 1.00 0.00 H new ATOM 1009 N ALA A 66 1.869 12.302 -4.660 1.00 0.00 N ATOM 1010 CA ALA A 66 2.688 11.201 -5.134 1.00 0.00 C ATOM 1011 C ALA A 66 2.556 11.009 -6.634 1.00 0.00 C ATOM 1012 O ALA A 66 1.540 11.360 -7.232 1.00 0.00 O ATOM 1013 CB ALA A 66 2.320 9.920 -4.410 1.00 0.00 C ATOM 0 H ALA A 66 0.904 12.054 -4.442 1.00 0.00 H new ATOM 0 HA ALA A 66 3.728 11.448 -4.920 1.00 0.00 H new ATOM 0 HB1 ALA A 66 2.942 9.103 -4.776 1.00 0.00 H new ATOM 0 HB2 ALA A 66 2.482 10.048 -3.340 1.00 0.00 H new ATOM 0 HB3 ALA A 66 1.271 9.687 -4.593 1.00 0.00 H new ATOM 1019 N THR A 67 3.599 10.458 -7.228 1.00 0.00 N ATOM 1020 CA THR A 67 3.590 10.093 -8.630 1.00 0.00 C ATOM 1021 C THR A 67 3.703 8.575 -8.750 1.00 0.00 C ATOM 1022 O THR A 67 4.770 8.002 -8.527 1.00 0.00 O ATOM 1023 CB THR A 67 4.750 10.772 -9.388 1.00 0.00 C ATOM 1024 OG1 THR A 67 4.726 12.190 -9.151 1.00 0.00 O ATOM 1025 CG2 THR A 67 4.661 10.500 -10.886 1.00 0.00 C ATOM 0 H THR A 67 4.476 10.251 -6.750 1.00 0.00 H new ATOM 0 HA THR A 67 2.656 10.432 -9.077 1.00 0.00 H new ATOM 0 HB THR A 67 5.687 10.355 -9.018 1.00 0.00 H new ATOM 0 HG1 THR A 67 5.523 12.450 -8.644 1.00 0.00 H new ATOM 0 HG21 THR A 67 5.491 10.991 -11.395 1.00 0.00 H new ATOM 0 HG22 THR A 67 4.710 9.426 -11.064 1.00 0.00 H new ATOM 0 HG23 THR A 67 3.718 10.889 -11.271 1.00 0.00 H new ATOM 1033 N VAL A 68 2.591 7.925 -9.060 1.00 0.00 N ATOM 1034 CA VAL A 68 2.538 6.473 -9.087 1.00 0.00 C ATOM 1035 C VAL A 68 3.011 5.948 -10.438 1.00 0.00 C ATOM 1036 O VAL A 68 2.500 6.358 -11.480 1.00 0.00 O ATOM 1037 CB VAL A 68 1.114 5.961 -8.806 1.00 0.00 C ATOM 1038 CG1 VAL A 68 1.129 4.466 -8.556 1.00 0.00 C ATOM 1039 CG2 VAL A 68 0.491 6.694 -7.627 1.00 0.00 C ATOM 0 H VAL A 68 1.711 8.383 -9.297 1.00 0.00 H new ATOM 0 HA VAL A 68 3.200 6.104 -8.303 1.00 0.00 H new ATOM 0 HB VAL A 68 0.503 6.161 -9.686 1.00 0.00 H new ATOM 0 HG11 VAL A 68 0.114 4.120 -8.359 1.00 0.00 H new ATOM 0 HG12 VAL A 68 1.523 3.954 -9.434 1.00 0.00 H new ATOM 0 HG13 VAL A 68 1.761 4.247 -7.695 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -0.515 6.312 -7.451 1.00 0.00 H new ATOM 0 HG22 VAL A 68 1.100 6.536 -6.737 1.00 0.00 H new ATOM 0 HG23 VAL A 68 0.441 7.760 -7.847 1.00 0.00 H new ATOM 1049 N GLY A 69 3.976 5.038 -10.423 1.00 0.00 N ATOM 1050 CA GLY A 69 4.574 4.592 -11.666 1.00 0.00 C ATOM 1051 C GLY A 69 4.601 3.086 -11.823 1.00 0.00 C ATOM 1052 O GLY A 69 3.700 2.499 -12.423 1.00 0.00 O ATOM 0 H GLY A 69 4.353 4.604 -9.580 1.00 0.00 H new ATOM 0 HA2 GLY A 69 4.022 5.026 -12.500 1.00 0.00 H new ATOM 0 HA3 GLY A 69 5.594 4.973 -11.726 1.00 0.00 H new ATOM 1056 N GLU A 70 5.630 2.469 -11.264 1.00 0.00 N ATOM 1057 CA GLU A 70 5.917 1.060 -11.504 1.00 0.00 C ATOM 1058 C GLU A 70 5.104 0.143 -10.586 1.00 0.00 C ATOM 1059 O GLU A 70 5.037 0.341 -9.369 1.00 0.00 O ATOM 1060 CB GLU A 70 7.423 0.811 -11.354 1.00 0.00 C ATOM 1061 CG GLU A 70 8.000 1.340 -10.051 1.00 0.00 C ATOM 1062 CD GLU A 70 9.509 1.434 -10.061 1.00 0.00 C ATOM 1063 OE1 GLU A 70 10.040 2.404 -10.646 1.00 0.00 O ATOM 1064 OE2 GLU A 70 10.165 0.573 -9.450 1.00 0.00 O ATOM 0 H GLU A 70 6.288 2.927 -10.634 1.00 0.00 H new ATOM 0 HA GLU A 70 5.617 0.817 -12.523 1.00 0.00 H new ATOM 0 HB2 GLU A 70 7.614 -0.260 -11.418 1.00 0.00 H new ATOM 0 HB3 GLU A 70 7.945 1.278 -12.189 1.00 0.00 H new ATOM 0 HG2 GLU A 70 7.583 2.327 -9.851 1.00 0.00 H new ATOM 0 HG3 GLU A 70 7.689 0.690 -9.233 1.00 0.00 H new ATOM 1071 N TYR A 71 4.470 -0.846 -11.203 1.00 0.00 N ATOM 1072 CA TYR A 71 3.621 -1.809 -10.506 1.00 0.00 C ATOM 1073 C TYR A 71 4.455 -2.886 -9.810 1.00 0.00 C ATOM 1074 O TYR A 71 5.360 -3.464 -10.412 1.00 0.00 O ATOM 1075 CB TYR A 71 2.663 -2.433 -11.529 1.00 0.00 C ATOM 1076 CG TYR A 71 1.825 -3.584 -11.016 1.00 0.00 C ATOM 1077 CD1 TYR A 71 0.769 -3.374 -10.137 1.00 0.00 C ATOM 1078 CD2 TYR A 71 2.080 -4.884 -11.438 1.00 0.00 C ATOM 1079 CE1 TYR A 71 -0.004 -4.430 -9.690 1.00 0.00 C ATOM 1080 CE2 TYR A 71 1.310 -5.941 -11.000 1.00 0.00 C ATOM 1081 CZ TYR A 71 0.270 -5.710 -10.128 1.00 0.00 C ATOM 1082 OH TYR A 71 -0.504 -6.764 -9.699 1.00 0.00 O ATOM 0 H TYR A 71 4.530 -1.005 -12.209 1.00 0.00 H new ATOM 0 HA TYR A 71 3.054 -1.299 -9.728 1.00 0.00 H new ATOM 0 HB2 TYR A 71 1.994 -1.655 -11.897 1.00 0.00 H new ATOM 0 HB3 TYR A 71 3.246 -2.782 -12.381 1.00 0.00 H new ATOM 0 HD1 TYR A 71 0.549 -2.372 -9.798 1.00 0.00 H new ATOM 0 HD2 TYR A 71 2.896 -5.069 -12.121 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -0.818 -4.254 -9.002 1.00 0.00 H new ATOM 0 HE2 TYR A 71 1.522 -6.944 -11.339 1.00 0.00 H new ATOM 0 HH TYR A 71 -0.177 -7.595 -10.102 1.00 0.00 H new ATOM 1092 N VAL A 72 4.153 -3.151 -8.539 1.00 0.00 N ATOM 1093 CA VAL A 72 4.878 -4.170 -7.784 1.00 0.00 C ATOM 1094 C VAL A 72 4.121 -5.492 -7.771 1.00 0.00 C ATOM 1095 O VAL A 72 4.527 -6.457 -8.426 1.00 0.00 O ATOM 1096 CB VAL A 72 5.117 -3.725 -6.325 1.00 0.00 C ATOM 1097 CG1 VAL A 72 5.846 -4.804 -5.533 1.00 0.00 C ATOM 1098 CG2 VAL A 72 5.883 -2.414 -6.289 1.00 0.00 C ATOM 0 H VAL A 72 3.417 -2.678 -8.015 1.00 0.00 H new ATOM 0 HA VAL A 72 5.837 -4.305 -8.284 1.00 0.00 H new ATOM 0 HB VAL A 72 4.146 -3.569 -5.854 1.00 0.00 H new ATOM 0 HG11 VAL A 72 6.000 -4.462 -4.509 1.00 0.00 H new ATOM 0 HG12 VAL A 72 5.249 -5.716 -5.525 1.00 0.00 H new ATOM 0 HG13 VAL A 72 6.811 -5.007 -5.997 1.00 0.00 H new ATOM 0 HG21 VAL A 72 6.043 -2.114 -5.253 1.00 0.00 H new ATOM 0 HG22 VAL A 72 6.846 -2.542 -6.783 1.00 0.00 H new ATOM 0 HG23 VAL A 72 5.310 -1.644 -6.805 1.00 0.00 H new ATOM 1108 N ALA A 73 3.007 -5.527 -7.051 1.00 0.00 N ATOM 1109 CA ALA A 73 2.208 -6.744 -6.953 1.00 0.00 C ATOM 1110 C ALA A 73 0.800 -6.449 -6.463 1.00 0.00 C ATOM 1111 O ALA A 73 0.462 -5.303 -6.171 1.00 0.00 O ATOM 1112 CB ALA A 73 2.883 -7.744 -6.025 1.00 0.00 C ATOM 0 H ALA A 73 2.637 -4.733 -6.529 1.00 0.00 H new ATOM 0 HA ALA A 73 2.133 -7.173 -7.952 1.00 0.00 H new ATOM 0 HB1 ALA A 73 2.277 -8.647 -5.961 1.00 0.00 H new ATOM 0 HB2 ALA A 73 3.869 -7.996 -6.416 1.00 0.00 H new ATOM 0 HB3 ALA A 73 2.988 -7.306 -5.032 1.00 0.00 H new ATOM 1118 N SER A 74 -0.015 -7.490 -6.372 1.00 0.00 N ATOM 1119 CA SER A 74 -1.377 -7.359 -5.895 1.00 0.00 C ATOM 1120 C SER A 74 -1.755 -8.600 -5.090 1.00 0.00 C ATOM 1121 O SER A 74 -1.203 -9.677 -5.315 1.00 0.00 O ATOM 1122 CB SER A 74 -2.339 -7.168 -7.074 1.00 0.00 C ATOM 1123 OG SER A 74 -3.614 -6.734 -6.631 1.00 0.00 O ATOM 0 H SER A 74 0.250 -8.442 -6.626 1.00 0.00 H new ATOM 0 HA SER A 74 -1.450 -6.482 -5.252 1.00 0.00 H new ATOM 0 HB2 SER A 74 -1.925 -6.438 -7.770 1.00 0.00 H new ATOM 0 HB3 SER A 74 -2.441 -8.106 -7.619 1.00 0.00 H new ATOM 0 HG SER A 74 -3.565 -6.487 -5.684 1.00 0.00 H new ATOM 1129 N HIS A 75 -2.673 -8.446 -4.146 1.00 0.00 N ATOM 1130 CA HIS A 75 -3.100 -9.562 -3.315 1.00 0.00 C ATOM 1131 C HIS A 75 -4.618 -9.578 -3.177 1.00 0.00 C ATOM 1132 O HIS A 75 -5.249 -8.529 -3.036 1.00 0.00 O ATOM 1133 CB HIS A 75 -2.450 -9.482 -1.927 1.00 0.00 C ATOM 1134 CG HIS A 75 -2.763 -10.661 -1.049 1.00 0.00 C ATOM 1135 ND1 HIS A 75 -3.429 -10.551 0.153 1.00 0.00 N ATOM 1136 CD2 HIS A 75 -2.501 -11.980 -1.208 1.00 0.00 C ATOM 1137 CE1 HIS A 75 -3.560 -11.751 0.692 1.00 0.00 C ATOM 1138 NE2 HIS A 75 -3.007 -12.639 -0.115 1.00 0.00 N ATOM 0 H HIS A 75 -3.135 -7.561 -3.937 1.00 0.00 H new ATOM 0 HA HIS A 75 -2.781 -10.485 -3.799 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -1.369 -9.404 -2.045 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -2.783 -8.571 -1.430 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -1.987 -12.432 -2.043 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -4.039 -11.969 1.635 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -2.963 -13.645 0.047 1.00 0.00 H new ATOM 1147 N GLN A 76 -5.194 -10.769 -3.236 1.00 0.00 N ATOM 1148 CA GLN A 76 -6.611 -10.952 -2.977 1.00 0.00 C ATOM 1149 C GLN A 76 -6.827 -11.488 -1.574 1.00 0.00 C ATOM 1150 O GLN A 76 -6.063 -12.324 -1.094 1.00 0.00 O ATOM 1151 CB GLN A 76 -7.247 -11.914 -3.981 1.00 0.00 C ATOM 1152 CG GLN A 76 -7.651 -11.262 -5.290 1.00 0.00 C ATOM 1153 CD GLN A 76 -8.466 -12.189 -6.169 1.00 0.00 C ATOM 1154 OE1 GLN A 76 -9.193 -13.050 -5.675 1.00 0.00 O ATOM 1155 NE2 GLN A 76 -8.355 -12.024 -7.474 1.00 0.00 N ATOM 0 H GLN A 76 -4.695 -11.629 -3.463 1.00 0.00 H new ATOM 0 HA GLN A 76 -7.087 -9.977 -3.079 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -6.545 -12.721 -4.190 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -8.127 -12.368 -3.526 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -8.229 -10.362 -5.081 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -6.756 -10.949 -5.828 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -7.742 -11.299 -7.846 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -8.883 -12.622 -8.110 1.00 0.00 H new ATOM 1164 N ARG A 77 -7.854 -10.984 -0.924 1.00 0.00 N ATOM 1165 CA ARG A 77 -8.264 -11.469 0.385 1.00 0.00 C ATOM 1166 C ARG A 77 -9.713 -11.087 0.592 1.00 0.00 C ATOM 1167 O ARG A 77 -10.288 -10.411 -0.251 1.00 0.00 O ATOM 1168 CB ARG A 77 -7.401 -10.880 1.502 1.00 0.00 C ATOM 1169 CG ARG A 77 -7.642 -9.401 1.759 1.00 0.00 C ATOM 1170 CD ARG A 77 -6.943 -8.942 3.027 1.00 0.00 C ATOM 1171 NE ARG A 77 -7.339 -9.741 4.185 1.00 0.00 N ATOM 1172 CZ ARG A 77 -7.488 -9.261 5.420 1.00 0.00 C ATOM 1173 NH1 ARG A 77 -7.289 -7.972 5.671 1.00 0.00 N ATOM 1174 NH2 ARG A 77 -7.841 -10.073 6.404 1.00 0.00 N ATOM 0 H ARG A 77 -8.432 -10.225 -1.285 1.00 0.00 H new ATOM 0 HA ARG A 77 -8.139 -12.551 0.421 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -7.590 -11.433 2.422 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -6.351 -11.028 1.251 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -7.282 -8.819 0.911 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -8.713 -9.214 1.843 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -5.864 -9.009 2.891 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -7.177 -7.894 3.212 1.00 0.00 H new ATOM 0 HE ARG A 77 -7.514 -10.735 4.038 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -7.020 -7.341 4.916 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -7.405 -7.613 6.619 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -7.998 -11.063 6.217 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -7.956 -9.708 7.350 1.00 0.00 H new ATOM 1188 N GLU A 78 -10.320 -11.509 1.683 1.00 0.00 N ATOM 1189 CA GLU A 78 -11.691 -11.118 1.937 1.00 0.00 C ATOM 1190 C GLU A 78 -11.802 -10.318 3.230 1.00 0.00 C ATOM 1191 O GLU A 78 -11.005 -10.486 4.156 1.00 0.00 O ATOM 1192 CB GLU A 78 -12.616 -12.336 1.990 1.00 0.00 C ATOM 1193 CG GLU A 78 -12.575 -13.079 3.312 1.00 0.00 C ATOM 1194 CD GLU A 78 -13.655 -14.128 3.418 1.00 0.00 C ATOM 1195 OE1 GLU A 78 -14.802 -13.766 3.754 1.00 0.00 O ATOM 1196 OE2 GLU A 78 -13.361 -15.314 3.167 1.00 0.00 O ATOM 0 H GLU A 78 -9.898 -12.108 2.392 1.00 0.00 H new ATOM 0 HA GLU A 78 -12.007 -10.484 1.108 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -13.639 -12.012 1.797 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -12.343 -13.023 1.189 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -11.600 -13.552 3.429 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -12.684 -12.366 4.129 1.00 0.00 H new ATOM 1203 N VAL A 79 -12.779 -9.432 3.266 1.00 0.00 N ATOM 1204 CA VAL A 79 -13.141 -8.741 4.484 1.00 0.00 C ATOM 1205 C VAL A 79 -14.600 -9.048 4.810 1.00 0.00 C ATOM 1206 O VAL A 79 -15.518 -8.419 4.280 1.00 0.00 O ATOM 1207 CB VAL A 79 -12.901 -7.209 4.410 1.00 0.00 C ATOM 1208 CG1 VAL A 79 -13.539 -6.587 3.176 1.00 0.00 C ATOM 1209 CG2 VAL A 79 -13.409 -6.523 5.668 1.00 0.00 C ATOM 0 H VAL A 79 -13.340 -9.173 2.455 1.00 0.00 H new ATOM 0 HA VAL A 79 -12.492 -9.104 5.281 1.00 0.00 H new ATOM 0 HB VAL A 79 -11.824 -7.058 4.334 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -13.345 -5.514 3.167 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -13.115 -7.040 2.280 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -14.615 -6.761 3.196 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -13.231 -5.450 5.595 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -14.478 -6.707 5.776 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -12.883 -6.920 6.536 1.00 0.00 H new ATOM 1219 N SER A 80 -14.797 -10.059 5.648 1.00 0.00 N ATOM 1220 CA SER A 80 -16.128 -10.494 6.057 1.00 0.00 C ATOM 1221 C SER A 80 -17.064 -10.685 4.854 1.00 0.00 C ATOM 1222 O SER A 80 -18.096 -10.021 4.745 1.00 0.00 O ATOM 1223 CB SER A 80 -16.716 -9.486 7.050 1.00 0.00 C ATOM 1224 OG SER A 80 -15.832 -9.287 8.144 1.00 0.00 O ATOM 0 H SER A 80 -14.039 -10.601 6.063 1.00 0.00 H new ATOM 0 HA SER A 80 -16.034 -11.465 6.542 1.00 0.00 H new ATOM 0 HB2 SER A 80 -16.900 -8.537 6.547 1.00 0.00 H new ATOM 0 HB3 SER A 80 -17.679 -9.845 7.414 1.00 0.00 H new ATOM 0 HG SER A 80 -16.223 -8.639 8.767 1.00 0.00 H new ATOM 1230 N GLY A 81 -16.699 -11.594 3.948 1.00 0.00 N ATOM 1231 CA GLY A 81 -17.548 -11.882 2.803 1.00 0.00 C ATOM 1232 C GLY A 81 -17.267 -11.018 1.582 1.00 0.00 C ATOM 1233 O GLY A 81 -17.766 -11.304 0.493 1.00 0.00 O ATOM 0 H GLY A 81 -15.834 -12.133 3.987 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -17.425 -12.930 2.528 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -18.590 -11.750 3.095 1.00 0.00 H new ATOM 1237 N ARG A 82 -16.489 -9.957 1.744 1.00 0.00 N ATOM 1238 CA ARG A 82 -16.181 -9.072 0.622 1.00 0.00 C ATOM 1239 C ARG A 82 -14.776 -9.342 0.107 1.00 0.00 C ATOM 1240 O ARG A 82 -13.841 -9.437 0.887 1.00 0.00 O ATOM 1241 CB ARG A 82 -16.300 -7.609 1.040 1.00 0.00 C ATOM 1242 CG ARG A 82 -17.579 -7.291 1.786 1.00 0.00 C ATOM 1243 CD ARG A 82 -17.636 -5.827 2.172 1.00 0.00 C ATOM 1244 NE ARG A 82 -18.712 -5.559 3.121 1.00 0.00 N ATOM 1245 CZ ARG A 82 -19.041 -4.347 3.557 1.00 0.00 C ATOM 1246 NH1 ARG A 82 -18.418 -3.272 3.090 1.00 0.00 N ATOM 1247 NH2 ARG A 82 -20.003 -4.215 4.462 1.00 0.00 N ATOM 0 H ARG A 82 -16.062 -9.687 2.630 1.00 0.00 H new ATOM 0 HA ARG A 82 -16.900 -9.271 -0.173 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -15.449 -7.350 1.669 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -16.242 -6.981 0.151 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -18.438 -7.540 1.163 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -17.645 -7.909 2.681 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -16.683 -5.529 2.609 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -17.780 -5.221 1.278 1.00 0.00 H new ATOM 0 HE ARG A 82 -19.246 -6.353 3.473 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -17.681 -3.373 2.392 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -18.676 -2.345 3.429 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -20.485 -5.040 4.818 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -20.261 -3.288 4.801 1.00 0.00 H new ATOM 1261 N ILE A 83 -14.625 -9.437 -1.201 1.00 0.00 N ATOM 1262 CA ILE A 83 -13.344 -9.816 -1.789 1.00 0.00 C ATOM 1263 C ILE A 83 -12.521 -8.579 -2.140 1.00 0.00 C ATOM 1264 O ILE A 83 -12.868 -7.821 -3.045 1.00 0.00 O ATOM 1265 CB ILE A 83 -13.523 -10.715 -3.043 1.00 0.00 C ATOM 1266 CG1 ILE A 83 -13.943 -12.140 -2.644 1.00 0.00 C ATOM 1267 CG2 ILE A 83 -12.241 -10.764 -3.870 1.00 0.00 C ATOM 1268 CD1 ILE A 83 -15.326 -12.251 -2.034 1.00 0.00 C ATOM 0 H ILE A 83 -15.367 -9.259 -1.878 1.00 0.00 H new ATOM 0 HA ILE A 83 -12.807 -10.397 -1.039 1.00 0.00 H new ATOM 0 HB ILE A 83 -14.313 -10.275 -3.651 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -13.900 -12.777 -3.528 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -13.216 -12.532 -1.933 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -12.394 -11.400 -4.742 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -11.980 -9.757 -4.197 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -11.432 -11.169 -3.263 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -15.532 -13.292 -1.786 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -15.374 -11.646 -1.129 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -16.068 -11.895 -2.748 1.00 0.00 H new ATOM 1280 N ILE A 84 -11.444 -8.372 -1.400 1.00 0.00 N ATOM 1281 CA ILE A 84 -10.576 -7.230 -1.621 1.00 0.00 C ATOM 1282 C ILE A 84 -9.409 -7.578 -2.535 1.00 0.00 C ATOM 1283 O ILE A 84 -8.834 -8.667 -2.459 1.00 0.00 O ATOM 1284 CB ILE A 84 -9.999 -6.655 -0.311 1.00 0.00 C ATOM 1285 CG1 ILE A 84 -10.558 -7.355 0.918 1.00 0.00 C ATOM 1286 CG2 ILE A 84 -10.296 -5.179 -0.206 1.00 0.00 C ATOM 1287 CD1 ILE A 84 -10.391 -6.522 2.166 1.00 0.00 C ATOM 0 H ILE A 84 -11.150 -8.983 -0.638 1.00 0.00 H new ATOM 0 HA ILE A 84 -11.211 -6.478 -2.090 1.00 0.00 H new ATOM 0 HB ILE A 84 -8.922 -6.821 -0.344 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -11.615 -7.570 0.764 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -10.054 -8.313 1.051 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -9.882 -4.790 0.724 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -9.846 -4.656 -1.050 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -11.375 -5.023 -0.216 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -10.804 -7.059 3.020 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -9.332 -6.329 2.336 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -10.917 -5.575 2.044 1.00 0.00 H new ATOM 1299 N HIS A 85 -9.070 -6.633 -3.392 1.00 0.00 N ATOM 1300 CA HIS A 85 -7.941 -6.766 -4.291 1.00 0.00 C ATOM 1301 C HIS A 85 -6.989 -5.595 -4.076 1.00 0.00 C ATOM 1302 O HIS A 85 -7.220 -4.494 -4.582 1.00 0.00 O ATOM 1303 CB HIS A 85 -8.437 -6.801 -5.740 1.00 0.00 C ATOM 1304 CG HIS A 85 -7.429 -7.300 -6.733 1.00 0.00 C ATOM 1305 ND1 HIS A 85 -6.648 -8.415 -6.524 1.00 0.00 N ATOM 1306 CD2 HIS A 85 -7.101 -6.844 -7.965 1.00 0.00 C ATOM 1307 CE1 HIS A 85 -5.887 -8.621 -7.583 1.00 0.00 C ATOM 1308 NE2 HIS A 85 -6.143 -7.683 -8.472 1.00 0.00 N ATOM 0 H HIS A 85 -9.572 -5.750 -3.484 1.00 0.00 H new ATOM 0 HA HIS A 85 -7.410 -7.696 -4.086 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -9.323 -7.434 -5.792 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -8.746 -5.796 -6.029 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -7.518 -5.978 -8.458 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -5.174 -9.424 -7.701 1.00 0.00 H new ATOM 0 HE2 HIS A 85 -5.701 -7.596 -9.387 1.00 0.00 H new ATOM 1317 N LEU A 86 -5.936 -5.826 -3.302 1.00 0.00 N ATOM 1318 CA LEU A 86 -5.000 -4.765 -2.949 1.00 0.00 C ATOM 1319 C LEU A 86 -3.873 -4.673 -3.962 1.00 0.00 C ATOM 1320 O LEU A 86 -3.221 -5.667 -4.267 1.00 0.00 O ATOM 1321 CB LEU A 86 -4.415 -4.978 -1.549 1.00 0.00 C ATOM 1322 CG LEU A 86 -5.280 -4.477 -0.390 1.00 0.00 C ATOM 1323 CD1 LEU A 86 -6.394 -5.466 -0.072 1.00 0.00 C ATOM 1324 CD2 LEU A 86 -4.416 -4.214 0.834 1.00 0.00 C ATOM 0 H LEU A 86 -5.708 -6.738 -2.907 1.00 0.00 H new ATOM 0 HA LEU A 86 -5.560 -3.830 -2.954 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -4.232 -6.043 -1.409 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -3.447 -4.479 -1.499 1.00 0.00 H new ATOM 0 HG LEU A 86 -5.749 -3.539 -0.689 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -6.993 -5.085 0.755 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -7.027 -5.595 -0.950 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -5.960 -6.426 0.206 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -5.042 -3.858 1.652 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -3.918 -5.136 1.133 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -3.667 -3.459 0.595 1.00 0.00 H new ATOM 1336 N HIS A 87 -3.657 -3.473 -4.478 1.00 0.00 N ATOM 1337 CA HIS A 87 -2.626 -3.231 -5.481 1.00 0.00 C ATOM 1338 C HIS A 87 -1.474 -2.453 -4.865 1.00 0.00 C ATOM 1339 O HIS A 87 -1.661 -1.316 -4.448 1.00 0.00 O ATOM 1340 CB HIS A 87 -3.188 -2.412 -6.647 1.00 0.00 C ATOM 1341 CG HIS A 87 -4.489 -2.904 -7.193 1.00 0.00 C ATOM 1342 ND1 HIS A 87 -5.707 -2.530 -6.668 1.00 0.00 N ATOM 1343 CD2 HIS A 87 -4.764 -3.719 -8.232 1.00 0.00 C ATOM 1344 CE1 HIS A 87 -6.673 -3.090 -7.367 1.00 0.00 C ATOM 1345 NE2 HIS A 87 -6.130 -3.817 -8.322 1.00 0.00 N ATOM 0 H HIS A 87 -4.187 -2.642 -4.216 1.00 0.00 H new ATOM 0 HA HIS A 87 -2.279 -4.198 -5.845 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -3.315 -1.380 -6.319 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -2.453 -2.402 -7.452 1.00 0.00 H new ATOM 0 HD1 HIS A 87 -5.840 -1.916 -5.864 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -4.043 -4.204 -8.874 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -7.732 -2.973 -7.187 1.00 0.00 H new ATOM 1354 N ALA A 88 -0.297 -3.046 -4.808 1.00 0.00 N ATOM 1355 CA ALA A 88 0.866 -2.350 -4.284 1.00 0.00 C ATOM 1356 C ALA A 88 1.650 -1.702 -5.417 1.00 0.00 C ATOM 1357 O ALA A 88 2.207 -2.389 -6.278 1.00 0.00 O ATOM 1358 CB ALA A 88 1.751 -3.297 -3.489 1.00 0.00 C ATOM 0 H ALA A 88 -0.120 -4.002 -5.116 1.00 0.00 H new ATOM 0 HA ALA A 88 0.522 -1.566 -3.609 1.00 0.00 H new ATOM 0 HB1 ALA A 88 2.615 -2.753 -3.107 1.00 0.00 H new ATOM 0 HB2 ALA A 88 1.184 -3.710 -2.655 1.00 0.00 H new ATOM 0 HB3 ALA A 88 2.089 -4.107 -4.135 1.00 0.00 H new ATOM 1364 N TRP A 89 1.669 -0.380 -5.422 1.00 0.00 N ATOM 1365 CA TRP A 89 2.382 0.372 -6.442 1.00 0.00 C ATOM 1366 C TRP A 89 3.568 1.109 -5.839 1.00 0.00 C ATOM 1367 O TRP A 89 3.474 1.673 -4.752 1.00 0.00 O ATOM 1368 CB TRP A 89 1.450 1.375 -7.122 1.00 0.00 C ATOM 1369 CG TRP A 89 1.057 0.989 -8.515 1.00 0.00 C ATOM 1370 CD1 TRP A 89 1.861 0.995 -9.619 1.00 0.00 C ATOM 1371 CD2 TRP A 89 -0.236 0.570 -8.961 1.00 0.00 C ATOM 1372 NE1 TRP A 89 1.150 0.592 -10.722 1.00 0.00 N ATOM 1373 CE2 TRP A 89 -0.140 0.325 -10.345 1.00 0.00 C ATOM 1374 CE3 TRP A 89 -1.464 0.370 -8.326 1.00 0.00 C ATOM 1375 CZ2 TRP A 89 -1.223 -0.106 -11.103 1.00 0.00 C ATOM 1376 CZ3 TRP A 89 -2.540 -0.057 -9.080 1.00 0.00 C ATOM 1377 CH2 TRP A 89 -2.413 -0.292 -10.454 1.00 0.00 C ATOM 0 H TRP A 89 1.196 0.198 -4.727 1.00 0.00 H new ATOM 0 HA TRP A 89 2.746 -0.337 -7.185 1.00 0.00 H new ATOM 0 HB2 TRP A 89 0.549 1.486 -6.518 1.00 0.00 H new ATOM 0 HB3 TRP A 89 1.938 2.349 -7.149 1.00 0.00 H new ATOM 0 HD1 TRP A 89 2.904 1.276 -9.624 1.00 0.00 H new ATOM 0 HE1 TRP A 89 1.521 0.505 -11.668 1.00 0.00 H new ATOM 0 HE3 TRP A 89 -1.570 0.546 -7.266 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 -1.128 -0.287 -12.164 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 -3.495 -0.212 -8.601 1.00 0.00 H new ATOM 0 HH2 TRP A 89 -3.273 -0.628 -11.014 1.00 0.00 H new ATOM 1388 N HIS A 90 4.683 1.099 -6.549 1.00 0.00 N ATOM 1389 CA HIS A 90 5.879 1.802 -6.114 1.00 0.00 C ATOM 1390 C HIS A 90 5.846 3.236 -6.628 1.00 0.00 C ATOM 1391 O HIS A 90 5.854 3.470 -7.839 1.00 0.00 O ATOM 1392 CB HIS A 90 7.122 1.052 -6.627 1.00 0.00 C ATOM 1393 CG HIS A 90 8.441 1.757 -6.451 1.00 0.00 C ATOM 1394 ND1 HIS A 90 9.448 1.281 -5.643 1.00 0.00 N ATOM 1395 CD2 HIS A 90 8.942 2.864 -7.049 1.00 0.00 C ATOM 1396 CE1 HIS A 90 10.505 2.064 -5.755 1.00 0.00 C ATOM 1397 NE2 HIS A 90 10.229 3.033 -6.606 1.00 0.00 N ATOM 0 H HIS A 90 4.786 0.607 -7.437 1.00 0.00 H new ATOM 0 HA HIS A 90 5.921 1.835 -5.025 1.00 0.00 H new ATOM 0 HB2 HIS A 90 7.177 0.090 -6.118 1.00 0.00 H new ATOM 0 HB3 HIS A 90 6.983 0.844 -7.688 1.00 0.00 H new ATOM 0 HD1 HIS A 90 9.387 0.453 -5.050 1.00 0.00 H new ATOM 0 HD2 HIS A 90 8.421 3.500 -7.749 1.00 0.00 H new ATOM 0 HE1 HIS A 90 11.442 1.933 -5.235 1.00 0.00 H new ATOM 1406 N VAL A 91 5.783 4.192 -5.712 1.00 0.00 N ATOM 1407 CA VAL A 91 5.815 5.599 -6.083 1.00 0.00 C ATOM 1408 C VAL A 91 7.247 6.132 -6.014 1.00 0.00 C ATOM 1409 O VAL A 91 7.823 6.268 -4.935 1.00 0.00 O ATOM 1410 CB VAL A 91 4.870 6.458 -5.209 1.00 0.00 C ATOM 1411 CG1 VAL A 91 3.419 6.135 -5.526 1.00 0.00 C ATOM 1412 CG2 VAL A 91 5.137 6.243 -3.729 1.00 0.00 C ATOM 0 H VAL A 91 5.710 4.020 -4.709 1.00 0.00 H new ATOM 0 HA VAL A 91 5.455 5.674 -7.109 1.00 0.00 H new ATOM 0 HB VAL A 91 5.064 7.505 -5.440 1.00 0.00 H new ATOM 0 HG11 VAL A 91 2.766 6.747 -4.904 1.00 0.00 H new ATOM 0 HG12 VAL A 91 3.221 6.346 -6.577 1.00 0.00 H new ATOM 0 HG13 VAL A 91 3.229 5.081 -5.325 1.00 0.00 H new ATOM 0 HG21 VAL A 91 4.457 6.861 -3.143 1.00 0.00 H new ATOM 0 HG22 VAL A 91 4.980 5.194 -3.480 1.00 0.00 H new ATOM 0 HG23 VAL A 91 6.166 6.520 -3.501 1.00 0.00 H new ATOM 1422 N PRO A 92 7.856 6.397 -7.178 1.00 0.00 N ATOM 1423 CA PRO A 92 9.239 6.872 -7.258 1.00 0.00 C ATOM 1424 C PRO A 92 9.372 8.357 -6.925 1.00 0.00 C ATOM 1425 O PRO A 92 10.476 8.854 -6.700 1.00 0.00 O ATOM 1426 CB PRO A 92 9.603 6.612 -8.722 1.00 0.00 C ATOM 1427 CG PRO A 92 8.311 6.725 -9.458 1.00 0.00 C ATOM 1428 CD PRO A 92 7.246 6.243 -8.513 1.00 0.00 C ATOM 0 HA PRO A 92 9.889 6.371 -6.541 1.00 0.00 H new ATOM 0 HB2 PRO A 92 10.330 7.338 -9.084 1.00 0.00 H new ATOM 0 HB3 PRO A 92 10.047 5.625 -8.851 1.00 0.00 H new ATOM 0 HG2 PRO A 92 8.125 7.755 -9.761 1.00 0.00 H new ATOM 0 HG3 PRO A 92 8.327 6.123 -10.367 1.00 0.00 H new ATOM 0 HD2 PRO A 92 6.334 6.833 -8.605 1.00 0.00 H new ATOM 0 HD3 PRO A 92 6.976 5.206 -8.711 1.00 0.00 H new ATOM 1436 N ASP A 93 8.244 9.056 -6.887 1.00 0.00 N ATOM 1437 CA ASP A 93 8.241 10.494 -6.648 1.00 0.00 C ATOM 1438 C ASP A 93 7.096 10.893 -5.730 1.00 0.00 C ATOM 1439 O ASP A 93 5.987 10.360 -5.824 1.00 0.00 O ATOM 1440 CB ASP A 93 8.118 11.243 -7.973 1.00 0.00 C ATOM 1441 CG ASP A 93 7.942 12.740 -7.800 1.00 0.00 C ATOM 1442 OD1 ASP A 93 8.956 13.463 -7.752 1.00 0.00 O ATOM 1443 OD2 ASP A 93 6.781 13.200 -7.739 1.00 0.00 O ATOM 0 H ASP A 93 7.318 8.649 -7.019 1.00 0.00 H new ATOM 0 HA ASP A 93 9.181 10.758 -6.164 1.00 0.00 H new ATOM 0 HB2 ASP A 93 9.009 11.055 -8.573 1.00 0.00 H new ATOM 0 HB3 ASP A 93 7.269 10.846 -8.530 1.00 0.00 H new ATOM 1448 N PHE A 94 7.389 11.816 -4.835 1.00 0.00 N ATOM 1449 CA PHE A 94 6.393 12.376 -3.933 1.00 0.00 C ATOM 1450 C PHE A 94 6.754 13.816 -3.574 1.00 0.00 C ATOM 1451 O PHE A 94 7.911 14.123 -3.286 1.00 0.00 O ATOM 1452 CB PHE A 94 6.246 11.514 -2.665 1.00 0.00 C ATOM 1453 CG PHE A 94 7.511 11.342 -1.868 1.00 0.00 C ATOM 1454 CD1 PHE A 94 8.478 10.430 -2.259 1.00 0.00 C ATOM 1455 CD2 PHE A 94 7.731 12.095 -0.725 1.00 0.00 C ATOM 1456 CE1 PHE A 94 9.639 10.271 -1.527 1.00 0.00 C ATOM 1457 CE2 PHE A 94 8.890 11.940 0.011 1.00 0.00 C ATOM 1458 CZ PHE A 94 9.846 11.028 -0.390 1.00 0.00 C ATOM 0 H PHE A 94 8.325 12.202 -4.710 1.00 0.00 H new ATOM 0 HA PHE A 94 5.431 12.378 -4.445 1.00 0.00 H new ATOM 0 HB2 PHE A 94 5.487 11.963 -2.024 1.00 0.00 H new ATOM 0 HB3 PHE A 94 5.878 10.529 -2.953 1.00 0.00 H new ATOM 0 HD1 PHE A 94 8.322 9.836 -3.147 1.00 0.00 H new ATOM 0 HD2 PHE A 94 6.988 12.811 -0.406 1.00 0.00 H new ATOM 0 HE1 PHE A 94 10.384 9.556 -1.843 1.00 0.00 H new ATOM 0 HE2 PHE A 94 9.048 12.532 0.900 1.00 0.00 H new ATOM 0 HZ PHE A 94 10.753 10.907 0.184 1.00 0.00 H new ATOM 1468 N HIS A 95 5.766 14.696 -3.621 1.00 0.00 N ATOM 1469 CA HIS A 95 5.973 16.106 -3.315 1.00 0.00 C ATOM 1470 C HIS A 95 5.207 16.491 -2.054 1.00 0.00 C ATOM 1471 O HIS A 95 3.984 16.386 -2.014 1.00 0.00 O ATOM 1472 CB HIS A 95 5.495 16.960 -4.498 1.00 0.00 C ATOM 1473 CG HIS A 95 5.700 18.439 -4.327 1.00 0.00 C ATOM 1474 ND1 HIS A 95 4.660 19.333 -4.170 1.00 0.00 N ATOM 1475 CD2 HIS A 95 6.833 19.179 -4.306 1.00 0.00 C ATOM 1476 CE1 HIS A 95 5.147 20.555 -4.065 1.00 0.00 C ATOM 1477 NE2 HIS A 95 6.462 20.490 -4.143 1.00 0.00 N ATOM 0 H HIS A 95 4.806 14.458 -3.870 1.00 0.00 H new ATOM 0 HA HIS A 95 7.035 16.282 -3.144 1.00 0.00 H new ATOM 0 HB2 HIS A 95 6.018 16.636 -5.398 1.00 0.00 H new ATOM 0 HB3 HIS A 95 4.434 16.770 -4.661 1.00 0.00 H new ATOM 0 HD1 HIS A 95 3.670 19.088 -4.140 1.00 0.00 H new ATOM 0 HD2 HIS A 95 7.842 18.807 -4.400 1.00 0.00 H new ATOM 0 HE1 HIS A 95 4.566 21.457 -3.937 1.00 0.00 H new ATOM 1486 N GLY A 96 5.920 16.941 -1.032 1.00 0.00 N ATOM 1487 CA GLY A 96 5.263 17.375 0.187 1.00 0.00 C ATOM 1488 C GLY A 96 5.939 16.837 1.431 1.00 0.00 C ATOM 1489 O GLY A 96 7.034 16.279 1.355 1.00 0.00 O ATOM 0 H GLY A 96 6.937 17.014 -1.023 1.00 0.00 H new ATOM 0 HA2 GLY A 96 5.255 18.464 0.224 1.00 0.00 H new ATOM 0 HA3 GLY A 96 4.223 17.049 0.172 1.00 0.00 H new ATOM 1493 N THR A 97 5.287 16.993 2.574 1.00 0.00 N ATOM 1494 CA THR A 97 5.839 16.530 3.835 1.00 0.00 C ATOM 1495 C THR A 97 4.954 15.452 4.437 1.00 0.00 C ATOM 1496 O THR A 97 3.755 15.655 4.638 1.00 0.00 O ATOM 1497 CB THR A 97 6.003 17.689 4.837 1.00 0.00 C ATOM 1498 OG1 THR A 97 6.728 18.763 4.223 1.00 0.00 O ATOM 1499 CG2 THR A 97 6.742 17.229 6.087 1.00 0.00 C ATOM 0 H THR A 97 4.373 17.438 2.652 1.00 0.00 H new ATOM 0 HA THR A 97 6.825 16.114 3.630 1.00 0.00 H new ATOM 0 HB THR A 97 5.010 18.032 5.127 1.00 0.00 H new ATOM 0 HG1 THR A 97 6.828 19.498 4.863 1.00 0.00 H new ATOM 0 HG21 THR A 97 6.844 18.066 6.778 1.00 0.00 H new ATOM 0 HG22 THR A 97 6.180 16.428 6.568 1.00 0.00 H new ATOM 0 HG23 THR A 97 7.731 16.863 5.811 1.00 0.00 H new ATOM 1507 N LEU A 98 5.563 14.305 4.701 1.00 0.00 N ATOM 1508 CA LEU A 98 4.871 13.147 5.229 1.00 0.00 C ATOM 1509 C LEU A 98 4.167 13.469 6.542 1.00 0.00 C ATOM 1510 O LEU A 98 4.800 13.920 7.504 1.00 0.00 O ATOM 1511 CB LEU A 98 5.883 12.034 5.473 1.00 0.00 C ATOM 1512 CG LEU A 98 7.066 11.981 4.503 1.00 0.00 C ATOM 1513 CD1 LEU A 98 8.105 10.990 4.996 1.00 0.00 C ATOM 1514 CD2 LEU A 98 6.601 11.608 3.105 1.00 0.00 C ATOM 0 H LEU A 98 6.561 14.155 4.552 1.00 0.00 H new ATOM 0 HA LEU A 98 4.120 12.837 4.503 1.00 0.00 H new ATOM 0 HB2 LEU A 98 6.273 12.139 6.485 1.00 0.00 H new ATOM 0 HB3 LEU A 98 5.360 11.078 5.431 1.00 0.00 H new ATOM 0 HG LEU A 98 7.518 12.972 4.459 1.00 0.00 H new ATOM 0 HD11 LEU A 98 8.941 10.962 4.297 1.00 0.00 H new ATOM 0 HD12 LEU A 98 8.463 11.297 5.979 1.00 0.00 H new ATOM 0 HD13 LEU A 98 7.658 9.999 5.067 1.00 0.00 H new ATOM 0 HD21 LEU A 98 7.458 11.576 2.433 1.00 0.00 H new ATOM 0 HD22 LEU A 98 6.123 10.629 3.130 1.00 0.00 H new ATOM 0 HD23 LEU A 98 5.888 12.351 2.748 1.00 0.00 H new ATOM 1526 N GLN A 99 2.867 13.226 6.587 1.00 0.00 N ATOM 1527 CA GLN A 99 2.092 13.445 7.795 1.00 0.00 C ATOM 1528 C GLN A 99 1.059 12.330 7.974 1.00 0.00 C ATOM 1529 O GLN A 99 0.698 11.654 7.015 1.00 0.00 O ATOM 1530 CB GLN A 99 1.423 14.825 7.770 1.00 0.00 C ATOM 1531 CG GLN A 99 0.338 14.988 6.720 1.00 0.00 C ATOM 1532 CD GLN A 99 -0.148 16.420 6.621 1.00 0.00 C ATOM 1533 OE1 GLN A 99 0.612 17.362 6.855 1.00 0.00 O ATOM 1534 NE2 GLN A 99 -1.416 16.599 6.295 1.00 0.00 N ATOM 0 H GLN A 99 2.326 12.876 5.797 1.00 0.00 H new ATOM 0 HA GLN A 99 2.767 13.421 8.650 1.00 0.00 H new ATOM 0 HB2 GLN A 99 0.992 15.022 8.751 1.00 0.00 H new ATOM 0 HB3 GLN A 99 2.189 15.582 7.601 1.00 0.00 H new ATOM 0 HG2 GLN A 99 0.721 14.668 5.751 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -0.502 14.336 6.962 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -2.013 15.793 6.109 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -1.797 17.543 6.230 1.00 0.00 H new ATOM 1543 N ALA A 100 0.633 12.113 9.208 1.00 0.00 N ATOM 1544 CA ALA A 100 -0.321 11.048 9.504 1.00 0.00 C ATOM 1545 C ALA A 100 -1.719 11.576 9.823 1.00 0.00 C ATOM 1546 O ALA A 100 -1.973 12.054 10.928 1.00 0.00 O ATOM 1547 CB ALA A 100 0.192 10.199 10.652 1.00 0.00 C ATOM 0 H ALA A 100 0.929 12.655 10.020 1.00 0.00 H new ATOM 0 HA ALA A 100 -0.411 10.440 8.604 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -0.525 9.407 10.867 1.00 0.00 H new ATOM 0 HB2 ALA A 100 1.150 9.757 10.378 1.00 0.00 H new ATOM 0 HB3 ALA A 100 0.320 10.823 11.537 1.00 0.00 H new ATOM 1553 N HIS A 101 -2.621 11.497 8.846 1.00 0.00 N ATOM 1554 CA HIS A 101 -4.025 11.843 9.064 1.00 0.00 C ATOM 1555 C HIS A 101 -4.752 10.709 9.788 1.00 0.00 C ATOM 1556 O HIS A 101 -5.074 10.813 10.971 1.00 0.00 O ATOM 1557 CB HIS A 101 -4.715 12.134 7.724 1.00 0.00 C ATOM 1558 CG HIS A 101 -6.136 12.596 7.857 1.00 0.00 C ATOM 1559 ND1 HIS A 101 -6.484 13.855 8.295 1.00 0.00 N ATOM 1560 CD2 HIS A 101 -7.304 11.953 7.611 1.00 0.00 C ATOM 1561 CE1 HIS A 101 -7.798 13.965 8.317 1.00 0.00 C ATOM 1562 NE2 HIS A 101 -8.319 12.825 7.907 1.00 0.00 N ATOM 0 H HIS A 101 -2.405 11.196 7.896 1.00 0.00 H new ATOM 0 HA HIS A 101 -4.065 12.737 9.686 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -4.145 12.895 7.191 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -4.693 11.232 7.112 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -7.414 10.941 7.249 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -8.353 14.840 8.620 1.00 0.00 H new ATOM 0 HE2 HIS A 101 -9.316 12.625 7.824 1.00 0.00 H new ATOM 1571 N GLU A 102 -4.992 9.621 9.069 1.00 0.00 N ATOM 1572 CA GLU A 102 -5.680 8.458 9.617 1.00 0.00 C ATOM 1573 C GLU A 102 -4.714 7.533 10.331 1.00 0.00 C ATOM 1574 O GLU A 102 -5.053 6.408 10.686 1.00 0.00 O ATOM 1575 CB GLU A 102 -6.371 7.691 8.497 1.00 0.00 C ATOM 1576 CG GLU A 102 -7.865 7.916 8.441 1.00 0.00 C ATOM 1577 CD GLU A 102 -8.576 7.266 9.606 1.00 0.00 C ATOM 1578 OE1 GLU A 102 -8.630 7.875 10.695 1.00 0.00 O ATOM 1579 OE2 GLU A 102 -9.083 6.138 9.438 1.00 0.00 O ATOM 0 H GLU A 102 -4.717 9.519 8.092 1.00 0.00 H new ATOM 0 HA GLU A 102 -6.417 8.814 10.337 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -5.932 7.984 7.543 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -6.177 6.626 8.624 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -8.071 8.986 8.441 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -8.258 7.516 7.506 1.00 0.00 H new ATOM 1586 N HIS A 103 -3.510 8.011 10.542 1.00 0.00 N ATOM 1587 CA HIS A 103 -2.455 7.192 11.102 1.00 0.00 C ATOM 1588 C HIS A 103 -1.798 7.913 12.271 1.00 0.00 C ATOM 1589 O HIS A 103 -2.104 9.076 12.535 1.00 0.00 O ATOM 1590 CB HIS A 103 -1.436 6.854 10.007 1.00 0.00 C ATOM 1591 CG HIS A 103 -2.030 6.098 8.848 1.00 0.00 C ATOM 1592 ND1 HIS A 103 -2.657 6.710 7.775 1.00 0.00 N ATOM 1593 CD2 HIS A 103 -2.097 4.768 8.603 1.00 0.00 C ATOM 1594 CE1 HIS A 103 -3.075 5.787 6.927 1.00 0.00 C ATOM 1595 NE2 HIS A 103 -2.747 4.604 7.407 1.00 0.00 N ATOM 0 H HIS A 103 -3.233 8.970 10.333 1.00 0.00 H new ATOM 0 HA HIS A 103 -2.874 6.260 11.481 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -0.991 7.778 9.638 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -0.630 6.263 10.442 1.00 0.00 H new ATOM 0 HD1 HIS A 103 -2.777 7.716 7.658 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -1.710 3.981 9.234 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -3.596 5.970 5.999 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -2.945 3.709 6.960 1.00 0.00 H new ATOM 1604 N GLN A 104 -0.917 7.223 12.975 1.00 0.00 N ATOM 1605 CA GLN A 104 -0.244 7.803 14.129 1.00 0.00 C ATOM 1606 C GLN A 104 1.163 8.278 13.767 1.00 0.00 C ATOM 1607 O GLN A 104 1.404 9.474 13.608 1.00 0.00 O ATOM 1608 CB GLN A 104 -0.181 6.784 15.271 1.00 0.00 C ATOM 1609 CG GLN A 104 0.553 7.294 16.500 1.00 0.00 C ATOM 1610 CD GLN A 104 -0.113 8.504 17.121 1.00 0.00 C ATOM 1611 OE1 GLN A 104 0.172 9.646 16.755 1.00 0.00 O ATOM 1612 NE2 GLN A 104 -0.998 8.261 18.070 1.00 0.00 N ATOM 0 H GLN A 104 -0.650 6.260 12.769 1.00 0.00 H new ATOM 0 HA GLN A 104 -0.819 8.669 14.456 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -1.196 6.504 15.554 1.00 0.00 H new ATOM 0 HB3 GLN A 104 0.311 5.879 14.913 1.00 0.00 H new ATOM 0 HG2 GLN A 104 0.610 6.496 17.241 1.00 0.00 H new ATOM 0 HG3 GLN A 104 1.577 7.549 16.226 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -1.203 7.300 18.342 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -1.476 9.035 18.532 1.00 0.00 H new ATOM 1621 N ALA A 105 2.085 7.337 13.628 1.00 0.00 N ATOM 1622 CA ALA A 105 3.471 7.669 13.345 1.00 0.00 C ATOM 1623 C ALA A 105 3.884 7.128 11.988 1.00 0.00 C ATOM 1624 O ALA A 105 3.262 6.201 11.467 1.00 0.00 O ATOM 1625 CB ALA A 105 4.379 7.120 14.438 1.00 0.00 C ATOM 0 H ALA A 105 1.897 6.338 13.707 1.00 0.00 H new ATOM 0 HA ALA A 105 3.569 8.754 13.324 1.00 0.00 H new ATOM 0 HB1 ALA A 105 5.414 7.376 14.213 1.00 0.00 H new ATOM 0 HB2 ALA A 105 4.098 7.555 15.397 1.00 0.00 H new ATOM 0 HB3 ALA A 105 4.276 6.036 14.487 1.00 0.00 H new ATOM 1631 N LEU A 106 4.924 7.713 11.419 1.00 0.00 N ATOM 1632 CA LEU A 106 5.448 7.277 10.134 1.00 0.00 C ATOM 1633 C LEU A 106 6.922 6.926 10.263 1.00 0.00 C ATOM 1634 O LEU A 106 7.681 7.631 10.927 1.00 0.00 O ATOM 1635 CB LEU A 106 5.271 8.362 9.061 1.00 0.00 C ATOM 1636 CG LEU A 106 3.986 8.274 8.227 1.00 0.00 C ATOM 1637 CD1 LEU A 106 2.760 8.436 9.102 1.00 0.00 C ATOM 1638 CD2 LEU A 106 3.994 9.326 7.131 1.00 0.00 C ATOM 0 H LEU A 106 5.427 8.499 11.831 1.00 0.00 H new ATOM 0 HA LEU A 106 4.886 6.395 9.827 1.00 0.00 H new ATOM 0 HB2 LEU A 106 5.299 9.336 9.549 1.00 0.00 H new ATOM 0 HB3 LEU A 106 6.124 8.320 8.384 1.00 0.00 H new ATOM 0 HG LEU A 106 3.948 7.287 7.766 1.00 0.00 H new ATOM 0 HD11 LEU A 106 1.863 8.370 8.487 1.00 0.00 H new ATOM 0 HD12 LEU A 106 2.743 7.648 9.854 1.00 0.00 H new ATOM 0 HD13 LEU A 106 2.791 9.408 9.595 1.00 0.00 H new ATOM 0 HD21 LEU A 106 3.076 9.251 6.548 1.00 0.00 H new ATOM 0 HD22 LEU A 106 4.059 10.318 7.579 1.00 0.00 H new ATOM 0 HD23 LEU A 106 4.852 9.165 6.479 1.00 0.00 H new ATOM 1650 N VAL A 107 7.321 5.834 9.637 1.00 0.00 N ATOM 1651 CA VAL A 107 8.713 5.415 9.661 1.00 0.00 C ATOM 1652 C VAL A 107 9.160 5.006 8.264 1.00 0.00 C ATOM 1653 O VAL A 107 8.364 4.515 7.467 1.00 0.00 O ATOM 1654 CB VAL A 107 8.948 4.248 10.656 1.00 0.00 C ATOM 1655 CG1 VAL A 107 8.316 2.956 10.157 1.00 0.00 C ATOM 1656 CG2 VAL A 107 10.434 4.052 10.926 1.00 0.00 C ATOM 0 H VAL A 107 6.703 5.221 9.106 1.00 0.00 H new ATOM 0 HA VAL A 107 9.307 6.264 10.000 1.00 0.00 H new ATOM 0 HB VAL A 107 8.463 4.515 11.595 1.00 0.00 H new ATOM 0 HG11 VAL A 107 8.500 2.159 10.878 1.00 0.00 H new ATOM 0 HG12 VAL A 107 7.242 3.098 10.039 1.00 0.00 H new ATOM 0 HG13 VAL A 107 8.754 2.684 9.196 1.00 0.00 H new ATOM 0 HG21 VAL A 107 10.571 3.228 11.626 1.00 0.00 H new ATOM 0 HG22 VAL A 107 10.946 3.823 9.992 1.00 0.00 H new ATOM 0 HG23 VAL A 107 10.850 4.964 11.353 1.00 0.00 H new ATOM 1666 N TRP A 108 10.423 5.246 7.970 1.00 0.00 N ATOM 1667 CA TRP A 108 10.999 4.812 6.716 1.00 0.00 C ATOM 1668 C TRP A 108 12.049 3.745 6.984 1.00 0.00 C ATOM 1669 O TRP A 108 13.054 3.989 7.653 1.00 0.00 O ATOM 1670 CB TRP A 108 11.576 5.994 5.918 1.00 0.00 C ATOM 1671 CG TRP A 108 12.495 6.885 6.698 1.00 0.00 C ATOM 1672 CD1 TRP A 108 13.852 6.784 6.794 1.00 0.00 C ATOM 1673 CD2 TRP A 108 12.121 8.026 7.481 1.00 0.00 C ATOM 1674 NE1 TRP A 108 14.344 7.780 7.599 1.00 0.00 N ATOM 1675 CE2 TRP A 108 13.302 8.558 8.031 1.00 0.00 C ATOM 1676 CE3 TRP A 108 10.902 8.645 7.775 1.00 0.00 C ATOM 1677 CZ2 TRP A 108 13.300 9.678 8.855 1.00 0.00 C ATOM 1678 CZ3 TRP A 108 10.902 9.760 8.590 1.00 0.00 C ATOM 1679 CH2 TRP A 108 12.094 10.265 9.122 1.00 0.00 C ATOM 0 H TRP A 108 11.069 5.740 8.585 1.00 0.00 H new ATOM 0 HA TRP A 108 10.212 4.380 6.098 1.00 0.00 H new ATOM 0 HB2 TRP A 108 12.116 5.604 5.055 1.00 0.00 H new ATOM 0 HB3 TRP A 108 10.751 6.593 5.533 1.00 0.00 H new ATOM 0 HD1 TRP A 108 14.452 6.029 6.307 1.00 0.00 H new ATOM 0 HE1 TRP A 108 15.326 7.919 7.837 1.00 0.00 H new ATOM 0 HE3 TRP A 108 9.978 8.258 7.372 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 14.217 10.070 9.269 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 9.968 10.250 8.820 1.00 0.00 H new ATOM 0 HH2 TRP A 108 12.061 11.138 9.757 1.00 0.00 H new ATOM 1690 N CYS A 109 11.790 2.556 6.481 1.00 0.00 N ATOM 1691 CA CYS A 109 12.661 1.420 6.725 1.00 0.00 C ATOM 1692 C CYS A 109 12.815 0.587 5.463 1.00 0.00 C ATOM 1693 O CYS A 109 11.960 0.626 4.581 1.00 0.00 O ATOM 1694 CB CYS A 109 12.126 0.561 7.875 1.00 0.00 C ATOM 1695 SG CYS A 109 10.459 -0.083 7.612 1.00 0.00 S ATOM 0 H CYS A 109 10.980 2.348 5.897 1.00 0.00 H new ATOM 0 HA CYS A 109 13.642 1.798 7.012 1.00 0.00 H new ATOM 0 HB2 CYS A 109 12.805 -0.277 8.033 1.00 0.00 H new ATOM 0 HB3 CYS A 109 12.133 1.154 8.789 1.00 0.00 H new ATOM 0 HG CYS A 109 10.102 -0.796 8.639 1.00 0.00 H new ATOM 1701 N SER A 110 13.898 -0.166 5.388 1.00 0.00 N ATOM 1702 CA SER A 110 14.193 -0.977 4.216 1.00 0.00 C ATOM 1703 C SER A 110 13.152 -2.107 4.105 1.00 0.00 C ATOM 1704 O SER A 110 12.602 -2.536 5.119 1.00 0.00 O ATOM 1705 CB SER A 110 15.616 -1.534 4.345 1.00 0.00 C ATOM 1706 OG SER A 110 16.097 -2.064 3.123 1.00 0.00 O ATOM 0 H SER A 110 14.594 -0.234 6.131 1.00 0.00 H new ATOM 0 HA SER A 110 14.138 -0.377 3.307 1.00 0.00 H new ATOM 0 HB2 SER A 110 16.285 -0.743 4.684 1.00 0.00 H new ATOM 0 HB3 SER A 110 15.632 -2.313 5.108 1.00 0.00 H new ATOM 0 HG SER A 110 16.204 -3.034 3.207 1.00 0.00 H new ATOM 1712 N PRO A 111 12.850 -2.575 2.877 1.00 0.00 N ATOM 1713 CA PRO A 111 11.800 -3.575 2.620 1.00 0.00 C ATOM 1714 C PRO A 111 11.836 -4.780 3.564 1.00 0.00 C ATOM 1715 O PRO A 111 10.814 -5.148 4.139 1.00 0.00 O ATOM 1716 CB PRO A 111 12.052 -4.024 1.172 1.00 0.00 C ATOM 1717 CG PRO A 111 13.301 -3.333 0.727 1.00 0.00 C ATOM 1718 CD PRO A 111 13.497 -2.153 1.634 1.00 0.00 C ATOM 0 HA PRO A 111 10.815 -3.138 2.785 1.00 0.00 H new ATOM 0 HB2 PRO A 111 12.166 -5.107 1.115 1.00 0.00 H new ATOM 0 HB3 PRO A 111 11.212 -3.758 0.531 1.00 0.00 H new ATOM 0 HG2 PRO A 111 14.155 -4.008 0.782 1.00 0.00 H new ATOM 0 HG3 PRO A 111 13.215 -3.011 -0.311 1.00 0.00 H new ATOM 0 HD2 PRO A 111 14.554 -1.932 1.785 1.00 0.00 H new ATOM 0 HD3 PRO A 111 13.038 -1.252 1.227 1.00 0.00 H new ATOM 1726 N GLU A 112 13.005 -5.380 3.741 1.00 0.00 N ATOM 1727 CA GLU A 112 13.122 -6.576 4.569 1.00 0.00 C ATOM 1728 C GLU A 112 12.910 -6.225 6.037 1.00 0.00 C ATOM 1729 O GLU A 112 12.407 -7.036 6.810 1.00 0.00 O ATOM 1730 CB GLU A 112 14.478 -7.278 4.376 1.00 0.00 C ATOM 1731 CG GLU A 112 15.696 -6.393 4.603 1.00 0.00 C ATOM 1732 CD GLU A 112 16.032 -5.542 3.398 1.00 0.00 C ATOM 1733 OE1 GLU A 112 15.382 -4.502 3.200 1.00 0.00 O ATOM 1734 OE2 GLU A 112 16.947 -5.912 2.643 1.00 0.00 O ATOM 0 H GLU A 112 13.881 -5.062 3.326 1.00 0.00 H new ATOM 0 HA GLU A 112 12.346 -7.272 4.252 1.00 0.00 H new ATOM 0 HB2 GLU A 112 14.532 -8.127 5.058 1.00 0.00 H new ATOM 0 HB3 GLU A 112 14.522 -7.679 3.363 1.00 0.00 H new ATOM 0 HG2 GLU A 112 15.515 -5.745 5.461 1.00 0.00 H new ATOM 0 HG3 GLU A 112 16.553 -7.019 4.851 1.00 0.00 H new ATOM 1741 N GLU A 113 13.279 -5.005 6.406 1.00 0.00 N ATOM 1742 CA GLU A 113 13.073 -4.515 7.762 1.00 0.00 C ATOM 1743 C GLU A 113 11.581 -4.359 8.040 1.00 0.00 C ATOM 1744 O GLU A 113 11.104 -4.691 9.120 1.00 0.00 O ATOM 1745 CB GLU A 113 13.785 -3.173 7.957 1.00 0.00 C ATOM 1746 CG GLU A 113 15.298 -3.239 7.792 1.00 0.00 C ATOM 1747 CD GLU A 113 15.998 -3.886 8.973 1.00 0.00 C ATOM 1748 OE1 GLU A 113 16.222 -3.191 9.986 1.00 0.00 O ATOM 1749 OE2 GLU A 113 16.347 -5.082 8.891 1.00 0.00 O ATOM 0 H GLU A 113 13.725 -4.334 5.781 1.00 0.00 H new ATOM 0 HA GLU A 113 13.492 -5.238 8.462 1.00 0.00 H new ATOM 0 HB2 GLU A 113 13.384 -2.454 7.242 1.00 0.00 H new ATOM 0 HB3 GLU A 113 13.556 -2.794 8.953 1.00 0.00 H new ATOM 0 HG2 GLU A 113 15.535 -3.798 6.886 1.00 0.00 H new ATOM 0 HG3 GLU A 113 15.687 -2.230 7.655 1.00 0.00 H new ATOM 1756 N ALA A 114 10.851 -3.876 7.039 1.00 0.00 N ATOM 1757 CA ALA A 114 9.412 -3.652 7.156 1.00 0.00 C ATOM 1758 C ALA A 114 8.669 -4.941 7.477 1.00 0.00 C ATOM 1759 O ALA A 114 7.760 -4.950 8.300 1.00 0.00 O ATOM 1760 CB ALA A 114 8.868 -3.044 5.873 1.00 0.00 C ATOM 0 H ALA A 114 11.237 -3.630 6.128 1.00 0.00 H new ATOM 0 HA ALA A 114 9.251 -2.958 7.981 1.00 0.00 H new ATOM 0 HB1 ALA A 114 7.795 -2.882 5.974 1.00 0.00 H new ATOM 0 HB2 ALA A 114 9.362 -2.091 5.684 1.00 0.00 H new ATOM 0 HB3 ALA A 114 9.056 -3.722 5.041 1.00 0.00 H new ATOM 1766 N LEU A 115 9.079 -6.033 6.844 1.00 0.00 N ATOM 1767 CA LEU A 115 8.393 -7.313 7.006 1.00 0.00 C ATOM 1768 C LEU A 115 8.664 -7.899 8.391 1.00 0.00 C ATOM 1769 O LEU A 115 8.006 -8.848 8.819 1.00 0.00 O ATOM 1770 CB LEU A 115 8.832 -8.282 5.901 1.00 0.00 C ATOM 1771 CG LEU A 115 7.718 -9.135 5.263 1.00 0.00 C ATOM 1772 CD1 LEU A 115 7.373 -10.334 6.126 1.00 0.00 C ATOM 1773 CD2 LEU A 115 6.471 -8.297 5.023 1.00 0.00 C ATOM 0 H LEU A 115 9.881 -6.060 6.215 1.00 0.00 H new ATOM 0 HA LEU A 115 7.318 -7.153 6.920 1.00 0.00 H new ATOM 0 HB2 LEU A 115 9.317 -7.706 5.113 1.00 0.00 H new ATOM 0 HB3 LEU A 115 9.585 -8.954 6.313 1.00 0.00 H new ATOM 0 HG LEU A 115 8.094 -9.499 4.307 1.00 0.00 H new ATOM 0 HD11 LEU A 115 6.584 -10.913 5.646 1.00 0.00 H new ATOM 0 HD12 LEU A 115 8.257 -10.959 6.251 1.00 0.00 H new ATOM 0 HD13 LEU A 115 7.029 -9.993 7.102 1.00 0.00 H new ATOM 0 HD21 LEU A 115 5.697 -8.918 4.572 1.00 0.00 H new ATOM 0 HD22 LEU A 115 6.111 -7.900 5.972 1.00 0.00 H new ATOM 0 HD23 LEU A 115 6.711 -7.472 4.352 1.00 0.00 H new ATOM 1785 N GLN A 116 9.631 -7.320 9.092 1.00 0.00 N ATOM 1786 CA GLN A 116 9.928 -7.716 10.462 1.00 0.00 C ATOM 1787 C GLN A 116 8.980 -7.019 11.433 1.00 0.00 C ATOM 1788 O GLN A 116 8.855 -7.415 12.592 1.00 0.00 O ATOM 1789 CB GLN A 116 11.368 -7.348 10.814 1.00 0.00 C ATOM 1790 CG GLN A 116 12.397 -7.929 9.868 1.00 0.00 C ATOM 1791 CD GLN A 116 13.762 -7.298 10.046 1.00 0.00 C ATOM 1792 OE1 GLN A 116 14.136 -6.889 11.146 1.00 0.00 O ATOM 1793 NE2 GLN A 116 14.509 -7.203 8.959 1.00 0.00 N ATOM 0 H GLN A 116 10.224 -6.572 8.732 1.00 0.00 H new ATOM 0 HA GLN A 116 9.797 -8.795 10.544 1.00 0.00 H new ATOM 0 HB2 GLN A 116 11.465 -6.262 10.818 1.00 0.00 H new ATOM 0 HB3 GLN A 116 11.584 -7.691 11.826 1.00 0.00 H new ATOM 0 HG2 GLN A 116 12.472 -9.004 10.032 1.00 0.00 H new ATOM 0 HG3 GLN A 116 12.064 -7.786 8.840 1.00 0.00 H new ATOM 0 HE21 GLN A 116 14.160 -7.555 8.068 1.00 0.00 H new ATOM 0 HE22 GLN A 116 15.435 -6.778 9.012 1.00 0.00 H new ATOM 1802 N TYR A 117 8.303 -5.991 10.941 1.00 0.00 N ATOM 1803 CA TYR A 117 7.405 -5.192 11.761 1.00 0.00 C ATOM 1804 C TYR A 117 6.000 -5.780 11.742 1.00 0.00 C ATOM 1805 O TYR A 117 5.689 -6.627 10.904 1.00 0.00 O ATOM 1806 CB TYR A 117 7.371 -3.744 11.264 1.00 0.00 C ATOM 1807 CG TYR A 117 8.536 -2.906 11.741 1.00 0.00 C ATOM 1808 CD1 TYR A 117 8.470 -2.201 12.936 1.00 0.00 C ATOM 1809 CD2 TYR A 117 9.698 -2.821 10.994 1.00 0.00 C ATOM 1810 CE1 TYR A 117 9.538 -1.436 13.372 1.00 0.00 C ATOM 1811 CE2 TYR A 117 10.771 -2.061 11.421 1.00 0.00 C ATOM 1812 CZ TYR A 117 10.686 -1.369 12.609 1.00 0.00 C ATOM 1813 OH TYR A 117 11.755 -0.616 13.039 1.00 0.00 O ATOM 0 H TYR A 117 8.360 -5.689 9.968 1.00 0.00 H new ATOM 0 HA TYR A 117 7.777 -5.204 12.785 1.00 0.00 H new ATOM 0 HB2 TYR A 117 7.358 -3.744 10.174 1.00 0.00 H new ATOM 0 HB3 TYR A 117 6.442 -3.279 11.594 1.00 0.00 H new ATOM 0 HD1 TYR A 117 7.572 -2.250 13.534 1.00 0.00 H new ATOM 0 HD2 TYR A 117 9.768 -3.359 10.060 1.00 0.00 H new ATOM 0 HE1 TYR A 117 9.473 -0.895 14.304 1.00 0.00 H new ATOM 0 HE2 TYR A 117 11.671 -2.010 10.826 1.00 0.00 H new ATOM 0 HH TYR A 117 12.483 -0.678 12.386 1.00 0.00 H new ATOM 1823 N PRO A 118 5.135 -5.352 12.671 1.00 0.00 N ATOM 1824 CA PRO A 118 3.752 -5.808 12.711 1.00 0.00 C ATOM 1825 C PRO A 118 2.930 -5.209 11.570 1.00 0.00 C ATOM 1826 O PRO A 118 2.313 -4.153 11.716 1.00 0.00 O ATOM 1827 CB PRO A 118 3.248 -5.336 14.076 1.00 0.00 C ATOM 1828 CG PRO A 118 4.117 -4.179 14.439 1.00 0.00 C ATOM 1829 CD PRO A 118 5.441 -4.397 13.754 1.00 0.00 C ATOM 0 HA PRO A 118 3.665 -6.887 12.585 1.00 0.00 H new ATOM 0 HB2 PRO A 118 2.200 -5.041 14.027 1.00 0.00 H new ATOM 0 HB3 PRO A 118 3.321 -6.131 14.818 1.00 0.00 H new ATOM 0 HG2 PRO A 118 3.665 -3.241 14.117 1.00 0.00 H new ATOM 0 HG3 PRO A 118 4.246 -4.117 15.520 1.00 0.00 H new ATOM 0 HD2 PRO A 118 5.844 -3.464 13.360 1.00 0.00 H new ATOM 0 HD3 PRO A 118 6.184 -4.800 14.442 1.00 0.00 H new ATOM 1837 N LEU A 119 2.976 -5.869 10.423 1.00 0.00 N ATOM 1838 CA LEU A 119 2.252 -5.429 9.241 1.00 0.00 C ATOM 1839 C LEU A 119 0.923 -6.168 9.123 1.00 0.00 C ATOM 1840 O LEU A 119 0.768 -7.280 9.639 1.00 0.00 O ATOM 1841 CB LEU A 119 3.097 -5.657 7.980 1.00 0.00 C ATOM 1842 CG LEU A 119 4.336 -4.765 7.831 1.00 0.00 C ATOM 1843 CD1 LEU A 119 5.074 -5.113 6.546 1.00 0.00 C ATOM 1844 CD2 LEU A 119 3.947 -3.291 7.853 1.00 0.00 C ATOM 0 H LEU A 119 3.516 -6.724 10.286 1.00 0.00 H new ATOM 0 HA LEU A 119 2.050 -4.362 9.339 1.00 0.00 H new ATOM 0 HB2 LEU A 119 3.419 -6.698 7.966 1.00 0.00 H new ATOM 0 HB3 LEU A 119 2.460 -5.509 7.108 1.00 0.00 H new ATOM 0 HG LEU A 119 5.002 -4.945 8.675 1.00 0.00 H new ATOM 0 HD11 LEU A 119 5.953 -4.476 6.447 1.00 0.00 H new ATOM 0 HD12 LEU A 119 5.385 -6.157 6.576 1.00 0.00 H new ATOM 0 HD13 LEU A 119 4.414 -4.956 5.693 1.00 0.00 H new ATOM 0 HD21 LEU A 119 4.841 -2.677 7.746 1.00 0.00 H new ATOM 0 HD22 LEU A 119 3.263 -3.083 7.030 1.00 0.00 H new ATOM 0 HD23 LEU A 119 3.458 -3.058 8.799 1.00 0.00 H new ATOM 1856 N ALA A 120 -0.039 -5.534 8.467 1.00 0.00 N ATOM 1857 CA ALA A 120 -1.351 -6.130 8.250 1.00 0.00 C ATOM 1858 C ALA A 120 -1.246 -7.375 7.365 1.00 0.00 C ATOM 1859 O ALA A 120 -0.348 -7.469 6.531 1.00 0.00 O ATOM 1860 CB ALA A 120 -2.290 -5.108 7.626 1.00 0.00 C ATOM 0 H ALA A 120 0.066 -4.599 8.073 1.00 0.00 H new ATOM 0 HA ALA A 120 -1.755 -6.437 9.214 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -3.268 -5.562 7.467 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -2.391 -4.252 8.293 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -1.884 -4.777 6.670 1.00 0.00 H new ATOM 1866 N PRO A 121 -2.170 -8.341 7.525 1.00 0.00 N ATOM 1867 CA PRO A 121 -2.165 -9.597 6.752 1.00 0.00 C ATOM 1868 C PRO A 121 -2.257 -9.375 5.239 1.00 0.00 C ATOM 1869 O PRO A 121 -1.950 -10.267 4.451 1.00 0.00 O ATOM 1870 CB PRO A 121 -3.409 -10.343 7.253 1.00 0.00 C ATOM 1871 CG PRO A 121 -4.243 -9.310 7.931 1.00 0.00 C ATOM 1872 CD PRO A 121 -3.278 -8.306 8.492 1.00 0.00 C ATOM 0 HA PRO A 121 -1.232 -10.142 6.898 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -3.950 -10.804 6.427 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -3.137 -11.143 7.942 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -4.931 -8.840 7.228 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -4.849 -9.754 8.721 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -3.723 -7.313 8.562 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -2.948 -8.579 9.495 1.00 0.00 H new ATOM 1880 N ALA A 122 -2.682 -8.185 4.837 1.00 0.00 N ATOM 1881 CA ALA A 122 -2.762 -7.848 3.422 1.00 0.00 C ATOM 1882 C ALA A 122 -1.510 -7.106 2.971 1.00 0.00 C ATOM 1883 O ALA A 122 -1.200 -7.064 1.783 1.00 0.00 O ATOM 1884 CB ALA A 122 -3.999 -7.010 3.138 1.00 0.00 C ATOM 0 H ALA A 122 -2.976 -7.439 5.468 1.00 0.00 H new ATOM 0 HA ALA A 122 -2.835 -8.778 2.859 1.00 0.00 H new ATOM 0 HB1 ALA A 122 -4.039 -6.769 2.076 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -4.891 -7.571 3.417 1.00 0.00 H new ATOM 0 HB3 ALA A 122 -3.955 -6.088 3.717 1.00 0.00 H new ATOM 1890 N ASP A 123 -0.791 -6.552 3.936 1.00 0.00 N ATOM 1891 CA ASP A 123 0.387 -5.734 3.667 1.00 0.00 C ATOM 1892 C ASP A 123 1.610 -6.628 3.493 1.00 0.00 C ATOM 1893 O ASP A 123 2.509 -6.338 2.704 1.00 0.00 O ATOM 1894 CB ASP A 123 0.606 -4.765 4.834 1.00 0.00 C ATOM 1895 CG ASP A 123 1.527 -3.610 4.495 1.00 0.00 C ATOM 1896 OD1 ASP A 123 2.756 -3.808 4.489 1.00 0.00 O ATOM 1897 OD2 ASP A 123 1.014 -2.495 4.262 1.00 0.00 O ATOM 0 H ASP A 123 -1.006 -6.656 4.928 1.00 0.00 H new ATOM 0 HA ASP A 123 0.235 -5.166 2.749 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -0.358 -4.369 5.153 1.00 0.00 H new ATOM 0 HB3 ASP A 123 1.021 -5.314 5.679 1.00 0.00 H new ATOM 1902 N ILE A 124 1.593 -7.760 4.194 1.00 0.00 N ATOM 1903 CA ILE A 124 2.723 -8.685 4.203 1.00 0.00 C ATOM 1904 C ILE A 124 2.988 -9.268 2.807 1.00 0.00 C ATOM 1905 O ILE A 124 4.088 -9.112 2.283 1.00 0.00 O ATOM 1906 CB ILE A 124 2.511 -9.832 5.221 1.00 0.00 C ATOM 1907 CG1 ILE A 124 2.340 -9.259 6.630 1.00 0.00 C ATOM 1908 CG2 ILE A 124 3.677 -10.816 5.179 1.00 0.00 C ATOM 1909 CD1 ILE A 124 2.021 -10.304 7.676 1.00 0.00 C ATOM 0 H ILE A 124 0.804 -8.059 4.766 1.00 0.00 H new ATOM 0 HA ILE A 124 3.597 -8.109 4.508 1.00 0.00 H new ATOM 0 HB ILE A 124 1.604 -10.373 4.950 1.00 0.00 H new ATOM 0 HG12 ILE A 124 3.255 -8.740 6.915 1.00 0.00 H new ATOM 0 HG13 ILE A 124 1.543 -8.516 6.616 1.00 0.00 H new ATOM 0 HG21 ILE A 124 3.506 -11.613 5.902 1.00 0.00 H new ATOM 0 HG22 ILE A 124 3.756 -11.244 4.180 1.00 0.00 H new ATOM 0 HG23 ILE A 124 4.602 -10.295 5.425 1.00 0.00 H new ATOM 0 HD11 ILE A 124 1.914 -9.824 8.649 1.00 0.00 H new ATOM 0 HD12 ILE A 124 1.090 -10.807 7.415 1.00 0.00 H new ATOM 0 HD13 ILE A 124 2.829 -11.035 7.719 1.00 0.00 H new ATOM 1921 N PRO A 125 1.989 -9.935 2.174 1.00 0.00 N ATOM 1922 CA PRO A 125 2.156 -10.530 0.836 1.00 0.00 C ATOM 1923 C PRO A 125 2.614 -9.513 -0.206 1.00 0.00 C ATOM 1924 O PRO A 125 3.328 -9.849 -1.151 1.00 0.00 O ATOM 1925 CB PRO A 125 0.755 -11.053 0.483 1.00 0.00 C ATOM 1926 CG PRO A 125 -0.166 -10.393 1.450 1.00 0.00 C ATOM 1927 CD PRO A 125 0.637 -10.181 2.697 1.00 0.00 C ATOM 0 HA PRO A 125 2.924 -11.303 0.841 1.00 0.00 H new ATOM 0 HB2 PRO A 125 0.490 -10.805 -0.545 1.00 0.00 H new ATOM 0 HB3 PRO A 125 0.706 -12.138 0.572 1.00 0.00 H new ATOM 0 HG2 PRO A 125 -0.534 -9.446 1.056 1.00 0.00 H new ATOM 0 HG3 PRO A 125 -1.038 -11.016 1.647 1.00 0.00 H new ATOM 0 HD2 PRO A 125 0.268 -9.336 3.277 1.00 0.00 H new ATOM 0 HD3 PRO A 125 0.608 -11.053 3.350 1.00 0.00 H new ATOM 1935 N LEU A 126 2.210 -8.264 -0.022 1.00 0.00 N ATOM 1936 CA LEU A 126 2.589 -7.201 -0.938 1.00 0.00 C ATOM 1937 C LEU A 126 4.060 -6.856 -0.759 1.00 0.00 C ATOM 1938 O LEU A 126 4.789 -6.667 -1.735 1.00 0.00 O ATOM 1939 CB LEU A 126 1.723 -5.960 -0.711 1.00 0.00 C ATOM 1940 CG LEU A 126 0.228 -6.150 -0.972 1.00 0.00 C ATOM 1941 CD1 LEU A 126 -0.536 -4.874 -0.651 1.00 0.00 C ATOM 1942 CD2 LEU A 126 -0.016 -6.565 -2.416 1.00 0.00 C ATOM 0 H LEU A 126 1.620 -7.963 0.754 1.00 0.00 H new ATOM 0 HA LEU A 126 2.429 -7.550 -1.958 1.00 0.00 H new ATOM 0 HB2 LEU A 126 1.856 -5.628 0.319 1.00 0.00 H new ATOM 0 HB3 LEU A 126 2.089 -5.159 -1.354 1.00 0.00 H new ATOM 0 HG LEU A 126 -0.135 -6.944 -0.319 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -1.598 -5.028 -0.843 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -0.390 -4.617 0.398 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -0.168 -4.062 -1.278 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -1.085 -6.695 -2.581 1.00 0.00 H new ATOM 0 HD22 LEU A 126 0.363 -5.793 -3.086 1.00 0.00 H new ATOM 0 HD23 LEU A 126 0.499 -7.504 -2.617 1.00 0.00 H new ATOM 1954 N LEU A 127 4.500 -6.806 0.490 1.00 0.00 N ATOM 1955 CA LEU A 127 5.881 -6.485 0.796 1.00 0.00 C ATOM 1956 C LEU A 127 6.791 -7.646 0.401 1.00 0.00 C ATOM 1957 O LEU A 127 7.886 -7.428 -0.126 1.00 0.00 O ATOM 1958 CB LEU A 127 6.032 -6.148 2.288 1.00 0.00 C ATOM 1959 CG LEU A 127 7.368 -5.511 2.711 1.00 0.00 C ATOM 1960 CD1 LEU A 127 8.492 -6.534 2.746 1.00 0.00 C ATOM 1961 CD2 LEU A 127 7.727 -4.372 1.776 1.00 0.00 C ATOM 0 H LEU A 127 3.917 -6.985 1.308 1.00 0.00 H new ATOM 0 HA LEU A 127 6.178 -5.609 0.220 1.00 0.00 H new ATOM 0 HB2 LEU A 127 5.226 -5.471 2.569 1.00 0.00 H new ATOM 0 HB3 LEU A 127 5.893 -7.064 2.862 1.00 0.00 H new ATOM 0 HG LEU A 127 7.242 -5.120 3.721 1.00 0.00 H new ATOM 0 HD11 LEU A 127 9.419 -6.046 3.049 1.00 0.00 H new ATOM 0 HD12 LEU A 127 8.246 -7.321 3.459 1.00 0.00 H new ATOM 0 HD13 LEU A 127 8.618 -6.970 1.755 1.00 0.00 H new ATOM 0 HD21 LEU A 127 8.674 -3.931 2.087 1.00 0.00 H new ATOM 0 HD22 LEU A 127 7.820 -4.752 0.759 1.00 0.00 H new ATOM 0 HD23 LEU A 127 6.945 -3.613 1.810 1.00 0.00 H new ATOM 1973 N GLU A 128 6.335 -8.878 0.640 1.00 0.00 N ATOM 1974 CA GLU A 128 7.112 -10.060 0.284 1.00 0.00 C ATOM 1975 C GLU A 128 7.511 -10.029 -1.185 1.00 0.00 C ATOM 1976 O GLU A 128 8.635 -10.383 -1.537 1.00 0.00 O ATOM 1977 CB GLU A 128 6.334 -11.345 0.569 1.00 0.00 C ATOM 1978 CG GLU A 128 5.932 -11.515 2.021 1.00 0.00 C ATOM 1979 CD GLU A 128 5.583 -12.951 2.353 1.00 0.00 C ATOM 1980 OE1 GLU A 128 4.481 -13.406 1.978 1.00 0.00 O ATOM 1981 OE2 GLU A 128 6.428 -13.640 2.967 1.00 0.00 O ATOM 0 H GLU A 128 5.435 -9.079 1.077 1.00 0.00 H new ATOM 0 HA GLU A 128 8.011 -10.049 0.900 1.00 0.00 H new ATOM 0 HB2 GLU A 128 5.437 -11.359 -0.049 1.00 0.00 H new ATOM 0 HB3 GLU A 128 6.941 -12.199 0.269 1.00 0.00 H new ATOM 0 HG2 GLU A 128 6.748 -11.183 2.663 1.00 0.00 H new ATOM 0 HG3 GLU A 128 5.076 -10.876 2.237 1.00 0.00 H new ATOM 1988 N ALA A 129 6.591 -9.608 -2.043 1.00 0.00 N ATOM 1989 CA ALA A 129 6.885 -9.520 -3.463 1.00 0.00 C ATOM 1990 C ALA A 129 7.659 -8.257 -3.798 1.00 0.00 C ATOM 1991 O ALA A 129 8.367 -8.212 -4.799 1.00 0.00 O ATOM 1992 CB ALA A 129 5.624 -9.587 -4.297 1.00 0.00 C ATOM 0 H ALA A 129 5.646 -9.326 -1.783 1.00 0.00 H new ATOM 0 HA ALA A 129 7.508 -10.381 -3.707 1.00 0.00 H new ATOM 0 HB1 ALA A 129 5.883 -9.518 -5.354 1.00 0.00 H new ATOM 0 HB2 ALA A 129 5.113 -10.531 -4.109 1.00 0.00 H new ATOM 0 HB3 ALA A 129 4.967 -8.760 -4.030 1.00 0.00 H new ATOM 1998 N PHE A 130 7.549 -7.233 -2.965 1.00 0.00 N ATOM 1999 CA PHE A 130 8.275 -6.000 -3.212 1.00 0.00 C ATOM 2000 C PHE A 130 9.756 -6.231 -2.970 1.00 0.00 C ATOM 2001 O PHE A 130 10.598 -5.843 -3.782 1.00 0.00 O ATOM 2002 CB PHE A 130 7.761 -4.872 -2.316 1.00 0.00 C ATOM 2003 CG PHE A 130 8.432 -3.556 -2.583 1.00 0.00 C ATOM 2004 CD1 PHE A 130 8.091 -2.808 -3.695 1.00 0.00 C ATOM 2005 CD2 PHE A 130 9.397 -3.066 -1.722 1.00 0.00 C ATOM 2006 CE1 PHE A 130 8.700 -1.596 -3.947 1.00 0.00 C ATOM 2007 CE2 PHE A 130 10.012 -1.853 -1.970 1.00 0.00 C ATOM 2008 CZ PHE A 130 9.662 -1.118 -3.082 1.00 0.00 C ATOM 0 H PHE A 130 6.972 -7.231 -2.124 1.00 0.00 H new ATOM 0 HA PHE A 130 8.117 -5.701 -4.248 1.00 0.00 H new ATOM 0 HB2 PHE A 130 6.686 -4.761 -2.462 1.00 0.00 H new ATOM 0 HB3 PHE A 130 7.915 -5.146 -1.272 1.00 0.00 H new ATOM 0 HD1 PHE A 130 7.338 -3.178 -4.375 1.00 0.00 H new ATOM 0 HD2 PHE A 130 9.673 -3.637 -0.847 1.00 0.00 H new ATOM 0 HE1 PHE A 130 8.424 -1.023 -4.820 1.00 0.00 H new ATOM 0 HE2 PHE A 130 10.767 -1.481 -1.292 1.00 0.00 H new ATOM 0 HZ PHE A 130 10.140 -0.169 -3.276 1.00 0.00 H new ATOM 2018 N MET A 131 10.068 -6.879 -1.853 1.00 0.00 N ATOM 2019 CA MET A 131 11.439 -7.254 -1.559 1.00 0.00 C ATOM 2020 C MET A 131 11.918 -8.281 -2.579 1.00 0.00 C ATOM 2021 O MET A 131 13.087 -8.288 -2.953 1.00 0.00 O ATOM 2022 CB MET A 131 11.579 -7.787 -0.123 1.00 0.00 C ATOM 2023 CG MET A 131 10.842 -9.094 0.135 1.00 0.00 C ATOM 2024 SD MET A 131 11.050 -9.699 1.822 1.00 0.00 S ATOM 2025 CE MET A 131 12.821 -9.988 1.866 1.00 0.00 C ATOM 0 H MET A 131 9.391 -7.153 -1.141 1.00 0.00 H new ATOM 0 HA MET A 131 12.067 -6.366 -1.631 1.00 0.00 H new ATOM 0 HB2 MET A 131 12.637 -7.930 0.097 1.00 0.00 H new ATOM 0 HB3 MET A 131 11.209 -7.032 0.570 1.00 0.00 H new ATOM 0 HG2 MET A 131 9.780 -8.952 -0.066 1.00 0.00 H new ATOM 0 HG3 MET A 131 11.200 -9.851 -0.563 1.00 0.00 H new ATOM 0 HE1 MET A 131 13.066 -10.619 2.721 1.00 0.00 H new ATOM 0 HE2 MET A 131 13.131 -10.486 0.947 1.00 0.00 H new ATOM 0 HE3 MET A 131 13.343 -9.035 1.957 1.00 0.00 H new ATOM 2035 N ALA A 132 11.001 -9.136 -3.042 1.00 0.00 N ATOM 2036 CA ALA A 132 11.296 -10.071 -4.119 1.00 0.00 C ATOM 2037 C ALA A 132 11.723 -9.334 -5.384 1.00 0.00 C ATOM 2038 O ALA A 132 12.700 -9.711 -6.033 1.00 0.00 O ATOM 2039 CB ALA A 132 10.075 -10.943 -4.403 1.00 0.00 C ATOM 0 H ALA A 132 10.048 -9.196 -2.683 1.00 0.00 H new ATOM 0 HA ALA A 132 12.124 -10.706 -3.803 1.00 0.00 H new ATOM 0 HB1 ALA A 132 10.305 -11.639 -5.210 1.00 0.00 H new ATOM 0 HB2 ALA A 132 9.811 -11.502 -3.506 1.00 0.00 H new ATOM 0 HB3 ALA A 132 9.237 -10.311 -4.697 1.00 0.00 H new ATOM 2045 N LEU A 133 11.012 -8.261 -5.709 1.00 0.00 N ATOM 2046 CA LEU A 133 11.271 -7.509 -6.928 1.00 0.00 C ATOM 2047 C LEU A 133 12.631 -6.831 -6.884 1.00 0.00 C ATOM 2048 O LEU A 133 13.343 -6.804 -7.880 1.00 0.00 O ATOM 2049 CB LEU A 133 10.185 -6.457 -7.159 1.00 0.00 C ATOM 2050 CG LEU A 133 9.188 -6.779 -8.278 1.00 0.00 C ATOM 2051 CD1 LEU A 133 8.366 -8.013 -7.939 1.00 0.00 C ATOM 2052 CD2 LEU A 133 8.288 -5.583 -8.537 1.00 0.00 C ATOM 0 H LEU A 133 10.249 -7.892 -5.142 1.00 0.00 H new ATOM 0 HA LEU A 133 11.263 -8.221 -7.753 1.00 0.00 H new ATOM 0 HB2 LEU A 133 9.631 -6.320 -6.230 1.00 0.00 H new ATOM 0 HB3 LEU A 133 10.666 -5.506 -7.386 1.00 0.00 H new ATOM 0 HG LEU A 133 9.749 -6.995 -9.187 1.00 0.00 H new ATOM 0 HD11 LEU A 133 7.667 -8.219 -8.750 1.00 0.00 H new ATOM 0 HD12 LEU A 133 9.030 -8.867 -7.807 1.00 0.00 H new ATOM 0 HD13 LEU A 133 7.811 -7.839 -7.017 1.00 0.00 H new ATOM 0 HD21 LEU A 133 7.584 -5.823 -9.334 1.00 0.00 H new ATOM 0 HD22 LEU A 133 7.738 -5.338 -7.628 1.00 0.00 H new ATOM 0 HD23 LEU A 133 8.895 -4.728 -8.835 1.00 0.00 H new ATOM 2064 N ARG A 134 12.991 -6.284 -5.733 1.00 0.00 N ATOM 2065 CA ARG A 134 14.256 -5.571 -5.597 1.00 0.00 C ATOM 2066 C ARG A 134 15.434 -6.538 -5.531 1.00 0.00 C ATOM 2067 O ARG A 134 16.558 -6.181 -5.888 1.00 0.00 O ATOM 2068 CB ARG A 134 14.246 -4.699 -4.342 1.00 0.00 C ATOM 2069 CG ARG A 134 13.000 -3.838 -4.197 1.00 0.00 C ATOM 2070 CD ARG A 134 13.049 -2.998 -2.930 1.00 0.00 C ATOM 2071 NE ARG A 134 13.825 -1.774 -3.104 1.00 0.00 N ATOM 2072 CZ ARG A 134 15.072 -1.601 -2.668 1.00 0.00 C ATOM 2073 NH1 ARG A 134 15.713 -2.583 -2.036 1.00 0.00 N ATOM 2074 NH2 ARG A 134 15.677 -0.437 -2.858 1.00 0.00 N ATOM 0 H ARG A 134 12.430 -6.319 -4.882 1.00 0.00 H new ATOM 0 HA ARG A 134 14.372 -4.940 -6.478 1.00 0.00 H new ATOM 0 HB2 ARG A 134 14.336 -5.341 -3.465 1.00 0.00 H new ATOM 0 HB3 ARG A 134 15.123 -4.052 -4.355 1.00 0.00 H new ATOM 0 HG2 ARG A 134 12.904 -3.185 -5.065 1.00 0.00 H new ATOM 0 HG3 ARG A 134 12.116 -4.475 -4.179 1.00 0.00 H new ATOM 0 HD2 ARG A 134 12.034 -2.741 -2.628 1.00 0.00 H new ATOM 0 HD3 ARG A 134 13.482 -3.588 -2.123 1.00 0.00 H new ATOM 0 HE ARG A 134 13.382 -0.997 -3.594 1.00 0.00 H new ATOM 0 HH11 ARG A 134 15.249 -3.478 -1.882 1.00 0.00 H new ATOM 0 HH12 ARG A 134 16.668 -2.440 -1.706 1.00 0.00 H new ATOM 0 HH21 ARG A 134 15.188 0.320 -3.336 1.00 0.00 H new ATOM 0 HH22 ARG A 134 16.632 -0.298 -2.527 1.00 0.00 H new ATOM 2088 N ALA A 135 15.175 -7.760 -5.082 1.00 0.00 N ATOM 2089 CA ALA A 135 16.235 -8.748 -4.906 1.00 0.00 C ATOM 2090 C ALA A 135 16.487 -9.525 -6.195 1.00 0.00 C ATOM 2091 O ALA A 135 17.627 -9.870 -6.510 1.00 0.00 O ATOM 2092 CB ALA A 135 15.886 -9.697 -3.768 1.00 0.00 C ATOM 0 H ALA A 135 14.243 -8.091 -4.833 1.00 0.00 H new ATOM 0 HA ALA A 135 17.153 -8.218 -4.653 1.00 0.00 H new ATOM 0 HB1 ALA A 135 16.684 -10.429 -3.647 1.00 0.00 H new ATOM 0 HB2 ALA A 135 15.770 -9.130 -2.844 1.00 0.00 H new ATOM 0 HB3 ALA A 135 14.953 -10.212 -3.997 1.00 0.00 H new ATOM 2098 N ALA A 136 15.423 -9.795 -6.938 1.00 0.00 N ATOM 2099 CA ALA A 136 15.535 -10.551 -8.177 1.00 0.00 C ATOM 2100 C ALA A 136 15.664 -9.617 -9.374 1.00 0.00 C ATOM 2101 O ALA A 136 16.340 -9.947 -10.352 1.00 0.00 O ATOM 2102 CB ALA A 136 14.335 -11.471 -8.345 1.00 0.00 C ATOM 0 H ALA A 136 14.474 -9.502 -6.705 1.00 0.00 H new ATOM 0 HA ALA A 136 16.437 -11.160 -8.125 1.00 0.00 H new ATOM 0 HB1 ALA A 136 14.432 -12.030 -9.276 1.00 0.00 H new ATOM 0 HB2 ALA A 136 14.290 -12.167 -7.507 1.00 0.00 H new ATOM 0 HB3 ALA A 136 13.422 -10.877 -8.373 1.00 0.00 H new