USER MOD reduce.3.24.130724 H: found=0, std=0, add=767, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 766 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 10 THR OG1 : rot -60:sc= -0.0353 USER MOD Single : A 14 SER OG : rot -47:sc= 0.0791 USER MOD Single : A 15 GLN : amide:sc= -0.248 X(o=-0.25,f=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 18:sc= 1.21 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ -173:sc= 2.1 (180deg=1.92) USER MOD Single : A 28 SER OG : rot 180:sc= -0.354 USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 180:sc=-0.00314 USER MOD Single : A 47 GLN : amide:sc= 1.93 K(o=1.9,f=-0.21) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 LYS NZ :NH3+ -174:sc= 1.25 (180deg=1.16) USER MOD Single : A 63 MET CE :methyl -154:sc= -1.88 (180deg=-3.24!) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.242 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= -0.397 K(o=-0.4,f=-6.7!) USER MOD Single : A 76 CYS SG : rot 180:sc= 0.0679 USER MOD Single : A 80 HIS : no HD1:sc= -0.211 X(o=-0.21,f=-0.053) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0.071 USER MOD Single : A 82 HIS : no HE2:sc= -0.377 K(o=-0.38,f=-0.9) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 GLN : amide:sc= 0.682 K(o=0.68,f=0) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 96 GLN : amide:sc= -0.183 K(o=-0.18,f=-1.5) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc=-0.00024 K(o=-0.00024,f=-1) USER MOD Single : A 103 CYS SG : rot 115:sc= 0.582 USER MOD Single : A 106 TYR OH : rot 30:sc= 0.375 USER MOD ----------------------------------------------------------------- ATOM 85 N PHE A 9 9.763 -13.841 -3.186 1.00 0.00 N ATOM 86 CA PHE A 9 8.419 -13.302 -3.289 1.00 0.00 C ATOM 87 C PHE A 9 7.454 -14.155 -2.471 1.00 0.00 C ATOM 88 O PHE A 9 7.706 -15.339 -2.195 1.00 0.00 O ATOM 89 CB PHE A 9 8.000 -13.274 -4.760 1.00 0.00 C ATOM 90 CG PHE A 9 6.567 -12.844 -5.028 1.00 0.00 C ATOM 91 CD1 PHE A 9 5.513 -13.779 -4.978 1.00 0.00 C ATOM 92 CD2 PHE A 9 6.276 -11.495 -5.299 1.00 0.00 C ATOM 93 CE1 PHE A 9 4.204 -13.363 -5.254 1.00 0.00 C ATOM 94 CE2 PHE A 9 4.951 -11.083 -5.547 1.00 0.00 C ATOM 95 CZ PHE A 9 3.919 -12.034 -5.538 1.00 0.00 C ATOM 0 HA PHE A 9 8.397 -12.286 -2.894 1.00 0.00 H new ATOM 0 HB2 PHE A 9 8.669 -12.601 -5.297 1.00 0.00 H new ATOM 0 HB3 PHE A 9 8.146 -14.269 -5.180 1.00 0.00 H new ATOM 0 HD1 PHE A 9 5.714 -14.810 -4.728 1.00 0.00 H new ATOM 0 HD2 PHE A 9 7.075 -10.768 -5.317 1.00 0.00 H new ATOM 0 HE1 PHE A 9 3.403 -14.088 -5.246 1.00 0.00 H new ATOM 0 HE2 PHE A 9 4.732 -10.044 -5.742 1.00 0.00 H new ATOM 0 HZ PHE A 9 2.904 -11.733 -5.752 1.00 0.00 H new ATOM 105 N THR A 10 6.335 -13.541 -2.117 1.00 0.00 N ATOM 106 CA THR A 10 5.250 -14.090 -1.341 1.00 0.00 C ATOM 107 C THR A 10 4.435 -15.100 -2.168 1.00 0.00 C ATOM 108 O THR A 10 4.983 -16.131 -2.554 1.00 0.00 O ATOM 109 CB THR A 10 4.484 -12.869 -0.790 1.00 0.00 C ATOM 110 OG1 THR A 10 5.393 -11.946 -0.242 1.00 0.00 O ATOM 111 CG2 THR A 10 3.458 -13.132 0.307 1.00 0.00 C ATOM 0 H THR A 10 6.155 -12.574 -2.388 1.00 0.00 H new ATOM 0 HA THR A 10 5.572 -14.697 -0.495 1.00 0.00 H new ATOM 0 HB THR A 10 3.938 -12.512 -1.663 1.00 0.00 H new ATOM 0 HG1 THR A 10 5.891 -12.371 0.487 1.00 0.00 H new ATOM 0 HG21 THR A 10 2.993 -12.192 0.604 1.00 0.00 H new ATOM 0 HG22 THR A 10 2.693 -13.813 -0.066 1.00 0.00 H new ATOM 0 HG23 THR A 10 3.953 -13.580 1.169 1.00 0.00 H new ATOM 119 N ARG A 11 3.152 -14.806 -2.415 1.00 0.00 N ATOM 120 CA ARG A 11 2.071 -15.479 -3.132 1.00 0.00 C ATOM 121 C ARG A 11 0.830 -15.312 -2.279 1.00 0.00 C ATOM 122 O ARG A 11 0.040 -14.418 -2.560 1.00 0.00 O ATOM 123 CB ARG A 11 2.353 -16.928 -3.563 1.00 0.00 C ATOM 124 CG ARG A 11 2.999 -16.930 -4.958 1.00 0.00 C ATOM 125 CD ARG A 11 3.976 -18.077 -5.215 1.00 0.00 C ATOM 126 NE ARG A 11 3.335 -19.398 -5.149 1.00 0.00 N ATOM 127 CZ ARG A 11 3.603 -20.369 -4.266 1.00 0.00 C ATOM 128 NH1 ARG A 11 4.481 -20.197 -3.282 1.00 0.00 N ATOM 129 NH2 ARG A 11 2.994 -21.539 -4.382 1.00 0.00 N ATOM 0 H ARG A 11 2.792 -13.927 -2.044 1.00 0.00 H new ATOM 0 HA ARG A 11 1.940 -15.010 -4.107 1.00 0.00 H new ATOM 0 HB2 ARG A 11 3.014 -17.411 -2.843 1.00 0.00 H new ATOM 0 HB3 ARG A 11 1.426 -17.501 -3.579 1.00 0.00 H new ATOM 0 HG2 ARG A 11 2.209 -16.971 -5.708 1.00 0.00 H new ATOM 0 HG3 ARG A 11 3.525 -15.986 -5.100 1.00 0.00 H new ATOM 0 HD2 ARG A 11 4.430 -17.948 -6.197 1.00 0.00 H new ATOM 0 HD3 ARG A 11 4.782 -18.032 -4.483 1.00 0.00 H new ATOM 0 HE ARG A 11 2.615 -19.595 -5.844 1.00 0.00 H new ATOM 0 HH11 ARG A 11 4.971 -19.307 -3.185 1.00 0.00 H new ATOM 0 HH12 ARG A 11 4.665 -20.955 -2.624 1.00 0.00 H new ATOM 0 HH21 ARG A 11 2.328 -21.694 -5.139 1.00 0.00 H new ATOM 0 HH22 ARG A 11 3.191 -22.285 -3.715 1.00 0.00 H new ATOM 143 N ASP A 12 0.704 -16.066 -1.192 1.00 0.00 N ATOM 144 CA ASP A 12 -0.549 -16.136 -0.428 1.00 0.00 C ATOM 145 C ASP A 12 -0.610 -15.181 0.769 1.00 0.00 C ATOM 146 O ASP A 12 -1.465 -15.320 1.637 1.00 0.00 O ATOM 147 CB ASP A 12 -0.759 -17.570 0.055 1.00 0.00 C ATOM 148 CG ASP A 12 -2.194 -17.778 0.546 1.00 0.00 C ATOM 149 OD1 ASP A 12 -3.133 -17.625 -0.258 1.00 0.00 O ATOM 150 OD2 ASP A 12 -2.390 -18.188 1.715 1.00 0.00 O ATOM 0 H ASP A 12 1.456 -16.643 -0.814 1.00 0.00 H new ATOM 0 HA ASP A 12 -1.342 -15.821 -1.106 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -0.544 -18.266 -0.756 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -0.059 -17.793 0.861 1.00 0.00 H new ATOM 155 N ALA A 13 0.321 -14.238 0.903 1.00 0.00 N ATOM 156 CA ALA A 13 0.526 -13.387 2.080 1.00 0.00 C ATOM 157 C ALA A 13 1.048 -14.155 3.305 1.00 0.00 C ATOM 158 O ALA A 13 1.851 -13.586 4.037 1.00 0.00 O ATOM 159 CB ALA A 13 -0.706 -12.534 2.392 1.00 0.00 C ATOM 0 H ALA A 13 0.987 -14.034 0.158 1.00 0.00 H new ATOM 0 HA ALA A 13 1.327 -12.696 1.818 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.510 -11.920 3.271 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -0.928 -11.890 1.541 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -1.559 -13.184 2.587 1.00 0.00 H new ATOM 165 N SER A 14 0.766 -15.456 3.459 1.00 0.00 N ATOM 166 CA SER A 14 1.363 -16.342 4.468 1.00 0.00 C ATOM 167 C SER A 14 2.860 -16.635 4.214 1.00 0.00 C ATOM 168 O SER A 14 3.432 -17.594 4.733 1.00 0.00 O ATOM 169 CB SER A 14 0.516 -17.622 4.596 1.00 0.00 C ATOM 170 OG SER A 14 0.755 -18.261 5.839 1.00 0.00 O ATOM 0 H SER A 14 0.092 -15.937 2.863 1.00 0.00 H new ATOM 0 HA SER A 14 1.348 -15.821 5.425 1.00 0.00 H new ATOM 0 HB2 SER A 14 -0.542 -17.374 4.507 1.00 0.00 H new ATOM 0 HB3 SER A 14 0.754 -18.304 3.780 1.00 0.00 H new ATOM 0 HG SER A 14 1.720 -18.313 6.000 1.00 0.00 H new ATOM 176 N GLN A 15 3.519 -15.821 3.392 1.00 0.00 N ATOM 177 CA GLN A 15 4.961 -15.781 3.207 1.00 0.00 C ATOM 178 C GLN A 15 5.532 -14.435 3.679 1.00 0.00 C ATOM 179 O GLN A 15 6.757 -14.298 3.747 1.00 0.00 O ATOM 180 CB GLN A 15 5.250 -15.999 1.718 1.00 0.00 C ATOM 181 CG GLN A 15 5.000 -17.420 1.206 1.00 0.00 C ATOM 182 CD GLN A 15 6.076 -18.409 1.633 1.00 0.00 C ATOM 183 OE1 GLN A 15 5.770 -19.497 2.115 1.00 0.00 O ATOM 184 NE2 GLN A 15 7.344 -18.080 1.459 1.00 0.00 N ATOM 0 H GLN A 15 3.034 -15.139 2.809 1.00 0.00 H new ATOM 0 HA GLN A 15 5.437 -16.561 3.801 1.00 0.00 H new ATOM 0 HB2 GLN A 15 4.635 -15.309 1.140 1.00 0.00 H new ATOM 0 HB3 GLN A 15 6.290 -15.738 1.524 1.00 0.00 H new ATOM 0 HG2 GLN A 15 4.033 -17.766 1.570 1.00 0.00 H new ATOM 0 HG3 GLN A 15 4.943 -17.402 0.118 1.00 0.00 H new ATOM 0 HE21 GLN A 15 7.585 -17.174 1.058 1.00 0.00 H new ATOM 0 HE22 GLN A 15 8.081 -18.732 1.726 1.00 0.00 H new ATOM 193 N LEU A 16 4.694 -13.428 3.965 1.00 0.00 N ATOM 194 CA LEU A 16 5.144 -12.204 4.617 1.00 0.00 C ATOM 195 C LEU A 16 5.478 -12.544 6.064 1.00 0.00 C ATOM 196 O LEU A 16 5.010 -13.560 6.590 1.00 0.00 O ATOM 197 CB LEU A 16 4.068 -11.096 4.609 1.00 0.00 C ATOM 198 CG LEU A 16 3.642 -10.546 3.235 1.00 0.00 C ATOM 199 CD1 LEU A 16 2.764 -9.300 3.396 1.00 0.00 C ATOM 200 CD2 LEU A 16 4.830 -10.149 2.351 1.00 0.00 C ATOM 0 H LEU A 16 3.697 -13.444 3.751 1.00 0.00 H new ATOM 0 HA LEU A 16 6.007 -11.825 4.071 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.180 -11.482 5.110 1.00 0.00 H new ATOM 0 HB3 LEU A 16 4.435 -10.263 5.209 1.00 0.00 H new ATOM 0 HG LEU A 16 3.097 -11.360 2.756 1.00 0.00 H new ATOM 0 HD11 LEU A 16 2.475 -8.929 2.413 1.00 0.00 H new ATOM 0 HD12 LEU A 16 1.870 -9.556 3.964 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.322 -8.528 3.926 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.463 -9.769 1.397 1.00 0.00 H new ATOM 0 HD22 LEU A 16 5.412 -9.374 2.850 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.461 -11.021 2.176 1.00 0.00 H new ATOM 212 N LYS A 17 6.232 -11.676 6.732 1.00 0.00 N ATOM 213 CA LYS A 17 6.546 -11.765 8.134 1.00 0.00 C ATOM 214 C LYS A 17 6.455 -10.373 8.721 1.00 0.00 C ATOM 215 O LYS A 17 7.007 -9.431 8.146 1.00 0.00 O ATOM 216 CB LYS A 17 7.949 -12.331 8.284 1.00 0.00 C ATOM 217 CG LYS A 17 7.866 -13.853 8.305 1.00 0.00 C ATOM 218 CD LYS A 17 9.220 -14.447 8.650 1.00 0.00 C ATOM 219 CE LYS A 17 9.054 -15.957 8.549 1.00 0.00 C ATOM 220 NZ LYS A 17 10.347 -16.651 8.666 1.00 0.00 N ATOM 0 H LYS A 17 6.653 -10.862 6.283 1.00 0.00 H new ATOM 0 HA LYS A 17 5.852 -12.421 8.659 1.00 0.00 H new ATOM 0 HB2 LYS A 17 8.580 -11.999 7.459 1.00 0.00 H new ATOM 0 HB3 LYS A 17 8.407 -11.965 9.203 1.00 0.00 H new ATOM 0 HG2 LYS A 17 7.123 -14.174 9.035 1.00 0.00 H new ATOM 0 HG3 LYS A 17 7.537 -14.220 7.333 1.00 0.00 H new ATOM 0 HD2 LYS A 17 9.988 -14.092 7.963 1.00 0.00 H new ATOM 0 HD3 LYS A 17 9.530 -14.155 9.653 1.00 0.00 H new ATOM 0 HE2 LYS A 17 8.382 -16.303 9.334 1.00 0.00 H new ATOM 0 HE3 LYS A 17 8.589 -16.210 7.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 10.198 -17.678 8.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 10.979 -16.338 7.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 10.778 -16.428 9.586 1.00 0.00 H new ATOM 234 N GLY A 18 5.744 -10.272 9.837 1.00 0.00 N ATOM 235 CA GLY A 18 5.453 -9.024 10.516 1.00 0.00 C ATOM 236 C GLY A 18 4.141 -9.181 11.269 1.00 0.00 C ATOM 237 O GLY A 18 3.925 -10.203 11.929 1.00 0.00 O ATOM 0 H GLY A 18 5.343 -11.084 10.306 1.00 0.00 H new ATOM 0 HA2 GLY A 18 6.258 -8.771 11.206 1.00 0.00 H new ATOM 0 HA3 GLY A 18 5.382 -8.208 9.796 1.00 0.00 H new ATOM 241 N THR A 19 3.236 -8.210 11.158 1.00 0.00 N ATOM 242 CA THR A 19 1.882 -8.294 11.707 1.00 0.00 C ATOM 243 C THR A 19 0.895 -7.837 10.631 1.00 0.00 C ATOM 244 O THR A 19 1.272 -7.056 9.763 1.00 0.00 O ATOM 245 CB THR A 19 1.829 -7.454 12.994 1.00 0.00 C ATOM 246 OG1 THR A 19 2.770 -7.975 13.916 1.00 0.00 O ATOM 247 CG2 THR A 19 0.463 -7.504 13.686 1.00 0.00 C ATOM 0 H THR A 19 3.424 -7.330 10.678 1.00 0.00 H new ATOM 0 HA THR A 19 1.605 -9.312 11.980 1.00 0.00 H new ATOM 0 HB THR A 19 2.039 -6.424 12.705 1.00 0.00 H new ATOM 0 HG1 THR A 19 2.747 -7.446 14.741 1.00 0.00 H new ATOM 0 HG21 THR A 19 0.489 -6.892 14.588 1.00 0.00 H new ATOM 0 HG22 THR A 19 -0.302 -7.122 13.010 1.00 0.00 H new ATOM 0 HG23 THR A 19 0.228 -8.534 13.954 1.00 0.00 H new ATOM 255 N PHE A 20 -0.351 -8.316 10.650 1.00 0.00 N ATOM 256 CA PHE A 20 -1.370 -7.942 9.669 1.00 0.00 C ATOM 257 C PHE A 20 -2.429 -7.076 10.336 1.00 0.00 C ATOM 258 O PHE A 20 -2.761 -7.268 11.512 1.00 0.00 O ATOM 259 CB PHE A 20 -2.010 -9.188 9.045 1.00 0.00 C ATOM 260 CG PHE A 20 -1.286 -9.763 7.843 1.00 0.00 C ATOM 261 CD1 PHE A 20 0.087 -10.070 7.901 1.00 0.00 C ATOM 262 CD2 PHE A 20 -2.000 -10.003 6.653 1.00 0.00 C ATOM 263 CE1 PHE A 20 0.747 -10.558 6.764 1.00 0.00 C ATOM 264 CE2 PHE A 20 -1.342 -10.519 5.524 1.00 0.00 C ATOM 265 CZ PHE A 20 0.038 -10.775 5.573 1.00 0.00 C ATOM 0 H PHE A 20 -0.682 -8.978 11.351 1.00 0.00 H new ATOM 0 HA PHE A 20 -0.895 -7.373 8.869 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -2.078 -9.961 9.810 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -3.030 -8.941 8.749 1.00 0.00 H new ATOM 0 HD1 PHE A 20 0.633 -9.929 8.822 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -3.058 -9.789 6.608 1.00 0.00 H new ATOM 0 HE1 PHE A 20 1.806 -10.768 6.805 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -1.897 -10.719 4.619 1.00 0.00 H new ATOM 0 HZ PHE A 20 0.552 -11.138 4.696 1.00 0.00 H new ATOM 275 N LEU A 21 -2.967 -6.130 9.575 1.00 0.00 N ATOM 276 CA LEU A 21 -3.998 -5.184 9.950 1.00 0.00 C ATOM 277 C LEU A 21 -5.081 -5.226 8.872 1.00 0.00 C ATOM 278 O LEU A 21 -4.857 -5.747 7.775 1.00 0.00 O ATOM 279 CB LEU A 21 -3.444 -3.749 9.997 1.00 0.00 C ATOM 280 CG LEU A 21 -2.024 -3.460 10.506 1.00 0.00 C ATOM 281 CD1 LEU A 21 -1.786 -3.874 11.957 1.00 0.00 C ATOM 282 CD2 LEU A 21 -0.912 -3.976 9.587 1.00 0.00 C ATOM 0 H LEU A 21 -2.668 -5.999 8.609 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.381 -5.450 10.935 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.506 -3.351 8.984 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.128 -3.164 10.612 1.00 0.00 H new ATOM 0 HG LEU A 21 -1.965 -2.372 10.481 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.760 -3.637 12.240 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.476 -3.335 12.607 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -1.952 -4.946 12.061 1.00 0.00 H new ATOM 0 HD21 LEU A 21 0.059 -3.732 10.018 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -1.000 -5.057 9.481 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -1.003 -3.507 8.607 1.00 0.00 H new ATOM 294 N SER A 22 -6.214 -4.577 9.123 1.00 0.00 N ATOM 295 CA SER A 22 -7.111 -4.183 8.051 1.00 0.00 C ATOM 296 C SER A 22 -7.911 -2.955 8.471 1.00 0.00 C ATOM 297 O SER A 22 -8.184 -2.760 9.663 1.00 0.00 O ATOM 298 CB SER A 22 -8.031 -5.356 7.678 1.00 0.00 C ATOM 299 OG SER A 22 -8.734 -5.104 6.475 1.00 0.00 O ATOM 0 H SER A 22 -6.529 -4.315 10.057 1.00 0.00 H new ATOM 0 HA SER A 22 -6.531 -3.920 7.167 1.00 0.00 H new ATOM 0 HB2 SER A 22 -7.438 -6.264 7.570 1.00 0.00 H new ATOM 0 HB3 SER A 22 -8.742 -5.533 8.485 1.00 0.00 H new ATOM 0 HG SER A 22 -8.289 -4.384 5.981 1.00 0.00 H new ATOM 305 N THR A 23 -8.353 -2.180 7.482 1.00 0.00 N ATOM 306 CA THR A 23 -9.231 -1.035 7.639 1.00 0.00 C ATOM 307 C THR A 23 -10.174 -0.958 6.439 1.00 0.00 C ATOM 308 O THR A 23 -9.872 -1.490 5.368 1.00 0.00 O ATOM 309 CB THR A 23 -8.412 0.250 7.887 1.00 0.00 C ATOM 310 OG1 THR A 23 -9.239 1.349 8.232 1.00 0.00 O ATOM 311 CG2 THR A 23 -7.569 0.679 6.681 1.00 0.00 C ATOM 0 H THR A 23 -8.094 -2.345 6.509 1.00 0.00 H new ATOM 0 HA THR A 23 -9.857 -1.148 8.524 1.00 0.00 H new ATOM 0 HB THR A 23 -7.751 -0.011 8.713 1.00 0.00 H new ATOM 0 HG1 THR A 23 -8.683 2.142 8.382 1.00 0.00 H new ATOM 0 HG21 THR A 23 -7.020 1.588 6.926 1.00 0.00 H new ATOM 0 HG22 THR A 23 -6.864 -0.114 6.429 1.00 0.00 H new ATOM 0 HG23 THR A 23 -8.222 0.868 5.829 1.00 0.00 H new ATOM 319 N THR A 24 -11.310 -0.288 6.613 1.00 0.00 N ATOM 320 CA THR A 24 -12.224 0.059 5.541 1.00 0.00 C ATOM 321 C THR A 24 -12.402 1.569 5.603 1.00 0.00 C ATOM 322 O THR A 24 -12.935 2.077 6.591 1.00 0.00 O ATOM 323 CB THR A 24 -13.573 -0.660 5.700 1.00 0.00 C ATOM 324 OG1 THR A 24 -13.393 -2.022 6.030 1.00 0.00 O ATOM 325 CG2 THR A 24 -14.415 -0.564 4.425 1.00 0.00 C ATOM 0 H THR A 24 -11.624 0.034 7.528 1.00 0.00 H new ATOM 0 HA THR A 24 -11.825 -0.253 4.576 1.00 0.00 H new ATOM 0 HB THR A 24 -14.099 -0.159 6.512 1.00 0.00 H new ATOM 0 HG1 THR A 24 -14.268 -2.454 6.126 1.00 0.00 H new ATOM 0 HG21 THR A 24 -15.362 -1.083 4.574 1.00 0.00 H new ATOM 0 HG22 THR A 24 -14.608 0.484 4.195 1.00 0.00 H new ATOM 0 HG23 THR A 24 -13.875 -1.024 3.597 1.00 0.00 H new ATOM 333 N LEU A 25 -11.955 2.302 4.579 1.00 0.00 N ATOM 334 CA LEU A 25 -12.166 3.741 4.532 1.00 0.00 C ATOM 335 C LEU A 25 -13.367 4.009 3.641 1.00 0.00 C ATOM 336 O LEU A 25 -13.539 3.352 2.606 1.00 0.00 O ATOM 337 CB LEU A 25 -10.964 4.475 3.922 1.00 0.00 C ATOM 338 CG LEU A 25 -9.572 4.253 4.545 1.00 0.00 C ATOM 339 CD1 LEU A 25 -8.666 5.408 4.131 1.00 0.00 C ATOM 340 CD2 LEU A 25 -9.580 4.187 6.078 1.00 0.00 C ATOM 0 H LEU A 25 -11.449 1.921 3.780 1.00 0.00 H new ATOM 0 HA LEU A 25 -12.313 4.099 5.551 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -10.904 4.196 2.870 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -11.176 5.544 3.957 1.00 0.00 H new ATOM 0 HG LEU A 25 -9.219 3.288 4.181 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -7.676 5.267 4.564 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -8.586 5.437 3.044 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -9.088 6.347 4.489 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -8.564 4.029 6.441 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -9.968 5.123 6.480 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -10.214 3.362 6.403 1.00 0.00 H new ATOM 352 N LYS A 26 -14.136 5.049 3.958 1.00 0.00 N ATOM 353 CA LYS A 26 -15.053 5.645 2.997 1.00 0.00 C ATOM 354 C LYS A 26 -14.245 6.605 2.132 1.00 0.00 C ATOM 355 O LYS A 26 -13.461 7.395 2.654 1.00 0.00 O ATOM 356 CB LYS A 26 -16.173 6.416 3.710 1.00 0.00 C ATOM 357 CG LYS A 26 -17.351 6.643 2.750 1.00 0.00 C ATOM 358 CD LYS A 26 -18.310 7.734 3.233 1.00 0.00 C ATOM 359 CE LYS A 26 -17.747 9.130 2.924 1.00 0.00 C ATOM 360 NZ LYS A 26 -18.731 10.194 3.206 1.00 0.00 N ATOM 0 H LYS A 26 -14.140 5.495 4.875 1.00 0.00 H new ATOM 0 HA LYS A 26 -15.518 4.864 2.395 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -16.509 5.859 4.585 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -15.795 7.374 4.068 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -16.965 6.914 1.767 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -17.901 5.710 2.630 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -19.279 7.613 2.750 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -18.474 7.632 4.306 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -16.849 9.299 3.518 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -17.450 9.178 1.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -18.313 11.120 2.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -19.578 10.047 2.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -18.996 10.165 4.211 1.00 0.00 H new ATOM 374 N LYS A 27 -14.400 6.533 0.815 1.00 0.00 N ATOM 375 CA LYS A 27 -13.878 7.498 -0.140 1.00 0.00 C ATOM 376 C LYS A 27 -14.624 8.815 0.070 1.00 0.00 C ATOM 377 O LYS A 27 -15.768 8.915 -0.364 1.00 0.00 O ATOM 378 CB LYS A 27 -14.067 6.905 -1.551 1.00 0.00 C ATOM 379 CG LYS A 27 -13.388 7.754 -2.629 1.00 0.00 C ATOM 380 CD LYS A 27 -13.053 6.930 -3.876 1.00 0.00 C ATOM 381 CE LYS A 27 -12.514 7.812 -5.010 1.00 0.00 C ATOM 382 NZ LYS A 27 -12.130 7.012 -6.190 1.00 0.00 N ATOM 0 H LYS A 27 -14.912 5.772 0.369 1.00 0.00 H new ATOM 0 HA LYS A 27 -12.815 7.702 -0.007 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -13.660 5.894 -1.576 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -15.132 6.825 -1.770 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -14.042 8.581 -2.905 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -12.474 8.191 -2.226 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -12.313 6.170 -3.623 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -13.946 6.405 -4.216 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -13.273 8.541 -5.296 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -11.650 8.374 -4.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -11.662 7.625 -6.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -11.477 6.256 -5.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -12.980 6.590 -6.615 1.00 0.00 H new ATOM 396 N SER A 28 -14.036 9.793 0.758 1.00 0.00 N ATOM 397 CA SER A 28 -14.736 11.020 1.118 1.00 0.00 C ATOM 398 C SER A 28 -14.584 12.077 0.029 1.00 0.00 C ATOM 399 O SER A 28 -15.405 12.089 -0.887 1.00 0.00 O ATOM 400 CB SER A 28 -14.321 11.486 2.510 1.00 0.00 C ATOM 401 OG SER A 28 -14.868 10.597 3.455 1.00 0.00 O ATOM 0 H SER A 28 -13.068 9.756 1.078 1.00 0.00 H new ATOM 0 HA SER A 28 -15.806 10.823 1.179 1.00 0.00 H new ATOM 0 HB2 SER A 28 -13.235 11.509 2.595 1.00 0.00 H new ATOM 0 HB3 SER A 28 -14.676 12.500 2.693 1.00 0.00 H new ATOM 0 HG SER A 28 -14.610 10.879 4.357 1.00 0.00 H new ATOM 407 N ASN A 29 -13.592 12.968 0.097 1.00 0.00 N ATOM 408 CA ASN A 29 -13.425 14.039 -0.887 1.00 0.00 C ATOM 409 C ASN A 29 -12.245 13.649 -1.764 1.00 0.00 C ATOM 410 O ASN A 29 -11.201 13.270 -1.230 1.00 0.00 O ATOM 411 CB ASN A 29 -13.197 15.404 -0.224 1.00 0.00 C ATOM 412 CG ASN A 29 -14.378 15.859 0.629 1.00 0.00 C ATOM 413 OD1 ASN A 29 -15.274 16.559 0.160 1.00 0.00 O ATOM 414 ND2 ASN A 29 -14.441 15.439 1.881 1.00 0.00 N ATOM 0 H ASN A 29 -12.885 12.967 0.832 1.00 0.00 H new ATOM 0 HA ASN A 29 -14.334 14.149 -1.479 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -12.304 15.354 0.399 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -13.006 16.149 -0.996 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -15.237 15.695 2.465 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -13.694 14.859 2.262 1.00 0.00 H new ATOM 421 N MET A 30 -12.411 13.702 -3.090 1.00 0.00 N ATOM 422 CA MET A 30 -11.533 13.138 -4.131 1.00 0.00 C ATOM 423 C MET A 30 -11.313 11.621 -4.038 1.00 0.00 C ATOM 424 O MET A 30 -11.459 10.922 -5.041 1.00 0.00 O ATOM 425 CB MET A 30 -10.149 13.815 -4.198 1.00 0.00 C ATOM 426 CG MET A 30 -10.153 15.222 -4.788 1.00 0.00 C ATOM 427 SD MET A 30 -8.467 15.774 -5.200 1.00 0.00 S ATOM 428 CE MET A 30 -8.701 17.481 -5.765 1.00 0.00 C ATOM 0 H MET A 30 -13.219 14.173 -3.497 1.00 0.00 H new ATOM 0 HA MET A 30 -12.094 13.347 -5.042 1.00 0.00 H new ATOM 0 HB2 MET A 30 -9.733 13.859 -3.192 1.00 0.00 H new ATOM 0 HB3 MET A 30 -9.482 13.189 -4.791 1.00 0.00 H new ATOM 0 HG2 MET A 30 -10.773 15.241 -5.684 1.00 0.00 H new ATOM 0 HG3 MET A 30 -10.601 15.915 -4.076 1.00 0.00 H new ATOM 0 HE1 MET A 30 -7.737 17.909 -6.040 1.00 0.00 H new ATOM 0 HE2 MET A 30 -9.362 17.490 -6.632 1.00 0.00 H new ATOM 0 HE3 MET A 30 -9.145 18.072 -4.964 1.00 0.00 H new ATOM 438 N GLY A 31 -10.868 11.095 -2.903 1.00 0.00 N ATOM 439 CA GLY A 31 -10.038 9.908 -2.853 1.00 0.00 C ATOM 440 C GLY A 31 -9.783 9.489 -1.418 1.00 0.00 C ATOM 441 O GLY A 31 -10.477 9.936 -0.498 1.00 0.00 O ATOM 0 H GLY A 31 -11.078 11.488 -1.985 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -10.525 9.096 -3.393 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -9.089 10.101 -3.354 1.00 0.00 H new ATOM 445 N PHE A 32 -8.831 8.578 -1.243 1.00 0.00 N ATOM 446 CA PHE A 32 -8.450 8.103 0.072 1.00 0.00 C ATOM 447 C PHE A 32 -7.408 9.026 0.677 1.00 0.00 C ATOM 448 O PHE A 32 -6.601 9.623 -0.040 1.00 0.00 O ATOM 449 CB PHE A 32 -7.972 6.642 0.044 1.00 0.00 C ATOM 450 CG PHE A 32 -8.934 5.689 -0.637 1.00 0.00 C ATOM 451 CD1 PHE A 32 -9.021 5.597 -2.041 1.00 0.00 C ATOM 452 CD2 PHE A 32 -9.791 4.917 0.157 1.00 0.00 C ATOM 453 CE1 PHE A 32 -10.002 4.781 -2.635 1.00 0.00 C ATOM 454 CE2 PHE A 32 -10.765 4.107 -0.430 1.00 0.00 C ATOM 455 CZ PHE A 32 -10.883 4.037 -1.830 1.00 0.00 C ATOM 0 H PHE A 32 -8.307 8.153 -2.008 1.00 0.00 H new ATOM 0 HA PHE A 32 -9.335 8.120 0.707 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -7.010 6.596 -0.466 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -7.807 6.305 1.067 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -8.334 6.153 -2.662 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -9.698 4.948 1.233 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -10.078 4.726 -3.711 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -11.432 3.531 0.194 1.00 0.00 H new ATOM 0 HZ PHE A 32 -11.643 3.418 -2.283 1.00 0.00 H new ATOM 465 N GLY A 33 -7.375 9.090 2.006 1.00 0.00 N ATOM 466 CA GLY A 33 -6.395 9.866 2.756 1.00 0.00 C ATOM 467 C GLY A 33 -5.007 9.229 2.749 1.00 0.00 C ATOM 468 O GLY A 33 -4.247 9.449 3.681 1.00 0.00 O ATOM 0 H GLY A 33 -8.040 8.595 2.600 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -6.332 10.869 2.334 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -6.735 9.975 3.786 1.00 0.00 H new ATOM 472 N PHE A 34 -4.660 8.410 1.760 1.00 0.00 N ATOM 473 CA PHE A 34 -3.334 7.843 1.605 1.00 0.00 C ATOM 474 C PHE A 34 -3.013 7.774 0.113 1.00 0.00 C ATOM 475 O PHE A 34 -3.890 7.957 -0.734 1.00 0.00 O ATOM 476 CB PHE A 34 -3.254 6.479 2.310 1.00 0.00 C ATOM 477 CG PHE A 34 -4.100 5.387 1.682 1.00 0.00 C ATOM 478 CD1 PHE A 34 -5.441 5.232 2.070 1.00 0.00 C ATOM 479 CD2 PHE A 34 -3.557 4.505 0.731 1.00 0.00 C ATOM 480 CE1 PHE A 34 -6.256 4.254 1.488 1.00 0.00 C ATOM 481 CE2 PHE A 34 -4.364 3.492 0.178 1.00 0.00 C ATOM 482 CZ PHE A 34 -5.712 3.358 0.551 1.00 0.00 C ATOM 0 H PHE A 34 -5.311 8.119 1.031 1.00 0.00 H new ATOM 0 HA PHE A 34 -2.580 8.469 2.081 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -2.214 6.152 2.321 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -3.560 6.604 3.349 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -5.851 5.879 2.831 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -2.526 4.604 0.426 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -7.300 4.188 1.758 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -3.941 2.808 -0.543 1.00 0.00 H new ATOM 0 HZ PHE A 34 -6.323 2.577 0.123 1.00 0.00 H new ATOM 492 N THR A 35 -1.755 7.517 -0.215 1.00 0.00 N ATOM 493 CA THR A 35 -1.262 7.300 -1.569 1.00 0.00 C ATOM 494 C THR A 35 -0.527 5.961 -1.583 1.00 0.00 C ATOM 495 O THR A 35 -0.136 5.478 -0.518 1.00 0.00 O ATOM 496 CB THR A 35 -0.369 8.483 -1.990 1.00 0.00 C ATOM 497 OG1 THR A 35 0.498 8.889 -0.940 1.00 0.00 O ATOM 498 CG2 THR A 35 -1.211 9.696 -2.393 1.00 0.00 C ATOM 0 H THR A 35 -1.017 7.451 0.486 1.00 0.00 H new ATOM 0 HA THR A 35 -2.073 7.255 -2.295 1.00 0.00 H new ATOM 0 HB THR A 35 0.219 8.132 -2.838 1.00 0.00 H new ATOM 0 HG1 THR A 35 1.050 9.640 -1.243 1.00 0.00 H new ATOM 0 HG21 THR A 35 -0.553 10.515 -2.685 1.00 0.00 H new ATOM 0 HG22 THR A 35 -1.854 9.430 -3.232 1.00 0.00 H new ATOM 0 HG23 THR A 35 -1.826 10.008 -1.549 1.00 0.00 H new ATOM 506 N ILE A 36 -0.338 5.343 -2.750 1.00 0.00 N ATOM 507 CA ILE A 36 0.263 4.024 -2.879 1.00 0.00 C ATOM 508 C ILE A 36 1.503 4.089 -3.780 1.00 0.00 C ATOM 509 O ILE A 36 1.696 5.022 -4.565 1.00 0.00 O ATOM 510 CB ILE A 36 -0.810 3.017 -3.359 1.00 0.00 C ATOM 511 CG1 ILE A 36 -2.120 3.145 -2.546 1.00 0.00 C ATOM 512 CG2 ILE A 36 -0.307 1.578 -3.160 1.00 0.00 C ATOM 513 CD1 ILE A 36 -3.205 4.054 -3.131 1.00 0.00 C ATOM 0 H ILE A 36 -0.604 5.756 -3.644 1.00 0.00 H new ATOM 0 HA ILE A 36 0.619 3.668 -1.912 1.00 0.00 H new ATOM 0 HB ILE A 36 -0.999 3.238 -4.410 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.542 2.148 -2.421 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.869 3.512 -1.551 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -1.068 0.876 -3.500 1.00 0.00 H new ATOM 0 HG22 ILE A 36 0.607 1.429 -3.735 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -0.102 1.407 -2.103 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -4.071 4.059 -2.469 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -2.817 5.068 -3.229 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -3.501 3.683 -4.112 1.00 0.00 H new ATOM 525 N ILE A 37 2.384 3.112 -3.609 1.00 0.00 N ATOM 526 CA ILE A 37 3.476 2.750 -4.491 1.00 0.00 C ATOM 527 C ILE A 37 3.371 1.245 -4.681 1.00 0.00 C ATOM 528 O ILE A 37 2.959 0.545 -3.764 1.00 0.00 O ATOM 529 CB ILE A 37 4.830 3.211 -3.902 1.00 0.00 C ATOM 530 CG1 ILE A 37 6.021 2.773 -4.781 1.00 0.00 C ATOM 531 CG2 ILE A 37 5.036 2.772 -2.437 1.00 0.00 C ATOM 532 CD1 ILE A 37 7.303 3.563 -4.492 1.00 0.00 C ATOM 0 H ILE A 37 2.347 2.509 -2.787 1.00 0.00 H new ATOM 0 HA ILE A 37 3.417 3.246 -5.460 1.00 0.00 H new ATOM 0 HB ILE A 37 4.793 4.300 -3.901 1.00 0.00 H new ATOM 0 HG12 ILE A 37 6.212 1.712 -4.622 1.00 0.00 H new ATOM 0 HG13 ILE A 37 5.755 2.895 -5.831 1.00 0.00 H new ATOM 0 HG21 ILE A 37 6.004 3.127 -2.084 1.00 0.00 H new ATOM 0 HG22 ILE A 37 4.246 3.194 -1.816 1.00 0.00 H new ATOM 0 HG23 ILE A 37 5.003 1.684 -2.375 1.00 0.00 H new ATOM 0 HD11 ILE A 37 8.103 3.208 -5.142 1.00 0.00 H new ATOM 0 HD12 ILE A 37 7.127 4.623 -4.678 1.00 0.00 H new ATOM 0 HD13 ILE A 37 7.591 3.420 -3.450 1.00 0.00 H new ATOM 544 N GLY A 38 3.756 0.769 -5.852 1.00 0.00 N ATOM 545 CA GLY A 38 4.242 -0.572 -6.153 1.00 0.00 C ATOM 546 C GLY A 38 5.379 -0.331 -7.112 1.00 0.00 C ATOM 547 O GLY A 38 5.361 0.700 -7.798 1.00 0.00 O ATOM 0 H GLY A 38 3.736 1.356 -6.686 1.00 0.00 H new ATOM 0 HA2 GLY A 38 4.579 -1.087 -5.254 1.00 0.00 H new ATOM 0 HA3 GLY A 38 3.463 -1.189 -6.601 1.00 0.00 H new ATOM 551 N GLY A 39 6.361 -1.229 -7.117 1.00 0.00 N ATOM 552 CA GLY A 39 7.628 -0.947 -7.747 1.00 0.00 C ATOM 553 C GLY A 39 7.425 -0.558 -9.197 1.00 0.00 C ATOM 554 O GLY A 39 7.542 0.623 -9.540 1.00 0.00 O ATOM 0 H GLY A 39 6.295 -2.153 -6.690 1.00 0.00 H new ATOM 0 HA2 GLY A 39 8.134 -0.141 -7.215 1.00 0.00 H new ATOM 0 HA3 GLY A 39 8.274 -1.823 -7.686 1.00 0.00 H new ATOM 558 N ASP A 40 7.034 -1.536 -10.010 1.00 0.00 N ATOM 559 CA ASP A 40 6.836 -1.339 -11.437 1.00 0.00 C ATOM 560 C ASP A 40 6.226 -2.580 -12.092 1.00 0.00 C ATOM 561 O ASP A 40 5.294 -2.459 -12.898 1.00 0.00 O ATOM 562 CB ASP A 40 8.164 -0.965 -12.128 1.00 0.00 C ATOM 563 CG ASP A 40 7.940 -0.281 -13.471 1.00 0.00 C ATOM 564 OD1 ASP A 40 6.893 0.381 -13.661 1.00 0.00 O ATOM 565 OD2 ASP A 40 8.803 -0.484 -14.360 1.00 0.00 O ATOM 0 H ASP A 40 6.846 -2.487 -9.694 1.00 0.00 H new ATOM 0 HA ASP A 40 6.135 -0.514 -11.561 1.00 0.00 H new ATOM 0 HB2 ASP A 40 8.737 -0.305 -11.477 1.00 0.00 H new ATOM 0 HB3 ASP A 40 8.761 -1.865 -12.275 1.00 0.00 H new ATOM 570 N GLU A 41 6.719 -3.776 -11.747 1.00 0.00 N ATOM 571 CA GLU A 41 6.166 -5.060 -12.195 1.00 0.00 C ATOM 572 C GLU A 41 5.245 -5.675 -11.128 1.00 0.00 C ATOM 573 O GLU A 41 5.335 -5.309 -9.949 1.00 0.00 O ATOM 574 CB GLU A 41 7.309 -6.024 -12.587 1.00 0.00 C ATOM 575 CG GLU A 41 7.737 -5.835 -14.056 1.00 0.00 C ATOM 576 CD GLU A 41 7.586 -7.096 -14.912 1.00 0.00 C ATOM 577 OE1 GLU A 41 6.499 -7.320 -15.489 1.00 0.00 O ATOM 578 OE2 GLU A 41 8.583 -7.839 -15.083 1.00 0.00 O ATOM 0 H GLU A 41 7.529 -3.880 -11.137 1.00 0.00 H new ATOM 0 HA GLU A 41 5.553 -4.883 -13.079 1.00 0.00 H new ATOM 0 HB2 GLU A 41 8.166 -5.857 -11.934 1.00 0.00 H new ATOM 0 HB3 GLU A 41 6.986 -7.053 -12.432 1.00 0.00 H new ATOM 0 HG2 GLU A 41 7.143 -5.035 -14.497 1.00 0.00 H new ATOM 0 HG3 GLU A 41 8.778 -5.512 -14.083 1.00 0.00 H new ATOM 585 N PRO A 42 4.366 -6.629 -11.504 1.00 0.00 N ATOM 586 CA PRO A 42 3.472 -7.350 -10.597 1.00 0.00 C ATOM 587 C PRO A 42 4.229 -8.421 -9.791 1.00 0.00 C ATOM 588 O PRO A 42 3.778 -9.558 -9.641 1.00 0.00 O ATOM 589 CB PRO A 42 2.379 -7.931 -11.503 1.00 0.00 C ATOM 590 CG PRO A 42 3.141 -8.244 -12.779 1.00 0.00 C ATOM 591 CD PRO A 42 4.125 -7.080 -12.872 1.00 0.00 C ATOM 0 HA PRO A 42 3.039 -6.704 -9.834 1.00 0.00 H new ATOM 0 HB2 PRO A 42 1.926 -8.824 -11.071 1.00 0.00 H new ATOM 0 HB3 PRO A 42 1.574 -7.217 -11.676 1.00 0.00 H new ATOM 0 HG2 PRO A 42 3.653 -9.204 -12.720 1.00 0.00 H new ATOM 0 HG3 PRO A 42 2.481 -8.287 -13.645 1.00 0.00 H new ATOM 0 HD2 PRO A 42 5.055 -7.395 -13.346 1.00 0.00 H new ATOM 0 HD3 PRO A 42 3.715 -6.273 -13.480 1.00 0.00 H new ATOM 599 N ASP A 43 5.393 -8.068 -9.263 1.00 0.00 N ATOM 600 CA ASP A 43 6.132 -8.876 -8.292 1.00 0.00 C ATOM 601 C ASP A 43 6.750 -8.008 -7.195 1.00 0.00 C ATOM 602 O ASP A 43 7.057 -8.511 -6.119 1.00 0.00 O ATOM 603 CB ASP A 43 7.138 -9.824 -8.978 1.00 0.00 C ATOM 604 CG ASP A 43 8.620 -9.436 -8.875 1.00 0.00 C ATOM 605 OD1 ASP A 43 9.275 -9.782 -7.863 1.00 0.00 O ATOM 606 OD2 ASP A 43 9.188 -8.969 -9.890 1.00 0.00 O ATOM 0 H ASP A 43 5.863 -7.194 -9.500 1.00 0.00 H new ATOM 0 HA ASP A 43 5.420 -9.529 -7.787 1.00 0.00 H new ATOM 0 HB2 ASP A 43 7.015 -10.820 -8.552 1.00 0.00 H new ATOM 0 HB3 ASP A 43 6.876 -9.895 -10.034 1.00 0.00 H new ATOM 611 N GLU A 44 6.847 -6.696 -7.407 1.00 0.00 N ATOM 612 CA GLU A 44 7.313 -5.777 -6.383 1.00 0.00 C ATOM 613 C GLU A 44 6.121 -5.422 -5.503 1.00 0.00 C ATOM 614 O GLU A 44 5.064 -5.041 -6.010 1.00 0.00 O ATOM 615 CB GLU A 44 7.907 -4.524 -7.037 1.00 0.00 C ATOM 616 CG GLU A 44 9.170 -4.871 -7.835 1.00 0.00 C ATOM 617 CD GLU A 44 9.574 -3.724 -8.745 1.00 0.00 C ATOM 618 OE1 GLU A 44 9.053 -3.681 -9.881 1.00 0.00 O ATOM 619 OE2 GLU A 44 10.382 -2.868 -8.307 1.00 0.00 O ATOM 0 H GLU A 44 6.605 -6.247 -8.290 1.00 0.00 H new ATOM 0 HA GLU A 44 8.096 -6.234 -5.777 1.00 0.00 H new ATOM 0 HB2 GLU A 44 7.169 -4.068 -7.697 1.00 0.00 H new ATOM 0 HB3 GLU A 44 8.147 -3.787 -6.270 1.00 0.00 H new ATOM 0 HG2 GLU A 44 9.986 -5.100 -7.149 1.00 0.00 H new ATOM 0 HG3 GLU A 44 8.993 -5.767 -8.430 1.00 0.00 H new ATOM 626 N PHE A 45 6.292 -5.528 -4.183 1.00 0.00 N ATOM 627 CA PHE A 45 5.225 -5.248 -3.236 1.00 0.00 C ATOM 628 C PHE A 45 4.737 -3.819 -3.371 1.00 0.00 C ATOM 629 O PHE A 45 5.506 -2.880 -3.621 1.00 0.00 O ATOM 630 CB PHE A 45 5.648 -5.503 -1.781 1.00 0.00 C ATOM 631 CG PHE A 45 6.321 -6.837 -1.598 1.00 0.00 C ATOM 632 CD1 PHE A 45 5.540 -8.000 -1.648 1.00 0.00 C ATOM 633 CD2 PHE A 45 7.721 -6.928 -1.503 1.00 0.00 C ATOM 634 CE1 PHE A 45 6.165 -9.254 -1.644 1.00 0.00 C ATOM 635 CE2 PHE A 45 8.331 -8.190 -1.439 1.00 0.00 C ATOM 636 CZ PHE A 45 7.559 -9.358 -1.523 1.00 0.00 C ATOM 0 H PHE A 45 7.171 -5.809 -3.749 1.00 0.00 H new ATOM 0 HA PHE A 45 4.415 -5.936 -3.479 1.00 0.00 H new ATOM 0 HB2 PHE A 45 6.325 -4.712 -1.460 1.00 0.00 H new ATOM 0 HB3 PHE A 45 4.770 -5.452 -1.137 1.00 0.00 H new ATOM 0 HD1 PHE A 45 4.463 -7.930 -1.689 1.00 0.00 H new ATOM 0 HD2 PHE A 45 8.323 -6.032 -1.479 1.00 0.00 H new ATOM 0 HE1 PHE A 45 5.568 -10.149 -1.735 1.00 0.00 H new ATOM 0 HE2 PHE A 45 9.402 -8.262 -1.324 1.00 0.00 H new ATOM 0 HZ PHE A 45 8.033 -10.328 -1.495 1.00 0.00 H new ATOM 646 N LEU A 46 3.445 -3.679 -3.115 1.00 0.00 N ATOM 647 CA LEU A 46 2.744 -2.425 -3.035 1.00 0.00 C ATOM 648 C LEU A 46 2.784 -1.994 -1.575 1.00 0.00 C ATOM 649 O LEU A 46 2.467 -2.791 -0.691 1.00 0.00 O ATOM 650 CB LEU A 46 1.303 -2.634 -3.512 1.00 0.00 C ATOM 651 CG LEU A 46 1.188 -2.872 -5.029 1.00 0.00 C ATOM 652 CD1 LEU A 46 0.050 -3.851 -5.297 1.00 0.00 C ATOM 653 CD2 LEU A 46 0.868 -1.578 -5.779 1.00 0.00 C ATOM 0 H LEU A 46 2.836 -4.481 -2.951 1.00 0.00 H new ATOM 0 HA LEU A 46 3.196 -1.657 -3.662 1.00 0.00 H new ATOM 0 HB2 LEU A 46 0.874 -3.486 -2.985 1.00 0.00 H new ATOM 0 HB3 LEU A 46 0.709 -1.761 -3.243 1.00 0.00 H new ATOM 0 HG LEU A 46 2.145 -3.262 -5.376 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -0.036 -4.024 -6.370 1.00 0.00 H new ATOM 0 HD12 LEU A 46 0.256 -4.795 -4.793 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.884 -3.435 -4.920 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.794 -1.785 -6.847 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -0.080 -1.175 -5.421 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.661 -0.851 -5.604 1.00 0.00 H new ATOM 665 N GLN A 47 3.129 -0.741 -1.295 1.00 0.00 N ATOM 666 CA GLN A 47 3.141 -0.185 0.049 1.00 0.00 C ATOM 667 C GLN A 47 2.368 1.127 0.050 1.00 0.00 C ATOM 668 O GLN A 47 2.293 1.822 -0.964 1.00 0.00 O ATOM 669 CB GLN A 47 4.577 0.029 0.552 1.00 0.00 C ATOM 670 CG GLN A 47 5.443 -1.237 0.475 1.00 0.00 C ATOM 671 CD GLN A 47 6.802 -1.071 1.154 1.00 0.00 C ATOM 672 OE1 GLN A 47 7.837 -1.019 0.500 1.00 0.00 O ATOM 673 NE2 GLN A 47 6.843 -0.961 2.472 1.00 0.00 N ATOM 0 H GLN A 47 3.413 -0.073 -2.011 1.00 0.00 H new ATOM 0 HA GLN A 47 2.663 -0.891 0.729 1.00 0.00 H new ATOM 0 HB2 GLN A 47 5.046 0.818 -0.035 1.00 0.00 H new ATOM 0 HB3 GLN A 47 4.545 0.376 1.585 1.00 0.00 H new ATOM 0 HG2 GLN A 47 4.909 -2.065 0.941 1.00 0.00 H new ATOM 0 HG3 GLN A 47 5.595 -1.504 -0.571 1.00 0.00 H new ATOM 0 HE21 GLN A 47 5.980 -1.005 3.014 1.00 0.00 H new ATOM 0 HE22 GLN A 47 7.737 -0.833 2.945 1.00 0.00 H new ATOM 682 N VAL A 48 1.797 1.500 1.192 1.00 0.00 N ATOM 683 CA VAL A 48 1.243 2.822 1.391 1.00 0.00 C ATOM 684 C VAL A 48 2.404 3.808 1.265 1.00 0.00 C ATOM 685 O VAL A 48 3.340 3.782 2.071 1.00 0.00 O ATOM 686 CB VAL A 48 0.549 2.863 2.762 1.00 0.00 C ATOM 687 CG1 VAL A 48 0.170 4.288 3.181 1.00 0.00 C ATOM 688 CG2 VAL A 48 -0.728 2.012 2.710 1.00 0.00 C ATOM 0 H VAL A 48 1.709 0.888 2.003 1.00 0.00 H new ATOM 0 HA VAL A 48 0.485 3.087 0.654 1.00 0.00 H new ATOM 0 HB VAL A 48 1.254 2.471 3.495 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -0.317 4.263 4.156 1.00 0.00 H new ATOM 0 HG12 VAL A 48 1.069 4.901 3.240 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -0.512 4.714 2.445 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -1.223 2.039 3.681 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -1.400 2.410 1.949 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -0.469 0.982 2.463 1.00 0.00 H new ATOM 698 N LYS A 49 2.369 4.637 0.223 1.00 0.00 N ATOM 699 CA LYS A 49 3.383 5.622 -0.113 1.00 0.00 C ATOM 700 C LYS A 49 3.500 6.638 1.009 1.00 0.00 C ATOM 701 O LYS A 49 4.594 6.842 1.529 1.00 0.00 O ATOM 702 CB LYS A 49 3.024 6.315 -1.433 1.00 0.00 C ATOM 703 CG LYS A 49 4.300 6.794 -2.106 1.00 0.00 C ATOM 704 CD LYS A 49 4.045 7.653 -3.336 1.00 0.00 C ATOM 705 CE LYS A 49 5.426 7.919 -3.936 1.00 0.00 C ATOM 706 NZ LYS A 49 5.382 8.793 -5.119 1.00 0.00 N ATOM 0 H LYS A 49 1.593 4.636 -0.439 1.00 0.00 H new ATOM 0 HA LYS A 49 4.344 5.123 -0.236 1.00 0.00 H new ATOM 0 HB2 LYS A 49 2.490 5.625 -2.087 1.00 0.00 H new ATOM 0 HB3 LYS A 49 2.358 7.158 -1.246 1.00 0.00 H new ATOM 0 HG2 LYS A 49 4.889 7.365 -1.388 1.00 0.00 H new ATOM 0 HG3 LYS A 49 4.898 5.929 -2.393 1.00 0.00 H new ATOM 0 HD2 LYS A 49 3.399 7.139 -4.048 1.00 0.00 H new ATOM 0 HD3 LYS A 49 3.546 8.585 -3.069 1.00 0.00 H new ATOM 0 HE2 LYS A 49 6.063 8.375 -3.178 1.00 0.00 H new ATOM 0 HE3 LYS A 49 5.886 6.969 -4.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 6.346 8.937 -5.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 4.798 8.350 -5.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 4.970 9.711 -4.857 1.00 0.00 H new ATOM 720 N SER A 50 2.380 7.262 1.369 1.00 0.00 N ATOM 721 CA SER A 50 2.210 8.085 2.545 1.00 0.00 C ATOM 722 C SER A 50 0.738 8.086 2.909 1.00 0.00 C ATOM 723 O SER A 50 -0.112 8.038 2.015 1.00 0.00 O ATOM 724 CB SER A 50 2.609 9.531 2.273 1.00 0.00 C ATOM 725 OG SER A 50 3.818 9.676 1.550 1.00 0.00 O ATOM 0 H SER A 50 1.527 7.198 0.813 1.00 0.00 H new ATOM 0 HA SER A 50 2.836 7.683 3.341 1.00 0.00 H new ATOM 0 HB2 SER A 50 1.807 10.019 1.719 1.00 0.00 H new ATOM 0 HB3 SER A 50 2.703 10.055 3.224 1.00 0.00 H new ATOM 0 HG SER A 50 4.006 10.628 1.414 1.00 0.00 H new ATOM 731 N VAL A 51 0.443 8.250 4.190 1.00 0.00 N ATOM 732 CA VAL A 51 -0.873 8.622 4.680 1.00 0.00 C ATOM 733 C VAL A 51 -0.900 10.153 4.718 1.00 0.00 C ATOM 734 O VAL A 51 0.002 10.769 5.289 1.00 0.00 O ATOM 735 CB VAL A 51 -1.098 7.969 6.056 1.00 0.00 C ATOM 736 CG1 VAL A 51 -2.520 8.242 6.553 1.00 0.00 C ATOM 737 CG2 VAL A 51 -0.920 6.446 5.984 1.00 0.00 C ATOM 0 H VAL A 51 1.129 8.125 4.934 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.686 8.272 4.043 1.00 0.00 H new ATOM 0 HB VAL A 51 -0.362 8.399 6.736 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -2.661 7.773 7.527 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -2.674 9.317 6.642 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -3.238 7.830 5.844 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -1.085 6.013 6.971 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -1.640 6.028 5.280 1.00 0.00 H new ATOM 0 HG23 VAL A 51 0.091 6.213 5.650 1.00 0.00 H new ATOM 747 N ILE A 52 -1.856 10.790 4.050 1.00 0.00 N ATOM 748 CA ILE A 52 -2.092 12.221 4.094 1.00 0.00 C ATOM 749 C ILE A 52 -2.748 12.535 5.451 1.00 0.00 C ATOM 750 O ILE A 52 -3.752 11.902 5.785 1.00 0.00 O ATOM 751 CB ILE A 52 -2.985 12.606 2.894 1.00 0.00 C ATOM 752 CG1 ILE A 52 -2.196 12.635 1.568 1.00 0.00 C ATOM 753 CG2 ILE A 52 -3.629 13.990 3.082 1.00 0.00 C ATOM 754 CD1 ILE A 52 -1.542 11.336 1.087 1.00 0.00 C ATOM 0 H ILE A 52 -2.511 10.300 3.440 1.00 0.00 H new ATOM 0 HA ILE A 52 -1.174 12.803 4.013 1.00 0.00 H new ATOM 0 HB ILE A 52 -3.756 11.837 2.848 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -2.873 12.977 0.785 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -1.413 13.387 1.663 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -4.249 14.223 2.216 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -4.247 13.985 3.980 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.848 14.744 3.183 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -1.026 11.516 0.144 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -0.826 10.991 1.833 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -2.309 10.575 0.941 1.00 0.00 H new ATOM 766 N PRO A 53 -2.220 13.492 6.235 1.00 0.00 N ATOM 767 CA PRO A 53 -2.888 13.951 7.444 1.00 0.00 C ATOM 768 C PRO A 53 -4.186 14.675 7.080 1.00 0.00 C ATOM 769 O PRO A 53 -4.314 15.200 5.974 1.00 0.00 O ATOM 770 CB PRO A 53 -1.902 14.898 8.124 1.00 0.00 C ATOM 771 CG PRO A 53 -1.044 15.434 6.982 1.00 0.00 C ATOM 772 CD PRO A 53 -1.053 14.313 5.947 1.00 0.00 C ATOM 0 HA PRO A 53 -3.160 13.127 8.104 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -2.419 15.704 8.645 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -1.297 14.376 8.865 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -1.457 16.356 6.573 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -0.031 15.659 7.317 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -1.104 14.719 4.937 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -0.139 13.722 6.007 1.00 0.00 H new ATOM 780 N ASP A 54 -5.136 14.730 8.016 1.00 0.00 N ATOM 781 CA ASP A 54 -6.478 15.323 7.891 1.00 0.00 C ATOM 782 C ASP A 54 -7.455 14.448 7.099 1.00 0.00 C ATOM 783 O ASP A 54 -8.665 14.513 7.338 1.00 0.00 O ATOM 784 CB ASP A 54 -6.447 16.731 7.273 1.00 0.00 C ATOM 785 CG ASP A 54 -7.789 17.424 7.456 1.00 0.00 C ATOM 786 OD1 ASP A 54 -8.128 17.791 8.604 1.00 0.00 O ATOM 787 OD2 ASP A 54 -8.532 17.572 6.456 1.00 0.00 O ATOM 0 H ASP A 54 -4.982 14.337 8.944 1.00 0.00 H new ATOM 0 HA ASP A 54 -6.839 15.395 8.917 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -5.659 17.322 7.740 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -6.208 16.663 6.212 1.00 0.00 H new ATOM 792 N GLY A 55 -6.941 13.625 6.180 1.00 0.00 N ATOM 793 CA GLY A 55 -7.720 12.739 5.329 1.00 0.00 C ATOM 794 C GLY A 55 -8.340 11.578 6.113 1.00 0.00 C ATOM 795 O GLY A 55 -7.906 11.271 7.226 1.00 0.00 O ATOM 0 H GLY A 55 -5.938 13.560 6.007 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -8.511 13.309 4.842 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -7.081 12.342 4.540 1.00 0.00 H new ATOM 799 N PRO A 56 -9.298 10.840 5.526 1.00 0.00 N ATOM 800 CA PRO A 56 -10.065 9.833 6.258 1.00 0.00 C ATOM 801 C PRO A 56 -9.214 8.636 6.697 1.00 0.00 C ATOM 802 O PRO A 56 -9.585 7.923 7.622 1.00 0.00 O ATOM 803 CB PRO A 56 -11.206 9.420 5.319 1.00 0.00 C ATOM 804 CG PRO A 56 -10.654 9.742 3.931 1.00 0.00 C ATOM 805 CD PRO A 56 -9.818 10.994 4.177 1.00 0.00 C ATOM 0 HA PRO A 56 -10.446 10.242 7.194 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -11.447 8.362 5.420 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -12.120 9.977 5.527 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -10.050 8.924 3.537 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -11.452 9.924 3.211 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -9.010 11.078 3.450 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -10.423 11.896 4.088 1.00 0.00 H new ATOM 813 N ALA A 57 -8.058 8.417 6.062 1.00 0.00 N ATOM 814 CA ALA A 57 -7.120 7.387 6.481 1.00 0.00 C ATOM 815 C ALA A 57 -6.527 7.758 7.839 1.00 0.00 C ATOM 816 O ALA A 57 -6.573 6.946 8.762 1.00 0.00 O ATOM 817 CB ALA A 57 -6.032 7.221 5.419 1.00 0.00 C ATOM 0 H ALA A 57 -7.753 8.950 5.247 1.00 0.00 H new ATOM 0 HA ALA A 57 -7.635 6.432 6.587 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -5.330 6.449 5.735 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -6.489 6.931 4.473 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -5.501 8.164 5.292 1.00 0.00 H new ATOM 823 N ALA A 58 -6.011 8.987 7.954 1.00 0.00 N ATOM 824 CA ALA A 58 -5.492 9.543 9.191 1.00 0.00 C ATOM 825 C ALA A 58 -6.575 9.550 10.268 1.00 0.00 C ATOM 826 O ALA A 58 -6.296 9.156 11.394 1.00 0.00 O ATOM 827 CB ALA A 58 -4.959 10.960 8.937 1.00 0.00 C ATOM 0 H ALA A 58 -5.945 9.631 7.166 1.00 0.00 H new ATOM 0 HA ALA A 58 -4.671 8.921 9.547 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -4.570 11.375 9.867 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -4.161 10.921 8.196 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -5.767 11.592 8.568 1.00 0.00 H new ATOM 833 N GLN A 59 -7.799 9.963 9.924 1.00 0.00 N ATOM 834 CA GLN A 59 -8.893 10.010 10.883 1.00 0.00 C ATOM 835 C GLN A 59 -9.343 8.624 11.353 1.00 0.00 C ATOM 836 O GLN A 59 -10.017 8.539 12.380 1.00 0.00 O ATOM 837 CB GLN A 59 -10.097 10.754 10.301 1.00 0.00 C ATOM 838 CG GLN A 59 -9.852 12.241 10.015 1.00 0.00 C ATOM 839 CD GLN A 59 -11.186 12.977 9.965 1.00 0.00 C ATOM 840 OE1 GLN A 59 -11.755 13.305 11.001 1.00 0.00 O ATOM 841 NE2 GLN A 59 -11.773 13.181 8.795 1.00 0.00 N ATOM 0 H GLN A 59 -8.051 10.269 8.984 1.00 0.00 H new ATOM 0 HA GLN A 59 -8.504 10.544 11.750 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -10.397 10.264 9.375 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -10.933 10.664 10.995 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -9.216 12.671 10.789 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -9.325 12.358 9.068 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -11.301 12.909 7.933 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -12.697 13.611 8.756 1.00 0.00 H new ATOM 850 N ASP A 60 -9.069 7.543 10.618 1.00 0.00 N ATOM 851 CA ASP A 60 -9.380 6.193 11.088 1.00 0.00 C ATOM 852 C ASP A 60 -8.217 5.650 11.928 1.00 0.00 C ATOM 853 O ASP A 60 -8.432 4.957 12.921 1.00 0.00 O ATOM 854 CB ASP A 60 -9.760 5.268 9.923 1.00 0.00 C ATOM 855 CG ASP A 60 -10.566 4.084 10.457 1.00 0.00 C ATOM 856 OD1 ASP A 60 -9.996 3.228 11.158 1.00 0.00 O ATOM 857 OD2 ASP A 60 -11.805 4.048 10.285 1.00 0.00 O ATOM 0 H ASP A 60 -8.633 7.577 9.697 1.00 0.00 H new ATOM 0 HA ASP A 60 -10.257 6.234 11.734 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -10.345 5.817 9.184 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -8.862 4.913 9.418 1.00 0.00 H new ATOM 862 N GLY A 61 -6.981 6.007 11.566 1.00 0.00 N ATOM 863 CA GLY A 61 -5.777 5.814 12.367 1.00 0.00 C ATOM 864 C GLY A 61 -5.165 4.416 12.260 1.00 0.00 C ATOM 865 O GLY A 61 -4.044 4.205 12.725 1.00 0.00 O ATOM 0 H GLY A 61 -6.788 6.456 10.671 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -5.031 6.548 12.063 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -6.014 6.015 13.412 1.00 0.00 H new ATOM 869 N LYS A 62 -5.862 3.448 11.651 1.00 0.00 N ATOM 870 CA LYS A 62 -5.380 2.070 11.555 1.00 0.00 C ATOM 871 C LYS A 62 -4.312 1.862 10.475 1.00 0.00 C ATOM 872 O LYS A 62 -3.762 0.757 10.407 1.00 0.00 O ATOM 873 CB LYS A 62 -6.555 1.126 11.284 1.00 0.00 C ATOM 874 CG LYS A 62 -7.647 1.137 12.358 1.00 0.00 C ATOM 875 CD LYS A 62 -8.669 0.058 12.011 1.00 0.00 C ATOM 876 CE LYS A 62 -9.879 0.125 12.945 1.00 0.00 C ATOM 877 NZ LYS A 62 -10.927 1.009 12.401 1.00 0.00 N ATOM 0 H LYS A 62 -6.771 3.600 11.214 1.00 0.00 H new ATOM 0 HA LYS A 62 -4.910 1.847 12.513 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -7.003 1.392 10.327 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -6.172 0.110 11.185 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -7.215 0.949 13.341 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -8.127 2.115 12.402 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -8.996 0.181 10.978 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -8.204 -0.925 12.084 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -10.284 -0.876 13.091 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -9.566 0.488 13.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -11.689 1.115 13.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -10.519 1.942 12.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -11.313 0.594 11.529 1.00 0.00 H new ATOM 891 N MET A 63 -4.037 2.848 9.623 1.00 0.00 N ATOM 892 CA MET A 63 -3.102 2.773 8.510 1.00 0.00 C ATOM 893 C MET A 63 -1.992 3.787 8.728 1.00 0.00 C ATOM 894 O MET A 63 -2.263 4.923 9.119 1.00 0.00 O ATOM 895 CB MET A 63 -3.849 3.094 7.213 1.00 0.00 C ATOM 896 CG MET A 63 -2.995 2.834 5.967 1.00 0.00 C ATOM 897 SD MET A 63 -3.708 3.380 4.387 1.00 0.00 S ATOM 898 CE MET A 63 -5.479 3.112 4.661 1.00 0.00 C ATOM 0 H MET A 63 -4.483 3.762 9.696 1.00 0.00 H new ATOM 0 HA MET A 63 -2.672 1.774 8.444 1.00 0.00 H new ATOM 0 HB2 MET A 63 -4.756 2.492 7.161 1.00 0.00 H new ATOM 0 HB3 MET A 63 -4.160 4.139 7.225 1.00 0.00 H new ATOM 0 HG2 MET A 63 -2.033 3.329 6.100 1.00 0.00 H new ATOM 0 HG3 MET A 63 -2.796 1.764 5.903 1.00 0.00 H new ATOM 0 HE1 MET A 63 -5.975 2.952 3.704 1.00 0.00 H new ATOM 0 HE2 MET A 63 -5.621 2.236 5.294 1.00 0.00 H new ATOM 0 HE3 MET A 63 -5.908 3.986 5.150 1.00 0.00 H new ATOM 908 N GLU A 64 -0.761 3.395 8.409 1.00 0.00 N ATOM 909 CA GLU A 64 0.422 4.227 8.497 1.00 0.00 C ATOM 910 C GLU A 64 1.238 4.076 7.210 1.00 0.00 C ATOM 911 O GLU A 64 0.923 3.296 6.307 1.00 0.00 O ATOM 912 CB GLU A 64 1.209 3.866 9.766 1.00 0.00 C ATOM 913 CG GLU A 64 0.579 4.547 10.993 1.00 0.00 C ATOM 914 CD GLU A 64 1.138 4.032 12.316 1.00 0.00 C ATOM 915 OE1 GLU A 64 2.377 3.904 12.442 1.00 0.00 O ATOM 916 OE2 GLU A 64 0.316 3.724 13.214 1.00 0.00 O ATOM 0 H GLU A 64 -0.560 2.454 8.071 1.00 0.00 H new ATOM 0 HA GLU A 64 0.157 5.281 8.584 1.00 0.00 H new ATOM 0 HB2 GLU A 64 1.215 2.785 9.904 1.00 0.00 H new ATOM 0 HB3 GLU A 64 2.248 4.179 9.660 1.00 0.00 H new ATOM 0 HG2 GLU A 64 0.745 5.622 10.929 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -0.499 4.389 10.975 1.00 0.00 H new ATOM 923 N THR A 65 2.265 4.905 7.084 1.00 0.00 N ATOM 924 CA THR A 65 3.107 4.968 5.909 1.00 0.00 C ATOM 925 C THR A 65 4.087 3.792 5.961 1.00 0.00 C ATOM 926 O THR A 65 4.789 3.615 6.952 1.00 0.00 O ATOM 927 CB THR A 65 3.794 6.335 5.923 1.00 0.00 C ATOM 928 OG1 THR A 65 2.834 7.383 5.966 1.00 0.00 O ATOM 929 CG2 THR A 65 4.698 6.575 4.724 1.00 0.00 C ATOM 0 H THR A 65 2.537 5.564 7.814 1.00 0.00 H new ATOM 0 HA THR A 65 2.553 4.878 4.975 1.00 0.00 H new ATOM 0 HB THR A 65 4.413 6.333 6.820 1.00 0.00 H new ATOM 0 HG1 THR A 65 3.294 8.248 5.976 1.00 0.00 H new ATOM 0 HG21 THR A 65 5.151 7.564 4.802 1.00 0.00 H new ATOM 0 HG22 THR A 65 5.482 5.818 4.702 1.00 0.00 H new ATOM 0 HG23 THR A 65 4.110 6.516 3.808 1.00 0.00 H new ATOM 937 N GLY A 66 4.148 3.002 4.887 1.00 0.00 N ATOM 938 CA GLY A 66 5.031 1.845 4.759 1.00 0.00 C ATOM 939 C GLY A 66 4.306 0.508 4.859 1.00 0.00 C ATOM 940 O GLY A 66 4.863 -0.501 4.427 1.00 0.00 O ATOM 0 H GLY A 66 3.569 3.155 4.062 1.00 0.00 H new ATOM 0 HA2 GLY A 66 5.548 1.897 3.801 1.00 0.00 H new ATOM 0 HA3 GLY A 66 5.794 1.894 5.536 1.00 0.00 H new ATOM 944 N ASP A 67 3.068 0.492 5.358 1.00 0.00 N ATOM 945 CA ASP A 67 2.245 -0.715 5.422 1.00 0.00 C ATOM 946 C ASP A 67 2.086 -1.313 4.006 1.00 0.00 C ATOM 947 O ASP A 67 1.971 -0.569 3.032 1.00 0.00 O ATOM 948 CB ASP A 67 0.859 -0.361 5.965 1.00 0.00 C ATOM 949 CG ASP A 67 0.667 -0.261 7.476 1.00 0.00 C ATOM 950 OD1 ASP A 67 0.574 -1.318 8.137 1.00 0.00 O ATOM 951 OD2 ASP A 67 0.321 0.816 7.999 1.00 0.00 O ATOM 0 H ASP A 67 2.607 1.322 5.731 1.00 0.00 H new ATOM 0 HA ASP A 67 2.728 -1.440 6.077 1.00 0.00 H new ATOM 0 HB2 ASP A 67 0.569 0.596 5.531 1.00 0.00 H new ATOM 0 HB3 ASP A 67 0.157 -1.107 5.591 1.00 0.00 H new ATOM 956 N VAL A 68 2.058 -2.640 3.870 1.00 0.00 N ATOM 957 CA VAL A 68 2.115 -3.388 2.602 1.00 0.00 C ATOM 958 C VAL A 68 0.697 -3.764 2.168 1.00 0.00 C ATOM 959 O VAL A 68 0.011 -4.441 2.926 1.00 0.00 O ATOM 960 CB VAL A 68 2.992 -4.653 2.787 1.00 0.00 C ATOM 961 CG1 VAL A 68 2.951 -5.620 1.587 1.00 0.00 C ATOM 962 CG2 VAL A 68 4.455 -4.282 3.075 1.00 0.00 C ATOM 0 H VAL A 68 1.992 -3.258 4.679 1.00 0.00 H new ATOM 0 HA VAL A 68 2.562 -2.769 1.824 1.00 0.00 H new ATOM 0 HB VAL A 68 2.559 -5.171 3.642 1.00 0.00 H new ATOM 0 HG11 VAL A 68 3.589 -6.480 1.791 1.00 0.00 H new ATOM 0 HG12 VAL A 68 1.927 -5.957 1.426 1.00 0.00 H new ATOM 0 HG13 VAL A 68 3.308 -5.107 0.694 1.00 0.00 H new ATOM 0 HG21 VAL A 68 5.043 -5.191 3.200 1.00 0.00 H new ATOM 0 HG22 VAL A 68 4.854 -3.703 2.242 1.00 0.00 H new ATOM 0 HG23 VAL A 68 4.507 -3.688 3.988 1.00 0.00 H new ATOM 972 N ILE A 69 0.247 -3.342 0.983 1.00 0.00 N ATOM 973 CA ILE A 69 -1.028 -3.697 0.363 1.00 0.00 C ATOM 974 C ILE A 69 -1.020 -5.190 0.029 1.00 0.00 C ATOM 975 O ILE A 69 -0.300 -5.636 -0.871 1.00 0.00 O ATOM 976 CB ILE A 69 -1.315 -2.781 -0.852 1.00 0.00 C ATOM 977 CG1 ILE A 69 -1.591 -1.316 -0.441 1.00 0.00 C ATOM 978 CG2 ILE A 69 -2.505 -3.251 -1.705 1.00 0.00 C ATOM 979 CD1 ILE A 69 -0.344 -0.477 -0.210 1.00 0.00 C ATOM 0 H ILE A 69 0.794 -2.709 0.400 1.00 0.00 H new ATOM 0 HA ILE A 69 -1.854 -3.528 1.054 1.00 0.00 H new ATOM 0 HB ILE A 69 -0.401 -2.841 -1.443 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -2.193 -0.842 -1.216 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -2.188 -1.315 0.471 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -2.649 -2.563 -2.538 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -2.304 -4.251 -2.090 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -3.406 -3.272 -1.092 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -0.634 0.535 0.074 1.00 0.00 H new ATOM 0 HD12 ILE A 69 0.251 -0.922 0.588 1.00 0.00 H new ATOM 0 HD13 ILE A 69 0.246 -0.442 -1.126 1.00 0.00 H new ATOM 991 N VAL A 70 -1.842 -5.951 0.757 1.00 0.00 N ATOM 992 CA VAL A 70 -2.071 -7.363 0.490 1.00 0.00 C ATOM 993 C VAL A 70 -3.294 -7.510 -0.429 1.00 0.00 C ATOM 994 O VAL A 70 -3.194 -8.021 -1.551 1.00 0.00 O ATOM 995 CB VAL A 70 -2.236 -8.158 1.804 1.00 0.00 C ATOM 996 CG1 VAL A 70 -2.011 -9.639 1.528 1.00 0.00 C ATOM 997 CG2 VAL A 70 -1.298 -7.716 2.937 1.00 0.00 C ATOM 0 H VAL A 70 -2.369 -5.595 1.554 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.203 -7.782 -0.018 1.00 0.00 H new ATOM 0 HB VAL A 70 -3.251 -7.959 2.149 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -2.127 -10.203 2.453 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -2.740 -9.988 0.797 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -1.005 -9.787 1.136 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -1.482 -8.327 3.821 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -0.262 -7.838 2.620 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -1.483 -6.669 3.175 1.00 0.00 H new ATOM 1007 N TYR A 71 -4.456 -7.069 0.064 1.00 0.00 N ATOM 1008 CA TYR A 71 -5.759 -7.345 -0.521 1.00 0.00 C ATOM 1009 C TYR A 71 -6.592 -6.070 -0.523 1.00 0.00 C ATOM 1010 O TYR A 71 -6.566 -5.341 0.474 1.00 0.00 O ATOM 1011 CB TYR A 71 -6.505 -8.393 0.321 1.00 0.00 C ATOM 1012 CG TYR A 71 -5.873 -9.766 0.473 1.00 0.00 C ATOM 1013 CD1 TYR A 71 -6.016 -10.705 -0.556 1.00 0.00 C ATOM 1014 CD2 TYR A 71 -5.262 -10.166 1.676 1.00 0.00 C ATOM 1015 CE1 TYR A 71 -5.565 -12.021 -0.404 1.00 0.00 C ATOM 1016 CE2 TYR A 71 -4.844 -11.492 1.870 1.00 0.00 C ATOM 1017 CZ TYR A 71 -5.019 -12.436 0.831 1.00 0.00 C ATOM 1018 OH TYR A 71 -4.696 -13.745 1.016 1.00 0.00 O ATOM 0 H TYR A 71 -4.510 -6.494 0.905 1.00 0.00 H new ATOM 0 HA TYR A 71 -5.613 -7.714 -1.536 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -6.649 -7.979 1.319 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -7.495 -8.527 -0.114 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -6.483 -10.408 -1.484 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -5.112 -9.441 2.463 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -5.634 -12.716 -1.227 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -4.392 -11.789 2.805 1.00 0.00 H new ATOM 0 HH TYR A 71 -4.331 -13.868 1.917 1.00 0.00 H new ATOM 1028 N ILE A 72 -7.366 -5.827 -1.578 1.00 0.00 N ATOM 1029 CA ILE A 72 -8.270 -4.690 -1.708 1.00 0.00 C ATOM 1030 C ILE A 72 -9.675 -5.255 -1.859 1.00 0.00 C ATOM 1031 O ILE A 72 -9.957 -6.055 -2.747 1.00 0.00 O ATOM 1032 CB ILE A 72 -7.862 -3.771 -2.883 1.00 0.00 C ATOM 1033 CG1 ILE A 72 -6.426 -3.241 -2.643 1.00 0.00 C ATOM 1034 CG2 ILE A 72 -8.842 -2.604 -3.106 1.00 0.00 C ATOM 1035 CD1 ILE A 72 -5.926 -2.197 -3.645 1.00 0.00 C ATOM 0 H ILE A 72 -7.380 -6.439 -2.394 1.00 0.00 H new ATOM 0 HA ILE A 72 -8.225 -4.052 -0.825 1.00 0.00 H new ATOM 0 HB ILE A 72 -7.894 -4.369 -3.794 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -6.381 -2.809 -1.643 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -5.739 -4.088 -2.656 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -8.500 -1.997 -3.944 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -9.834 -2.999 -3.325 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -8.887 -1.989 -2.207 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -4.912 -1.897 -3.382 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -5.929 -2.624 -4.648 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -6.580 -1.326 -3.620 1.00 0.00 H new ATOM 1047 N ASN A 73 -10.562 -4.793 -0.987 1.00 0.00 N ATOM 1048 CA ASN A 73 -11.959 -5.161 -0.836 1.00 0.00 C ATOM 1049 C ASN A 73 -12.134 -6.646 -0.535 1.00 0.00 C ATOM 1050 O ASN A 73 -12.310 -6.989 0.631 1.00 0.00 O ATOM 1051 CB ASN A 73 -12.818 -4.606 -1.991 1.00 0.00 C ATOM 1052 CG ASN A 73 -14.106 -3.951 -1.510 1.00 0.00 C ATOM 1053 OD1 ASN A 73 -14.290 -3.669 -0.332 1.00 0.00 O ATOM 1054 ND2 ASN A 73 -14.995 -3.594 -2.416 1.00 0.00 N ATOM 0 H ASN A 73 -10.293 -4.084 -0.304 1.00 0.00 H new ATOM 0 HA ASN A 73 -12.353 -4.671 0.054 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -12.234 -3.878 -2.554 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -13.063 -5.417 -2.677 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -15.833 -3.085 -2.135 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -14.845 -3.827 -3.398 1.00 0.00 H new ATOM 1061 N GLU A 74 -12.032 -7.527 -1.530 1.00 0.00 N ATOM 1062 CA GLU A 74 -12.028 -8.978 -1.332 1.00 0.00 C ATOM 1063 C GLU A 74 -11.005 -9.664 -2.255 1.00 0.00 C ATOM 1064 O GLU A 74 -11.015 -10.885 -2.399 1.00 0.00 O ATOM 1065 CB GLU A 74 -13.450 -9.549 -1.521 1.00 0.00 C ATOM 1066 CG GLU A 74 -13.642 -10.793 -0.638 1.00 0.00 C ATOM 1067 CD GLU A 74 -14.876 -11.616 -0.991 1.00 0.00 C ATOM 1068 OE1 GLU A 74 -14.821 -12.442 -1.932 1.00 0.00 O ATOM 1069 OE2 GLU A 74 -15.906 -11.489 -0.290 1.00 0.00 O ATOM 0 H GLU A 74 -11.949 -7.251 -2.508 1.00 0.00 H new ATOM 0 HA GLU A 74 -11.719 -9.187 -0.308 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -14.191 -8.793 -1.263 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -13.610 -9.808 -2.568 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -12.759 -11.426 -0.722 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -13.712 -10.480 0.404 1.00 0.00 H new ATOM 1076 N VAL A 75 -10.115 -8.918 -2.904 1.00 0.00 N ATOM 1077 CA VAL A 75 -9.287 -9.404 -4.002 1.00 0.00 C ATOM 1078 C VAL A 75 -7.818 -9.381 -3.568 1.00 0.00 C ATOM 1079 O VAL A 75 -7.462 -8.592 -2.695 1.00 0.00 O ATOM 1080 CB VAL A 75 -9.614 -8.529 -5.231 1.00 0.00 C ATOM 1081 CG1 VAL A 75 -8.717 -8.830 -6.437 1.00 0.00 C ATOM 1082 CG2 VAL A 75 -11.082 -8.732 -5.652 1.00 0.00 C ATOM 0 H VAL A 75 -9.946 -7.938 -2.676 1.00 0.00 H new ATOM 0 HA VAL A 75 -9.490 -10.440 -4.274 1.00 0.00 H new ATOM 0 HB VAL A 75 -9.434 -7.498 -4.927 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -8.996 -8.183 -7.269 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -7.676 -8.649 -6.170 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -8.840 -9.872 -6.731 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -11.301 -8.110 -6.520 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -11.246 -9.779 -5.906 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -11.739 -8.451 -4.829 1.00 0.00 H new ATOM 1092 N CYS A 76 -6.951 -10.233 -4.136 1.00 0.00 N ATOM 1093 CA CYS A 76 -5.500 -10.121 -3.964 1.00 0.00 C ATOM 1094 C CYS A 76 -4.929 -9.175 -5.024 1.00 0.00 C ATOM 1095 O CYS A 76 -5.302 -9.257 -6.192 1.00 0.00 O ATOM 1096 CB CYS A 76 -4.810 -11.494 -4.020 1.00 0.00 C ATOM 1097 SG CYS A 76 -5.249 -12.472 -5.474 1.00 0.00 S ATOM 0 H CYS A 76 -7.238 -11.015 -4.725 1.00 0.00 H new ATOM 0 HA CYS A 76 -5.303 -9.710 -2.974 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -3.730 -11.348 -4.004 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -5.069 -12.057 -3.123 1.00 0.00 H new ATOM 0 HG CYS A 76 -4.620 -13.609 -5.438 1.00 0.00 H new ATOM 1103 N VAL A 77 -3.989 -8.311 -4.653 1.00 0.00 N ATOM 1104 CA VAL A 77 -3.223 -7.470 -5.590 1.00 0.00 C ATOM 1105 C VAL A 77 -1.716 -7.483 -5.274 1.00 0.00 C ATOM 1106 O VAL A 77 -0.959 -6.715 -5.849 1.00 0.00 O ATOM 1107 CB VAL A 77 -3.749 -6.014 -5.593 1.00 0.00 C ATOM 1108 CG1 VAL A 77 -4.997 -5.814 -6.472 1.00 0.00 C ATOM 1109 CG2 VAL A 77 -3.943 -5.474 -4.169 1.00 0.00 C ATOM 0 H VAL A 77 -3.728 -8.167 -3.678 1.00 0.00 H new ATOM 0 HA VAL A 77 -3.364 -7.898 -6.583 1.00 0.00 H new ATOM 0 HB VAL A 77 -2.969 -5.414 -6.061 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -5.311 -4.771 -6.427 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -4.762 -6.078 -7.503 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.803 -6.451 -6.109 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -4.313 -4.450 -4.216 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -4.664 -6.097 -3.639 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.990 -5.492 -3.640 1.00 0.00 H new ATOM 1119 N LEU A 78 -1.255 -8.284 -4.318 1.00 0.00 N ATOM 1120 CA LEU A 78 0.065 -8.133 -3.714 1.00 0.00 C ATOM 1121 C LEU A 78 1.277 -8.377 -4.598 1.00 0.00 C ATOM 1122 O LEU A 78 2.353 -7.893 -4.250 1.00 0.00 O ATOM 1123 CB LEU A 78 0.210 -8.925 -2.431 1.00 0.00 C ATOM 1124 CG LEU A 78 0.139 -10.456 -2.541 1.00 0.00 C ATOM 1125 CD1 LEU A 78 0.527 -11.097 -1.207 1.00 0.00 C ATOM 1126 CD2 LEU A 78 -1.284 -10.858 -2.914 1.00 0.00 C ATOM 0 H LEU A 78 -1.792 -9.063 -3.937 1.00 0.00 H new ATOM 0 HA LEU A 78 0.080 -7.062 -3.512 1.00 0.00 H new ATOM 0 HB2 LEU A 78 1.166 -8.663 -1.978 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -0.569 -8.599 -1.742 1.00 0.00 H new ATOM 0 HG LEU A 78 0.833 -10.800 -3.307 1.00 0.00 H new ATOM 0 HD11 LEU A 78 0.473 -12.182 -1.296 1.00 0.00 H new ATOM 0 HD12 LEU A 78 1.544 -10.804 -0.945 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -0.159 -10.762 -0.429 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -1.346 -11.943 -2.995 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -1.974 -10.511 -2.144 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -1.551 -10.407 -3.870 1.00 0.00 H new ATOM 1138 N GLY A 79 1.128 -9.122 -5.684 1.00 0.00 N ATOM 1139 CA GLY A 79 2.012 -9.063 -6.829 1.00 0.00 C ATOM 1140 C GLY A 79 1.104 -8.785 -8.005 1.00 0.00 C ATOM 1141 O GLY A 79 0.836 -9.675 -8.814 1.00 0.00 O ATOM 0 H GLY A 79 0.371 -9.798 -5.791 1.00 0.00 H new ATOM 0 HA2 GLY A 79 2.759 -8.278 -6.712 1.00 0.00 H new ATOM 0 HA3 GLY A 79 2.553 -10.000 -6.960 1.00 0.00 H new ATOM 1145 N HIS A 80 0.520 -7.591 -8.004 1.00 0.00 N ATOM 1146 CA HIS A 80 -0.173 -7.005 -9.150 1.00 0.00 C ATOM 1147 C HIS A 80 0.472 -5.666 -9.511 1.00 0.00 C ATOM 1148 O HIS A 80 1.306 -5.151 -8.763 1.00 0.00 O ATOM 1149 CB HIS A 80 -1.668 -6.857 -8.844 1.00 0.00 C ATOM 1150 CG HIS A 80 -2.583 -7.055 -10.020 1.00 0.00 C ATOM 1151 ND1 HIS A 80 -3.710 -6.319 -10.299 1.00 0.00 N ATOM 1152 CD2 HIS A 80 -2.562 -8.124 -10.874 1.00 0.00 C ATOM 1153 CE1 HIS A 80 -4.359 -6.943 -11.294 1.00 0.00 C ATOM 1154 NE2 HIS A 80 -3.680 -8.027 -11.706 1.00 0.00 N ATOM 0 H HIS A 80 0.515 -6.986 -7.183 1.00 0.00 H new ATOM 0 HA HIS A 80 -0.081 -7.664 -10.013 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -1.937 -7.575 -8.069 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -1.842 -5.863 -8.432 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -1.815 -8.903 -10.900 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -5.302 -6.617 -11.709 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -3.930 -8.653 -12.472 1.00 0.00 H new ATOM 1162 N THR A 81 0.115 -5.104 -10.664 1.00 0.00 N ATOM 1163 CA THR A 81 0.710 -3.876 -11.143 1.00 0.00 C ATOM 1164 C THR A 81 0.140 -2.726 -10.316 1.00 0.00 C ATOM 1165 O THR A 81 -1.077 -2.629 -10.113 1.00 0.00 O ATOM 1166 CB THR A 81 0.406 -3.708 -12.647 1.00 0.00 C ATOM 1167 OG1 THR A 81 -0.895 -4.187 -12.954 1.00 0.00 O ATOM 1168 CG2 THR A 81 1.406 -4.481 -13.505 1.00 0.00 C ATOM 0 H THR A 81 -0.594 -5.493 -11.285 1.00 0.00 H new ATOM 0 HA THR A 81 1.794 -3.890 -11.031 1.00 0.00 H new ATOM 0 HB THR A 81 0.478 -2.643 -12.867 1.00 0.00 H new ATOM 0 HG1 THR A 81 -1.069 -4.070 -13.911 1.00 0.00 H new ATOM 0 HG21 THR A 81 1.165 -4.342 -14.559 1.00 0.00 H new ATOM 0 HG22 THR A 81 2.413 -4.112 -13.312 1.00 0.00 H new ATOM 0 HG23 THR A 81 1.355 -5.541 -13.257 1.00 0.00 H new ATOM 1176 N HIS A 82 1.005 -1.805 -9.906 1.00 0.00 N ATOM 1177 CA HIS A 82 0.610 -0.491 -9.437 1.00 0.00 C ATOM 1178 C HIS A 82 -0.260 0.212 -10.478 1.00 0.00 C ATOM 1179 O HIS A 82 -1.167 0.948 -10.095 1.00 0.00 O ATOM 1180 CB HIS A 82 1.887 0.281 -9.094 1.00 0.00 C ATOM 1181 CG HIS A 82 1.654 1.547 -8.323 1.00 0.00 C ATOM 1182 ND1 HIS A 82 2.247 2.756 -8.589 1.00 0.00 N ATOM 1183 CD2 HIS A 82 0.865 1.700 -7.217 1.00 0.00 C ATOM 1184 CE1 HIS A 82 1.779 3.642 -7.696 1.00 0.00 C ATOM 1185 NE2 HIS A 82 0.950 3.037 -6.829 1.00 0.00 N ATOM 0 H HIS A 82 2.014 -1.957 -9.892 1.00 0.00 H new ATOM 0 HA HIS A 82 -0.007 -0.558 -8.541 1.00 0.00 H new ATOM 0 HB2 HIS A 82 2.545 -0.367 -8.515 1.00 0.00 H new ATOM 0 HB3 HIS A 82 2.411 0.524 -10.019 1.00 0.00 H new ATOM 0 HD1 HIS A 82 2.921 2.946 -9.331 1.00 0.00 H new ATOM 0 HD2 HIS A 82 0.284 0.929 -6.734 1.00 0.00 H new ATOM 0 HE1 HIS A 82 2.033 4.692 -7.677 1.00 0.00 H new ATOM 1193 N ALA A 83 -0.052 -0.025 -11.776 1.00 0.00 N ATOM 1194 CA ALA A 83 -0.918 0.532 -12.808 1.00 0.00 C ATOM 1195 C ALA A 83 -2.382 0.069 -12.660 1.00 0.00 C ATOM 1196 O ALA A 83 -3.290 0.889 -12.829 1.00 0.00 O ATOM 1197 CB ALA A 83 -0.339 0.195 -14.185 1.00 0.00 C ATOM 0 H ALA A 83 0.711 -0.600 -12.133 1.00 0.00 H new ATOM 0 HA ALA A 83 -0.946 1.616 -12.693 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -0.982 0.609 -14.961 1.00 0.00 H new ATOM 0 HB2 ALA A 83 0.659 0.623 -14.275 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -0.281 -0.887 -14.300 1.00 0.00 H new ATOM 1203 N ASP A 84 -2.635 -1.203 -12.319 1.00 0.00 N ATOM 1204 CA ASP A 84 -3.993 -1.712 -12.081 1.00 0.00 C ATOM 1205 C ASP A 84 -4.484 -1.264 -10.706 1.00 0.00 C ATOM 1206 O ASP A 84 -5.588 -0.754 -10.580 1.00 0.00 O ATOM 1207 CB ASP A 84 -4.051 -3.244 -12.212 1.00 0.00 C ATOM 1208 CG ASP A 84 -5.463 -3.780 -12.503 1.00 0.00 C ATOM 1209 OD1 ASP A 84 -6.474 -3.217 -12.047 1.00 0.00 O ATOM 1210 OD2 ASP A 84 -5.567 -4.823 -13.189 1.00 0.00 O ATOM 0 H ASP A 84 -1.906 -1.906 -12.201 1.00 0.00 H new ATOM 0 HA ASP A 84 -4.652 -1.297 -12.843 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -3.379 -3.558 -13.011 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -3.683 -3.694 -11.290 1.00 0.00 H new ATOM 1215 N VAL A 85 -3.666 -1.361 -9.656 1.00 0.00 N ATOM 1216 CA VAL A 85 -4.081 -0.993 -8.301 1.00 0.00 C ATOM 1217 C VAL A 85 -4.497 0.476 -8.230 1.00 0.00 C ATOM 1218 O VAL A 85 -5.536 0.801 -7.654 1.00 0.00 O ATOM 1219 CB VAL A 85 -2.993 -1.399 -7.284 1.00 0.00 C ATOM 1220 CG1 VAL A 85 -3.104 -0.678 -5.931 1.00 0.00 C ATOM 1221 CG2 VAL A 85 -3.166 -2.895 -7.038 1.00 0.00 C ATOM 0 H VAL A 85 -2.704 -1.694 -9.720 1.00 0.00 H new ATOM 0 HA VAL A 85 -4.976 -1.551 -8.026 1.00 0.00 H new ATOM 0 HB VAL A 85 -2.023 -1.128 -7.701 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -2.305 -1.017 -5.271 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -3.017 0.398 -6.084 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -4.069 -0.903 -5.477 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -2.417 -3.235 -6.322 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -4.162 -3.085 -6.639 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -3.042 -3.435 -7.977 1.00 0.00 H new ATOM 1231 N VAL A 86 -3.759 1.381 -8.859 1.00 0.00 N ATOM 1232 CA VAL A 86 -4.145 2.783 -8.910 1.00 0.00 C ATOM 1233 C VAL A 86 -5.436 2.964 -9.723 1.00 0.00 C ATOM 1234 O VAL A 86 -6.260 3.820 -9.388 1.00 0.00 O ATOM 1235 CB VAL A 86 -2.951 3.590 -9.436 1.00 0.00 C ATOM 1236 CG1 VAL A 86 -3.351 5.045 -9.668 1.00 0.00 C ATOM 1237 CG2 VAL A 86 -1.809 3.515 -8.406 1.00 0.00 C ATOM 0 H VAL A 86 -2.887 1.167 -9.342 1.00 0.00 H new ATOM 0 HA VAL A 86 -4.386 3.162 -7.917 1.00 0.00 H new ATOM 0 HB VAL A 86 -2.621 3.172 -10.387 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -2.492 5.603 -10.041 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -4.158 5.088 -10.400 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -3.689 5.484 -8.729 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -0.954 4.085 -8.769 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -2.147 3.932 -7.457 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -1.517 2.475 -8.262 1.00 0.00 H new ATOM 1247 N LYS A 87 -5.666 2.138 -10.746 1.00 0.00 N ATOM 1248 CA LYS A 87 -6.951 2.078 -11.437 1.00 0.00 C ATOM 1249 C LYS A 87 -8.037 1.686 -10.443 1.00 0.00 C ATOM 1250 O LYS A 87 -9.092 2.309 -10.395 1.00 0.00 O ATOM 1251 CB LYS A 87 -6.824 1.127 -12.650 1.00 0.00 C ATOM 1252 CG LYS A 87 -7.768 -0.089 -12.747 1.00 0.00 C ATOM 1253 CD LYS A 87 -9.158 0.279 -13.255 1.00 0.00 C ATOM 1254 CE LYS A 87 -9.048 0.522 -14.761 1.00 0.00 C ATOM 1255 NZ LYS A 87 -10.313 1.025 -15.319 1.00 0.00 N ATOM 0 H LYS A 87 -4.967 1.494 -11.116 1.00 0.00 H new ATOM 0 HA LYS A 87 -7.242 3.050 -11.836 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -6.961 1.723 -13.552 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -5.801 0.752 -12.669 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -7.328 -0.832 -13.412 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -7.857 -0.553 -11.765 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -9.867 -0.522 -13.047 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -9.527 1.171 -12.749 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -8.251 1.239 -14.958 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -8.772 -0.406 -15.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -10.204 1.179 -16.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -11.067 0.329 -15.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -10.563 1.923 -14.858 1.00 0.00 H new ATOM 1269 N LEU A 88 -7.762 0.692 -9.609 1.00 0.00 N ATOM 1270 CA LEU A 88 -8.756 0.008 -8.802 1.00 0.00 C ATOM 1271 C LEU A 88 -9.312 0.961 -7.758 1.00 0.00 C ATOM 1272 O LEU A 88 -10.512 0.942 -7.495 1.00 0.00 O ATOM 1273 CB LEU A 88 -8.145 -1.259 -8.176 1.00 0.00 C ATOM 1274 CG LEU A 88 -8.166 -2.462 -9.138 1.00 0.00 C ATOM 1275 CD1 LEU A 88 -7.154 -3.528 -8.702 1.00 0.00 C ATOM 1276 CD2 LEU A 88 -9.577 -3.055 -9.211 1.00 0.00 C ATOM 0 H LEU A 88 -6.817 0.332 -9.474 1.00 0.00 H new ATOM 0 HA LEU A 88 -9.589 -0.313 -9.428 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -7.117 -1.054 -7.879 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -8.694 -1.513 -7.269 1.00 0.00 H new ATOM 0 HG LEU A 88 -7.881 -2.114 -10.131 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -7.188 -4.367 -9.397 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -6.152 -3.099 -8.699 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -7.402 -3.877 -7.700 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -9.580 -3.905 -9.894 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -9.884 -3.386 -8.219 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -10.272 -2.297 -9.572 1.00 0.00 H new ATOM 1288 N PHE A 89 -8.480 1.844 -7.210 1.00 0.00 N ATOM 1289 CA PHE A 89 -8.923 2.859 -6.263 1.00 0.00 C ATOM 1290 C PHE A 89 -9.790 3.943 -6.927 1.00 0.00 C ATOM 1291 O PHE A 89 -10.591 4.605 -6.257 1.00 0.00 O ATOM 1292 CB PHE A 89 -7.697 3.480 -5.594 1.00 0.00 C ATOM 1293 CG PHE A 89 -6.999 2.591 -4.579 1.00 0.00 C ATOM 1294 CD1 PHE A 89 -7.641 2.284 -3.363 1.00 0.00 C ATOM 1295 CD2 PHE A 89 -5.693 2.114 -4.809 1.00 0.00 C ATOM 1296 CE1 PHE A 89 -6.944 1.622 -2.341 1.00 0.00 C ATOM 1297 CE2 PHE A 89 -5.006 1.433 -3.792 1.00 0.00 C ATOM 1298 CZ PHE A 89 -5.607 1.241 -2.540 1.00 0.00 C ATOM 0 H PHE A 89 -7.481 1.874 -7.411 1.00 0.00 H new ATOM 0 HA PHE A 89 -9.553 2.378 -5.515 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -6.980 3.755 -6.368 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -8.000 4.402 -5.099 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -8.675 2.560 -3.217 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -5.221 2.272 -5.767 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -7.435 1.406 -1.403 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -4.011 1.056 -3.975 1.00 0.00 H new ATOM 0 HZ PHE A 89 -5.043 0.801 -1.731 1.00 0.00 H new ATOM 1308 N GLN A 90 -9.671 4.135 -8.241 1.00 0.00 N ATOM 1309 CA GLN A 90 -10.496 5.051 -9.015 1.00 0.00 C ATOM 1310 C GLN A 90 -11.780 4.360 -9.498 1.00 0.00 C ATOM 1311 O GLN A 90 -12.772 5.041 -9.762 1.00 0.00 O ATOM 1312 CB GLN A 90 -9.667 5.620 -10.172 1.00 0.00 C ATOM 1313 CG GLN A 90 -8.477 6.457 -9.669 1.00 0.00 C ATOM 1314 CD GLN A 90 -7.609 6.897 -10.839 1.00 0.00 C ATOM 1315 OE1 GLN A 90 -7.763 7.994 -11.381 1.00 0.00 O ATOM 1316 NE2 GLN A 90 -6.697 6.038 -11.246 1.00 0.00 N ATOM 0 H GLN A 90 -8.979 3.643 -8.807 1.00 0.00 H new ATOM 0 HA GLN A 90 -10.815 5.881 -8.385 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -9.299 4.802 -10.792 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -10.304 6.238 -10.805 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -8.841 7.331 -9.128 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -7.883 5.872 -8.967 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -6.597 5.139 -10.775 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -6.091 6.272 -12.033 1.00 0.00 H new ATOM 1325 N SER A 91 -11.827 3.023 -9.511 1.00 0.00 N ATOM 1326 CA SER A 91 -13.059 2.267 -9.723 1.00 0.00 C ATOM 1327 C SER A 91 -14.080 2.468 -8.589 1.00 0.00 C ATOM 1328 O SER A 91 -15.261 2.173 -8.787 1.00 0.00 O ATOM 1329 CB SER A 91 -12.746 0.774 -9.866 1.00 0.00 C ATOM 1330 OG SER A 91 -11.655 0.505 -10.735 1.00 0.00 O ATOM 0 H SER A 91 -11.005 2.435 -9.374 1.00 0.00 H new ATOM 0 HA SER A 91 -13.506 2.647 -10.641 1.00 0.00 H new ATOM 0 HB2 SER A 91 -12.527 0.361 -8.881 1.00 0.00 H new ATOM 0 HB3 SER A 91 -13.632 0.259 -10.238 1.00 0.00 H new ATOM 0 HG SER A 91 -11.505 -0.462 -10.782 1.00 0.00 H new ATOM 1336 N VAL A 92 -13.646 2.970 -7.426 1.00 0.00 N ATOM 1337 CA VAL A 92 -14.487 3.218 -6.257 1.00 0.00 C ATOM 1338 C VAL A 92 -15.137 4.597 -6.432 1.00 0.00 C ATOM 1339 O VAL A 92 -14.404 5.578 -6.583 1.00 0.00 O ATOM 1340 CB VAL A 92 -13.639 3.155 -4.959 1.00 0.00 C ATOM 1341 CG1 VAL A 92 -14.510 3.194 -3.697 1.00 0.00 C ATOM 1342 CG2 VAL A 92 -12.782 1.888 -4.902 1.00 0.00 C ATOM 0 H VAL A 92 -12.669 3.221 -7.272 1.00 0.00 H new ATOM 0 HA VAL A 92 -15.261 2.455 -6.171 1.00 0.00 H new ATOM 0 HB VAL A 92 -12.998 4.036 -4.986 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -13.873 3.148 -2.814 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -15.086 4.119 -3.681 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -15.191 2.343 -3.698 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -12.203 1.881 -3.978 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -13.428 1.010 -4.932 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -12.104 1.869 -5.755 1.00 0.00 H new ATOM 1352 N PRO A 93 -16.473 4.734 -6.438 1.00 0.00 N ATOM 1353 CA PRO A 93 -17.118 6.041 -6.337 1.00 0.00 C ATOM 1354 C PRO A 93 -16.800 6.746 -5.014 1.00 0.00 C ATOM 1355 O PRO A 93 -16.474 6.112 -4.009 1.00 0.00 O ATOM 1356 CB PRO A 93 -18.623 5.783 -6.430 1.00 0.00 C ATOM 1357 CG PRO A 93 -18.743 4.373 -6.998 1.00 0.00 C ATOM 1358 CD PRO A 93 -17.456 3.675 -6.564 1.00 0.00 C ATOM 0 HA PRO A 93 -16.756 6.694 -7.131 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -19.098 5.857 -5.452 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -19.110 6.513 -7.077 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -19.623 3.862 -6.608 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -18.839 4.389 -8.084 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -17.592 3.150 -5.619 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -17.143 2.933 -7.299 1.00 0.00 H new ATOM 1366 N ILE A 94 -16.972 8.067 -4.971 1.00 0.00 N ATOM 1367 CA ILE A 94 -17.071 8.788 -3.708 1.00 0.00 C ATOM 1368 C ILE A 94 -18.287 8.279 -2.928 1.00 0.00 C ATOM 1369 O ILE A 94 -19.265 7.788 -3.492 1.00 0.00 O ATOM 1370 CB ILE A 94 -17.036 10.310 -3.997 1.00 0.00 C ATOM 1371 CG1 ILE A 94 -15.544 10.698 -4.031 1.00 0.00 C ATOM 1372 CG2 ILE A 94 -17.811 11.180 -2.997 1.00 0.00 C ATOM 1373 CD1 ILE A 94 -15.266 12.080 -4.619 1.00 0.00 C ATOM 0 H ILE A 94 -17.045 8.658 -5.799 1.00 0.00 H new ATOM 0 HA ILE A 94 -16.221 8.600 -3.051 1.00 0.00 H new ATOM 0 HB ILE A 94 -17.546 10.500 -4.942 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -15.148 10.662 -3.016 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -15.000 9.953 -4.612 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -17.726 12.228 -3.285 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -18.861 10.887 -2.997 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -17.397 11.043 -1.998 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -14.193 12.272 -4.605 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -15.628 12.118 -5.646 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -15.778 12.838 -4.026 1.00 0.00 H new ATOM 1385 N GLY A 95 -18.205 8.378 -1.605 1.00 0.00 N ATOM 1386 CA GLY A 95 -19.190 7.894 -0.658 1.00 0.00 C ATOM 1387 C GLY A 95 -19.102 6.392 -0.417 1.00 0.00 C ATOM 1388 O GLY A 95 -19.738 5.919 0.521 1.00 0.00 O ATOM 0 H GLY A 95 -17.408 8.821 -1.147 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -19.060 8.416 0.290 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -20.187 8.139 -1.023 1.00 0.00 H new ATOM 1392 N GLN A 96 -18.315 5.633 -1.186 1.00 0.00 N ATOM 1393 CA GLN A 96 -18.328 4.177 -1.060 1.00 0.00 C ATOM 1394 C GLN A 96 -17.201 3.751 -0.133 1.00 0.00 C ATOM 1395 O GLN A 96 -16.272 4.530 0.102 1.00 0.00 O ATOM 1396 CB GLN A 96 -18.204 3.533 -2.447 1.00 0.00 C ATOM 1397 CG GLN A 96 -19.444 3.803 -3.313 1.00 0.00 C ATOM 1398 CD GLN A 96 -20.695 3.052 -2.865 1.00 0.00 C ATOM 1399 OE1 GLN A 96 -20.701 2.300 -1.895 1.00 0.00 O ATOM 1400 NE2 GLN A 96 -21.780 3.198 -3.605 1.00 0.00 N ATOM 0 H GLN A 96 -17.672 5.997 -1.890 1.00 0.00 H new ATOM 0 HA GLN A 96 -19.271 3.841 -0.628 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -17.318 3.920 -2.950 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -18.064 2.458 -2.337 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -19.653 4.873 -3.305 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -19.220 3.530 -4.344 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -21.768 3.825 -4.410 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -22.630 2.684 -3.371 1.00 0.00 H new ATOM 1409 N SER A 97 -17.231 2.524 0.382 1.00 0.00 N ATOM 1410 CA SER A 97 -16.198 1.980 1.235 1.00 0.00 C ATOM 1411 C SER A 97 -15.526 0.795 0.556 1.00 0.00 C ATOM 1412 O SER A 97 -16.189 0.024 -0.141 1.00 0.00 O ATOM 1413 CB SER A 97 -16.819 1.583 2.564 1.00 0.00 C ATOM 1414 OG SER A 97 -17.969 0.780 2.376 1.00 0.00 O ATOM 0 H SER A 97 -17.996 1.872 0.209 1.00 0.00 H new ATOM 0 HA SER A 97 -15.428 2.730 1.417 1.00 0.00 H new ATOM 0 HB2 SER A 97 -16.087 1.039 3.162 1.00 0.00 H new ATOM 0 HB3 SER A 97 -17.086 2.479 3.125 1.00 0.00 H new ATOM 0 HG SER A 97 -18.346 0.539 3.248 1.00 0.00 H new ATOM 1420 N VAL A 98 -14.233 0.621 0.809 1.00 0.00 N ATOM 1421 CA VAL A 98 -13.505 -0.591 0.427 1.00 0.00 C ATOM 1422 C VAL A 98 -12.616 -1.043 1.572 1.00 0.00 C ATOM 1423 O VAL A 98 -12.066 -0.197 2.281 1.00 0.00 O ATOM 1424 CB VAL A 98 -12.685 -0.405 -0.867 1.00 0.00 C ATOM 1425 CG1 VAL A 98 -13.615 -0.118 -2.044 1.00 0.00 C ATOM 1426 CG2 VAL A 98 -11.636 0.708 -0.773 1.00 0.00 C ATOM 0 H VAL A 98 -13.657 1.315 1.285 1.00 0.00 H new ATOM 0 HA VAL A 98 -14.243 -1.365 0.217 1.00 0.00 H new ATOM 0 HB VAL A 98 -12.148 -1.341 -1.019 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -13.025 0.011 -2.951 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -14.304 -0.952 -2.175 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -14.181 0.792 -1.847 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -11.098 0.782 -1.718 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -12.130 1.656 -0.561 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -10.933 0.479 0.028 1.00 0.00 H new ATOM 1436 N ASN A 99 -12.457 -2.353 1.739 1.00 0.00 N ATOM 1437 CA ASN A 99 -11.596 -2.935 2.764 1.00 0.00 C ATOM 1438 C ASN A 99 -10.177 -2.943 2.210 1.00 0.00 C ATOM 1439 O ASN A 99 -9.975 -2.927 0.993 1.00 0.00 O ATOM 1440 CB ASN A 99 -12.002 -4.382 3.097 1.00 0.00 C ATOM 1441 CG ASN A 99 -13.403 -4.548 3.682 1.00 0.00 C ATOM 1442 OD1 ASN A 99 -14.390 -4.043 3.154 1.00 0.00 O ATOM 1443 ND2 ASN A 99 -13.535 -5.281 4.769 1.00 0.00 N ATOM 0 H ASN A 99 -12.928 -3.048 1.160 1.00 0.00 H new ATOM 0 HA ASN A 99 -11.680 -2.347 3.678 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -11.932 -4.980 2.188 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -11.280 -4.791 3.804 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -14.459 -5.430 5.174 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -12.713 -5.699 5.205 1.00 0.00 H new ATOM 1450 N LEU A 100 -9.182 -2.983 3.089 1.00 0.00 N ATOM 1451 CA LEU A 100 -7.766 -3.009 2.753 1.00 0.00 C ATOM 1452 C LEU A 100 -7.113 -3.868 3.828 1.00 0.00 C ATOM 1453 O LEU A 100 -7.168 -3.489 4.996 1.00 0.00 O ATOM 1454 CB LEU A 100 -7.176 -1.580 2.767 1.00 0.00 C ATOM 1455 CG LEU A 100 -7.839 -0.557 1.820 1.00 0.00 C ATOM 1456 CD1 LEU A 100 -7.403 0.860 2.205 1.00 0.00 C ATOM 1457 CD2 LEU A 100 -7.529 -0.776 0.338 1.00 0.00 C ATOM 0 H LEU A 100 -9.348 -2.999 4.095 1.00 0.00 H new ATOM 0 HA LEU A 100 -7.594 -3.409 1.754 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -7.238 -1.194 3.785 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -6.118 -1.644 2.514 1.00 0.00 H new ATOM 0 HG LEU A 100 -8.913 -0.697 1.942 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -7.873 1.580 1.535 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -7.706 1.068 3.231 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -6.319 0.942 2.124 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -8.034 -0.014 -0.256 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -6.453 -0.707 0.177 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -7.879 -1.763 0.035 1.00 0.00 H new ATOM 1469 N VAL A 101 -6.564 -5.035 3.492 1.00 0.00 N ATOM 1470 CA VAL A 101 -5.713 -5.804 4.409 1.00 0.00 C ATOM 1471 C VAL A 101 -4.305 -5.298 4.148 1.00 0.00 C ATOM 1472 O VAL A 101 -3.900 -5.297 2.975 1.00 0.00 O ATOM 1473 CB VAL A 101 -5.765 -7.317 4.109 1.00 0.00 C ATOM 1474 CG1 VAL A 101 -5.001 -8.169 5.135 1.00 0.00 C ATOM 1475 CG2 VAL A 101 -7.214 -7.835 4.048 1.00 0.00 C ATOM 0 H VAL A 101 -6.694 -5.475 2.581 1.00 0.00 H new ATOM 0 HA VAL A 101 -6.040 -5.675 5.441 1.00 0.00 H new ATOM 0 HB VAL A 101 -5.281 -7.423 3.138 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -5.079 -9.222 4.864 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -3.952 -7.873 5.144 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -5.430 -8.017 6.126 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -7.210 -8.904 3.835 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -7.704 -7.658 5.005 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -7.755 -7.310 3.261 1.00 0.00 H new ATOM 1485 N LEU A 102 -3.583 -4.881 5.195 1.00 0.00 N ATOM 1486 CA LEU A 102 -2.180 -4.503 5.077 1.00 0.00 C ATOM 1487 C LEU A 102 -1.314 -5.356 6.006 1.00 0.00 C ATOM 1488 O LEU A 102 -1.835 -6.036 6.892 1.00 0.00 O ATOM 1489 CB LEU A 102 -1.916 -3.002 5.332 1.00 0.00 C ATOM 1490 CG LEU A 102 -2.685 -1.948 4.509 1.00 0.00 C ATOM 1491 CD1 LEU A 102 -2.091 -0.543 4.665 1.00 0.00 C ATOM 1492 CD2 LEU A 102 -2.630 -2.165 3.012 1.00 0.00 C ATOM 0 H LEU A 102 -3.957 -4.798 6.140 1.00 0.00 H new ATOM 0 HA LEU A 102 -1.906 -4.691 4.039 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -2.121 -2.808 6.385 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -0.852 -2.826 5.176 1.00 0.00 H new ATOM 0 HG LEU A 102 -3.699 -2.047 4.898 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -2.666 0.164 4.067 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -2.129 -0.246 5.713 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -1.055 -0.546 4.326 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -3.196 -1.380 2.510 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -1.593 -2.135 2.678 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -3.062 -3.136 2.769 1.00 0.00 H new ATOM 1504 N CYS A 103 0.009 -5.281 5.840 1.00 0.00 N ATOM 1505 CA CYS A 103 0.995 -5.877 6.733 1.00 0.00 C ATOM 1506 C CYS A 103 2.002 -4.809 7.180 1.00 0.00 C ATOM 1507 O CYS A 103 2.402 -3.957 6.386 1.00 0.00 O ATOM 1508 CB CYS A 103 1.657 -7.072 6.030 1.00 0.00 C ATOM 1509 SG CYS A 103 2.881 -7.889 7.094 1.00 0.00 S ATOM 0 H CYS A 103 0.433 -4.787 5.054 1.00 0.00 H new ATOM 0 HA CYS A 103 0.518 -6.257 7.637 1.00 0.00 H new ATOM 0 HB2 CYS A 103 0.892 -7.791 5.738 1.00 0.00 H new ATOM 0 HB3 CYS A 103 2.141 -6.732 5.114 1.00 0.00 H new ATOM 0 HG CYS A 103 2.478 -9.093 7.374 1.00 0.00 H new ATOM 1515 N ARG A 104 2.409 -4.880 8.449 1.00 0.00 N ATOM 1516 CA ARG A 104 3.344 -4.010 9.157 1.00 0.00 C ATOM 1517 C ARG A 104 4.620 -4.777 9.467 1.00 0.00 C ATOM 1518 O ARG A 104 4.581 -5.998 9.607 1.00 0.00 O ATOM 1519 CB ARG A 104 2.711 -3.559 10.488 1.00 0.00 C ATOM 1520 CG ARG A 104 2.880 -2.054 10.733 1.00 0.00 C ATOM 1521 CD ARG A 104 1.810 -1.492 11.670 1.00 0.00 C ATOM 1522 NE ARG A 104 0.723 -0.879 10.904 1.00 0.00 N ATOM 1523 CZ ARG A 104 -0.103 0.055 11.376 1.00 0.00 C ATOM 1524 NH1 ARG A 104 -0.350 0.173 12.674 1.00 0.00 N ATOM 1525 NH2 ARG A 104 -0.695 0.886 10.538 1.00 0.00 N ATOM 0 H ARG A 104 2.059 -5.617 9.061 1.00 0.00 H new ATOM 0 HA ARG A 104 3.571 -3.145 8.533 1.00 0.00 H new ATOM 0 HB2 ARG A 104 1.650 -3.807 10.486 1.00 0.00 H new ATOM 0 HB3 ARG A 104 3.166 -4.112 11.310 1.00 0.00 H new ATOM 0 HG2 ARG A 104 3.866 -1.866 11.158 1.00 0.00 H new ATOM 0 HG3 ARG A 104 2.838 -1.527 9.780 1.00 0.00 H new ATOM 0 HD2 ARG A 104 1.414 -2.290 12.298 1.00 0.00 H new ATOM 0 HD3 ARG A 104 2.255 -0.752 12.336 1.00 0.00 H new ATOM 0 HE ARG A 104 0.588 -1.188 9.941 1.00 0.00 H new ATOM 0 HH11 ARG A 104 0.096 -0.460 13.338 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -0.986 0.897 13.008 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -0.519 0.811 9.536 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -1.328 1.603 10.893 1.00 0.00 H new ATOM 1539 N GLY A 105 5.725 -4.055 9.642 1.00 0.00 N ATOM 1540 CA GLY A 105 7.029 -4.577 10.037 1.00 0.00 C ATOM 1541 C GLY A 105 8.072 -4.305 8.965 1.00 0.00 C ATOM 1542 O GLY A 105 9.249 -4.095 9.280 1.00 0.00 O ATOM 0 H GLY A 105 5.735 -3.044 9.506 1.00 0.00 H new ATOM 0 HA2 GLY A 105 7.339 -4.118 10.976 1.00 0.00 H new ATOM 0 HA3 GLY A 105 6.957 -5.650 10.215 1.00 0.00 H new ATOM 1546 N TYR A 106 7.634 -4.273 7.708 1.00 0.00 N ATOM 1547 CA TYR A 106 8.449 -3.916 6.563 1.00 0.00 C ATOM 1548 C TYR A 106 8.830 -2.433 6.626 1.00 0.00 C ATOM 1549 O TYR A 106 7.985 -1.605 6.985 1.00 0.00 O ATOM 1550 CB TYR A 106 7.668 -4.233 5.282 1.00 0.00 C ATOM 1551 CG TYR A 106 7.544 -5.727 5.069 1.00 0.00 C ATOM 1552 CD1 TYR A 106 8.674 -6.431 4.620 1.00 0.00 C ATOM 1553 CD2 TYR A 106 6.362 -6.427 5.390 1.00 0.00 C ATOM 1554 CE1 TYR A 106 8.642 -7.827 4.497 1.00 0.00 C ATOM 1555 CE2 TYR A 106 6.328 -7.826 5.283 1.00 0.00 C ATOM 1556 CZ TYR A 106 7.465 -8.531 4.831 1.00 0.00 C ATOM 1557 OH TYR A 106 7.435 -9.884 4.701 1.00 0.00 O ATOM 0 H TYR A 106 6.672 -4.503 7.457 1.00 0.00 H new ATOM 0 HA TYR A 106 9.373 -4.494 6.568 1.00 0.00 H new ATOM 0 HB2 TYR A 106 6.675 -3.788 5.340 1.00 0.00 H new ATOM 0 HB3 TYR A 106 8.170 -3.782 4.426 1.00 0.00 H new ATOM 0 HD1 TYR A 106 9.575 -5.892 4.367 1.00 0.00 H new ATOM 0 HD2 TYR A 106 5.485 -5.888 5.717 1.00 0.00 H new ATOM 0 HE1 TYR A 106 9.513 -8.361 4.148 1.00 0.00 H new ATOM 0 HE2 TYR A 106 5.430 -8.365 5.547 1.00 0.00 H new ATOM 0 HH TYR A 106 8.335 -10.246 4.843 1.00 0.00 H new ATOM 1567 N PRO A 107 10.078 -2.069 6.288 1.00 0.00 N ATOM 1568 CA PRO A 107 10.443 -0.684 6.048 1.00 0.00 C ATOM 1569 C PRO A 107 9.841 -0.172 4.735 1.00 0.00 C ATOM 1570 O PRO A 107 9.290 -0.928 3.924 1.00 0.00 O ATOM 1571 CB PRO A 107 11.973 -0.645 6.037 1.00 0.00 C ATOM 1572 CG PRO A 107 12.396 -2.075 5.698 1.00 0.00 C ATOM 1573 CD PRO A 107 11.222 -2.952 6.122 1.00 0.00 C ATOM 0 HA PRO A 107 10.049 -0.026 6.822 1.00 0.00 H new ATOM 0 HB2 PRO A 107 12.346 0.064 5.298 1.00 0.00 H new ATOM 0 HB3 PRO A 107 12.368 -0.334 7.004 1.00 0.00 H new ATOM 0 HG2 PRO A 107 12.603 -2.182 4.633 1.00 0.00 H new ATOM 0 HG3 PRO A 107 13.306 -2.352 6.229 1.00 0.00 H new ATOM 0 HD2 PRO A 107 11.017 -3.714 5.370 1.00 0.00 H new ATOM 0 HD3 PRO A 107 11.446 -3.474 7.052 1.00 0.00 H new ATOM 1581 N LEU A 108 9.977 1.132 4.518 1.00 0.00 N ATOM 1582 CA LEU A 108 9.609 1.844 3.293 1.00 0.00 C ATOM 1583 C LEU A 108 10.513 1.391 2.132 1.00 0.00 C ATOM 1584 O LEU A 108 11.563 0.799 2.380 1.00 0.00 O ATOM 1585 CB LEU A 108 9.738 3.360 3.554 1.00 0.00 C ATOM 1586 CG LEU A 108 8.715 3.862 4.590 1.00 0.00 C ATOM 1587 CD1 LEU A 108 9.169 5.153 5.267 1.00 0.00 C ATOM 1588 CD2 LEU A 108 7.364 4.115 3.933 1.00 0.00 C ATOM 0 H LEU A 108 10.366 1.755 5.226 1.00 0.00 H new ATOM 0 HA LEU A 108 8.580 1.619 3.012 1.00 0.00 H new ATOM 0 HB2 LEU A 108 10.746 3.582 3.904 1.00 0.00 H new ATOM 0 HB3 LEU A 108 9.600 3.901 2.618 1.00 0.00 H new ATOM 0 HG LEU A 108 8.630 3.079 5.344 1.00 0.00 H new ATOM 0 HD11 LEU A 108 8.416 5.469 5.989 1.00 0.00 H new ATOM 0 HD12 LEU A 108 10.115 4.981 5.780 1.00 0.00 H new ATOM 0 HD13 LEU A 108 9.300 5.931 4.515 1.00 0.00 H new ATOM 0 HD21 LEU A 108 6.656 4.469 4.682 1.00 0.00 H new ATOM 0 HD22 LEU A 108 7.474 4.868 3.153 1.00 0.00 H new ATOM 0 HD23 LEU A 108 6.994 3.189 3.493 1.00 0.00 H new ATOM 1600 N PRO A 109 10.134 1.625 0.863 1.00 0.00 N ATOM 1601 CA PRO A 109 10.950 1.198 -0.273 1.00 0.00 C ATOM 1602 C PRO A 109 12.182 2.091 -0.449 1.00 0.00 C ATOM 1603 O PRO A 109 13.280 1.608 -0.722 1.00 0.00 O ATOM 1604 CB PRO A 109 10.025 1.275 -1.489 1.00 0.00 C ATOM 1605 CG PRO A 109 8.933 2.266 -1.099 1.00 0.00 C ATOM 1606 CD PRO A 109 8.859 2.175 0.420 1.00 0.00 C ATOM 0 HA PRO A 109 11.340 0.191 -0.128 1.00 0.00 H new ATOM 0 HB2 PRO A 109 10.565 1.612 -2.374 1.00 0.00 H new ATOM 0 HB3 PRO A 109 9.604 0.298 -1.726 1.00 0.00 H new ATOM 0 HG2 PRO A 109 9.180 3.277 -1.424 1.00 0.00 H new ATOM 0 HG3 PRO A 109 7.979 2.007 -1.559 1.00 0.00 H new ATOM 0 HD2 PRO A 109 8.686 3.157 0.860 1.00 0.00 H new ATOM 0 HD3 PRO A 109 8.032 1.537 0.731 1.00 0.00 H new