USER MOD reduce.3.24.130724 H: found=0, std=0, add=741, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 739 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 78 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 91 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 49 HIS : no HD1:sc= 0 X(o=-0.49,f=-0.5) USER MOD Set 2.2: A 60 ASN : amide:sc= -0.494 X(o=-0.49,f=-0.62) USER MOD Set 3.1: A 43 ASN :FLIP amide:sc= -2.32! C(o=-4.9!,f=-1.3!) USER MOD Set 3.2: A 45 THR OG1 : rot 80:sc= 0.981 USER MOD Set 4.1: A 29 CYS SG : rot -107:sc= 1.49 USER MOD Set 4.2: A 79 CYS SG : rot -167:sc= 1.45 USER MOD Set 5.1: A 24 MET CE :methyl 140:sc=-0.00727 (180deg=0) USER MOD Set 5.2: A 65 ASN : amide:sc= -1.32 K(o=-1.3,f=-2.9) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 19:sc= 0.24! USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 MET CE :methyl -134:sc= -1.24 (180deg=-4.76!) USER MOD Single : A 18 ASN : amide:sc= -1.17 X(o=-1.2,f=-1.1) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -169:sc=-0.00106 (180deg=-0.134) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot -85:sc= 1.22 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0.0862 USER MOD Single : A 51 SER OG : rot -130:sc= 0.0515 USER MOD Single : A 53 HIS : no HD1:sc= -1.14 K(o=-1.1,f=-5.5!) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot -11:sc= 0.0335 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -2.56 X(o=-2.6,f=-2.8!) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.929 USER MOD Single : A 77 TYR OH : rot -38:sc= 1.26 USER MOD Single : A 80 MET CE :methyl 173:sc= -5.93! (180deg=-6.59!) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 ASN : amide:sc= -7.26! C(o=-7.3!,f=-16!) USER MOD Single : A 87 ASN : amide:sc= -0.0471 X(o=-0.047,f=-0.52) USER MOD Single : A 88 SER OG : rot 170:sc= -0.0158 USER MOD Single : A 89 ASN : amide:sc= -0.395 K(o=-0.4,f=-3.4!) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc= -0.684 K(o=-0.68,f=-4.3!) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 15.619 17.984 -3.337 1.00 0.00 N ATOM 2 CA GLY A 1 16.733 18.238 -4.233 1.00 0.00 C ATOM 3 C GLY A 1 17.508 16.978 -4.565 1.00 0.00 C ATOM 4 O GLY A 1 17.823 16.183 -3.679 1.00 0.00 O ATOM 0 H1 GLY A 1 15.121 18.876 -3.140 1.00 0.00 H new ATOM 0 H2 GLY A 1 14.962 17.312 -3.782 1.00 0.00 H new ATOM 0 H3 GLY A 1 15.975 17.583 -2.446 1.00 0.00 H new ATOM 0 HA2 GLY A 1 16.360 18.685 -5.154 1.00 0.00 H new ATOM 0 HA3 GLY A 1 17.405 18.964 -3.776 1.00 0.00 H new ATOM 8 N SER A 2 17.816 16.794 -5.845 1.00 0.00 N ATOM 9 CA SER A 2 18.554 15.619 -6.292 1.00 0.00 C ATOM 10 C SER A 2 19.897 16.019 -6.897 1.00 0.00 C ATOM 11 O SER A 2 19.958 16.839 -7.813 1.00 0.00 O ATOM 12 CB SER A 2 17.733 14.835 -7.318 1.00 0.00 C ATOM 13 OG SER A 2 18.098 13.465 -7.323 1.00 0.00 O ATOM 0 H SER A 2 17.566 17.444 -6.590 1.00 0.00 H new ATOM 0 HA SER A 2 18.740 14.985 -5.425 1.00 0.00 H new ATOM 0 HB2 SER A 2 16.672 14.931 -7.089 1.00 0.00 H new ATOM 0 HB3 SER A 2 17.885 15.259 -8.311 1.00 0.00 H new ATOM 0 HG SER A 2 17.558 12.985 -7.985 1.00 0.00 H new ATOM 19 N SER A 3 20.971 15.434 -6.376 1.00 0.00 N ATOM 20 CA SER A 3 22.313 15.731 -6.861 1.00 0.00 C ATOM 21 C SER A 3 22.473 15.303 -8.317 1.00 0.00 C ATOM 22 O SER A 3 22.875 16.095 -9.168 1.00 0.00 O ATOM 23 CB SER A 3 23.359 15.028 -5.994 1.00 0.00 C ATOM 24 OG SER A 3 24.651 15.132 -6.567 1.00 0.00 O ATOM 0 H SER A 3 20.937 14.752 -5.618 1.00 0.00 H new ATOM 0 HA SER A 3 22.464 16.809 -6.799 1.00 0.00 H new ATOM 0 HB2 SER A 3 23.364 15.468 -4.997 1.00 0.00 H new ATOM 0 HB3 SER A 3 23.093 13.977 -5.878 1.00 0.00 H new ATOM 0 HG SER A 3 25.301 14.676 -5.993 1.00 0.00 H new ATOM 30 N GLY A 4 22.153 14.043 -8.595 1.00 0.00 N ATOM 31 CA GLY A 4 22.267 13.530 -9.948 1.00 0.00 C ATOM 32 C GLY A 4 21.089 12.660 -10.340 1.00 0.00 C ATOM 33 O GLY A 4 19.996 13.164 -10.599 1.00 0.00 O ATOM 0 H GLY A 4 21.817 13.368 -7.908 1.00 0.00 H new ATOM 0 HA2 GLY A 4 22.346 14.365 -10.644 1.00 0.00 H new ATOM 0 HA3 GLY A 4 23.187 12.952 -10.038 1.00 0.00 H new ATOM 37 N SER A 5 21.311 11.351 -10.384 1.00 0.00 N ATOM 38 CA SER A 5 20.261 10.409 -10.753 1.00 0.00 C ATOM 39 C SER A 5 20.488 9.054 -10.088 1.00 0.00 C ATOM 40 O SER A 5 21.582 8.495 -10.153 1.00 0.00 O ATOM 41 CB SER A 5 20.206 10.242 -12.272 1.00 0.00 C ATOM 42 OG SER A 5 21.293 9.461 -12.739 1.00 0.00 O ATOM 0 H SER A 5 22.209 10.918 -10.169 1.00 0.00 H new ATOM 0 HA SER A 5 19.309 10.810 -10.405 1.00 0.00 H new ATOM 0 HB2 SER A 5 19.266 9.769 -12.555 1.00 0.00 H new ATOM 0 HB3 SER A 5 20.226 11.222 -12.750 1.00 0.00 H new ATOM 0 HG SER A 5 21.676 8.954 -11.993 1.00 0.00 H new ATOM 48 N SER A 6 19.445 8.533 -9.450 1.00 0.00 N ATOM 49 CA SER A 6 19.531 7.246 -8.769 1.00 0.00 C ATOM 50 C SER A 6 18.167 6.826 -8.228 1.00 0.00 C ATOM 51 O SER A 6 17.549 7.547 -7.446 1.00 0.00 O ATOM 52 CB SER A 6 20.546 7.315 -7.627 1.00 0.00 C ATOM 53 OG SER A 6 20.638 6.074 -6.950 1.00 0.00 O ATOM 0 H SER A 6 18.531 8.982 -9.390 1.00 0.00 H new ATOM 0 HA SER A 6 19.861 6.501 -9.493 1.00 0.00 H new ATOM 0 HB2 SER A 6 21.524 7.591 -8.022 1.00 0.00 H new ATOM 0 HB3 SER A 6 20.255 8.095 -6.924 1.00 0.00 H new ATOM 0 HG SER A 6 21.295 6.144 -6.226 1.00 0.00 H new ATOM 59 N GLY A 7 17.705 5.654 -8.651 1.00 0.00 N ATOM 60 CA GLY A 7 16.418 5.157 -8.200 1.00 0.00 C ATOM 61 C GLY A 7 16.526 3.812 -7.509 1.00 0.00 C ATOM 62 O GLY A 7 17.314 2.950 -7.900 1.00 0.00 O ATOM 0 H GLY A 7 18.199 5.039 -9.298 1.00 0.00 H new ATOM 0 HA2 GLY A 7 15.973 5.879 -7.516 1.00 0.00 H new ATOM 0 HA3 GLY A 7 15.746 5.071 -9.054 1.00 0.00 H new ATOM 66 N PRO A 8 15.721 3.618 -6.454 1.00 0.00 N ATOM 67 CA PRO A 8 15.712 2.371 -5.683 1.00 0.00 C ATOM 68 C PRO A 8 15.121 1.207 -6.472 1.00 0.00 C ATOM 69 O PRO A 8 14.804 1.342 -7.654 1.00 0.00 O ATOM 70 CB PRO A 8 14.827 2.704 -4.479 1.00 0.00 C ATOM 71 CG PRO A 8 13.940 3.804 -4.953 1.00 0.00 C ATOM 72 CD PRO A 8 14.757 4.602 -5.932 1.00 0.00 C ATOM 0 HA PRO A 8 16.719 2.051 -5.414 1.00 0.00 H new ATOM 0 HB2 PRO A 8 14.247 1.837 -4.162 1.00 0.00 H new ATOM 0 HB3 PRO A 8 15.425 3.018 -3.623 1.00 0.00 H new ATOM 0 HG2 PRO A 8 13.043 3.405 -5.427 1.00 0.00 H new ATOM 0 HG3 PRO A 8 13.611 4.426 -4.121 1.00 0.00 H new ATOM 0 HD2 PRO A 8 14.138 5.019 -6.727 1.00 0.00 H new ATOM 0 HD3 PRO A 8 15.260 5.439 -5.448 1.00 0.00 H new ATOM 80 N PHE A 9 14.975 0.064 -5.810 1.00 0.00 N ATOM 81 CA PHE A 9 14.423 -1.124 -6.450 1.00 0.00 C ATOM 82 C PHE A 9 12.955 -0.915 -6.811 1.00 0.00 C ATOM 83 O PHE A 9 12.466 -1.457 -7.803 1.00 0.00 O ATOM 84 CB PHE A 9 14.566 -2.338 -5.530 1.00 0.00 C ATOM 85 CG PHE A 9 15.895 -3.028 -5.649 1.00 0.00 C ATOM 86 CD1 PHE A 9 17.018 -2.509 -5.026 1.00 0.00 C ATOM 87 CD2 PHE A 9 16.020 -4.196 -6.383 1.00 0.00 C ATOM 88 CE1 PHE A 9 18.242 -3.141 -5.135 1.00 0.00 C ATOM 89 CE2 PHE A 9 17.242 -4.833 -6.495 1.00 0.00 C ATOM 90 CZ PHE A 9 18.354 -4.306 -5.869 1.00 0.00 C ATOM 0 H PHE A 9 15.231 -0.065 -4.831 1.00 0.00 H new ATOM 0 HA PHE A 9 14.982 -1.305 -7.368 1.00 0.00 H new ATOM 0 HB2 PHE A 9 14.422 -2.020 -4.497 1.00 0.00 H new ATOM 0 HB3 PHE A 9 13.774 -3.051 -5.757 1.00 0.00 H new ATOM 0 HD1 PHE A 9 16.936 -1.600 -4.448 1.00 0.00 H new ATOM 0 HD2 PHE A 9 15.153 -4.614 -6.873 1.00 0.00 H new ATOM 0 HE1 PHE A 9 19.111 -2.724 -4.647 1.00 0.00 H new ATOM 0 HE2 PHE A 9 17.327 -5.742 -7.072 1.00 0.00 H new ATOM 0 HZ PHE A 9 19.309 -4.803 -5.953 1.00 0.00 H new ATOM 100 N ILE A 10 12.259 -0.127 -5.999 1.00 0.00 N ATOM 101 CA ILE A 10 10.848 0.154 -6.232 1.00 0.00 C ATOM 102 C ILE A 10 10.659 1.028 -7.467 1.00 0.00 C ATOM 103 O ILE A 10 10.732 2.254 -7.390 1.00 0.00 O ATOM 104 CB ILE A 10 10.205 0.852 -5.020 1.00 0.00 C ATOM 105 CG1 ILE A 10 10.340 -0.021 -3.770 1.00 0.00 C ATOM 106 CG2 ILE A 10 8.742 1.162 -5.301 1.00 0.00 C ATOM 107 CD1 ILE A 10 10.425 0.772 -2.485 1.00 0.00 C ATOM 0 H ILE A 10 12.649 0.328 -5.174 1.00 0.00 H new ATOM 0 HA ILE A 10 10.357 -0.806 -6.390 1.00 0.00 H new ATOM 0 HB ILE A 10 10.727 1.792 -4.842 1.00 0.00 H new ATOM 0 HG12 ILE A 10 9.486 -0.696 -3.715 1.00 0.00 H new ATOM 0 HG13 ILE A 10 11.231 -0.641 -3.864 1.00 0.00 H new ATOM 0 HG21 ILE A 10 8.302 1.655 -4.434 1.00 0.00 H new ATOM 0 HG22 ILE A 10 8.669 1.818 -6.168 1.00 0.00 H new ATOM 0 HG23 ILE A 10 8.206 0.235 -5.502 1.00 0.00 H new ATOM 0 HD11 ILE A 10 10.519 0.088 -1.641 1.00 0.00 H new ATOM 0 HD12 ILE A 10 11.295 1.428 -2.519 1.00 0.00 H new ATOM 0 HD13 ILE A 10 9.522 1.372 -2.367 1.00 0.00 H new ATOM 119 N MET A 11 10.413 0.388 -8.606 1.00 0.00 N ATOM 120 CA MET A 11 10.209 1.108 -9.858 1.00 0.00 C ATOM 121 C MET A 11 9.219 2.254 -9.672 1.00 0.00 C ATOM 122 O MET A 11 9.320 3.287 -10.333 1.00 0.00 O ATOM 123 CB MET A 11 9.705 0.155 -10.943 1.00 0.00 C ATOM 124 CG MET A 11 10.657 -0.995 -11.232 1.00 0.00 C ATOM 125 SD MET A 11 9.946 -2.222 -12.345 1.00 0.00 S ATOM 126 CE MET A 11 8.633 -2.885 -11.324 1.00 0.00 C ATOM 0 H MET A 11 10.350 -0.627 -8.688 1.00 0.00 H new ATOM 0 HA MET A 11 11.167 1.526 -10.168 1.00 0.00 H new ATOM 0 HB2 MET A 11 8.740 -0.251 -10.639 1.00 0.00 H new ATOM 0 HB3 MET A 11 9.539 0.718 -11.861 1.00 0.00 H new ATOM 0 HG2 MET A 11 11.574 -0.601 -11.670 1.00 0.00 H new ATOM 0 HG3 MET A 11 10.933 -1.477 -10.294 1.00 0.00 H new ATOM 0 HE1 MET A 11 8.645 -3.974 -11.378 1.00 0.00 H new ATOM 0 HE2 MET A 11 8.782 -2.571 -10.291 1.00 0.00 H new ATOM 0 HE3 MET A 11 7.672 -2.514 -11.681 1.00 0.00 H new ATOM 136 N ASP A 12 8.264 2.063 -8.768 1.00 0.00 N ATOM 137 CA ASP A 12 7.256 3.081 -8.495 1.00 0.00 C ATOM 138 C ASP A 12 6.947 3.152 -7.003 1.00 0.00 C ATOM 139 O ASP A 12 6.543 2.162 -6.395 1.00 0.00 O ATOM 140 CB ASP A 12 5.977 2.787 -9.280 1.00 0.00 C ATOM 141 CG ASP A 12 5.967 3.454 -10.642 1.00 0.00 C ATOM 142 OD1 ASP A 12 6.067 4.698 -10.693 1.00 0.00 O ATOM 143 OD2 ASP A 12 5.860 2.733 -11.656 1.00 0.00 O ATOM 0 H ASP A 12 8.167 1.213 -8.212 1.00 0.00 H new ATOM 0 HA ASP A 12 7.653 4.045 -8.812 1.00 0.00 H new ATOM 0 HB2 ASP A 12 5.871 1.709 -9.406 1.00 0.00 H new ATOM 0 HB3 ASP A 12 5.115 3.127 -8.706 1.00 0.00 H new ATOM 148 N ALA A 13 7.141 4.330 -6.419 1.00 0.00 N ATOM 149 CA ALA A 13 6.882 4.531 -4.999 1.00 0.00 C ATOM 150 C ALA A 13 5.506 5.149 -4.774 1.00 0.00 C ATOM 151 O ALA A 13 5.040 5.985 -5.548 1.00 0.00 O ATOM 152 CB ALA A 13 7.963 5.407 -4.383 1.00 0.00 C ATOM 0 H ALA A 13 7.477 5.160 -6.908 1.00 0.00 H new ATOM 0 HA ALA A 13 6.898 3.556 -4.511 1.00 0.00 H new ATOM 0 HB1 ALA A 13 7.756 5.548 -3.322 1.00 0.00 H new ATOM 0 HB2 ALA A 13 8.934 4.925 -4.502 1.00 0.00 H new ATOM 0 HB3 ALA A 13 7.975 6.376 -4.883 1.00 0.00 H new ATOM 158 N PRO A 14 4.838 4.728 -3.689 1.00 0.00 N ATOM 159 CA PRO A 14 3.505 5.228 -3.338 1.00 0.00 C ATOM 160 C PRO A 14 3.534 6.682 -2.877 1.00 0.00 C ATOM 161 O PRO A 14 4.580 7.197 -2.484 1.00 0.00 O ATOM 162 CB PRO A 14 3.074 4.312 -2.190 1.00 0.00 C ATOM 163 CG PRO A 14 4.350 3.833 -1.588 1.00 0.00 C ATOM 164 CD PRO A 14 5.332 3.734 -2.723 1.00 0.00 C ATOM 0 HA PRO A 14 2.827 5.214 -4.191 1.00 0.00 H new ATOM 0 HB2 PRO A 14 2.469 4.850 -1.460 1.00 0.00 H new ATOM 0 HB3 PRO A 14 2.470 3.480 -2.553 1.00 0.00 H new ATOM 0 HG2 PRO A 14 4.705 4.525 -0.824 1.00 0.00 H new ATOM 0 HG3 PRO A 14 4.214 2.866 -1.104 1.00 0.00 H new ATOM 0 HD2 PRO A 14 6.347 3.961 -2.397 1.00 0.00 H new ATOM 0 HD3 PRO A 14 5.351 2.732 -3.152 1.00 0.00 H new ATOM 172 N ARG A 15 2.378 7.336 -2.929 1.00 0.00 N ATOM 173 CA ARG A 15 2.272 8.731 -2.517 1.00 0.00 C ATOM 174 C ARG A 15 0.962 8.981 -1.775 1.00 0.00 C ATOM 175 O ARG A 15 -0.062 8.368 -2.079 1.00 0.00 O ATOM 176 CB ARG A 15 2.364 9.652 -3.735 1.00 0.00 C ATOM 177 CG ARG A 15 2.635 11.105 -3.381 1.00 0.00 C ATOM 178 CD ARG A 15 1.342 11.879 -3.173 1.00 0.00 C ATOM 179 NE ARG A 15 1.538 13.319 -3.311 1.00 0.00 N ATOM 180 CZ ARG A 15 1.582 13.947 -4.481 1.00 0.00 C ATOM 181 NH1 ARG A 15 1.444 13.263 -5.609 1.00 0.00 N ATOM 182 NH2 ARG A 15 1.764 15.260 -4.524 1.00 0.00 N ATOM 0 H ARG A 15 1.503 6.923 -3.252 1.00 0.00 H new ATOM 0 HA ARG A 15 3.099 8.948 -1.841 1.00 0.00 H new ATOM 0 HB2 ARG A 15 3.156 9.293 -4.392 1.00 0.00 H new ATOM 0 HB3 ARG A 15 1.432 9.592 -4.297 1.00 0.00 H new ATOM 0 HG2 ARG A 15 3.239 11.153 -2.475 1.00 0.00 H new ATOM 0 HG3 ARG A 15 3.216 11.572 -4.176 1.00 0.00 H new ATOM 0 HD2 ARG A 15 0.598 11.543 -3.896 1.00 0.00 H new ATOM 0 HD3 ARG A 15 0.944 11.661 -2.182 1.00 0.00 H new ATOM 0 HE ARG A 15 1.647 13.874 -2.462 1.00 0.00 H new ATOM 0 HH11 ARG A 15 1.304 12.253 -5.579 1.00 0.00 H new ATOM 0 HH12 ARG A 15 1.478 13.747 -6.506 1.00 0.00 H new ATOM 0 HH21 ARG A 15 1.870 15.789 -3.658 1.00 0.00 H new ATOM 0 HH22 ARG A 15 1.798 15.741 -5.423 1.00 0.00 H new ATOM 196 N ASP A 16 1.003 9.883 -0.801 1.00 0.00 N ATOM 197 CA ASP A 16 -0.180 10.214 -0.015 1.00 0.00 C ATOM 198 C ASP A 16 -1.410 10.335 -0.909 1.00 0.00 C ATOM 199 O ASP A 16 -1.391 11.044 -1.916 1.00 0.00 O ATOM 200 CB ASP A 16 0.039 11.520 0.751 1.00 0.00 C ATOM 201 CG ASP A 16 0.008 12.735 -0.155 1.00 0.00 C ATOM 202 OD1 ASP A 16 -1.101 13.232 -0.443 1.00 0.00 O ATOM 203 OD2 ASP A 16 1.092 13.189 -0.576 1.00 0.00 O ATOM 0 H ASP A 16 1.843 10.398 -0.537 1.00 0.00 H new ATOM 0 HA ASP A 16 -0.349 9.407 0.698 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -0.730 11.622 1.517 1.00 0.00 H new ATOM 0 HB3 ASP A 16 0.999 11.479 1.266 1.00 0.00 H new ATOM 208 N LEU A 17 -2.477 9.637 -0.536 1.00 0.00 N ATOM 209 CA LEU A 17 -3.717 9.665 -1.305 1.00 0.00 C ATOM 210 C LEU A 17 -4.885 10.120 -0.437 1.00 0.00 C ATOM 211 O LEU A 17 -4.930 9.836 0.759 1.00 0.00 O ATOM 212 CB LEU A 17 -4.008 8.282 -1.889 1.00 0.00 C ATOM 213 CG LEU A 17 -5.403 8.085 -2.485 1.00 0.00 C ATOM 214 CD1 LEU A 17 -5.443 8.574 -3.924 1.00 0.00 C ATOM 215 CD2 LEU A 17 -5.816 6.623 -2.405 1.00 0.00 C ATOM 0 H LEU A 17 -2.509 9.045 0.294 1.00 0.00 H new ATOM 0 HA LEU A 17 -3.595 10.378 -2.120 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -3.271 8.075 -2.665 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.862 7.540 -1.104 1.00 0.00 H new ATOM 0 HG LEU A 17 -6.112 8.674 -1.903 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -6.443 8.426 -4.331 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -5.192 9.634 -3.955 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -4.722 8.013 -4.519 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -6.811 6.502 -2.834 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -5.104 6.013 -2.961 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -5.829 6.305 -1.362 1.00 0.00 H new ATOM 227 N ASN A 18 -5.831 10.826 -1.049 1.00 0.00 N ATOM 228 CA ASN A 18 -7.001 11.319 -0.333 1.00 0.00 C ATOM 229 C ASN A 18 -8.285 10.752 -0.932 1.00 0.00 C ATOM 230 O ASN A 18 -8.705 11.153 -2.018 1.00 0.00 O ATOM 231 CB ASN A 18 -7.041 12.848 -0.368 1.00 0.00 C ATOM 232 CG ASN A 18 -7.289 13.387 -1.764 1.00 0.00 C ATOM 233 OD1 ASN A 18 -6.397 13.379 -2.612 1.00 0.00 O ATOM 234 ND2 ASN A 18 -8.505 13.860 -2.008 1.00 0.00 N ATOM 0 H ASN A 18 -5.809 11.069 -2.039 1.00 0.00 H new ATOM 0 HA ASN A 18 -6.927 10.988 0.703 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -7.825 13.204 0.301 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -6.097 13.242 0.009 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -8.730 14.237 -2.929 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -9.214 13.847 -1.275 1.00 0.00 H new ATOM 241 N ILE A 19 -8.903 9.817 -0.217 1.00 0.00 N ATOM 242 CA ILE A 19 -10.139 9.197 -0.678 1.00 0.00 C ATOM 243 C ILE A 19 -11.206 9.224 0.411 1.00 0.00 C ATOM 244 O ILE A 19 -10.898 9.374 1.593 1.00 0.00 O ATOM 245 CB ILE A 19 -9.907 7.739 -1.117 1.00 0.00 C ATOM 246 CG1 ILE A 19 -11.188 7.154 -1.717 1.00 0.00 C ATOM 247 CG2 ILE A 19 -9.436 6.899 0.061 1.00 0.00 C ATOM 248 CD1 ILE A 19 -10.941 5.990 -2.650 1.00 0.00 C ATOM 0 H ILE A 19 -8.568 9.473 0.683 1.00 0.00 H new ATOM 0 HA ILE A 19 -10.483 9.776 -1.535 1.00 0.00 H new ATOM 0 HB ILE A 19 -9.130 7.725 -1.882 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -11.843 6.829 -0.909 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -11.717 7.938 -2.259 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -9.277 5.871 -0.266 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -8.502 7.306 0.448 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -10.192 6.917 0.846 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -11.893 5.626 -3.038 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -10.312 6.315 -3.479 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -10.440 5.188 -2.107 1.00 0.00 H new ATOM 260 N SER A 20 -12.463 9.077 0.003 1.00 0.00 N ATOM 261 CA SER A 20 -13.577 9.087 0.944 1.00 0.00 C ATOM 262 C SER A 20 -13.834 7.688 1.496 1.00 0.00 C ATOM 263 O SER A 20 -13.436 6.690 0.897 1.00 0.00 O ATOM 264 CB SER A 20 -14.841 9.619 0.264 1.00 0.00 C ATOM 265 OG SER A 20 -14.802 11.031 0.151 1.00 0.00 O ATOM 0 H SER A 20 -12.735 8.950 -0.972 1.00 0.00 H new ATOM 0 HA SER A 20 -13.315 9.744 1.773 1.00 0.00 H new ATOM 0 HB2 SER A 20 -14.940 9.174 -0.726 1.00 0.00 H new ATOM 0 HB3 SER A 20 -15.719 9.321 0.837 1.00 0.00 H new ATOM 0 HG SER A 20 -15.619 11.347 -0.288 1.00 0.00 H new ATOM 271 N GLU A 21 -14.503 7.625 2.643 1.00 0.00 N ATOM 272 CA GLU A 21 -14.813 6.349 3.277 1.00 0.00 C ATOM 273 C GLU A 21 -15.836 5.569 2.458 1.00 0.00 C ATOM 274 O GLU A 21 -16.848 6.117 2.023 1.00 0.00 O ATOM 275 CB GLU A 21 -15.343 6.574 4.695 1.00 0.00 C ATOM 276 CG GLU A 21 -16.165 5.413 5.229 1.00 0.00 C ATOM 277 CD GLU A 21 -16.813 5.723 6.564 1.00 0.00 C ATOM 278 OE1 GLU A 21 -17.793 6.497 6.582 1.00 0.00 O ATOM 279 OE2 GLU A 21 -16.341 5.192 7.591 1.00 0.00 O ATOM 0 H GLU A 21 -14.840 8.442 3.152 1.00 0.00 H new ATOM 0 HA GLU A 21 -13.894 5.766 3.329 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -14.501 6.751 5.365 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -15.954 7.476 4.706 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -16.938 5.157 4.505 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -15.524 4.537 5.335 1.00 0.00 H new ATOM 286 N GLY A 22 -15.564 4.284 2.251 1.00 0.00 N ATOM 287 CA GLY A 22 -16.469 3.448 1.484 1.00 0.00 C ATOM 288 C GLY A 22 -16.203 3.522 -0.007 1.00 0.00 C ATOM 289 O GLY A 22 -17.133 3.475 -0.813 1.00 0.00 O ATOM 0 H GLY A 22 -14.733 3.807 2.601 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -16.373 2.414 1.816 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -17.497 3.753 1.682 1.00 0.00 H new ATOM 293 N ARG A 23 -14.932 3.639 -0.375 1.00 0.00 N ATOM 294 CA ARG A 23 -14.547 3.722 -1.778 1.00 0.00 C ATOM 295 C ARG A 23 -13.322 2.856 -2.059 1.00 0.00 C ATOM 296 O ARG A 23 -12.664 2.378 -1.136 1.00 0.00 O ATOM 297 CB ARG A 23 -14.257 5.174 -2.164 1.00 0.00 C ATOM 298 CG ARG A 23 -15.439 6.107 -1.955 1.00 0.00 C ATOM 299 CD ARG A 23 -15.396 7.284 -2.917 1.00 0.00 C ATOM 300 NE ARG A 23 -16.641 8.048 -2.903 1.00 0.00 N ATOM 301 CZ ARG A 23 -16.954 8.960 -3.817 1.00 0.00 C ATOM 302 NH1 ARG A 23 -16.118 9.220 -4.812 1.00 0.00 N ATOM 303 NH2 ARG A 23 -18.106 9.614 -3.736 1.00 0.00 N ATOM 0 H ARG A 23 -14.151 3.678 0.280 1.00 0.00 H new ATOM 0 HA ARG A 23 -15.378 3.352 -2.379 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -13.412 5.535 -1.578 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -13.957 5.210 -3.211 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -16.369 5.555 -2.095 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -15.437 6.474 -0.929 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -14.566 7.939 -2.652 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -15.205 6.920 -3.927 1.00 0.00 H new ATOM 0 HE ARG A 23 -17.306 7.872 -2.150 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -15.232 8.719 -4.877 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -16.361 9.921 -5.512 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -18.752 9.417 -2.972 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -18.345 10.314 -4.438 1.00 0.00 H new ATOM 317 N MET A 24 -13.024 2.658 -3.339 1.00 0.00 N ATOM 318 CA MET A 24 -11.879 1.850 -3.740 1.00 0.00 C ATOM 319 C MET A 24 -10.629 2.713 -3.884 1.00 0.00 C ATOM 320 O MET A 24 -10.644 3.735 -4.568 1.00 0.00 O ATOM 321 CB MET A 24 -12.171 1.132 -5.059 1.00 0.00 C ATOM 322 CG MET A 24 -11.447 -0.196 -5.202 1.00 0.00 C ATOM 323 SD MET A 24 -12.080 -1.190 -6.566 1.00 0.00 S ATOM 324 CE MET A 24 -11.297 -2.765 -6.230 1.00 0.00 C ATOM 0 H MET A 24 -13.559 3.046 -4.116 1.00 0.00 H new ATOM 0 HA MET A 24 -11.700 1.108 -2.962 1.00 0.00 H new ATOM 0 HB2 MET A 24 -13.245 0.962 -5.140 1.00 0.00 H new ATOM 0 HB3 MET A 24 -11.888 1.782 -5.887 1.00 0.00 H new ATOM 0 HG2 MET A 24 -10.384 -0.011 -5.356 1.00 0.00 H new ATOM 0 HG3 MET A 24 -11.542 -0.759 -4.273 1.00 0.00 H new ATOM 0 HE1 MET A 24 -12.003 -3.572 -6.427 1.00 0.00 H new ATOM 0 HE2 MET A 24 -10.424 -2.882 -6.872 1.00 0.00 H new ATOM 0 HE3 MET A 24 -10.986 -2.802 -5.186 1.00 0.00 H new ATOM 334 N ALA A 25 -9.548 2.293 -3.233 1.00 0.00 N ATOM 335 CA ALA A 25 -8.290 3.027 -3.290 1.00 0.00 C ATOM 336 C ALA A 25 -7.127 2.098 -3.624 1.00 0.00 C ATOM 337 O ALA A 25 -7.250 0.877 -3.529 1.00 0.00 O ATOM 338 CB ALA A 25 -8.035 3.741 -1.971 1.00 0.00 C ATOM 0 H ALA A 25 -9.519 1.449 -2.661 1.00 0.00 H new ATOM 0 HA ALA A 25 -8.367 3.770 -4.084 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -7.092 4.285 -2.028 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -8.847 4.441 -1.774 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -7.983 3.009 -1.165 1.00 0.00 H new ATOM 344 N GLU A 26 -6.000 2.684 -4.015 1.00 0.00 N ATOM 345 CA GLU A 26 -4.817 1.907 -4.363 1.00 0.00 C ATOM 346 C GLU A 26 -3.543 2.685 -4.047 1.00 0.00 C ATOM 347 O GLU A 26 -3.532 3.916 -4.067 1.00 0.00 O ATOM 348 CB GLU A 26 -4.844 1.532 -5.847 1.00 0.00 C ATOM 349 CG GLU A 26 -5.999 0.619 -6.223 1.00 0.00 C ATOM 350 CD GLU A 26 -5.994 0.247 -7.693 1.00 0.00 C ATOM 351 OE1 GLU A 26 -6.507 1.041 -8.508 1.00 0.00 O ATOM 352 OE2 GLU A 26 -5.475 -0.839 -8.027 1.00 0.00 O ATOM 0 H GLU A 26 -5.882 3.694 -4.099 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.823 0.996 -3.765 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -4.903 2.443 -6.442 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -3.905 1.042 -6.107 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -5.950 -0.289 -5.622 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -6.941 1.111 -5.980 1.00 0.00 H new ATOM 359 N LEU A 27 -2.470 1.958 -3.756 1.00 0.00 N ATOM 360 CA LEU A 27 -1.189 2.578 -3.435 1.00 0.00 C ATOM 361 C LEU A 27 -0.155 2.285 -4.518 1.00 0.00 C ATOM 362 O LEU A 27 0.295 1.149 -4.670 1.00 0.00 O ATOM 363 CB LEU A 27 -0.683 2.078 -2.081 1.00 0.00 C ATOM 364 CG LEU A 27 -1.118 2.889 -0.860 1.00 0.00 C ATOM 365 CD1 LEU A 27 -1.157 2.009 0.379 1.00 0.00 C ATOM 366 CD2 LEU A 27 -0.187 4.074 -0.647 1.00 0.00 C ATOM 0 H LEU A 27 -2.461 0.938 -3.736 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.338 3.657 -3.384 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -1.019 1.050 -1.947 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.406 2.056 -2.108 1.00 0.00 H new ATOM 0 HG LEU A 27 -2.123 3.271 -1.041 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -1.469 2.603 1.238 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -1.865 1.195 0.225 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -0.165 1.597 0.564 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -0.512 4.640 0.226 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.830 3.714 -0.489 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -0.211 4.718 -1.526 1.00 0.00 H new ATOM 378 N LYS A 28 0.219 3.316 -5.267 1.00 0.00 N ATOM 379 CA LYS A 28 1.203 3.171 -6.333 1.00 0.00 C ATOM 380 C LYS A 28 2.491 2.548 -5.804 1.00 0.00 C ATOM 381 O LYS A 28 3.286 3.213 -5.139 1.00 0.00 O ATOM 382 CB LYS A 28 1.504 4.532 -6.965 1.00 0.00 C ATOM 383 CG LYS A 28 0.434 5.003 -7.934 1.00 0.00 C ATOM 384 CD LYS A 28 -0.772 5.567 -7.201 1.00 0.00 C ATOM 385 CE LYS A 28 -1.804 6.122 -8.170 1.00 0.00 C ATOM 386 NZ LYS A 28 -1.311 7.342 -8.867 1.00 0.00 N ATOM 0 H LYS A 28 -0.145 4.262 -5.155 1.00 0.00 H new ATOM 0 HA LYS A 28 0.785 2.509 -7.092 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.618 5.273 -6.174 1.00 0.00 H new ATOM 0 HB3 LYS A 28 2.458 4.477 -7.489 1.00 0.00 H new ATOM 0 HG2 LYS A 28 0.849 5.765 -8.594 1.00 0.00 H new ATOM 0 HG3 LYS A 28 0.121 4.171 -8.565 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -1.227 4.786 -6.592 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -0.450 6.355 -6.520 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -2.057 5.360 -8.907 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -2.720 6.358 -7.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -2.099 7.795 -9.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -0.920 8.007 -8.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -0.569 7.078 -9.547 1.00 0.00 H new ATOM 400 N CYS A 29 2.691 1.270 -6.106 1.00 0.00 N ATOM 401 CA CYS A 29 3.883 0.557 -5.661 1.00 0.00 C ATOM 402 C CYS A 29 4.260 -0.542 -6.649 1.00 0.00 C ATOM 403 O CYS A 29 3.440 -1.397 -6.984 1.00 0.00 O ATOM 404 CB CYS A 29 3.656 -0.044 -4.273 1.00 0.00 C ATOM 405 SG CYS A 29 4.891 -1.272 -3.789 1.00 0.00 S ATOM 0 H CYS A 29 2.043 0.706 -6.657 1.00 0.00 H new ATOM 0 HA CYS A 29 4.705 1.271 -5.609 1.00 0.00 H new ATOM 0 HB2 CYS A 29 3.651 0.760 -3.537 1.00 0.00 H new ATOM 0 HB3 CYS A 29 2.669 -0.507 -4.246 1.00 0.00 H new ATOM 0 HG CYS A 29 4.363 -2.459 -3.832 1.00 0.00 H new ATOM 411 N ARG A 30 5.505 -0.512 -7.113 1.00 0.00 N ATOM 412 CA ARG A 30 5.989 -1.504 -8.065 1.00 0.00 C ATOM 413 C ARG A 30 7.241 -2.198 -7.537 1.00 0.00 C ATOM 414 O ARG A 30 8.171 -1.548 -7.058 1.00 0.00 O ATOM 415 CB ARG A 30 6.289 -0.845 -9.413 1.00 0.00 C ATOM 416 CG ARG A 30 5.043 -0.417 -10.172 1.00 0.00 C ATOM 417 CD ARG A 30 4.499 -1.548 -11.031 1.00 0.00 C ATOM 418 NE ARG A 30 5.102 -1.565 -12.360 1.00 0.00 N ATOM 419 CZ ARG A 30 4.807 -0.688 -13.313 1.00 0.00 C ATOM 420 NH1 ARG A 30 3.921 0.271 -13.084 1.00 0.00 N ATOM 421 NH2 ARG A 30 5.399 -0.769 -14.498 1.00 0.00 N ATOM 0 H ARG A 30 6.196 0.188 -6.845 1.00 0.00 H new ATOM 0 HA ARG A 30 5.208 -2.253 -8.200 1.00 0.00 H new ATOM 0 HB2 ARG A 30 6.922 0.027 -9.249 1.00 0.00 H new ATOM 0 HB3 ARG A 30 6.859 -1.541 -10.029 1.00 0.00 H new ATOM 0 HG2 ARG A 30 4.278 -0.095 -9.466 1.00 0.00 H new ATOM 0 HG3 ARG A 30 5.276 0.441 -10.803 1.00 0.00 H new ATOM 0 HD2 ARG A 30 4.686 -2.501 -10.536 1.00 0.00 H new ATOM 0 HD3 ARG A 30 3.418 -1.444 -11.125 1.00 0.00 H new ATOM 0 HE ARG A 30 5.788 -2.291 -12.569 1.00 0.00 H new ATOM 0 HH11 ARG A 30 3.464 0.337 -12.174 1.00 0.00 H new ATOM 0 HH12 ARG A 30 3.696 0.943 -13.817 1.00 0.00 H new ATOM 0 HH21 ARG A 30 6.081 -1.505 -14.678 1.00 0.00 H new ATOM 0 HH22 ARG A 30 5.171 -0.095 -15.229 1.00 0.00 H new ATOM 435 N THR A 31 7.259 -3.525 -7.628 1.00 0.00 N ATOM 436 CA THR A 31 8.395 -4.308 -7.158 1.00 0.00 C ATOM 437 C THR A 31 8.887 -5.264 -8.238 1.00 0.00 C ATOM 438 O THR A 31 8.122 -5.737 -9.079 1.00 0.00 O ATOM 439 CB THR A 31 8.037 -5.116 -5.897 1.00 0.00 C ATOM 440 OG1 THR A 31 6.837 -5.865 -6.120 1.00 0.00 O ATOM 441 CG2 THR A 31 7.851 -4.197 -4.700 1.00 0.00 C ATOM 0 H THR A 31 6.499 -4.079 -8.023 1.00 0.00 H new ATOM 0 HA THR A 31 9.188 -3.601 -6.914 1.00 0.00 H new ATOM 0 HB THR A 31 8.859 -5.800 -5.685 1.00 0.00 H new ATOM 0 HG1 THR A 31 6.617 -6.377 -5.314 1.00 0.00 H new ATOM 0 HG21 THR A 31 7.599 -4.791 -3.821 1.00 0.00 H new ATOM 0 HG22 THR A 31 8.775 -3.649 -4.515 1.00 0.00 H new ATOM 0 HG23 THR A 31 7.046 -3.491 -4.905 1.00 0.00 H new ATOM 449 N PRO A 32 10.196 -5.558 -8.217 1.00 0.00 N ATOM 450 CA PRO A 32 10.820 -6.463 -9.188 1.00 0.00 C ATOM 451 C PRO A 32 10.390 -7.912 -8.989 1.00 0.00 C ATOM 452 O PRO A 32 9.756 -8.266 -7.995 1.00 0.00 O ATOM 453 CB PRO A 32 12.316 -6.305 -8.909 1.00 0.00 C ATOM 454 CG PRO A 32 12.392 -5.869 -7.486 1.00 0.00 C ATOM 455 CD PRO A 32 11.167 -5.031 -7.244 1.00 0.00 C ATOM 0 HA PRO A 32 10.536 -6.221 -10.212 1.00 0.00 H new ATOM 0 HB2 PRO A 32 12.849 -7.243 -9.065 1.00 0.00 H new ATOM 0 HB3 PRO A 32 12.767 -5.568 -9.574 1.00 0.00 H new ATOM 0 HG2 PRO A 32 12.416 -6.728 -6.815 1.00 0.00 H new ATOM 0 HG3 PRO A 32 13.300 -5.295 -7.302 1.00 0.00 H new ATOM 0 HD2 PRO A 32 10.806 -5.133 -6.221 1.00 0.00 H new ATOM 0 HD3 PRO A 32 11.366 -3.972 -7.408 1.00 0.00 H new ATOM 463 N PRO A 33 10.744 -8.773 -9.955 1.00 0.00 N ATOM 464 CA PRO A 33 10.406 -10.199 -9.907 1.00 0.00 C ATOM 465 C PRO A 33 11.182 -10.942 -8.825 1.00 0.00 C ATOM 466 O PRO A 33 12.339 -10.626 -8.550 1.00 0.00 O ATOM 467 CB PRO A 33 10.806 -10.705 -11.295 1.00 0.00 C ATOM 468 CG PRO A 33 11.861 -9.758 -11.754 1.00 0.00 C ATOM 469 CD PRO A 33 11.501 -8.421 -11.168 1.00 0.00 C ATOM 0 HA PRO A 33 9.356 -10.361 -9.666 1.00 0.00 H new ATOM 0 HB2 PRO A 33 11.183 -11.727 -11.250 1.00 0.00 H new ATOM 0 HB3 PRO A 33 9.954 -10.709 -11.975 1.00 0.00 H new ATOM 0 HG2 PRO A 33 12.847 -10.079 -11.417 1.00 0.00 H new ATOM 0 HG3 PRO A 33 11.896 -9.710 -12.842 1.00 0.00 H new ATOM 0 HD2 PRO A 33 12.388 -7.834 -10.932 1.00 0.00 H new ATOM 0 HD3 PRO A 33 10.901 -7.828 -11.858 1.00 0.00 H new ATOM 477 N MET A 34 10.537 -11.932 -8.216 1.00 0.00 N ATOM 478 CA MET A 34 11.168 -12.722 -7.165 1.00 0.00 C ATOM 479 C MET A 34 11.569 -11.838 -5.988 1.00 0.00 C ATOM 480 O MET A 34 12.638 -12.015 -5.402 1.00 0.00 O ATOM 481 CB MET A 34 12.397 -13.450 -7.713 1.00 0.00 C ATOM 482 CG MET A 34 12.074 -14.434 -8.826 1.00 0.00 C ATOM 483 SD MET A 34 13.261 -15.787 -8.923 1.00 0.00 S ATOM 484 CE MET A 34 12.167 -17.203 -8.867 1.00 0.00 C ATOM 0 H MET A 34 9.579 -12.206 -8.432 1.00 0.00 H new ATOM 0 HA MET A 34 10.445 -13.458 -6.814 1.00 0.00 H new ATOM 0 HB2 MET A 34 13.109 -12.714 -8.085 1.00 0.00 H new ATOM 0 HB3 MET A 34 12.887 -13.983 -6.898 1.00 0.00 H new ATOM 0 HG2 MET A 34 11.076 -14.842 -8.666 1.00 0.00 H new ATOM 0 HG3 MET A 34 12.053 -13.905 -9.779 1.00 0.00 H new ATOM 0 HE1 MET A 34 12.755 -18.119 -8.918 1.00 0.00 H new ATOM 0 HE2 MET A 34 11.599 -17.188 -7.937 1.00 0.00 H new ATOM 0 HE3 MET A 34 11.480 -17.165 -9.712 1.00 0.00 H new ATOM 494 N SER A 35 10.706 -10.887 -5.647 1.00 0.00 N ATOM 495 CA SER A 35 10.973 -9.973 -4.542 1.00 0.00 C ATOM 496 C SER A 35 9.860 -10.040 -3.500 1.00 0.00 C ATOM 497 O SER A 35 8.688 -10.207 -3.838 1.00 0.00 O ATOM 498 CB SER A 35 11.117 -8.541 -5.060 1.00 0.00 C ATOM 499 OG SER A 35 9.883 -8.052 -5.557 1.00 0.00 O ATOM 0 H SER A 35 9.816 -10.729 -6.120 1.00 0.00 H new ATOM 0 HA SER A 35 11.907 -10.276 -4.070 1.00 0.00 H new ATOM 0 HB2 SER A 35 11.471 -7.894 -4.257 1.00 0.00 H new ATOM 0 HB3 SER A 35 11.868 -8.510 -5.849 1.00 0.00 H new ATOM 0 HG SER A 35 9.771 -8.333 -6.489 1.00 0.00 H new ATOM 505 N SER A 36 10.236 -9.909 -2.232 1.00 0.00 N ATOM 506 CA SER A 36 9.272 -9.958 -1.140 1.00 0.00 C ATOM 507 C SER A 36 8.658 -8.583 -0.895 1.00 0.00 C ATOM 508 O SER A 36 9.339 -7.655 -0.459 1.00 0.00 O ATOM 509 CB SER A 36 9.942 -10.465 0.138 1.00 0.00 C ATOM 510 OG SER A 36 9.018 -11.158 0.959 1.00 0.00 O ATOM 0 H SER A 36 11.202 -9.768 -1.936 1.00 0.00 H new ATOM 0 HA SER A 36 8.476 -10.647 -1.422 1.00 0.00 H new ATOM 0 HB2 SER A 36 10.770 -11.125 -0.119 1.00 0.00 H new ATOM 0 HB3 SER A 36 10.364 -9.624 0.689 1.00 0.00 H new ATOM 0 HG SER A 36 9.472 -11.473 1.768 1.00 0.00 H new ATOM 516 N VAL A 37 7.365 -8.460 -1.178 1.00 0.00 N ATOM 517 CA VAL A 37 6.657 -7.200 -0.987 1.00 0.00 C ATOM 518 C VAL A 37 5.604 -7.321 0.108 1.00 0.00 C ATOM 519 O VAL A 37 4.729 -8.185 0.051 1.00 0.00 O ATOM 520 CB VAL A 37 5.977 -6.736 -2.289 1.00 0.00 C ATOM 521 CG1 VAL A 37 5.211 -7.883 -2.930 1.00 0.00 C ATOM 522 CG2 VAL A 37 5.057 -5.555 -2.018 1.00 0.00 C ATOM 0 H VAL A 37 6.787 -9.218 -1.540 1.00 0.00 H new ATOM 0 HA VAL A 37 7.401 -6.461 -0.690 1.00 0.00 H new ATOM 0 HB VAL A 37 6.750 -6.413 -2.986 1.00 0.00 H new ATOM 0 HG11 VAL A 37 4.737 -7.536 -3.848 1.00 0.00 H new ATOM 0 HG12 VAL A 37 5.899 -8.696 -3.161 1.00 0.00 H new ATOM 0 HG13 VAL A 37 4.446 -8.240 -2.240 1.00 0.00 H new ATOM 0 HG21 VAL A 37 4.585 -5.240 -2.949 1.00 0.00 H new ATOM 0 HG22 VAL A 37 4.289 -5.849 -1.303 1.00 0.00 H new ATOM 0 HG23 VAL A 37 5.637 -4.728 -1.608 1.00 0.00 H new ATOM 532 N LYS A 38 5.693 -6.448 1.106 1.00 0.00 N ATOM 533 CA LYS A 38 4.747 -6.455 2.215 1.00 0.00 C ATOM 534 C LYS A 38 4.139 -5.071 2.421 1.00 0.00 C ATOM 535 O LYS A 38 4.512 -4.113 1.743 1.00 0.00 O ATOM 536 CB LYS A 38 5.439 -6.915 3.500 1.00 0.00 C ATOM 537 CG LYS A 38 5.816 -8.386 3.494 1.00 0.00 C ATOM 538 CD LYS A 38 6.326 -8.837 4.853 1.00 0.00 C ATOM 539 CE LYS A 38 6.025 -10.306 5.103 1.00 0.00 C ATOM 540 NZ LYS A 38 6.982 -11.198 4.390 1.00 0.00 N ATOM 0 H LYS A 38 6.411 -5.726 1.169 1.00 0.00 H new ATOM 0 HA LYS A 38 3.946 -7.152 1.971 1.00 0.00 H new ATOM 0 HB2 LYS A 38 6.339 -6.319 3.652 1.00 0.00 H new ATOM 0 HB3 LYS A 38 4.781 -6.721 4.347 1.00 0.00 H new ATOM 0 HG2 LYS A 38 4.949 -8.984 3.213 1.00 0.00 H new ATOM 0 HG3 LYS A 38 6.583 -8.563 2.740 1.00 0.00 H new ATOM 0 HD2 LYS A 38 7.401 -8.670 4.913 1.00 0.00 H new ATOM 0 HD3 LYS A 38 5.866 -8.232 5.634 1.00 0.00 H new ATOM 0 HE2 LYS A 38 6.068 -10.508 6.173 1.00 0.00 H new ATOM 0 HE3 LYS A 38 5.009 -10.529 4.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 6.743 -12.191 4.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 6.923 -11.023 3.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 7.949 -11.003 4.719 1.00 0.00 H new ATOM 554 N TRP A 39 3.204 -4.973 3.359 1.00 0.00 N ATOM 555 CA TRP A 39 2.547 -3.705 3.654 1.00 0.00 C ATOM 556 C TRP A 39 2.208 -3.599 5.136 1.00 0.00 C ATOM 557 O TRP A 39 1.276 -4.244 5.618 1.00 0.00 O ATOM 558 CB TRP A 39 1.276 -3.560 2.816 1.00 0.00 C ATOM 559 CG TRP A 39 1.541 -3.138 1.402 1.00 0.00 C ATOM 560 CD1 TRP A 39 1.683 -3.955 0.316 1.00 0.00 C ATOM 561 CD2 TRP A 39 1.698 -1.799 0.922 1.00 0.00 C ATOM 562 NE1 TRP A 39 1.919 -3.203 -0.809 1.00 0.00 N ATOM 563 CE2 TRP A 39 1.931 -1.878 -0.465 1.00 0.00 C ATOM 564 CE3 TRP A 39 1.661 -0.540 1.528 1.00 0.00 C ATOM 565 CZ2 TRP A 39 2.129 -0.746 -1.252 1.00 0.00 C ATOM 566 CZ3 TRP A 39 1.857 0.582 0.746 1.00 0.00 C ATOM 567 CH2 TRP A 39 2.088 0.473 -0.632 1.00 0.00 C ATOM 0 H TRP A 39 2.884 -5.756 3.928 1.00 0.00 H new ATOM 0 HA TRP A 39 3.236 -2.899 3.400 1.00 0.00 H new ATOM 0 HB2 TRP A 39 0.743 -4.511 2.810 1.00 0.00 H new ATOM 0 HB3 TRP A 39 0.619 -2.830 3.289 1.00 0.00 H new ATOM 0 HD1 TRP A 39 1.619 -5.033 0.339 1.00 0.00 H new ATOM 0 HE1 TRP A 39 2.062 -3.572 -1.749 1.00 0.00 H new ATOM 0 HE3 TRP A 39 1.482 -0.446 2.589 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 2.309 -0.828 -2.314 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 1.832 1.560 1.204 1.00 0.00 H new ATOM 0 HH2 TRP A 39 2.237 1.369 -1.216 1.00 0.00 H new ATOM 578 N LEU A 40 2.970 -2.783 5.856 1.00 0.00 N ATOM 579 CA LEU A 40 2.750 -2.593 7.285 1.00 0.00 C ATOM 580 C LEU A 40 1.631 -1.586 7.535 1.00 0.00 C ATOM 581 O LEU A 40 1.502 -0.595 6.816 1.00 0.00 O ATOM 582 CB LEU A 40 4.038 -2.119 7.961 1.00 0.00 C ATOM 583 CG LEU A 40 4.132 -2.358 9.468 1.00 0.00 C ATOM 584 CD1 LEU A 40 5.577 -2.270 9.934 1.00 0.00 C ATOM 585 CD2 LEU A 40 3.266 -1.359 10.222 1.00 0.00 C ATOM 0 H LEU A 40 3.746 -2.242 5.473 1.00 0.00 H new ATOM 0 HA LEU A 40 2.454 -3.551 7.712 1.00 0.00 H new ATOM 0 HB2 LEU A 40 4.881 -2.617 7.481 1.00 0.00 H new ATOM 0 HB3 LEU A 40 4.150 -1.051 7.775 1.00 0.00 H new ATOM 0 HG LEU A 40 3.763 -3.362 9.680 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.624 -2.443 11.009 1.00 0.00 H new ATOM 0 HD12 LEU A 40 6.172 -3.024 9.419 1.00 0.00 H new ATOM 0 HD13 LEU A 40 5.972 -1.280 9.708 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.345 -1.544 11.293 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.604 -0.346 10.003 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.227 -1.470 9.911 1.00 0.00 H new ATOM 597 N LEU A 41 0.826 -1.846 8.559 1.00 0.00 N ATOM 598 CA LEU A 41 -0.281 -0.962 8.906 1.00 0.00 C ATOM 599 C LEU A 41 0.105 -0.028 10.048 1.00 0.00 C ATOM 600 O LEU A 41 0.956 -0.344 10.880 1.00 0.00 O ATOM 601 CB LEU A 41 -1.512 -1.782 9.296 1.00 0.00 C ATOM 602 CG LEU A 41 -2.034 -2.754 8.237 1.00 0.00 C ATOM 603 CD1 LEU A 41 -2.168 -2.057 6.892 1.00 0.00 C ATOM 604 CD2 LEU A 41 -1.117 -3.963 8.124 1.00 0.00 C ATOM 0 H LEU A 41 0.919 -2.662 9.164 1.00 0.00 H new ATOM 0 HA LEU A 41 -0.518 -0.357 8.031 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -1.276 -2.349 10.196 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -2.316 -1.093 9.555 1.00 0.00 H new ATOM 0 HG LEU A 41 -3.021 -3.099 8.544 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -2.541 -2.764 6.151 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.866 -1.224 6.982 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -1.194 -1.682 6.578 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.504 -4.644 7.366 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.117 -3.636 7.841 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -1.072 -4.477 9.084 1.00 0.00 H new ATOM 616 N PRO A 42 -0.535 1.149 10.092 1.00 0.00 N ATOM 617 CA PRO A 42 -0.277 2.152 11.130 1.00 0.00 C ATOM 618 C PRO A 42 -0.785 1.714 12.499 1.00 0.00 C ATOM 619 O PRO A 42 -0.708 2.465 13.470 1.00 0.00 O ATOM 620 CB PRO A 42 -1.053 3.378 10.639 1.00 0.00 C ATOM 621 CG PRO A 42 -2.136 2.822 9.781 1.00 0.00 C ATOM 622 CD PRO A 42 -1.561 1.593 9.133 1.00 0.00 C ATOM 0 HA PRO A 42 0.789 2.331 11.267 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -1.462 3.948 11.473 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -0.410 4.054 10.076 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -3.016 2.575 10.375 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -2.451 3.548 9.031 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -2.322 0.828 8.976 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -1.129 1.818 8.158 1.00 0.00 H new ATOM 630 N ASN A 43 -1.304 0.492 12.569 1.00 0.00 N ATOM 631 CA ASN A 43 -1.825 -0.047 13.820 1.00 0.00 C ATOM 632 C ASN A 43 -0.833 -1.020 14.449 1.00 0.00 C ATOM 633 O ASN A 43 -0.967 -1.395 15.613 1.00 0.00 O ATOM 634 CB ASN A 43 -3.163 -0.749 13.580 1.00 0.00 C ATOM 635 CG ASN A 43 -3.017 -1.993 12.725 1.00 0.00 C ATOM 636 OD1 ASN A 43 -2.667 -3.107 13.356 1.00 0.00 O flip ATOM 637 ND2 ASN A 43 -3.217 -1.952 11.510 1.00 0.00 N flip ATOM 0 H ASN A 43 -1.375 -0.143 11.774 1.00 0.00 H new ATOM 0 HA ASN A 43 -1.977 0.784 14.508 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -3.605 -1.020 14.539 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -3.852 -0.057 13.095 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -3.485 -1.073 11.067 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -3.115 -2.797 10.948 1.00 0.00 H new ATOM 644 N GLY A 44 0.165 -1.425 13.669 1.00 0.00 N ATOM 645 CA GLY A 44 1.167 -2.350 14.166 1.00 0.00 C ATOM 646 C GLY A 44 1.230 -3.627 13.352 1.00 0.00 C ATOM 647 O GLY A 44 2.307 -4.189 13.146 1.00 0.00 O ATOM 0 H GLY A 44 0.297 -1.129 12.702 1.00 0.00 H new ATOM 0 HA2 GLY A 44 2.143 -1.865 14.152 1.00 0.00 H new ATOM 0 HA3 GLY A 44 0.947 -2.595 15.205 1.00 0.00 H new ATOM 651 N THR A 45 0.074 -4.090 12.888 1.00 0.00 N ATOM 652 CA THR A 45 0.002 -5.311 12.095 1.00 0.00 C ATOM 653 C THR A 45 0.593 -5.099 10.706 1.00 0.00 C ATOM 654 O THR A 45 0.848 -3.967 10.294 1.00 0.00 O ATOM 655 CB THR A 45 -1.451 -5.804 11.953 1.00 0.00 C ATOM 656 OG1 THR A 45 -2.084 -5.839 13.237 1.00 0.00 O ATOM 657 CG2 THR A 45 -1.493 -7.187 11.323 1.00 0.00 C ATOM 0 H THR A 45 -0.826 -3.638 13.048 1.00 0.00 H new ATOM 0 HA THR A 45 0.584 -6.066 12.623 1.00 0.00 H new ATOM 0 HB THR A 45 -1.986 -5.110 11.304 1.00 0.00 H new ATOM 0 HG1 THR A 45 -2.377 -4.936 13.482 1.00 0.00 H new ATOM 0 HG21 THR A 45 -2.529 -7.514 11.233 1.00 0.00 H new ATOM 0 HG22 THR A 45 -1.037 -7.150 10.334 1.00 0.00 H new ATOM 0 HG23 THR A 45 -0.944 -7.889 11.950 1.00 0.00 H new ATOM 665 N VAL A 46 0.808 -6.196 9.986 1.00 0.00 N ATOM 666 CA VAL A 46 1.367 -6.130 8.641 1.00 0.00 C ATOM 667 C VAL A 46 0.921 -7.322 7.802 1.00 0.00 C ATOM 668 O VAL A 46 0.957 -8.465 8.258 1.00 0.00 O ATOM 669 CB VAL A 46 2.907 -6.088 8.675 1.00 0.00 C ATOM 670 CG1 VAL A 46 3.457 -7.284 9.438 1.00 0.00 C ATOM 671 CG2 VAL A 46 3.469 -6.041 7.263 1.00 0.00 C ATOM 0 H VAL A 46 0.603 -7.141 10.312 1.00 0.00 H new ATOM 0 HA VAL A 46 0.995 -5.211 8.188 1.00 0.00 H new ATOM 0 HB VAL A 46 3.218 -5.182 9.195 1.00 0.00 H new ATOM 0 HG11 VAL A 46 4.546 -7.237 9.452 1.00 0.00 H new ATOM 0 HG12 VAL A 46 3.080 -7.268 10.461 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.139 -8.205 8.949 1.00 0.00 H new ATOM 0 HG21 VAL A 46 4.558 -6.012 7.306 1.00 0.00 H new ATOM 0 HG22 VAL A 46 3.151 -6.928 6.715 1.00 0.00 H new ATOM 0 HG23 VAL A 46 3.102 -5.150 6.755 1.00 0.00 H new ATOM 681 N LEU A 47 0.500 -7.047 6.572 1.00 0.00 N ATOM 682 CA LEU A 47 0.047 -8.097 5.666 1.00 0.00 C ATOM 683 C LEU A 47 1.058 -8.326 4.548 1.00 0.00 C ATOM 684 O LEU A 47 2.079 -7.642 4.471 1.00 0.00 O ATOM 685 CB LEU A 47 -1.314 -7.731 5.071 1.00 0.00 C ATOM 686 CG LEU A 47 -2.439 -7.475 6.074 1.00 0.00 C ATOM 687 CD1 LEU A 47 -3.510 -6.587 5.461 1.00 0.00 C ATOM 688 CD2 LEU A 47 -3.041 -8.790 6.547 1.00 0.00 C ATOM 0 H LEU A 47 0.463 -6.106 6.179 1.00 0.00 H new ATOM 0 HA LEU A 47 -0.049 -9.020 6.238 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -1.192 -6.838 4.458 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -1.625 -8.536 4.405 1.00 0.00 H new ATOM 0 HG LEU A 47 -2.019 -6.959 6.937 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -4.302 -6.416 6.190 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -3.070 -5.632 5.173 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -3.927 -7.075 4.580 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -3.840 -8.589 7.260 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -3.445 -9.333 5.693 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -2.269 -9.392 7.027 1.00 0.00 H new ATOM 700 N SER A 48 0.767 -9.291 3.682 1.00 0.00 N ATOM 701 CA SER A 48 1.652 -9.612 2.568 1.00 0.00 C ATOM 702 C SER A 48 0.915 -10.417 1.503 1.00 0.00 C ATOM 703 O SER A 48 -0.286 -10.663 1.614 1.00 0.00 O ATOM 704 CB SER A 48 2.868 -10.396 3.066 1.00 0.00 C ATOM 705 OG SER A 48 2.548 -11.762 3.264 1.00 0.00 O ATOM 0 H SER A 48 -0.075 -9.865 3.730 1.00 0.00 H new ATOM 0 HA SER A 48 1.989 -8.676 2.122 1.00 0.00 H new ATOM 0 HB2 SER A 48 3.680 -10.311 2.344 1.00 0.00 H new ATOM 0 HB3 SER A 48 3.225 -9.964 4.001 1.00 0.00 H new ATOM 0 HG SER A 48 3.342 -12.241 3.581 1.00 0.00 H new ATOM 711 N HIS A 49 1.644 -10.825 0.469 1.00 0.00 N ATOM 712 CA HIS A 49 1.060 -11.603 -0.618 1.00 0.00 C ATOM 713 C HIS A 49 0.354 -12.844 -0.080 1.00 0.00 C ATOM 714 O HIS A 49 -0.577 -13.358 -0.699 1.00 0.00 O ATOM 715 CB HIS A 49 2.141 -12.012 -1.619 1.00 0.00 C ATOM 716 CG HIS A 49 1.595 -12.531 -2.913 1.00 0.00 C ATOM 717 ND1 HIS A 49 0.867 -11.753 -3.789 1.00 0.00 N ATOM 718 CD2 HIS A 49 1.673 -13.758 -3.479 1.00 0.00 C ATOM 719 CE1 HIS A 49 0.521 -12.480 -4.837 1.00 0.00 C ATOM 720 NE2 HIS A 49 0.999 -13.700 -4.673 1.00 0.00 N ATOM 0 H HIS A 49 2.639 -10.630 0.361 1.00 0.00 H new ATOM 0 HA HIS A 49 0.324 -10.978 -1.124 1.00 0.00 H new ATOM 0 HB2 HIS A 49 2.780 -11.152 -1.823 1.00 0.00 H new ATOM 0 HB3 HIS A 49 2.772 -12.778 -1.167 1.00 0.00 H new ATOM 0 HD2 HIS A 49 2.173 -14.622 -3.067 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -0.055 -12.135 -5.683 1.00 0.00 H new ATOM 0 HE2 HIS A 49 0.886 -14.474 -5.328 1.00 0.00 H new ATOM 729 N ALA A 50 0.804 -13.320 1.077 1.00 0.00 N ATOM 730 CA ALA A 50 0.214 -14.499 1.698 1.00 0.00 C ATOM 731 C ALA A 50 -1.186 -14.201 2.224 1.00 0.00 C ATOM 732 O ALA A 50 -2.172 -14.760 1.744 1.00 0.00 O ATOM 733 CB ALA A 50 1.106 -15.004 2.823 1.00 0.00 C ATOM 0 H ALA A 50 1.575 -12.907 1.602 1.00 0.00 H new ATOM 0 HA ALA A 50 0.130 -15.276 0.938 1.00 0.00 H new ATOM 0 HB1 ALA A 50 0.654 -15.885 3.278 1.00 0.00 H new ATOM 0 HB2 ALA A 50 2.085 -15.265 2.422 1.00 0.00 H new ATOM 0 HB3 ALA A 50 1.219 -14.224 3.576 1.00 0.00 H new ATOM 739 N SER A 51 -1.266 -13.316 3.213 1.00 0.00 N ATOM 740 CA SER A 51 -2.545 -12.946 3.806 1.00 0.00 C ATOM 741 C SER A 51 -3.652 -12.947 2.756 1.00 0.00 C ATOM 742 O SER A 51 -3.402 -12.708 1.575 1.00 0.00 O ATOM 743 CB SER A 51 -2.449 -11.567 4.461 1.00 0.00 C ATOM 744 OG SER A 51 -1.199 -11.395 5.106 1.00 0.00 O ATOM 0 H SER A 51 -0.460 -12.842 3.620 1.00 0.00 H new ATOM 0 HA SER A 51 -2.790 -13.686 4.568 1.00 0.00 H new ATOM 0 HB2 SER A 51 -2.582 -10.792 3.706 1.00 0.00 H new ATOM 0 HB3 SER A 51 -3.255 -11.448 5.185 1.00 0.00 H new ATOM 0 HG SER A 51 -1.344 -11.073 6.020 1.00 0.00 H new ATOM 750 N ARG A 52 -4.876 -13.219 3.196 1.00 0.00 N ATOM 751 CA ARG A 52 -6.022 -13.253 2.295 1.00 0.00 C ATOM 752 C ARG A 52 -7.000 -12.128 2.618 1.00 0.00 C ATOM 753 O ARG A 52 -8.211 -12.277 2.450 1.00 0.00 O ATOM 754 CB ARG A 52 -6.733 -14.605 2.390 1.00 0.00 C ATOM 755 CG ARG A 52 -7.693 -14.870 1.243 1.00 0.00 C ATOM 756 CD ARG A 52 -8.681 -15.974 1.586 1.00 0.00 C ATOM 757 NE ARG A 52 -8.181 -17.293 1.207 1.00 0.00 N ATOM 758 CZ ARG A 52 -8.095 -17.713 -0.050 1.00 0.00 C ATOM 759 NH1 ARG A 52 -8.473 -16.921 -1.044 1.00 0.00 N ATOM 760 NH2 ARG A 52 -7.629 -18.926 -0.315 1.00 0.00 N ATOM 0 H ARG A 52 -5.100 -13.419 4.171 1.00 0.00 H new ATOM 0 HA ARG A 52 -5.657 -13.113 1.277 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -5.986 -15.398 2.417 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -7.282 -14.652 3.330 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -8.236 -13.956 1.003 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -7.129 -15.149 0.353 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -8.886 -15.958 2.657 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -9.627 -15.785 1.078 1.00 0.00 H new ATOM 0 HE ARG A 52 -7.881 -17.926 1.948 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -8.831 -15.987 -0.844 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -8.406 -17.246 -2.009 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -7.336 -19.538 0.447 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -7.563 -19.247 -1.281 1.00 0.00 H new ATOM 774 N HIS A 53 -6.468 -11.002 3.082 1.00 0.00 N ATOM 775 CA HIS A 53 -7.294 -9.851 3.428 1.00 0.00 C ATOM 776 C HIS A 53 -8.188 -9.453 2.257 1.00 0.00 C ATOM 777 O HIS A 53 -7.739 -9.319 1.119 1.00 0.00 O ATOM 778 CB HIS A 53 -6.414 -8.669 3.837 1.00 0.00 C ATOM 779 CG HIS A 53 -7.083 -7.725 4.787 1.00 0.00 C ATOM 780 ND1 HIS A 53 -8.123 -6.898 4.419 1.00 0.00 N ATOM 781 CD2 HIS A 53 -6.857 -7.481 6.099 1.00 0.00 C ATOM 782 CE1 HIS A 53 -8.506 -6.184 5.463 1.00 0.00 C ATOM 783 NE2 HIS A 53 -7.754 -6.519 6.495 1.00 0.00 N ATOM 0 H HIS A 53 -5.468 -10.862 3.227 1.00 0.00 H new ATOM 0 HA HIS A 53 -7.929 -10.130 4.269 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -5.501 -9.048 4.297 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -6.117 -8.121 2.943 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -6.110 -7.955 6.719 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -9.299 -5.451 5.471 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -7.827 -6.127 7.434 1.00 0.00 H new ATOM 792 N PRO A 54 -9.485 -9.260 2.541 1.00 0.00 N ATOM 793 CA PRO A 54 -10.469 -8.875 1.526 1.00 0.00 C ATOM 794 C PRO A 54 -10.264 -7.447 1.032 1.00 0.00 C ATOM 795 O PRO A 54 -10.192 -7.201 -0.173 1.00 0.00 O ATOM 796 CB PRO A 54 -11.806 -8.999 2.262 1.00 0.00 C ATOM 797 CG PRO A 54 -11.464 -8.818 3.701 1.00 0.00 C ATOM 798 CD PRO A 54 -10.090 -9.402 3.877 1.00 0.00 C ATOM 0 HA PRO A 54 -10.399 -9.497 0.634 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -12.515 -8.243 1.925 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -12.268 -9.970 2.084 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -11.478 -7.763 3.976 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -12.188 -9.323 4.341 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -9.520 -8.866 4.635 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -10.134 -10.445 4.189 1.00 0.00 H new ATOM 806 N ARG A 55 -10.171 -6.509 1.969 1.00 0.00 N ATOM 807 CA ARG A 55 -9.974 -5.105 1.628 1.00 0.00 C ATOM 808 C ARG A 55 -8.547 -4.856 1.150 1.00 0.00 C ATOM 809 O ARG A 55 -8.320 -4.533 -0.016 1.00 0.00 O ATOM 810 CB ARG A 55 -10.282 -4.217 2.835 1.00 0.00 C ATOM 811 CG ARG A 55 -11.763 -3.929 3.018 1.00 0.00 C ATOM 812 CD ARG A 55 -11.999 -2.890 4.102 1.00 0.00 C ATOM 813 NE ARG A 55 -11.151 -3.115 5.270 1.00 0.00 N ATOM 814 CZ ARG A 55 -9.936 -2.595 5.407 1.00 0.00 C ATOM 815 NH1 ARG A 55 -9.430 -1.824 4.454 1.00 0.00 N ATOM 816 NH2 ARG A 55 -9.225 -2.846 6.499 1.00 0.00 N ATOM 0 H ARG A 55 -10.229 -6.696 2.970 1.00 0.00 H new ATOM 0 HA ARG A 55 -10.658 -4.855 0.817 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -9.900 -4.698 3.736 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -9.748 -3.273 2.727 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -12.185 -3.577 2.077 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -12.285 -4.851 3.276 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -11.805 -1.896 3.699 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -13.046 -2.913 4.404 1.00 0.00 H new ATOM 0 HE ARG A 55 -11.511 -3.703 6.021 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -9.974 -1.629 3.613 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -8.497 -1.426 4.562 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -9.611 -3.439 7.234 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -8.292 -2.446 6.603 1.00 0.00 H new ATOM 830 N ILE A 56 -7.589 -5.009 2.058 1.00 0.00 N ATOM 831 CA ILE A 56 -6.185 -4.801 1.729 1.00 0.00 C ATOM 832 C ILE A 56 -5.652 -5.931 0.855 1.00 0.00 C ATOM 833 O ILE A 56 -5.186 -6.953 1.359 1.00 0.00 O ATOM 834 CB ILE A 56 -5.319 -4.697 2.999 1.00 0.00 C ATOM 835 CG1 ILE A 56 -5.797 -3.538 3.876 1.00 0.00 C ATOM 836 CG2 ILE A 56 -3.854 -4.518 2.627 1.00 0.00 C ATOM 837 CD1 ILE A 56 -5.032 -3.407 5.174 1.00 0.00 C ATOM 0 H ILE A 56 -7.760 -5.276 3.027 1.00 0.00 H new ATOM 0 HA ILE A 56 -6.125 -3.861 1.180 1.00 0.00 H new ATOM 0 HB ILE A 56 -5.420 -5.622 3.567 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -5.707 -2.608 3.315 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -6.855 -3.675 4.099 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -3.254 -4.446 3.534 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -3.521 -5.373 2.039 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -3.736 -3.607 2.041 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -5.425 -2.565 5.744 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -5.142 -4.322 5.755 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -3.977 -3.239 4.959 1.00 0.00 H new ATOM 849 N SER A 57 -5.723 -5.739 -0.458 1.00 0.00 N ATOM 850 CA SER A 57 -5.249 -6.743 -1.404 1.00 0.00 C ATOM 851 C SER A 57 -3.880 -6.362 -1.961 1.00 0.00 C ATOM 852 O SER A 57 -3.709 -5.289 -2.538 1.00 0.00 O ATOM 853 CB SER A 57 -6.250 -6.908 -2.549 1.00 0.00 C ATOM 854 OG SER A 57 -6.173 -8.206 -3.111 1.00 0.00 O ATOM 0 H SER A 57 -6.104 -4.898 -0.891 1.00 0.00 H new ATOM 0 HA SER A 57 -5.155 -7.690 -0.873 1.00 0.00 H new ATOM 0 HB2 SER A 57 -7.260 -6.727 -2.182 1.00 0.00 H new ATOM 0 HB3 SER A 57 -6.052 -6.163 -3.319 1.00 0.00 H new ATOM 0 HG SER A 57 -6.824 -8.286 -3.839 1.00 0.00 H new ATOM 860 N VAL A 58 -2.908 -7.251 -1.782 1.00 0.00 N ATOM 861 CA VAL A 58 -1.554 -7.010 -2.267 1.00 0.00 C ATOM 862 C VAL A 58 -1.377 -7.538 -3.686 1.00 0.00 C ATOM 863 O VAL A 58 -1.072 -8.714 -3.890 1.00 0.00 O ATOM 864 CB VAL A 58 -0.505 -7.669 -1.352 1.00 0.00 C ATOM 865 CG1 VAL A 58 0.900 -7.382 -1.857 1.00 0.00 C ATOM 866 CG2 VAL A 58 -0.673 -7.189 0.082 1.00 0.00 C ATOM 0 H VAL A 58 -3.033 -8.144 -1.305 1.00 0.00 H new ATOM 0 HA VAL A 58 -1.403 -5.930 -2.262 1.00 0.00 H new ATOM 0 HB VAL A 58 -0.658 -8.748 -1.371 1.00 0.00 H new ATOM 0 HG11 VAL A 58 1.627 -7.856 -1.198 1.00 0.00 H new ATOM 0 HG12 VAL A 58 1.012 -7.779 -2.866 1.00 0.00 H new ATOM 0 HG13 VAL A 58 1.069 -6.305 -1.870 1.00 0.00 H new ATOM 0 HG21 VAL A 58 0.076 -7.665 0.715 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -0.547 -6.107 0.121 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -1.669 -7.451 0.439 1.00 0.00 H new ATOM 876 N LEU A 59 -1.569 -6.661 -4.665 1.00 0.00 N ATOM 877 CA LEU A 59 -1.429 -7.037 -6.068 1.00 0.00 C ATOM 878 C LEU A 59 -0.044 -7.615 -6.342 1.00 0.00 C ATOM 879 O LEU A 59 0.926 -7.273 -5.667 1.00 0.00 O ATOM 880 CB LEU A 59 -1.675 -5.825 -6.969 1.00 0.00 C ATOM 881 CG LEU A 59 -3.122 -5.337 -7.056 1.00 0.00 C ATOM 882 CD1 LEU A 59 -3.540 -4.673 -5.753 1.00 0.00 C ATOM 883 CD2 LEU A 59 -3.291 -4.377 -8.225 1.00 0.00 C ATOM 0 H LEU A 59 -1.822 -5.685 -4.514 1.00 0.00 H new ATOM 0 HA LEU A 59 -2.172 -7.803 -6.288 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.055 -5.002 -6.614 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.334 -6.070 -7.975 1.00 0.00 H new ATOM 0 HG LEU A 59 -3.767 -6.199 -7.224 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -4.572 -4.332 -5.833 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.457 -5.390 -4.936 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -2.891 -3.820 -5.554 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -4.326 -4.040 -8.272 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -2.635 -3.517 -8.088 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -3.033 -4.886 -9.154 1.00 0.00 H new ATOM 895 N ASN A 60 0.039 -8.492 -7.337 1.00 0.00 N ATOM 896 CA ASN A 60 1.306 -9.116 -7.701 1.00 0.00 C ATOM 897 C ASN A 60 2.375 -8.062 -7.971 1.00 0.00 C ATOM 898 O ASN A 60 3.527 -8.212 -7.565 1.00 0.00 O ATOM 899 CB ASN A 60 1.125 -10.003 -8.935 1.00 0.00 C ATOM 900 CG ASN A 60 -0.231 -10.681 -8.966 1.00 0.00 C ATOM 901 OD1 ASN A 60 -0.675 -11.251 -7.969 1.00 0.00 O ATOM 902 ND2 ASN A 60 -0.896 -10.623 -10.114 1.00 0.00 N ATOM 0 H ASN A 60 -0.755 -8.787 -7.905 1.00 0.00 H new ATOM 0 HA ASN A 60 1.633 -9.732 -6.863 1.00 0.00 H new ATOM 0 HB2 ASN A 60 1.247 -9.399 -9.834 1.00 0.00 H new ATOM 0 HB3 ASN A 60 1.908 -10.761 -8.952 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -1.813 -11.062 -10.195 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -0.490 -10.140 -10.915 1.00 0.00 H new ATOM 909 N ASP A 61 1.984 -6.994 -8.659 1.00 0.00 N ATOM 910 CA ASP A 61 2.907 -5.913 -8.982 1.00 0.00 C ATOM 911 C ASP A 61 3.441 -5.256 -7.713 1.00 0.00 C ATOM 912 O ASP A 61 4.442 -4.542 -7.745 1.00 0.00 O ATOM 913 CB ASP A 61 2.216 -4.868 -9.860 1.00 0.00 C ATOM 914 CG ASP A 61 1.892 -5.397 -11.243 1.00 0.00 C ATOM 915 OD1 ASP A 61 2.831 -5.560 -12.050 1.00 0.00 O ATOM 916 OD2 ASP A 61 0.700 -5.646 -11.520 1.00 0.00 O ATOM 0 H ASP A 61 1.034 -6.854 -9.003 1.00 0.00 H new ATOM 0 HA ASP A 61 3.747 -6.339 -9.530 1.00 0.00 H new ATOM 0 HB2 ASP A 61 1.296 -4.541 -9.375 1.00 0.00 H new ATOM 0 HB3 ASP A 61 2.858 -3.992 -9.950 1.00 0.00 H new ATOM 921 N GLY A 62 2.765 -5.504 -6.595 1.00 0.00 N ATOM 922 CA GLY A 62 3.185 -4.929 -5.331 1.00 0.00 C ATOM 923 C GLY A 62 2.307 -3.771 -4.900 1.00 0.00 C ATOM 924 O GLY A 62 2.683 -2.987 -4.028 1.00 0.00 O ATOM 0 H GLY A 62 1.934 -6.093 -6.543 1.00 0.00 H new ATOM 0 HA2 GLY A 62 3.167 -5.700 -4.561 1.00 0.00 H new ATOM 0 HA3 GLY A 62 4.216 -4.587 -5.416 1.00 0.00 H new ATOM 928 N THR A 63 1.132 -3.662 -5.513 1.00 0.00 N ATOM 929 CA THR A 63 0.198 -2.590 -5.190 1.00 0.00 C ATOM 930 C THR A 63 -0.755 -3.008 -4.076 1.00 0.00 C ATOM 931 O THR A 63 -1.061 -4.191 -3.918 1.00 0.00 O ATOM 932 CB THR A 63 -0.624 -2.171 -6.423 1.00 0.00 C ATOM 933 OG1 THR A 63 0.252 -1.793 -7.491 1.00 0.00 O ATOM 934 CG2 THR A 63 -1.551 -1.012 -6.087 1.00 0.00 C ATOM 0 H THR A 63 0.805 -4.303 -6.236 1.00 0.00 H new ATOM 0 HA THR A 63 0.794 -1.742 -4.855 1.00 0.00 H new ATOM 0 HB THR A 63 -1.230 -3.022 -6.734 1.00 0.00 H new ATOM 0 HG1 THR A 63 1.169 -1.721 -7.152 1.00 0.00 H new ATOM 0 HG21 THR A 63 -2.121 -0.734 -6.973 1.00 0.00 H new ATOM 0 HG22 THR A 63 -2.236 -1.312 -5.294 1.00 0.00 H new ATOM 0 HG23 THR A 63 -0.961 -0.159 -5.753 1.00 0.00 H new ATOM 942 N LEU A 64 -1.221 -2.032 -3.305 1.00 0.00 N ATOM 943 CA LEU A 64 -2.141 -2.299 -2.205 1.00 0.00 C ATOM 944 C LEU A 64 -3.514 -1.695 -2.484 1.00 0.00 C ATOM 945 O LEU A 64 -3.713 -0.489 -2.341 1.00 0.00 O ATOM 946 CB LEU A 64 -1.580 -1.737 -0.898 1.00 0.00 C ATOM 947 CG LEU A 64 -2.060 -2.416 0.386 1.00 0.00 C ATOM 948 CD1 LEU A 64 -1.570 -3.854 0.443 1.00 0.00 C ATOM 949 CD2 LEU A 64 -1.590 -1.641 1.608 1.00 0.00 C ATOM 0 H LEU A 64 -0.977 -1.048 -3.421 1.00 0.00 H new ATOM 0 HA LEU A 64 -2.252 -3.379 -2.111 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.493 -1.802 -0.935 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -1.834 -0.679 -0.842 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.150 -2.424 0.384 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -1.921 -4.322 1.363 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -1.957 -4.405 -0.414 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -0.480 -3.868 0.421 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -1.941 -2.139 2.512 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -0.501 -1.600 1.616 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -1.991 -0.628 1.573 1.00 0.00 H new ATOM 961 N ASN A 65 -4.457 -2.542 -2.882 1.00 0.00 N ATOM 962 CA ASN A 65 -5.812 -2.092 -3.180 1.00 0.00 C ATOM 963 C ASN A 65 -6.703 -2.195 -1.946 1.00 0.00 C ATOM 964 O ASN A 65 -6.510 -3.067 -1.098 1.00 0.00 O ATOM 965 CB ASN A 65 -6.407 -2.917 -4.322 1.00 0.00 C ATOM 966 CG ASN A 65 -7.815 -2.482 -4.679 1.00 0.00 C ATOM 967 OD1 ASN A 65 -8.757 -2.706 -3.919 1.00 0.00 O ATOM 968 ND2 ASN A 65 -7.964 -1.856 -5.840 1.00 0.00 N ATOM 0 H ASN A 65 -4.308 -3.543 -3.006 1.00 0.00 H new ATOM 0 HA ASN A 65 -5.762 -1.047 -3.484 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -5.769 -2.828 -5.201 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -6.416 -3.970 -4.039 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -8.888 -1.539 -6.134 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -7.154 -1.692 -6.438 1.00 0.00 H new ATOM 975 N PHE A 66 -7.680 -1.299 -1.852 1.00 0.00 N ATOM 976 CA PHE A 66 -8.601 -1.288 -0.721 1.00 0.00 C ATOM 977 C PHE A 66 -10.050 -1.255 -1.200 1.00 0.00 C ATOM 978 O PHE A 66 -10.527 -0.236 -1.700 1.00 0.00 O ATOM 979 CB PHE A 66 -8.323 -0.084 0.180 1.00 0.00 C ATOM 980 CG PHE A 66 -6.952 -0.099 0.795 1.00 0.00 C ATOM 981 CD1 PHE A 66 -5.820 -0.056 -0.003 1.00 0.00 C ATOM 982 CD2 PHE A 66 -6.797 -0.158 2.170 1.00 0.00 C ATOM 983 CE1 PHE A 66 -4.558 -0.070 0.560 1.00 0.00 C ATOM 984 CE2 PHE A 66 -5.537 -0.171 2.739 1.00 0.00 C ATOM 985 CZ PHE A 66 -4.416 -0.129 1.932 1.00 0.00 C ATOM 0 H PHE A 66 -7.854 -0.571 -2.545 1.00 0.00 H new ATOM 0 HA PHE A 66 -8.446 -2.203 -0.150 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -8.442 0.830 -0.402 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -9.069 -0.055 0.975 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -5.925 -0.011 -1.077 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -7.670 -0.194 2.805 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -3.684 -0.035 -0.073 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -5.429 -0.214 3.813 1.00 0.00 H new ATOM 0 HZ PHE A 66 -3.431 -0.142 2.374 1.00 0.00 H new ATOM 995 N SER A 67 -10.744 -2.378 -1.045 1.00 0.00 N ATOM 996 CA SER A 67 -12.137 -2.480 -1.465 1.00 0.00 C ATOM 997 C SER A 67 -12.941 -1.279 -0.976 1.00 0.00 C ATOM 998 O SER A 67 -13.608 -0.603 -1.761 1.00 0.00 O ATOM 999 CB SER A 67 -12.758 -3.773 -0.935 1.00 0.00 C ATOM 1000 OG SER A 67 -12.275 -4.900 -1.646 1.00 0.00 O ATOM 0 H SER A 67 -10.365 -3.230 -0.632 1.00 0.00 H new ATOM 0 HA SER A 67 -12.162 -2.493 -2.555 1.00 0.00 H new ATOM 0 HB2 SER A 67 -12.529 -3.882 0.125 1.00 0.00 H new ATOM 0 HB3 SER A 67 -13.843 -3.721 -1.023 1.00 0.00 H new ATOM 0 HG SER A 67 -12.686 -5.714 -1.287 1.00 0.00 H new ATOM 1006 N HIS A 68 -12.873 -1.019 0.325 1.00 0.00 N ATOM 1007 CA HIS A 68 -13.594 0.101 0.920 1.00 0.00 C ATOM 1008 C HIS A 68 -12.899 0.582 2.190 1.00 0.00 C ATOM 1009 O HIS A 68 -12.976 -0.065 3.235 1.00 0.00 O ATOM 1010 CB HIS A 68 -15.035 -0.302 1.235 1.00 0.00 C ATOM 1011 CG HIS A 68 -15.141 -1.432 2.212 1.00 0.00 C ATOM 1012 ND1 HIS A 68 -14.858 -2.741 1.883 1.00 0.00 N ATOM 1013 CD2 HIS A 68 -15.499 -1.443 3.518 1.00 0.00 C ATOM 1014 CE1 HIS A 68 -15.040 -3.508 2.943 1.00 0.00 C ATOM 1015 NE2 HIS A 68 -15.429 -2.745 3.948 1.00 0.00 N ATOM 0 H HIS A 68 -12.326 -1.568 0.988 1.00 0.00 H new ATOM 0 HA HIS A 68 -13.602 0.919 0.200 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -15.567 0.562 1.633 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -15.535 -0.585 0.309 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -15.786 -0.587 4.111 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -14.895 -4.578 2.981 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -15.643 -3.070 4.891 1.00 0.00 H new ATOM 1024 N VAL A 69 -12.219 1.720 2.092 1.00 0.00 N ATOM 1025 CA VAL A 69 -11.510 2.287 3.233 1.00 0.00 C ATOM 1026 C VAL A 69 -12.485 2.788 4.293 1.00 0.00 C ATOM 1027 O VAL A 69 -13.638 3.100 3.993 1.00 0.00 O ATOM 1028 CB VAL A 69 -10.595 3.450 2.804 1.00 0.00 C ATOM 1029 CG1 VAL A 69 -9.507 2.954 1.864 1.00 0.00 C ATOM 1030 CG2 VAL A 69 -11.411 4.556 2.151 1.00 0.00 C ATOM 0 H VAL A 69 -12.144 2.267 1.234 1.00 0.00 H new ATOM 0 HA VAL A 69 -10.899 1.489 3.654 1.00 0.00 H new ATOM 0 HB VAL A 69 -10.115 3.860 3.693 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -8.870 3.789 1.571 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -8.905 2.199 2.370 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -9.964 2.518 0.976 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -10.749 5.370 1.854 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -11.919 4.162 1.271 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -12.150 4.930 2.860 1.00 0.00 H new ATOM 1040 N LEU A 70 -12.016 2.862 5.533 1.00 0.00 N ATOM 1041 CA LEU A 70 -12.846 3.325 6.639 1.00 0.00 C ATOM 1042 C LEU A 70 -12.125 4.398 7.449 1.00 0.00 C ATOM 1043 O LEU A 70 -10.899 4.508 7.402 1.00 0.00 O ATOM 1044 CB LEU A 70 -13.223 2.152 7.546 1.00 0.00 C ATOM 1045 CG LEU A 70 -13.593 0.848 6.838 1.00 0.00 C ATOM 1046 CD1 LEU A 70 -13.258 -0.349 7.715 1.00 0.00 C ATOM 1047 CD2 LEU A 70 -15.069 0.843 6.467 1.00 0.00 C ATOM 0 H LEU A 70 -11.065 2.607 5.798 1.00 0.00 H new ATOM 0 HA LEU A 70 -13.754 3.760 6.222 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -12.387 1.954 8.216 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -14.065 2.456 8.168 1.00 0.00 H new ATOM 0 HG LEU A 70 -13.008 0.776 5.921 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -13.528 -1.268 7.195 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -12.190 -0.355 7.930 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -13.816 -0.283 8.649 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -15.315 -0.092 5.964 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -15.672 0.938 7.370 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -15.279 1.679 5.801 1.00 0.00 H new ATOM 1059 N LEU A 71 -12.893 5.185 8.194 1.00 0.00 N ATOM 1060 CA LEU A 71 -12.328 6.249 9.017 1.00 0.00 C ATOM 1061 C LEU A 71 -11.270 5.697 9.968 1.00 0.00 C ATOM 1062 O LEU A 71 -10.442 6.443 10.491 1.00 0.00 O ATOM 1063 CB LEU A 71 -13.432 6.945 9.814 1.00 0.00 C ATOM 1064 CG LEU A 71 -14.436 7.761 8.999 1.00 0.00 C ATOM 1065 CD1 LEU A 71 -15.594 8.213 9.875 1.00 0.00 C ATOM 1066 CD2 LEU A 71 -13.752 8.959 8.356 1.00 0.00 C ATOM 0 H LEU A 71 -13.909 5.107 8.245 1.00 0.00 H new ATOM 0 HA LEU A 71 -11.854 6.974 8.355 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -13.980 6.188 10.375 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -12.964 7.606 10.544 1.00 0.00 H new ATOM 0 HG LEU A 71 -14.833 7.126 8.207 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -16.298 8.792 9.277 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -16.100 7.340 10.288 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -15.215 8.831 10.689 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -14.481 9.528 7.780 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -13.326 9.595 9.132 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -12.958 8.613 7.695 1.00 0.00 H new ATOM 1078 N SER A 72 -11.303 4.386 10.185 1.00 0.00 N ATOM 1079 CA SER A 72 -10.347 3.735 11.074 1.00 0.00 C ATOM 1080 C SER A 72 -9.082 3.342 10.317 1.00 0.00 C ATOM 1081 O SER A 72 -8.029 3.124 10.917 1.00 0.00 O ATOM 1082 CB SER A 72 -10.977 2.497 11.715 1.00 0.00 C ATOM 1083 OG SER A 72 -12.194 2.823 12.365 1.00 0.00 O ATOM 0 H SER A 72 -11.980 3.754 9.758 1.00 0.00 H new ATOM 0 HA SER A 72 -10.076 4.443 11.857 1.00 0.00 H new ATOM 0 HB2 SER A 72 -11.160 1.741 10.951 1.00 0.00 H new ATOM 0 HB3 SER A 72 -10.282 2.062 12.434 1.00 0.00 H new ATOM 0 HG SER A 72 -12.578 2.015 12.765 1.00 0.00 H new ATOM 1089 N ASP A 73 -9.194 3.253 8.996 1.00 0.00 N ATOM 1090 CA ASP A 73 -8.060 2.887 8.156 1.00 0.00 C ATOM 1091 C ASP A 73 -7.130 4.078 7.950 1.00 0.00 C ATOM 1092 O ASP A 73 -5.978 3.918 7.545 1.00 0.00 O ATOM 1093 CB ASP A 73 -8.548 2.364 6.804 1.00 0.00 C ATOM 1094 CG ASP A 73 -8.988 0.915 6.867 1.00 0.00 C ATOM 1095 OD1 ASP A 73 -8.109 0.029 6.911 1.00 0.00 O ATOM 1096 OD2 ASP A 73 -10.212 0.667 6.875 1.00 0.00 O ATOM 0 H ASP A 73 -10.059 3.429 8.484 1.00 0.00 H new ATOM 0 HA ASP A 73 -7.503 2.098 8.662 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -9.380 2.978 6.459 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -7.750 2.466 6.069 1.00 0.00 H new ATOM 1101 N THR A 74 -7.638 5.274 8.229 1.00 0.00 N ATOM 1102 CA THR A 74 -6.854 6.493 8.072 1.00 0.00 C ATOM 1103 C THR A 74 -5.545 6.408 8.848 1.00 0.00 C ATOM 1104 O THR A 74 -5.538 6.117 10.043 1.00 0.00 O ATOM 1105 CB THR A 74 -7.639 7.731 8.546 1.00 0.00 C ATOM 1106 OG1 THR A 74 -8.830 7.884 7.766 1.00 0.00 O ATOM 1107 CG2 THR A 74 -6.788 8.987 8.433 1.00 0.00 C ATOM 0 H THR A 74 -8.589 5.425 8.565 1.00 0.00 H new ATOM 0 HA THR A 74 -6.637 6.595 7.009 1.00 0.00 H new ATOM 0 HB THR A 74 -7.907 7.585 9.593 1.00 0.00 H new ATOM 0 HG1 THR A 74 -9.324 8.672 8.075 1.00 0.00 H new ATOM 0 HG21 THR A 74 -7.363 9.848 8.773 1.00 0.00 H new ATOM 0 HG22 THR A 74 -5.896 8.879 9.051 1.00 0.00 H new ATOM 0 HG23 THR A 74 -6.494 9.135 7.394 1.00 0.00 H new ATOM 1115 N GLY A 75 -4.436 6.666 8.160 1.00 0.00 N ATOM 1116 CA GLY A 75 -3.136 6.614 8.801 1.00 0.00 C ATOM 1117 C GLY A 75 -1.998 6.565 7.802 1.00 0.00 C ATOM 1118 O GLY A 75 -2.131 7.041 6.674 1.00 0.00 O ATOM 0 H GLY A 75 -4.416 6.910 7.170 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -3.015 7.487 9.442 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -3.087 5.736 9.446 1.00 0.00 H new ATOM 1122 N VAL A 76 -0.873 5.990 8.215 1.00 0.00 N ATOM 1123 CA VAL A 76 0.294 5.882 7.348 1.00 0.00 C ATOM 1124 C VAL A 76 0.558 4.431 6.960 1.00 0.00 C ATOM 1125 O VAL A 76 0.518 3.535 7.804 1.00 0.00 O ATOM 1126 CB VAL A 76 1.552 6.457 8.025 1.00 0.00 C ATOM 1127 CG1 VAL A 76 2.810 5.949 7.336 1.00 0.00 C ATOM 1128 CG2 VAL A 76 1.510 7.978 8.021 1.00 0.00 C ATOM 0 H VAL A 76 -0.745 5.592 9.145 1.00 0.00 H new ATOM 0 HA VAL A 76 0.076 6.462 6.451 1.00 0.00 H new ATOM 0 HB VAL A 76 1.573 6.119 9.061 1.00 0.00 H new ATOM 0 HG11 VAL A 76 3.688 6.366 7.829 1.00 0.00 H new ATOM 0 HG12 VAL A 76 2.843 4.861 7.395 1.00 0.00 H new ATOM 0 HG13 VAL A 76 2.801 6.255 6.290 1.00 0.00 H new ATOM 0 HG21 VAL A 76 2.406 8.368 8.503 1.00 0.00 H new ATOM 0 HG22 VAL A 76 1.465 8.338 6.993 1.00 0.00 H new ATOM 0 HG23 VAL A 76 0.628 8.319 8.564 1.00 0.00 H new ATOM 1138 N TYR A 77 0.827 4.206 5.679 1.00 0.00 N ATOM 1139 CA TYR A 77 1.096 2.864 5.179 1.00 0.00 C ATOM 1140 C TYR A 77 2.519 2.757 4.641 1.00 0.00 C ATOM 1141 O TYR A 77 2.902 3.474 3.715 1.00 0.00 O ATOM 1142 CB TYR A 77 0.095 2.496 4.081 1.00 0.00 C ATOM 1143 CG TYR A 77 -1.321 2.328 4.584 1.00 0.00 C ATOM 1144 CD1 TYR A 77 -2.140 3.430 4.793 1.00 0.00 C ATOM 1145 CD2 TYR A 77 -1.839 1.066 4.849 1.00 0.00 C ATOM 1146 CE1 TYR A 77 -3.434 3.280 5.254 1.00 0.00 C ATOM 1147 CE2 TYR A 77 -3.132 0.907 5.308 1.00 0.00 C ATOM 1148 CZ TYR A 77 -3.926 2.017 5.509 1.00 0.00 C ATOM 1149 OH TYR A 77 -5.215 1.864 5.966 1.00 0.00 O ATOM 0 H TYR A 77 0.864 4.936 4.968 1.00 0.00 H new ATOM 0 HA TYR A 77 0.988 2.167 6.010 1.00 0.00 H new ATOM 0 HB2 TYR A 77 0.110 3.270 3.314 1.00 0.00 H new ATOM 0 HB3 TYR A 77 0.415 1.569 3.605 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -1.759 4.420 4.592 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -1.220 0.195 4.693 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -4.057 4.148 5.414 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -3.519 -0.081 5.508 1.00 0.00 H new ATOM 0 HH TYR A 77 -5.427 2.585 6.595 1.00 0.00 H new ATOM 1159 N THR A 78 3.301 1.856 5.228 1.00 0.00 N ATOM 1160 CA THR A 78 4.682 1.654 4.810 1.00 0.00 C ATOM 1161 C THR A 78 4.842 0.340 4.054 1.00 0.00 C ATOM 1162 O THR A 78 4.413 -0.714 4.525 1.00 0.00 O ATOM 1163 CB THR A 78 5.641 1.659 6.016 1.00 0.00 C ATOM 1164 OG1 THR A 78 5.451 2.851 6.788 1.00 0.00 O ATOM 1165 CG2 THR A 78 7.088 1.572 5.557 1.00 0.00 C ATOM 0 H THR A 78 3.001 1.254 5.995 1.00 0.00 H new ATOM 0 HA THR A 78 4.936 2.483 4.150 1.00 0.00 H new ATOM 0 HB THR A 78 5.419 0.788 6.632 1.00 0.00 H new ATOM 0 HG1 THR A 78 6.063 2.846 7.554 1.00 0.00 H new ATOM 0 HG21 THR A 78 7.746 1.577 6.426 1.00 0.00 H new ATOM 0 HG22 THR A 78 7.237 0.650 4.995 1.00 0.00 H new ATOM 0 HG23 THR A 78 7.320 2.426 4.921 1.00 0.00 H new ATOM 1173 N CYS A 79 5.461 0.410 2.881 1.00 0.00 N ATOM 1174 CA CYS A 79 5.677 -0.776 2.059 1.00 0.00 C ATOM 1175 C CYS A 79 7.107 -1.285 2.205 1.00 0.00 C ATOM 1176 O CYS A 79 8.065 -0.527 2.054 1.00 0.00 O ATOM 1177 CB CYS A 79 5.381 -0.466 0.591 1.00 0.00 C ATOM 1178 SG CYS A 79 5.541 -1.890 -0.511 1.00 0.00 S ATOM 0 H CYS A 79 5.822 1.274 2.478 1.00 0.00 H new ATOM 0 HA CYS A 79 4.996 -1.555 2.403 1.00 0.00 H new ATOM 0 HB2 CYS A 79 4.368 -0.071 0.511 1.00 0.00 H new ATOM 0 HB3 CYS A 79 6.057 0.319 0.253 1.00 0.00 H new ATOM 0 HG CYS A 79 5.540 -1.485 -1.746 1.00 0.00 H new ATOM 1184 N MET A 80 7.244 -2.574 2.501 1.00 0.00 N ATOM 1185 CA MET A 80 8.558 -3.184 2.668 1.00 0.00 C ATOM 1186 C MET A 80 9.006 -3.870 1.381 1.00 0.00 C ATOM 1187 O MET A 80 8.199 -4.474 0.674 1.00 0.00 O ATOM 1188 CB MET A 80 8.532 -4.194 3.816 1.00 0.00 C ATOM 1189 CG MET A 80 7.910 -3.649 5.092 1.00 0.00 C ATOM 1190 SD MET A 80 8.116 -4.761 6.496 1.00 0.00 S ATOM 1191 CE MET A 80 6.604 -4.445 7.403 1.00 0.00 C ATOM 0 H MET A 80 6.462 -3.216 2.630 1.00 0.00 H new ATOM 0 HA MET A 80 9.271 -2.394 2.905 1.00 0.00 H new ATOM 0 HB2 MET A 80 7.977 -5.077 3.499 1.00 0.00 H new ATOM 0 HB3 MET A 80 9.551 -4.517 4.028 1.00 0.00 H new ATOM 0 HG2 MET A 80 8.361 -2.685 5.328 1.00 0.00 H new ATOM 0 HG3 MET A 80 6.847 -3.472 4.927 1.00 0.00 H new ATOM 0 HE1 MET A 80 6.524 -5.147 8.233 1.00 0.00 H new ATOM 0 HE2 MET A 80 6.618 -3.426 7.790 1.00 0.00 H new ATOM 0 HE3 MET A 80 5.749 -4.569 6.739 1.00 0.00 H new ATOM 1201 N VAL A 81 10.298 -3.774 1.083 1.00 0.00 N ATOM 1202 CA VAL A 81 10.853 -4.386 -0.118 1.00 0.00 C ATOM 1203 C VAL A 81 12.196 -5.046 0.172 1.00 0.00 C ATOM 1204 O VAL A 81 13.187 -4.369 0.447 1.00 0.00 O ATOM 1205 CB VAL A 81 11.035 -3.350 -1.243 1.00 0.00 C ATOM 1206 CG1 VAL A 81 11.658 -3.998 -2.470 1.00 0.00 C ATOM 1207 CG2 VAL A 81 9.704 -2.702 -1.591 1.00 0.00 C ATOM 0 H VAL A 81 10.980 -3.278 1.657 1.00 0.00 H new ATOM 0 HA VAL A 81 10.142 -5.145 -0.444 1.00 0.00 H new ATOM 0 HB VAL A 81 11.711 -2.571 -0.890 1.00 0.00 H new ATOM 0 HG11 VAL A 81 11.779 -3.251 -3.254 1.00 0.00 H new ATOM 0 HG12 VAL A 81 12.632 -4.410 -2.208 1.00 0.00 H new ATOM 0 HG13 VAL A 81 11.010 -4.798 -2.828 1.00 0.00 H new ATOM 0 HG21 VAL A 81 9.852 -1.973 -2.388 1.00 0.00 H new ATOM 0 HG22 VAL A 81 9.003 -3.467 -1.925 1.00 0.00 H new ATOM 0 HG23 VAL A 81 9.302 -2.201 -0.710 1.00 0.00 H new ATOM 1217 N THR A 82 12.222 -6.374 0.110 1.00 0.00 N ATOM 1218 CA THR A 82 13.443 -7.127 0.366 1.00 0.00 C ATOM 1219 C THR A 82 13.751 -8.083 -0.780 1.00 0.00 C ATOM 1220 O THR A 82 13.028 -9.053 -1.003 1.00 0.00 O ATOM 1221 CB THR A 82 13.343 -7.931 1.677 1.00 0.00 C ATOM 1222 OG1 THR A 82 12.716 -7.137 2.691 1.00 0.00 O ATOM 1223 CG2 THR A 82 14.720 -8.370 2.149 1.00 0.00 C ATOM 0 H THR A 82 11.411 -6.950 -0.115 1.00 0.00 H new ATOM 0 HA THR A 82 14.250 -6.399 0.455 1.00 0.00 H new ATOM 0 HB THR A 82 12.741 -8.820 1.488 1.00 0.00 H new ATOM 0 HG1 THR A 82 12.654 -7.655 3.521 1.00 0.00 H new ATOM 0 HG21 THR A 82 14.624 -8.936 3.076 1.00 0.00 H new ATOM 0 HG22 THR A 82 15.183 -8.997 1.387 1.00 0.00 H new ATOM 0 HG23 THR A 82 15.342 -7.492 2.323 1.00 0.00 H new ATOM 1231 N ASN A 83 14.829 -7.803 -1.505 1.00 0.00 N ATOM 1232 CA ASN A 83 15.232 -8.640 -2.630 1.00 0.00 C ATOM 1233 C ASN A 83 16.629 -9.213 -2.408 1.00 0.00 C ATOM 1234 O ASN A 83 17.338 -8.810 -1.486 1.00 0.00 O ATOM 1235 CB ASN A 83 15.200 -7.833 -3.929 1.00 0.00 C ATOM 1236 CG ASN A 83 13.996 -6.915 -4.011 1.00 0.00 C ATOM 1237 OD1 ASN A 83 13.222 -6.803 -3.060 1.00 0.00 O ATOM 1238 ND2 ASN A 83 13.832 -6.254 -5.150 1.00 0.00 N ATOM 0 H ASN A 83 15.439 -7.004 -1.334 1.00 0.00 H new ATOM 0 HA ASN A 83 14.527 -9.468 -2.707 1.00 0.00 H new ATOM 0 HB2 ASN A 83 16.111 -7.240 -4.007 1.00 0.00 H new ATOM 0 HB3 ASN A 83 15.190 -8.517 -4.778 1.00 0.00 H new ATOM 0 HD21 ASN A 83 13.039 -5.622 -5.263 1.00 0.00 H new ATOM 0 HD22 ASN A 83 14.499 -6.378 -5.912 1.00 0.00 H new ATOM 1245 N VAL A 84 17.018 -10.156 -3.261 1.00 0.00 N ATOM 1246 CA VAL A 84 18.330 -10.784 -3.160 1.00 0.00 C ATOM 1247 C VAL A 84 19.438 -9.804 -3.531 1.00 0.00 C ATOM 1248 O VAL A 84 20.575 -9.938 -3.081 1.00 0.00 O ATOM 1249 CB VAL A 84 18.430 -12.024 -4.068 1.00 0.00 C ATOM 1250 CG1 VAL A 84 18.388 -11.618 -5.533 1.00 0.00 C ATOM 1251 CG2 VAL A 84 19.696 -12.809 -3.760 1.00 0.00 C ATOM 0 H VAL A 84 16.443 -10.502 -4.029 1.00 0.00 H new ATOM 0 HA VAL A 84 18.455 -11.093 -2.122 1.00 0.00 H new ATOM 0 HB VAL A 84 17.573 -12.668 -3.870 1.00 0.00 H new ATOM 0 HG11 VAL A 84 18.460 -12.507 -6.159 1.00 0.00 H new ATOM 0 HG12 VAL A 84 17.450 -11.103 -5.741 1.00 0.00 H new ATOM 0 HG13 VAL A 84 19.224 -10.953 -5.750 1.00 0.00 H new ATOM 0 HG21 VAL A 84 19.750 -13.682 -4.411 1.00 0.00 H new ATOM 0 HG22 VAL A 84 20.567 -12.176 -3.929 1.00 0.00 H new ATOM 0 HG23 VAL A 84 19.679 -13.133 -2.719 1.00 0.00 H new ATOM 1261 N ALA A 85 19.097 -8.819 -4.356 1.00 0.00 N ATOM 1262 CA ALA A 85 20.062 -7.816 -4.786 1.00 0.00 C ATOM 1263 C ALA A 85 20.180 -6.692 -3.762 1.00 0.00 C ATOM 1264 O ALA A 85 21.276 -6.363 -3.310 1.00 0.00 O ATOM 1265 CB ALA A 85 19.669 -7.254 -6.145 1.00 0.00 C ATOM 0 H ALA A 85 18.160 -8.695 -4.739 1.00 0.00 H new ATOM 0 HA ALA A 85 21.036 -8.298 -4.871 1.00 0.00 H new ATOM 0 HB1 ALA A 85 20.399 -6.506 -6.454 1.00 0.00 H new ATOM 0 HB2 ALA A 85 19.643 -8.060 -6.878 1.00 0.00 H new ATOM 0 HB3 ALA A 85 18.683 -6.793 -6.077 1.00 0.00 H new ATOM 1271 N GLY A 86 19.043 -6.107 -3.398 1.00 0.00 N ATOM 1272 CA GLY A 86 19.041 -5.026 -2.430 1.00 0.00 C ATOM 1273 C GLY A 86 17.717 -4.901 -1.703 1.00 0.00 C ATOM 1274 O GLY A 86 16.785 -5.662 -1.961 1.00 0.00 O ATOM 0 H GLY A 86 18.123 -6.363 -3.756 1.00 0.00 H new ATOM 0 HA2 GLY A 86 19.837 -5.192 -1.704 1.00 0.00 H new ATOM 0 HA3 GLY A 86 19.263 -4.087 -2.938 1.00 0.00 H new ATOM 1278 N ASN A 87 17.634 -3.940 -0.789 1.00 0.00 N ATOM 1279 CA ASN A 87 16.415 -3.719 -0.020 1.00 0.00 C ATOM 1280 C ASN A 87 15.965 -2.265 -0.118 1.00 0.00 C ATOM 1281 O ASN A 87 16.753 -1.382 -0.458 1.00 0.00 O ATOM 1282 CB ASN A 87 16.636 -4.099 1.446 1.00 0.00 C ATOM 1283 CG ASN A 87 17.569 -5.284 1.602 1.00 0.00 C ATOM 1284 OD1 ASN A 87 17.385 -6.321 0.963 1.00 0.00 O ATOM 1285 ND2 ASN A 87 18.576 -5.136 2.454 1.00 0.00 N ATOM 0 H ASN A 87 18.397 -3.302 -0.563 1.00 0.00 H new ATOM 0 HA ASN A 87 15.632 -4.351 -0.438 1.00 0.00 H new ATOM 0 HB2 ASN A 87 17.047 -3.244 1.982 1.00 0.00 H new ATOM 0 HB3 ASN A 87 15.676 -4.333 1.907 1.00 0.00 H new ATOM 0 HD21 ASN A 87 19.236 -5.899 2.601 1.00 0.00 H new ATOM 0 HD22 ASN A 87 18.690 -4.259 2.962 1.00 0.00 H new ATOM 1292 N SER A 88 14.693 -2.023 0.183 1.00 0.00 N ATOM 1293 CA SER A 88 14.137 -0.676 0.126 1.00 0.00 C ATOM 1294 C SER A 88 12.758 -0.629 0.777 1.00 0.00 C ATOM 1295 O SER A 88 12.182 -1.664 1.110 1.00 0.00 O ATOM 1296 CB SER A 88 14.044 -0.201 -1.325 1.00 0.00 C ATOM 1297 OG SER A 88 13.404 -1.169 -2.139 1.00 0.00 O ATOM 0 H SER A 88 14.028 -2.742 0.469 1.00 0.00 H new ATOM 0 HA SER A 88 14.803 -0.012 0.677 1.00 0.00 H new ATOM 0 HB2 SER A 88 13.492 0.738 -1.369 1.00 0.00 H new ATOM 0 HB3 SER A 88 15.044 -0.001 -1.710 1.00 0.00 H new ATOM 0 HG SER A 88 13.212 -0.782 -3.018 1.00 0.00 H new ATOM 1303 N ASN A 89 12.236 0.580 0.956 1.00 0.00 N ATOM 1304 CA ASN A 89 10.925 0.763 1.569 1.00 0.00 C ATOM 1305 C ASN A 89 10.325 2.110 1.178 1.00 0.00 C ATOM 1306 O ASN A 89 11.035 3.011 0.731 1.00 0.00 O ATOM 1307 CB ASN A 89 11.032 0.662 3.092 1.00 0.00 C ATOM 1308 CG ASN A 89 11.960 1.710 3.677 1.00 0.00 C ATOM 1309 OD1 ASN A 89 12.616 2.452 2.945 1.00 0.00 O ATOM 1310 ND2 ASN A 89 12.018 1.775 5.002 1.00 0.00 N ATOM 0 H ASN A 89 12.700 1.447 0.686 1.00 0.00 H new ATOM 0 HA ASN A 89 10.268 -0.027 1.205 1.00 0.00 H new ATOM 0 HB2 ASN A 89 10.041 0.773 3.531 1.00 0.00 H new ATOM 0 HB3 ASN A 89 11.392 -0.330 3.363 1.00 0.00 H new ATOM 0 HD21 ASN A 89 12.624 2.460 5.453 1.00 0.00 H new ATOM 0 HD22 ASN A 89 11.456 1.140 5.569 1.00 0.00 H new ATOM 1317 N ALA A 90 9.014 2.240 1.350 1.00 0.00 N ATOM 1318 CA ALA A 90 8.319 3.478 1.018 1.00 0.00 C ATOM 1319 C ALA A 90 7.233 3.790 2.042 1.00 0.00 C ATOM 1320 O ALA A 90 6.973 2.996 2.946 1.00 0.00 O ATOM 1321 CB ALA A 90 7.721 3.389 -0.378 1.00 0.00 C ATOM 0 H ALA A 90 8.412 1.503 1.717 1.00 0.00 H new ATOM 0 HA ALA A 90 9.045 4.290 1.039 1.00 0.00 H new ATOM 0 HB1 ALA A 90 7.205 4.320 -0.613 1.00 0.00 H new ATOM 0 HB2 ALA A 90 8.516 3.222 -1.104 1.00 0.00 H new ATOM 0 HB3 ALA A 90 7.013 2.562 -0.418 1.00 0.00 H new ATOM 1327 N SER A 91 6.603 4.951 1.895 1.00 0.00 N ATOM 1328 CA SER A 91 5.548 5.369 2.810 1.00 0.00 C ATOM 1329 C SER A 91 4.485 6.184 2.079 1.00 0.00 C ATOM 1330 O SER A 91 4.727 6.704 0.990 1.00 0.00 O ATOM 1331 CB SER A 91 6.136 6.192 3.958 1.00 0.00 C ATOM 1332 OG SER A 91 7.054 5.424 4.718 1.00 0.00 O ATOM 0 H SER A 91 6.805 5.619 1.151 1.00 0.00 H new ATOM 0 HA SER A 91 5.079 4.473 3.217 1.00 0.00 H new ATOM 0 HB2 SER A 91 6.638 7.073 3.558 1.00 0.00 H new ATOM 0 HB3 SER A 91 5.333 6.548 4.603 1.00 0.00 H new ATOM 0 HG SER A 91 7.417 5.973 5.444 1.00 0.00 H new ATOM 1338 N ALA A 92 3.308 6.289 2.686 1.00 0.00 N ATOM 1339 CA ALA A 92 2.208 7.041 2.094 1.00 0.00 C ATOM 1340 C ALA A 92 1.049 7.181 3.075 1.00 0.00 C ATOM 1341 O ALA A 92 0.628 6.205 3.696 1.00 0.00 O ATOM 1342 CB ALA A 92 1.740 6.371 0.812 1.00 0.00 C ATOM 0 H ALA A 92 3.091 5.863 3.587 1.00 0.00 H new ATOM 0 HA ALA A 92 2.571 8.041 1.856 1.00 0.00 H new ATOM 0 HB1 ALA A 92 0.919 6.943 0.381 1.00 0.00 H new ATOM 0 HB2 ALA A 92 2.565 6.329 0.101 1.00 0.00 H new ATOM 0 HB3 ALA A 92 1.400 5.359 1.033 1.00 0.00 H new ATOM 1348 N TYR A 93 0.537 8.399 3.209 1.00 0.00 N ATOM 1349 CA TYR A 93 -0.573 8.667 4.116 1.00 0.00 C ATOM 1350 C TYR A 93 -1.909 8.565 3.388 1.00 0.00 C ATOM 1351 O TYR A 93 -2.051 9.033 2.257 1.00 0.00 O ATOM 1352 CB TYR A 93 -0.425 10.055 4.741 1.00 0.00 C ATOM 1353 CG TYR A 93 -1.446 10.346 5.817 1.00 0.00 C ATOM 1354 CD1 TYR A 93 -2.742 10.726 5.488 1.00 0.00 C ATOM 1355 CD2 TYR A 93 -1.116 10.241 7.163 1.00 0.00 C ATOM 1356 CE1 TYR A 93 -3.678 10.994 6.468 1.00 0.00 C ATOM 1357 CE2 TYR A 93 -2.046 10.506 8.149 1.00 0.00 C ATOM 1358 CZ TYR A 93 -3.326 10.883 7.797 1.00 0.00 C ATOM 1359 OH TYR A 93 -4.256 11.148 8.776 1.00 0.00 O ATOM 0 H TYR A 93 0.873 9.217 2.701 1.00 0.00 H new ATOM 0 HA TYR A 93 -0.552 7.916 4.906 1.00 0.00 H new ATOM 0 HB2 TYR A 93 0.575 10.148 5.165 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -0.510 10.808 3.958 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -3.022 10.813 4.449 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -0.115 9.947 7.443 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -4.680 11.289 6.195 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -1.773 10.419 9.190 1.00 0.00 H new ATOM 0 HH TYR A 93 -3.848 11.022 9.658 1.00 0.00 H new ATOM 1369 N LEU A 94 -2.888 7.950 4.044 1.00 0.00 N ATOM 1370 CA LEU A 94 -4.215 7.787 3.460 1.00 0.00 C ATOM 1371 C LEU A 94 -5.262 8.546 4.268 1.00 0.00 C ATOM 1372 O LEU A 94 -5.414 8.326 5.469 1.00 0.00 O ATOM 1373 CB LEU A 94 -4.584 6.304 3.392 1.00 0.00 C ATOM 1374 CG LEU A 94 -6.026 5.989 2.994 1.00 0.00 C ATOM 1375 CD1 LEU A 94 -6.212 6.147 1.492 1.00 0.00 C ATOM 1376 CD2 LEU A 94 -6.406 4.583 3.435 1.00 0.00 C ATOM 0 H LEU A 94 -2.788 7.556 4.980 1.00 0.00 H new ATOM 0 HA LEU A 94 -4.194 8.197 2.450 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -3.917 5.816 2.681 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -4.392 5.857 4.367 1.00 0.00 H new ATOM 0 HG LEU A 94 -6.684 6.697 3.498 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -7.244 5.919 1.227 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -5.981 7.172 1.203 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -5.544 5.463 0.969 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -7.436 4.376 3.143 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -5.742 3.861 2.960 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -6.313 4.504 4.518 1.00 0.00 H new ATOM 1388 N ASN A 95 -5.983 9.440 3.600 1.00 0.00 N ATOM 1389 CA ASN A 95 -7.018 10.232 4.255 1.00 0.00 C ATOM 1390 C ASN A 95 -8.405 9.675 3.947 1.00 0.00 C ATOM 1391 O ASN A 95 -8.754 9.453 2.788 1.00 0.00 O ATOM 1392 CB ASN A 95 -6.932 11.693 3.809 1.00 0.00 C ATOM 1393 CG ASN A 95 -8.034 12.546 4.406 1.00 0.00 C ATOM 1394 OD1 ASN A 95 -8.714 12.132 5.345 1.00 0.00 O ATOM 1395 ND2 ASN A 95 -8.215 13.744 3.863 1.00 0.00 N ATOM 0 H ASN A 95 -5.870 9.634 2.605 1.00 0.00 H new ATOM 0 HA ASN A 95 -6.855 10.178 5.331 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -5.964 12.102 4.098 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -6.987 11.742 2.722 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -8.942 14.363 4.223 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -7.627 14.046 3.086 1.00 0.00 H new ATOM 1402 N VAL A 96 -9.193 9.453 4.995 1.00 0.00 N ATOM 1403 CA VAL A 96 -10.543 8.924 4.837 1.00 0.00 C ATOM 1404 C VAL A 96 -11.563 9.798 5.559 1.00 0.00 C ATOM 1405 O VAL A 96 -11.469 10.010 6.767 1.00 0.00 O ATOM 1406 CB VAL A 96 -10.647 7.483 5.372 1.00 0.00 C ATOM 1407 CG1 VAL A 96 -11.965 6.851 4.950 1.00 0.00 C ATOM 1408 CG2 VAL A 96 -9.469 6.650 4.891 1.00 0.00 C ATOM 0 H VAL A 96 -8.920 9.631 5.961 1.00 0.00 H new ATOM 0 HA VAL A 96 -10.761 8.923 3.769 1.00 0.00 H new ATOM 0 HB VAL A 96 -10.619 7.515 6.461 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -12.021 5.833 5.337 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -12.793 7.437 5.348 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -12.026 6.829 3.862 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -9.559 5.635 5.278 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -9.463 6.623 3.801 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -8.540 7.094 5.248 1.00 0.00 H new ATOM 1418 N SER A 97 -12.538 10.301 4.809 1.00 0.00 N ATOM 1419 CA SER A 97 -13.575 11.155 5.376 1.00 0.00 C ATOM 1420 C SER A 97 -14.962 10.578 5.107 1.00 0.00 C ATOM 1421 O SER A 97 -15.221 10.030 4.036 1.00 0.00 O ATOM 1422 CB SER A 97 -13.477 12.567 4.796 1.00 0.00 C ATOM 1423 OG SER A 97 -14.238 13.486 5.560 1.00 0.00 O ATOM 0 H SER A 97 -12.632 10.132 3.807 1.00 0.00 H new ATOM 0 HA SER A 97 -13.422 11.201 6.454 1.00 0.00 H new ATOM 0 HB2 SER A 97 -12.434 12.883 4.774 1.00 0.00 H new ATOM 0 HB3 SER A 97 -13.831 12.565 3.765 1.00 0.00 H new ATOM 0 HG SER A 97 -14.157 14.381 5.170 1.00 0.00 H new ATOM 1429 N SER A 98 -15.849 10.705 6.088 1.00 0.00 N ATOM 1430 CA SER A 98 -17.209 10.193 5.960 1.00 0.00 C ATOM 1431 C SER A 98 -17.925 10.844 4.780 1.00 0.00 C ATOM 1432 O SER A 98 -17.477 11.859 4.251 1.00 0.00 O ATOM 1433 CB SER A 98 -17.994 10.443 7.249 1.00 0.00 C ATOM 1434 OG SER A 98 -18.273 11.822 7.417 1.00 0.00 O ATOM 0 H SER A 98 -15.651 11.158 6.980 1.00 0.00 H new ATOM 0 HA SER A 98 -17.152 9.119 5.781 1.00 0.00 H new ATOM 0 HB2 SER A 98 -18.927 9.880 7.225 1.00 0.00 H new ATOM 0 HB3 SER A 98 -17.423 10.078 8.103 1.00 0.00 H new ATOM 0 HG SER A 98 -18.777 11.955 8.247 1.00 0.00 H new ATOM 1440 N GLY A 99 -19.043 10.249 4.374 1.00 0.00 N ATOM 1441 CA GLY A 99 -19.805 10.784 3.260 1.00 0.00 C ATOM 1442 C GLY A 99 -21.179 10.155 3.143 1.00 0.00 C ATOM 1443 O GLY A 99 -21.410 9.029 3.585 1.00 0.00 O ATOM 0 H GLY A 99 -19.434 9.407 4.796 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -19.911 11.862 3.381 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -19.253 10.620 2.334 1.00 0.00 H new ATOM 1447 N PRO A 100 -22.121 10.891 2.535 1.00 0.00 N ATOM 1448 CA PRO A 100 -23.496 10.419 2.348 1.00 0.00 C ATOM 1449 C PRO A 100 -23.587 9.287 1.331 1.00 0.00 C ATOM 1450 O PRO A 100 -23.668 9.527 0.126 1.00 0.00 O ATOM 1451 CB PRO A 100 -24.230 11.660 1.833 1.00 0.00 C ATOM 1452 CG PRO A 100 -23.170 12.488 1.192 1.00 0.00 C ATOM 1453 CD PRO A 100 -21.916 12.241 1.984 1.00 0.00 C ATOM 0 HA PRO A 100 -23.915 10.010 3.267 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -25.009 11.392 1.119 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -24.716 12.199 2.647 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -23.034 12.207 0.148 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -23.438 13.544 1.206 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -21.027 12.287 1.354 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -21.787 12.982 2.773 1.00 0.00 H new ATOM 1461 N SER A 101 -23.573 8.053 1.824 1.00 0.00 N ATOM 1462 CA SER A 101 -23.650 6.882 0.957 1.00 0.00 C ATOM 1463 C SER A 101 -24.948 6.886 0.154 1.00 0.00 C ATOM 1464 O SER A 101 -24.946 6.633 -1.051 1.00 0.00 O ATOM 1465 CB SER A 101 -23.554 5.600 1.786 1.00 0.00 C ATOM 1466 OG SER A 101 -23.011 4.538 1.021 1.00 0.00 O ATOM 0 H SER A 101 -23.509 7.838 2.819 1.00 0.00 H new ATOM 0 HA SER A 101 -22.812 6.920 0.261 1.00 0.00 H new ATOM 0 HB2 SER A 101 -22.931 5.776 2.663 1.00 0.00 H new ATOM 0 HB3 SER A 101 -24.544 5.322 2.148 1.00 0.00 H new ATOM 0 HG SER A 101 -22.958 3.730 1.574 1.00 0.00 H new ATOM 1472 N SER A 102 -26.054 7.176 0.831 1.00 0.00 N ATOM 1473 CA SER A 102 -27.360 7.209 0.182 1.00 0.00 C ATOM 1474 C SER A 102 -27.477 8.417 -0.742 1.00 0.00 C ATOM 1475 O SER A 102 -27.081 9.526 -0.386 1.00 0.00 O ATOM 1476 CB SER A 102 -28.473 7.246 1.231 1.00 0.00 C ATOM 1477 OG SER A 102 -29.750 7.293 0.618 1.00 0.00 O ATOM 0 H SER A 102 -26.072 7.391 1.828 1.00 0.00 H new ATOM 0 HA SER A 102 -27.464 6.304 -0.417 1.00 0.00 H new ATOM 0 HB2 SER A 102 -28.405 6.365 1.869 1.00 0.00 H new ATOM 0 HB3 SER A 102 -28.342 8.117 1.874 1.00 0.00 H new ATOM 0 HG SER A 102 -30.444 7.314 1.309 1.00 0.00 H new ATOM 1483 N GLY A 103 -28.024 8.193 -1.933 1.00 0.00 N ATOM 1484 CA GLY A 103 -28.184 9.271 -2.891 1.00 0.00 C ATOM 1485 C GLY A 103 -29.578 9.865 -2.869 1.00 0.00 C ATOM 1486 O GLY A 103 -30.561 9.168 -3.118 1.00 0.00 O ATOM 0 H GLY A 103 -28.359 7.284 -2.251 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -27.456 10.053 -2.678 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -27.967 8.898 -3.892 1.00 0.00 H new TER 1490 GLY A 103