USER MOD reduce.3.24.130724 H: found=0, std=0, add=741, rem=0, adj=32 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 43 ASN : amide:sc= -1.28 K(o=-1.1,f=-2.4!) USER MOD Set 2.2: A 45 THR OG1 : rot -30:sc= 0.188! USER MOD Set 3.1: A 29 CYS SG : rot -97:sc= 0.243 USER MOD Set 3.2: A 79 CYS SG : rot 176:sc= 0.929 USER MOD Set 4.1: A 24 MET CE :methyl 170:sc= 0 (180deg=0) USER MOD Set 4.2: A 65 ASN : amide:sc= -3.5! C(o=-3.5!,f=-9.2!) USER MOD Single : A 1 GLY N :NH3+ 175:sc= 0 (180deg=-0.013) USER MOD Single : A 2 SER OG : rot 33:sc= 0.346 USER MOD Single : A 3 SER OG : rot -130:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= -0.448 K(o=-0.45,f=-1.5) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 130:sc= 0 USER MOD Single : A 34 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot -114:sc= 1.23 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 USER MOD Single : A 49 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 51 SER OG : rot 74:sc= -5.85! USER MOD Single : A 53 HIS : no HD1:sc= -0.792 K(o=-0.79,f=-4.7!) USER MOD Single : A 57 SER OG : rot 180:sc= -0.943 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 THR OG1 : rot 105:sc= 0.346 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 HIS :FLIP no HD1:sc= -6.8! C(o=-7.4!,f=-6.8!) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 102:sc= -0.224 USER MOD Single : A 77 TYR OH : rot -25:sc= 0.677 USER MOD Single : A 80 MET CE :methyl 157:sc= -3.61! (180deg=-4.1!) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 ASN : amide:sc= -4.38! C(o=-4.4!,f=-9.9!) USER MOD Single : A 87 ASN : amide:sc= -2.31! C(o=-2.3!,f=-6.2!) USER MOD Single : A 88 SER OG : rot -70:sc= 0 USER MOD Single : A 89 ASN : amide:sc= -4.51! C(o=-4.5!,f=-6.7!) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc= -0.982 K(o=-0.98,f=-4.7!) 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 16.887 10.125 2.786 1.00 0.00 N ATOM 2 CA GLY A 1 15.831 9.226 3.216 1.00 0.00 C ATOM 3 C GLY A 1 15.376 8.296 2.109 1.00 0.00 C ATOM 4 O GLY A 1 14.178 8.080 1.924 1.00 0.00 O ATOM 0 H1 GLY A 1 17.105 10.796 3.550 1.00 0.00 H new ATOM 0 H2 GLY A 1 17.739 9.575 2.555 1.00 0.00 H new ATOM 0 H3 GLY A 1 16.575 10.649 1.944 1.00 0.00 H new ATOM 0 HA2 GLY A 1 16.183 8.635 4.061 1.00 0.00 H new ATOM 0 HA3 GLY A 1 14.981 9.811 3.568 1.00 0.00 H new ATOM 8 N SER A 2 16.333 7.745 1.370 1.00 0.00 N ATOM 9 CA SER A 2 16.024 6.837 0.271 1.00 0.00 C ATOM 10 C SER A 2 17.157 5.839 0.056 1.00 0.00 C ATOM 11 O SER A 2 18.289 6.223 -0.240 1.00 0.00 O ATOM 12 CB SER A 2 15.772 7.626 -1.015 1.00 0.00 C ATOM 13 OG SER A 2 16.905 8.401 -1.367 1.00 0.00 O ATOM 0 H SER A 2 17.329 7.911 1.512 1.00 0.00 H new ATOM 0 HA SER A 2 15.122 6.284 0.532 1.00 0.00 H new ATOM 0 HB2 SER A 2 15.531 6.939 -1.826 1.00 0.00 H new ATOM 0 HB3 SER A 2 14.908 8.278 -0.882 1.00 0.00 H new ATOM 0 HG SER A 2 17.720 7.933 -1.089 1.00 0.00 H new ATOM 19 N SER A 3 16.844 4.556 0.206 1.00 0.00 N ATOM 20 CA SER A 3 17.837 3.502 0.033 1.00 0.00 C ATOM 21 C SER A 3 18.026 3.173 -1.445 1.00 0.00 C ATOM 22 O SER A 3 17.164 3.462 -2.273 1.00 0.00 O ATOM 23 CB SER A 3 17.415 2.245 0.796 1.00 0.00 C ATOM 24 OG SER A 3 16.169 1.757 0.329 1.00 0.00 O ATOM 0 H SER A 3 15.911 4.221 0.447 1.00 0.00 H new ATOM 0 HA SER A 3 18.786 3.860 0.433 1.00 0.00 H new ATOM 0 HB2 SER A 3 18.177 1.474 0.682 1.00 0.00 H new ATOM 0 HB3 SER A 3 17.345 2.469 1.861 1.00 0.00 H new ATOM 0 HG SER A 3 15.573 1.600 1.091 1.00 0.00 H new ATOM 30 N GLY A 4 19.164 2.566 -1.769 1.00 0.00 N ATOM 31 CA GLY A 4 19.449 2.207 -3.146 1.00 0.00 C ATOM 32 C GLY A 4 19.925 3.389 -3.966 1.00 0.00 C ATOM 33 O GLY A 4 19.187 4.355 -4.162 1.00 0.00 O ATOM 0 H GLY A 4 19.894 2.316 -1.102 1.00 0.00 H new ATOM 0 HA2 GLY A 4 20.209 1.426 -3.165 1.00 0.00 H new ATOM 0 HA3 GLY A 4 18.552 1.790 -3.603 1.00 0.00 H new ATOM 37 N SER A 5 21.162 3.315 -4.447 1.00 0.00 N ATOM 38 CA SER A 5 21.738 4.390 -5.246 1.00 0.00 C ATOM 39 C SER A 5 20.831 4.737 -6.423 1.00 0.00 C ATOM 40 O SER A 5 20.208 3.860 -7.021 1.00 0.00 O ATOM 41 CB SER A 5 23.123 3.989 -5.755 1.00 0.00 C ATOM 42 OG SER A 5 24.116 4.228 -4.773 1.00 0.00 O ATOM 0 H SER A 5 21.785 2.521 -4.297 1.00 0.00 H new ATOM 0 HA SER A 5 21.833 5.271 -4.611 1.00 0.00 H new ATOM 0 HB2 SER A 5 23.122 2.933 -6.027 1.00 0.00 H new ATOM 0 HB3 SER A 5 23.358 4.551 -6.659 1.00 0.00 H new ATOM 0 HG SER A 5 24.992 3.962 -5.122 1.00 0.00 H new ATOM 48 N SER A 6 20.763 6.024 -6.750 1.00 0.00 N ATOM 49 CA SER A 6 19.930 6.489 -7.853 1.00 0.00 C ATOM 50 C SER A 6 18.523 5.907 -7.754 1.00 0.00 C ATOM 51 O SER A 6 17.933 5.506 -8.756 1.00 0.00 O ATOM 52 CB SER A 6 20.560 6.104 -9.193 1.00 0.00 C ATOM 53 OG SER A 6 21.559 7.034 -9.573 1.00 0.00 O ATOM 0 H SER A 6 21.274 6.763 -6.267 1.00 0.00 H new ATOM 0 HA SER A 6 19.861 7.575 -7.791 1.00 0.00 H new ATOM 0 HB2 SER A 6 20.995 5.107 -9.121 1.00 0.00 H new ATOM 0 HB3 SER A 6 19.789 6.060 -9.962 1.00 0.00 H new ATOM 0 HG SER A 6 21.947 6.765 -10.432 1.00 0.00 H new ATOM 59 N GLY A 7 17.991 5.866 -6.536 1.00 0.00 N ATOM 60 CA GLY A 7 16.657 5.333 -6.327 1.00 0.00 C ATOM 61 C GLY A 7 16.675 3.880 -5.895 1.00 0.00 C ATOM 62 O GLY A 7 17.534 3.099 -6.304 1.00 0.00 O ATOM 0 H GLY A 7 18.460 6.192 -5.691 1.00 0.00 H new ATOM 0 HA2 GLY A 7 16.146 5.928 -5.570 1.00 0.00 H new ATOM 0 HA3 GLY A 7 16.083 5.428 -7.248 1.00 0.00 H new ATOM 66 N PRO A 8 15.709 3.499 -5.045 1.00 0.00 N ATOM 67 CA PRO A 8 15.597 2.129 -4.537 1.00 0.00 C ATOM 68 C PRO A 8 15.170 1.143 -5.619 1.00 0.00 C ATOM 69 O PRO A 8 15.144 1.478 -6.804 1.00 0.00 O ATOM 70 CB PRO A 8 14.518 2.238 -3.457 1.00 0.00 C ATOM 71 CG PRO A 8 13.700 3.418 -3.857 1.00 0.00 C ATOM 72 CD PRO A 8 14.653 4.378 -4.516 1.00 0.00 C ATOM 0 HA PRO A 8 16.551 1.752 -4.169 1.00 0.00 H new ATOM 0 HB2 PRO A 8 13.912 1.333 -3.410 1.00 0.00 H new ATOM 0 HB3 PRO A 8 14.959 2.378 -2.470 1.00 0.00 H new ATOM 0 HG2 PRO A 8 12.904 3.127 -4.542 1.00 0.00 H new ATOM 0 HG3 PRO A 8 13.223 3.875 -2.990 1.00 0.00 H new ATOM 0 HD2 PRO A 8 14.167 4.946 -5.310 1.00 0.00 H new ATOM 0 HD3 PRO A 8 15.051 5.102 -3.805 1.00 0.00 H new ATOM 80 N PHE A 9 14.834 -0.074 -5.205 1.00 0.00 N ATOM 81 CA PHE A 9 14.408 -1.110 -6.139 1.00 0.00 C ATOM 82 C PHE A 9 12.997 -0.834 -6.649 1.00 0.00 C ATOM 83 O PHE A 9 12.668 -1.146 -7.795 1.00 0.00 O ATOM 84 CB PHE A 9 14.462 -2.484 -5.470 1.00 0.00 C ATOM 85 CG PHE A 9 15.859 -2.998 -5.267 1.00 0.00 C ATOM 86 CD1 PHE A 9 16.737 -2.340 -4.421 1.00 0.00 C ATOM 87 CD2 PHE A 9 16.293 -4.140 -5.921 1.00 0.00 C ATOM 88 CE1 PHE A 9 18.023 -2.810 -4.234 1.00 0.00 C ATOM 89 CE2 PHE A 9 17.578 -4.615 -5.737 1.00 0.00 C ATOM 90 CZ PHE A 9 18.443 -3.950 -4.891 1.00 0.00 C ATOM 0 H PHE A 9 14.848 -0.367 -4.228 1.00 0.00 H new ATOM 0 HA PHE A 9 15.091 -1.102 -6.989 1.00 0.00 H new ATOM 0 HB2 PHE A 9 13.960 -2.429 -4.504 1.00 0.00 H new ATOM 0 HB3 PHE A 9 13.906 -3.197 -6.078 1.00 0.00 H new ATOM 0 HD1 PHE A 9 16.413 -1.450 -3.902 1.00 0.00 H new ATOM 0 HD2 PHE A 9 15.619 -4.665 -6.582 1.00 0.00 H new ATOM 0 HE1 PHE A 9 18.699 -2.286 -3.575 1.00 0.00 H new ATOM 0 HE2 PHE A 9 17.905 -5.505 -6.254 1.00 0.00 H new ATOM 0 HZ PHE A 9 19.447 -4.321 -4.743 1.00 0.00 H new ATOM 100 N ILE A 10 12.167 -0.250 -5.791 1.00 0.00 N ATOM 101 CA ILE A 10 10.792 0.067 -6.155 1.00 0.00 C ATOM 102 C ILE A 10 10.744 1.022 -7.342 1.00 0.00 C ATOM 103 O ILE A 10 11.016 2.215 -7.205 1.00 0.00 O ATOM 104 CB ILE A 10 10.029 0.695 -4.974 1.00 0.00 C ATOM 105 CG1 ILE A 10 9.950 -0.291 -3.807 1.00 0.00 C ATOM 106 CG2 ILE A 10 8.635 1.121 -5.410 1.00 0.00 C ATOM 107 CD1 ILE A 10 9.869 0.380 -2.453 1.00 0.00 C ATOM 0 H ILE A 10 12.423 0.013 -4.839 1.00 0.00 H new ATOM 0 HA ILE A 10 10.313 -0.873 -6.429 1.00 0.00 H new ATOM 0 HB ILE A 10 10.571 1.580 -4.641 1.00 0.00 H new ATOM 0 HG12 ILE A 10 9.077 -0.929 -3.940 1.00 0.00 H new ATOM 0 HG13 ILE A 10 10.826 -0.940 -3.830 1.00 0.00 H new ATOM 0 HG21 ILE A 10 8.108 1.563 -4.564 1.00 0.00 H new ATOM 0 HG22 ILE A 10 8.713 1.855 -6.212 1.00 0.00 H new ATOM 0 HG23 ILE A 10 8.083 0.251 -5.766 1.00 0.00 H new ATOM 0 HD11 ILE A 10 9.816 -0.380 -1.673 1.00 0.00 H new ATOM 0 HD12 ILE A 10 10.755 0.997 -2.299 1.00 0.00 H new ATOM 0 HD13 ILE A 10 8.978 1.007 -2.410 1.00 0.00 H new ATOM 119 N MET A 11 10.393 0.490 -8.509 1.00 0.00 N ATOM 120 CA MET A 11 10.306 1.296 -9.721 1.00 0.00 C ATOM 121 C MET A 11 9.404 2.508 -9.504 1.00 0.00 C ATOM 122 O MET A 11 9.716 3.613 -9.949 1.00 0.00 O ATOM 123 CB MET A 11 9.776 0.454 -10.882 1.00 0.00 C ATOM 124 CG MET A 11 10.656 -0.740 -11.218 1.00 0.00 C ATOM 125 SD MET A 11 10.501 -1.255 -12.939 1.00 0.00 S ATOM 126 CE MET A 11 12.028 -2.165 -13.159 1.00 0.00 C ATOM 0 H MET A 11 10.164 -0.495 -8.640 1.00 0.00 H new ATOM 0 HA MET A 11 11.308 1.649 -9.965 1.00 0.00 H new ATOM 0 HB2 MET A 11 8.775 0.099 -10.636 1.00 0.00 H new ATOM 0 HB3 MET A 11 9.682 1.086 -11.765 1.00 0.00 H new ATOM 0 HG2 MET A 11 11.696 -0.490 -11.010 1.00 0.00 H new ATOM 0 HG3 MET A 11 10.393 -1.575 -10.568 1.00 0.00 H new ATOM 0 HE1 MET A 11 12.080 -2.548 -14.178 1.00 0.00 H new ATOM 0 HE2 MET A 11 12.875 -1.504 -12.977 1.00 0.00 H new ATOM 0 HE3 MET A 11 12.060 -2.998 -12.456 1.00 0.00 H new ATOM 136 N ASP A 12 8.287 2.293 -8.818 1.00 0.00 N ATOM 137 CA ASP A 12 7.341 3.368 -8.542 1.00 0.00 C ATOM 138 C ASP A 12 6.975 3.403 -7.061 1.00 0.00 C ATOM 139 O ASP A 12 6.463 2.427 -6.515 1.00 0.00 O ATOM 140 CB ASP A 12 6.078 3.194 -9.388 1.00 0.00 C ATOM 141 CG ASP A 12 5.421 4.518 -9.725 1.00 0.00 C ATOM 142 OD1 ASP A 12 4.630 5.016 -8.897 1.00 0.00 O ATOM 143 OD2 ASP A 12 5.697 5.057 -10.818 1.00 0.00 O ATOM 0 H ASP A 12 8.014 1.384 -8.443 1.00 0.00 H new ATOM 0 HA ASP A 12 7.817 4.313 -8.803 1.00 0.00 H new ATOM 0 HB2 ASP A 12 6.331 2.672 -10.311 1.00 0.00 H new ATOM 0 HB3 ASP A 12 5.368 2.565 -8.851 1.00 0.00 H new ATOM 148 N ALA A 13 7.244 4.534 -6.418 1.00 0.00 N ATOM 149 CA ALA A 13 6.943 4.697 -5.001 1.00 0.00 C ATOM 150 C ALA A 13 5.549 5.281 -4.800 1.00 0.00 C ATOM 151 O ALA A 13 5.089 6.130 -5.564 1.00 0.00 O ATOM 152 CB ALA A 13 7.988 5.580 -4.337 1.00 0.00 C ATOM 0 H ALA A 13 7.670 5.351 -6.856 1.00 0.00 H new ATOM 0 HA ALA A 13 6.967 3.712 -4.534 1.00 0.00 H new ATOM 0 HB1 ALA A 13 7.750 5.693 -3.279 1.00 0.00 H new ATOM 0 HB2 ALA A 13 8.971 5.121 -4.441 1.00 0.00 H new ATOM 0 HB3 ALA A 13 7.993 6.560 -4.814 1.00 0.00 H new ATOM 158 N PRO A 14 4.858 4.818 -3.747 1.00 0.00 N ATOM 159 CA PRO A 14 3.506 5.282 -3.421 1.00 0.00 C ATOM 160 C PRO A 14 3.492 6.722 -2.921 1.00 0.00 C ATOM 161 O PRO A 14 4.492 7.218 -2.401 1.00 0.00 O ATOM 162 CB PRO A 14 3.061 4.326 -2.312 1.00 0.00 C ATOM 163 CG PRO A 14 4.328 3.855 -1.686 1.00 0.00 C ATOM 164 CD PRO A 14 5.344 3.806 -2.794 1.00 0.00 C ATOM 0 HA PRO A 14 2.852 5.278 -4.293 1.00 0.00 H new ATOM 0 HB2 PRO A 14 2.425 4.831 -1.586 1.00 0.00 H new ATOM 0 HB3 PRO A 14 2.485 3.493 -2.715 1.00 0.00 H new ATOM 0 HG2 PRO A 14 4.647 4.532 -0.894 1.00 0.00 H new ATOM 0 HG3 PRO A 14 4.198 2.872 -1.232 1.00 0.00 H new ATOM 0 HD2 PRO A 14 6.345 4.042 -2.432 1.00 0.00 H new ATOM 0 HD3 PRO A 14 5.395 2.817 -3.249 1.00 0.00 H new ATOM 172 N ARG A 15 2.353 7.388 -3.080 1.00 0.00 N ATOM 173 CA ARG A 15 2.210 8.772 -2.645 1.00 0.00 C ATOM 174 C ARG A 15 0.888 8.977 -1.911 1.00 0.00 C ATOM 175 O ARG A 15 -0.117 8.342 -2.232 1.00 0.00 O ATOM 176 CB ARG A 15 2.292 9.718 -3.845 1.00 0.00 C ATOM 177 CG ARG A 15 2.492 11.174 -3.460 1.00 0.00 C ATOM 178 CD ARG A 15 2.091 12.110 -4.590 1.00 0.00 C ATOM 179 NE ARG A 15 3.207 12.390 -5.490 1.00 0.00 N ATOM 180 CZ ARG A 15 4.257 13.129 -5.151 1.00 0.00 C ATOM 181 NH1 ARG A 15 4.335 13.659 -3.938 1.00 0.00 N ATOM 182 NH2 ARG A 15 5.232 13.340 -6.025 1.00 0.00 N ATOM 0 H ARG A 15 1.516 6.991 -3.507 1.00 0.00 H new ATOM 0 HA ARG A 15 3.026 8.997 -1.958 1.00 0.00 H new ATOM 0 HB2 ARG A 15 3.114 9.405 -4.488 1.00 0.00 H new ATOM 0 HB3 ARG A 15 1.377 9.628 -4.431 1.00 0.00 H new ATOM 0 HG2 ARG A 15 1.902 11.401 -2.572 1.00 0.00 H new ATOM 0 HG3 ARG A 15 3.537 11.342 -3.200 1.00 0.00 H new ATOM 0 HD2 ARG A 15 1.272 11.666 -5.155 1.00 0.00 H new ATOM 0 HD3 ARG A 15 1.719 13.045 -4.172 1.00 0.00 H new ATOM 0 HE ARG A 15 3.178 11.996 -6.431 1.00 0.00 H new ATOM 0 HH11 ARG A 15 3.587 13.499 -3.263 1.00 0.00 H new ATOM 0 HH12 ARG A 15 5.143 14.226 -3.680 1.00 0.00 H new ATOM 0 HH21 ARG A 15 5.176 12.934 -6.959 1.00 0.00 H new ATOM 0 HH22 ARG A 15 6.038 13.908 -5.763 1.00 0.00 H new ATOM 196 N ASP A 16 0.897 9.868 -0.925 1.00 0.00 N ATOM 197 CA ASP A 16 -0.302 10.157 -0.146 1.00 0.00 C ATOM 198 C ASP A 16 -1.539 10.178 -1.039 1.00 0.00 C ATOM 199 O ASP A 16 -1.546 10.815 -2.094 1.00 0.00 O ATOM 200 CB ASP A 16 -0.155 11.498 0.575 1.00 0.00 C ATOM 201 CG ASP A 16 1.222 11.682 1.180 1.00 0.00 C ATOM 202 OD1 ASP A 16 1.793 10.686 1.670 1.00 0.00 O ATOM 203 OD2 ASP A 16 1.729 12.824 1.165 1.00 0.00 O ATOM 0 H ASP A 16 1.720 10.402 -0.647 1.00 0.00 H new ATOM 0 HA ASP A 16 -0.425 9.366 0.594 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -0.351 12.308 -0.127 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -0.907 11.569 1.361 1.00 0.00 H new ATOM 208 N LEU A 17 -2.583 9.477 -0.611 1.00 0.00 N ATOM 209 CA LEU A 17 -3.826 9.414 -1.372 1.00 0.00 C ATOM 210 C LEU A 17 -5.013 9.835 -0.512 1.00 0.00 C ATOM 211 O LEU A 17 -5.107 9.465 0.658 1.00 0.00 O ATOM 212 CB LEU A 17 -4.047 7.999 -1.908 1.00 0.00 C ATOM 213 CG LEU A 17 -5.414 7.725 -2.536 1.00 0.00 C ATOM 214 CD1 LEU A 17 -5.545 8.447 -3.868 1.00 0.00 C ATOM 215 CD2 LEU A 17 -5.629 6.229 -2.715 1.00 0.00 C ATOM 0 H LEU A 17 -2.594 8.944 0.259 1.00 0.00 H new ATOM 0 HA LEU A 17 -3.745 10.106 -2.211 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -3.279 7.790 -2.653 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.898 7.295 -1.090 1.00 0.00 H new ATOM 0 HG LEU A 17 -6.183 8.105 -1.863 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -6.524 8.240 -4.299 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -5.437 9.520 -3.712 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -4.768 8.099 -4.548 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -6.607 6.053 -3.163 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -4.854 5.825 -3.366 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -5.581 5.736 -1.744 1.00 0.00 H new ATOM 227 N ASN A 18 -5.918 10.611 -1.100 1.00 0.00 N ATOM 228 CA ASN A 18 -7.100 11.081 -0.388 1.00 0.00 C ATOM 229 C ASN A 18 -8.364 10.436 -0.947 1.00 0.00 C ATOM 230 O ASN A 18 -8.784 10.734 -2.065 1.00 0.00 O ATOM 231 CB ASN A 18 -7.207 12.605 -0.484 1.00 0.00 C ATOM 232 CG ASN A 18 -7.283 13.089 -1.919 1.00 0.00 C ATOM 233 OD1 ASN A 18 -6.298 13.037 -2.657 1.00 0.00 O ATOM 234 ND2 ASN A 18 -8.455 13.565 -2.322 1.00 0.00 N ATOM 0 H ASN A 18 -5.855 10.927 -2.068 1.00 0.00 H new ATOM 0 HA ASN A 18 -7.000 10.795 0.659 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -8.092 12.939 0.057 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -6.345 13.059 0.005 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -8.566 13.906 -3.277 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -9.245 13.589 -1.677 1.00 0.00 H new ATOM 241 N ILE A 19 -8.967 9.550 -0.160 1.00 0.00 N ATOM 242 CA ILE A 19 -10.184 8.864 -0.575 1.00 0.00 C ATOM 243 C ILE A 19 -11.242 8.908 0.522 1.00 0.00 C ATOM 244 O ILE A 19 -10.920 9.027 1.704 1.00 0.00 O ATOM 245 CB ILE A 19 -9.904 7.396 -0.945 1.00 0.00 C ATOM 246 CG1 ILE A 19 -11.200 6.696 -1.361 1.00 0.00 C ATOM 247 CG2 ILE A 19 -9.256 6.670 0.225 1.00 0.00 C ATOM 248 CD1 ILE A 19 -10.975 5.463 -2.208 1.00 0.00 C ATOM 0 H ILE A 19 -8.632 9.291 0.768 1.00 0.00 H new ATOM 0 HA ILE A 19 -10.556 9.387 -1.456 1.00 0.00 H new ATOM 0 HB ILE A 19 -9.214 7.374 -1.789 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -11.756 6.416 -0.466 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -11.822 7.399 -1.915 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -9.064 5.633 -0.051 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -8.315 7.158 0.480 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -9.924 6.698 1.086 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -11.936 5.018 -2.466 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -10.447 5.740 -3.120 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -10.380 4.741 -1.649 1.00 0.00 H new ATOM 260 N SER A 20 -12.506 8.809 0.123 1.00 0.00 N ATOM 261 CA SER A 20 -13.612 8.840 1.072 1.00 0.00 C ATOM 262 C SER A 20 -13.858 7.455 1.664 1.00 0.00 C ATOM 263 O SER A 20 -13.308 6.461 1.192 1.00 0.00 O ATOM 264 CB SER A 20 -14.883 9.349 0.390 1.00 0.00 C ATOM 265 OG SER A 20 -14.667 10.612 -0.215 1.00 0.00 O ATOM 0 H SER A 20 -12.789 8.707 -0.851 1.00 0.00 H new ATOM 0 HA SER A 20 -13.346 9.520 1.881 1.00 0.00 H new ATOM 0 HB2 SER A 20 -15.207 8.632 -0.364 1.00 0.00 H new ATOM 0 HB3 SER A 20 -15.687 9.426 1.122 1.00 0.00 H new ATOM 0 HG SER A 20 -15.494 10.914 -0.645 1.00 0.00 H new ATOM 271 N GLU A 21 -14.689 7.400 2.700 1.00 0.00 N ATOM 272 CA GLU A 21 -15.008 6.138 3.357 1.00 0.00 C ATOM 273 C GLU A 21 -15.951 5.301 2.498 1.00 0.00 C ATOM 274 O GLU A 21 -16.959 5.798 1.998 1.00 0.00 O ATOM 275 CB GLU A 21 -15.641 6.396 4.726 1.00 0.00 C ATOM 276 CG GLU A 21 -16.250 5.155 5.358 1.00 0.00 C ATOM 277 CD GLU A 21 -17.276 5.488 6.424 1.00 0.00 C ATOM 278 OE1 GLU A 21 -17.196 6.592 7.001 1.00 0.00 O ATOM 279 OE2 GLU A 21 -18.158 4.642 6.681 1.00 0.00 O ATOM 0 H GLU A 21 -15.153 8.214 3.102 1.00 0.00 H new ATOM 0 HA GLU A 21 -14.079 5.583 3.493 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -14.883 6.801 5.397 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -16.414 7.157 4.622 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -16.720 4.550 4.583 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -15.458 4.549 5.798 1.00 0.00 H new ATOM 286 N GLY A 22 -15.614 4.025 2.331 1.00 0.00 N ATOM 287 CA GLY A 22 -16.440 3.139 1.532 1.00 0.00 C ATOM 288 C GLY A 22 -16.133 3.238 0.051 1.00 0.00 C ATOM 289 O GLY A 22 -17.032 3.142 -0.784 1.00 0.00 O ATOM 0 H GLY A 22 -14.784 3.590 2.735 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -16.290 2.111 1.863 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -17.490 3.378 1.699 1.00 0.00 H new ATOM 293 N ARG A 23 -14.859 3.433 -0.276 1.00 0.00 N ATOM 294 CA ARG A 23 -14.436 3.549 -1.666 1.00 0.00 C ATOM 295 C ARG A 23 -13.221 2.668 -1.940 1.00 0.00 C ATOM 296 O ARG A 23 -12.579 2.174 -1.014 1.00 0.00 O ATOM 297 CB ARG A 23 -14.110 5.005 -2.003 1.00 0.00 C ATOM 298 CG ARG A 23 -15.299 5.942 -1.869 1.00 0.00 C ATOM 299 CD ARG A 23 -15.180 7.131 -2.809 1.00 0.00 C ATOM 300 NE ARG A 23 -16.467 7.784 -3.032 1.00 0.00 N ATOM 301 CZ ARG A 23 -17.442 7.257 -3.765 1.00 0.00 C ATOM 302 NH1 ARG A 23 -17.276 6.075 -4.342 1.00 0.00 N ATOM 303 NH2 ARG A 23 -18.585 7.912 -3.921 1.00 0.00 N ATOM 0 H ARG A 23 -14.102 3.514 0.403 1.00 0.00 H new ATOM 0 HA ARG A 23 -15.257 3.212 -2.298 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -13.310 5.350 -1.348 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -13.731 5.057 -3.024 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -16.219 5.398 -2.084 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -15.371 6.296 -0.840 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -14.475 7.852 -2.394 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -14.772 6.799 -3.764 1.00 0.00 H new ATOM 0 HE ARG A 23 -16.626 8.695 -2.601 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -16.399 5.568 -4.224 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -18.026 5.672 -4.904 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -18.716 8.821 -3.478 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -19.333 7.506 -4.484 1.00 0.00 H new ATOM 317 N MET A 24 -12.912 2.476 -3.218 1.00 0.00 N ATOM 318 CA MET A 24 -11.773 1.655 -3.614 1.00 0.00 C ATOM 319 C MET A 24 -10.515 2.504 -3.757 1.00 0.00 C ATOM 320 O MET A 24 -10.500 3.489 -4.495 1.00 0.00 O ATOM 321 CB MET A 24 -12.070 0.935 -4.931 1.00 0.00 C ATOM 322 CG MET A 24 -11.361 -0.404 -5.064 1.00 0.00 C ATOM 323 SD MET A 24 -12.155 -1.494 -6.261 1.00 0.00 S ATOM 324 CE MET A 24 -11.314 -3.038 -5.923 1.00 0.00 C ATOM 0 H MET A 24 -13.434 2.877 -3.997 1.00 0.00 H new ATOM 0 HA MET A 24 -11.602 0.913 -2.834 1.00 0.00 H new ATOM 0 HB2 MET A 24 -13.145 0.778 -5.015 1.00 0.00 H new ATOM 0 HB3 MET A 24 -11.776 1.577 -5.761 1.00 0.00 H new ATOM 0 HG2 MET A 24 -10.326 -0.235 -5.363 1.00 0.00 H new ATOM 0 HG3 MET A 24 -11.336 -0.896 -4.091 1.00 0.00 H new ATOM 0 HE1 MET A 24 -11.813 -3.848 -6.455 1.00 0.00 H new ATOM 0 HE2 MET A 24 -10.279 -2.969 -6.256 1.00 0.00 H new ATOM 0 HE3 MET A 24 -11.338 -3.238 -4.852 1.00 0.00 H new ATOM 334 N ALA A 25 -9.460 2.117 -3.047 1.00 0.00 N ATOM 335 CA ALA A 25 -8.197 2.842 -3.097 1.00 0.00 C ATOM 336 C ALA A 25 -7.064 1.939 -3.574 1.00 0.00 C ATOM 337 O ALA A 25 -7.237 0.727 -3.702 1.00 0.00 O ATOM 338 CB ALA A 25 -7.869 3.427 -1.732 1.00 0.00 C ATOM 0 H ALA A 25 -9.456 1.305 -2.430 1.00 0.00 H new ATOM 0 HA ALA A 25 -8.303 3.657 -3.813 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -6.923 3.966 -1.785 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -8.661 4.113 -1.430 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -7.788 2.622 -1.001 1.00 0.00 H new ATOM 344 N GLU A 26 -5.906 2.537 -3.835 1.00 0.00 N ATOM 345 CA GLU A 26 -4.746 1.786 -4.299 1.00 0.00 C ATOM 346 C GLU A 26 -3.457 2.559 -4.038 1.00 0.00 C ATOM 347 O GLU A 26 -3.416 3.783 -4.168 1.00 0.00 O ATOM 348 CB GLU A 26 -4.874 1.477 -5.793 1.00 0.00 C ATOM 349 CG GLU A 26 -5.974 0.479 -6.116 1.00 0.00 C ATOM 350 CD GLU A 26 -5.906 -0.021 -7.546 1.00 0.00 C ATOM 351 OE1 GLU A 26 -5.427 0.735 -8.417 1.00 0.00 O ATOM 352 OE2 GLU A 26 -6.332 -1.169 -7.793 1.00 0.00 O ATOM 0 H GLU A 26 -5.746 3.539 -3.733 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.707 0.849 -3.743 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -5.067 2.405 -6.332 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -3.923 1.088 -6.158 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -5.902 -0.369 -5.435 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -6.944 0.945 -5.944 1.00 0.00 H new ATOM 359 N LEU A 27 -2.406 1.836 -3.667 1.00 0.00 N ATOM 360 CA LEU A 27 -1.114 2.452 -3.386 1.00 0.00 C ATOM 361 C LEU A 27 -0.115 2.157 -4.500 1.00 0.00 C ATOM 362 O LEU A 27 0.337 1.023 -4.659 1.00 0.00 O ATOM 363 CB LEU A 27 -0.567 1.949 -2.049 1.00 0.00 C ATOM 364 CG LEU A 27 -1.071 2.676 -0.801 1.00 0.00 C ATOM 365 CD1 LEU A 27 -1.100 1.732 0.391 1.00 0.00 C ATOM 366 CD2 LEU A 27 -0.203 3.889 -0.502 1.00 0.00 C ATOM 0 H LEU A 27 -2.423 0.822 -3.554 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.259 3.531 -3.330 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -0.813 0.891 -1.953 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.520 2.022 -2.073 1.00 0.00 H new ATOM 0 HG LEU A 27 -2.088 3.021 -0.991 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -1.461 2.266 1.270 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -1.765 0.895 0.176 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -0.095 1.357 0.582 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -0.577 4.393 0.389 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.825 3.568 -0.333 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -0.234 4.576 -1.348 1.00 0.00 H new ATOM 378 N LYS A 28 0.227 3.185 -5.269 1.00 0.00 N ATOM 379 CA LYS A 28 1.175 3.038 -6.367 1.00 0.00 C ATOM 380 C LYS A 28 2.487 2.434 -5.876 1.00 0.00 C ATOM 381 O LYS A 28 3.250 3.084 -5.161 1.00 0.00 O ATOM 382 CB LYS A 28 1.439 4.394 -7.024 1.00 0.00 C ATOM 383 CG LYS A 28 0.239 4.955 -7.767 1.00 0.00 C ATOM 384 CD LYS A 28 0.160 4.418 -9.186 1.00 0.00 C ATOM 385 CE LYS A 28 1.258 4.998 -10.064 1.00 0.00 C ATOM 386 NZ LYS A 28 0.932 4.878 -11.512 1.00 0.00 N ATOM 0 H LYS A 28 -0.139 4.130 -5.152 1.00 0.00 H new ATOM 0 HA LYS A 28 0.739 2.363 -7.103 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.746 5.106 -6.258 1.00 0.00 H new ATOM 0 HB3 LYS A 28 2.272 4.295 -7.720 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -0.674 4.700 -7.229 1.00 0.00 H new ATOM 0 HG3 LYS A 28 0.301 6.043 -7.792 1.00 0.00 H new ATOM 0 HD2 LYS A 28 0.242 3.331 -9.170 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -0.814 4.658 -9.613 1.00 0.00 H new ATOM 0 HE2 LYS A 28 1.408 6.048 -9.811 1.00 0.00 H new ATOM 0 HE3 LYS A 28 2.197 4.483 -9.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 1.705 5.285 -12.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 0.813 3.875 -11.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 0.050 5.391 -11.713 1.00 0.00 H new ATOM 400 N CYS A 29 2.742 1.190 -6.265 1.00 0.00 N ATOM 401 CA CYS A 29 3.963 0.499 -5.865 1.00 0.00 C ATOM 402 C CYS A 29 4.347 -0.563 -6.889 1.00 0.00 C ATOM 403 O CYS A 29 3.533 -1.411 -7.254 1.00 0.00 O ATOM 404 CB CYS A 29 3.782 -0.143 -4.489 1.00 0.00 C ATOM 405 SG CYS A 29 4.989 -1.436 -4.113 1.00 0.00 S ATOM 0 H CYS A 29 2.120 0.639 -6.857 1.00 0.00 H new ATOM 0 HA CYS A 29 4.767 1.233 -5.812 1.00 0.00 H new ATOM 0 HB2 CYS A 29 3.847 0.633 -3.726 1.00 0.00 H new ATOM 0 HB3 CYS A 29 2.780 -0.567 -4.427 1.00 0.00 H new ATOM 0 HG CYS A 29 4.471 -2.601 -4.368 1.00 0.00 H new ATOM 411 N ARG A 30 5.592 -0.510 -7.350 1.00 0.00 N ATOM 412 CA ARG A 30 6.084 -1.466 -8.335 1.00 0.00 C ATOM 413 C ARG A 30 7.375 -2.124 -7.857 1.00 0.00 C ATOM 414 O ARG A 30 8.349 -1.444 -7.534 1.00 0.00 O ATOM 415 CB ARG A 30 6.320 -0.771 -9.678 1.00 0.00 C ATOM 416 CG ARG A 30 5.073 -0.677 -10.542 1.00 0.00 C ATOM 417 CD ARG A 30 4.219 0.521 -10.158 1.00 0.00 C ATOM 418 NE ARG A 30 2.967 0.564 -10.910 1.00 0.00 N ATOM 419 CZ ARG A 30 2.853 1.105 -12.118 1.00 0.00 C ATOM 420 NH1 ARG A 30 3.910 1.646 -12.708 1.00 0.00 N ATOM 421 NH2 ARG A 30 1.680 1.106 -12.738 1.00 0.00 N ATOM 0 H ARG A 30 6.279 0.185 -7.057 1.00 0.00 H new ATOM 0 HA ARG A 30 5.327 -2.240 -8.462 1.00 0.00 H new ATOM 0 HB2 ARG A 30 6.702 0.233 -9.496 1.00 0.00 H new ATOM 0 HB3 ARG A 30 7.092 -1.311 -10.226 1.00 0.00 H new ATOM 0 HG2 ARG A 30 5.360 -0.599 -11.591 1.00 0.00 H new ATOM 0 HG3 ARG A 30 4.488 -1.591 -10.439 1.00 0.00 H new ATOM 0 HD2 ARG A 30 4.000 0.483 -9.091 1.00 0.00 H new ATOM 0 HD3 ARG A 30 4.780 1.438 -10.336 1.00 0.00 H new ATOM 0 HE ARG A 30 2.135 0.156 -10.484 1.00 0.00 H new ATOM 0 HH11 ARG A 30 4.813 1.647 -12.234 1.00 0.00 H new ATOM 0 HH12 ARG A 30 3.820 2.061 -13.636 1.00 0.00 H new ATOM 0 HH21 ARG A 30 0.865 0.691 -12.287 1.00 0.00 H new ATOM 0 HH22 ARG A 30 1.594 1.522 -13.665 1.00 0.00 H new ATOM 435 N THR A 31 7.375 -3.453 -7.813 1.00 0.00 N ATOM 436 CA THR A 31 8.544 -4.203 -7.373 1.00 0.00 C ATOM 437 C THR A 31 8.997 -5.192 -8.441 1.00 0.00 C ATOM 438 O THR A 31 8.194 -5.725 -9.208 1.00 0.00 O ATOM 439 CB THR A 31 8.261 -4.969 -6.067 1.00 0.00 C ATOM 440 OG1 THR A 31 7.062 -5.740 -6.201 1.00 0.00 O ATOM 441 CG2 THR A 31 8.123 -4.008 -4.896 1.00 0.00 C ATOM 0 H THR A 31 6.578 -4.032 -8.077 1.00 0.00 H new ATOM 0 HA THR A 31 9.337 -3.477 -7.195 1.00 0.00 H new ATOM 0 HB THR A 31 9.101 -5.636 -5.873 1.00 0.00 H new ATOM 0 HG1 THR A 31 7.232 -6.662 -5.916 1.00 0.00 H new ATOM 0 HG21 THR A 31 7.923 -4.571 -3.985 1.00 0.00 H new ATOM 0 HG22 THR A 31 9.048 -3.443 -4.778 1.00 0.00 H new ATOM 0 HG23 THR A 31 7.299 -3.320 -5.085 1.00 0.00 H new ATOM 449 N PRO A 32 10.313 -5.445 -8.495 1.00 0.00 N ATOM 450 CA PRO A 32 10.901 -6.374 -9.464 1.00 0.00 C ATOM 451 C PRO A 32 10.534 -7.825 -9.175 1.00 0.00 C ATOM 452 O PRO A 32 9.975 -8.152 -8.127 1.00 0.00 O ATOM 453 CB PRO A 32 12.407 -6.158 -9.293 1.00 0.00 C ATOM 454 CG PRO A 32 12.561 -5.656 -7.899 1.00 0.00 C ATOM 455 CD PRO A 32 11.327 -4.846 -7.612 1.00 0.00 C ATOM 0 HA PRO A 32 10.542 -6.188 -10.476 1.00 0.00 H new ATOM 0 HB2 PRO A 32 12.960 -7.085 -9.443 1.00 0.00 H new ATOM 0 HB3 PRO A 32 12.789 -5.439 -10.017 1.00 0.00 H new ATOM 0 HG2 PRO A 32 12.658 -6.483 -7.195 1.00 0.00 H new ATOM 0 HG3 PRO A 32 13.459 -5.047 -7.801 1.00 0.00 H new ATOM 0 HD2 PRO A 32 11.037 -4.913 -6.563 1.00 0.00 H new ATOM 0 HD3 PRO A 32 11.479 -3.790 -7.833 1.00 0.00 H new ATOM 463 N PRO A 33 10.855 -8.718 -10.122 1.00 0.00 N ATOM 464 CA PRO A 33 10.569 -10.150 -9.990 1.00 0.00 C ATOM 465 C PRO A 33 11.435 -10.819 -8.929 1.00 0.00 C ATOM 466 O PRO A 33 12.548 -10.372 -8.650 1.00 0.00 O ATOM 467 CB PRO A 33 10.898 -10.707 -11.378 1.00 0.00 C ATOM 468 CG PRO A 33 11.890 -9.750 -11.944 1.00 0.00 C ATOM 469 CD PRO A 33 11.523 -8.399 -11.396 1.00 0.00 C ATOM 0 HA PRO A 33 9.542 -10.333 -9.675 1.00 0.00 H new ATOM 0 HB2 PRO A 33 11.311 -11.714 -11.313 1.00 0.00 H new ATOM 0 HB3 PRO A 33 10.006 -10.768 -12.002 1.00 0.00 H new ATOM 0 HG2 PRO A 33 12.905 -10.025 -11.657 1.00 0.00 H new ATOM 0 HG3 PRO A 33 11.856 -9.751 -13.033 1.00 0.00 H new ATOM 0 HD2 PRO A 33 12.403 -7.775 -11.243 1.00 0.00 H new ATOM 0 HD3 PRO A 33 10.862 -7.857 -12.072 1.00 0.00 H new ATOM 477 N MET A 34 10.918 -11.892 -8.340 1.00 0.00 N ATOM 478 CA MET A 34 11.647 -12.623 -7.309 1.00 0.00 C ATOM 479 C MET A 34 11.870 -11.750 -6.079 1.00 0.00 C ATOM 480 O MET A 34 12.923 -11.814 -5.444 1.00 0.00 O ATOM 481 CB MET A 34 12.990 -13.112 -7.854 1.00 0.00 C ATOM 482 CG MET A 34 12.862 -14.012 -9.072 1.00 0.00 C ATOM 483 SD MET A 34 14.231 -15.175 -9.224 1.00 0.00 S ATOM 484 CE MET A 34 13.718 -16.452 -8.077 1.00 0.00 C ATOM 0 H MET A 34 9.998 -12.275 -8.558 1.00 0.00 H new ATOM 0 HA MET A 34 11.047 -13.485 -7.016 1.00 0.00 H new ATOM 0 HB2 MET A 34 13.603 -12.249 -8.113 1.00 0.00 H new ATOM 0 HB3 MET A 34 13.517 -13.652 -7.067 1.00 0.00 H new ATOM 0 HG2 MET A 34 11.925 -14.566 -9.013 1.00 0.00 H new ATOM 0 HG3 MET A 34 12.812 -13.396 -9.970 1.00 0.00 H new ATOM 0 HE1 MET A 34 14.465 -17.246 -8.058 1.00 0.00 H new ATOM 0 HE2 MET A 34 13.617 -16.025 -7.079 1.00 0.00 H new ATOM 0 HE3 MET A 34 12.760 -16.863 -8.395 1.00 0.00 H new ATOM 494 N SER A 35 10.874 -10.936 -5.747 1.00 0.00 N ATOM 495 CA SER A 35 10.964 -10.047 -4.595 1.00 0.00 C ATOM 496 C SER A 35 9.779 -10.253 -3.656 1.00 0.00 C ATOM 497 O SER A 35 8.711 -10.698 -4.075 1.00 0.00 O ATOM 498 CB SER A 35 11.019 -8.588 -5.052 1.00 0.00 C ATOM 499 OG SER A 35 9.737 -8.126 -5.438 1.00 0.00 O ATOM 0 H SER A 35 9.994 -10.874 -6.260 1.00 0.00 H new ATOM 0 HA SER A 35 11.880 -10.285 -4.054 1.00 0.00 H new ATOM 0 HB2 SER A 35 11.406 -7.965 -4.245 1.00 0.00 H new ATOM 0 HB3 SER A 35 11.711 -8.492 -5.889 1.00 0.00 H new ATOM 0 HG SER A 35 9.734 -7.933 -6.399 1.00 0.00 H new ATOM 505 N SER A 36 9.977 -9.926 -2.383 1.00 0.00 N ATOM 506 CA SER A 36 8.927 -10.078 -1.382 1.00 0.00 C ATOM 507 C SER A 36 8.185 -8.762 -1.169 1.00 0.00 C ATOM 508 O SER A 36 8.783 -7.751 -0.801 1.00 0.00 O ATOM 509 CB SER A 36 9.521 -10.561 -0.058 1.00 0.00 C ATOM 510 OG SER A 36 8.520 -10.679 0.938 1.00 0.00 O ATOM 0 H SER A 36 10.855 -9.554 -2.020 1.00 0.00 H new ATOM 0 HA SER A 36 8.217 -10.821 -1.746 1.00 0.00 H new ATOM 0 HB2 SER A 36 10.008 -11.525 -0.205 1.00 0.00 H new ATOM 0 HB3 SER A 36 10.289 -9.863 0.275 1.00 0.00 H new ATOM 0 HG SER A 36 8.925 -10.991 1.774 1.00 0.00 H new ATOM 516 N VAL A 37 6.877 -8.783 -1.403 1.00 0.00 N ATOM 517 CA VAL A 37 6.051 -7.593 -1.236 1.00 0.00 C ATOM 518 C VAL A 37 5.311 -7.620 0.096 1.00 0.00 C ATOM 519 O VAL A 37 4.619 -8.587 0.416 1.00 0.00 O ATOM 520 CB VAL A 37 5.026 -7.456 -2.378 1.00 0.00 C ATOM 521 CG1 VAL A 37 4.161 -6.222 -2.174 1.00 0.00 C ATOM 522 CG2 VAL A 37 5.732 -7.407 -3.724 1.00 0.00 C ATOM 0 H VAL A 37 6.366 -9.611 -1.709 1.00 0.00 H new ATOM 0 HA VAL A 37 6.724 -6.736 -1.257 1.00 0.00 H new ATOM 0 HB VAL A 37 4.376 -8.331 -2.367 1.00 0.00 H new ATOM 0 HG11 VAL A 37 3.443 -6.142 -2.990 1.00 0.00 H new ATOM 0 HG12 VAL A 37 3.627 -6.305 -1.228 1.00 0.00 H new ATOM 0 HG13 VAL A 37 4.792 -5.334 -2.158 1.00 0.00 H new ATOM 0 HG21 VAL A 37 4.993 -7.310 -4.519 1.00 0.00 H new ATOM 0 HG22 VAL A 37 6.407 -6.552 -3.750 1.00 0.00 H new ATOM 0 HG23 VAL A 37 6.303 -8.324 -3.869 1.00 0.00 H new ATOM 532 N LYS A 38 5.461 -6.551 0.872 1.00 0.00 N ATOM 533 CA LYS A 38 4.805 -6.450 2.170 1.00 0.00 C ATOM 534 C LYS A 38 4.292 -5.034 2.412 1.00 0.00 C ATOM 535 O LYS A 38 4.785 -4.076 1.817 1.00 0.00 O ATOM 536 CB LYS A 38 5.774 -6.850 3.286 1.00 0.00 C ATOM 537 CG LYS A 38 5.818 -8.346 3.546 1.00 0.00 C ATOM 538 CD LYS A 38 6.319 -8.654 4.947 1.00 0.00 C ATOM 539 CE LYS A 38 5.748 -9.964 5.467 1.00 0.00 C ATOM 540 NZ LYS A 38 6.541 -11.137 5.006 1.00 0.00 N ATOM 0 H LYS A 38 6.031 -5.743 0.624 1.00 0.00 H new ATOM 0 HA LYS A 38 3.954 -7.131 2.173 1.00 0.00 H new ATOM 0 HB2 LYS A 38 6.775 -6.505 3.027 1.00 0.00 H new ATOM 0 HB3 LYS A 38 5.488 -6.338 4.205 1.00 0.00 H new ATOM 0 HG2 LYS A 38 4.822 -8.769 3.414 1.00 0.00 H new ATOM 0 HG3 LYS A 38 6.467 -8.825 2.813 1.00 0.00 H new ATOM 0 HD2 LYS A 38 7.408 -8.707 4.942 1.00 0.00 H new ATOM 0 HD3 LYS A 38 6.042 -7.843 5.620 1.00 0.00 H new ATOM 0 HE2 LYS A 38 5.729 -9.944 6.557 1.00 0.00 H new ATOM 0 HE3 LYS A 38 4.716 -10.069 5.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 6.119 -12.010 5.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 6.539 -11.171 3.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 7.520 -11.050 5.347 1.00 0.00 H new ATOM 554 N TRP A 39 3.302 -4.910 3.288 1.00 0.00 N ATOM 555 CA TRP A 39 2.724 -3.610 3.608 1.00 0.00 C ATOM 556 C TRP A 39 2.384 -3.516 5.092 1.00 0.00 C ATOM 557 O TRP A 39 1.618 -4.325 5.616 1.00 0.00 O ATOM 558 CB TRP A 39 1.468 -3.366 2.769 1.00 0.00 C ATOM 559 CG TRP A 39 1.767 -2.922 1.369 1.00 0.00 C ATOM 560 CD1 TRP A 39 1.933 -3.720 0.274 1.00 0.00 C ATOM 561 CD2 TRP A 39 1.936 -1.574 0.916 1.00 0.00 C ATOM 562 NE1 TRP A 39 2.195 -2.950 -0.833 1.00 0.00 N ATOM 563 CE2 TRP A 39 2.202 -1.630 -0.466 1.00 0.00 C ATOM 564 CE3 TRP A 39 1.887 -0.326 1.542 1.00 0.00 C ATOM 565 CZ2 TRP A 39 2.419 -0.486 -1.229 1.00 0.00 C ATOM 566 CZ3 TRP A 39 2.103 0.809 0.784 1.00 0.00 C ATOM 567 CH2 TRP A 39 2.365 0.723 -0.590 1.00 0.00 C ATOM 0 H TRP A 39 2.883 -5.693 3.789 1.00 0.00 H new ATOM 0 HA TRP A 39 3.464 -2.844 3.374 1.00 0.00 H new ATOM 0 HB2 TRP A 39 0.879 -4.283 2.734 1.00 0.00 H new ATOM 0 HB3 TRP A 39 0.853 -2.611 3.259 1.00 0.00 H new ATOM 0 HD1 TRP A 39 1.868 -4.798 0.277 1.00 0.00 H new ATOM 0 HE1 TRP A 39 2.358 -3.304 -1.776 1.00 0.00 H new ATOM 0 HE3 TRP A 39 1.684 -0.250 2.600 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 2.623 -0.550 -2.288 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 2.069 1.779 1.258 1.00 0.00 H new ATOM 0 HH2 TRP A 39 2.527 1.629 -1.156 1.00 0.00 H new ATOM 578 N LEU A 40 2.959 -2.525 5.764 1.00 0.00 N ATOM 579 CA LEU A 40 2.717 -2.325 7.189 1.00 0.00 C ATOM 580 C LEU A 40 1.589 -1.324 7.414 1.00 0.00 C ATOM 581 O LEU A 40 1.404 -0.393 6.629 1.00 0.00 O ATOM 582 CB LEU A 40 3.992 -1.838 7.880 1.00 0.00 C ATOM 583 CG LEU A 40 4.030 -1.986 9.401 1.00 0.00 C ATOM 584 CD1 LEU A 40 5.462 -2.150 9.886 1.00 0.00 C ATOM 585 CD2 LEU A 40 3.371 -0.789 10.070 1.00 0.00 C ATOM 0 H LEU A 40 3.596 -1.847 5.345 1.00 0.00 H new ATOM 0 HA LEU A 40 2.421 -3.281 7.620 1.00 0.00 H new ATOM 0 HB2 LEU A 40 4.839 -2.382 7.461 1.00 0.00 H new ATOM 0 HB3 LEU A 40 4.135 -0.786 7.634 1.00 0.00 H new ATOM 0 HG LEU A 40 3.472 -2.882 9.674 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.469 -2.254 10.971 1.00 0.00 H new ATOM 0 HD12 LEU A 40 5.900 -3.040 9.433 1.00 0.00 H new ATOM 0 HD13 LEU A 40 6.045 -1.274 9.602 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.407 -0.912 11.152 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.901 0.122 9.790 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.332 -0.718 9.747 1.00 0.00 H new ATOM 597 N LEU A 41 0.838 -1.520 8.493 1.00 0.00 N ATOM 598 CA LEU A 41 -0.272 -0.633 8.824 1.00 0.00 C ATOM 599 C LEU A 41 0.086 0.272 9.998 1.00 0.00 C ATOM 600 O LEU A 41 0.907 -0.070 10.849 1.00 0.00 O ATOM 601 CB LEU A 41 -1.522 -1.449 9.156 1.00 0.00 C ATOM 602 CG LEU A 41 -1.961 -2.465 8.101 1.00 0.00 C ATOM 603 CD1 LEU A 41 -2.020 -1.815 6.727 1.00 0.00 C ATOM 604 CD2 LEU A 41 -1.020 -3.660 8.087 1.00 0.00 C ATOM 0 H LEU A 41 0.978 -2.285 9.153 1.00 0.00 H new ATOM 0 HA LEU A 41 -0.476 -0.007 7.955 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -1.347 -1.980 10.092 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -2.347 -0.758 9.331 1.00 0.00 H new ATOM 0 HG LEU A 41 -2.960 -2.818 8.357 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -2.334 -2.553 5.989 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.734 -0.992 6.744 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -1.034 -1.434 6.462 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.348 -4.373 7.330 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.009 -3.324 7.856 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -1.028 -4.141 9.065 1.00 0.00 H new ATOM 616 N PRO A 42 -0.545 1.454 10.049 1.00 0.00 N ATOM 617 CA PRO A 42 -0.312 2.431 11.117 1.00 0.00 C ATOM 618 C PRO A 42 -0.866 1.967 12.459 1.00 0.00 C ATOM 619 O PRO A 42 -0.815 2.697 13.448 1.00 0.00 O ATOM 620 CB PRO A 42 -1.061 3.674 10.630 1.00 0.00 C ATOM 621 CG PRO A 42 -2.121 3.148 9.725 1.00 0.00 C ATOM 622 CD PRO A 42 -1.537 1.928 9.069 1.00 0.00 C ATOM 0 HA PRO A 42 0.751 2.598 11.292 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -1.492 4.228 11.464 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -0.394 4.357 10.104 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -3.022 2.897 10.284 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -2.404 3.893 8.982 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -2.299 1.174 8.872 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -1.073 2.169 8.113 1.00 0.00 H new ATOM 630 N ASN A 43 -1.395 0.748 12.486 1.00 0.00 N ATOM 631 CA ASN A 43 -1.960 0.186 13.708 1.00 0.00 C ATOM 632 C ASN A 43 -0.969 -0.760 14.379 1.00 0.00 C ATOM 633 O ASN A 43 -0.886 -0.821 15.605 1.00 0.00 O ATOM 634 CB ASN A 43 -3.262 -0.555 13.399 1.00 0.00 C ATOM 635 CG ASN A 43 -3.031 -2.018 13.073 1.00 0.00 C ATOM 636 OD1 ASN A 43 -2.787 -2.833 13.962 1.00 0.00 O ATOM 637 ND2 ASN A 43 -3.107 -2.357 11.791 1.00 0.00 N ATOM 0 H ASN A 43 -1.444 0.130 11.676 1.00 0.00 H new ATOM 0 HA ASN A 43 -2.172 1.007 14.393 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -3.933 -0.478 14.255 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -3.761 -0.073 12.558 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -2.961 -3.327 11.510 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -3.312 -1.648 11.087 1.00 0.00 H new ATOM 644 N GLY A 44 -0.219 -1.498 13.566 1.00 0.00 N ATOM 645 CA GLY A 44 0.756 -2.431 14.099 1.00 0.00 C ATOM 646 C GLY A 44 0.625 -3.815 13.494 1.00 0.00 C ATOM 647 O GLY A 44 0.435 -4.798 14.211 1.00 0.00 O ATOM 0 H GLY A 44 -0.269 -1.466 12.548 1.00 0.00 H new ATOM 0 HA2 GLY A 44 1.760 -2.049 13.912 1.00 0.00 H new ATOM 0 HA3 GLY A 44 0.637 -2.498 15.180 1.00 0.00 H new ATOM 651 N THR A 45 0.724 -3.893 12.171 1.00 0.00 N ATOM 652 CA THR A 45 0.612 -5.166 11.470 1.00 0.00 C ATOM 653 C THR A 45 1.152 -5.061 10.049 1.00 0.00 C ATOM 654 O THR A 45 1.312 -3.963 9.515 1.00 0.00 O ATOM 655 CB THR A 45 -0.849 -5.652 11.417 1.00 0.00 C ATOM 656 OG1 THR A 45 -1.455 -5.524 12.708 1.00 0.00 O ATOM 657 CG2 THR A 45 -0.922 -7.100 10.958 1.00 0.00 C ATOM 0 H THR A 45 0.882 -3.089 11.563 1.00 0.00 H new ATOM 0 HA THR A 45 1.207 -5.888 12.030 1.00 0.00 H new ATOM 0 HB THR A 45 -1.388 -5.033 10.700 1.00 0.00 H new ATOM 0 HG1 THR A 45 -0.770 -5.624 13.402 1.00 0.00 H new ATOM 0 HG21 THR A 45 -1.963 -7.420 10.929 1.00 0.00 H new ATOM 0 HG22 THR A 45 -0.487 -7.189 9.963 1.00 0.00 H new ATOM 0 HG23 THR A 45 -0.368 -7.731 11.653 1.00 0.00 H new ATOM 665 N VAL A 46 1.431 -6.209 9.440 1.00 0.00 N ATOM 666 CA VAL A 46 1.953 -6.245 8.079 1.00 0.00 C ATOM 667 C VAL A 46 1.358 -7.409 7.294 1.00 0.00 C ATOM 668 O VAL A 46 1.291 -8.536 7.787 1.00 0.00 O ATOM 669 CB VAL A 46 3.488 -6.365 8.069 1.00 0.00 C ATOM 670 CG1 VAL A 46 3.998 -6.577 6.651 1.00 0.00 C ATOM 671 CG2 VAL A 46 4.122 -5.132 8.694 1.00 0.00 C ATOM 0 H VAL A 46 1.304 -7.126 9.868 1.00 0.00 H new ATOM 0 HA VAL A 46 1.667 -5.306 7.605 1.00 0.00 H new ATOM 0 HB VAL A 46 3.772 -7.233 8.665 1.00 0.00 H new ATOM 0 HG11 VAL A 46 5.085 -6.660 6.664 1.00 0.00 H new ATOM 0 HG12 VAL A 46 3.569 -7.492 6.243 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.706 -5.731 6.029 1.00 0.00 H new ATOM 0 HG21 VAL A 46 5.207 -5.233 8.679 1.00 0.00 H new ATOM 0 HG22 VAL A 46 3.832 -4.247 8.127 1.00 0.00 H new ATOM 0 HG23 VAL A 46 3.782 -5.030 9.724 1.00 0.00 H new ATOM 681 N LEU A 47 0.927 -7.130 6.069 1.00 0.00 N ATOM 682 CA LEU A 47 0.337 -8.154 5.213 1.00 0.00 C ATOM 683 C LEU A 47 1.260 -8.485 4.045 1.00 0.00 C ATOM 684 O LEU A 47 2.283 -7.831 3.844 1.00 0.00 O ATOM 685 CB LEU A 47 -1.022 -7.688 4.689 1.00 0.00 C ATOM 686 CG LEU A 47 -2.080 -7.378 5.748 1.00 0.00 C ATOM 687 CD1 LEU A 47 -3.264 -6.655 5.125 1.00 0.00 C ATOM 688 CD2 LEU A 47 -2.536 -8.656 6.437 1.00 0.00 C ATOM 0 H LEU A 47 0.975 -6.203 5.646 1.00 0.00 H new ATOM 0 HA LEU A 47 0.199 -9.056 5.809 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -0.869 -6.794 4.085 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -1.416 -8.457 4.025 1.00 0.00 H new ATOM 0 HG LEU A 47 -1.635 -6.724 6.497 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -4.007 -6.443 5.894 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -2.926 -5.720 4.679 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -3.710 -7.284 4.354 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -3.289 -8.416 7.188 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -2.963 -9.335 5.699 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -1.683 -9.134 6.919 1.00 0.00 H new ATOM 700 N SER A 48 0.889 -9.503 3.274 1.00 0.00 N ATOM 701 CA SER A 48 1.685 -9.922 2.126 1.00 0.00 C ATOM 702 C SER A 48 0.812 -10.616 1.085 1.00 0.00 C ATOM 703 O SER A 48 -0.380 -10.836 1.304 1.00 0.00 O ATOM 704 CB SER A 48 2.809 -10.858 2.572 1.00 0.00 C ATOM 705 OG SER A 48 2.290 -12.005 3.223 1.00 0.00 O ATOM 0 H SER A 48 0.043 -10.052 3.424 1.00 0.00 H new ATOM 0 HA SER A 48 2.122 -9.032 1.673 1.00 0.00 H new ATOM 0 HB2 SER A 48 3.398 -11.162 1.707 1.00 0.00 H new ATOM 0 HB3 SER A 48 3.483 -10.328 3.245 1.00 0.00 H new ATOM 0 HG SER A 48 3.029 -12.588 3.497 1.00 0.00 H new ATOM 711 N HIS A 49 1.414 -10.959 -0.049 1.00 0.00 N ATOM 712 CA HIS A 49 0.693 -11.629 -1.126 1.00 0.00 C ATOM 713 C HIS A 49 -0.112 -12.808 -0.588 1.00 0.00 C ATOM 714 O HIS A 49 -1.140 -13.179 -1.154 1.00 0.00 O ATOM 715 CB HIS A 49 1.669 -12.109 -2.200 1.00 0.00 C ATOM 716 CG HIS A 49 0.995 -12.603 -3.443 1.00 0.00 C ATOM 717 ND1 HIS A 49 0.571 -11.766 -4.453 1.00 0.00 N ATOM 718 CD2 HIS A 49 0.675 -13.858 -3.838 1.00 0.00 C ATOM 719 CE1 HIS A 49 0.017 -12.483 -5.414 1.00 0.00 C ATOM 720 NE2 HIS A 49 0.068 -13.756 -5.065 1.00 0.00 N ATOM 0 H HIS A 49 2.399 -10.784 -0.246 1.00 0.00 H new ATOM 0 HA HIS A 49 0.002 -10.912 -1.569 1.00 0.00 H new ATOM 0 HB2 HIS A 49 2.340 -11.291 -2.461 1.00 0.00 H new ATOM 0 HB3 HIS A 49 2.285 -12.908 -1.788 1.00 0.00 H new ATOM 0 HD2 HIS A 49 0.862 -14.769 -3.290 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -0.406 -12.095 -6.329 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -0.286 -14.537 -5.618 1.00 0.00 H new ATOM 729 N ALA A 50 0.364 -13.394 0.506 1.00 0.00 N ATOM 730 CA ALA A 50 -0.312 -14.530 1.120 1.00 0.00 C ATOM 731 C ALA A 50 -1.584 -14.090 1.836 1.00 0.00 C ATOM 732 O ALA A 50 -2.657 -14.652 1.616 1.00 0.00 O ATOM 733 CB ALA A 50 0.623 -15.240 2.088 1.00 0.00 C ATOM 0 H ALA A 50 1.215 -13.101 0.985 1.00 0.00 H new ATOM 0 HA ALA A 50 -0.594 -15.225 0.329 1.00 0.00 H new ATOM 0 HB1 ALA A 50 0.105 -16.086 2.539 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.501 -15.597 1.550 1.00 0.00 H new ATOM 0 HB3 ALA A 50 0.933 -14.546 2.869 1.00 0.00 H new ATOM 739 N SER A 51 -1.457 -13.083 2.695 1.00 0.00 N ATOM 740 CA SER A 51 -2.596 -12.572 3.447 1.00 0.00 C ATOM 741 C SER A 51 -3.874 -12.648 2.617 1.00 0.00 C ATOM 742 O SER A 51 -3.876 -12.320 1.430 1.00 0.00 O ATOM 743 CB SER A 51 -2.340 -11.127 3.880 1.00 0.00 C ATOM 744 OG SER A 51 -3.299 -10.703 4.834 1.00 0.00 O ATOM 0 H SER A 51 -0.576 -12.605 2.887 1.00 0.00 H new ATOM 0 HA SER A 51 -2.723 -13.193 4.334 1.00 0.00 H new ATOM 0 HB2 SER A 51 -1.339 -11.043 4.304 1.00 0.00 H new ATOM 0 HB3 SER A 51 -2.374 -10.472 3.010 1.00 0.00 H new ATOM 0 HG SER A 51 -3.109 -11.124 5.698 1.00 0.00 H new ATOM 750 N ARG A 52 -4.958 -13.082 3.251 1.00 0.00 N ATOM 751 CA ARG A 52 -6.243 -13.203 2.571 1.00 0.00 C ATOM 752 C ARG A 52 -7.144 -12.016 2.899 1.00 0.00 C ATOM 753 O ARG A 52 -8.362 -12.082 2.727 1.00 0.00 O ATOM 754 CB ARG A 52 -6.934 -14.508 2.970 1.00 0.00 C ATOM 755 CG ARG A 52 -8.072 -14.902 2.044 1.00 0.00 C ATOM 756 CD ARG A 52 -7.575 -15.735 0.873 1.00 0.00 C ATOM 757 NE ARG A 52 -6.965 -16.987 1.313 1.00 0.00 N ATOM 758 CZ ARG A 52 -6.513 -17.917 0.479 1.00 0.00 C ATOM 759 NH1 ARG A 52 -6.600 -17.736 -0.832 1.00 0.00 N ATOM 760 NH2 ARG A 52 -5.970 -19.030 0.955 1.00 0.00 N ATOM 0 H ARG A 52 -4.973 -13.356 4.234 1.00 0.00 H new ATOM 0 HA ARG A 52 -6.059 -13.212 1.497 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -6.196 -15.310 2.986 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -7.320 -14.409 3.985 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -8.818 -15.467 2.603 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -8.565 -14.005 1.670 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -8.407 -15.953 0.204 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -6.848 -15.159 0.301 1.00 0.00 H new ATOM 0 HE ARG A 52 -6.881 -17.157 2.315 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -7.015 -16.881 -1.202 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -6.252 -18.452 -1.470 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -5.899 -19.172 1.963 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -5.623 -19.743 0.313 1.00 0.00 H new ATOM 774 N HIS A 53 -6.538 -10.932 3.372 1.00 0.00 N ATOM 775 CA HIS A 53 -7.286 -9.730 3.724 1.00 0.00 C ATOM 776 C HIS A 53 -8.183 -9.291 2.570 1.00 0.00 C ATOM 777 O HIS A 53 -7.751 -9.182 1.423 1.00 0.00 O ATOM 778 CB HIS A 53 -6.328 -8.599 4.099 1.00 0.00 C ATOM 779 CG HIS A 53 -6.913 -7.613 5.063 1.00 0.00 C ATOM 780 ND1 HIS A 53 -7.904 -6.718 4.717 1.00 0.00 N ATOM 781 CD2 HIS A 53 -6.644 -7.386 6.370 1.00 0.00 C ATOM 782 CE1 HIS A 53 -8.216 -5.982 5.769 1.00 0.00 C ATOM 783 NE2 HIS A 53 -7.466 -6.368 6.785 1.00 0.00 N ATOM 0 H HIS A 53 -5.531 -10.861 3.520 1.00 0.00 H new ATOM 0 HA HIS A 53 -7.916 -9.962 4.583 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -5.425 -9.028 4.534 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -6.027 -8.074 3.193 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -5.917 -7.909 6.974 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -8.958 -5.198 5.794 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -7.493 -5.974 7.725 1.00 0.00 H new ATOM 792 N PRO A 54 -9.463 -9.035 2.879 1.00 0.00 N ATOM 793 CA PRO A 54 -10.447 -8.604 1.882 1.00 0.00 C ATOM 794 C PRO A 54 -10.183 -7.189 1.380 1.00 0.00 C ATOM 795 O PRO A 54 -10.120 -6.950 0.174 1.00 0.00 O ATOM 796 CB PRO A 54 -11.773 -8.662 2.645 1.00 0.00 C ATOM 797 CG PRO A 54 -11.395 -8.494 4.076 1.00 0.00 C ATOM 798 CD PRO A 54 -10.048 -9.145 4.227 1.00 0.00 C ATOM 0 HA PRO A 54 -10.424 -9.230 0.990 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -12.452 -7.873 2.320 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -12.284 -9.611 2.479 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -11.351 -7.439 4.347 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -12.130 -8.961 4.731 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -9.437 -8.636 4.973 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -10.137 -10.184 4.543 1.00 0.00 H new ATOM 806 N ARG A 55 -10.028 -6.254 2.312 1.00 0.00 N ATOM 807 CA ARG A 55 -9.771 -4.862 1.963 1.00 0.00 C ATOM 808 C ARG A 55 -8.355 -4.690 1.423 1.00 0.00 C ATOM 809 O ARG A 55 -8.161 -4.392 0.244 1.00 0.00 O ATOM 810 CB ARG A 55 -9.977 -3.962 3.182 1.00 0.00 C ATOM 811 CG ARG A 55 -11.410 -3.486 3.353 1.00 0.00 C ATOM 812 CD ARG A 55 -11.743 -3.234 4.816 1.00 0.00 C ATOM 813 NE ARG A 55 -10.652 -2.562 5.517 1.00 0.00 N ATOM 814 CZ ARG A 55 -10.590 -2.445 6.839 1.00 0.00 C ATOM 815 NH1 ARG A 55 -11.551 -2.953 7.598 1.00 0.00 N ATOM 816 NH2 ARG A 55 -9.565 -1.820 7.403 1.00 0.00 N ATOM 0 H ARG A 55 -10.076 -6.435 3.315 1.00 0.00 H new ATOM 0 HA ARG A 55 -10.476 -4.573 1.184 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -9.674 -4.503 4.078 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -9.323 -3.094 3.097 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -11.561 -2.570 2.781 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -12.093 -4.232 2.946 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -12.646 -2.627 4.883 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -11.960 -4.183 5.307 1.00 0.00 H new ATOM 0 HE ARG A 55 -9.897 -2.161 4.961 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -12.340 -3.435 7.167 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -11.501 -2.862 8.613 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -8.824 -1.429 6.822 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -9.518 -1.731 8.418 1.00 0.00 H new ATOM 830 N ILE A 56 -7.368 -4.880 2.293 1.00 0.00 N ATOM 831 CA ILE A 56 -5.970 -4.746 1.903 1.00 0.00 C ATOM 832 C ILE A 56 -5.537 -5.899 1.004 1.00 0.00 C ATOM 833 O ILE A 56 -5.218 -6.987 1.484 1.00 0.00 O ATOM 834 CB ILE A 56 -5.045 -4.694 3.134 1.00 0.00 C ATOM 835 CG1 ILE A 56 -5.559 -3.663 4.141 1.00 0.00 C ATOM 836 CG2 ILE A 56 -3.621 -4.366 2.712 1.00 0.00 C ATOM 837 CD1 ILE A 56 -4.885 -3.752 5.493 1.00 0.00 C ATOM 0 H ILE A 56 -7.511 -5.127 3.272 1.00 0.00 H new ATOM 0 HA ILE A 56 -5.884 -3.808 1.354 1.00 0.00 H new ATOM 0 HB ILE A 56 -5.045 -5.673 3.613 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -5.409 -2.663 3.734 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -6.633 -3.797 4.270 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -2.979 -4.333 3.592 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -3.259 -5.133 2.027 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -3.603 -3.397 2.213 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -5.298 -2.992 6.156 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -5.057 -4.740 5.921 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -3.814 -3.588 5.377 1.00 0.00 H new ATOM 849 N SER A 57 -5.527 -5.652 -0.302 1.00 0.00 N ATOM 850 CA SER A 57 -5.134 -6.671 -1.269 1.00 0.00 C ATOM 851 C SER A 57 -3.829 -6.289 -1.961 1.00 0.00 C ATOM 852 O SER A 57 -3.722 -5.221 -2.563 1.00 0.00 O ATOM 853 CB SER A 57 -6.238 -6.868 -2.310 1.00 0.00 C ATOM 854 OG SER A 57 -6.756 -5.623 -2.745 1.00 0.00 O ATOM 0 H SER A 57 -5.786 -4.756 -0.715 1.00 0.00 H new ATOM 0 HA SER A 57 -4.979 -7.607 -0.732 1.00 0.00 H new ATOM 0 HB2 SER A 57 -5.843 -7.420 -3.163 1.00 0.00 H new ATOM 0 HB3 SER A 57 -7.040 -7.471 -1.884 1.00 0.00 H new ATOM 0 HG SER A 57 -7.459 -5.776 -3.411 1.00 0.00 H new ATOM 860 N VAL A 58 -2.839 -7.171 -1.869 1.00 0.00 N ATOM 861 CA VAL A 58 -1.540 -6.928 -2.486 1.00 0.00 C ATOM 862 C VAL A 58 -1.497 -7.476 -3.908 1.00 0.00 C ATOM 863 O VAL A 58 -1.211 -8.655 -4.123 1.00 0.00 O ATOM 864 CB VAL A 58 -0.402 -7.565 -1.667 1.00 0.00 C ATOM 865 CG1 VAL A 58 0.948 -7.249 -2.293 1.00 0.00 C ATOM 866 CG2 VAL A 58 -0.454 -7.089 -0.224 1.00 0.00 C ATOM 0 H VAL A 58 -2.911 -8.060 -1.374 1.00 0.00 H new ATOM 0 HA VAL A 58 -1.398 -5.848 -2.511 1.00 0.00 H new ATOM 0 HB VAL A 58 -0.534 -8.647 -1.674 1.00 0.00 H new ATOM 0 HG11 VAL A 58 1.740 -7.707 -1.701 1.00 0.00 H new ATOM 0 HG12 VAL A 58 0.980 -7.644 -3.308 1.00 0.00 H new ATOM 0 HG13 VAL A 58 1.093 -6.169 -2.319 1.00 0.00 H new ATOM 0 HG21 VAL A 58 0.357 -7.549 0.340 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -0.347 -6.005 -0.194 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -1.409 -7.372 0.218 1.00 0.00 H new ATOM 876 N LEU A 59 -1.781 -6.613 -4.878 1.00 0.00 N ATOM 877 CA LEU A 59 -1.774 -7.010 -6.281 1.00 0.00 C ATOM 878 C LEU A 59 -0.416 -7.580 -6.679 1.00 0.00 C ATOM 879 O LEU A 59 0.617 -7.174 -6.149 1.00 0.00 O ATOM 880 CB LEU A 59 -2.119 -5.815 -7.171 1.00 0.00 C ATOM 881 CG LEU A 59 -3.485 -5.172 -6.931 1.00 0.00 C ATOM 882 CD1 LEU A 59 -3.820 -4.196 -8.048 1.00 0.00 C ATOM 883 CD2 LEU A 59 -4.564 -6.238 -6.810 1.00 0.00 C ATOM 0 H LEU A 59 -2.019 -5.634 -4.718 1.00 0.00 H new ATOM 0 HA LEU A 59 -2.527 -7.786 -6.417 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.352 -5.053 -7.035 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -2.068 -6.136 -8.211 1.00 0.00 H new ATOM 0 HG LEU A 59 -3.444 -4.618 -5.993 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -4.796 -3.748 -7.860 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.063 -3.413 -8.086 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.842 -4.726 -9.000 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -5.529 -5.761 -6.639 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -4.605 -6.821 -7.730 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -4.332 -6.897 -5.973 1.00 0.00 H new ATOM 895 N ASN A 60 -0.427 -8.520 -7.618 1.00 0.00 N ATOM 896 CA ASN A 60 0.805 -9.144 -8.089 1.00 0.00 C ATOM 897 C ASN A 60 1.891 -8.098 -8.320 1.00 0.00 C ATOM 898 O ASN A 60 2.923 -8.101 -7.649 1.00 0.00 O ATOM 899 CB ASN A 60 0.545 -9.921 -9.382 1.00 0.00 C ATOM 900 CG ASN A 60 1.526 -11.060 -9.578 1.00 0.00 C ATOM 901 OD1 ASN A 60 2.503 -10.933 -10.317 1.00 0.00 O ATOM 902 ND2 ASN A 60 1.269 -12.183 -8.916 1.00 0.00 N ATOM 0 H ASN A 60 -1.274 -8.867 -8.068 1.00 0.00 H new ATOM 0 HA ASN A 60 1.150 -9.836 -7.320 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -0.470 -10.318 -9.367 1.00 0.00 H new ATOM 0 HB3 ASN A 60 0.608 -9.240 -10.231 1.00 0.00 H new ATOM 0 HD21 ASN A 60 1.893 -12.984 -9.009 1.00 0.00 H new ATOM 0 HD22 ASN A 60 0.448 -12.244 -8.314 1.00 0.00 H new ATOM 909 N ASP A 61 1.650 -7.204 -9.273 1.00 0.00 N ATOM 910 CA ASP A 61 2.607 -6.151 -9.592 1.00 0.00 C ATOM 911 C ASP A 61 3.214 -5.565 -8.321 1.00 0.00 C ATOM 912 O ASP A 61 4.393 -5.217 -8.287 1.00 0.00 O ATOM 913 CB ASP A 61 1.929 -5.046 -10.404 1.00 0.00 C ATOM 914 CG ASP A 61 0.786 -4.393 -9.653 1.00 0.00 C ATOM 915 OD1 ASP A 61 0.263 -5.019 -8.708 1.00 0.00 O ATOM 916 OD2 ASP A 61 0.414 -3.255 -10.011 1.00 0.00 O ATOM 0 H ASP A 61 0.801 -7.188 -9.838 1.00 0.00 H new ATOM 0 HA ASP A 61 3.408 -6.590 -10.187 1.00 0.00 H new ATOM 0 HB2 ASP A 61 2.667 -4.288 -10.667 1.00 0.00 H new ATOM 0 HB3 ASP A 61 1.554 -5.464 -11.338 1.00 0.00 H new ATOM 921 N GLY A 62 2.398 -5.457 -7.276 1.00 0.00 N ATOM 922 CA GLY A 62 2.872 -4.912 -6.018 1.00 0.00 C ATOM 923 C GLY A 62 2.125 -3.656 -5.612 1.00 0.00 C ATOM 924 O GLY A 62 2.737 -2.646 -5.264 1.00 0.00 O ATOM 0 H GLY A 62 1.417 -5.737 -7.279 1.00 0.00 H new ATOM 0 HA2 GLY A 62 2.764 -5.664 -5.236 1.00 0.00 H new ATOM 0 HA3 GLY A 62 3.936 -4.688 -6.100 1.00 0.00 H new ATOM 928 N THR A 63 0.798 -3.717 -5.659 1.00 0.00 N ATOM 929 CA THR A 63 -0.033 -2.576 -5.297 1.00 0.00 C ATOM 930 C THR A 63 -0.985 -2.928 -4.159 1.00 0.00 C ATOM 931 O THR A 63 -1.524 -4.034 -4.107 1.00 0.00 O ATOM 932 CB THR A 63 -0.853 -2.074 -6.500 1.00 0.00 C ATOM 933 OG1 THR A 63 0.023 -1.566 -7.512 1.00 0.00 O ATOM 934 CG2 THR A 63 -1.828 -0.987 -6.074 1.00 0.00 C ATOM 0 H THR A 63 0.276 -4.545 -5.944 1.00 0.00 H new ATOM 0 HA THR A 63 0.642 -1.785 -4.971 1.00 0.00 H new ATOM 0 HB THR A 63 -1.421 -2.914 -6.900 1.00 0.00 H new ATOM 0 HG1 THR A 63 0.076 -2.208 -8.251 1.00 0.00 H new ATOM 0 HG21 THR A 63 -2.396 -0.648 -6.940 1.00 0.00 H new ATOM 0 HG22 THR A 63 -2.512 -1.385 -5.325 1.00 0.00 H new ATOM 0 HG23 THR A 63 -1.275 -0.148 -5.651 1.00 0.00 H new ATOM 942 N LEU A 64 -1.187 -1.981 -3.249 1.00 0.00 N ATOM 943 CA LEU A 64 -2.076 -2.192 -2.111 1.00 0.00 C ATOM 944 C LEU A 64 -3.435 -1.544 -2.355 1.00 0.00 C ATOM 945 O LEU A 64 -3.575 -0.324 -2.279 1.00 0.00 O ATOM 946 CB LEU A 64 -1.448 -1.623 -0.838 1.00 0.00 C ATOM 947 CG LEU A 64 -1.893 -2.267 0.476 1.00 0.00 C ATOM 948 CD1 LEU A 64 -1.495 -3.735 0.512 1.00 0.00 C ATOM 949 CD2 LEU A 64 -1.301 -1.523 1.663 1.00 0.00 C ATOM 0 H LEU A 64 -0.748 -1.061 -3.277 1.00 0.00 H new ATOM 0 HA LEU A 64 -2.223 -3.265 -1.989 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.365 -1.718 -0.917 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -1.672 -0.557 -0.791 1.00 0.00 H new ATOM 0 HG LEU A 64 -2.979 -2.204 0.539 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -1.820 -4.177 1.454 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -1.968 -4.261 -0.317 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -0.412 -3.821 0.425 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -1.629 -1.996 2.589 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -0.213 -1.553 1.605 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -1.636 -0.486 1.647 1.00 0.00 H new ATOM 961 N ASN A 65 -4.434 -2.370 -2.646 1.00 0.00 N ATOM 962 CA ASN A 65 -5.784 -1.878 -2.899 1.00 0.00 C ATOM 963 C ASN A 65 -6.662 -2.039 -1.662 1.00 0.00 C ATOM 964 O ASN A 65 -6.449 -2.938 -0.848 1.00 0.00 O ATOM 965 CB ASN A 65 -6.407 -2.623 -4.081 1.00 0.00 C ATOM 966 CG ASN A 65 -7.774 -2.079 -4.452 1.00 0.00 C ATOM 967 OD1 ASN A 65 -8.671 -2.002 -3.613 1.00 0.00 O ATOM 968 ND2 ASN A 65 -7.937 -1.699 -5.714 1.00 0.00 N ATOM 0 H ASN A 65 -4.335 -3.383 -2.713 1.00 0.00 H new ATOM 0 HA ASN A 65 -5.718 -0.817 -3.141 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -5.744 -2.550 -4.943 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -6.495 -3.681 -3.835 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -8.835 -1.325 -6.022 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -7.165 -1.781 -6.375 1.00 0.00 H new ATOM 975 N PHE A 66 -7.651 -1.161 -1.528 1.00 0.00 N ATOM 976 CA PHE A 66 -8.562 -1.205 -0.390 1.00 0.00 C ATOM 977 C PHE A 66 -10.015 -1.184 -0.856 1.00 0.00 C ATOM 978 O PHE A 66 -10.546 -0.135 -1.222 1.00 0.00 O ATOM 979 CB PHE A 66 -8.298 -0.024 0.547 1.00 0.00 C ATOM 980 CG PHE A 66 -6.982 -0.111 1.265 1.00 0.00 C ATOM 981 CD1 PHE A 66 -5.789 0.007 0.569 1.00 0.00 C ATOM 982 CD2 PHE A 66 -6.936 -0.312 2.635 1.00 0.00 C ATOM 983 CE1 PHE A 66 -4.576 -0.072 1.226 1.00 0.00 C ATOM 984 CE2 PHE A 66 -5.726 -0.392 3.297 1.00 0.00 C ATOM 985 CZ PHE A 66 -4.544 -0.273 2.592 1.00 0.00 C ATOM 0 H PHE A 66 -7.842 -0.411 -2.193 1.00 0.00 H new ATOM 0 HA PHE A 66 -8.385 -2.135 0.150 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -8.328 0.901 -0.030 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -9.101 0.033 1.282 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -5.808 0.163 -0.500 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -7.856 -0.407 3.192 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -3.654 0.023 0.672 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -5.704 -0.548 4.366 1.00 0.00 H new ATOM 0 HZ PHE A 66 -3.597 -0.337 3.108 1.00 0.00 H new ATOM 995 N SER A 67 -10.652 -2.350 -0.839 1.00 0.00 N ATOM 996 CA SER A 67 -12.042 -2.468 -1.264 1.00 0.00 C ATOM 997 C SER A 67 -12.883 -1.330 -0.692 1.00 0.00 C ATOM 998 O SER A 67 -13.694 -0.728 -1.397 1.00 0.00 O ATOM 999 CB SER A 67 -12.620 -3.815 -0.824 1.00 0.00 C ATOM 1000 OG SER A 67 -13.898 -4.033 -1.396 1.00 0.00 O ATOM 0 H SER A 67 -10.228 -3.227 -0.536 1.00 0.00 H new ATOM 0 HA SER A 67 -12.070 -2.407 -2.352 1.00 0.00 H new ATOM 0 HB2 SER A 67 -11.944 -4.618 -1.119 1.00 0.00 H new ATOM 0 HB3 SER A 67 -12.695 -3.845 0.263 1.00 0.00 H new ATOM 0 HG SER A 67 -14.245 -4.901 -1.101 1.00 0.00 H new ATOM 1006 N HIS A 68 -12.683 -1.041 0.589 1.00 0.00 N ATOM 1007 CA HIS A 68 -13.422 0.025 1.257 1.00 0.00 C ATOM 1008 C HIS A 68 -12.660 0.532 2.478 1.00 0.00 C ATOM 1009 O HIS A 68 -12.564 -0.157 3.493 1.00 0.00 O ATOM 1010 CB HIS A 68 -14.807 -0.470 1.675 1.00 0.00 C ATOM 1011 CG HIS A 68 -14.767 -1.604 2.652 1.00 0.00 C ATOM 1012 ND1 HIS A 68 -15.092 -1.654 3.965 1.00 0.00 N flip ATOM 1013 CD2 HIS A 68 -14.353 -2.875 2.314 1.00 0.00 C flip ATOM 1014 CE1 HIS A 68 -14.872 -2.940 4.391 1.00 0.00 C flip ATOM 1015 NE2 HIS A 68 -14.426 -3.657 3.376 1.00 0.00 N flip ATOM 0 H HIS A 68 -12.016 -1.530 1.186 1.00 0.00 H new ATOM 0 HA HIS A 68 -13.536 0.850 0.554 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -15.363 0.358 2.115 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -15.355 -0.785 0.787 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -14.021 -3.183 1.334 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -15.037 -3.306 5.394 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -14.180 -4.646 3.407 1.00 0.00 H new ATOM 1024 N VAL A 69 -12.118 1.741 2.371 1.00 0.00 N ATOM 1025 CA VAL A 69 -11.364 2.341 3.466 1.00 0.00 C ATOM 1026 C VAL A 69 -12.294 3.013 4.469 1.00 0.00 C ATOM 1027 O VAL A 69 -13.290 3.632 4.091 1.00 0.00 O ATOM 1028 CB VAL A 69 -10.350 3.378 2.947 1.00 0.00 C ATOM 1029 CG1 VAL A 69 -9.318 2.713 2.049 1.00 0.00 C ATOM 1030 CG2 VAL A 69 -11.066 4.500 2.211 1.00 0.00 C ATOM 0 H VAL A 69 -12.187 2.324 1.537 1.00 0.00 H new ATOM 0 HA VAL A 69 -10.825 1.533 3.960 1.00 0.00 H new ATOM 0 HB VAL A 69 -9.828 3.810 3.801 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -8.610 3.461 1.692 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -8.784 1.948 2.613 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -9.819 2.252 1.198 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -10.335 5.224 1.851 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -11.615 4.088 1.365 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -11.762 4.994 2.889 1.00 0.00 H new ATOM 1040 N LEU A 70 -11.963 2.889 5.749 1.00 0.00 N ATOM 1041 CA LEU A 70 -12.768 3.486 6.809 1.00 0.00 C ATOM 1042 C LEU A 70 -12.023 4.637 7.477 1.00 0.00 C ATOM 1043 O LEU A 70 -10.833 4.843 7.236 1.00 0.00 O ATOM 1044 CB LEU A 70 -13.138 2.429 7.852 1.00 0.00 C ATOM 1045 CG LEU A 70 -13.459 1.036 7.312 1.00 0.00 C ATOM 1046 CD1 LEU A 70 -14.515 1.117 6.221 1.00 0.00 C ATOM 1047 CD2 LEU A 70 -12.198 0.364 6.787 1.00 0.00 C ATOM 0 H LEU A 70 -11.143 2.380 6.078 1.00 0.00 H new ATOM 0 HA LEU A 70 -13.680 3.880 6.360 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -12.313 2.341 8.559 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -14.002 2.787 8.412 1.00 0.00 H new ATOM 0 HG LEU A 70 -13.855 0.433 8.129 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -14.731 0.116 5.848 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -15.426 1.557 6.628 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -14.147 1.737 5.403 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -12.445 -0.627 6.406 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -11.773 0.966 5.984 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -11.472 0.272 7.595 1.00 0.00 H new ATOM 1059 N LEU A 71 -12.730 5.384 8.318 1.00 0.00 N ATOM 1060 CA LEU A 71 -12.135 6.514 9.023 1.00 0.00 C ATOM 1061 C LEU A 71 -11.025 6.048 9.959 1.00 0.00 C ATOM 1062 O LEU A 71 -10.085 6.791 10.241 1.00 0.00 O ATOM 1063 CB LEU A 71 -13.205 7.266 9.817 1.00 0.00 C ATOM 1064 CG LEU A 71 -14.383 7.810 9.007 1.00 0.00 C ATOM 1065 CD1 LEU A 71 -15.543 8.164 9.925 1.00 0.00 C ATOM 1066 CD2 LEU A 71 -13.956 9.022 8.192 1.00 0.00 C ATOM 0 H LEU A 71 -13.716 5.228 8.528 1.00 0.00 H new ATOM 0 HA LEU A 71 -11.702 7.186 8.282 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -13.595 6.598 10.585 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -12.728 8.100 10.332 1.00 0.00 H new ATOM 0 HG LEU A 71 -14.715 7.033 8.318 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -16.372 8.549 9.332 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -15.866 7.273 10.464 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -15.224 8.924 10.638 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -14.807 9.395 7.622 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -13.597 9.803 8.862 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -13.158 8.737 7.507 1.00 0.00 H new ATOM 1078 N SER A 72 -11.140 4.813 10.437 1.00 0.00 N ATOM 1079 CA SER A 72 -10.146 4.249 11.343 1.00 0.00 C ATOM 1080 C SER A 72 -8.867 3.892 10.592 1.00 0.00 C ATOM 1081 O SER A 72 -7.768 3.976 11.141 1.00 0.00 O ATOM 1082 CB SER A 72 -10.706 3.006 12.037 1.00 0.00 C ATOM 1083 OG SER A 72 -11.452 3.358 13.190 1.00 0.00 O ATOM 0 H SER A 72 -11.911 4.184 10.212 1.00 0.00 H new ATOM 0 HA SER A 72 -9.908 5.001 12.095 1.00 0.00 H new ATOM 0 HB2 SER A 72 -11.341 2.454 11.344 1.00 0.00 H new ATOM 0 HB3 SER A 72 -9.888 2.343 12.318 1.00 0.00 H new ATOM 0 HG SER A 72 -11.801 2.546 13.614 1.00 0.00 H new ATOM 1089 N ASP A 73 -9.018 3.494 9.334 1.00 0.00 N ATOM 1090 CA ASP A 73 -7.876 3.125 8.506 1.00 0.00 C ATOM 1091 C ASP A 73 -6.983 4.334 8.243 1.00 0.00 C ATOM 1092 O ASP A 73 -5.818 4.189 7.870 1.00 0.00 O ATOM 1093 CB ASP A 73 -8.351 2.529 7.180 1.00 0.00 C ATOM 1094 CG ASP A 73 -9.002 1.171 7.356 1.00 0.00 C ATOM 1095 OD1 ASP A 73 -9.472 0.879 8.476 1.00 0.00 O ATOM 1096 OD2 ASP A 73 -9.043 0.401 6.374 1.00 0.00 O ATOM 0 H ASP A 73 -9.921 3.419 8.865 1.00 0.00 H new ATOM 0 HA ASP A 73 -7.295 2.376 9.044 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -9.061 3.211 6.712 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -7.503 2.437 6.502 1.00 0.00 H new ATOM 1101 N THR A 74 -7.536 5.526 8.438 1.00 0.00 N ATOM 1102 CA THR A 74 -6.791 6.760 8.221 1.00 0.00 C ATOM 1103 C THR A 74 -5.464 6.740 8.970 1.00 0.00 C ATOM 1104 O THR A 74 -5.423 6.490 10.174 1.00 0.00 O ATOM 1105 CB THR A 74 -7.601 7.992 8.667 1.00 0.00 C ATOM 1106 OG1 THR A 74 -8.798 8.099 7.888 1.00 0.00 O ATOM 1107 CG2 THR A 74 -6.779 9.263 8.519 1.00 0.00 C ATOM 0 H THR A 74 -8.499 5.664 8.746 1.00 0.00 H new ATOM 0 HA THR A 74 -6.600 6.829 7.150 1.00 0.00 H new ATOM 0 HB THR A 74 -7.861 7.867 9.718 1.00 0.00 H new ATOM 0 HG1 THR A 74 -9.558 7.766 8.409 1.00 0.00 H new ATOM 0 HG21 THR A 74 -7.372 10.119 8.840 1.00 0.00 H new ATOM 0 HG22 THR A 74 -5.883 9.191 9.135 1.00 0.00 H new ATOM 0 HG23 THR A 74 -6.492 9.391 7.475 1.00 0.00 H new ATOM 1115 N GLY A 75 -4.379 7.006 8.250 1.00 0.00 N ATOM 1116 CA GLY A 75 -3.064 7.014 8.864 1.00 0.00 C ATOM 1117 C GLY A 75 -1.946 7.009 7.841 1.00 0.00 C ATOM 1118 O GLY A 75 -2.047 7.652 6.796 1.00 0.00 O ATOM 0 H GLY A 75 -4.387 7.216 7.252 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -2.968 7.895 9.498 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -2.964 6.143 9.512 1.00 0.00 H new ATOM 1122 N VAL A 76 -0.874 6.282 8.141 1.00 0.00 N ATOM 1123 CA VAL A 76 0.269 6.196 7.240 1.00 0.00 C ATOM 1124 C VAL A 76 0.662 4.745 6.988 1.00 0.00 C ATOM 1125 O VAL A 76 0.767 3.948 7.920 1.00 0.00 O ATOM 1126 CB VAL A 76 1.485 6.955 7.802 1.00 0.00 C ATOM 1127 CG1 VAL A 76 2.725 6.671 6.967 1.00 0.00 C ATOM 1128 CG2 VAL A 76 1.201 8.449 7.858 1.00 0.00 C ATOM 0 H VAL A 76 -0.774 5.744 9.002 1.00 0.00 H new ATOM 0 HA VAL A 76 -0.034 6.656 6.300 1.00 0.00 H new ATOM 0 HB VAL A 76 1.672 6.605 8.817 1.00 0.00 H new ATOM 0 HG11 VAL A 76 3.574 7.216 7.379 1.00 0.00 H new ATOM 0 HG12 VAL A 76 2.938 5.602 6.983 1.00 0.00 H new ATOM 0 HG13 VAL A 76 2.553 6.991 5.939 1.00 0.00 H new ATOM 0 HG21 VAL A 76 2.071 8.970 8.258 1.00 0.00 H new ATOM 0 HG22 VAL A 76 0.987 8.817 6.854 1.00 0.00 H new ATOM 0 HG23 VAL A 76 0.341 8.632 8.502 1.00 0.00 H new ATOM 1138 N TYR A 77 0.878 4.408 5.721 1.00 0.00 N ATOM 1139 CA TYR A 77 1.258 3.052 5.345 1.00 0.00 C ATOM 1140 C TYR A 77 2.685 3.015 4.804 1.00 0.00 C ATOM 1141 O TYR A 77 3.130 3.944 4.130 1.00 0.00 O ATOM 1142 CB TYR A 77 0.290 2.500 4.297 1.00 0.00 C ATOM 1143 CG TYR A 77 -1.127 2.348 4.803 1.00 0.00 C ATOM 1144 CD1 TYR A 77 -1.880 3.458 5.164 1.00 0.00 C ATOM 1145 CD2 TYR A 77 -1.712 1.093 4.918 1.00 0.00 C ATOM 1146 CE1 TYR A 77 -3.174 3.323 5.628 1.00 0.00 C ATOM 1147 CE2 TYR A 77 -3.007 0.949 5.379 1.00 0.00 C ATOM 1148 CZ TYR A 77 -3.733 2.066 5.733 1.00 0.00 C ATOM 1149 OH TYR A 77 -5.023 1.928 6.193 1.00 0.00 O ATOM 0 H TYR A 77 0.796 5.056 4.937 1.00 0.00 H new ATOM 0 HA TYR A 77 1.211 2.429 6.238 1.00 0.00 H new ATOM 0 HB2 TYR A 77 0.289 3.162 3.431 1.00 0.00 H new ATOM 0 HB3 TYR A 77 0.651 1.530 3.956 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -1.446 4.444 5.080 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -1.146 0.216 4.643 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -3.745 4.196 5.907 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -3.448 -0.034 5.461 1.00 0.00 H new ATOM 0 HH TYR A 77 -5.256 2.700 6.751 1.00 0.00 H new ATOM 1159 N THR A 78 3.397 1.934 5.105 1.00 0.00 N ATOM 1160 CA THR A 78 4.773 1.775 4.651 1.00 0.00 C ATOM 1161 C THR A 78 4.966 0.442 3.937 1.00 0.00 C ATOM 1162 O THR A 78 4.652 -0.616 4.483 1.00 0.00 O ATOM 1163 CB THR A 78 5.766 1.863 5.826 1.00 0.00 C ATOM 1164 OG1 THR A 78 5.660 3.141 6.462 1.00 0.00 O ATOM 1165 CG2 THR A 78 7.193 1.647 5.345 1.00 0.00 C ATOM 0 H THR A 78 3.044 1.155 5.661 1.00 0.00 H new ATOM 0 HA THR A 78 4.972 2.590 3.954 1.00 0.00 H new ATOM 0 HB THR A 78 5.518 1.080 6.542 1.00 0.00 H new ATOM 0 HG1 THR A 78 6.293 3.188 7.209 1.00 0.00 H new ATOM 0 HG21 THR A 78 7.876 1.714 6.192 1.00 0.00 H new ATOM 0 HG22 THR A 78 7.277 0.661 4.887 1.00 0.00 H new ATOM 0 HG23 THR A 78 7.449 2.411 4.611 1.00 0.00 H new ATOM 1173 N CYS A 79 5.483 0.501 2.715 1.00 0.00 N ATOM 1174 CA CYS A 79 5.717 -0.703 1.925 1.00 0.00 C ATOM 1175 C CYS A 79 7.132 -1.229 2.143 1.00 0.00 C ATOM 1176 O CYS A 79 8.094 -0.462 2.155 1.00 0.00 O ATOM 1177 CB CYS A 79 5.488 -0.417 0.440 1.00 0.00 C ATOM 1178 SG CYS A 79 5.720 -1.853 -0.633 1.00 0.00 S ATOM 0 H CYS A 79 5.748 1.369 2.250 1.00 0.00 H new ATOM 0 HA CYS A 79 5.011 -1.466 2.253 1.00 0.00 H new ATOM 0 HB2 CYS A 79 4.475 -0.037 0.306 1.00 0.00 H new ATOM 0 HB3 CYS A 79 6.169 0.373 0.124 1.00 0.00 H new ATOM 0 HG CYS A 79 5.411 -1.536 -1.855 1.00 0.00 H new ATOM 1184 N MET A 80 7.250 -2.541 2.315 1.00 0.00 N ATOM 1185 CA MET A 80 8.548 -3.170 2.533 1.00 0.00 C ATOM 1186 C MET A 80 8.954 -4.010 1.326 1.00 0.00 C ATOM 1187 O MET A 80 8.128 -4.704 0.734 1.00 0.00 O ATOM 1188 CB MET A 80 8.511 -4.044 3.788 1.00 0.00 C ATOM 1189 CG MET A 80 8.021 -3.309 5.026 1.00 0.00 C ATOM 1190 SD MET A 80 8.518 -4.121 6.557 1.00 0.00 S ATOM 1191 CE MET A 80 6.954 -4.803 7.102 1.00 0.00 C ATOM 0 H MET A 80 6.463 -3.190 2.308 1.00 0.00 H new ATOM 0 HA MET A 80 9.288 -2.381 2.670 1.00 0.00 H new ATOM 0 HB2 MET A 80 7.864 -4.902 3.605 1.00 0.00 H new ATOM 0 HB3 MET A 80 9.511 -4.434 3.979 1.00 0.00 H new ATOM 0 HG2 MET A 80 8.409 -2.291 5.017 1.00 0.00 H new ATOM 0 HG3 MET A 80 6.934 -3.236 4.994 1.00 0.00 H new ATOM 0 HE1 MET A 80 7.137 -5.643 7.772 1.00 0.00 H new ATOM 0 HE2 MET A 80 6.387 -4.036 7.629 1.00 0.00 H new ATOM 0 HE3 MET A 80 6.385 -5.145 6.237 1.00 0.00 H new ATOM 1201 N VAL A 81 10.232 -3.941 0.966 1.00 0.00 N ATOM 1202 CA VAL A 81 10.748 -4.696 -0.169 1.00 0.00 C ATOM 1203 C VAL A 81 12.106 -5.310 0.150 1.00 0.00 C ATOM 1204 O VAL A 81 13.104 -4.601 0.291 1.00 0.00 O ATOM 1205 CB VAL A 81 10.881 -3.807 -1.420 1.00 0.00 C ATOM 1206 CG1 VAL A 81 11.384 -4.621 -2.603 1.00 0.00 C ATOM 1207 CG2 VAL A 81 9.550 -3.145 -1.746 1.00 0.00 C ATOM 0 H VAL A 81 10.929 -3.370 1.444 1.00 0.00 H new ATOM 0 HA VAL A 81 10.031 -5.492 -0.371 1.00 0.00 H new ATOM 0 HB VAL A 81 11.610 -3.024 -1.212 1.00 0.00 H new ATOM 0 HG11 VAL A 81 11.472 -3.976 -3.477 1.00 0.00 H new ATOM 0 HG12 VAL A 81 12.360 -5.044 -2.365 1.00 0.00 H new ATOM 0 HG13 VAL A 81 10.681 -5.427 -2.815 1.00 0.00 H new ATOM 0 HG21 VAL A 81 9.662 -2.521 -2.632 1.00 0.00 H new ATOM 0 HG22 VAL A 81 8.799 -3.912 -1.935 1.00 0.00 H new ATOM 0 HG23 VAL A 81 9.235 -2.528 -0.905 1.00 0.00 H new ATOM 1217 N THR A 82 12.139 -6.634 0.264 1.00 0.00 N ATOM 1218 CA THR A 82 13.375 -7.345 0.568 1.00 0.00 C ATOM 1219 C THR A 82 13.806 -8.222 -0.602 1.00 0.00 C ATOM 1220 O THR A 82 13.090 -9.140 -0.998 1.00 0.00 O ATOM 1221 CB THR A 82 13.223 -8.223 1.824 1.00 0.00 C ATOM 1222 OG1 THR A 82 12.679 -7.449 2.900 1.00 0.00 O ATOM 1223 CG2 THR A 82 14.564 -8.807 2.241 1.00 0.00 C ATOM 0 H THR A 82 11.323 -7.236 0.150 1.00 0.00 H new ATOM 0 HA THR A 82 14.138 -6.589 0.752 1.00 0.00 H new ATOM 0 HB THR A 82 12.545 -9.043 1.587 1.00 0.00 H new ATOM 0 HG1 THR A 82 12.584 -8.015 3.694 1.00 0.00 H new ATOM 0 HG21 THR A 82 14.432 -9.423 3.130 1.00 0.00 H new ATOM 0 HG22 THR A 82 14.962 -9.419 1.431 1.00 0.00 H new ATOM 0 HG23 THR A 82 15.261 -7.998 2.461 1.00 0.00 H new ATOM 1231 N ASN A 83 14.982 -7.932 -1.150 1.00 0.00 N ATOM 1232 CA ASN A 83 15.509 -8.696 -2.276 1.00 0.00 C ATOM 1233 C ASN A 83 16.972 -9.064 -2.045 1.00 0.00 C ATOM 1234 O ASN A 83 17.732 -8.295 -1.458 1.00 0.00 O ATOM 1235 CB ASN A 83 15.372 -7.894 -3.572 1.00 0.00 C ATOM 1236 CG ASN A 83 14.044 -7.166 -3.663 1.00 0.00 C ATOM 1237 OD1 ASN A 83 13.099 -7.483 -2.940 1.00 0.00 O ATOM 1238 ND2 ASN A 83 13.968 -6.186 -4.555 1.00 0.00 N ATOM 0 H ASN A 83 15.587 -7.175 -0.833 1.00 0.00 H new ATOM 0 HA ASN A 83 14.930 -9.615 -2.363 1.00 0.00 H new ATOM 0 HB2 ASN A 83 16.185 -7.171 -3.636 1.00 0.00 H new ATOM 0 HB3 ASN A 83 15.474 -8.566 -4.424 1.00 0.00 H new ATOM 0 HD21 ASN A 83 13.100 -5.661 -4.663 1.00 0.00 H new ATOM 0 HD22 ASN A 83 14.777 -5.958 -5.133 1.00 0.00 H new ATOM 1245 N VAL A 84 17.359 -10.247 -2.513 1.00 0.00 N ATOM 1246 CA VAL A 84 18.730 -10.718 -2.360 1.00 0.00 C ATOM 1247 C VAL A 84 19.730 -9.617 -2.697 1.00 0.00 C ATOM 1248 O VAL A 84 20.764 -9.482 -2.044 1.00 0.00 O ATOM 1249 CB VAL A 84 19.007 -11.940 -3.255 1.00 0.00 C ATOM 1250 CG1 VAL A 84 18.774 -11.594 -4.718 1.00 0.00 C ATOM 1251 CG2 VAL A 84 20.425 -12.448 -3.039 1.00 0.00 C ATOM 0 H VAL A 84 16.742 -10.896 -3.001 1.00 0.00 H new ATOM 0 HA VAL A 84 18.851 -11.007 -1.316 1.00 0.00 H new ATOM 0 HB VAL A 84 18.314 -12.735 -2.979 1.00 0.00 H new ATOM 0 HG11 VAL A 84 18.975 -12.470 -5.335 1.00 0.00 H new ATOM 0 HG12 VAL A 84 17.739 -11.281 -4.858 1.00 0.00 H new ATOM 0 HG13 VAL A 84 19.441 -10.783 -5.011 1.00 0.00 H new ATOM 0 HG21 VAL A 84 20.604 -13.312 -3.679 1.00 0.00 H new ATOM 0 HG22 VAL A 84 21.136 -11.660 -3.287 1.00 0.00 H new ATOM 0 HG23 VAL A 84 20.553 -12.737 -1.996 1.00 0.00 H new ATOM 1261 N ALA A 85 19.414 -8.832 -3.722 1.00 0.00 N ATOM 1262 CA ALA A 85 20.283 -7.741 -4.145 1.00 0.00 C ATOM 1263 C ALA A 85 20.244 -6.590 -3.147 1.00 0.00 C ATOM 1264 O ALA A 85 21.283 -6.105 -2.702 1.00 0.00 O ATOM 1265 CB ALA A 85 19.884 -7.256 -5.530 1.00 0.00 C ATOM 0 H ALA A 85 18.562 -8.932 -4.275 1.00 0.00 H new ATOM 0 HA ALA A 85 21.305 -8.117 -4.185 1.00 0.00 H new ATOM 0 HB1 ALA A 85 20.541 -6.441 -5.833 1.00 0.00 H new ATOM 0 HB2 ALA A 85 19.971 -8.077 -6.242 1.00 0.00 H new ATOM 0 HB3 ALA A 85 18.853 -6.902 -5.509 1.00 0.00 H new ATOM 1271 N GLY A 86 19.036 -6.154 -2.799 1.00 0.00 N ATOM 1272 CA GLY A 86 18.885 -5.062 -1.856 1.00 0.00 C ATOM 1273 C GLY A 86 17.483 -4.980 -1.284 1.00 0.00 C ATOM 1274 O GLY A 86 16.575 -5.666 -1.750 1.00 0.00 O ATOM 0 H GLY A 86 18.160 -6.538 -3.154 1.00 0.00 H new ATOM 0 HA2 GLY A 86 19.599 -5.187 -1.042 1.00 0.00 H new ATOM 0 HA3 GLY A 86 19.128 -4.122 -2.351 1.00 0.00 H new ATOM 1278 N ASN A 87 17.307 -4.138 -0.271 1.00 0.00 N ATOM 1279 CA ASN A 87 16.007 -3.970 0.366 1.00 0.00 C ATOM 1280 C ASN A 87 15.603 -2.499 0.401 1.00 0.00 C ATOM 1281 O ASN A 87 16.390 -1.638 0.794 1.00 0.00 O ATOM 1282 CB ASN A 87 16.035 -4.536 1.788 1.00 0.00 C ATOM 1283 CG ASN A 87 16.895 -5.780 1.897 1.00 0.00 C ATOM 1284 OD1 ASN A 87 17.157 -6.457 0.903 1.00 0.00 O ATOM 1285 ND2 ASN A 87 17.340 -6.087 3.110 1.00 0.00 N ATOM 0 H ASN A 87 18.049 -3.561 0.126 1.00 0.00 H new ATOM 0 HA ASN A 87 15.270 -4.517 -0.222 1.00 0.00 H new ATOM 0 HB2 ASN A 87 16.412 -3.776 2.472 1.00 0.00 H new ATOM 0 HB3 ASN A 87 15.018 -4.771 2.103 1.00 0.00 H new ATOM 0 HD21 ASN A 87 17.924 -6.912 3.245 1.00 0.00 H new ATOM 0 HD22 ASN A 87 17.098 -5.497 3.906 1.00 0.00 H new ATOM 1292 N SER A 88 14.371 -2.219 -0.012 1.00 0.00 N ATOM 1293 CA SER A 88 13.864 -0.852 -0.032 1.00 0.00 C ATOM 1294 C SER A 88 12.472 -0.780 0.588 1.00 0.00 C ATOM 1295 O SER A 88 11.794 -1.796 0.738 1.00 0.00 O ATOM 1296 CB SER A 88 13.823 -0.321 -1.466 1.00 0.00 C ATOM 1297 OG SER A 88 12.922 -1.070 -2.262 1.00 0.00 O ATOM 0 H SER A 88 13.706 -2.920 -0.337 1.00 0.00 H new ATOM 0 HA SER A 88 14.539 -0.232 0.558 1.00 0.00 H new ATOM 0 HB2 SER A 88 13.523 0.727 -1.460 1.00 0.00 H new ATOM 0 HB3 SER A 88 14.821 -0.365 -1.902 1.00 0.00 H new ATOM 0 HG SER A 88 13.289 -1.965 -2.417 1.00 0.00 H new ATOM 1303 N ASN A 89 12.053 0.429 0.948 1.00 0.00 N ATOM 1304 CA ASN A 89 10.742 0.635 1.553 1.00 0.00 C ATOM 1305 C ASN A 89 10.239 2.052 1.294 1.00 0.00 C ATOM 1306 O ASN A 89 11.020 3.003 1.269 1.00 0.00 O ATOM 1307 CB ASN A 89 10.805 0.371 3.059 1.00 0.00 C ATOM 1308 CG ASN A 89 11.769 -0.746 3.411 1.00 0.00 C ATOM 1309 OD1 ASN A 89 12.963 -0.665 3.122 1.00 0.00 O ATOM 1310 ND2 ASN A 89 11.252 -1.797 4.037 1.00 0.00 N ATOM 0 H ASN A 89 12.602 1.281 0.831 1.00 0.00 H new ATOM 0 HA ASN A 89 10.045 -0.068 1.097 1.00 0.00 H new ATOM 0 HB2 ASN A 89 11.108 1.284 3.573 1.00 0.00 H new ATOM 0 HB3 ASN A 89 9.809 0.116 3.422 1.00 0.00 H new ATOM 0 HD21 ASN A 89 11.851 -2.580 4.298 1.00 0.00 H new ATOM 0 HD22 ASN A 89 10.256 -1.821 4.257 1.00 0.00 H new ATOM 1317 N ALA A 90 8.931 2.184 1.101 1.00 0.00 N ATOM 1318 CA ALA A 90 8.324 3.484 0.846 1.00 0.00 C ATOM 1319 C ALA A 90 7.243 3.796 1.876 1.00 0.00 C ATOM 1320 O ALA A 90 6.931 2.969 2.732 1.00 0.00 O ATOM 1321 CB ALA A 90 7.745 3.529 -0.560 1.00 0.00 C ATOM 0 H ALA A 90 8.271 1.406 1.116 1.00 0.00 H new ATOM 0 HA ALA A 90 9.101 4.244 0.931 1.00 0.00 H new ATOM 0 HB1 ALA A 90 7.295 4.506 -0.737 1.00 0.00 H new ATOM 0 HB2 ALA A 90 8.540 3.359 -1.286 1.00 0.00 H new ATOM 0 HB3 ALA A 90 6.985 2.755 -0.666 1.00 0.00 H new ATOM 1327 N SER A 91 6.677 4.996 1.787 1.00 0.00 N ATOM 1328 CA SER A 91 5.635 5.419 2.715 1.00 0.00 C ATOM 1329 C SER A 91 4.575 6.250 1.998 1.00 0.00 C ATOM 1330 O SER A 91 4.828 6.816 0.935 1.00 0.00 O ATOM 1331 CB SER A 91 6.241 6.227 3.863 1.00 0.00 C ATOM 1332 OG SER A 91 7.257 5.491 4.523 1.00 0.00 O ATOM 0 H SER A 91 6.922 5.691 1.082 1.00 0.00 H new ATOM 0 HA SER A 91 5.160 4.526 3.121 1.00 0.00 H new ATOM 0 HB2 SER A 91 6.655 7.159 3.478 1.00 0.00 H new ATOM 0 HB3 SER A 91 5.461 6.495 4.575 1.00 0.00 H new ATOM 0 HG SER A 91 7.630 6.029 5.252 1.00 0.00 H new ATOM 1338 N ALA A 92 3.386 6.318 2.588 1.00 0.00 N ATOM 1339 CA ALA A 92 2.287 7.081 2.008 1.00 0.00 C ATOM 1340 C ALA A 92 1.139 7.229 3.000 1.00 0.00 C ATOM 1341 O ALA A 92 0.750 6.268 3.663 1.00 0.00 O ATOM 1342 CB ALA A 92 1.801 6.416 0.729 1.00 0.00 C ATOM 0 H ALA A 92 3.159 5.854 3.467 1.00 0.00 H new ATOM 0 HA ALA A 92 2.655 8.078 1.768 1.00 0.00 H new ATOM 0 HB1 ALA A 92 0.980 6.996 0.306 1.00 0.00 H new ATOM 0 HB2 ALA A 92 2.619 6.368 0.010 1.00 0.00 H new ATOM 0 HB3 ALA A 92 1.455 5.407 0.952 1.00 0.00 H new ATOM 1348 N TYR A 93 0.599 8.439 3.096 1.00 0.00 N ATOM 1349 CA TYR A 93 -0.503 8.714 4.009 1.00 0.00 C ATOM 1350 C TYR A 93 -1.847 8.549 3.306 1.00 0.00 C ATOM 1351 O TYR A 93 -2.015 8.957 2.157 1.00 0.00 O ATOM 1352 CB TYR A 93 -0.383 10.130 4.576 1.00 0.00 C ATOM 1353 CG TYR A 93 -1.437 10.460 5.609 1.00 0.00 C ATOM 1354 CD1 TYR A 93 -2.758 10.675 5.237 1.00 0.00 C ATOM 1355 CD2 TYR A 93 -1.112 10.557 6.956 1.00 0.00 C ATOM 1356 CE1 TYR A 93 -3.725 10.978 6.176 1.00 0.00 C ATOM 1357 CE2 TYR A 93 -2.072 10.858 7.903 1.00 0.00 C ATOM 1358 CZ TYR A 93 -3.376 11.068 7.508 1.00 0.00 C ATOM 1359 OH TYR A 93 -4.336 11.369 8.447 1.00 0.00 O ATOM 0 H TYR A 93 0.907 9.245 2.552 1.00 0.00 H new ATOM 0 HA TYR A 93 -0.450 7.996 4.827 1.00 0.00 H new ATOM 0 HB2 TYR A 93 0.603 10.250 5.024 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -0.451 10.847 3.758 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -3.034 10.604 4.195 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -0.091 10.394 7.269 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -4.747 11.143 5.870 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -1.802 10.928 8.946 1.00 0.00 H new ATOM 0 HH TYR A 93 -3.927 11.393 9.337 1.00 0.00 H new ATOM 1369 N LEU A 94 -2.803 7.947 4.006 1.00 0.00 N ATOM 1370 CA LEU A 94 -4.134 7.727 3.451 1.00 0.00 C ATOM 1371 C LEU A 94 -5.195 8.447 4.277 1.00 0.00 C ATOM 1372 O LEU A 94 -5.178 8.397 5.507 1.00 0.00 O ATOM 1373 CB LEU A 94 -4.444 6.230 3.396 1.00 0.00 C ATOM 1374 CG LEU A 94 -5.886 5.855 3.053 1.00 0.00 C ATOM 1375 CD1 LEU A 94 -6.078 5.797 1.545 1.00 0.00 C ATOM 1376 CD2 LEU A 94 -6.258 4.525 3.691 1.00 0.00 C ATOM 0 H LEU A 94 -2.681 7.603 4.958 1.00 0.00 H new ATOM 0 HA LEU A 94 -4.150 8.133 2.440 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -3.785 5.770 2.660 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -4.196 5.792 4.363 1.00 0.00 H new ATOM 0 HG LEU A 94 -6.546 6.624 3.454 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -7.110 5.529 1.320 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -5.854 6.772 1.112 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -5.408 5.049 1.121 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -7.288 4.274 3.436 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -5.592 3.745 3.321 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -6.161 4.601 4.774 1.00 0.00 H new ATOM 1388 N ASN A 95 -6.118 9.115 3.594 1.00 0.00 N ATOM 1389 CA ASN A 95 -7.187 9.845 4.265 1.00 0.00 C ATOM 1390 C ASN A 95 -8.541 9.193 3.998 1.00 0.00 C ATOM 1391 O ASN A 95 -8.812 8.731 2.890 1.00 0.00 O ATOM 1392 CB ASN A 95 -7.210 11.302 3.798 1.00 0.00 C ATOM 1393 CG ASN A 95 -8.381 12.075 4.374 1.00 0.00 C ATOM 1394 OD1 ASN A 95 -8.925 11.713 5.417 1.00 0.00 O ATOM 1395 ND2 ASN A 95 -8.774 13.146 3.695 1.00 0.00 N ATOM 0 H ASN A 95 -6.147 9.166 2.576 1.00 0.00 H new ATOM 0 HA ASN A 95 -6.994 9.817 5.337 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -6.279 11.789 4.088 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -7.259 11.331 2.709 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -9.556 13.706 4.034 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -8.293 13.409 2.835 1.00 0.00 H new ATOM 1402 N VAL A 96 -9.387 9.159 5.023 1.00 0.00 N ATOM 1403 CA VAL A 96 -10.713 8.565 4.899 1.00 0.00 C ATOM 1404 C VAL A 96 -11.774 9.453 5.540 1.00 0.00 C ATOM 1405 O VAL A 96 -11.825 9.594 6.762 1.00 0.00 O ATOM 1406 CB VAL A 96 -10.766 7.170 5.549 1.00 0.00 C ATOM 1407 CG1 VAL A 96 -12.133 6.535 5.342 1.00 0.00 C ATOM 1408 CG2 VAL A 96 -9.666 6.280 4.990 1.00 0.00 C ATOM 0 H VAL A 96 -9.178 9.535 5.948 1.00 0.00 H new ATOM 0 HA VAL A 96 -10.919 8.469 3.833 1.00 0.00 H new ATOM 0 HB VAL A 96 -10.603 7.282 6.621 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -12.151 5.550 5.808 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -12.899 7.165 5.795 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -12.330 6.435 4.275 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -9.718 5.298 5.460 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -9.796 6.174 3.913 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -8.695 6.730 5.196 1.00 0.00 H new ATOM 1418 N SER A 97 -12.622 10.048 4.707 1.00 0.00 N ATOM 1419 CA SER A 97 -13.681 10.925 5.192 1.00 0.00 C ATOM 1420 C SER A 97 -15.052 10.294 4.972 1.00 0.00 C ATOM 1421 O SER A 97 -15.349 9.789 3.889 1.00 0.00 O ATOM 1422 CB SER A 97 -13.612 12.281 4.487 1.00 0.00 C ATOM 1423 OG SER A 97 -14.693 13.112 4.873 1.00 0.00 O ATOM 0 H SER A 97 -12.596 9.939 3.693 1.00 0.00 H new ATOM 0 HA SER A 97 -13.536 11.072 6.262 1.00 0.00 H new ATOM 0 HB2 SER A 97 -12.669 12.771 4.727 1.00 0.00 H new ATOM 0 HB3 SER A 97 -13.630 12.134 3.407 1.00 0.00 H new ATOM 0 HG SER A 97 -14.625 13.973 4.410 1.00 0.00 H new ATOM 1429 N SER A 98 -15.885 10.327 6.007 1.00 0.00 N ATOM 1430 CA SER A 98 -17.224 9.755 5.929 1.00 0.00 C ATOM 1431 C SER A 98 -17.928 10.192 4.648 1.00 0.00 C ATOM 1432 O SER A 98 -17.571 11.202 4.043 1.00 0.00 O ATOM 1433 CB SER A 98 -18.052 10.173 7.147 1.00 0.00 C ATOM 1434 OG SER A 98 -18.067 11.583 7.293 1.00 0.00 O ATOM 0 H SER A 98 -15.656 10.744 6.909 1.00 0.00 H new ATOM 0 HA SER A 98 -17.128 8.669 5.918 1.00 0.00 H new ATOM 0 HB2 SER A 98 -19.072 9.804 7.041 1.00 0.00 H new ATOM 0 HB3 SER A 98 -17.639 9.715 8.046 1.00 0.00 H new ATOM 0 HG SER A 98 -18.603 11.825 8.077 1.00 0.00 H new ATOM 1440 N GLY A 99 -18.931 9.421 4.239 1.00 0.00 N ATOM 1441 CA GLY A 99 -19.670 9.743 3.032 1.00 0.00 C ATOM 1442 C GLY A 99 -21.057 10.278 3.326 1.00 0.00 C ATOM 1443 O GLY A 99 -21.507 10.300 4.472 1.00 0.00 O ATOM 0 H GLY A 99 -19.245 8.579 4.722 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -19.114 10.482 2.456 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -19.752 8.851 2.411 1.00 0.00 H new ATOM 1447 N PRO A 100 -21.759 10.723 2.274 1.00 0.00 N ATOM 1448 CA PRO A 100 -23.114 11.270 2.400 1.00 0.00 C ATOM 1449 C PRO A 100 -24.140 10.200 2.757 1.00 0.00 C ATOM 1450 O PRO A 100 -24.174 9.131 2.148 1.00 0.00 O ATOM 1451 CB PRO A 100 -23.397 11.840 1.008 1.00 0.00 C ATOM 1452 CG PRO A 100 -22.524 11.054 0.092 1.00 0.00 C ATOM 1453 CD PRO A 100 -21.286 10.726 0.880 1.00 0.00 C ATOM 0 HA PRO A 100 -23.183 12.008 3.200 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -24.449 11.732 0.742 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -23.164 12.904 0.961 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -23.026 10.146 -0.242 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -22.277 11.629 -0.801 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -20.872 9.759 0.594 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -20.502 11.467 0.723 1.00 0.00 H new ATOM 1461 N SER A 101 -24.976 10.496 3.747 1.00 0.00 N ATOM 1462 CA SER A 101 -26.002 9.557 4.187 1.00 0.00 C ATOM 1463 C SER A 101 -27.357 9.911 3.584 1.00 0.00 C ATOM 1464 O SER A 101 -27.958 9.111 2.867 1.00 0.00 O ATOM 1465 CB SER A 101 -26.096 9.551 5.714 1.00 0.00 C ATOM 1466 OG SER A 101 -26.535 8.292 6.193 1.00 0.00 O ATOM 0 H SER A 101 -24.963 11.378 4.259 1.00 0.00 H new ATOM 0 HA SER A 101 -25.720 8.562 3.843 1.00 0.00 H new ATOM 0 HB2 SER A 101 -25.122 9.787 6.142 1.00 0.00 H new ATOM 0 HB3 SER A 101 -26.785 10.329 6.042 1.00 0.00 H new ATOM 0 HG SER A 101 -26.585 8.314 7.171 1.00 0.00 H new ATOM 1472 N SER A 102 -27.832 11.117 3.879 1.00 0.00 N ATOM 1473 CA SER A 102 -29.119 11.578 3.369 1.00 0.00 C ATOM 1474 C SER A 102 -29.128 11.584 1.844 1.00 0.00 C ATOM 1475 O SER A 102 -28.258 12.179 1.209 1.00 0.00 O ATOM 1476 CB SER A 102 -29.428 12.980 3.898 1.00 0.00 C ATOM 1477 OG SER A 102 -29.570 12.973 5.308 1.00 0.00 O ATOM 0 H SER A 102 -27.345 11.793 4.468 1.00 0.00 H new ATOM 0 HA SER A 102 -29.888 10.888 3.717 1.00 0.00 H new ATOM 0 HB2 SER A 102 -28.628 13.664 3.613 1.00 0.00 H new ATOM 0 HB3 SER A 102 -30.344 13.352 3.439 1.00 0.00 H new ATOM 0 HG SER A 102 -29.765 13.881 5.622 1.00 0.00 H new ATOM 1483 N GLY A 103 -30.119 10.917 1.261 1.00 0.00 N ATOM 1484 CA GLY A 103 -30.224 10.857 -0.185 1.00 0.00 C ATOM 1485 C GLY A 103 -29.064 10.118 -0.820 1.00 0.00 C ATOM 1486 O GLY A 103 -29.248 9.363 -1.775 1.00 0.00 O ATOM 0 H GLY A 103 -30.851 10.417 1.765 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -31.157 10.365 -0.458 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -30.268 11.870 -0.585 1.00 0.00 H new TER 1490 GLY A 103