USER MOD reduce.3.24.130724 H: found=0, std=0, add=686, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 684 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 6 SER OG : rot 180:sc= -0.0365 USER MOD Set 1.2: A 61 SER OG : rot -42:sc= 0.0824 USER MOD Set 2.1: A 44 THR OG1 : rot -83:sc= 0.0839 USER MOD Set 2.2: A 46 ASN : amide:sc= 0.085 X(o=0.17,f=0) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.715 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= -0.428 X(o=-0.43,f=-0.016) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 151:sc= -0.21 (180deg=-1.06) USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= -0.143 K(o=-0.14,f=-2) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 68 MET CE :methyl -116:sc= -1.18 (180deg=-3.27!) USER MOD Single : A 69 ASN : amide:sc= -0.965! C(o=-0.96!,f=-1.2!) USER MOD Single : A 71 GLN : amide:sc= -0.348 X(o=-0.35,f=-0.35) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 CYS SG : rot 180:sc= -0.0889 USER MOD Single : A 75 ASN : amide:sc= -0.0281 K(o=-0.028,f=-1.4!) USER MOD Single : A 79 THR OG1 : rot 37:sc= 0.706 USER MOD Single : A 81 SER OG : rot 180:sc= -0.315 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -3.616 10.147 -13.142 1.00 0.00 N ATOM 2 CA GLY A 1 -2.330 10.271 -12.480 1.00 0.00 C ATOM 3 C GLY A 1 -2.406 9.940 -11.002 1.00 0.00 C ATOM 4 O GLY A 1 -2.622 8.787 -10.628 1.00 0.00 O ATOM 0 H1 GLY A 1 -3.512 10.383 -14.149 1.00 0.00 H new ATOM 0 H2 GLY A 1 -3.961 9.170 -13.049 1.00 0.00 H new ATOM 0 H3 GLY A 1 -4.297 10.798 -12.702 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -1.611 9.608 -12.961 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -1.958 11.288 -12.603 1.00 0.00 H new ATOM 8 N SER A 2 -2.225 10.952 -10.161 1.00 0.00 N ATOM 9 CA SER A 2 -2.268 10.762 -8.716 1.00 0.00 C ATOM 10 C SER A 2 -3.545 11.353 -8.127 1.00 0.00 C ATOM 11 O SER A 2 -4.315 10.660 -7.462 1.00 0.00 O ATOM 12 CB SER A 2 -1.045 11.405 -8.059 1.00 0.00 C ATOM 13 OG SER A 2 -1.258 12.787 -7.829 1.00 0.00 O ATOM 0 H SER A 2 -2.047 11.912 -10.455 1.00 0.00 H new ATOM 0 HA SER A 2 -2.259 9.691 -8.516 1.00 0.00 H new ATOM 0 HB2 SER A 2 -0.830 10.905 -7.115 1.00 0.00 H new ATOM 0 HB3 SER A 2 -0.172 11.270 -8.697 1.00 0.00 H new ATOM 0 HG SER A 2 -0.463 13.175 -7.407 1.00 0.00 H new ATOM 19 N SER A 3 -3.764 12.640 -8.379 1.00 0.00 N ATOM 20 CA SER A 3 -4.946 13.328 -7.872 1.00 0.00 C ATOM 21 C SER A 3 -4.967 13.320 -6.346 1.00 0.00 C ATOM 22 O SER A 3 -5.965 12.951 -5.729 1.00 0.00 O ATOM 23 CB SER A 3 -6.217 12.670 -8.414 1.00 0.00 C ATOM 24 OG SER A 3 -6.589 13.230 -9.661 1.00 0.00 O ATOM 0 H SER A 3 -3.139 13.227 -8.931 1.00 0.00 H new ATOM 0 HA SER A 3 -4.907 14.363 -8.212 1.00 0.00 H new ATOM 0 HB2 SER A 3 -6.055 11.598 -8.527 1.00 0.00 H new ATOM 0 HB3 SER A 3 -7.029 12.796 -7.698 1.00 0.00 H new ATOM 0 HG SER A 3 -7.403 12.792 -9.987 1.00 0.00 H new ATOM 30 N GLY A 4 -3.855 13.730 -5.743 1.00 0.00 N ATOM 31 CA GLY A 4 -3.765 13.762 -4.295 1.00 0.00 C ATOM 32 C GLY A 4 -3.265 12.454 -3.716 1.00 0.00 C ATOM 33 O GLY A 4 -3.864 11.401 -3.935 1.00 0.00 O ATOM 0 H GLY A 4 -3.015 14.040 -6.232 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -3.096 14.568 -3.993 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -4.746 13.989 -3.878 1.00 0.00 H new ATOM 37 N SER A 5 -2.162 12.519 -2.976 1.00 0.00 N ATOM 38 CA SER A 5 -1.578 11.329 -2.368 1.00 0.00 C ATOM 39 C SER A 5 -1.997 11.205 -0.907 1.00 0.00 C ATOM 40 O SER A 5 -1.695 12.071 -0.086 1.00 0.00 O ATOM 41 CB SER A 5 -0.052 11.375 -2.471 1.00 0.00 C ATOM 42 OG SER A 5 0.386 10.946 -3.749 1.00 0.00 O ATOM 0 H SER A 5 -1.655 13.383 -2.783 1.00 0.00 H new ATOM 0 HA SER A 5 -1.945 10.457 -2.909 1.00 0.00 H new ATOM 0 HB2 SER A 5 0.298 12.391 -2.285 1.00 0.00 H new ATOM 0 HB3 SER A 5 0.387 10.741 -1.701 1.00 0.00 H new ATOM 0 HG SER A 5 1.364 10.986 -3.790 1.00 0.00 H new ATOM 48 N SER A 6 -2.696 10.120 -0.588 1.00 0.00 N ATOM 49 CA SER A 6 -3.161 9.882 0.773 1.00 0.00 C ATOM 50 C SER A 6 -2.110 9.127 1.582 1.00 0.00 C ATOM 51 O SER A 6 -1.821 9.478 2.725 1.00 0.00 O ATOM 52 CB SER A 6 -4.472 9.093 0.756 1.00 0.00 C ATOM 53 OG SER A 6 -4.296 7.824 0.150 1.00 0.00 O ATOM 0 H SER A 6 -2.953 9.392 -1.254 1.00 0.00 H new ATOM 0 HA SER A 6 -3.333 10.849 1.246 1.00 0.00 H new ATOM 0 HB2 SER A 6 -4.836 8.965 1.775 1.00 0.00 H new ATOM 0 HB3 SER A 6 -5.232 9.656 0.214 1.00 0.00 H new ATOM 0 HG SER A 6 -5.148 7.339 0.153 1.00 0.00 H new ATOM 59 N GLY A 7 -1.543 8.087 0.979 1.00 0.00 N ATOM 60 CA GLY A 7 -0.531 7.298 1.657 1.00 0.00 C ATOM 61 C GLY A 7 -1.073 6.586 2.879 1.00 0.00 C ATOM 62 O GLY A 7 -1.842 7.161 3.650 1.00 0.00 O ATOM 0 H GLY A 7 -1.766 7.777 0.033 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -0.123 6.563 0.963 1.00 0.00 H new ATOM 0 HA3 GLY A 7 0.293 7.947 1.954 1.00 0.00 H new ATOM 66 N ILE A 8 -0.674 5.331 3.057 1.00 0.00 N ATOM 67 CA ILE A 8 -1.127 4.540 4.194 1.00 0.00 C ATOM 68 C ILE A 8 0.054 3.949 4.957 1.00 0.00 C ATOM 69 O ILE A 8 1.063 3.568 4.363 1.00 0.00 O ATOM 70 CB ILE A 8 -2.060 3.398 3.750 1.00 0.00 C ATOM 71 CG1 ILE A 8 -1.353 2.498 2.734 1.00 0.00 C ATOM 72 CG2 ILE A 8 -3.345 3.962 3.163 1.00 0.00 C ATOM 73 CD1 ILE A 8 -1.900 1.089 2.691 1.00 0.00 C ATOM 0 H ILE A 8 -0.038 4.840 2.428 1.00 0.00 H new ATOM 0 HA ILE A 8 -1.679 5.215 4.848 1.00 0.00 H new ATOM 0 HB ILE A 8 -2.316 2.797 4.623 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -1.441 2.944 1.743 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -0.290 2.459 2.973 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -3.994 3.143 2.854 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -3.855 4.565 3.915 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -3.108 4.583 2.299 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -1.352 0.508 1.949 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -1.787 0.625 3.671 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -2.956 1.117 2.422 1.00 0.00 H new ATOM 85 N PHE A 9 -0.080 3.873 6.277 1.00 0.00 N ATOM 86 CA PHE A 9 0.976 3.328 7.122 1.00 0.00 C ATOM 87 C PHE A 9 0.661 1.890 7.525 1.00 0.00 C ATOM 88 O PHE A 9 -0.439 1.591 7.991 1.00 0.00 O ATOM 89 CB PHE A 9 1.155 4.191 8.372 1.00 0.00 C ATOM 90 CG PHE A 9 2.025 3.557 9.420 1.00 0.00 C ATOM 91 CD1 PHE A 9 3.342 3.229 9.139 1.00 0.00 C ATOM 92 CD2 PHE A 9 1.527 3.290 10.684 1.00 0.00 C ATOM 93 CE1 PHE A 9 4.145 2.645 10.101 1.00 0.00 C ATOM 94 CE2 PHE A 9 2.326 2.707 11.650 1.00 0.00 C ATOM 95 CZ PHE A 9 3.636 2.383 11.357 1.00 0.00 C ATOM 0 H PHE A 9 -0.909 4.182 6.784 1.00 0.00 H new ATOM 0 HA PHE A 9 1.904 3.333 6.550 1.00 0.00 H new ATOM 0 HB2 PHE A 9 1.588 5.149 8.083 1.00 0.00 H new ATOM 0 HB3 PHE A 9 0.176 4.400 8.802 1.00 0.00 H new ATOM 0 HD1 PHE A 9 3.745 3.432 8.158 1.00 0.00 H new ATOM 0 HD2 PHE A 9 0.503 3.540 10.918 1.00 0.00 H new ATOM 0 HE1 PHE A 9 5.170 2.394 9.870 1.00 0.00 H new ATOM 0 HE2 PHE A 9 1.926 2.505 12.633 1.00 0.00 H new ATOM 0 HZ PHE A 9 4.261 1.925 12.109 1.00 0.00 H new ATOM 105 N ILE A 10 1.634 1.004 7.341 1.00 0.00 N ATOM 106 CA ILE A 10 1.462 -0.402 7.686 1.00 0.00 C ATOM 107 C ILE A 10 2.543 -0.867 8.655 1.00 0.00 C ATOM 108 O ILE A 10 3.700 -0.463 8.552 1.00 0.00 O ATOM 109 CB ILE A 10 1.493 -1.296 6.432 1.00 0.00 C ATOM 110 CG1 ILE A 10 0.632 -0.688 5.323 1.00 0.00 C ATOM 111 CG2 ILE A 10 1.016 -2.701 6.771 1.00 0.00 C ATOM 112 CD1 ILE A 10 1.072 -1.083 3.931 1.00 0.00 C ATOM 0 H ILE A 10 2.550 1.235 6.955 1.00 0.00 H new ATOM 0 HA ILE A 10 0.487 -0.493 8.164 1.00 0.00 H new ATOM 0 HB ILE A 10 2.521 -1.359 6.074 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -0.404 -0.995 5.469 1.00 0.00 H new ATOM 0 HG13 ILE A 10 0.657 0.398 5.409 1.00 0.00 H new ATOM 0 HG21 ILE A 10 1.044 -3.321 5.875 1.00 0.00 H new ATOM 0 HG22 ILE A 10 1.667 -3.133 7.531 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -0.005 -2.657 7.150 1.00 0.00 H new ATOM 0 HD11 ILE A 10 0.417 -0.616 3.196 1.00 0.00 H new ATOM 0 HD12 ILE A 10 2.097 -0.752 3.766 1.00 0.00 H new ATOM 0 HD13 ILE A 10 1.020 -2.167 3.827 1.00 0.00 H new ATOM 124 N GLY A 11 2.157 -1.721 9.598 1.00 0.00 N ATOM 125 CA GLY A 11 3.105 -2.229 10.572 1.00 0.00 C ATOM 126 C GLY A 11 2.960 -3.721 10.799 1.00 0.00 C ATOM 127 O GLY A 11 2.055 -4.353 10.257 1.00 0.00 O ATOM 0 H GLY A 11 1.205 -2.070 9.705 1.00 0.00 H new ATOM 0 HA2 GLY A 11 4.119 -2.013 10.235 1.00 0.00 H new ATOM 0 HA3 GLY A 11 2.965 -1.705 11.518 1.00 0.00 H new ATOM 131 N ASN A 12 3.856 -4.285 11.603 1.00 0.00 N ATOM 132 CA ASN A 12 3.825 -5.713 11.899 1.00 0.00 C ATOM 133 C ASN A 12 3.923 -6.536 10.618 1.00 0.00 C ATOM 134 O ASN A 12 3.082 -7.397 10.355 1.00 0.00 O ATOM 135 CB ASN A 12 2.542 -6.071 12.652 1.00 0.00 C ATOM 136 CG ASN A 12 2.715 -7.287 13.542 1.00 0.00 C ATOM 137 OD1 ASN A 12 2.880 -7.163 14.756 1.00 0.00 O ATOM 138 ND2 ASN A 12 2.677 -8.470 12.941 1.00 0.00 N ATOM 0 H ASN A 12 4.612 -3.775 12.061 1.00 0.00 H new ATOM 0 HA ASN A 12 4.684 -5.948 12.527 1.00 0.00 H new ATOM 0 HB2 ASN A 12 2.231 -5.221 13.259 1.00 0.00 H new ATOM 0 HB3 ASN A 12 1.743 -6.260 11.935 1.00 0.00 H new ATOM 0 HD21 ASN A 12 2.787 -9.324 13.488 1.00 0.00 H new ATOM 0 HD22 ASN A 12 2.538 -8.525 11.932 1.00 0.00 H new ATOM 145 N LEU A 13 4.954 -6.266 9.825 1.00 0.00 N ATOM 146 CA LEU A 13 5.163 -6.982 8.571 1.00 0.00 C ATOM 147 C LEU A 13 6.245 -8.046 8.726 1.00 0.00 C ATOM 148 O LEU A 13 7.332 -7.771 9.234 1.00 0.00 O ATOM 149 CB LEU A 13 5.549 -6.004 7.461 1.00 0.00 C ATOM 150 CG LEU A 13 4.391 -5.284 6.768 1.00 0.00 C ATOM 151 CD1 LEU A 13 4.865 -3.974 6.158 1.00 0.00 C ATOM 152 CD2 LEU A 13 3.770 -6.177 5.703 1.00 0.00 C ATOM 0 H LEU A 13 5.658 -5.557 10.028 1.00 0.00 H new ATOM 0 HA LEU A 13 4.229 -7.476 8.303 1.00 0.00 H new ATOM 0 HB2 LEU A 13 6.217 -5.253 7.882 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.116 -6.548 6.706 1.00 0.00 H new ATOM 0 HG LEU A 13 3.629 -5.058 7.514 1.00 0.00 H new ATOM 0 HD11 LEU A 13 4.027 -3.476 5.669 1.00 0.00 H new ATOM 0 HD12 LEU A 13 5.262 -3.330 6.943 1.00 0.00 H new ATOM 0 HD13 LEU A 13 5.645 -4.176 5.424 1.00 0.00 H new ATOM 0 HD21 LEU A 13 2.948 -5.649 5.220 1.00 0.00 H new ATOM 0 HD22 LEU A 13 4.524 -6.434 4.959 1.00 0.00 H new ATOM 0 HD23 LEU A 13 3.393 -7.089 6.167 1.00 0.00 H new ATOM 164 N ASP A 14 5.940 -9.261 8.282 1.00 0.00 N ATOM 165 CA ASP A 14 6.888 -10.366 8.368 1.00 0.00 C ATOM 166 C ASP A 14 8.166 -10.047 7.598 1.00 0.00 C ATOM 167 O ASP A 14 8.138 -9.460 6.516 1.00 0.00 O ATOM 168 CB ASP A 14 6.258 -11.649 7.824 1.00 0.00 C ATOM 169 CG ASP A 14 6.866 -12.897 8.435 1.00 0.00 C ATOM 170 OD1 ASP A 14 6.755 -13.069 9.667 1.00 0.00 O ATOM 171 OD2 ASP A 14 7.451 -13.701 7.681 1.00 0.00 O ATOM 0 H ASP A 14 5.044 -9.505 7.859 1.00 0.00 H new ATOM 0 HA ASP A 14 7.144 -10.512 9.417 1.00 0.00 H new ATOM 0 HB2 ASP A 14 5.186 -11.636 8.022 1.00 0.00 H new ATOM 0 HB3 ASP A 14 6.382 -11.681 6.742 1.00 0.00 H new ATOM 176 N PRO A 15 9.314 -10.441 8.169 1.00 0.00 N ATOM 177 CA PRO A 15 10.624 -10.207 7.554 1.00 0.00 C ATOM 178 C PRO A 15 10.839 -11.056 6.306 1.00 0.00 C ATOM 179 O PRO A 15 11.864 -10.941 5.635 1.00 0.00 O ATOM 180 CB PRO A 15 11.609 -10.613 8.653 1.00 0.00 C ATOM 181 CG PRO A 15 10.859 -11.587 9.493 1.00 0.00 C ATOM 182 CD PRO A 15 9.422 -11.145 9.457 1.00 0.00 C ATOM 0 HA PRO A 15 10.739 -9.176 7.219 1.00 0.00 H new ATOM 0 HB2 PRO A 15 12.508 -11.063 8.232 1.00 0.00 H new ATOM 0 HB3 PRO A 15 11.928 -9.750 9.237 1.00 0.00 H new ATOM 0 HG2 PRO A 15 10.965 -12.600 9.105 1.00 0.00 H new ATOM 0 HG3 PRO A 15 11.239 -11.595 10.514 1.00 0.00 H new ATOM 0 HD2 PRO A 15 8.739 -11.993 9.510 1.00 0.00 H new ATOM 0 HD3 PRO A 15 9.182 -10.490 10.294 1.00 0.00 H new ATOM 190 N GLU A 16 9.865 -11.908 6.001 1.00 0.00 N ATOM 191 CA GLU A 16 9.950 -12.777 4.832 1.00 0.00 C ATOM 192 C GLU A 16 9.257 -12.141 3.631 1.00 0.00 C ATOM 193 O GLU A 16 9.275 -12.690 2.528 1.00 0.00 O ATOM 194 CB GLU A 16 9.322 -14.139 5.136 1.00 0.00 C ATOM 195 CG GLU A 16 7.833 -14.202 4.837 1.00 0.00 C ATOM 196 CD GLU A 16 7.227 -15.549 5.180 1.00 0.00 C ATOM 197 OE1 GLU A 16 6.968 -15.795 6.377 1.00 0.00 O ATOM 198 OE2 GLU A 16 7.011 -16.357 4.253 1.00 0.00 O ATOM 0 H GLU A 16 9.009 -12.015 6.546 1.00 0.00 H new ATOM 0 HA GLU A 16 11.003 -12.917 4.589 1.00 0.00 H new ATOM 0 HB2 GLU A 16 9.834 -14.904 4.553 1.00 0.00 H new ATOM 0 HB3 GLU A 16 9.484 -14.378 6.187 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.320 -13.423 5.400 1.00 0.00 H new ATOM 0 HG3 GLU A 16 7.669 -13.992 3.780 1.00 0.00 H new ATOM 205 N ILE A 17 8.646 -10.982 3.852 1.00 0.00 N ATOM 206 CA ILE A 17 7.948 -10.271 2.788 1.00 0.00 C ATOM 207 C ILE A 17 8.884 -9.312 2.061 1.00 0.00 C ATOM 208 O ILE A 17 9.887 -8.866 2.618 1.00 0.00 O ATOM 209 CB ILE A 17 6.744 -9.481 3.335 1.00 0.00 C ATOM 210 CG1 ILE A 17 5.867 -10.382 4.206 1.00 0.00 C ATOM 211 CG2 ILE A 17 5.934 -8.890 2.190 1.00 0.00 C ATOM 212 CD1 ILE A 17 4.929 -9.618 5.113 1.00 0.00 C ATOM 0 H ILE A 17 8.620 -10.515 4.759 1.00 0.00 H new ATOM 0 HA ILE A 17 7.589 -11.025 2.087 1.00 0.00 H new ATOM 0 HB ILE A 17 7.115 -8.663 3.952 1.00 0.00 H new ATOM 0 HG12 ILE A 17 5.282 -11.038 3.562 1.00 0.00 H new ATOM 0 HG13 ILE A 17 6.508 -11.021 4.814 1.00 0.00 H new ATOM 0 HG21 ILE A 17 5.087 -8.335 2.592 1.00 0.00 H new ATOM 0 HG22 ILE A 17 6.564 -8.218 1.607 1.00 0.00 H new ATOM 0 HG23 ILE A 17 5.570 -9.693 1.549 1.00 0.00 H new ATOM 0 HD11 ILE A 17 4.338 -10.321 5.701 1.00 0.00 H new ATOM 0 HD12 ILE A 17 5.508 -8.982 5.782 1.00 0.00 H new ATOM 0 HD13 ILE A 17 4.263 -9.000 4.511 1.00 0.00 H new ATOM 224 N ASP A 18 8.548 -8.998 0.815 1.00 0.00 N ATOM 225 CA ASP A 18 9.357 -8.088 0.011 1.00 0.00 C ATOM 226 C ASP A 18 8.477 -7.081 -0.722 1.00 0.00 C ATOM 227 O ASP A 18 7.273 -7.287 -0.869 1.00 0.00 O ATOM 228 CB ASP A 18 10.200 -8.875 -0.994 1.00 0.00 C ATOM 229 CG ASP A 18 11.275 -9.707 -0.323 1.00 0.00 C ATOM 230 OD1 ASP A 18 12.154 -9.119 0.341 1.00 0.00 O ATOM 231 OD2 ASP A 18 11.236 -10.948 -0.460 1.00 0.00 O ATOM 0 H ASP A 18 7.721 -9.360 0.339 1.00 0.00 H new ATOM 0 HA ASP A 18 10.020 -7.542 0.682 1.00 0.00 H new ATOM 0 HB2 ASP A 18 9.550 -9.528 -1.576 1.00 0.00 H new ATOM 0 HB3 ASP A 18 10.666 -8.182 -1.695 1.00 0.00 H new ATOM 236 N GLU A 19 9.087 -5.992 -1.179 1.00 0.00 N ATOM 237 CA GLU A 19 8.357 -4.952 -1.895 1.00 0.00 C ATOM 238 C GLU A 19 7.459 -5.559 -2.969 1.00 0.00 C ATOM 239 O GLU A 19 6.297 -5.180 -3.111 1.00 0.00 O ATOM 240 CB GLU A 19 9.332 -3.959 -2.530 1.00 0.00 C ATOM 241 CG GLU A 19 10.272 -3.305 -1.532 1.00 0.00 C ATOM 242 CD GLU A 19 9.573 -2.284 -0.654 1.00 0.00 C ATOM 243 OE1 GLU A 19 8.382 -2.490 -0.339 1.00 0.00 O ATOM 244 OE2 GLU A 19 10.216 -1.280 -0.283 1.00 0.00 O ATOM 0 H GLU A 19 10.084 -5.807 -1.066 1.00 0.00 H new ATOM 0 HA GLU A 19 7.729 -4.424 -1.177 1.00 0.00 H new ATOM 0 HB2 GLU A 19 9.922 -4.476 -3.287 1.00 0.00 H new ATOM 0 HB3 GLU A 19 8.764 -3.183 -3.043 1.00 0.00 H new ATOM 0 HG2 GLU A 19 10.720 -4.074 -0.903 1.00 0.00 H new ATOM 0 HG3 GLU A 19 11.086 -2.819 -2.070 1.00 0.00 H new ATOM 251 N LYS A 20 8.008 -6.504 -3.725 1.00 0.00 N ATOM 252 CA LYS A 20 7.259 -7.166 -4.787 1.00 0.00 C ATOM 253 C LYS A 20 5.943 -7.727 -4.257 1.00 0.00 C ATOM 254 O LYS A 20 4.877 -7.477 -4.821 1.00 0.00 O ATOM 255 CB LYS A 20 8.094 -8.290 -5.403 1.00 0.00 C ATOM 256 CG LYS A 20 9.275 -7.794 -6.219 1.00 0.00 C ATOM 257 CD LYS A 20 8.850 -7.372 -7.616 1.00 0.00 C ATOM 258 CE LYS A 20 9.961 -6.618 -8.332 1.00 0.00 C ATOM 259 NZ LYS A 20 9.426 -5.721 -9.394 1.00 0.00 N ATOM 0 H LYS A 20 8.969 -6.829 -3.622 1.00 0.00 H new ATOM 0 HA LYS A 20 7.034 -6.426 -5.555 1.00 0.00 H new ATOM 0 HB2 LYS A 20 8.460 -8.938 -4.606 1.00 0.00 H new ATOM 0 HB3 LYS A 20 7.453 -8.900 -6.040 1.00 0.00 H new ATOM 0 HG2 LYS A 20 9.742 -6.951 -5.710 1.00 0.00 H new ATOM 0 HG3 LYS A 20 10.026 -8.581 -6.288 1.00 0.00 H new ATOM 0 HD2 LYS A 20 8.575 -8.253 -8.196 1.00 0.00 H new ATOM 0 HD3 LYS A 20 7.963 -6.742 -7.553 1.00 0.00 H new ATOM 0 HE2 LYS A 20 10.525 -6.029 -7.609 1.00 0.00 H new ATOM 0 HE3 LYS A 20 10.657 -7.331 -8.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 10.213 -5.225 -9.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 8.909 -6.286 -10.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 8.781 -5.025 -8.968 1.00 0.00 H new ATOM 273 N LEU A 21 6.025 -8.485 -3.169 1.00 0.00 N ATOM 274 CA LEU A 21 4.840 -9.081 -2.561 1.00 0.00 C ATOM 275 C LEU A 21 3.865 -8.003 -2.098 1.00 0.00 C ATOM 276 O LEU A 21 2.757 -7.886 -2.622 1.00 0.00 O ATOM 277 CB LEU A 21 5.239 -9.966 -1.379 1.00 0.00 C ATOM 278 CG LEU A 21 4.198 -10.990 -0.926 1.00 0.00 C ATOM 279 CD1 LEU A 21 3.977 -12.040 -2.004 1.00 0.00 C ATOM 280 CD2 LEU A 21 4.627 -11.645 0.379 1.00 0.00 C ATOM 0 H LEU A 21 6.899 -8.701 -2.690 1.00 0.00 H new ATOM 0 HA LEU A 21 4.345 -9.694 -3.314 1.00 0.00 H new ATOM 0 HB2 LEU A 21 6.153 -10.499 -1.642 1.00 0.00 H new ATOM 0 HB3 LEU A 21 5.478 -9.322 -0.533 1.00 0.00 H new ATOM 0 HG LEU A 21 3.255 -10.470 -0.756 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.233 -12.760 -1.663 1.00 0.00 H new ATOM 0 HD12 LEU A 21 3.624 -11.557 -2.915 1.00 0.00 H new ATOM 0 HD13 LEU A 21 4.915 -12.556 -2.207 1.00 0.00 H new ATOM 0 HD21 LEU A 21 3.874 -12.371 0.686 1.00 0.00 H new ATOM 0 HD22 LEU A 21 5.582 -12.151 0.236 1.00 0.00 H new ATOM 0 HD23 LEU A 21 4.733 -10.883 1.151 1.00 0.00 H new ATOM 292 N LEU A 22 4.286 -7.216 -1.114 1.00 0.00 N ATOM 293 CA LEU A 22 3.451 -6.145 -0.580 1.00 0.00 C ATOM 294 C LEU A 22 2.670 -5.458 -1.695 1.00 0.00 C ATOM 295 O LEU A 22 1.484 -5.160 -1.544 1.00 0.00 O ATOM 296 CB LEU A 22 4.313 -5.121 0.160 1.00 0.00 C ATOM 297 CG LEU A 22 4.716 -5.491 1.588 1.00 0.00 C ATOM 298 CD1 LEU A 22 5.873 -4.623 2.058 1.00 0.00 C ATOM 299 CD2 LEU A 22 3.529 -5.354 2.530 1.00 0.00 C ATOM 0 H LEU A 22 5.200 -7.299 -0.670 1.00 0.00 H new ATOM 0 HA LEU A 22 2.740 -6.585 0.119 1.00 0.00 H new ATOM 0 HB2 LEU A 22 5.220 -4.952 -0.420 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.773 -4.175 0.190 1.00 0.00 H new ATOM 0 HG LEU A 22 5.042 -6.531 1.595 1.00 0.00 H new ATOM 0 HD11 LEU A 22 6.146 -4.901 3.076 1.00 0.00 H new ATOM 0 HD12 LEU A 22 6.729 -4.770 1.400 1.00 0.00 H new ATOM 0 HD13 LEU A 22 5.574 -3.575 2.035 1.00 0.00 H new ATOM 0 HD21 LEU A 22 3.835 -5.621 3.542 1.00 0.00 H new ATOM 0 HD22 LEU A 22 3.173 -4.324 2.519 1.00 0.00 H new ATOM 0 HD23 LEU A 22 2.728 -6.018 2.205 1.00 0.00 H new ATOM 311 N TYR A 23 3.340 -5.210 -2.815 1.00 0.00 N ATOM 312 CA TYR A 23 2.709 -4.557 -3.956 1.00 0.00 C ATOM 313 C TYR A 23 1.458 -5.314 -4.392 1.00 0.00 C ATOM 314 O TYR A 23 0.356 -4.764 -4.395 1.00 0.00 O ATOM 315 CB TYR A 23 3.692 -4.460 -5.123 1.00 0.00 C ATOM 316 CG TYR A 23 3.087 -3.873 -6.378 1.00 0.00 C ATOM 317 CD1 TYR A 23 2.241 -4.626 -7.182 1.00 0.00 C ATOM 318 CD2 TYR A 23 3.361 -2.565 -6.759 1.00 0.00 C ATOM 319 CE1 TYR A 23 1.685 -4.094 -8.330 1.00 0.00 C ATOM 320 CE2 TYR A 23 2.809 -2.025 -7.905 1.00 0.00 C ATOM 321 CZ TYR A 23 1.972 -2.793 -8.687 1.00 0.00 C ATOM 322 OH TYR A 23 1.422 -2.259 -9.829 1.00 0.00 O ATOM 0 H TYR A 23 4.321 -5.452 -2.957 1.00 0.00 H new ATOM 0 HA TYR A 23 2.417 -3.552 -3.652 1.00 0.00 H new ATOM 0 HB2 TYR A 23 4.543 -3.850 -4.820 1.00 0.00 H new ATOM 0 HB3 TYR A 23 4.077 -5.455 -5.346 1.00 0.00 H new ATOM 0 HD1 TYR A 23 2.014 -5.645 -6.905 1.00 0.00 H new ATOM 0 HD2 TYR A 23 4.016 -1.960 -6.149 1.00 0.00 H new ATOM 0 HE1 TYR A 23 1.029 -4.694 -8.944 1.00 0.00 H new ATOM 0 HE2 TYR A 23 3.032 -1.007 -8.187 1.00 0.00 H new ATOM 0 HH TYR A 23 1.724 -1.333 -9.935 1.00 0.00 H new ATOM 332 N ASP A 24 1.637 -6.578 -4.759 1.00 0.00 N ATOM 333 CA ASP A 24 0.523 -7.412 -5.196 1.00 0.00 C ATOM 334 C ASP A 24 -0.495 -7.590 -4.074 1.00 0.00 C ATOM 335 O ASP A 24 -1.696 -7.403 -4.274 1.00 0.00 O ATOM 336 CB ASP A 24 1.033 -8.777 -5.661 1.00 0.00 C ATOM 337 CG ASP A 24 -0.083 -9.668 -6.172 1.00 0.00 C ATOM 338 OD1 ASP A 24 -0.721 -10.351 -5.345 1.00 0.00 O ATOM 339 OD2 ASP A 24 -0.316 -9.683 -7.399 1.00 0.00 O ATOM 0 H ASP A 24 2.542 -7.048 -4.763 1.00 0.00 H new ATOM 0 HA ASP A 24 0.032 -6.912 -6.031 1.00 0.00 H new ATOM 0 HB2 ASP A 24 1.772 -8.636 -6.450 1.00 0.00 H new ATOM 0 HB3 ASP A 24 1.541 -9.273 -4.834 1.00 0.00 H new ATOM 344 N THR A 25 -0.008 -7.955 -2.892 1.00 0.00 N ATOM 345 CA THR A 25 -0.875 -8.161 -1.739 1.00 0.00 C ATOM 346 C THR A 25 -1.855 -7.006 -1.574 1.00 0.00 C ATOM 347 O THR A 25 -3.027 -7.213 -1.258 1.00 0.00 O ATOM 348 CB THR A 25 -0.058 -8.315 -0.442 1.00 0.00 C ATOM 349 OG1 THR A 25 0.599 -9.587 -0.425 1.00 0.00 O ATOM 350 CG2 THR A 25 -0.953 -8.185 0.780 1.00 0.00 C ATOM 0 H THR A 25 0.983 -8.114 -2.708 1.00 0.00 H new ATOM 0 HA THR A 25 -1.430 -9.081 -1.922 1.00 0.00 H new ATOM 0 HB THR A 25 0.688 -7.521 -0.412 1.00 0.00 H new ATOM 0 HG1 THR A 25 1.118 -9.676 0.402 1.00 0.00 H new ATOM 0 HG21 THR A 25 -0.354 -8.297 1.684 1.00 0.00 H new ATOM 0 HG22 THR A 25 -1.429 -7.204 0.780 1.00 0.00 H new ATOM 0 HG23 THR A 25 -1.719 -8.960 0.754 1.00 0.00 H new ATOM 358 N PHE A 26 -1.369 -5.788 -1.791 1.00 0.00 N ATOM 359 CA PHE A 26 -2.203 -4.598 -1.667 1.00 0.00 C ATOM 360 C PHE A 26 -2.738 -4.164 -3.028 1.00 0.00 C ATOM 361 O PHE A 26 -3.588 -3.278 -3.119 1.00 0.00 O ATOM 362 CB PHE A 26 -1.408 -3.456 -1.031 1.00 0.00 C ATOM 363 CG PHE A 26 -1.165 -3.641 0.440 1.00 0.00 C ATOM 364 CD1 PHE A 26 -0.418 -4.711 0.903 1.00 0.00 C ATOM 365 CD2 PHE A 26 -1.686 -2.744 1.359 1.00 0.00 C ATOM 366 CE1 PHE A 26 -0.192 -4.884 2.256 1.00 0.00 C ATOM 367 CE2 PHE A 26 -1.463 -2.911 2.713 1.00 0.00 C ATOM 368 CZ PHE A 26 -0.717 -3.983 3.162 1.00 0.00 C ATOM 0 H PHE A 26 -0.402 -5.599 -2.054 1.00 0.00 H new ATOM 0 HA PHE A 26 -3.049 -4.844 -1.025 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -0.449 -3.364 -1.541 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -1.944 -2.520 -1.188 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -0.007 -5.419 0.199 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -2.273 -1.905 1.014 1.00 0.00 H new ATOM 0 HE1 PHE A 26 0.394 -5.722 2.604 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -1.872 -2.204 3.419 1.00 0.00 H new ATOM 0 HZ PHE A 26 -0.544 -4.117 4.220 1.00 0.00 H new ATOM 378 N SER A 27 -2.234 -4.795 -4.084 1.00 0.00 N ATOM 379 CA SER A 27 -2.658 -4.472 -5.441 1.00 0.00 C ATOM 380 C SER A 27 -4.109 -4.882 -5.670 1.00 0.00 C ATOM 381 O SER A 27 -4.900 -4.122 -6.227 1.00 0.00 O ATOM 382 CB SER A 27 -1.752 -5.168 -6.460 1.00 0.00 C ATOM 383 OG SER A 27 -2.135 -4.846 -7.786 1.00 0.00 O ATOM 0 H SER A 27 -1.532 -5.533 -4.026 1.00 0.00 H new ATOM 0 HA SER A 27 -2.579 -3.393 -5.572 1.00 0.00 H new ATOM 0 HB2 SER A 27 -0.717 -4.870 -6.294 1.00 0.00 H new ATOM 0 HB3 SER A 27 -1.800 -6.247 -6.316 1.00 0.00 H new ATOM 0 HG SER A 27 -1.540 -5.301 -8.418 1.00 0.00 H new ATOM 389 N ALA A 28 -4.451 -6.091 -5.236 1.00 0.00 N ATOM 390 CA ALA A 28 -5.807 -6.603 -5.391 1.00 0.00 C ATOM 391 C ALA A 28 -6.840 -5.522 -5.090 1.00 0.00 C ATOM 392 O ALA A 28 -7.673 -5.193 -5.934 1.00 0.00 O ATOM 393 CB ALA A 28 -6.022 -7.808 -4.487 1.00 0.00 C ATOM 0 H ALA A 28 -3.808 -6.734 -4.774 1.00 0.00 H new ATOM 0 HA ALA A 28 -5.936 -6.913 -6.428 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -7.039 -8.180 -4.613 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -5.313 -8.592 -4.752 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -5.869 -7.516 -3.448 1.00 0.00 H new ATOM 399 N PHE A 29 -6.780 -4.974 -3.881 1.00 0.00 N ATOM 400 CA PHE A 29 -7.712 -3.931 -3.468 1.00 0.00 C ATOM 401 C PHE A 29 -7.737 -2.791 -4.482 1.00 0.00 C ATOM 402 O PHE A 29 -8.734 -2.581 -5.172 1.00 0.00 O ATOM 403 CB PHE A 29 -7.328 -3.392 -2.088 1.00 0.00 C ATOM 404 CG PHE A 29 -7.208 -4.460 -1.039 1.00 0.00 C ATOM 405 CD1 PHE A 29 -8.330 -5.142 -0.595 1.00 0.00 C ATOM 406 CD2 PHE A 29 -5.975 -4.783 -0.497 1.00 0.00 C ATOM 407 CE1 PHE A 29 -8.223 -6.125 0.370 1.00 0.00 C ATOM 408 CE2 PHE A 29 -5.861 -5.765 0.468 1.00 0.00 C ATOM 409 CZ PHE A 29 -6.987 -6.438 0.902 1.00 0.00 C ATOM 0 H PHE A 29 -6.096 -5.235 -3.170 1.00 0.00 H new ATOM 0 HA PHE A 29 -8.709 -4.369 -3.415 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -6.379 -2.862 -2.165 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -8.075 -2.664 -1.770 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -9.299 -4.902 -1.008 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -5.092 -4.261 -0.833 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -9.105 -6.648 0.708 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -4.893 -6.006 0.882 1.00 0.00 H new ATOM 0 HZ PHE A 29 -6.901 -7.207 1.655 1.00 0.00 H new ATOM 419 N GLY A 30 -6.632 -2.057 -4.567 1.00 0.00 N ATOM 420 CA GLY A 30 -6.547 -0.947 -5.498 1.00 0.00 C ATOM 421 C GLY A 30 -5.198 -0.867 -6.184 1.00 0.00 C ATOM 422 O GLY A 30 -4.318 -1.692 -5.938 1.00 0.00 O ATOM 0 H GLY A 30 -5.793 -2.211 -4.007 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -7.329 -1.048 -6.251 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -6.736 -0.015 -4.965 1.00 0.00 H new ATOM 426 N VAL A 31 -5.033 0.130 -7.048 1.00 0.00 N ATOM 427 CA VAL A 31 -3.781 0.314 -7.772 1.00 0.00 C ATOM 428 C VAL A 31 -2.811 1.182 -6.979 1.00 0.00 C ATOM 429 O VAL A 31 -3.191 2.220 -6.436 1.00 0.00 O ATOM 430 CB VAL A 31 -4.020 0.959 -9.150 1.00 0.00 C ATOM 431 CG1 VAL A 31 -2.703 1.149 -9.887 1.00 0.00 C ATOM 432 CG2 VAL A 31 -4.983 0.117 -9.973 1.00 0.00 C ATOM 0 H VAL A 31 -5.751 0.822 -7.263 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.347 -0.676 -7.912 1.00 0.00 H new ATOM 0 HB VAL A 31 -4.469 1.940 -8.998 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -2.892 1.606 -10.858 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -2.049 1.796 -9.303 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.222 0.181 -10.029 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -5.140 0.588 -10.943 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -4.564 -0.879 -10.117 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -5.936 0.038 -9.450 1.00 0.00 H new ATOM 442 N ILE A 32 -1.555 0.750 -6.916 1.00 0.00 N ATOM 443 CA ILE A 32 -0.530 1.489 -6.190 1.00 0.00 C ATOM 444 C ILE A 32 0.065 2.597 -7.053 1.00 0.00 C ATOM 445 O ILE A 32 0.146 2.470 -8.276 1.00 0.00 O ATOM 446 CB ILE A 32 0.603 0.559 -5.716 1.00 0.00 C ATOM 447 CG1 ILE A 32 0.084 -0.414 -4.655 1.00 0.00 C ATOM 448 CG2 ILE A 32 1.765 1.376 -5.170 1.00 0.00 C ATOM 449 CD1 ILE A 32 0.969 -1.625 -4.462 1.00 0.00 C ATOM 0 H ILE A 32 -1.224 -0.107 -7.359 1.00 0.00 H new ATOM 0 HA ILE A 32 -1.016 1.931 -5.320 1.00 0.00 H new ATOM 0 HB ILE A 32 0.959 -0.019 -6.569 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -0.010 0.113 -3.705 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -0.916 -0.746 -4.936 1.00 0.00 H new ATOM 0 HG21 ILE A 32 2.558 0.705 -4.839 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.148 2.032 -5.952 1.00 0.00 H new ATOM 0 HG23 ILE A 32 1.423 1.977 -4.327 1.00 0.00 H new ATOM 0 HD11 ILE A 32 0.540 -2.271 -3.696 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.043 -2.175 -5.400 1.00 0.00 H new ATOM 0 HD13 ILE A 32 1.963 -1.303 -4.151 1.00 0.00 H new ATOM 461 N LEU A 33 0.480 3.682 -6.409 1.00 0.00 N ATOM 462 CA LEU A 33 1.069 4.813 -7.118 1.00 0.00 C ATOM 463 C LEU A 33 2.508 4.511 -7.524 1.00 0.00 C ATOM 464 O LEU A 33 2.870 4.630 -8.694 1.00 0.00 O ATOM 465 CB LEU A 33 1.027 6.066 -6.242 1.00 0.00 C ATOM 466 CG LEU A 33 -0.314 6.800 -6.185 1.00 0.00 C ATOM 467 CD1 LEU A 33 -0.168 8.122 -5.447 1.00 0.00 C ATOM 468 CD2 LEU A 33 -0.858 7.027 -7.587 1.00 0.00 C ATOM 0 H LEU A 33 0.420 3.803 -5.398 1.00 0.00 H new ATOM 0 HA LEU A 33 0.485 4.988 -8.022 1.00 0.00 H new ATOM 0 HB2 LEU A 33 1.308 5.785 -5.227 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.785 6.762 -6.602 1.00 0.00 H new ATOM 0 HG LEU A 33 -1.023 6.179 -5.638 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.132 8.630 -5.416 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.176 7.935 -4.430 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.557 8.750 -5.965 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.812 7.550 -7.527 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.150 7.627 -8.159 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.002 6.066 -8.082 1.00 0.00 H new ATOM 480 N GLN A 34 3.323 4.118 -6.550 1.00 0.00 N ATOM 481 CA GLN A 34 4.722 3.798 -6.807 1.00 0.00 C ATOM 482 C GLN A 34 5.211 2.702 -5.866 1.00 0.00 C ATOM 483 O GLN A 34 4.621 2.464 -4.812 1.00 0.00 O ATOM 484 CB GLN A 34 5.590 5.047 -6.649 1.00 0.00 C ATOM 485 CG GLN A 34 5.118 6.226 -7.486 1.00 0.00 C ATOM 486 CD GLN A 34 5.903 7.492 -7.205 1.00 0.00 C ATOM 487 OE1 GLN A 34 5.769 8.097 -6.141 1.00 0.00 O ATOM 488 NE2 GLN A 34 6.730 7.900 -8.161 1.00 0.00 N ATOM 0 H GLN A 34 3.038 4.014 -5.576 1.00 0.00 H new ATOM 0 HA GLN A 34 4.803 3.435 -7.832 1.00 0.00 H new ATOM 0 HB2 GLN A 34 5.603 5.340 -5.599 1.00 0.00 H new ATOM 0 HB3 GLN A 34 6.616 4.804 -6.925 1.00 0.00 H new ATOM 0 HG2 GLN A 34 5.207 5.975 -8.543 1.00 0.00 H new ATOM 0 HG3 GLN A 34 4.061 6.407 -7.289 1.00 0.00 H new ATOM 0 HE21 GLN A 34 6.810 7.368 -9.028 1.00 0.00 H new ATOM 0 HE22 GLN A 34 7.285 8.745 -8.029 1.00 0.00 H new ATOM 497 N THR A 35 6.294 2.036 -6.254 1.00 0.00 N ATOM 498 CA THR A 35 6.863 0.964 -5.446 1.00 0.00 C ATOM 499 C THR A 35 6.819 1.312 -3.962 1.00 0.00 C ATOM 500 O THR A 35 7.149 2.424 -3.550 1.00 0.00 O ATOM 501 CB THR A 35 8.319 0.668 -5.850 1.00 0.00 C ATOM 502 OG1 THR A 35 8.384 0.333 -7.240 1.00 0.00 O ATOM 503 CG2 THR A 35 8.889 -0.473 -5.021 1.00 0.00 C ATOM 0 H THR A 35 6.795 2.220 -7.123 1.00 0.00 H new ATOM 0 HA THR A 35 6.257 0.076 -5.626 1.00 0.00 H new ATOM 0 HB THR A 35 8.913 1.563 -5.665 1.00 0.00 H new ATOM 0 HG1 THR A 35 9.314 0.148 -7.489 1.00 0.00 H new ATOM 0 HG21 THR A 35 9.918 -0.664 -5.324 1.00 0.00 H new ATOM 0 HG22 THR A 35 8.866 -0.203 -3.965 1.00 0.00 H new ATOM 0 HG23 THR A 35 8.292 -1.371 -5.179 1.00 0.00 H new ATOM 511 N PRO A 36 6.403 0.339 -3.138 1.00 0.00 N ATOM 512 CA PRO A 36 6.308 0.519 -1.686 1.00 0.00 C ATOM 513 C PRO A 36 7.677 0.628 -1.024 1.00 0.00 C ATOM 514 O PRO A 36 8.679 0.160 -1.566 1.00 0.00 O ATOM 515 CB PRO A 36 5.587 -0.749 -1.218 1.00 0.00 C ATOM 516 CG PRO A 36 5.894 -1.766 -2.263 1.00 0.00 C ATOM 517 CD PRO A 36 5.993 -1.011 -3.559 1.00 0.00 C ATOM 0 HA PRO A 36 5.791 1.442 -1.423 1.00 0.00 H new ATOM 0 HB2 PRO A 36 5.943 -1.068 -0.238 1.00 0.00 H new ATOM 0 HB3 PRO A 36 4.513 -0.584 -1.129 1.00 0.00 H new ATOM 0 HG2 PRO A 36 6.827 -2.284 -2.041 1.00 0.00 H new ATOM 0 HG3 PRO A 36 5.112 -2.524 -2.312 1.00 0.00 H new ATOM 0 HD2 PRO A 36 6.723 -1.461 -4.231 1.00 0.00 H new ATOM 0 HD3 PRO A 36 5.040 -0.995 -4.088 1.00 0.00 H new ATOM 525 N LYS A 37 7.714 1.247 0.150 1.00 0.00 N ATOM 526 CA LYS A 37 8.960 1.417 0.888 1.00 0.00 C ATOM 527 C LYS A 37 8.889 0.721 2.243 1.00 0.00 C ATOM 528 O LYS A 37 7.884 0.815 2.948 1.00 0.00 O ATOM 529 CB LYS A 37 9.263 2.904 1.082 1.00 0.00 C ATOM 530 CG LYS A 37 9.930 3.551 -0.119 1.00 0.00 C ATOM 531 CD LYS A 37 11.424 3.272 -0.146 1.00 0.00 C ATOM 532 CE LYS A 37 12.186 4.382 -0.853 1.00 0.00 C ATOM 533 NZ LYS A 37 11.967 5.705 -0.205 1.00 0.00 N ATOM 0 H LYS A 37 6.894 1.640 0.612 1.00 0.00 H new ATOM 0 HA LYS A 37 9.762 0.962 0.307 1.00 0.00 H new ATOM 0 HB2 LYS A 37 8.333 3.430 1.298 1.00 0.00 H new ATOM 0 HB3 LYS A 37 9.907 3.024 1.953 1.00 0.00 H new ATOM 0 HG2 LYS A 37 9.473 3.177 -1.035 1.00 0.00 H new ATOM 0 HG3 LYS A 37 9.761 4.627 -0.094 1.00 0.00 H new ATOM 0 HD2 LYS A 37 11.794 3.168 0.874 1.00 0.00 H new ATOM 0 HD3 LYS A 37 11.609 2.324 -0.651 1.00 0.00 H new ATOM 0 HE2 LYS A 37 13.251 4.149 -0.852 1.00 0.00 H new ATOM 0 HE3 LYS A 37 11.871 4.432 -1.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 12.804 6.305 -0.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 11.134 6.164 -0.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 11.810 5.571 0.814 1.00 0.00 H new ATOM 547 N ILE A 38 9.962 0.024 2.602 1.00 0.00 N ATOM 548 CA ILE A 38 10.021 -0.686 3.874 1.00 0.00 C ATOM 549 C ILE A 38 11.181 -0.186 4.728 1.00 0.00 C ATOM 550 O ILE A 38 12.311 -0.070 4.253 1.00 0.00 O ATOM 551 CB ILE A 38 10.169 -2.204 3.665 1.00 0.00 C ATOM 552 CG1 ILE A 38 9.025 -2.736 2.799 1.00 0.00 C ATOM 553 CG2 ILE A 38 10.204 -2.922 5.006 1.00 0.00 C ATOM 554 CD1 ILE A 38 9.295 -4.105 2.216 1.00 0.00 C ATOM 0 H ILE A 38 10.802 -0.064 2.030 1.00 0.00 H new ATOM 0 HA ILE A 38 9.081 -0.489 4.390 1.00 0.00 H new ATOM 0 HB ILE A 38 11.109 -2.395 3.148 1.00 0.00 H new ATOM 0 HG12 ILE A 38 8.116 -2.778 3.398 1.00 0.00 H new ATOM 0 HG13 ILE A 38 8.839 -2.034 1.986 1.00 0.00 H new ATOM 0 HG21 ILE A 38 10.309 -3.994 4.842 1.00 0.00 H new ATOM 0 HG22 ILE A 38 11.050 -2.560 5.591 1.00 0.00 H new ATOM 0 HG23 ILE A 38 9.278 -2.727 5.548 1.00 0.00 H new ATOM 0 HD11 ILE A 38 8.442 -4.419 1.614 1.00 0.00 H new ATOM 0 HD12 ILE A 38 10.186 -4.064 1.589 1.00 0.00 H new ATOM 0 HD13 ILE A 38 9.452 -4.820 3.024 1.00 0.00 H new ATOM 566 N MET A 39 10.895 0.107 5.993 1.00 0.00 N ATOM 567 CA MET A 39 11.915 0.592 6.915 1.00 0.00 C ATOM 568 C MET A 39 12.814 -0.550 7.379 1.00 0.00 C ATOM 569 O MET A 39 12.331 -1.613 7.769 1.00 0.00 O ATOM 570 CB MET A 39 11.263 1.266 8.123 1.00 0.00 C ATOM 571 CG MET A 39 10.918 2.728 7.890 1.00 0.00 C ATOM 572 SD MET A 39 9.289 2.949 7.150 1.00 0.00 S ATOM 573 CE MET A 39 9.733 3.602 5.543 1.00 0.00 C ATOM 0 H MET A 39 9.965 0.017 6.402 1.00 0.00 H new ATOM 0 HA MET A 39 12.528 1.323 6.388 1.00 0.00 H new ATOM 0 HB2 MET A 39 10.354 0.724 8.385 1.00 0.00 H new ATOM 0 HB3 MET A 39 11.936 1.192 8.977 1.00 0.00 H new ATOM 0 HG2 MET A 39 10.957 3.262 8.839 1.00 0.00 H new ATOM 0 HG3 MET A 39 11.671 3.176 7.241 1.00 0.00 H new ATOM 0 HE1 MET A 39 8.829 3.791 4.964 1.00 0.00 H new ATOM 0 HE2 MET A 39 10.285 4.534 5.669 1.00 0.00 H new ATOM 0 HE3 MET A 39 10.356 2.879 5.016 1.00 0.00 H new ATOM 583 N ARG A 40 14.123 -0.322 7.335 1.00 0.00 N ATOM 584 CA ARG A 40 15.088 -1.333 7.750 1.00 0.00 C ATOM 585 C ARG A 40 15.954 -0.819 8.897 1.00 0.00 C ATOM 586 O ARG A 40 16.475 0.295 8.843 1.00 0.00 O ATOM 587 CB ARG A 40 15.974 -1.737 6.570 1.00 0.00 C ATOM 588 CG ARG A 40 15.359 -2.811 5.687 1.00 0.00 C ATOM 589 CD ARG A 40 16.216 -3.082 4.461 1.00 0.00 C ATOM 590 NE ARG A 40 15.519 -3.904 3.476 1.00 0.00 N ATOM 591 CZ ARG A 40 15.461 -5.230 3.534 1.00 0.00 C ATOM 592 NH1 ARG A 40 16.055 -5.880 4.524 1.00 0.00 N ATOM 593 NH2 ARG A 40 14.806 -5.908 2.600 1.00 0.00 N ATOM 0 H ARG A 40 14.539 0.553 7.016 1.00 0.00 H new ATOM 0 HA ARG A 40 14.536 -2.206 8.097 1.00 0.00 H new ATOM 0 HB2 ARG A 40 16.182 -0.855 5.964 1.00 0.00 H new ATOM 0 HB3 ARG A 40 16.931 -2.095 6.951 1.00 0.00 H new ATOM 0 HG2 ARG A 40 15.240 -3.731 6.260 1.00 0.00 H new ATOM 0 HG3 ARG A 40 14.362 -2.500 5.374 1.00 0.00 H new ATOM 0 HD2 ARG A 40 16.504 -2.135 4.004 1.00 0.00 H new ATOM 0 HD3 ARG A 40 17.135 -3.582 4.765 1.00 0.00 H new ATOM 0 HE ARG A 40 15.051 -3.434 2.701 1.00 0.00 H new ATOM 0 HH11 ARG A 40 16.559 -5.362 5.244 1.00 0.00 H new ATOM 0 HH12 ARG A 40 16.009 -6.898 4.566 1.00 0.00 H new ATOM 0 HH21 ARG A 40 14.347 -5.411 1.837 1.00 0.00 H new ATOM 0 HH22 ARG A 40 14.762 -6.926 2.645 1.00 0.00 H new ATOM 607 N ASP A 41 16.102 -1.638 9.932 1.00 0.00 N ATOM 608 CA ASP A 41 16.905 -1.267 11.091 1.00 0.00 C ATOM 609 C ASP A 41 18.304 -0.831 10.667 1.00 0.00 C ATOM 610 O ASP A 41 19.018 -1.547 9.965 1.00 0.00 O ATOM 611 CB ASP A 41 16.998 -2.439 12.070 1.00 0.00 C ATOM 612 CG ASP A 41 17.192 -1.982 13.503 1.00 0.00 C ATOM 613 OD1 ASP A 41 18.194 -1.286 13.773 1.00 0.00 O ATOM 614 OD2 ASP A 41 16.343 -2.321 14.353 1.00 0.00 O ATOM 0 H ASP A 41 15.677 -2.563 9.992 1.00 0.00 H new ATOM 0 HA ASP A 41 16.417 -0.427 11.586 1.00 0.00 H new ATOM 0 HB2 ASP A 41 16.090 -3.038 12.002 1.00 0.00 H new ATOM 0 HB3 ASP A 41 17.828 -3.084 11.782 1.00 0.00 H new ATOM 619 N PRO A 42 18.706 0.373 11.101 1.00 0.00 N ATOM 620 CA PRO A 42 20.022 0.932 10.777 1.00 0.00 C ATOM 621 C PRO A 42 21.155 0.192 11.480 1.00 0.00 C ATOM 622 O PRO A 42 22.327 0.525 11.307 1.00 0.00 O ATOM 623 CB PRO A 42 19.929 2.374 11.284 1.00 0.00 C ATOM 624 CG PRO A 42 18.898 2.332 12.359 1.00 0.00 C ATOM 625 CD PRO A 42 17.906 1.281 11.941 1.00 0.00 C ATOM 0 HA PRO A 42 20.248 0.853 9.714 1.00 0.00 H new ATOM 0 HB2 PRO A 42 20.888 2.721 11.669 1.00 0.00 H new ATOM 0 HB3 PRO A 42 19.640 3.057 10.485 1.00 0.00 H new ATOM 0 HG2 PRO A 42 19.347 2.084 13.321 1.00 0.00 H new ATOM 0 HG3 PRO A 42 18.414 3.302 12.474 1.00 0.00 H new ATOM 0 HD2 PRO A 42 17.482 0.764 12.802 1.00 0.00 H new ATOM 0 HD3 PRO A 42 17.073 1.713 11.386 1.00 0.00 H new ATOM 633 N ASP A 43 20.797 -0.812 12.273 1.00 0.00 N ATOM 634 CA ASP A 43 21.784 -1.600 13.001 1.00 0.00 C ATOM 635 C ASP A 43 22.054 -2.923 12.291 1.00 0.00 C ATOM 636 O ASP A 43 23.164 -3.174 11.822 1.00 0.00 O ATOM 637 CB ASP A 43 21.306 -1.862 14.430 1.00 0.00 C ATOM 638 CG ASP A 43 20.976 -0.583 15.174 1.00 0.00 C ATOM 639 OD1 ASP A 43 20.308 0.291 14.583 1.00 0.00 O ATOM 640 OD2 ASP A 43 21.387 -0.456 16.347 1.00 0.00 O ATOM 0 H ASP A 43 19.831 -1.099 12.428 1.00 0.00 H new ATOM 0 HA ASP A 43 22.713 -1.031 13.036 1.00 0.00 H new ATOM 0 HB2 ASP A 43 20.424 -2.501 14.403 1.00 0.00 H new ATOM 0 HB3 ASP A 43 22.078 -2.407 14.974 1.00 0.00 H new ATOM 645 N THR A 44 21.030 -3.769 12.216 1.00 0.00 N ATOM 646 CA THR A 44 21.157 -5.067 11.566 1.00 0.00 C ATOM 647 C THR A 44 20.844 -4.969 10.078 1.00 0.00 C ATOM 648 O THR A 44 21.257 -5.818 9.289 1.00 0.00 O ATOM 649 CB THR A 44 20.224 -6.110 12.208 1.00 0.00 C ATOM 650 OG1 THR A 44 20.332 -7.358 11.514 1.00 0.00 O ATOM 651 CG2 THR A 44 18.779 -5.633 12.182 1.00 0.00 C ATOM 0 H THR A 44 20.104 -3.578 12.598 1.00 0.00 H new ATOM 0 HA THR A 44 22.191 -5.386 11.697 1.00 0.00 H new ATOM 0 HB THR A 44 20.527 -6.245 13.246 1.00 0.00 H new ATOM 0 HG1 THR A 44 19.761 -7.340 10.718 1.00 0.00 H new ATOM 0 HG21 THR A 44 18.139 -6.386 12.641 1.00 0.00 H new ATOM 0 HG22 THR A 44 18.694 -4.698 12.736 1.00 0.00 H new ATOM 0 HG23 THR A 44 18.467 -5.472 11.150 1.00 0.00 H new ATOM 659 N GLY A 45 20.110 -3.927 9.699 1.00 0.00 N ATOM 660 CA GLY A 45 19.755 -3.737 8.305 1.00 0.00 C ATOM 661 C GLY A 45 18.555 -4.568 7.894 1.00 0.00 C ATOM 662 O GLY A 45 17.963 -4.337 6.841 1.00 0.00 O ATOM 0 H GLY A 45 19.755 -3.211 10.333 1.00 0.00 H new ATOM 0 HA2 GLY A 45 19.541 -2.683 8.128 1.00 0.00 H new ATOM 0 HA3 GLY A 45 20.607 -3.999 7.677 1.00 0.00 H new ATOM 666 N ASN A 46 18.198 -5.540 8.727 1.00 0.00 N ATOM 667 CA ASN A 46 17.063 -6.411 8.444 1.00 0.00 C ATOM 668 C ASN A 46 15.753 -5.630 8.492 1.00 0.00 C ATOM 669 O ASN A 46 15.702 -4.514 9.009 1.00 0.00 O ATOM 670 CB ASN A 46 17.017 -7.566 9.445 1.00 0.00 C ATOM 671 CG ASN A 46 17.907 -8.724 9.034 1.00 0.00 C ATOM 672 OD1 ASN A 46 19.128 -8.589 8.967 1.00 0.00 O ATOM 673 ND2 ASN A 46 17.295 -9.869 8.754 1.00 0.00 N ATOM 0 H ASN A 46 18.678 -5.744 9.603 1.00 0.00 H new ATOM 0 HA ASN A 46 17.189 -6.815 7.439 1.00 0.00 H new ATOM 0 HB2 ASN A 46 17.325 -7.205 10.426 1.00 0.00 H new ATOM 0 HB3 ASN A 46 15.990 -7.918 9.543 1.00 0.00 H new ATOM 0 HD21 ASN A 46 17.841 -10.683 8.470 1.00 0.00 H new ATOM 0 HD22 ASN A 46 16.279 -9.935 8.823 1.00 0.00 H new ATOM 680 N SER A 47 14.695 -6.224 7.949 1.00 0.00 N ATOM 681 CA SER A 47 13.386 -5.583 7.927 1.00 0.00 C ATOM 682 C SER A 47 13.018 -5.051 9.308 1.00 0.00 C ATOM 683 O SER A 47 12.873 -5.815 10.263 1.00 0.00 O ATOM 684 CB SER A 47 12.320 -6.570 7.448 1.00 0.00 C ATOM 685 OG SER A 47 11.017 -6.094 7.737 1.00 0.00 O ATOM 0 H SER A 47 14.719 -7.148 7.518 1.00 0.00 H new ATOM 0 HA SER A 47 13.432 -4.743 7.234 1.00 0.00 H new ATOM 0 HB2 SER A 47 12.423 -6.728 6.374 1.00 0.00 H new ATOM 0 HB3 SER A 47 12.472 -7.536 7.929 1.00 0.00 H new ATOM 0 HG SER A 47 10.354 -6.742 7.420 1.00 0.00 H new ATOM 691 N LYS A 48 12.868 -3.734 9.408 1.00 0.00 N ATOM 692 CA LYS A 48 12.516 -3.097 10.671 1.00 0.00 C ATOM 693 C LYS A 48 11.262 -3.727 11.267 1.00 0.00 C ATOM 694 O LYS A 48 11.316 -4.367 12.317 1.00 0.00 O ATOM 695 CB LYS A 48 12.297 -1.596 10.465 1.00 0.00 C ATOM 696 CG LYS A 48 12.164 -0.817 11.762 1.00 0.00 C ATOM 697 CD LYS A 48 13.520 -0.378 12.290 1.00 0.00 C ATOM 698 CE LYS A 48 13.381 0.699 13.355 1.00 0.00 C ATOM 699 NZ LYS A 48 14.670 0.957 14.054 1.00 0.00 N ATOM 0 H LYS A 48 12.985 -3.087 8.628 1.00 0.00 H new ATOM 0 HA LYS A 48 13.342 -3.246 11.367 1.00 0.00 H new ATOM 0 HB2 LYS A 48 13.131 -1.191 9.892 1.00 0.00 H new ATOM 0 HB3 LYS A 48 11.397 -1.447 9.868 1.00 0.00 H new ATOM 0 HG2 LYS A 48 11.535 0.058 11.599 1.00 0.00 H new ATOM 0 HG3 LYS A 48 11.664 -1.434 12.509 1.00 0.00 H new ATOM 0 HD2 LYS A 48 14.045 -1.238 12.707 1.00 0.00 H new ATOM 0 HD3 LYS A 48 14.128 -0.001 11.467 1.00 0.00 H new ATOM 0 HE2 LYS A 48 13.026 1.621 12.895 1.00 0.00 H new ATOM 0 HE3 LYS A 48 12.628 0.396 14.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 14.534 1.697 14.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 14.996 0.083 14.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 15.382 1.271 13.364 1.00 0.00 H new ATOM 713 N GLY A 49 10.133 -3.544 10.590 1.00 0.00 N ATOM 714 CA GLY A 49 8.881 -4.102 11.068 1.00 0.00 C ATOM 715 C GLY A 49 7.673 -3.454 10.421 1.00 0.00 C ATOM 716 O GLY A 49 6.628 -4.088 10.267 1.00 0.00 O ATOM 0 H GLY A 49 10.063 -3.019 9.718 1.00 0.00 H new ATOM 0 HA2 GLY A 49 8.865 -5.174 10.869 1.00 0.00 H new ATOM 0 HA3 GLY A 49 8.821 -3.978 12.149 1.00 0.00 H new ATOM 720 N TYR A 50 7.814 -2.189 10.042 1.00 0.00 N ATOM 721 CA TYR A 50 6.723 -1.454 9.412 1.00 0.00 C ATOM 722 C TYR A 50 7.124 -0.971 8.022 1.00 0.00 C ATOM 723 O TYR A 50 8.305 -0.954 7.675 1.00 0.00 O ATOM 724 CB TYR A 50 6.315 -0.263 10.280 1.00 0.00 C ATOM 725 CG TYR A 50 7.487 0.543 10.793 1.00 0.00 C ATOM 726 CD1 TYR A 50 8.201 0.132 11.912 1.00 0.00 C ATOM 727 CD2 TYR A 50 7.881 1.715 10.158 1.00 0.00 C ATOM 728 CE1 TYR A 50 9.272 0.866 12.384 1.00 0.00 C ATOM 729 CE2 TYR A 50 8.951 2.454 10.623 1.00 0.00 C ATOM 730 CZ TYR A 50 9.644 2.025 11.736 1.00 0.00 C ATOM 731 OH TYR A 50 10.711 2.758 12.203 1.00 0.00 O ATOM 0 H TYR A 50 8.673 -1.651 10.160 1.00 0.00 H new ATOM 0 HA TYR A 50 5.873 -2.129 9.311 1.00 0.00 H new ATOM 0 HB2 TYR A 50 5.661 0.390 9.702 1.00 0.00 H new ATOM 0 HB3 TYR A 50 5.735 -0.625 11.129 1.00 0.00 H new ATOM 0 HD1 TYR A 50 7.914 -0.776 12.421 1.00 0.00 H new ATOM 0 HD2 TYR A 50 7.341 2.054 9.286 1.00 0.00 H new ATOM 0 HE1 TYR A 50 9.815 0.534 13.256 1.00 0.00 H new ATOM 0 HE2 TYR A 50 9.244 3.363 10.118 1.00 0.00 H new ATOM 0 HH TYR A 50 10.842 3.545 11.633 1.00 0.00 H new ATOM 741 N ALA A 51 6.131 -0.578 7.230 1.00 0.00 N ATOM 742 CA ALA A 51 6.379 -0.092 5.878 1.00 0.00 C ATOM 743 C ALA A 51 5.355 0.965 5.479 1.00 0.00 C ATOM 744 O ALA A 51 4.399 1.225 6.210 1.00 0.00 O ATOM 745 CB ALA A 51 6.360 -1.248 4.889 1.00 0.00 C ATOM 0 H ALA A 51 5.148 -0.587 7.501 1.00 0.00 H new ATOM 0 HA ALA A 51 7.366 0.370 5.860 1.00 0.00 H new ATOM 0 HB1 ALA A 51 6.547 -0.870 3.884 1.00 0.00 H new ATOM 0 HB2 ALA A 51 7.134 -1.968 5.156 1.00 0.00 H new ATOM 0 HB3 ALA A 51 5.386 -1.736 4.918 1.00 0.00 H new ATOM 751 N PHE A 52 5.561 1.573 4.315 1.00 0.00 N ATOM 752 CA PHE A 52 4.656 2.603 3.820 1.00 0.00 C ATOM 753 C PHE A 52 4.258 2.327 2.373 1.00 0.00 C ATOM 754 O PHE A 52 5.074 1.876 1.569 1.00 0.00 O ATOM 755 CB PHE A 52 5.312 3.981 3.925 1.00 0.00 C ATOM 756 CG PHE A 52 5.407 4.494 5.334 1.00 0.00 C ATOM 757 CD1 PHE A 52 6.150 3.812 6.285 1.00 0.00 C ATOM 758 CD2 PHE A 52 4.753 5.657 5.708 1.00 0.00 C ATOM 759 CE1 PHE A 52 6.237 4.281 7.582 1.00 0.00 C ATOM 760 CE2 PHE A 52 4.838 6.131 7.003 1.00 0.00 C ATOM 761 CZ PHE A 52 5.582 5.443 7.941 1.00 0.00 C ATOM 0 H PHE A 52 6.347 1.370 3.697 1.00 0.00 H new ATOM 0 HA PHE A 52 3.757 2.588 4.436 1.00 0.00 H new ATOM 0 HB2 PHE A 52 6.313 3.932 3.497 1.00 0.00 H new ATOM 0 HB3 PHE A 52 4.743 4.692 3.326 1.00 0.00 H new ATOM 0 HD1 PHE A 52 6.666 2.904 6.009 1.00 0.00 H new ATOM 0 HD2 PHE A 52 4.170 6.199 4.979 1.00 0.00 H new ATOM 0 HE1 PHE A 52 6.817 3.739 8.315 1.00 0.00 H new ATOM 0 HE2 PHE A 52 4.323 7.039 7.281 1.00 0.00 H new ATOM 0 HZ PHE A 52 5.652 5.813 8.953 1.00 0.00 H new ATOM 771 N ILE A 53 2.998 2.600 2.050 1.00 0.00 N ATOM 772 CA ILE A 53 2.491 2.382 0.701 1.00 0.00 C ATOM 773 C ILE A 53 1.497 3.468 0.305 1.00 0.00 C ATOM 774 O ILE A 53 0.684 3.906 1.118 1.00 0.00 O ATOM 775 CB ILE A 53 1.810 1.007 0.572 1.00 0.00 C ATOM 776 CG1 ILE A 53 2.743 -0.098 1.071 1.00 0.00 C ATOM 777 CG2 ILE A 53 1.402 0.751 -0.872 1.00 0.00 C ATOM 778 CD1 ILE A 53 2.236 -1.494 0.782 1.00 0.00 C ATOM 0 H ILE A 53 2.310 2.973 2.704 1.00 0.00 H new ATOM 0 HA ILE A 53 3.350 2.418 0.031 1.00 0.00 H new ATOM 0 HB ILE A 53 0.912 1.004 1.189 1.00 0.00 H new ATOM 0 HG12 ILE A 53 3.722 0.027 0.608 1.00 0.00 H new ATOM 0 HG13 ILE A 53 2.883 0.014 2.146 1.00 0.00 H new ATOM 0 HG21 ILE A 53 0.922 -0.225 -0.947 1.00 0.00 H new ATOM 0 HG22 ILE A 53 0.705 1.524 -1.196 1.00 0.00 H new ATOM 0 HG23 ILE A 53 2.286 0.770 -1.509 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.948 -2.226 1.164 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.271 -1.639 1.268 1.00 0.00 H new ATOM 0 HD13 ILE A 53 2.123 -1.625 -0.294 1.00 0.00 H new ATOM 790 N ASN A 54 1.568 3.898 -0.951 1.00 0.00 N ATOM 791 CA ASN A 54 0.673 4.933 -1.456 1.00 0.00 C ATOM 792 C ASN A 54 -0.303 4.357 -2.477 1.00 0.00 C ATOM 793 O ASN A 54 0.055 3.490 -3.275 1.00 0.00 O ATOM 794 CB ASN A 54 1.480 6.068 -2.090 1.00 0.00 C ATOM 795 CG ASN A 54 1.928 7.098 -1.070 1.00 0.00 C ATOM 796 OD1 ASN A 54 2.153 6.776 0.096 1.00 0.00 O ATOM 797 ND2 ASN A 54 2.058 8.345 -1.508 1.00 0.00 N ATOM 0 H ASN A 54 2.236 3.546 -1.637 1.00 0.00 H new ATOM 0 HA ASN A 54 0.102 5.327 -0.615 1.00 0.00 H new ATOM 0 HB2 ASN A 54 2.354 5.653 -2.591 1.00 0.00 H new ATOM 0 HB3 ASN A 54 0.876 6.557 -2.855 1.00 0.00 H new ATOM 0 HD21 ASN A 54 2.355 9.082 -0.868 1.00 0.00 H new ATOM 0 HD22 ASN A 54 1.860 8.566 -2.484 1.00 0.00 H new ATOM 804 N PHE A 55 -1.539 4.844 -2.446 1.00 0.00 N ATOM 805 CA PHE A 55 -2.568 4.378 -3.368 1.00 0.00 C ATOM 806 C PHE A 55 -2.938 5.470 -4.368 1.00 0.00 C ATOM 807 O PHE A 55 -2.675 6.650 -4.139 1.00 0.00 O ATOM 808 CB PHE A 55 -3.813 3.936 -2.595 1.00 0.00 C ATOM 809 CG PHE A 55 -3.796 2.484 -2.211 1.00 0.00 C ATOM 810 CD1 PHE A 55 -4.270 1.517 -3.083 1.00 0.00 C ATOM 811 CD2 PHE A 55 -3.306 2.086 -0.977 1.00 0.00 C ATOM 812 CE1 PHE A 55 -4.255 0.180 -2.733 1.00 0.00 C ATOM 813 CE2 PHE A 55 -3.288 0.751 -0.622 1.00 0.00 C ATOM 814 CZ PHE A 55 -3.765 -0.203 -1.500 1.00 0.00 C ATOM 0 H PHE A 55 -1.852 5.561 -1.792 1.00 0.00 H new ATOM 0 HA PHE A 55 -2.168 3.526 -3.918 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -3.905 4.541 -1.693 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -4.697 4.133 -3.202 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -4.656 1.812 -4.048 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -2.934 2.828 -0.285 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -4.626 -0.564 -3.423 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -2.901 0.453 0.341 1.00 0.00 H new ATOM 0 HZ PHE A 55 -3.755 -1.247 -1.223 1.00 0.00 H new ATOM 824 N ALA A 56 -3.549 5.066 -5.477 1.00 0.00 N ATOM 825 CA ALA A 56 -3.956 6.009 -6.511 1.00 0.00 C ATOM 826 C ALA A 56 -5.032 6.958 -5.996 1.00 0.00 C ATOM 827 O ALA A 56 -4.958 8.168 -6.207 1.00 0.00 O ATOM 828 CB ALA A 56 -4.452 5.262 -7.740 1.00 0.00 C ATOM 0 H ALA A 56 -3.773 4.092 -5.682 1.00 0.00 H new ATOM 0 HA ALA A 56 -3.086 6.605 -6.788 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -4.753 5.978 -8.504 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.653 4.630 -8.129 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -5.306 4.641 -7.468 1.00 0.00 H new ATOM 834 N SER A 57 -6.032 6.401 -5.320 1.00 0.00 N ATOM 835 CA SER A 57 -7.126 7.198 -4.779 1.00 0.00 C ATOM 836 C SER A 57 -7.534 6.694 -3.397 1.00 0.00 C ATOM 837 O SER A 57 -7.280 5.542 -3.044 1.00 0.00 O ATOM 838 CB SER A 57 -8.329 7.159 -5.723 1.00 0.00 C ATOM 839 OG SER A 57 -9.134 8.316 -5.572 1.00 0.00 O ATOM 0 H SER A 57 -6.107 5.401 -5.134 1.00 0.00 H new ATOM 0 HA SER A 57 -6.780 8.227 -4.684 1.00 0.00 H new ATOM 0 HB2 SER A 57 -7.984 7.085 -6.754 1.00 0.00 H new ATOM 0 HB3 SER A 57 -8.925 6.269 -5.521 1.00 0.00 H new ATOM 0 HG SER A 57 -9.895 8.268 -6.187 1.00 0.00 H new ATOM 845 N PHE A 58 -8.166 7.566 -2.619 1.00 0.00 N ATOM 846 CA PHE A 58 -8.608 7.211 -1.276 1.00 0.00 C ATOM 847 C PHE A 58 -9.487 5.964 -1.303 1.00 0.00 C ATOM 848 O PHE A 58 -9.348 5.075 -0.464 1.00 0.00 O ATOM 849 CB PHE A 58 -9.375 8.375 -0.644 1.00 0.00 C ATOM 850 CG PHE A 58 -8.659 9.692 -0.748 1.00 0.00 C ATOM 851 CD1 PHE A 58 -7.758 10.084 0.228 1.00 0.00 C ATOM 852 CD2 PHE A 58 -8.887 10.537 -1.823 1.00 0.00 C ATOM 853 CE1 PHE A 58 -7.097 11.294 0.136 1.00 0.00 C ATOM 854 CE2 PHE A 58 -8.229 11.748 -1.921 1.00 0.00 C ATOM 855 CZ PHE A 58 -7.333 12.128 -0.940 1.00 0.00 C ATOM 0 H PHE A 58 -8.384 8.523 -2.895 1.00 0.00 H new ATOM 0 HA PHE A 58 -7.724 6.998 -0.675 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -10.349 8.461 -1.125 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -9.557 8.152 0.407 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -7.570 9.436 1.071 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -9.587 10.246 -2.592 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -6.397 11.587 0.904 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -8.415 12.397 -2.764 1.00 0.00 H new ATOM 0 HZ PHE A 58 -6.818 13.075 -1.014 1.00 0.00 H new ATOM 865 N ASP A 59 -10.392 5.907 -2.274 1.00 0.00 N ATOM 866 CA ASP A 59 -11.294 4.770 -2.413 1.00 0.00 C ATOM 867 C ASP A 59 -10.550 3.456 -2.194 1.00 0.00 C ATOM 868 O ASP A 59 -10.954 2.632 -1.375 1.00 0.00 O ATOM 869 CB ASP A 59 -11.948 4.776 -3.796 1.00 0.00 C ATOM 870 CG ASP A 59 -12.983 3.680 -3.951 1.00 0.00 C ATOM 871 OD1 ASP A 59 -13.630 3.326 -2.942 1.00 0.00 O ATOM 872 OD2 ASP A 59 -13.148 3.176 -5.082 1.00 0.00 O ATOM 0 H ASP A 59 -10.520 6.635 -2.977 1.00 0.00 H new ATOM 0 HA ASP A 59 -12.070 4.858 -1.653 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -12.419 5.744 -3.968 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -11.179 4.656 -4.559 1.00 0.00 H new ATOM 877 N ALA A 60 -9.461 3.269 -2.933 1.00 0.00 N ATOM 878 CA ALA A 60 -8.660 2.056 -2.819 1.00 0.00 C ATOM 879 C ALA A 60 -8.253 1.801 -1.372 1.00 0.00 C ATOM 880 O ALA A 60 -8.466 0.712 -0.840 1.00 0.00 O ATOM 881 CB ALA A 60 -7.428 2.153 -3.707 1.00 0.00 C ATOM 0 H ALA A 60 -9.113 3.942 -3.617 1.00 0.00 H new ATOM 0 HA ALA A 60 -9.269 1.215 -3.151 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -6.839 1.241 -3.612 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -7.737 2.280 -4.745 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -6.825 3.008 -3.401 1.00 0.00 H new ATOM 887 N SER A 61 -7.666 2.812 -0.740 1.00 0.00 N ATOM 888 CA SER A 61 -7.225 2.695 0.645 1.00 0.00 C ATOM 889 C SER A 61 -8.377 2.265 1.547 1.00 0.00 C ATOM 890 O SER A 61 -8.212 1.412 2.420 1.00 0.00 O ATOM 891 CB SER A 61 -6.649 4.026 1.133 1.00 0.00 C ATOM 892 OG SER A 61 -5.628 4.489 0.266 1.00 0.00 O ATOM 0 H SER A 61 -7.485 3.721 -1.165 1.00 0.00 H new ATOM 0 HA SER A 61 -6.447 1.933 0.690 1.00 0.00 H new ATOM 0 HB2 SER A 61 -7.444 4.769 1.193 1.00 0.00 H new ATOM 0 HB3 SER A 61 -6.248 3.905 2.140 1.00 0.00 H new ATOM 0 HG SER A 61 -5.060 3.737 -0.002 1.00 0.00 H new ATOM 898 N ASP A 62 -9.544 2.862 1.331 1.00 0.00 N ATOM 899 CA ASP A 62 -10.725 2.541 2.123 1.00 0.00 C ATOM 900 C ASP A 62 -10.893 1.031 2.262 1.00 0.00 C ATOM 901 O ASP A 62 -11.211 0.528 3.339 1.00 0.00 O ATOM 902 CB ASP A 62 -11.975 3.149 1.484 1.00 0.00 C ATOM 903 CG ASP A 62 -13.134 3.245 2.456 1.00 0.00 C ATOM 904 OD1 ASP A 62 -13.601 2.187 2.929 1.00 0.00 O ATOM 905 OD2 ASP A 62 -13.574 4.377 2.745 1.00 0.00 O ATOM 0 H ASP A 62 -9.697 3.571 0.614 1.00 0.00 H new ATOM 0 HA ASP A 62 -10.591 2.966 3.118 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -11.739 4.144 1.106 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -12.272 2.544 0.627 1.00 0.00 H new ATOM 910 N ALA A 63 -10.679 0.314 1.163 1.00 0.00 N ATOM 911 CA ALA A 63 -10.806 -1.138 1.162 1.00 0.00 C ATOM 912 C ALA A 63 -9.797 -1.778 2.111 1.00 0.00 C ATOM 913 O ALA A 63 -10.143 -2.658 2.898 1.00 0.00 O ATOM 914 CB ALA A 63 -10.627 -1.682 -0.247 1.00 0.00 C ATOM 0 H ALA A 63 -10.417 0.715 0.263 1.00 0.00 H new ATOM 0 HA ALA A 63 -11.806 -1.391 1.513 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -10.724 -2.768 -0.233 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -11.389 -1.258 -0.900 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -9.639 -1.411 -0.619 1.00 0.00 H new ATOM 920 N ALA A 64 -8.548 -1.330 2.029 1.00 0.00 N ATOM 921 CA ALA A 64 -7.490 -1.858 2.881 1.00 0.00 C ATOM 922 C ALA A 64 -7.771 -1.565 4.351 1.00 0.00 C ATOM 923 O ALA A 64 -7.982 -2.481 5.146 1.00 0.00 O ATOM 924 CB ALA A 64 -6.145 -1.277 2.473 1.00 0.00 C ATOM 0 H ALA A 64 -8.245 -0.603 1.381 1.00 0.00 H new ATOM 0 HA ALA A 64 -7.460 -2.940 2.753 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -5.364 -1.680 3.118 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -5.933 -1.542 1.437 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -6.173 -0.192 2.571 1.00 0.00 H new ATOM 930 N ILE A 65 -7.772 -0.284 4.704 1.00 0.00 N ATOM 931 CA ILE A 65 -8.028 0.128 6.079 1.00 0.00 C ATOM 932 C ILE A 65 -9.256 -0.577 6.645 1.00 0.00 C ATOM 933 O ILE A 65 -9.413 -0.691 7.860 1.00 0.00 O ATOM 934 CB ILE A 65 -8.232 1.651 6.181 1.00 0.00 C ATOM 935 CG1 ILE A 65 -6.932 2.385 5.845 1.00 0.00 C ATOM 936 CG2 ILE A 65 -8.715 2.028 7.573 1.00 0.00 C ATOM 937 CD1 ILE A 65 -7.149 3.778 5.296 1.00 0.00 C ATOM 0 H ILE A 65 -7.599 0.486 4.058 1.00 0.00 H new ATOM 0 HA ILE A 65 -7.150 -0.153 6.661 1.00 0.00 H new ATOM 0 HB ILE A 65 -8.993 1.950 5.460 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -6.318 2.449 6.743 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -6.371 1.799 5.116 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -8.855 3.108 7.630 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -9.662 1.528 7.777 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -7.975 1.719 8.311 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -6.185 4.238 5.080 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -7.737 3.721 4.380 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -7.682 4.380 6.032 1.00 0.00 H new ATOM 949 N GLU A 66 -10.123 -1.050 5.755 1.00 0.00 N ATOM 950 CA GLU A 66 -11.336 -1.746 6.167 1.00 0.00 C ATOM 951 C GLU A 66 -11.068 -3.234 6.370 1.00 0.00 C ATOM 952 O GLU A 66 -11.405 -3.800 7.410 1.00 0.00 O ATOM 953 CB GLU A 66 -12.440 -1.553 5.124 1.00 0.00 C ATOM 954 CG GLU A 66 -13.816 -1.978 5.609 1.00 0.00 C ATOM 955 CD GLU A 66 -14.130 -1.460 6.999 1.00 0.00 C ATOM 956 OE1 GLU A 66 -13.760 -0.306 7.301 1.00 0.00 O ATOM 957 OE2 GLU A 66 -14.746 -2.209 7.785 1.00 0.00 O ATOM 0 H GLU A 66 -10.008 -0.964 4.745 1.00 0.00 H new ATOM 0 HA GLU A 66 -11.663 -1.321 7.116 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -12.475 -0.503 4.834 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -12.187 -2.123 4.230 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -14.571 -1.616 4.911 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -13.877 -3.066 5.608 1.00 0.00 H new ATOM 964 N ALA A 67 -10.460 -3.862 5.370 1.00 0.00 N ATOM 965 CA ALA A 67 -10.145 -5.284 5.439 1.00 0.00 C ATOM 966 C ALA A 67 -8.692 -5.505 5.845 1.00 0.00 C ATOM 967 O ALA A 67 -8.412 -6.150 6.855 1.00 0.00 O ATOM 968 CB ALA A 67 -10.429 -5.953 4.102 1.00 0.00 C ATOM 0 H ALA A 67 -10.175 -3.409 4.502 1.00 0.00 H new ATOM 0 HA ALA A 67 -10.781 -5.735 6.201 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -10.189 -7.014 4.168 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -11.483 -5.834 3.852 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -9.818 -5.491 3.327 1.00 0.00 H new ATOM 974 N MET A 68 -7.772 -4.967 5.052 1.00 0.00 N ATOM 975 CA MET A 68 -6.347 -5.106 5.330 1.00 0.00 C ATOM 976 C MET A 68 -6.049 -4.811 6.797 1.00 0.00 C ATOM 977 O MET A 68 -5.111 -5.362 7.372 1.00 0.00 O ATOM 978 CB MET A 68 -5.537 -4.167 4.434 1.00 0.00 C ATOM 979 CG MET A 68 -5.163 -4.779 3.094 1.00 0.00 C ATOM 980 SD MET A 68 -3.598 -5.673 3.150 1.00 0.00 S ATOM 981 CE MET A 68 -4.176 -7.368 3.155 1.00 0.00 C ATOM 0 H MET A 68 -7.987 -4.431 4.212 1.00 0.00 H new ATOM 0 HA MET A 68 -6.059 -6.136 5.119 1.00 0.00 H new ATOM 0 HB2 MET A 68 -6.112 -3.257 4.261 1.00 0.00 H new ATOM 0 HB3 MET A 68 -4.627 -3.874 4.957 1.00 0.00 H new ATOM 0 HG2 MET A 68 -5.954 -5.459 2.776 1.00 0.00 H new ATOM 0 HG3 MET A 68 -5.100 -3.991 2.344 1.00 0.00 H new ATOM 0 HE1 MET A 68 -3.894 -7.846 4.093 1.00 0.00 H new ATOM 0 HE2 MET A 68 -5.261 -7.383 3.052 1.00 0.00 H new ATOM 0 HE3 MET A 68 -3.725 -7.909 2.323 1.00 0.00 H new ATOM 991 N ASN A 69 -6.853 -3.939 7.396 1.00 0.00 N ATOM 992 CA ASN A 69 -6.674 -3.571 8.796 1.00 0.00 C ATOM 993 C ASN A 69 -6.892 -4.775 9.707 1.00 0.00 C ATOM 994 O ASN A 69 -7.915 -4.877 10.384 1.00 0.00 O ATOM 995 CB ASN A 69 -7.639 -2.447 9.177 1.00 0.00 C ATOM 996 CG ASN A 69 -7.833 -2.335 10.677 1.00 0.00 C ATOM 997 OD1 ASN A 69 -6.870 -2.372 11.443 1.00 0.00 O ATOM 998 ND2 ASN A 69 -9.083 -2.196 11.103 1.00 0.00 N ATOM 0 H ASN A 69 -7.635 -3.474 6.934 1.00 0.00 H new ATOM 0 HA ASN A 69 -5.650 -3.221 8.926 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -7.261 -1.501 8.791 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -8.604 -2.623 8.701 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -9.275 -2.115 12.101 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -9.851 -2.170 10.432 1.00 0.00 H new ATOM 1005 N GLY A 70 -5.924 -5.685 9.719 1.00 0.00 N ATOM 1006 CA GLY A 70 -6.029 -6.870 10.550 1.00 0.00 C ATOM 1007 C GLY A 70 -5.698 -8.141 9.794 1.00 0.00 C ATOM 1008 O GLY A 70 -5.264 -9.128 10.387 1.00 0.00 O ATOM 0 H GLY A 70 -5.068 -5.623 9.168 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -5.357 -6.773 11.402 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -7.041 -6.942 10.949 1.00 0.00 H new ATOM 1012 N GLN A 71 -5.904 -8.117 8.481 1.00 0.00 N ATOM 1013 CA GLN A 71 -5.626 -9.278 7.643 1.00 0.00 C ATOM 1014 C GLN A 71 -4.423 -10.054 8.170 1.00 0.00 C ATOM 1015 O GLN A 71 -3.356 -9.484 8.398 1.00 0.00 O ATOM 1016 CB GLN A 71 -5.374 -8.842 6.199 1.00 0.00 C ATOM 1017 CG GLN A 71 -6.634 -8.795 5.349 1.00 0.00 C ATOM 1018 CD GLN A 71 -7.373 -10.118 5.326 1.00 0.00 C ATOM 1019 OE1 GLN A 71 -8.525 -10.207 5.752 1.00 0.00 O ATOM 1020 NE2 GLN A 71 -6.712 -11.157 4.827 1.00 0.00 N ATOM 0 H GLN A 71 -6.262 -7.307 7.975 1.00 0.00 H new ATOM 0 HA GLN A 71 -6.498 -9.932 7.671 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -4.911 -7.855 6.202 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -4.662 -9.528 5.740 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -7.297 -8.020 5.732 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -6.370 -8.513 4.330 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -5.758 -11.038 4.485 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -7.158 -12.073 4.786 1.00 0.00 H new ATOM 1029 N TYR A 72 -4.603 -11.356 8.360 1.00 0.00 N ATOM 1030 CA TYR A 72 -3.533 -12.210 8.862 1.00 0.00 C ATOM 1031 C TYR A 72 -2.472 -12.441 7.791 1.00 0.00 C ATOM 1032 O TYR A 72 -2.656 -13.253 6.882 1.00 0.00 O ATOM 1033 CB TYR A 72 -4.100 -13.550 9.332 1.00 0.00 C ATOM 1034 CG TYR A 72 -3.343 -14.154 10.494 1.00 0.00 C ATOM 1035 CD1 TYR A 72 -3.448 -13.616 11.771 1.00 0.00 C ATOM 1036 CD2 TYR A 72 -2.523 -15.260 10.315 1.00 0.00 C ATOM 1037 CE1 TYR A 72 -2.759 -14.164 12.836 1.00 0.00 C ATOM 1038 CE2 TYR A 72 -1.830 -15.816 11.374 1.00 0.00 C ATOM 1039 CZ TYR A 72 -1.951 -15.264 12.632 1.00 0.00 C ATOM 1040 OH TYR A 72 -1.262 -15.813 13.689 1.00 0.00 O ATOM 0 H TYR A 72 -5.480 -11.843 8.174 1.00 0.00 H new ATOM 0 HA TYR A 72 -3.065 -11.705 9.707 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -5.142 -13.413 9.620 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -4.089 -14.252 8.498 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -4.079 -12.755 11.934 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -2.425 -15.694 9.331 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -2.852 -13.734 13.822 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -1.198 -16.677 11.217 1.00 0.00 H new ATOM 0 HH TYR A 72 -0.741 -16.582 13.376 1.00 0.00 H new ATOM 1050 N LEU A 73 -1.360 -11.722 7.903 1.00 0.00 N ATOM 1051 CA LEU A 73 -0.267 -11.848 6.945 1.00 0.00 C ATOM 1052 C LEU A 73 0.706 -12.944 7.370 1.00 0.00 C ATOM 1053 O LEU A 73 0.577 -13.516 8.453 1.00 0.00 O ATOM 1054 CB LEU A 73 0.474 -10.517 6.809 1.00 0.00 C ATOM 1055 CG LEU A 73 1.304 -10.338 5.538 1.00 0.00 C ATOM 1056 CD1 LEU A 73 0.527 -10.814 4.321 1.00 0.00 C ATOM 1057 CD2 LEU A 73 1.720 -8.883 5.373 1.00 0.00 C ATOM 0 H LEU A 73 -1.192 -11.046 8.648 1.00 0.00 H new ATOM 0 HA LEU A 73 -0.693 -12.120 5.979 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -0.257 -9.710 6.858 1.00 0.00 H new ATOM 0 HB3 LEU A 73 1.134 -10.402 7.669 1.00 0.00 H new ATOM 0 HG LEU A 73 2.205 -10.945 5.627 1.00 0.00 H new ATOM 0 HD11 LEU A 73 1.134 -10.679 3.426 1.00 0.00 H new ATOM 0 HD12 LEU A 73 0.281 -11.870 4.436 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -0.392 -10.236 4.227 1.00 0.00 H new ATOM 0 HD21 LEU A 73 2.310 -8.774 4.463 1.00 0.00 H new ATOM 0 HD22 LEU A 73 0.831 -8.256 5.306 1.00 0.00 H new ATOM 0 HD23 LEU A 73 2.317 -8.576 6.232 1.00 0.00 H new ATOM 1069 N CYS A 74 1.678 -13.229 6.512 1.00 0.00 N ATOM 1070 CA CYS A 74 2.675 -14.255 6.798 1.00 0.00 C ATOM 1071 C CYS A 74 2.959 -14.334 8.295 1.00 0.00 C ATOM 1072 O CYS A 74 3.832 -13.636 8.808 1.00 0.00 O ATOM 1073 CB CYS A 74 3.969 -13.966 6.036 1.00 0.00 C ATOM 1074 SG CYS A 74 4.021 -14.679 4.375 1.00 0.00 S ATOM 0 H CYS A 74 1.798 -12.764 5.612 1.00 0.00 H new ATOM 0 HA CYS A 74 2.276 -15.215 6.470 1.00 0.00 H new ATOM 0 HB2 CYS A 74 4.101 -12.887 5.961 1.00 0.00 H new ATOM 0 HB3 CYS A 74 4.811 -14.351 6.612 1.00 0.00 H new ATOM 0 HG CYS A 74 5.152 -14.379 3.809 1.00 0.00 H new ATOM 1080 N ASN A 75 2.214 -15.188 8.989 1.00 0.00 N ATOM 1081 CA ASN A 75 2.384 -15.356 10.428 1.00 0.00 C ATOM 1082 C ASN A 75 2.643 -14.014 11.106 1.00 0.00 C ATOM 1083 O ASN A 75 3.556 -13.886 11.921 1.00 0.00 O ATOM 1084 CB ASN A 75 3.538 -16.318 10.716 1.00 0.00 C ATOM 1085 CG ASN A 75 3.181 -17.759 10.407 1.00 0.00 C ATOM 1086 OD1 ASN A 75 2.005 -18.120 10.346 1.00 0.00 O ATOM 1087 ND2 ASN A 75 4.197 -18.591 10.211 1.00 0.00 N ATOM 0 H ASN A 75 1.487 -15.774 8.579 1.00 0.00 H new ATOM 0 HA ASN A 75 1.462 -15.774 10.832 1.00 0.00 H new ATOM 0 HB2 ASN A 75 4.406 -16.027 10.125 1.00 0.00 H new ATOM 0 HB3 ASN A 75 3.824 -16.234 11.764 1.00 0.00 H new ATOM 0 HD21 ASN A 75 4.019 -19.573 10.000 1.00 0.00 H new ATOM 0 HD22 ASN A 75 5.156 -18.248 10.271 1.00 0.00 H new ATOM 1094 N ARG A 76 1.834 -13.018 10.762 1.00 0.00 N ATOM 1095 CA ARG A 76 1.976 -11.686 11.337 1.00 0.00 C ATOM 1096 C ARG A 76 0.794 -10.800 10.955 1.00 0.00 C ATOM 1097 O ARG A 76 0.605 -10.442 9.792 1.00 0.00 O ATOM 1098 CB ARG A 76 3.282 -11.042 10.869 1.00 0.00 C ATOM 1099 CG ARG A 76 4.504 -11.511 11.641 1.00 0.00 C ATOM 1100 CD ARG A 76 5.556 -10.417 11.739 1.00 0.00 C ATOM 1101 NE ARG A 76 6.809 -10.910 12.304 1.00 0.00 N ATOM 1102 CZ ARG A 76 6.981 -11.169 13.595 1.00 0.00 C ATOM 1103 NH1 ARG A 76 5.985 -10.982 14.451 1.00 0.00 N ATOM 1104 NH2 ARG A 76 8.151 -11.616 14.033 1.00 0.00 N ATOM 0 H ARG A 76 1.074 -13.108 10.088 1.00 0.00 H new ATOM 0 HA ARG A 76 1.997 -11.786 12.422 1.00 0.00 H new ATOM 0 HB2 ARG A 76 3.426 -11.260 9.811 1.00 0.00 H new ATOM 0 HB3 ARG A 76 3.197 -9.959 10.963 1.00 0.00 H new ATOM 0 HG2 ARG A 76 4.206 -11.821 12.643 1.00 0.00 H new ATOM 0 HG3 ARG A 76 4.932 -12.385 11.151 1.00 0.00 H new ATOM 0 HD2 ARG A 76 5.743 -10.005 10.748 1.00 0.00 H new ATOM 0 HD3 ARG A 76 5.176 -9.603 12.356 1.00 0.00 H new ATOM 0 HE ARG A 76 7.595 -11.064 11.672 1.00 0.00 H new ATOM 0 HH11 ARG A 76 5.084 -10.638 14.118 1.00 0.00 H new ATOM 0 HH12 ARG A 76 6.120 -11.182 15.442 1.00 0.00 H new ATOM 0 HH21 ARG A 76 8.919 -11.761 13.378 1.00 0.00 H new ATOM 0 HH22 ARG A 76 8.282 -11.815 15.025 1.00 0.00 H new ATOM 1118 N PRO A 77 -0.022 -10.437 11.956 1.00 0.00 N ATOM 1119 CA PRO A 77 -1.199 -9.588 11.750 1.00 0.00 C ATOM 1120 C PRO A 77 -0.825 -8.151 11.403 1.00 0.00 C ATOM 1121 O PRO A 77 -0.325 -7.409 12.249 1.00 0.00 O ATOM 1122 CB PRO A 77 -1.917 -9.643 13.100 1.00 0.00 C ATOM 1123 CG PRO A 77 -0.844 -9.950 14.087 1.00 0.00 C ATOM 1124 CD PRO A 77 0.143 -10.826 13.367 1.00 0.00 C ATOM 0 HA PRO A 77 -1.808 -9.932 10.914 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -2.405 -8.695 13.328 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -2.691 -10.410 13.106 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -0.368 -9.036 14.443 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -1.252 -10.458 14.961 1.00 0.00 H new ATOM 0 HD2 PRO A 77 1.162 -10.654 13.715 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -0.072 -11.884 13.520 1.00 0.00 H new ATOM 1132 N ILE A 78 -1.071 -7.766 10.155 1.00 0.00 N ATOM 1133 CA ILE A 78 -0.760 -6.417 9.699 1.00 0.00 C ATOM 1134 C ILE A 78 -1.782 -5.411 10.220 1.00 0.00 C ATOM 1135 O ILE A 78 -2.856 -5.787 10.691 1.00 0.00 O ATOM 1136 CB ILE A 78 -0.718 -6.339 8.161 1.00 0.00 C ATOM 1137 CG1 ILE A 78 -2.127 -6.485 7.582 1.00 0.00 C ATOM 1138 CG2 ILE A 78 0.204 -7.411 7.601 1.00 0.00 C ATOM 1139 CD1 ILE A 78 -2.180 -6.347 6.077 1.00 0.00 C ATOM 0 H ILE A 78 -1.484 -8.368 9.443 1.00 0.00 H new ATOM 0 HA ILE A 78 0.225 -6.169 10.095 1.00 0.00 H new ATOM 0 HB ILE A 78 -0.326 -5.364 7.872 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -2.527 -7.459 7.864 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -2.775 -5.732 8.031 1.00 0.00 H new ATOM 0 HG21 ILE A 78 0.223 -7.343 6.513 1.00 0.00 H new ATOM 0 HG22 ILE A 78 1.211 -7.265 7.991 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -0.160 -8.395 7.896 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -3.209 -6.462 5.737 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -1.810 -5.363 5.789 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -1.559 -7.117 5.619 1.00 0.00 H new ATOM 1151 N THR A 79 -1.441 -4.129 10.130 1.00 0.00 N ATOM 1152 CA THR A 79 -2.328 -3.069 10.592 1.00 0.00 C ATOM 1153 C THR A 79 -2.239 -1.845 9.687 1.00 0.00 C ATOM 1154 O THR A 79 -1.203 -1.182 9.623 1.00 0.00 O ATOM 1155 CB THR A 79 -1.998 -2.650 12.037 1.00 0.00 C ATOM 1156 OG1 THR A 79 -0.657 -2.153 12.109 1.00 0.00 O ATOM 1157 CG2 THR A 79 -2.161 -3.824 12.991 1.00 0.00 C ATOM 0 H THR A 79 -0.557 -3.800 9.741 1.00 0.00 H new ATOM 0 HA THR A 79 -3.342 -3.469 10.560 1.00 0.00 H new ATOM 0 HB THR A 79 -2.693 -1.863 12.332 1.00 0.00 H new ATOM 0 HG1 THR A 79 -0.452 -1.647 11.295 1.00 0.00 H new ATOM 0 HG21 THR A 79 -1.923 -3.504 14.005 1.00 0.00 H new ATOM 0 HG22 THR A 79 -3.190 -4.181 12.956 1.00 0.00 H new ATOM 0 HG23 THR A 79 -1.487 -4.629 12.696 1.00 0.00 H new ATOM 1165 N VAL A 80 -3.331 -1.550 8.989 1.00 0.00 N ATOM 1166 CA VAL A 80 -3.376 -0.404 8.089 1.00 0.00 C ATOM 1167 C VAL A 80 -4.062 0.787 8.749 1.00 0.00 C ATOM 1168 O VAL A 80 -5.128 0.648 9.349 1.00 0.00 O ATOM 1169 CB VAL A 80 -4.114 -0.747 6.781 1.00 0.00 C ATOM 1170 CG1 VAL A 80 -3.895 0.344 5.743 1.00 0.00 C ATOM 1171 CG2 VAL A 80 -3.658 -2.098 6.251 1.00 0.00 C ATOM 0 H VAL A 80 -4.196 -2.089 9.030 1.00 0.00 H new ATOM 0 HA VAL A 80 -2.343 -0.142 7.858 1.00 0.00 H new ATOM 0 HB VAL A 80 -5.182 -0.807 6.991 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -4.424 0.085 4.826 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -4.275 1.291 6.125 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -2.829 0.438 5.534 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -4.189 -2.324 5.327 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -2.586 -2.069 6.056 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -3.871 -2.870 6.991 1.00 0.00 H new ATOM 1181 N SER A 81 -3.443 1.958 8.635 1.00 0.00 N ATOM 1182 CA SER A 81 -3.992 3.173 9.223 1.00 0.00 C ATOM 1183 C SER A 81 -3.487 4.410 8.487 1.00 0.00 C ATOM 1184 O SER A 81 -2.281 4.610 8.341 1.00 0.00 O ATOM 1185 CB SER A 81 -3.620 3.261 10.705 1.00 0.00 C ATOM 1186 OG SER A 81 -3.952 2.063 11.386 1.00 0.00 O ATOM 0 H SER A 81 -2.561 2.090 8.141 1.00 0.00 H new ATOM 0 HA SER A 81 -5.077 3.133 9.129 1.00 0.00 H new ATOM 0 HB2 SER A 81 -2.552 3.455 10.804 1.00 0.00 H new ATOM 0 HB3 SER A 81 -4.141 4.101 11.165 1.00 0.00 H new ATOM 0 HG SER A 81 -3.703 2.144 12.330 1.00 0.00 H new ATOM 1192 N TYR A 82 -4.418 5.237 8.025 1.00 0.00 N ATOM 1193 CA TYR A 82 -4.069 6.453 7.300 1.00 0.00 C ATOM 1194 C TYR A 82 -2.797 7.078 7.866 1.00 0.00 C ATOM 1195 O TYR A 82 -2.690 7.315 9.069 1.00 0.00 O ATOM 1196 CB TYR A 82 -5.218 7.460 7.369 1.00 0.00 C ATOM 1197 CG TYR A 82 -6.218 7.315 6.243 1.00 0.00 C ATOM 1198 CD1 TYR A 82 -5.914 7.747 4.958 1.00 0.00 C ATOM 1199 CD2 TYR A 82 -7.465 6.745 6.466 1.00 0.00 C ATOM 1200 CE1 TYR A 82 -6.825 7.617 3.927 1.00 0.00 C ATOM 1201 CE2 TYR A 82 -8.381 6.610 5.441 1.00 0.00 C ATOM 1202 CZ TYR A 82 -8.057 7.048 4.173 1.00 0.00 C ATOM 1203 OH TYR A 82 -8.966 6.915 3.149 1.00 0.00 O ATOM 0 H TYR A 82 -5.420 5.088 8.140 1.00 0.00 H new ATOM 0 HA TYR A 82 -3.890 6.186 6.258 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -5.736 7.343 8.321 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -4.807 8.469 7.351 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -4.950 8.192 4.762 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -7.723 6.402 7.457 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -6.574 7.959 2.934 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -9.346 6.164 5.631 1.00 0.00 H new ATOM 0 HH TYR A 82 -9.783 6.494 3.489 1.00 0.00 H new ATOM 1213 N ALA A 83 -1.834 7.341 6.988 1.00 0.00 N ATOM 1214 CA ALA A 83 -0.570 7.940 7.398 1.00 0.00 C ATOM 1215 C ALA A 83 -0.659 9.463 7.400 1.00 0.00 C ATOM 1216 O ALA A 83 0.344 10.153 7.221 1.00 0.00 O ATOM 1217 CB ALA A 83 0.554 7.477 6.484 1.00 0.00 C ATOM 0 H ALA A 83 -1.905 7.149 5.989 1.00 0.00 H new ATOM 0 HA ALA A 83 -0.355 7.613 8.415 1.00 0.00 H new ATOM 0 HB1 ALA A 83 1.492 7.932 6.802 1.00 0.00 H new ATOM 0 HB2 ALA A 83 0.641 6.392 6.536 1.00 0.00 H new ATOM 0 HB3 ALA A 83 0.335 7.775 5.459 1.00 0.00 H new ATOM 1223 N PHE A 84 -1.866 9.980 7.602 1.00 0.00 N ATOM 1224 CA PHE A 84 -2.087 11.421 7.626 1.00 0.00 C ATOM 1225 C PHE A 84 -2.627 11.867 8.981 1.00 0.00 C ATOM 1226 O PHE A 84 -3.624 12.585 9.060 1.00 0.00 O ATOM 1227 CB PHE A 84 -3.059 11.828 6.517 1.00 0.00 C ATOM 1228 CG PHE A 84 -2.908 13.257 6.081 1.00 0.00 C ATOM 1229 CD1 PHE A 84 -1.764 13.676 5.422 1.00 0.00 C ATOM 1230 CD2 PHE A 84 -3.909 14.182 6.331 1.00 0.00 C ATOM 1231 CE1 PHE A 84 -1.621 14.991 5.019 1.00 0.00 C ATOM 1232 CE2 PHE A 84 -3.772 15.497 5.930 1.00 0.00 C ATOM 1233 CZ PHE A 84 -2.626 15.903 5.275 1.00 0.00 C ATOM 0 H PHE A 84 -2.707 9.422 7.752 1.00 0.00 H new ATOM 0 HA PHE A 84 -1.129 11.913 7.458 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -2.909 11.176 5.656 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -4.080 11.668 6.863 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -0.974 12.967 5.221 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -4.807 13.871 6.845 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -0.725 15.304 4.505 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -4.561 16.207 6.129 1.00 0.00 H new ATOM 0 HZ PHE A 84 -2.516 16.931 4.964 1.00 0.00 H new ATOM 1243 N LYS A 85 -1.963 11.435 10.048 1.00 0.00 N ATOM 1244 CA LYS A 85 -2.374 11.788 11.401 1.00 0.00 C ATOM 1245 C LYS A 85 -1.213 11.639 12.379 1.00 0.00 C ATOM 1246 O LYS A 85 -0.727 10.534 12.619 1.00 0.00 O ATOM 1247 CB LYS A 85 -3.545 10.909 11.846 1.00 0.00 C ATOM 1248 CG LYS A 85 -3.936 11.107 13.301 1.00 0.00 C ATOM 1249 CD LYS A 85 -5.213 10.359 13.642 1.00 0.00 C ATOM 1250 CE LYS A 85 -4.931 8.907 13.996 1.00 0.00 C ATOM 1251 NZ LYS A 85 -5.929 8.366 14.959 1.00 0.00 N ATOM 0 H LYS A 85 -1.137 10.839 10.001 1.00 0.00 H new ATOM 0 HA LYS A 85 -2.691 12.831 11.397 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -4.408 11.121 11.215 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -3.284 9.863 11.688 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -3.128 10.762 13.946 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -4.072 12.170 13.501 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -5.710 10.849 14.479 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -5.898 10.402 12.795 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -4.939 8.304 13.088 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -3.932 8.825 14.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -5.701 7.374 15.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -5.904 8.925 15.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -6.880 8.420 14.541 1.00 0.00 H new ATOM 1265 N LYS A 86 -0.773 12.759 12.943 1.00 0.00 N ATOM 1266 CA LYS A 86 0.329 12.754 13.897 1.00 0.00 C ATOM 1267 C LYS A 86 -0.156 13.140 15.291 1.00 0.00 C ATOM 1268 O LYS A 86 0.349 14.088 15.894 1.00 0.00 O ATOM 1269 CB LYS A 86 1.429 13.717 13.443 1.00 0.00 C ATOM 1270 CG LYS A 86 0.941 15.139 13.226 1.00 0.00 C ATOM 1271 CD LYS A 86 0.461 15.352 11.800 1.00 0.00 C ATOM 1272 CE LYS A 86 1.617 15.675 10.866 1.00 0.00 C ATOM 1273 NZ LYS A 86 2.041 17.098 10.980 1.00 0.00 N ATOM 0 H LYS A 86 -1.163 13.682 12.755 1.00 0.00 H new ATOM 0 HA LYS A 86 0.735 11.743 13.940 1.00 0.00 H new ATOM 0 HB2 LYS A 86 2.224 13.724 14.189 1.00 0.00 H new ATOM 0 HB3 LYS A 86 1.865 13.346 12.516 1.00 0.00 H new ATOM 0 HG2 LYS A 86 0.129 15.356 13.920 1.00 0.00 H new ATOM 0 HG3 LYS A 86 1.746 15.839 13.448 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -0.052 14.456 11.450 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -0.265 16.165 11.777 1.00 0.00 H new ATOM 0 HE2 LYS A 86 2.461 15.025 11.095 1.00 0.00 H new ATOM 0 HE3 LYS A 86 1.323 15.465 9.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 2.831 17.278 10.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 1.243 17.719 10.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 2.346 17.292 11.955 1.00 0.00 H new ATOM 1287 N ASP A 87 -1.136 12.401 15.797 1.00 0.00 N ATOM 1288 CA ASP A 87 -1.688 12.665 17.121 1.00 0.00 C ATOM 1289 C ASP A 87 -2.301 11.401 17.716 1.00 0.00 C ATOM 1290 O ASP A 87 -3.178 10.782 17.114 1.00 0.00 O ATOM 1291 CB ASP A 87 -2.740 13.772 17.047 1.00 0.00 C ATOM 1292 CG ASP A 87 -2.891 14.516 18.360 1.00 0.00 C ATOM 1293 OD1 ASP A 87 -2.500 13.958 19.407 1.00 0.00 O ATOM 1294 OD2 ASP A 87 -3.399 15.657 18.339 1.00 0.00 O ATOM 0 H ASP A 87 -1.565 11.614 15.311 1.00 0.00 H new ATOM 0 HA ASP A 87 -0.874 12.992 17.769 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -2.466 14.477 16.262 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -3.700 13.339 16.766 1.00 0.00 H new ATOM 1299 N SER A 88 -1.834 11.023 18.902 1.00 0.00 N ATOM 1300 CA SER A 88 -2.333 9.831 19.576 1.00 0.00 C ATOM 1301 C SER A 88 -3.845 9.904 19.760 1.00 0.00 C ATOM 1302 O SER A 88 -4.570 8.968 19.421 1.00 0.00 O ATOM 1303 CB SER A 88 -1.649 9.664 20.934 1.00 0.00 C ATOM 1304 OG SER A 88 -2.153 8.532 21.623 1.00 0.00 O ATOM 0 H SER A 88 -1.110 11.526 19.416 1.00 0.00 H new ATOM 0 HA SER A 88 -2.102 8.967 18.953 1.00 0.00 H new ATOM 0 HB2 SER A 88 -0.573 9.558 20.792 1.00 0.00 H new ATOM 0 HB3 SER A 88 -1.805 10.559 21.536 1.00 0.00 H new ATOM 0 HG SER A 88 -1.699 8.446 22.487 1.00 0.00 H new ATOM 1310 N LYS A 89 -4.316 11.023 20.300 1.00 0.00 N ATOM 1311 CA LYS A 89 -5.742 11.222 20.530 1.00 0.00 C ATOM 1312 C LYS A 89 -6.192 12.582 20.007 1.00 0.00 C ATOM 1313 O LYS A 89 -5.507 13.587 20.192 1.00 0.00 O ATOM 1314 CB LYS A 89 -6.060 11.106 22.023 1.00 0.00 C ATOM 1315 CG LYS A 89 -6.061 9.676 22.535 1.00 0.00 C ATOM 1316 CD LYS A 89 -7.297 8.921 22.077 1.00 0.00 C ATOM 1317 CE LYS A 89 -7.449 7.601 22.817 1.00 0.00 C ATOM 1318 NZ LYS A 89 -8.271 6.625 22.049 1.00 0.00 N ATOM 0 H LYS A 89 -3.730 11.807 20.587 1.00 0.00 H new ATOM 0 HA LYS A 89 -6.284 10.447 19.989 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -5.329 11.685 22.588 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -7.036 11.552 22.214 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -5.167 9.161 22.182 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -6.018 9.678 23.624 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -8.182 9.536 22.241 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -7.234 8.733 21.005 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -6.464 7.176 23.007 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -7.911 7.780 23.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -8.351 5.739 22.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -9.220 7.020 21.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -7.817 6.434 21.133 1.00 0.00 H new ATOM 1332 N GLY A 90 -7.351 12.607 19.355 1.00 0.00 N ATOM 1333 CA GLY A 90 -7.874 13.849 18.818 1.00 0.00 C ATOM 1334 C GLY A 90 -8.636 14.654 19.852 1.00 0.00 C ATOM 1335 O GLY A 90 -8.258 15.780 20.174 1.00 0.00 O ATOM 0 H GLY A 90 -7.937 11.789 19.189 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -7.050 14.449 18.430 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -8.532 13.629 17.977 1.00 0.00 H new ATOM 1339 N SER A 91 -9.713 14.075 20.374 1.00 0.00 N ATOM 1340 CA SER A 91 -10.533 14.748 21.374 1.00 0.00 C ATOM 1341 C SER A 91 -9.738 14.995 22.652 1.00 0.00 C ATOM 1342 O SER A 91 -9.220 14.062 23.265 1.00 0.00 O ATOM 1343 CB SER A 91 -11.778 13.915 21.687 1.00 0.00 C ATOM 1344 OG SER A 91 -12.749 14.687 22.372 1.00 0.00 O ATOM 0 H SER A 91 -10.038 13.142 20.121 1.00 0.00 H new ATOM 0 HA SER A 91 -10.841 15.711 20.967 1.00 0.00 H new ATOM 0 HB2 SER A 91 -12.203 13.529 20.761 1.00 0.00 H new ATOM 0 HB3 SER A 91 -11.500 13.053 22.294 1.00 0.00 H new ATOM 0 HG SER A 91 -13.535 14.133 22.559 1.00 0.00 H new ATOM 1350 N GLY A 92 -9.645 16.261 23.049 1.00 0.00 N ATOM 1351 CA GLY A 92 -8.911 16.609 24.251 1.00 0.00 C ATOM 1352 C GLY A 92 -9.826 16.960 25.408 1.00 0.00 C ATOM 1353 O GLY A 92 -10.253 18.104 25.565 1.00 0.00 O ATOM 0 H GLY A 92 -10.065 17.051 22.559 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -8.272 15.774 24.538 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -8.255 17.454 24.041 1.00 0.00 H new ATOM 1357 N PRO A 93 -10.143 15.958 26.242 1.00 0.00 N ATOM 1358 CA PRO A 93 -11.017 16.141 27.404 1.00 0.00 C ATOM 1359 C PRO A 93 -10.361 16.976 28.498 1.00 0.00 C ATOM 1360 O PRO A 93 -9.334 16.588 29.056 1.00 0.00 O ATOM 1361 CB PRO A 93 -11.260 14.712 27.894 1.00 0.00 C ATOM 1362 CG PRO A 93 -10.075 13.942 27.420 1.00 0.00 C ATOM 1363 CD PRO A 93 -9.670 14.569 26.115 1.00 0.00 C ATOM 0 HA PRO A 93 -11.930 16.678 27.146 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -11.347 14.675 28.980 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -12.185 14.306 27.486 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -9.263 13.990 28.145 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -10.322 12.889 27.287 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -8.591 14.524 25.965 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -10.131 14.064 25.266 1.00 0.00 H new ATOM 1371 N SER A 94 -10.960 18.123 28.801 1.00 0.00 N ATOM 1372 CA SER A 94 -10.430 19.014 29.827 1.00 0.00 C ATOM 1373 C SER A 94 -11.152 18.803 31.155 1.00 0.00 C ATOM 1374 O SER A 94 -12.377 18.895 31.229 1.00 0.00 O ATOM 1375 CB SER A 94 -10.566 20.472 29.386 1.00 0.00 C ATOM 1376 OG SER A 94 -9.479 20.860 28.564 1.00 0.00 O ATOM 0 H SER A 94 -11.812 18.457 28.351 1.00 0.00 H new ATOM 0 HA SER A 94 -9.374 18.781 29.966 1.00 0.00 H new ATOM 0 HB2 SER A 94 -11.502 20.605 28.843 1.00 0.00 H new ATOM 0 HB3 SER A 94 -10.611 21.118 30.263 1.00 0.00 H new ATOM 0 HG SER A 94 -9.591 21.795 28.294 1.00 0.00 H new ATOM 1382 N SER A 95 -10.383 18.520 32.201 1.00 0.00 N ATOM 1383 CA SER A 95 -10.948 18.292 33.526 1.00 0.00 C ATOM 1384 C SER A 95 -10.148 19.034 34.592 1.00 0.00 C ATOM 1385 O SER A 95 -8.922 19.109 34.525 1.00 0.00 O ATOM 1386 CB SER A 95 -10.974 16.795 33.842 1.00 0.00 C ATOM 1387 OG SER A 95 -9.662 16.286 34.006 1.00 0.00 O ATOM 0 H SER A 95 -9.367 18.443 32.157 1.00 0.00 H new ATOM 0 HA SER A 95 -11.969 18.675 33.530 1.00 0.00 H new ATOM 0 HB2 SER A 95 -11.551 16.622 34.750 1.00 0.00 H new ATOM 0 HB3 SER A 95 -11.478 16.259 33.038 1.00 0.00 H new ATOM 0 HG SER A 95 -9.706 15.328 34.209 1.00 0.00 H new ATOM 1393 N GLY A 96 -10.854 19.583 35.577 1.00 0.00 N ATOM 1394 CA GLY A 96 -10.195 20.313 36.644 1.00 0.00 C ATOM 1395 C GLY A 96 -10.273 19.591 37.975 1.00 0.00 C ATOM 1396 O GLY A 96 -10.879 18.524 38.074 1.00 0.00 O ATOM 0 H GLY A 96 -11.870 19.535 35.654 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -9.149 20.470 36.380 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -10.651 21.298 36.741 1.00 0.00 H new TER 1400 GLY A 96