USER MOD reduce.3.24.130724 H: found=0, std=0, add=584, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 584 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 NoAdj : A 60 ASNHD21 : A 60 ASN OD1 : A 192 CACA :(metal ligand) USER MOD NoAdj : A 60 ASNHD22 : A 60 ASN OD1 : A 192 CACA :(metal ligand) USER MOD Set 1.1: A 26 CYS SG : rot 5:sc= -0.018 USER MOD Set 1.2: A 62 THR OG1 : rot 132:sc= -0.877! USER MOD Single : A 1 ALA N :NH3+ 178:sc= -0.214 (180deg=-0.224) USER MOD Single : A 5 SER OG : rot -132:sc= 0.00123 USER MOD Single : A 8 GLN : amide:sc= -3.71! C(o=-3.7!,f=-3.8!) USER MOD Single : A 13 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.0687) USER MOD Single : A 21 LYS NZ :NH3+ 161:sc= -0.0511 (180deg=-0.414) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.00397 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 42 ASN : amide:sc= -1.42! C(o=-1.4!,f=-6.4!) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.323 USER MOD Single : A 49 GLN : amide:sc= 0 K(o=0,f=-1.1!) USER MOD Single : A 51 MET CE :methyl -165:sc= -0.9 (180deg=-1.5) USER MOD Single : A 53 SER OG : rot 71:sc= 1.11 USER MOD Single : A 70 SER OG : rot -32:sc= 0.0775 USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ -145:sc= -0.0293 (180deg=-0.555) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -29.743 -11.472 8.840 1.00 0.00 N ATOM 2 CA ALA A 1 -28.382 -11.387 9.442 1.00 0.00 C ATOM 3 C ALA A 1 -27.467 -12.417 8.783 1.00 0.00 C ATOM 4 O ALA A 1 -26.282 -12.504 9.106 1.00 0.00 O ATOM 5 CB ALA A 1 -28.475 -11.660 10.946 1.00 0.00 C ATOM 0 H1 ALA A 1 -30.374 -10.794 9.312 1.00 0.00 H new ATOM 0 H2 ALA A 1 -29.689 -11.246 7.826 1.00 0.00 H new ATOM 0 H3 ALA A 1 -30.117 -12.435 8.961 1.00 0.00 H new ATOM 0 HA ALA A 1 -27.971 -10.390 9.281 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -27.481 -11.599 11.389 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -29.126 -10.919 11.411 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -28.884 -12.657 11.110 1.00 0.00 H new ATOM 13 N ASP A 2 -28.026 -13.196 7.858 1.00 0.00 N ATOM 14 CA ASP A 2 -27.252 -14.221 7.157 1.00 0.00 C ATOM 15 C ASP A 2 -26.509 -13.629 5.969 1.00 0.00 C ATOM 16 O ASP A 2 -25.821 -14.342 5.243 1.00 0.00 O ATOM 17 CB ASP A 2 -28.180 -15.330 6.665 1.00 0.00 C ATOM 18 CG ASP A 2 -28.943 -15.928 7.841 1.00 0.00 C ATOM 19 OD1 ASP A 2 -28.886 -15.352 8.914 1.00 0.00 O ATOM 20 OD2 ASP A 2 -29.573 -16.956 7.651 1.00 0.00 O ATOM 0 H ASP A 2 -29.005 -13.138 7.578 1.00 0.00 H new ATOM 0 HA ASP A 2 -26.524 -14.629 7.858 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -28.880 -14.931 5.931 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -27.600 -16.106 6.164 1.00 0.00 H new ATOM 25 N ILE A 3 -26.650 -12.323 5.778 1.00 0.00 N ATOM 26 CA ILE A 3 -25.979 -11.629 4.670 1.00 0.00 C ATOM 27 C ILE A 3 -24.505 -11.394 4.996 1.00 0.00 C ATOM 28 O ILE A 3 -24.163 -10.955 6.092 1.00 0.00 O ATOM 29 CB ILE A 3 -26.678 -10.285 4.411 1.00 0.00 C ATOM 30 CG1 ILE A 3 -28.191 -10.512 4.328 1.00 0.00 C ATOM 31 CG2 ILE A 3 -26.180 -9.683 3.090 1.00 0.00 C ATOM 32 CD1 ILE A 3 -28.494 -11.606 3.304 1.00 0.00 C ATOM 0 H ILE A 3 -27.220 -11.719 6.370 1.00 0.00 H new ATOM 0 HA ILE A 3 -26.039 -12.251 3.777 1.00 0.00 H new ATOM 0 HB ILE A 3 -26.451 -9.597 5.225 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -28.579 -10.798 5.305 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -28.692 -9.586 4.044 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -26.680 -8.731 2.913 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -25.103 -9.523 3.146 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -26.403 -10.367 2.271 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -29.571 -11.764 3.248 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -28.121 -11.302 2.326 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -28.006 -12.533 3.607 1.00 0.00 H new ATOM 44 N LEU A 4 -23.636 -11.682 4.034 1.00 0.00 N ATOM 45 CA LEU A 4 -22.210 -11.487 4.242 1.00 0.00 C ATOM 46 C LEU A 4 -21.938 -10.087 4.787 1.00 0.00 C ATOM 47 O LEU A 4 -21.156 -9.908 5.720 1.00 0.00 O ATOM 48 CB LEU A 4 -21.439 -11.695 2.929 1.00 0.00 C ATOM 49 CG LEU A 4 -21.584 -13.152 2.456 1.00 0.00 C ATOM 50 CD1 LEU A 4 -20.985 -13.312 1.044 1.00 0.00 C ATOM 51 CD2 LEU A 4 -20.855 -14.076 3.434 1.00 0.00 C ATOM 0 H LEU A 4 -23.890 -12.046 3.116 1.00 0.00 H new ATOM 0 HA LEU A 4 -21.868 -12.223 4.970 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -21.818 -11.017 2.164 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -20.386 -11.455 3.075 1.00 0.00 H new ATOM 0 HG LEU A 4 -22.641 -13.416 2.422 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -21.093 -14.347 0.718 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -21.510 -12.656 0.349 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -19.928 -13.046 1.065 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -20.956 -15.109 3.102 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -19.799 -13.808 3.470 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -21.290 -13.970 4.428 1.00 0.00 H new ATOM 63 N SER A 5 -22.597 -9.100 4.196 1.00 0.00 N ATOM 64 CA SER A 5 -22.435 -7.707 4.626 1.00 0.00 C ATOM 65 C SER A 5 -20.999 -7.238 4.417 1.00 0.00 C ATOM 66 O SER A 5 -20.435 -7.405 3.335 1.00 0.00 O ATOM 67 CB SER A 5 -22.803 -7.578 6.106 1.00 0.00 C ATOM 68 OG SER A 5 -23.060 -6.214 6.412 1.00 0.00 O ATOM 0 H SER A 5 -23.247 -9.231 3.421 1.00 0.00 H new ATOM 0 HA SER A 5 -23.096 -7.083 4.025 1.00 0.00 H new ATOM 0 HB2 SER A 5 -23.682 -8.184 6.328 1.00 0.00 H new ATOM 0 HB3 SER A 5 -21.991 -7.955 6.728 1.00 0.00 H new ATOM 0 HG SER A 5 -22.576 -5.965 7.227 1.00 0.00 H new ATOM 74 N GLU A 6 -20.414 -6.645 5.452 1.00 0.00 N ATOM 75 CA GLU A 6 -19.050 -6.141 5.358 1.00 0.00 C ATOM 76 C GLU A 6 -18.037 -7.249 5.616 1.00 0.00 C ATOM 77 O GLU A 6 -17.022 -7.029 6.269 1.00 0.00 O ATOM 78 CB GLU A 6 -18.833 -5.000 6.353 1.00 0.00 C ATOM 79 CG GLU A 6 -19.701 -3.807 5.948 1.00 0.00 C ATOM 80 CD GLU A 6 -19.555 -2.687 6.972 1.00 0.00 C ATOM 81 OE1 GLU A 6 -19.483 -2.994 8.151 1.00 0.00 O ATOM 82 OE2 GLU A 6 -19.517 -1.540 6.562 1.00 0.00 O ATOM 0 H GLU A 6 -20.859 -6.503 6.359 1.00 0.00 H new ATOM 0 HA GLU A 6 -18.902 -5.766 4.345 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -19.090 -5.327 7.361 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -17.782 -4.711 6.370 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -19.406 -3.450 4.961 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -20.745 -4.113 5.877 1.00 0.00 H new ATOM 89 N GLU A 7 -18.321 -8.445 5.104 1.00 0.00 N ATOM 90 CA GLU A 7 -17.416 -9.574 5.294 1.00 0.00 C ATOM 91 C GLU A 7 -16.137 -9.393 4.473 1.00 0.00 C ATOM 92 O GLU A 7 -15.035 -9.386 5.020 1.00 0.00 O ATOM 93 CB GLU A 7 -18.113 -10.875 4.888 1.00 0.00 C ATOM 94 CG GLU A 7 -17.255 -12.069 5.319 1.00 0.00 C ATOM 95 CD GLU A 7 -17.256 -12.190 6.840 1.00 0.00 C ATOM 96 OE1 GLU A 7 -18.031 -11.491 7.471 1.00 0.00 O ATOM 97 OE2 GLU A 7 -16.481 -12.980 7.351 1.00 0.00 O ATOM 0 H GLU A 7 -19.159 -8.655 4.562 1.00 0.00 H new ATOM 0 HA GLU A 7 -17.145 -9.622 6.349 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -19.097 -10.934 5.353 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -18.269 -10.896 3.809 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -17.642 -12.985 4.873 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -16.235 -11.944 4.957 1.00 0.00 H new ATOM 104 N GLN A 8 -16.292 -9.232 3.164 1.00 0.00 N ATOM 105 CA GLN A 8 -15.136 -9.043 2.291 1.00 0.00 C ATOM 106 C GLN A 8 -14.432 -7.726 2.616 1.00 0.00 C ATOM 107 O GLN A 8 -13.204 -7.655 2.625 1.00 0.00 O ATOM 108 CB GLN A 8 -15.575 -9.049 0.820 1.00 0.00 C ATOM 109 CG GLN A 8 -16.941 -8.373 0.693 1.00 0.00 C ATOM 110 CD GLN A 8 -18.049 -9.376 0.982 1.00 0.00 C ATOM 111 OE1 GLN A 8 -18.064 -10.466 0.416 1.00 0.00 O ATOM 112 NE2 GLN A 8 -18.981 -9.070 1.845 1.00 0.00 N ATOM 0 H GLN A 8 -17.194 -9.228 2.687 1.00 0.00 H new ATOM 0 HA GLN A 8 -14.440 -9.865 2.458 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -14.840 -8.526 0.208 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -15.628 -10.073 0.449 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -17.007 -7.536 1.388 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -17.062 -7.965 -0.310 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -18.965 -8.164 2.313 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -19.724 -9.737 2.051 1.00 0.00 H new ATOM 121 N ILE A 9 -15.214 -6.690 2.899 1.00 0.00 N ATOM 122 CA ILE A 9 -14.639 -5.394 3.230 1.00 0.00 C ATOM 123 C ILE A 9 -13.833 -5.493 4.521 1.00 0.00 C ATOM 124 O ILE A 9 -12.736 -4.948 4.621 1.00 0.00 O ATOM 125 CB ILE A 9 -15.737 -4.334 3.366 1.00 0.00 C ATOM 126 CG1 ILE A 9 -16.345 -4.064 1.984 1.00 0.00 C ATOM 127 CG2 ILE A 9 -15.135 -3.039 3.924 1.00 0.00 C ATOM 128 CD1 ILE A 9 -17.560 -3.141 2.117 1.00 0.00 C ATOM 0 H ILE A 9 -16.233 -6.721 2.906 1.00 0.00 H new ATOM 0 HA ILE A 9 -13.973 -5.093 2.421 1.00 0.00 H new ATOM 0 HB ILE A 9 -16.511 -4.691 4.045 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -15.600 -3.606 1.333 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -16.641 -5.004 1.518 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -15.917 -2.286 4.020 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -14.697 -3.234 4.903 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -14.363 -2.675 3.246 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -17.985 -2.955 1.131 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -18.309 -3.615 2.752 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -17.252 -2.196 2.564 1.00 0.00 H new ATOM 140 N VAL A 10 -14.387 -6.180 5.516 1.00 0.00 N ATOM 141 CA VAL A 10 -13.699 -6.310 6.792 1.00 0.00 C ATOM 142 C VAL A 10 -12.314 -6.910 6.573 1.00 0.00 C ATOM 143 O VAL A 10 -11.327 -6.428 7.132 1.00 0.00 O ATOM 144 CB VAL A 10 -14.508 -7.192 7.749 1.00 0.00 C ATOM 145 CG1 VAL A 10 -13.596 -7.736 8.854 1.00 0.00 C ATOM 146 CG2 VAL A 10 -15.630 -6.363 8.381 1.00 0.00 C ATOM 0 H VAL A 10 -15.293 -6.646 5.464 1.00 0.00 H new ATOM 0 HA VAL A 10 -13.595 -5.321 7.237 1.00 0.00 H new ATOM 0 HB VAL A 10 -14.935 -8.026 7.192 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -14.178 -8.362 9.531 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -12.797 -8.329 8.408 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -13.163 -6.905 9.411 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -16.206 -6.990 9.062 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -15.199 -5.528 8.933 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -16.285 -5.980 7.598 1.00 0.00 H new ATOM 156 N ASP A 11 -12.232 -7.950 5.750 1.00 0.00 N ATOM 157 CA ASP A 11 -10.939 -8.565 5.473 1.00 0.00 C ATOM 158 C ASP A 11 -9.998 -7.544 4.831 1.00 0.00 C ATOM 159 O ASP A 11 -8.890 -7.311 5.317 1.00 0.00 O ATOM 160 CB ASP A 11 -11.117 -9.767 4.543 1.00 0.00 C ATOM 161 CG ASP A 11 -9.774 -10.444 4.301 1.00 0.00 C ATOM 162 OD1 ASP A 11 -8.776 -9.914 4.758 1.00 0.00 O ATOM 163 OD2 ASP A 11 -9.762 -11.481 3.657 1.00 0.00 O ATOM 0 H ASP A 11 -13.026 -8.377 5.273 1.00 0.00 H new ATOM 0 HA ASP A 11 -10.504 -8.906 6.413 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -11.817 -10.477 4.983 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -11.546 -9.443 3.595 1.00 0.00 H new ATOM 168 N PHE A 12 -10.449 -6.932 3.738 1.00 0.00 N ATOM 169 CA PHE A 12 -9.635 -5.936 3.050 1.00 0.00 C ATOM 170 C PHE A 12 -9.254 -4.826 4.025 1.00 0.00 C ATOM 171 O PHE A 12 -8.089 -4.436 4.111 1.00 0.00 O ATOM 172 CB PHE A 12 -10.403 -5.347 1.858 1.00 0.00 C ATOM 173 CG PHE A 12 -10.569 -6.405 0.787 1.00 0.00 C ATOM 174 CD1 PHE A 12 -9.441 -7.026 0.229 1.00 0.00 C ATOM 175 CD2 PHE A 12 -11.850 -6.767 0.349 1.00 0.00 C ATOM 176 CE1 PHE A 12 -9.596 -8.004 -0.759 1.00 0.00 C ATOM 177 CE2 PHE A 12 -12.003 -7.743 -0.639 1.00 0.00 C ATOM 178 CZ PHE A 12 -10.877 -8.362 -1.194 1.00 0.00 C ATOM 0 H PHE A 12 -11.361 -7.106 3.315 1.00 0.00 H new ATOM 0 HA PHE A 12 -8.730 -6.415 2.676 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -11.380 -4.988 2.183 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -9.866 -4.488 1.455 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -8.452 -6.748 0.563 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -12.720 -6.291 0.776 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -8.727 -8.483 -1.186 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -12.991 -8.020 -0.975 1.00 0.00 H new ATOM 0 HZ PHE A 12 -10.997 -9.116 -1.958 1.00 0.00 H new ATOM 188 N LYS A 13 -10.238 -4.313 4.754 1.00 0.00 N ATOM 189 CA LYS A 13 -9.987 -3.235 5.695 1.00 0.00 C ATOM 190 C LYS A 13 -8.915 -3.655 6.691 1.00 0.00 C ATOM 191 O LYS A 13 -8.061 -2.852 7.066 1.00 0.00 O ATOM 192 CB LYS A 13 -11.287 -2.875 6.432 1.00 0.00 C ATOM 193 CG LYS A 13 -11.291 -1.385 6.826 1.00 0.00 C ATOM 194 CD LYS A 13 -10.028 -1.042 7.627 1.00 0.00 C ATOM 195 CE LYS A 13 -10.265 0.239 8.423 1.00 0.00 C ATOM 196 NZ LYS A 13 -11.048 -0.084 9.648 1.00 0.00 N ATOM 0 H LYS A 13 -11.208 -4.625 4.711 1.00 0.00 H new ATOM 0 HA LYS A 13 -9.635 -2.358 5.151 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -12.145 -3.091 5.795 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -11.389 -3.493 7.324 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -11.341 -0.765 5.931 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -12.178 -1.161 7.419 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -9.778 -1.861 8.301 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -9.181 -0.913 6.954 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -9.313 0.694 8.695 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -10.803 0.966 7.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -11.011 0.721 10.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -12.037 -0.274 9.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -10.643 -0.925 10.107 1.00 0.00 H new ATOM 210 N GLU A 14 -8.941 -4.918 7.109 1.00 0.00 N ATOM 211 CA GLU A 14 -7.947 -5.404 8.050 1.00 0.00 C ATOM 212 C GLU A 14 -6.564 -5.355 7.420 1.00 0.00 C ATOM 213 O GLU A 14 -5.594 -4.962 8.064 1.00 0.00 O ATOM 214 CB GLU A 14 -8.271 -6.834 8.471 1.00 0.00 C ATOM 215 CG GLU A 14 -7.382 -7.247 9.652 1.00 0.00 C ATOM 216 CD GLU A 14 -7.732 -8.668 10.083 1.00 0.00 C ATOM 217 OE1 GLU A 14 -8.450 -9.328 9.350 1.00 0.00 O ATOM 218 OE2 GLU A 14 -7.277 -9.075 11.141 1.00 0.00 O ATOM 0 H GLU A 14 -9.629 -5.611 6.814 1.00 0.00 H new ATOM 0 HA GLU A 14 -7.961 -4.764 8.932 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -9.321 -6.910 8.752 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -8.115 -7.513 7.633 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -6.332 -7.191 9.367 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -7.523 -6.558 10.485 1.00 0.00 H new ATOM 225 N ALA A 15 -6.477 -5.739 6.150 1.00 0.00 N ATOM 226 CA ALA A 15 -5.195 -5.719 5.457 1.00 0.00 C ATOM 227 C ALA A 15 -4.674 -4.290 5.371 1.00 0.00 C ATOM 228 O ALA A 15 -3.505 -4.032 5.658 1.00 0.00 O ATOM 229 CB ALA A 15 -5.336 -6.314 4.055 1.00 0.00 C ATOM 0 H ALA A 15 -7.265 -6.062 5.588 1.00 0.00 H new ATOM 0 HA ALA A 15 -4.483 -6.324 6.019 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -4.370 -6.291 3.551 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -5.682 -7.345 4.130 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -6.057 -5.730 3.483 1.00 0.00 H new ATOM 235 N PHE A 16 -5.541 -3.357 4.978 1.00 0.00 N ATOM 236 CA PHE A 16 -5.142 -1.960 4.871 1.00 0.00 C ATOM 237 C PHE A 16 -4.732 -1.409 6.230 1.00 0.00 C ATOM 238 O PHE A 16 -3.667 -0.810 6.369 1.00 0.00 O ATOM 239 CB PHE A 16 -6.297 -1.131 4.310 1.00 0.00 C ATOM 240 CG PHE A 16 -5.869 0.307 4.174 1.00 0.00 C ATOM 241 CD1 PHE A 16 -5.214 0.737 3.013 1.00 0.00 C ATOM 242 CD2 PHE A 16 -6.125 1.213 5.209 1.00 0.00 C ATOM 243 CE1 PHE A 16 -4.820 2.071 2.887 1.00 0.00 C ATOM 244 CE2 PHE A 16 -5.728 2.547 5.084 1.00 0.00 C ATOM 245 CZ PHE A 16 -5.074 2.976 3.923 1.00 0.00 C ATOM 0 H PHE A 16 -6.513 -3.543 4.732 1.00 0.00 H new ATOM 0 HA PHE A 16 -4.287 -1.899 4.198 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -6.602 -1.523 3.340 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -7.162 -1.202 4.969 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -5.014 0.037 2.215 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -6.629 0.881 6.105 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -4.319 2.404 1.990 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -5.926 3.247 5.883 1.00 0.00 H new ATOM 0 HZ PHE A 16 -4.765 4.006 3.827 1.00 0.00 H new ATOM 255 N GLY A 17 -5.586 -1.602 7.233 1.00 0.00 N ATOM 256 CA GLY A 17 -5.286 -1.095 8.564 1.00 0.00 C ATOM 257 C GLY A 17 -3.940 -1.614 9.034 1.00 0.00 C ATOM 258 O GLY A 17 -3.112 -0.850 9.528 1.00 0.00 O ATOM 0 H GLY A 17 -6.474 -2.097 7.150 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -5.279 -0.005 8.552 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -6.065 -1.402 9.262 1.00 0.00 H new ATOM 262 N LEU A 18 -3.705 -2.909 8.860 1.00 0.00 N ATOM 263 CA LEU A 18 -2.441 -3.496 9.265 1.00 0.00 C ATOM 264 C LEU A 18 -1.298 -2.858 8.479 1.00 0.00 C ATOM 265 O LEU A 18 -0.228 -2.594 9.025 1.00 0.00 O ATOM 266 CB LEU A 18 -2.489 -5.035 9.024 1.00 0.00 C ATOM 267 CG LEU A 18 -1.653 -5.777 10.077 1.00 0.00 C ATOM 268 CD1 LEU A 18 -1.681 -7.278 9.790 1.00 0.00 C ATOM 269 CD2 LEU A 18 -0.208 -5.271 10.029 1.00 0.00 C ATOM 0 H LEU A 18 -4.368 -3.564 8.445 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.270 -3.311 10.326 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -3.522 -5.382 9.062 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.113 -5.264 8.027 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.070 -5.593 11.067 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -1.087 -7.803 10.538 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.710 -7.636 9.827 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -1.266 -7.467 8.800 1.00 0.00 H new ATOM 0 HD21 LEU A 18 0.387 -5.797 10.776 1.00 0.00 H new ATOM 0 HD22 LEU A 18 0.209 -5.454 9.039 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -0.190 -4.201 10.238 1.00 0.00 H new ATOM 281 N PHE A 19 -1.528 -2.629 7.189 1.00 0.00 N ATOM 282 CA PHE A 19 -0.500 -2.042 6.329 1.00 0.00 C ATOM 283 C PHE A 19 -0.172 -0.654 6.794 1.00 0.00 C ATOM 284 O PHE A 19 0.991 -0.257 6.834 1.00 0.00 O ATOM 285 CB PHE A 19 -0.991 -2.021 4.871 1.00 0.00 C ATOM 286 CG PHE A 19 -0.993 -3.433 4.283 1.00 0.00 C ATOM 287 CD1 PHE A 19 -0.958 -4.587 5.110 1.00 0.00 C ATOM 288 CD2 PHE A 19 -1.031 -3.597 2.888 1.00 0.00 C ATOM 289 CE1 PHE A 19 -0.958 -5.849 4.558 1.00 0.00 C ATOM 290 CE2 PHE A 19 -1.030 -4.890 2.337 1.00 0.00 C ATOM 291 CZ PHE A 19 -0.993 -6.012 3.177 1.00 0.00 C ATOM 0 H PHE A 19 -2.408 -2.838 6.718 1.00 0.00 H new ATOM 0 HA PHE A 19 0.404 -2.648 6.385 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -1.996 -1.601 4.826 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -0.348 -1.374 4.274 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -0.931 -4.474 6.184 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -1.061 -2.732 2.241 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -0.931 -6.716 5.201 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -1.058 -5.019 1.265 1.00 0.00 H new ATOM 0 HZ PHE A 19 -0.992 -7.004 2.751 1.00 0.00 H new ATOM 301 N ASP A 20 -1.202 0.081 7.150 1.00 0.00 N ATOM 302 CA ASP A 20 -1.026 1.429 7.624 1.00 0.00 C ATOM 303 C ASP A 20 -0.562 1.424 9.079 1.00 0.00 C ATOM 304 O ASP A 20 -1.191 2.014 9.946 1.00 0.00 O ATOM 305 CB ASP A 20 -2.348 2.167 7.474 1.00 0.00 C ATOM 306 CG ASP A 20 -2.272 3.538 8.129 1.00 0.00 C ATOM 307 OD1 ASP A 20 -1.188 3.916 8.540 1.00 0.00 O ATOM 308 OD2 ASP A 20 -3.297 4.190 8.210 1.00 0.00 O ATOM 0 H ASP A 20 -2.171 -0.236 7.119 1.00 0.00 H new ATOM 0 HA ASP A 20 -0.259 1.936 7.038 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -2.592 2.276 6.417 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -3.150 1.585 7.928 1.00 0.00 H new ATOM 313 N LYS A 21 0.526 0.708 9.335 1.00 0.00 N ATOM 314 CA LYS A 21 1.058 0.578 10.691 1.00 0.00 C ATOM 315 C LYS A 21 0.959 1.892 11.463 1.00 0.00 C ATOM 316 O LYS A 21 0.819 1.885 12.685 1.00 0.00 O ATOM 317 CB LYS A 21 2.530 0.134 10.650 1.00 0.00 C ATOM 318 CG LYS A 21 2.652 -1.272 10.045 1.00 0.00 C ATOM 319 CD LYS A 21 4.112 -1.737 10.100 1.00 0.00 C ATOM 320 CE LYS A 21 4.221 -3.137 9.510 1.00 0.00 C ATOM 321 NZ LYS A 21 3.908 -3.092 8.054 1.00 0.00 N ATOM 0 H LYS A 21 1.059 0.208 8.624 1.00 0.00 H new ATOM 0 HA LYS A 21 0.456 -0.174 11.201 1.00 0.00 H new ATOM 0 HB2 LYS A 21 3.113 0.842 10.060 1.00 0.00 H new ATOM 0 HB3 LYS A 21 2.946 0.140 11.658 1.00 0.00 H new ATOM 0 HG2 LYS A 21 2.018 -1.969 10.592 1.00 0.00 H new ATOM 0 HG3 LYS A 21 2.302 -1.265 9.013 1.00 0.00 H new ATOM 0 HD2 LYS A 21 4.746 -1.046 9.544 1.00 0.00 H new ATOM 0 HD3 LYS A 21 4.467 -1.736 11.131 1.00 0.00 H new ATOM 0 HE2 LYS A 21 5.226 -3.530 9.664 1.00 0.00 H new ATOM 0 HE3 LYS A 21 3.533 -3.812 10.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 4.283 -3.945 7.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 2.877 -3.051 7.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 4.345 -2.248 7.631 1.00 0.00 H new ATOM 335 N ASP A 22 1.042 3.023 10.760 1.00 0.00 N ATOM 336 CA ASP A 22 0.969 4.332 11.419 1.00 0.00 C ATOM 337 C ASP A 22 -0.479 4.753 11.680 1.00 0.00 C ATOM 338 O ASP A 22 -0.747 5.548 12.579 1.00 0.00 O ATOM 339 CB ASP A 22 1.653 5.375 10.535 1.00 0.00 C ATOM 340 CG ASP A 22 1.200 5.203 9.091 1.00 0.00 C ATOM 341 OD1 ASP A 22 1.159 4.071 8.638 1.00 0.00 O ATOM 342 OD2 ASP A 22 0.902 6.203 8.457 1.00 0.00 O ATOM 0 H ASP A 22 1.158 3.062 9.747 1.00 0.00 H new ATOM 0 HA ASP A 22 1.474 4.259 12.382 1.00 0.00 H new ATOM 0 HB2 ASP A 22 1.410 6.378 10.885 1.00 0.00 H new ATOM 0 HB3 ASP A 22 2.736 5.268 10.602 1.00 0.00 H new ATOM 347 N GLY A 23 -1.404 4.211 10.905 1.00 0.00 N ATOM 348 CA GLY A 23 -2.818 4.523 11.080 1.00 0.00 C ATOM 349 C GLY A 23 -3.167 5.899 10.519 1.00 0.00 C ATOM 350 O GLY A 23 -4.208 6.464 10.856 1.00 0.00 O ATOM 0 H GLY A 23 -1.205 3.555 10.150 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -3.422 3.764 10.583 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -3.070 4.488 12.140 1.00 0.00 H new ATOM 354 N ASP A 24 -2.287 6.455 9.691 1.00 0.00 N ATOM 355 CA ASP A 24 -2.528 7.785 9.144 1.00 0.00 C ATOM 356 C ASP A 24 -3.739 7.767 8.223 1.00 0.00 C ATOM 357 O ASP A 24 -4.225 8.816 7.805 1.00 0.00 O ATOM 358 CB ASP A 24 -1.307 8.272 8.362 1.00 0.00 C ATOM 359 CG ASP A 24 -1.049 7.356 7.172 1.00 0.00 C ATOM 360 OD1 ASP A 24 -1.716 6.339 7.078 1.00 0.00 O ATOM 361 OD2 ASP A 24 -0.191 7.687 6.371 1.00 0.00 O ATOM 0 H ASP A 24 -1.418 6.015 9.389 1.00 0.00 H new ATOM 0 HA ASP A 24 -2.716 8.464 9.976 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -1.470 9.293 8.017 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -0.433 8.291 9.012 1.00 0.00 H new ATOM 366 N GLY A 25 -4.229 6.569 7.914 1.00 0.00 N ATOM 367 CA GLY A 25 -5.391 6.428 7.040 1.00 0.00 C ATOM 368 C GLY A 25 -4.963 6.310 5.583 1.00 0.00 C ATOM 369 O GLY A 25 -5.754 5.910 4.730 1.00 0.00 O ATOM 0 H GLY A 25 -3.843 5.688 8.253 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -5.963 5.546 7.328 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -6.049 7.288 7.162 1.00 0.00 H new ATOM 373 N CYS A 26 -3.712 6.675 5.297 1.00 0.00 N ATOM 374 CA CYS A 26 -3.193 6.613 3.923 1.00 0.00 C ATOM 375 C CYS A 26 -1.841 5.900 3.886 1.00 0.00 C ATOM 376 O CYS A 26 -0.937 6.237 4.650 1.00 0.00 O ATOM 377 CB CYS A 26 -3.032 8.030 3.367 1.00 0.00 C ATOM 378 SG CYS A 26 -2.957 7.966 1.561 1.00 0.00 S ATOM 0 H CYS A 26 -3.043 7.014 5.988 1.00 0.00 H new ATOM 0 HA CYS A 26 -3.902 6.054 3.313 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -3.868 8.654 3.685 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -2.125 8.486 3.763 1.00 0.00 H new ATOM 0 HG CYS A 26 -3.158 6.745 1.161 1.00 0.00 H new ATOM 384 N ILE A 27 -1.700 4.929 2.978 1.00 0.00 N ATOM 385 CA ILE A 27 -0.441 4.187 2.848 1.00 0.00 C ATOM 386 C ILE A 27 0.403 4.824 1.748 1.00 0.00 C ATOM 387 O ILE A 27 0.043 4.762 0.573 1.00 0.00 O ATOM 388 CB ILE A 27 -0.717 2.726 2.462 1.00 0.00 C ATOM 389 CG1 ILE A 27 -1.599 2.044 3.515 1.00 0.00 C ATOM 390 CG2 ILE A 27 0.607 1.967 2.367 1.00 0.00 C ATOM 391 CD1 ILE A 27 -2.092 0.706 2.953 1.00 0.00 C ATOM 0 H ILE A 27 -2.432 4.641 2.329 1.00 0.00 H new ATOM 0 HA ILE A 27 0.083 4.217 3.803 1.00 0.00 H new ATOM 0 HB ILE A 27 -1.233 2.715 1.502 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -1.034 1.883 4.433 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -2.446 2.682 3.769 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.413 0.930 2.093 1.00 0.00 H new ATOM 0 HG22 ILE A 27 1.238 2.430 1.609 1.00 0.00 H new ATOM 0 HG23 ILE A 27 1.115 1.999 3.331 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -2.721 0.210 3.693 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -2.670 0.883 2.046 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -1.237 0.072 2.721 1.00 0.00 H new ATOM 403 N THR A 28 1.528 5.432 2.116 1.00 0.00 N ATOM 404 CA THR A 28 2.387 6.060 1.115 1.00 0.00 C ATOM 405 C THR A 28 3.236 4.996 0.429 1.00 0.00 C ATOM 406 O THR A 28 3.300 3.858 0.894 1.00 0.00 O ATOM 407 CB THR A 28 3.296 7.106 1.769 1.00 0.00 C ATOM 408 OG1 THR A 28 4.169 6.466 2.689 1.00 0.00 O ATOM 409 CG2 THR A 28 2.443 8.141 2.506 1.00 0.00 C ATOM 0 H THR A 28 1.861 5.503 3.077 1.00 0.00 H new ATOM 0 HA THR A 28 1.759 6.557 0.376 1.00 0.00 H new ATOM 0 HB THR A 28 3.883 7.607 0.999 1.00 0.00 H new ATOM 0 HG1 THR A 28 4.752 7.134 3.106 1.00 0.00 H new ATOM 0 HG21 THR A 28 3.092 8.884 2.970 1.00 0.00 H new ATOM 0 HG22 THR A 28 1.776 8.634 1.798 1.00 0.00 H new ATOM 0 HG23 THR A 28 1.852 7.644 3.275 1.00 0.00 H new ATOM 417 N VAL A 29 3.879 5.356 -0.678 1.00 0.00 N ATOM 418 CA VAL A 29 4.702 4.384 -1.392 1.00 0.00 C ATOM 419 C VAL A 29 5.753 3.781 -0.459 1.00 0.00 C ATOM 420 O VAL A 29 6.020 2.581 -0.512 1.00 0.00 O ATOM 421 CB VAL A 29 5.391 5.043 -2.591 1.00 0.00 C ATOM 422 CG1 VAL A 29 4.400 5.969 -3.307 1.00 0.00 C ATOM 423 CG2 VAL A 29 6.604 5.859 -2.112 1.00 0.00 C ATOM 0 H VAL A 29 3.849 6.288 -1.092 1.00 0.00 H new ATOM 0 HA VAL A 29 4.051 3.587 -1.751 1.00 0.00 H new ATOM 0 HB VAL A 29 5.729 4.269 -3.280 1.00 0.00 H new ATOM 0 HG11 VAL A 29 4.891 6.438 -4.160 1.00 0.00 H new ATOM 0 HG12 VAL A 29 3.545 5.388 -3.654 1.00 0.00 H new ATOM 0 HG13 VAL A 29 4.058 6.740 -2.616 1.00 0.00 H new ATOM 0 HG21 VAL A 29 7.090 6.325 -2.969 1.00 0.00 H new ATOM 0 HG22 VAL A 29 6.272 6.631 -1.418 1.00 0.00 H new ATOM 0 HG23 VAL A 29 7.311 5.199 -1.609 1.00 0.00 H new ATOM 433 N GLU A 30 6.337 4.612 0.399 1.00 0.00 N ATOM 434 CA GLU A 30 7.343 4.130 1.325 1.00 0.00 C ATOM 435 C GLU A 30 6.736 3.109 2.281 1.00 0.00 C ATOM 436 O GLU A 30 7.326 2.062 2.550 1.00 0.00 O ATOM 437 CB GLU A 30 7.921 5.304 2.120 1.00 0.00 C ATOM 438 CG GLU A 30 8.815 6.147 1.209 1.00 0.00 C ATOM 439 CD GLU A 30 10.038 5.341 0.784 1.00 0.00 C ATOM 440 OE1 GLU A 30 10.365 4.389 1.475 1.00 0.00 O ATOM 441 OE2 GLU A 30 10.634 5.687 -0.225 1.00 0.00 O ATOM 0 H GLU A 30 6.131 5.609 0.469 1.00 0.00 H new ATOM 0 HA GLU A 30 8.141 3.650 0.758 1.00 0.00 H new ATOM 0 HB2 GLU A 30 7.114 5.916 2.523 1.00 0.00 H new ATOM 0 HB3 GLU A 30 8.495 4.934 2.969 1.00 0.00 H new ATOM 0 HG2 GLU A 30 8.255 6.464 0.329 1.00 0.00 H new ATOM 0 HG3 GLU A 30 9.129 7.051 1.730 1.00 0.00 H new ATOM 448 N GLU A 31 5.537 3.410 2.770 1.00 0.00 N ATOM 449 CA GLU A 31 4.845 2.504 3.669 1.00 0.00 C ATOM 450 C GLU A 31 4.465 1.224 2.934 1.00 0.00 C ATOM 451 O GLU A 31 4.597 0.126 3.471 1.00 0.00 O ATOM 452 CB GLU A 31 3.592 3.175 4.224 1.00 0.00 C ATOM 453 CG GLU A 31 3.981 4.290 5.194 1.00 0.00 C ATOM 454 CD GLU A 31 2.733 5.047 5.625 1.00 0.00 C ATOM 455 OE1 GLU A 31 1.941 5.386 4.761 1.00 0.00 O ATOM 456 OE2 GLU A 31 2.586 5.282 6.813 1.00 0.00 O ATOM 0 H GLU A 31 5.030 4.270 2.558 1.00 0.00 H new ATOM 0 HA GLU A 31 5.510 2.253 4.495 1.00 0.00 H new ATOM 0 HB2 GLU A 31 2.997 3.584 3.408 1.00 0.00 H new ATOM 0 HB3 GLU A 31 2.971 2.439 4.734 1.00 0.00 H new ATOM 0 HG2 GLU A 31 4.483 3.870 6.065 1.00 0.00 H new ATOM 0 HG3 GLU A 31 4.686 4.971 4.718 1.00 0.00 H new ATOM 463 N LEU A 32 4.008 1.369 1.702 1.00 0.00 N ATOM 464 CA LEU A 32 3.644 0.196 0.924 1.00 0.00 C ATOM 465 C LEU A 32 4.895 -0.653 0.726 1.00 0.00 C ATOM 466 O LEU A 32 4.868 -1.872 0.885 1.00 0.00 O ATOM 467 CB LEU A 32 3.039 0.610 -0.433 1.00 0.00 C ATOM 468 CG LEU A 32 2.081 -0.475 -0.969 1.00 0.00 C ATOM 469 CD1 LEU A 32 2.728 -1.857 -0.875 1.00 0.00 C ATOM 470 CD2 LEU A 32 0.769 -0.470 -0.166 1.00 0.00 C ATOM 0 H LEU A 32 3.882 2.263 1.228 1.00 0.00 H new ATOM 0 HA LEU A 32 2.887 -0.382 1.453 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.501 1.552 -0.323 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.838 0.782 -1.154 1.00 0.00 H new ATOM 0 HG LEU A 32 1.867 -0.253 -2.014 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.038 -2.609 -1.257 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.644 -1.871 -1.466 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.965 -2.078 0.166 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.102 -1.240 -0.554 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.984 -0.671 0.883 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.290 0.505 -0.258 1.00 0.00 H new ATOM 482 N ALA A 33 5.994 0.004 0.378 1.00 0.00 N ATOM 483 CA ALA A 33 7.245 -0.705 0.162 1.00 0.00 C ATOM 484 C ALA A 33 7.597 -1.531 1.395 1.00 0.00 C ATOM 485 O ALA A 33 8.027 -2.677 1.284 1.00 0.00 O ATOM 486 CB ALA A 33 8.368 0.292 -0.139 1.00 0.00 C ATOM 0 H ALA A 33 6.044 1.014 0.241 1.00 0.00 H new ATOM 0 HA ALA A 33 7.129 -1.374 -0.690 1.00 0.00 H new ATOM 0 HB1 ALA A 33 9.301 -0.248 -0.299 1.00 0.00 H new ATOM 0 HB2 ALA A 33 8.119 0.860 -1.035 1.00 0.00 H new ATOM 0 HB3 ALA A 33 8.484 0.974 0.703 1.00 0.00 H new ATOM 492 N THR A 34 7.389 -0.949 2.571 1.00 0.00 N ATOM 493 CA THR A 34 7.674 -1.666 3.810 1.00 0.00 C ATOM 494 C THR A 34 6.816 -2.934 3.881 1.00 0.00 C ATOM 495 O THR A 34 7.318 -4.004 4.221 1.00 0.00 O ATOM 496 CB THR A 34 7.439 -0.752 5.026 1.00 0.00 C ATOM 497 OG1 THR A 34 8.525 0.158 5.127 1.00 0.00 O ATOM 498 CG2 THR A 34 7.350 -1.578 6.319 1.00 0.00 C ATOM 0 H THR A 34 7.031 -0.002 2.693 1.00 0.00 H new ATOM 0 HA THR A 34 8.722 -1.964 3.824 1.00 0.00 H new ATOM 0 HB THR A 34 6.500 -0.216 4.892 1.00 0.00 H new ATOM 0 HG1 THR A 34 8.387 0.748 5.897 1.00 0.00 H new ATOM 0 HG21 THR A 34 7.184 -0.912 7.166 1.00 0.00 H new ATOM 0 HG22 THR A 34 6.522 -2.283 6.244 1.00 0.00 H new ATOM 0 HG23 THR A 34 8.281 -2.126 6.466 1.00 0.00 H new ATOM 506 N VAL A 35 5.529 -2.816 3.549 1.00 0.00 N ATOM 507 CA VAL A 35 4.653 -3.985 3.580 1.00 0.00 C ATOM 508 C VAL A 35 5.124 -5.024 2.560 1.00 0.00 C ATOM 509 O VAL A 35 5.239 -6.207 2.876 1.00 0.00 O ATOM 510 CB VAL A 35 3.192 -3.593 3.299 1.00 0.00 C ATOM 511 CG1 VAL A 35 2.358 -4.866 3.090 1.00 0.00 C ATOM 512 CG2 VAL A 35 2.639 -2.834 4.504 1.00 0.00 C ATOM 0 H VAL A 35 5.080 -1.946 3.263 1.00 0.00 H new ATOM 0 HA VAL A 35 4.702 -4.417 4.580 1.00 0.00 H new ATOM 0 HB VAL A 35 3.144 -2.967 2.408 1.00 0.00 H new ATOM 0 HG11 VAL A 35 1.322 -4.593 2.891 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.755 -5.426 2.244 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.405 -5.483 3.987 1.00 0.00 H new ATOM 0 HG21 VAL A 35 1.604 -2.552 4.313 1.00 0.00 H new ATOM 0 HG22 VAL A 35 2.685 -3.471 5.387 1.00 0.00 H new ATOM 0 HG23 VAL A 35 3.234 -1.936 4.673 1.00 0.00 H new ATOM 522 N ILE A 36 5.415 -4.573 1.348 1.00 0.00 N ATOM 523 CA ILE A 36 5.904 -5.474 0.313 1.00 0.00 C ATOM 524 C ILE A 36 7.212 -6.116 0.762 1.00 0.00 C ATOM 525 O ILE A 36 7.449 -7.300 0.519 1.00 0.00 O ATOM 526 CB ILE A 36 6.098 -4.728 -1.013 1.00 0.00 C ATOM 527 CG1 ILE A 36 4.725 -4.345 -1.576 1.00 0.00 C ATOM 528 CG2 ILE A 36 6.836 -5.621 -2.018 1.00 0.00 C ATOM 529 CD1 ILE A 36 4.132 -5.527 -2.354 1.00 0.00 C ATOM 0 H ILE A 36 5.323 -3.599 1.059 1.00 0.00 H new ATOM 0 HA ILE A 36 5.162 -6.256 0.152 1.00 0.00 H new ATOM 0 HB ILE A 36 6.691 -3.830 -0.840 1.00 0.00 H new ATOM 0 HG12 ILE A 36 4.056 -4.060 -0.764 1.00 0.00 H new ATOM 0 HG13 ILE A 36 4.819 -3.478 -2.230 1.00 0.00 H new ATOM 0 HG21 ILE A 36 6.968 -5.081 -2.956 1.00 0.00 H new ATOM 0 HG22 ILE A 36 7.812 -5.893 -1.615 1.00 0.00 H new ATOM 0 HG23 ILE A 36 6.253 -6.524 -2.198 1.00 0.00 H new ATOM 0 HD11 ILE A 36 3.156 -5.248 -2.751 1.00 0.00 H new ATOM 0 HD12 ILE A 36 4.797 -5.791 -3.176 1.00 0.00 H new ATOM 0 HD13 ILE A 36 4.021 -6.382 -1.688 1.00 0.00 H new ATOM 541 N ARG A 37 8.062 -5.332 1.415 1.00 0.00 N ATOM 542 CA ARG A 37 9.334 -5.839 1.902 1.00 0.00 C ATOM 543 C ARG A 37 9.128 -7.062 2.788 1.00 0.00 C ATOM 544 O ARG A 37 9.861 -8.046 2.685 1.00 0.00 O ATOM 545 CB ARG A 37 10.059 -4.747 2.694 1.00 0.00 C ATOM 546 CG ARG A 37 11.417 -5.273 3.153 1.00 0.00 C ATOM 547 CD ARG A 37 12.216 -4.138 3.786 1.00 0.00 C ATOM 548 NE ARG A 37 13.483 -4.638 4.300 1.00 0.00 N ATOM 549 CZ ARG A 37 14.335 -3.830 4.918 1.00 0.00 C ATOM 550 NH1 ARG A 37 14.037 -2.567 5.064 1.00 0.00 N ATOM 551 NH2 ARG A 37 15.465 -4.295 5.376 1.00 0.00 N ATOM 0 H ARG A 37 7.892 -4.347 1.618 1.00 0.00 H new ATOM 0 HA ARG A 37 9.938 -6.131 1.043 1.00 0.00 H new ATOM 0 HB2 ARG A 37 10.190 -3.859 2.075 1.00 0.00 H new ATOM 0 HB3 ARG A 37 9.461 -4.449 3.556 1.00 0.00 H new ATOM 0 HG2 ARG A 37 11.282 -6.081 3.872 1.00 0.00 H new ATOM 0 HG3 ARG A 37 11.963 -5.688 2.306 1.00 0.00 H new ATOM 0 HD2 ARG A 37 12.398 -3.357 3.048 1.00 0.00 H new ATOM 0 HD3 ARG A 37 11.641 -3.686 4.594 1.00 0.00 H new ATOM 0 HE ARG A 37 13.719 -5.623 4.183 1.00 0.00 H new ATOM 0 HH11 ARG A 37 13.153 -2.207 4.704 1.00 0.00 H new ATOM 0 HH12 ARG A 37 14.688 -1.941 5.538 1.00 0.00 H new ATOM 0 HH21 ARG A 37 15.695 -5.282 5.259 1.00 0.00 H new ATOM 0 HH22 ARG A 37 16.118 -3.672 5.851 1.00 0.00 H new ATOM 565 N SER A 38 8.127 -6.995 3.650 1.00 0.00 N ATOM 566 CA SER A 38 7.822 -8.110 4.531 1.00 0.00 C ATOM 567 C SER A 38 7.362 -9.327 3.741 1.00 0.00 C ATOM 568 O SER A 38 7.696 -10.463 4.084 1.00 0.00 O ATOM 569 CB SER A 38 6.726 -7.719 5.515 1.00 0.00 C ATOM 570 OG SER A 38 6.695 -8.649 6.585 1.00 0.00 O ATOM 0 H SER A 38 7.515 -6.186 3.758 1.00 0.00 H new ATOM 0 HA SER A 38 8.735 -8.362 5.070 1.00 0.00 H new ATOM 0 HB2 SER A 38 6.908 -6.715 5.898 1.00 0.00 H new ATOM 0 HB3 SER A 38 5.760 -7.698 5.010 1.00 0.00 H new ATOM 0 HG SER A 38 5.991 -8.396 7.218 1.00 0.00 H new ATOM 576 N LEU A 39 6.563 -9.095 2.707 1.00 0.00 N ATOM 577 CA LEU A 39 6.041 -10.192 1.909 1.00 0.00 C ATOM 578 C LEU A 39 7.131 -10.922 1.147 1.00 0.00 C ATOM 579 O LEU A 39 6.812 -11.608 0.184 1.00 0.00 O ATOM 580 CB LEU A 39 4.989 -9.677 0.923 1.00 0.00 C ATOM 581 CG LEU A 39 3.829 -8.997 1.682 1.00 0.00 C ATOM 582 CD1 LEU A 39 2.818 -8.415 0.680 1.00 0.00 C ATOM 583 CD2 LEU A 39 3.129 -10.030 2.571 1.00 0.00 C ATOM 0 H LEU A 39 6.266 -8.167 2.405 1.00 0.00 H new ATOM 0 HA LEU A 39 5.588 -10.900 2.603 1.00 0.00 H new ATOM 0 HB2 LEU A 39 5.445 -8.968 0.232 1.00 0.00 H new ATOM 0 HB3 LEU A 39 4.606 -10.504 0.325 1.00 0.00 H new ATOM 0 HG LEU A 39 4.227 -8.191 2.298 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.002 -7.937 1.222 1.00 0.00 H new ATOM 0 HD12 LEU A 39 3.315 -7.679 0.048 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.419 -9.217 0.058 1.00 0.00 H new ATOM 0 HD21 LEU A 39 2.310 -9.552 3.108 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.736 -10.836 1.952 1.00 0.00 H new ATOM 0 HD23 LEU A 39 3.843 -10.438 3.287 1.00 0.00 H new ATOM 595 N ASP A 40 8.398 -10.772 1.574 1.00 0.00 N ATOM 596 CA ASP A 40 9.540 -11.455 0.921 1.00 0.00 C ATOM 597 C ASP A 40 9.802 -10.885 -0.480 1.00 0.00 C ATOM 598 O ASP A 40 10.440 -11.534 -1.307 1.00 0.00 O ATOM 599 CB ASP A 40 9.285 -12.973 0.791 1.00 0.00 C ATOM 600 CG ASP A 40 8.872 -13.580 2.122 1.00 0.00 C ATOM 601 OD1 ASP A 40 9.475 -13.233 3.124 1.00 0.00 O ATOM 602 OD2 ASP A 40 7.950 -14.377 2.117 1.00 0.00 O ATOM 0 H ASP A 40 8.661 -10.186 2.366 1.00 0.00 H new ATOM 0 HA ASP A 40 10.411 -11.284 1.554 1.00 0.00 H new ATOM 0 HB2 ASP A 40 8.505 -13.151 0.050 1.00 0.00 H new ATOM 0 HB3 ASP A 40 10.187 -13.466 0.429 1.00 0.00 H new ATOM 607 N GLN A 41 9.320 -9.681 -0.752 1.00 0.00 N ATOM 608 CA GLN A 41 9.542 -9.054 -2.062 1.00 0.00 C ATOM 609 C GLN A 41 9.981 -7.613 -1.879 1.00 0.00 C ATOM 610 O GLN A 41 9.496 -6.925 -0.983 1.00 0.00 O ATOM 611 CB GLN A 41 8.255 -9.117 -2.891 1.00 0.00 C ATOM 612 CG GLN A 41 7.904 -10.581 -3.195 1.00 0.00 C ATOM 613 CD GLN A 41 6.665 -10.656 -4.081 1.00 0.00 C ATOM 614 OE1 GLN A 41 6.164 -9.630 -4.538 1.00 0.00 O ATOM 615 NE2 GLN A 41 6.135 -11.819 -4.349 1.00 0.00 N ATOM 0 H GLN A 41 8.778 -9.118 -0.097 1.00 0.00 H new ATOM 0 HA GLN A 41 10.328 -9.594 -2.590 1.00 0.00 H new ATOM 0 HB2 GLN A 41 7.438 -8.643 -2.348 1.00 0.00 H new ATOM 0 HB3 GLN A 41 8.383 -8.563 -3.821 1.00 0.00 H new ATOM 0 HG2 GLN A 41 8.744 -11.068 -3.691 1.00 0.00 H new ATOM 0 HG3 GLN A 41 7.727 -11.120 -2.264 1.00 0.00 H new ATOM 0 HE21 GLN A 41 6.552 -12.669 -3.969 1.00 0.00 H new ATOM 0 HE22 GLN A 41 5.304 -11.877 -4.938 1.00 0.00 H new ATOM 624 N ASN A 42 10.893 -7.151 -2.729 1.00 0.00 N ATOM 625 CA ASN A 42 11.375 -5.777 -2.634 1.00 0.00 C ATOM 626 C ASN A 42 11.560 -5.162 -4.020 1.00 0.00 C ATOM 627 O ASN A 42 12.686 -4.935 -4.456 1.00 0.00 O ATOM 628 CB ASN A 42 12.700 -5.745 -1.880 1.00 0.00 C ATOM 629 CG ASN A 42 13.761 -6.513 -2.655 1.00 0.00 C ATOM 630 OD1 ASN A 42 13.466 -7.547 -3.256 1.00 0.00 O ATOM 631 ND2 ASN A 42 14.988 -6.067 -2.683 1.00 0.00 N ATOM 0 H ASN A 42 11.309 -7.699 -3.482 1.00 0.00 H new ATOM 0 HA ASN A 42 10.630 -5.192 -2.094 1.00 0.00 H new ATOM 0 HB2 ASN A 42 13.020 -4.713 -1.735 1.00 0.00 H new ATOM 0 HB3 ASN A 42 12.574 -6.182 -0.889 1.00 0.00 H new ATOM 0 HD21 ASN A 42 15.704 -6.575 -3.203 1.00 0.00 H new ATOM 0 HD22 ASN A 42 15.231 -5.211 -2.185 1.00 0.00 H new ATOM 638 N PRO A 43 10.486 -4.878 -4.711 1.00 0.00 N ATOM 639 CA PRO A 43 10.540 -4.240 -6.061 1.00 0.00 C ATOM 640 C PRO A 43 11.171 -2.846 -5.993 1.00 0.00 C ATOM 641 O PRO A 43 11.170 -2.212 -4.938 1.00 0.00 O ATOM 642 CB PRO A 43 9.057 -4.165 -6.502 1.00 0.00 C ATOM 643 CG PRO A 43 8.324 -5.133 -5.619 1.00 0.00 C ATOM 644 CD PRO A 43 9.101 -5.136 -4.302 1.00 0.00 C ATOM 0 HA PRO A 43 11.156 -4.803 -6.763 1.00 0.00 H new ATOM 0 HB2 PRO A 43 8.664 -3.155 -6.387 1.00 0.00 H new ATOM 0 HB3 PRO A 43 8.947 -4.432 -7.553 1.00 0.00 H new ATOM 0 HG2 PRO A 43 7.290 -4.823 -5.466 1.00 0.00 H new ATOM 0 HG3 PRO A 43 8.296 -6.128 -6.063 1.00 0.00 H new ATOM 0 HD2 PRO A 43 8.736 -4.368 -3.620 1.00 0.00 H new ATOM 0 HD3 PRO A 43 9.008 -6.091 -3.785 1.00 0.00 H new ATOM 652 N THR A 44 11.695 -2.362 -7.117 1.00 0.00 N ATOM 653 CA THR A 44 12.298 -1.041 -7.154 1.00 0.00 C ATOM 654 C THR A 44 11.214 0.015 -7.360 1.00 0.00 C ATOM 655 O THR A 44 10.157 -0.271 -7.918 1.00 0.00 O ATOM 656 CB THR A 44 13.304 -0.973 -8.297 1.00 0.00 C ATOM 657 OG1 THR A 44 12.625 -1.110 -9.537 1.00 0.00 O ATOM 658 CG2 THR A 44 14.333 -2.092 -8.156 1.00 0.00 C ATOM 0 H THR A 44 11.712 -2.863 -8.005 1.00 0.00 H new ATOM 0 HA THR A 44 12.809 -0.851 -6.210 1.00 0.00 H new ATOM 0 HB THR A 44 13.815 -0.011 -8.263 1.00 0.00 H new ATOM 0 HG1 THR A 44 13.272 -1.064 -10.271 1.00 0.00 H new ATOM 0 HG21 THR A 44 15.047 -2.035 -8.977 1.00 0.00 H new ATOM 0 HG22 THR A 44 14.860 -1.984 -7.208 1.00 0.00 H new ATOM 0 HG23 THR A 44 13.827 -3.057 -8.182 1.00 0.00 H new ATOM 666 N GLU A 45 11.482 1.231 -6.906 1.00 0.00 N ATOM 667 CA GLU A 45 10.508 2.318 -7.056 1.00 0.00 C ATOM 668 C GLU A 45 9.815 2.214 -8.411 1.00 0.00 C ATOM 669 O GLU A 45 8.591 2.303 -8.502 1.00 0.00 O ATOM 670 CB GLU A 45 11.201 3.679 -6.932 1.00 0.00 C ATOM 671 CG GLU A 45 11.711 3.868 -5.501 1.00 0.00 C ATOM 672 CD GLU A 45 12.467 5.185 -5.390 1.00 0.00 C ATOM 673 OE1 GLU A 45 12.544 5.888 -6.385 1.00 0.00 O ATOM 674 OE2 GLU A 45 12.954 5.476 -4.309 1.00 0.00 O ATOM 0 H GLU A 45 12.349 1.494 -6.437 1.00 0.00 H new ATOM 0 HA GLU A 45 9.765 2.229 -6.264 1.00 0.00 H new ATOM 0 HB2 GLU A 45 12.031 3.741 -7.636 1.00 0.00 H new ATOM 0 HB3 GLU A 45 10.505 4.477 -7.189 1.00 0.00 H new ATOM 0 HG2 GLU A 45 10.874 3.859 -4.803 1.00 0.00 H new ATOM 0 HG3 GLU A 45 12.364 3.040 -5.226 1.00 0.00 H new ATOM 681 N GLU A 46 10.608 2.028 -9.460 1.00 0.00 N ATOM 682 CA GLU A 46 10.067 1.916 -10.809 1.00 0.00 C ATOM 683 C GLU A 46 8.867 0.971 -10.827 1.00 0.00 C ATOM 684 O GLU A 46 7.760 1.371 -11.184 1.00 0.00 O ATOM 685 CB GLU A 46 11.157 1.389 -11.771 1.00 0.00 C ATOM 686 CG GLU A 46 12.543 1.722 -11.223 1.00 0.00 C ATOM 687 CD GLU A 46 13.605 1.428 -12.278 1.00 0.00 C ATOM 688 OE1 GLU A 46 13.244 0.913 -13.325 1.00 0.00 O ATOM 689 OE2 GLU A 46 14.761 1.718 -12.026 1.00 0.00 O ATOM 0 H GLU A 46 11.624 1.952 -9.403 1.00 0.00 H new ATOM 0 HA GLU A 46 9.742 2.904 -11.135 1.00 0.00 H new ATOM 0 HB2 GLU A 46 11.055 0.311 -11.894 1.00 0.00 H new ATOM 0 HB3 GLU A 46 11.030 1.835 -12.757 1.00 0.00 H new ATOM 0 HG2 GLU A 46 12.586 2.772 -10.934 1.00 0.00 H new ATOM 0 HG3 GLU A 46 12.739 1.136 -10.325 1.00 0.00 H new ATOM 696 N GLU A 47 9.090 -0.284 -10.441 1.00 0.00 N ATOM 697 CA GLU A 47 8.010 -1.261 -10.431 1.00 0.00 C ATOM 698 C GLU A 47 6.922 -0.832 -9.454 1.00 0.00 C ATOM 699 O GLU A 47 5.735 -0.941 -9.753 1.00 0.00 O ATOM 700 CB GLU A 47 8.557 -2.636 -10.050 1.00 0.00 C ATOM 701 CG GLU A 47 9.490 -3.144 -11.153 1.00 0.00 C ATOM 702 CD GLU A 47 10.057 -4.505 -10.766 1.00 0.00 C ATOM 703 OE1 GLU A 47 9.785 -4.939 -9.660 1.00 0.00 O ATOM 704 OE2 GLU A 47 10.772 -5.082 -11.568 1.00 0.00 O ATOM 0 H GLU A 47 9.995 -0.642 -10.136 1.00 0.00 H new ATOM 0 HA GLU A 47 7.575 -1.320 -11.429 1.00 0.00 H new ATOM 0 HB2 GLU A 47 9.096 -2.575 -9.104 1.00 0.00 H new ATOM 0 HB3 GLU A 47 7.735 -3.337 -9.904 1.00 0.00 H new ATOM 0 HG2 GLU A 47 8.946 -3.221 -12.095 1.00 0.00 H new ATOM 0 HG3 GLU A 47 10.302 -2.434 -11.311 1.00 0.00 H new ATOM 711 N LEU A 48 7.325 -0.336 -8.291 1.00 0.00 N ATOM 712 CA LEU A 48 6.353 0.112 -7.299 1.00 0.00 C ATOM 713 C LEU A 48 5.513 1.250 -7.865 1.00 0.00 C ATOM 714 O LEU A 48 4.297 1.281 -7.679 1.00 0.00 O ATOM 715 CB LEU A 48 7.093 0.569 -6.026 1.00 0.00 C ATOM 716 CG LEU A 48 6.409 0.004 -4.780 1.00 0.00 C ATOM 717 CD1 LEU A 48 6.826 -1.450 -4.571 1.00 0.00 C ATOM 718 CD2 LEU A 48 6.808 0.837 -3.565 1.00 0.00 C ATOM 0 H LEU A 48 8.301 -0.234 -8.013 1.00 0.00 H new ATOM 0 HA LEU A 48 5.687 -0.713 -7.046 1.00 0.00 H new ATOM 0 HB2 LEU A 48 8.130 0.236 -6.062 1.00 0.00 H new ATOM 0 HB3 LEU A 48 7.109 1.658 -5.978 1.00 0.00 H new ATOM 0 HG LEU A 48 5.328 0.045 -4.910 1.00 0.00 H new ATOM 0 HD11 LEU A 48 6.335 -1.845 -3.682 1.00 0.00 H new ATOM 0 HD12 LEU A 48 6.534 -2.041 -5.439 1.00 0.00 H new ATOM 0 HD13 LEU A 48 7.907 -1.504 -4.442 1.00 0.00 H new ATOM 0 HD21 LEU A 48 6.322 0.438 -2.675 1.00 0.00 H new ATOM 0 HD22 LEU A 48 7.890 0.798 -3.437 1.00 0.00 H new ATOM 0 HD23 LEU A 48 6.497 1.871 -3.715 1.00 0.00 H new ATOM 730 N GLN A 49 6.158 2.172 -8.561 1.00 0.00 N ATOM 731 CA GLN A 49 5.441 3.290 -9.153 1.00 0.00 C ATOM 732 C GLN A 49 4.455 2.787 -10.204 1.00 0.00 C ATOM 733 O GLN A 49 3.273 3.129 -10.170 1.00 0.00 O ATOM 734 CB GLN A 49 6.433 4.275 -9.778 1.00 0.00 C ATOM 735 CG GLN A 49 7.145 5.053 -8.670 1.00 0.00 C ATOM 736 CD GLN A 49 8.217 5.952 -9.272 1.00 0.00 C ATOM 737 OE1 GLN A 49 8.306 6.084 -10.494 1.00 0.00 O ATOM 738 NE2 GLN A 49 9.041 6.590 -8.483 1.00 0.00 N ATOM 0 H GLN A 49 7.164 2.170 -8.729 1.00 0.00 H new ATOM 0 HA GLN A 49 4.881 3.805 -8.373 1.00 0.00 H new ATOM 0 HB2 GLN A 49 7.161 3.738 -10.386 1.00 0.00 H new ATOM 0 HB3 GLN A 49 5.909 4.963 -10.442 1.00 0.00 H new ATOM 0 HG2 GLN A 49 6.424 5.654 -8.115 1.00 0.00 H new ATOM 0 HG3 GLN A 49 7.596 4.360 -7.960 1.00 0.00 H new ATOM 0 HE21 GLN A 49 8.967 6.480 -7.472 1.00 0.00 H new ATOM 0 HE22 GLN A 49 9.758 7.198 -8.879 1.00 0.00 H new ATOM 747 N ASP A 50 4.942 1.977 -11.140 1.00 0.00 N ATOM 748 CA ASP A 50 4.080 1.451 -12.195 1.00 0.00 C ATOM 749 C ASP A 50 2.946 0.621 -11.597 1.00 0.00 C ATOM 750 O ASP A 50 1.824 0.642 -12.095 1.00 0.00 O ATOM 751 CB ASP A 50 4.899 0.589 -13.161 1.00 0.00 C ATOM 752 CG ASP A 50 4.022 0.134 -14.326 1.00 0.00 C ATOM 753 OD1 ASP A 50 2.842 0.442 -14.310 1.00 0.00 O ATOM 754 OD2 ASP A 50 4.546 -0.517 -15.215 1.00 0.00 O ATOM 0 H ASP A 50 5.915 1.674 -11.191 1.00 0.00 H new ATOM 0 HA ASP A 50 3.649 2.291 -12.740 1.00 0.00 H new ATOM 0 HB2 ASP A 50 5.750 1.157 -13.536 1.00 0.00 H new ATOM 0 HB3 ASP A 50 5.300 -0.278 -12.637 1.00 0.00 H new ATOM 759 N MET A 51 3.240 -0.091 -10.514 1.00 0.00 N ATOM 760 CA MET A 51 2.213 -0.893 -9.852 1.00 0.00 C ATOM 761 C MET A 51 1.269 0.021 -9.079 1.00 0.00 C ATOM 762 O MET A 51 0.045 -0.095 -9.194 1.00 0.00 O ATOM 763 CB MET A 51 2.859 -1.917 -8.906 1.00 0.00 C ATOM 764 CG MET A 51 3.417 -3.095 -9.714 1.00 0.00 C ATOM 765 SD MET A 51 3.920 -4.428 -8.587 1.00 0.00 S ATOM 766 CE MET A 51 5.324 -3.587 -7.809 1.00 0.00 C ATOM 0 H MET A 51 4.163 -0.131 -10.081 1.00 0.00 H new ATOM 0 HA MET A 51 1.645 -1.436 -10.607 1.00 0.00 H new ATOM 0 HB2 MET A 51 3.659 -1.444 -8.336 1.00 0.00 H new ATOM 0 HB3 MET A 51 2.123 -2.275 -8.186 1.00 0.00 H new ATOM 0 HG2 MET A 51 2.662 -3.460 -10.411 1.00 0.00 H new ATOM 0 HG3 MET A 51 4.269 -2.768 -10.310 1.00 0.00 H new ATOM 0 HE1 MET A 51 5.936 -4.316 -7.279 1.00 0.00 H new ATOM 0 HE2 MET A 51 5.925 -3.097 -8.575 1.00 0.00 H new ATOM 0 HE3 MET A 51 4.956 -2.841 -7.104 1.00 0.00 H new ATOM 776 N ILE A 52 1.836 0.944 -8.306 1.00 0.00 N ATOM 777 CA ILE A 52 1.016 1.880 -7.554 1.00 0.00 C ATOM 778 C ILE A 52 0.248 2.781 -8.513 1.00 0.00 C ATOM 779 O ILE A 52 -0.945 3.020 -8.333 1.00 0.00 O ATOM 780 CB ILE A 52 1.889 2.724 -6.616 1.00 0.00 C ATOM 781 CG1 ILE A 52 2.429 1.835 -5.493 1.00 0.00 C ATOM 782 CG2 ILE A 52 1.060 3.858 -6.007 1.00 0.00 C ATOM 783 CD1 ILE A 52 3.526 2.579 -4.736 1.00 0.00 C ATOM 0 H ILE A 52 2.842 1.061 -8.187 1.00 0.00 H new ATOM 0 HA ILE A 52 0.305 1.317 -6.949 1.00 0.00 H new ATOM 0 HB ILE A 52 2.716 3.150 -7.184 1.00 0.00 H new ATOM 0 HG12 ILE A 52 1.623 1.562 -4.812 1.00 0.00 H new ATOM 0 HG13 ILE A 52 2.824 0.907 -5.907 1.00 0.00 H new ATOM 0 HG21 ILE A 52 1.688 4.452 -5.343 1.00 0.00 H new ATOM 0 HG22 ILE A 52 0.672 4.493 -6.803 1.00 0.00 H new ATOM 0 HG23 ILE A 52 0.229 3.438 -5.441 1.00 0.00 H new ATOM 0 HD11 ILE A 52 3.910 1.946 -3.936 1.00 0.00 H new ATOM 0 HD12 ILE A 52 4.336 2.829 -5.422 1.00 0.00 H new ATOM 0 HD13 ILE A 52 3.117 3.494 -4.309 1.00 0.00 H new ATOM 795 N SER A 53 0.937 3.258 -9.542 1.00 0.00 N ATOM 796 CA SER A 53 0.297 4.117 -10.525 1.00 0.00 C ATOM 797 C SER A 53 -0.872 3.380 -11.168 1.00 0.00 C ATOM 798 O SER A 53 -1.956 3.939 -11.329 1.00 0.00 O ATOM 799 CB SER A 53 1.306 4.538 -11.592 1.00 0.00 C ATOM 800 OG SER A 53 2.376 5.242 -10.973 1.00 0.00 O ATOM 0 H SER A 53 1.924 3.067 -9.715 1.00 0.00 H new ATOM 0 HA SER A 53 -0.077 5.012 -10.027 1.00 0.00 H new ATOM 0 HB2 SER A 53 1.687 3.661 -12.116 1.00 0.00 H new ATOM 0 HB3 SER A 53 0.823 5.169 -12.338 1.00 0.00 H new ATOM 0 HG SER A 53 2.923 4.616 -10.455 1.00 0.00 H new ATOM 806 N GLU A 54 -0.642 2.127 -11.549 1.00 0.00 N ATOM 807 CA GLU A 54 -1.683 1.334 -12.193 1.00 0.00 C ATOM 808 C GLU A 54 -3.008 1.463 -11.444 1.00 0.00 C ATOM 809 O GLU A 54 -4.074 1.283 -12.030 1.00 0.00 O ATOM 810 CB GLU A 54 -1.261 -0.139 -12.248 1.00 0.00 C ATOM 811 CG GLU A 54 -2.235 -0.920 -13.135 1.00 0.00 C ATOM 812 CD GLU A 54 -3.517 -1.220 -12.363 1.00 0.00 C ATOM 813 OE1 GLU A 54 -3.423 -1.474 -11.173 1.00 0.00 O ATOM 814 OE2 GLU A 54 -4.573 -1.192 -12.973 1.00 0.00 O ATOM 0 H GLU A 54 0.247 1.643 -11.425 1.00 0.00 H new ATOM 0 HA GLU A 54 -1.821 1.710 -13.207 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -0.248 -0.223 -12.641 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -1.249 -0.562 -11.244 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -2.466 -0.344 -14.031 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -1.773 -1.850 -13.465 1.00 0.00 H new ATOM 821 N VAL A 55 -2.941 1.769 -10.140 1.00 0.00 N ATOM 822 CA VAL A 55 -4.157 1.907 -9.321 1.00 0.00 C ATOM 823 C VAL A 55 -4.299 3.312 -8.756 1.00 0.00 C ATOM 824 O VAL A 55 -5.405 3.735 -8.432 1.00 0.00 O ATOM 825 CB VAL A 55 -4.128 0.904 -8.170 1.00 0.00 C ATOM 826 CG1 VAL A 55 -2.861 1.104 -7.343 1.00 0.00 C ATOM 827 CG2 VAL A 55 -5.357 1.098 -7.278 1.00 0.00 C ATOM 0 H VAL A 55 -2.069 1.924 -9.633 1.00 0.00 H new ATOM 0 HA VAL A 55 -5.012 1.710 -9.968 1.00 0.00 H new ATOM 0 HB VAL A 55 -4.137 -0.106 -8.579 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -2.845 0.386 -6.523 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -1.986 0.953 -7.975 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -2.846 2.116 -6.939 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -5.329 0.379 -6.459 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -5.356 2.110 -6.873 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -6.262 0.943 -7.866 1.00 0.00 H new ATOM 837 N ASP A 56 -3.192 4.034 -8.621 1.00 0.00 N ATOM 838 CA ASP A 56 -3.269 5.369 -8.065 1.00 0.00 C ATOM 839 C ASP A 56 -4.178 6.211 -8.953 1.00 0.00 C ATOM 840 O ASP A 56 -3.720 6.963 -9.814 1.00 0.00 O ATOM 841 CB ASP A 56 -1.861 5.995 -7.967 1.00 0.00 C ATOM 842 CG ASP A 56 -1.857 7.149 -6.964 1.00 0.00 C ATOM 843 OD1 ASP A 56 -2.909 7.434 -6.423 1.00 0.00 O ATOM 844 OD2 ASP A 56 -0.812 7.732 -6.760 1.00 0.00 O ATOM 0 H ASP A 56 -2.256 3.723 -8.883 1.00 0.00 H new ATOM 0 HA ASP A 56 -3.681 5.329 -7.057 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -1.140 5.237 -7.661 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -1.548 6.356 -8.947 1.00 0.00 H new ATOM 849 N ALA A 57 -5.471 6.058 -8.741 1.00 0.00 N ATOM 850 CA ALA A 57 -6.449 6.809 -9.523 1.00 0.00 C ATOM 851 C ALA A 57 -6.284 8.303 -9.280 1.00 0.00 C ATOM 852 O ALA A 57 -6.502 9.116 -10.178 1.00 0.00 O ATOM 853 CB ALA A 57 -7.872 6.393 -9.154 1.00 0.00 C ATOM 0 H ALA A 57 -5.871 5.430 -8.044 1.00 0.00 H new ATOM 0 HA ALA A 57 -6.277 6.590 -10.577 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -8.584 6.965 -9.749 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -8.004 5.330 -9.354 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -8.045 6.587 -8.095 1.00 0.00 H new ATOM 859 N ASP A 58 -5.918 8.659 -8.055 1.00 0.00 N ATOM 860 CA ASP A 58 -5.735 10.066 -7.703 1.00 0.00 C ATOM 861 C ASP A 58 -4.375 10.592 -8.164 1.00 0.00 C ATOM 862 O ASP A 58 -4.205 11.793 -8.362 1.00 0.00 O ATOM 863 CB ASP A 58 -5.854 10.225 -6.190 1.00 0.00 C ATOM 864 CG ASP A 58 -7.030 9.402 -5.679 1.00 0.00 C ATOM 865 OD1 ASP A 58 -8.091 9.481 -6.275 1.00 0.00 O ATOM 866 OD2 ASP A 58 -6.851 8.701 -4.695 1.00 0.00 O ATOM 0 H ASP A 58 -5.743 8.003 -7.294 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.508 10.645 -8.209 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -4.933 9.900 -5.707 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.994 11.275 -5.935 1.00 0.00 H new ATOM 871 N GLY A 59 -3.409 9.697 -8.332 1.00 0.00 N ATOM 872 CA GLY A 59 -2.074 10.107 -8.756 1.00 0.00 C ATOM 873 C GLY A 59 -1.416 11.018 -7.718 1.00 0.00 C ATOM 874 O GLY A 59 -0.525 11.799 -8.050 1.00 0.00 O ATOM 0 H GLY A 59 -3.521 8.694 -8.184 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -1.454 9.225 -8.914 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -2.138 10.628 -9.712 1.00 0.00 H new ATOM 878 N ASN A 60 -1.861 10.931 -6.463 1.00 0.00 N ATOM 879 CA ASN A 60 -1.301 11.780 -5.408 1.00 0.00 C ATOM 880 C ASN A 60 0.042 11.249 -4.919 1.00 0.00 C ATOM 881 O ASN A 60 0.808 11.977 -4.290 1.00 0.00 O ATOM 882 CB ASN A 60 -2.259 11.861 -4.222 1.00 0.00 C ATOM 883 CG ASN A 60 -2.649 10.456 -3.782 1.00 0.00 C ATOM 884 OD1 ASN A 60 -2.287 9.478 -4.434 1.00 0.00 O ATOM 885 ND2 ASN A 60 -3.372 10.292 -2.710 1.00 0.00 N ATOM 0 H ASN A 60 -2.595 10.293 -6.155 1.00 0.00 H new ATOM 0 HA ASN A 60 -1.155 12.772 -5.836 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -1.787 12.393 -3.396 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -3.149 12.426 -4.499 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -3.637 9.353 -2.412 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -3.673 11.103 -2.169 1.00 0.00 H new ATOM 892 N GLY A 61 0.329 9.976 -5.194 1.00 0.00 N ATOM 893 CA GLY A 61 1.589 9.374 -4.758 1.00 0.00 C ATOM 894 C GLY A 61 1.375 8.494 -3.528 1.00 0.00 C ATOM 895 O GLY A 61 2.326 8.099 -2.859 1.00 0.00 O ATOM 0 H GLY A 61 -0.286 9.348 -5.711 1.00 0.00 H new ATOM 0 HA2 GLY A 61 2.011 8.778 -5.567 1.00 0.00 H new ATOM 0 HA3 GLY A 61 2.311 10.158 -4.528 1.00 0.00 H new ATOM 899 N THR A 62 0.111 8.187 -3.248 1.00 0.00 N ATOM 900 CA THR A 62 -0.255 7.347 -2.104 1.00 0.00 C ATOM 901 C THR A 62 -1.405 6.420 -2.489 1.00 0.00 C ATOM 902 O THR A 62 -1.987 6.554 -3.567 1.00 0.00 O ATOM 903 CB THR A 62 -0.681 8.224 -0.921 1.00 0.00 C ATOM 904 OG1 THR A 62 -1.882 8.907 -1.249 1.00 0.00 O ATOM 905 CG2 THR A 62 0.419 9.242 -0.610 1.00 0.00 C ATOM 0 H THR A 62 -0.684 8.509 -3.800 1.00 0.00 H new ATOM 0 HA THR A 62 0.611 6.751 -1.815 1.00 0.00 H new ATOM 0 HB THR A 62 -0.846 7.596 -0.046 1.00 0.00 H new ATOM 0 HG1 THR A 62 -2.522 8.814 -0.513 1.00 0.00 H new ATOM 0 HG21 THR A 62 0.112 9.863 0.231 1.00 0.00 H new ATOM 0 HG22 THR A 62 1.340 8.717 -0.357 1.00 0.00 H new ATOM 0 HG23 THR A 62 0.589 9.872 -1.483 1.00 0.00 H new ATOM 913 N ILE A 63 -1.742 5.489 -1.596 1.00 0.00 N ATOM 914 CA ILE A 63 -2.835 4.543 -1.850 1.00 0.00 C ATOM 915 C ILE A 63 -3.890 4.672 -0.756 1.00 0.00 C ATOM 916 O ILE A 63 -3.569 4.638 0.432 1.00 0.00 O ATOM 917 CB ILE A 63 -2.300 3.106 -1.866 1.00 0.00 C ATOM 918 CG1 ILE A 63 -0.948 3.068 -2.584 1.00 0.00 C ATOM 919 CG2 ILE A 63 -3.285 2.196 -2.610 1.00 0.00 C ATOM 920 CD1 ILE A 63 -0.458 1.617 -2.681 1.00 0.00 C ATOM 0 H ILE A 63 -1.279 5.368 -0.695 1.00 0.00 H new ATOM 0 HA ILE A 63 -3.278 4.772 -2.819 1.00 0.00 H new ATOM 0 HB ILE A 63 -2.182 2.759 -0.839 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -1.042 3.498 -3.581 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -0.220 3.673 -2.043 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -2.902 1.176 -2.619 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -4.251 2.216 -2.106 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -3.403 2.549 -3.635 1.00 0.00 H new ATOM 0 HD11 ILE A 63 0.504 1.591 -3.192 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -0.348 1.202 -1.679 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -1.182 1.025 -3.241 1.00 0.00 H new ATOM 932 N GLU A 64 -5.153 4.827 -1.157 1.00 0.00 N ATOM 933 CA GLU A 64 -6.246 4.973 -0.194 1.00 0.00 C ATOM 934 C GLU A 64 -6.982 3.645 -0.027 1.00 0.00 C ATOM 935 O GLU A 64 -6.713 2.683 -0.746 1.00 0.00 O ATOM 936 CB GLU A 64 -7.217 6.061 -0.663 1.00 0.00 C ATOM 937 CG GLU A 64 -6.534 7.430 -0.588 1.00 0.00 C ATOM 938 CD GLU A 64 -7.476 8.514 -1.107 1.00 0.00 C ATOM 939 OE1 GLU A 64 -8.627 8.197 -1.367 1.00 0.00 O ATOM 940 OE2 GLU A 64 -7.037 9.645 -1.228 1.00 0.00 O ATOM 0 H GLU A 64 -5.443 4.855 -2.134 1.00 0.00 H new ATOM 0 HA GLU A 64 -5.830 5.265 0.770 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -7.538 5.860 -1.685 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -8.112 6.056 -0.041 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -6.249 7.647 0.441 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -5.617 7.421 -1.178 1.00 0.00 H new ATOM 947 N PHE A 65 -7.896 3.587 0.937 1.00 0.00 N ATOM 948 CA PHE A 65 -8.638 2.355 1.179 1.00 0.00 C ATOM 949 C PHE A 65 -9.306 1.865 -0.104 1.00 0.00 C ATOM 950 O PHE A 65 -9.191 0.691 -0.456 1.00 0.00 O ATOM 951 CB PHE A 65 -9.699 2.582 2.265 1.00 0.00 C ATOM 952 CG PHE A 65 -10.791 1.533 2.151 1.00 0.00 C ATOM 953 CD1 PHE A 65 -10.551 0.222 2.589 1.00 0.00 C ATOM 954 CD2 PHE A 65 -12.038 1.872 1.613 1.00 0.00 C ATOM 955 CE1 PHE A 65 -11.556 -0.746 2.486 1.00 0.00 C ATOM 956 CE2 PHE A 65 -13.044 0.901 1.510 1.00 0.00 C ATOM 957 CZ PHE A 65 -12.802 -0.408 1.947 1.00 0.00 C ATOM 0 H PHE A 65 -8.138 4.363 1.553 1.00 0.00 H new ATOM 0 HA PHE A 65 -7.935 1.593 1.517 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -9.238 2.533 3.251 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -10.128 3.579 2.163 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -9.590 -0.040 3.006 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -12.225 2.881 1.277 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -11.370 -1.755 2.823 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -14.006 1.162 1.094 1.00 0.00 H new ATOM 0 HZ PHE A 65 -13.577 -1.156 1.868 1.00 0.00 H new ATOM 967 N ASP A 66 -10.010 2.754 -0.796 1.00 0.00 N ATOM 968 CA ASP A 66 -10.685 2.361 -2.028 1.00 0.00 C ATOM 969 C ASP A 66 -9.670 1.867 -3.048 1.00 0.00 C ATOM 970 O ASP A 66 -9.900 0.868 -3.730 1.00 0.00 O ATOM 971 CB ASP A 66 -11.460 3.553 -2.599 1.00 0.00 C ATOM 972 CG ASP A 66 -12.676 3.854 -1.733 1.00 0.00 C ATOM 973 OD1 ASP A 66 -13.062 2.987 -0.973 1.00 0.00 O ATOM 974 OD2 ASP A 66 -13.204 4.949 -1.845 1.00 0.00 O ATOM 0 H ASP A 66 -10.127 3.732 -0.533 1.00 0.00 H new ATOM 0 HA ASP A 66 -11.382 1.553 -1.806 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -10.812 4.428 -2.646 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -11.776 3.335 -3.619 1.00 0.00 H new ATOM 979 N GLU A 67 -8.550 2.564 -3.143 1.00 0.00 N ATOM 980 CA GLU A 67 -7.515 2.181 -4.085 1.00 0.00 C ATOM 981 C GLU A 67 -6.883 0.862 -3.656 1.00 0.00 C ATOM 982 O GLU A 67 -6.698 -0.042 -4.471 1.00 0.00 O ATOM 983 CB GLU A 67 -6.442 3.273 -4.150 1.00 0.00 C ATOM 984 CG GLU A 67 -6.983 4.474 -4.930 1.00 0.00 C ATOM 985 CD GLU A 67 -5.918 5.560 -5.018 1.00 0.00 C ATOM 986 OE1 GLU A 67 -4.815 5.321 -4.550 1.00 0.00 O ATOM 987 OE2 GLU A 67 -6.221 6.619 -5.542 1.00 0.00 O ATOM 0 H GLU A 67 -8.336 3.390 -2.584 1.00 0.00 H new ATOM 0 HA GLU A 67 -7.961 2.057 -5.072 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -6.157 3.578 -3.143 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -5.544 2.887 -4.632 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -7.281 4.163 -5.931 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -7.874 4.866 -4.439 1.00 0.00 H new ATOM 994 N PHE A 68 -6.570 0.753 -2.370 1.00 0.00 N ATOM 995 CA PHE A 68 -5.969 -0.466 -1.846 1.00 0.00 C ATOM 996 C PHE A 68 -6.899 -1.660 -2.051 1.00 0.00 C ATOM 997 O PHE A 68 -6.469 -2.725 -2.492 1.00 0.00 O ATOM 998 CB PHE A 68 -5.660 -0.304 -0.356 1.00 0.00 C ATOM 999 CG PHE A 68 -5.051 -1.583 0.176 1.00 0.00 C ATOM 1000 CD1 PHE A 68 -3.710 -1.892 -0.086 1.00 0.00 C ATOM 1001 CD2 PHE A 68 -5.836 -2.465 0.931 1.00 0.00 C ATOM 1002 CE1 PHE A 68 -3.157 -3.078 0.405 1.00 0.00 C ATOM 1003 CE2 PHE A 68 -5.280 -3.652 1.424 1.00 0.00 C ATOM 1004 CZ PHE A 68 -3.940 -3.957 1.161 1.00 0.00 C ATOM 0 H PHE A 68 -6.721 1.486 -1.677 1.00 0.00 H new ATOM 0 HA PHE A 68 -5.042 -0.648 -2.389 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -4.973 0.529 -0.205 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -6.572 -0.068 0.192 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -3.103 -1.214 -0.668 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -6.870 -2.229 1.133 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -2.124 -3.316 0.200 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -5.885 -4.331 2.007 1.00 0.00 H new ATOM 0 HZ PHE A 68 -3.510 -4.872 1.542 1.00 0.00 H new ATOM 1014 N LEU A 69 -8.176 -1.480 -1.729 1.00 0.00 N ATOM 1015 CA LEU A 69 -9.152 -2.556 -1.884 1.00 0.00 C ATOM 1016 C LEU A 69 -9.261 -2.960 -3.357 1.00 0.00 C ATOM 1017 O LEU A 69 -9.334 -4.142 -3.691 1.00 0.00 O ATOM 1018 CB LEU A 69 -10.525 -2.084 -1.354 1.00 0.00 C ATOM 1019 CG LEU A 69 -11.578 -3.195 -1.531 1.00 0.00 C ATOM 1020 CD1 LEU A 69 -12.503 -3.237 -0.306 1.00 0.00 C ATOM 1021 CD2 LEU A 69 -12.410 -2.944 -2.803 1.00 0.00 C ATOM 0 H LEU A 69 -8.558 -0.608 -1.362 1.00 0.00 H new ATOM 0 HA LEU A 69 -8.827 -3.425 -1.311 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -10.443 -1.816 -0.301 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -10.840 -1.187 -1.888 1.00 0.00 H new ATOM 0 HG LEU A 69 -11.065 -4.152 -1.628 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -13.245 -4.024 -0.437 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -11.914 -3.439 0.588 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -13.008 -2.277 -0.198 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -13.150 -3.736 -2.916 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -12.917 -1.983 -2.722 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -11.752 -2.935 -3.672 1.00 0.00 H new ATOM 1033 N SER A 70 -9.238 -1.970 -4.237 1.00 0.00 N ATOM 1034 CA SER A 70 -9.325 -2.251 -5.666 1.00 0.00 C ATOM 1035 C SER A 70 -8.111 -3.060 -6.132 1.00 0.00 C ATOM 1036 O SER A 70 -8.243 -4.045 -6.868 1.00 0.00 O ATOM 1037 CB SER A 70 -9.419 -0.948 -6.459 1.00 0.00 C ATOM 1038 OG SER A 70 -8.257 -0.167 -6.219 1.00 0.00 O ATOM 0 H SER A 70 -9.161 -0.982 -3.996 1.00 0.00 H new ATOM 0 HA SER A 70 -10.225 -2.839 -5.844 1.00 0.00 H new ATOM 0 HB2 SER A 70 -9.513 -1.163 -7.523 1.00 0.00 H new ATOM 0 HB3 SER A 70 -10.311 -0.394 -6.166 1.00 0.00 H new ATOM 0 HG SER A 70 -7.934 -0.333 -5.309 1.00 0.00 H new ATOM 1044 N LEU A 71 -6.929 -2.633 -5.696 1.00 0.00 N ATOM 1045 CA LEU A 71 -5.699 -3.312 -6.089 1.00 0.00 C ATOM 1046 C LEU A 71 -5.735 -4.775 -5.680 1.00 0.00 C ATOM 1047 O LEU A 71 -5.357 -5.652 -6.448 1.00 0.00 O ATOM 1048 CB LEU A 71 -4.489 -2.625 -5.447 1.00 0.00 C ATOM 1049 CG LEU A 71 -3.182 -3.341 -5.837 1.00 0.00 C ATOM 1050 CD1 LEU A 71 -3.072 -3.460 -7.365 1.00 0.00 C ATOM 1051 CD2 LEU A 71 -1.987 -2.539 -5.304 1.00 0.00 C ATOM 0 H LEU A 71 -6.797 -1.831 -5.079 1.00 0.00 H new ATOM 0 HA LEU A 71 -5.612 -3.256 -7.174 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -4.446 -1.583 -5.764 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -4.599 -2.624 -4.363 1.00 0.00 H new ATOM 0 HG LEU A 71 -3.184 -4.341 -5.404 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -2.143 -3.968 -7.624 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -3.918 -4.032 -7.747 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -3.077 -2.464 -7.809 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -1.060 -3.042 -5.578 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -1.998 -1.539 -5.737 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -2.053 -2.466 -4.218 1.00 0.00 H new ATOM 1063 N MET A 72 -6.213 -5.038 -4.479 1.00 0.00 N ATOM 1064 CA MET A 72 -6.297 -6.410 -3.995 1.00 0.00 C ATOM 1065 C MET A 72 -7.334 -7.188 -4.786 1.00 0.00 C ATOM 1066 O MET A 72 -7.035 -8.239 -5.347 1.00 0.00 O ATOM 1067 CB MET A 72 -6.662 -6.421 -2.504 1.00 0.00 C ATOM 1068 CG MET A 72 -5.422 -6.061 -1.629 1.00 0.00 C ATOM 1069 SD MET A 72 -5.837 -6.245 0.124 1.00 0.00 S ATOM 1070 CE MET A 72 -5.307 -7.968 0.294 1.00 0.00 C ATOM 0 H MET A 72 -6.547 -4.331 -3.824 1.00 0.00 H new ATOM 0 HA MET A 72 -5.325 -6.885 -4.128 1.00 0.00 H new ATOM 0 HB2 MET A 72 -7.465 -5.708 -2.316 1.00 0.00 H new ATOM 0 HB3 MET A 72 -7.037 -7.405 -2.224 1.00 0.00 H new ATOM 0 HG2 MET A 72 -4.584 -6.710 -1.884 1.00 0.00 H new ATOM 0 HG3 MET A 72 -5.106 -5.038 -1.832 1.00 0.00 H new ATOM 0 HE1 MET A 72 -5.474 -8.301 1.318 1.00 0.00 H new ATOM 0 HE2 MET A 72 -5.881 -8.594 -0.389 1.00 0.00 H new ATOM 0 HE3 MET A 72 -4.246 -8.048 0.055 1.00 0.00 H new ATOM 1080 N ALA A 73 -8.549 -6.669 -4.836 1.00 0.00 N ATOM 1081 CA ALA A 73 -9.607 -7.328 -5.590 1.00 0.00 C ATOM 1082 C ALA A 73 -9.278 -7.354 -7.080 1.00 0.00 C ATOM 1083 O ALA A 73 -9.673 -8.276 -7.796 1.00 0.00 O ATOM 1084 CB ALA A 73 -10.934 -6.603 -5.377 1.00 0.00 C ATOM 0 H ALA A 73 -8.827 -5.805 -4.371 1.00 0.00 H new ATOM 0 HA ALA A 73 -9.689 -8.354 -5.230 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -11.718 -7.104 -5.945 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -11.189 -6.616 -4.317 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -10.843 -5.571 -5.716 1.00 0.00 H new ATOM 1090 N LYS A 74 -8.555 -6.341 -7.548 1.00 0.00 N ATOM 1091 CA LYS A 74 -8.182 -6.284 -8.962 1.00 0.00 C ATOM 1092 C LYS A 74 -7.207 -7.411 -9.307 1.00 0.00 C ATOM 1093 O LYS A 74 -7.189 -7.887 -10.437 1.00 0.00 O ATOM 1094 CB LYS A 74 -7.556 -4.888 -9.274 1.00 0.00 C ATOM 1095 CG LYS A 74 -7.003 -4.825 -10.713 1.00 0.00 C ATOM 1096 CD LYS A 74 -5.506 -5.072 -10.721 1.00 0.00 C ATOM 1097 CE LYS A 74 -4.962 -4.766 -12.118 1.00 0.00 C ATOM 1098 NZ LYS A 74 -5.693 -5.590 -13.118 1.00 0.00 N ATOM 0 H LYS A 74 -8.220 -5.561 -6.983 1.00 0.00 H new ATOM 0 HA LYS A 74 -9.072 -6.418 -9.577 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -8.309 -4.112 -9.138 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -6.754 -4.681 -8.565 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -7.503 -5.569 -11.333 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -7.218 -3.849 -11.149 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -5.016 -4.442 -9.979 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -5.293 -6.106 -10.451 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -5.082 -3.707 -12.344 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -3.895 -4.982 -12.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -5.043 -5.867 -13.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -6.069 -6.443 -12.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -6.479 -5.037 -13.516 1.00 0.00 H new ATOM 1112 N LYS A 75 -6.371 -7.787 -8.352 1.00 0.00 N ATOM 1113 CA LYS A 75 -5.396 -8.849 -8.598 1.00 0.00 C ATOM 1114 C LYS A 75 -6.059 -10.200 -8.383 1.00 0.00 C ATOM 1115 O LYS A 75 -5.896 -11.123 -9.182 1.00 0.00 O ATOM 1116 CB LYS A 75 -4.178 -8.696 -7.683 1.00 0.00 C ATOM 1117 CG LYS A 75 -3.385 -7.450 -8.082 1.00 0.00 C ATOM 1118 CD LYS A 75 -2.349 -7.129 -6.996 1.00 0.00 C ATOM 1119 CE LYS A 75 -1.324 -8.262 -6.916 1.00 0.00 C ATOM 1120 NZ LYS A 75 -0.117 -7.787 -6.182 1.00 0.00 N ATOM 0 H LYS A 75 -6.343 -7.385 -7.415 1.00 0.00 H new ATOM 0 HA LYS A 75 -5.047 -8.778 -9.628 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -4.499 -8.617 -6.644 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -3.544 -9.580 -7.754 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -2.886 -7.614 -9.037 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -4.060 -6.605 -8.216 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -1.849 -6.187 -7.223 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -2.844 -7.003 -6.033 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -1.757 -9.123 -6.407 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -1.048 -8.589 -7.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 0.581 -8.556 -6.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 0.299 -6.978 -6.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -0.387 -7.495 -5.221 1.00 0.00 H new ATOM 1134 N VAL A 76 -6.828 -10.301 -7.300 1.00 0.00 N ATOM 1135 CA VAL A 76 -7.538 -11.533 -6.995 1.00 0.00 C ATOM 1136 C VAL A 76 -8.928 -11.520 -7.611 1.00 0.00 C ATOM 1137 O VAL A 76 -9.783 -12.322 -7.233 1.00 0.00 O ATOM 1138 CB VAL A 76 -7.646 -11.725 -5.479 1.00 0.00 C ATOM 1139 CG1 VAL A 76 -8.032 -13.173 -5.151 1.00 0.00 C ATOM 1140 CG2 VAL A 76 -6.291 -11.401 -4.832 1.00 0.00 C ATOM 0 H VAL A 76 -6.972 -9.549 -6.626 1.00 0.00 H new ATOM 0 HA VAL A 76 -6.974 -12.363 -7.421 1.00 0.00 H new ATOM 0 HB VAL A 76 -8.415 -11.058 -5.090 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -8.105 -13.294 -4.070 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -8.994 -13.406 -5.608 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -7.272 -13.850 -5.541 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -6.362 -11.536 -3.753 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -5.528 -12.069 -5.232 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -6.021 -10.368 -5.052 1.00 0.00 H new ATOM 1150 N LYS A 77 -9.173 -10.595 -8.537 1.00 0.00 N ATOM 1151 CA LYS A 77 -10.485 -10.517 -9.142 1.00 0.00 C ATOM 1152 C LYS A 77 -10.950 -11.903 -9.563 1.00 0.00 C ATOM 1153 O LYS A 77 -12.124 -12.105 -9.866 1.00 0.00 O ATOM 1154 CB LYS A 77 -10.413 -9.582 -10.369 1.00 0.00 C ATOM 1155 CG LYS A 77 -11.818 -9.310 -10.934 1.00 0.00 C ATOM 1156 CD LYS A 77 -11.716 -8.323 -12.102 1.00 0.00 C ATOM 1157 CE LYS A 77 -13.109 -8.025 -12.651 1.00 0.00 C ATOM 1158 NZ LYS A 77 -12.992 -7.085 -13.797 1.00 0.00 N ATOM 0 H LYS A 77 -8.496 -9.910 -8.872 1.00 0.00 H new ATOM 0 HA LYS A 77 -11.200 -10.120 -8.421 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -9.941 -8.641 -10.087 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -9.788 -10.033 -11.139 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -12.273 -10.242 -11.270 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -12.463 -8.903 -10.155 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -11.241 -7.400 -11.770 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -11.087 -8.740 -12.888 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -13.592 -8.948 -12.970 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -13.735 -7.591 -11.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -13.939 -6.879 -14.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -12.547 -6.201 -13.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -12.409 -7.517 -14.542 1.00 0.00 H new ATOM 1172 N ASP A 78 -10.028 -12.849 -9.588 1.00 0.00 N ATOM 1173 CA ASP A 78 -10.374 -14.197 -10.003 1.00 0.00 C ATOM 1174 C ASP A 78 -11.507 -14.743 -9.148 1.00 0.00 C ATOM 1175 O ASP A 78 -12.560 -15.115 -9.666 1.00 0.00 O ATOM 1176 CB ASP A 78 -9.156 -15.104 -9.894 1.00 0.00 C ATOM 1177 CG ASP A 78 -9.537 -16.530 -10.251 1.00 0.00 C ATOM 1178 OD1 ASP A 78 -10.626 -16.711 -10.752 1.00 0.00 O ATOM 1179 OD2 ASP A 78 -8.734 -17.423 -10.025 1.00 0.00 O ATOM 0 H ASP A 78 -9.050 -12.713 -9.331 1.00 0.00 H new ATOM 0 HA ASP A 78 -10.705 -14.167 -11.041 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -8.369 -14.751 -10.561 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -8.755 -15.069 -8.881 1.00 0.00 H new ATOM 1184 N THR A 79 -11.298 -14.773 -7.835 1.00 0.00 N ATOM 1185 CA THR A 79 -12.325 -15.265 -6.926 1.00 0.00 C ATOM 1186 C THR A 79 -12.338 -14.446 -5.637 1.00 0.00 C ATOM 1187 O THR A 79 -11.585 -13.488 -5.558 1.00 0.00 O ATOM 1188 CB THR A 79 -12.066 -16.748 -6.606 1.00 0.00 C ATOM 1189 OG1 THR A 79 -10.688 -16.930 -6.318 1.00 0.00 O ATOM 1190 CG2 THR A 79 -12.458 -17.622 -7.802 1.00 0.00 C ATOM 1191 OXT THR A 79 -13.099 -14.788 -4.745 1.00 0.00 O ATOM 0 H THR A 79 -10.437 -14.466 -7.382 1.00 0.00 H new ATOM 0 HA THR A 79 -13.298 -15.164 -7.408 1.00 0.00 H new ATOM 0 HB THR A 79 -12.666 -17.039 -5.744 1.00 0.00 H new ATOM 0 HG1 THR A 79 -10.519 -17.873 -6.112 1.00 0.00 H new ATOM 0 HG21 THR A 79 -12.271 -18.669 -7.564 1.00 0.00 H new ATOM 0 HG22 THR A 79 -13.517 -17.484 -8.022 1.00 0.00 H new ATOM 0 HG23 THR A 79 -11.866 -17.336 -8.671 1.00 0.00 H new TER 1199 THR A 79 HETATM 1200 CA CA A 179 0.214 4.631 6.360 1.00 0.00 CA HETATM 1201 CA CA A 192 -3.825 8.157 -4.314 1.00 0.00 CA