USER MOD reduce.3.24.130724 H: found=0, std=0, add=591, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 592 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 39 THR OG1 : rot 80:sc= -2.06 USER MOD Set 1.2: A 52 ASN : amide:sc= -1.07 K(o=-3.1,f=-2) USER MOD Single : A 11 CYS SG : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -0.378 K(o=-0.38,f=-1.7!) USER MOD Single : A 23 THR OG1 : rot -170:sc= 0.0207 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 165:sc= -2.93 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot -103:sc= 0.659 USER MOD Single : A 41 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 42 TYR OH : rot -140:sc= 0.0465 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= -0.0192 USER MOD Single : A 55 ASN : amide:sc= 0.0583 K(o=0.058,f=-7.1!) USER MOD Single : A 58 SER OG : rot 180:sc= -0.105 USER MOD Single : A 67 HIS : no HD1:sc= -2.27 X(o=-2.3,f=-2.7) USER MOD Single : A 68 LYS NZ :NH3+ -153:sc= -1.4 (180deg=-2.9!) USER MOD Single : A 69 THR OG1 : rot -27:sc= 0.567 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 MET CE :methyl -144:sc= -0.531 (180deg=-4.25!) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -2.941 4.055 0.414 1.00 0.00 N ATOM 60 CA GLY A 7 -1.733 3.366 0.829 1.00 0.00 C ATOM 61 C GLY A 7 -2.009 2.274 1.844 1.00 0.00 C ATOM 62 O GLY A 7 -3.113 2.179 2.380 1.00 0.00 O ATOM 0 HA2 GLY A 7 -1.248 2.931 -0.045 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -1.035 4.087 1.256 1.00 0.00 H new ATOM 66 N LEU A 8 -1.004 1.446 2.106 1.00 0.00 N ATOM 67 CA LEU A 8 -1.143 0.352 3.062 1.00 0.00 C ATOM 68 C LEU A 8 0.214 -0.051 3.630 1.00 0.00 C ATOM 69 O LEU A 8 1.161 -0.300 2.883 1.00 0.00 O ATOM 70 CB LEU A 8 -1.808 -0.853 2.394 1.00 0.00 C ATOM 71 CG LEU A 8 -3.337 -0.852 2.375 1.00 0.00 C ATOM 72 CD1 LEU A 8 -3.861 -1.957 1.471 1.00 0.00 C ATOM 73 CD2 LEU A 8 -3.887 -1.008 3.786 1.00 0.00 C ATOM 0 H LEU A 8 -0.084 1.511 1.670 1.00 0.00 H new ATOM 0 HA LEU A 8 -1.771 0.697 3.883 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -1.452 -0.915 1.366 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -1.472 -1.756 2.903 1.00 0.00 H new ATOM 0 HG LEU A 8 -3.676 0.105 1.977 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -4.951 -1.940 1.470 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -3.495 -1.801 0.456 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -3.513 -2.923 1.838 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -4.977 -1.005 3.754 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -3.539 -1.950 4.210 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -3.540 -0.181 4.405 1.00 0.00 H new ATOM 85 N ILE A 9 0.299 -0.116 4.954 1.00 0.00 N ATOM 86 CA ILE A 9 1.539 -0.492 5.622 1.00 0.00 C ATOM 87 C ILE A 9 1.544 -1.976 5.976 1.00 0.00 C ATOM 88 O ILE A 9 0.935 -2.392 6.960 1.00 0.00 O ATOM 89 CB ILE A 9 1.760 0.330 6.904 1.00 0.00 C ATOM 90 CG1 ILE A 9 1.537 1.819 6.626 1.00 0.00 C ATOM 91 CG2 ILE A 9 3.160 0.093 7.451 1.00 0.00 C ATOM 92 CD1 ILE A 9 2.547 2.413 5.671 1.00 0.00 C ATOM 0 H ILE A 9 -0.476 0.087 5.586 1.00 0.00 H new ATOM 0 HA ILE A 9 2.349 -0.284 4.923 1.00 0.00 H new ATOM 0 HB ILE A 9 1.038 0.007 7.654 1.00 0.00 H new ATOM 0 HG12 ILE A 9 0.536 1.958 6.217 1.00 0.00 H new ATOM 0 HG13 ILE A 9 1.575 2.366 7.568 1.00 0.00 H new ATOM 0 HG21 ILE A 9 3.301 0.681 8.358 1.00 0.00 H new ATOM 0 HG22 ILE A 9 3.286 -0.965 7.682 1.00 0.00 H new ATOM 0 HG23 ILE A 9 3.897 0.392 6.706 1.00 0.00 H new ATOM 0 HD11 ILE A 9 2.328 3.470 5.521 1.00 0.00 H new ATOM 0 HD12 ILE A 9 3.548 2.306 6.088 1.00 0.00 H new ATOM 0 HD13 ILE A 9 2.494 1.892 4.715 1.00 0.00 H new ATOM 104 N ALA A 10 2.239 -2.769 5.167 1.00 0.00 N ATOM 105 CA ALA A 10 2.327 -4.206 5.396 1.00 0.00 C ATOM 106 C ALA A 10 3.509 -4.546 6.299 1.00 0.00 C ATOM 107 O ALA A 10 4.665 -4.363 5.918 1.00 0.00 O ATOM 108 CB ALA A 10 2.442 -4.945 4.072 1.00 0.00 C ATOM 0 H ALA A 10 2.749 -2.441 4.347 1.00 0.00 H new ATOM 0 HA ALA A 10 1.415 -4.526 5.900 1.00 0.00 H new ATOM 0 HB1 ALA A 10 2.507 -6.017 4.258 1.00 0.00 H new ATOM 0 HB2 ALA A 10 1.564 -4.735 3.461 1.00 0.00 H new ATOM 0 HB3 ALA A 10 3.338 -4.613 3.547 1.00 0.00 H new ATOM 114 N CYS A 11 3.210 -5.039 7.495 1.00 0.00 N ATOM 115 CA CYS A 11 4.248 -5.403 8.453 1.00 0.00 C ATOM 116 C CYS A 11 4.603 -6.882 8.334 1.00 0.00 C ATOM 117 O CYS A 11 3.857 -7.749 8.789 1.00 0.00 O ATOM 118 CB CYS A 11 3.789 -5.090 9.877 1.00 0.00 C ATOM 119 SG CYS A 11 5.135 -4.977 11.079 1.00 0.00 S ATOM 0 H CYS A 11 2.258 -5.196 7.825 1.00 0.00 H new ATOM 0 HA CYS A 11 5.138 -4.815 8.228 1.00 0.00 H new ATOM 0 HB2 CYS A 11 3.241 -4.148 9.872 1.00 0.00 H new ATOM 0 HB3 CYS A 11 3.091 -5.863 10.200 1.00 0.00 H new ATOM 0 HG CYS A 11 4.647 -4.707 12.253 1.00 0.00 H new ATOM 125 N VAL A 12 5.746 -7.162 7.718 1.00 0.00 N ATOM 126 CA VAL A 12 6.202 -8.536 7.538 1.00 0.00 C ATOM 127 C VAL A 12 7.226 -8.919 8.601 1.00 0.00 C ATOM 128 O VAL A 12 8.110 -8.133 8.937 1.00 0.00 O ATOM 129 CB VAL A 12 6.822 -8.744 6.144 1.00 0.00 C ATOM 130 CG1 VAL A 12 6.557 -10.158 5.647 1.00 0.00 C ATOM 131 CG2 VAL A 12 6.281 -7.715 5.162 1.00 0.00 C ATOM 0 H VAL A 12 6.374 -6.456 7.335 1.00 0.00 H new ATOM 0 HA VAL A 12 5.325 -9.176 7.636 1.00 0.00 H new ATOM 0 HB VAL A 12 7.901 -8.608 6.221 1.00 0.00 H new ATOM 0 HG11 VAL A 12 7.003 -10.286 4.661 1.00 0.00 H new ATOM 0 HG12 VAL A 12 6.997 -10.876 6.340 1.00 0.00 H new ATOM 0 HG13 VAL A 12 5.482 -10.326 5.584 1.00 0.00 H new ATOM 0 HG21 VAL A 12 6.730 -7.876 4.182 1.00 0.00 H new ATOM 0 HG22 VAL A 12 5.198 -7.818 5.087 1.00 0.00 H new ATOM 0 HG23 VAL A 12 6.527 -6.713 5.513 1.00 0.00 H new ATOM 141 N ALA A 13 7.100 -10.135 9.125 1.00 0.00 N ATOM 142 CA ALA A 13 8.015 -10.624 10.147 1.00 0.00 C ATOM 143 C ALA A 13 9.066 -11.550 9.545 1.00 0.00 C ATOM 144 O ALA A 13 10.044 -11.904 10.201 1.00 0.00 O ATOM 145 CB ALA A 13 7.245 -11.340 11.247 1.00 0.00 C ATOM 0 H ALA A 13 6.373 -10.798 8.858 1.00 0.00 H new ATOM 0 HA ALA A 13 8.530 -9.766 10.579 1.00 0.00 H new ATOM 0 HB1 ALA A 13 7.942 -11.700 12.004 1.00 0.00 H new ATOM 0 HB2 ALA A 13 6.537 -10.649 11.705 1.00 0.00 H new ATOM 0 HB3 ALA A 13 6.703 -12.185 10.821 1.00 0.00 H new ATOM 151 N ASN A 14 8.855 -11.941 8.291 1.00 0.00 N ATOM 152 CA ASN A 14 9.784 -12.829 7.601 1.00 0.00 C ATOM 153 C ASN A 14 10.935 -12.039 6.985 1.00 0.00 C ATOM 154 O ASN A 14 10.784 -11.421 5.931 1.00 0.00 O ATOM 155 CB ASN A 14 9.054 -13.619 6.514 1.00 0.00 C ATOM 156 CG ASN A 14 9.334 -15.108 6.595 1.00 0.00 C ATOM 157 OD1 ASN A 14 10.309 -15.535 7.213 1.00 0.00 O ATOM 158 ND2 ASN A 14 8.476 -15.905 5.970 1.00 0.00 N ATOM 0 H ASN A 14 8.050 -11.657 7.733 1.00 0.00 H new ATOM 0 HA ASN A 14 10.195 -13.525 8.333 1.00 0.00 H new ATOM 0 HB2 ASN A 14 7.981 -13.448 6.603 1.00 0.00 H new ATOM 0 HB3 ASN A 14 9.356 -13.248 5.534 1.00 0.00 H new ATOM 0 HD21 ASN A 14 8.611 -16.916 5.990 1.00 0.00 H new ATOM 0 HD22 ASN A 14 7.681 -15.507 5.470 1.00 0.00 H new ATOM 165 N ASP A 15 12.085 -12.065 7.651 1.00 0.00 N ATOM 166 CA ASP A 15 13.263 -11.353 7.168 1.00 0.00 C ATOM 167 C ASP A 15 13.570 -11.728 5.721 1.00 0.00 C ATOM 168 O ASP A 15 14.240 -10.983 5.005 1.00 0.00 O ATOM 169 CB ASP A 15 14.470 -11.661 8.055 1.00 0.00 C ATOM 170 CG ASP A 15 14.980 -13.076 7.869 1.00 0.00 C ATOM 171 OD1 ASP A 15 14.168 -14.018 7.985 1.00 0.00 O ATOM 172 OD2 ASP A 15 16.190 -13.241 7.608 1.00 0.00 O ATOM 0 H ASP A 15 12.226 -12.571 8.525 1.00 0.00 H new ATOM 0 HA ASP A 15 13.054 -10.284 7.210 1.00 0.00 H new ATOM 0 HB2 ASP A 15 15.271 -10.957 7.830 1.00 0.00 H new ATOM 0 HB3 ASP A 15 14.197 -11.511 9.100 1.00 0.00 H new ATOM 177 N ASP A 16 13.078 -12.887 5.299 1.00 0.00 N ATOM 178 CA ASP A 16 13.299 -13.361 3.938 1.00 0.00 C ATOM 179 C ASP A 16 12.689 -12.402 2.922 1.00 0.00 C ATOM 180 O ASP A 16 13.350 -11.984 1.972 1.00 0.00 O ATOM 181 CB ASP A 16 12.704 -14.759 3.759 1.00 0.00 C ATOM 182 CG ASP A 16 13.370 -15.790 4.648 1.00 0.00 C ATOM 183 OD1 ASP A 16 14.379 -16.385 4.215 1.00 0.00 O ATOM 184 OD2 ASP A 16 12.884 -16.001 5.779 1.00 0.00 O ATOM 0 H ASP A 16 12.523 -13.516 5.880 1.00 0.00 H new ATOM 0 HA ASP A 16 14.374 -13.407 3.767 1.00 0.00 H new ATOM 0 HB2 ASP A 16 11.637 -14.728 3.980 1.00 0.00 H new ATOM 0 HB3 ASP A 16 12.805 -15.063 2.717 1.00 0.00 H new ATOM 189 N VAL A 17 11.422 -12.057 3.128 1.00 0.00 N ATOM 190 CA VAL A 17 10.721 -11.146 2.229 1.00 0.00 C ATOM 191 C VAL A 17 11.610 -9.971 1.837 1.00 0.00 C ATOM 192 O VAL A 17 11.428 -9.368 0.779 1.00 0.00 O ATOM 193 CB VAL A 17 9.429 -10.608 2.871 1.00 0.00 C ATOM 194 CG1 VAL A 17 8.874 -9.445 2.062 1.00 0.00 C ATOM 195 CG2 VAL A 17 8.397 -11.718 3.001 1.00 0.00 C ATOM 0 H VAL A 17 10.860 -12.394 3.909 1.00 0.00 H new ATOM 0 HA VAL A 17 10.463 -11.716 1.337 1.00 0.00 H new ATOM 0 HB VAL A 17 9.665 -10.243 3.871 1.00 0.00 H new ATOM 0 HG11 VAL A 17 7.961 -9.078 2.531 1.00 0.00 H new ATOM 0 HG12 VAL A 17 9.611 -8.643 2.026 1.00 0.00 H new ATOM 0 HG13 VAL A 17 8.652 -9.780 1.049 1.00 0.00 H new ATOM 0 HG21 VAL A 17 7.490 -11.320 3.457 1.00 0.00 H new ATOM 0 HG22 VAL A 17 8.163 -12.115 2.013 1.00 0.00 H new ATOM 0 HG23 VAL A 17 8.797 -12.516 3.627 1.00 0.00 H new ATOM 205 N PHE A 18 12.570 -9.649 2.697 1.00 0.00 N ATOM 206 CA PHE A 18 13.487 -8.544 2.441 1.00 0.00 C ATOM 207 C PHE A 18 14.731 -9.031 1.705 1.00 0.00 C ATOM 208 O PHE A 18 15.805 -8.438 1.819 1.00 0.00 O ATOM 209 CB PHE A 18 13.888 -7.871 3.755 1.00 0.00 C ATOM 210 CG PHE A 18 12.715 -7.447 4.593 1.00 0.00 C ATOM 211 CD1 PHE A 18 12.008 -8.377 5.339 1.00 0.00 C ATOM 212 CD2 PHE A 18 12.321 -6.120 4.635 1.00 0.00 C ATOM 213 CE1 PHE A 18 10.930 -7.989 6.112 1.00 0.00 C ATOM 214 CE2 PHE A 18 11.244 -5.727 5.406 1.00 0.00 C ATOM 215 CZ PHE A 18 10.546 -6.663 6.145 1.00 0.00 C ATOM 0 H PHE A 18 12.734 -10.137 3.577 1.00 0.00 H new ATOM 0 HA PHE A 18 12.974 -7.817 1.811 1.00 0.00 H new ATOM 0 HB2 PHE A 18 14.507 -8.558 4.332 1.00 0.00 H new ATOM 0 HB3 PHE A 18 14.502 -6.998 3.534 1.00 0.00 H new ATOM 0 HD1 PHE A 18 12.303 -9.416 5.316 1.00 0.00 H new ATOM 0 HD2 PHE A 18 12.862 -5.384 4.059 1.00 0.00 H new ATOM 0 HE1 PHE A 18 10.388 -8.723 6.690 1.00 0.00 H new ATOM 0 HE2 PHE A 18 10.948 -4.689 5.431 1.00 0.00 H new ATOM 0 HZ PHE A 18 9.702 -6.358 6.747 1.00 0.00 H new ATOM 262 N GLU A 22 13.968 -14.273 -4.082 1.00 0.00 N ATOM 263 CA GLU A 22 12.671 -14.372 -4.744 1.00 0.00 C ATOM 264 C GLU A 22 11.534 -14.214 -3.739 1.00 0.00 C ATOM 265 O GLU A 22 10.468 -13.693 -4.067 1.00 0.00 O ATOM 266 CB GLU A 22 12.545 -15.715 -5.467 1.00 0.00 C ATOM 267 CG GLU A 22 11.723 -15.644 -6.742 1.00 0.00 C ATOM 268 CD GLU A 22 12.556 -15.272 -7.954 1.00 0.00 C ATOM 269 OE1 GLU A 22 13.489 -16.033 -8.288 1.00 0.00 O ATOM 270 OE2 GLU A 22 12.275 -14.222 -8.567 1.00 0.00 O ATOM 0 HA GLU A 22 12.601 -13.566 -5.474 1.00 0.00 H new ATOM 0 HB2 GLU A 22 13.542 -16.084 -5.708 1.00 0.00 H new ATOM 0 HB3 GLU A 22 12.091 -16.440 -4.792 1.00 0.00 H new ATOM 0 HG2 GLU A 22 11.246 -16.608 -6.916 1.00 0.00 H new ATOM 0 HG3 GLU A 22 10.926 -14.912 -6.615 1.00 0.00 H new ATOM 277 N THR A 23 11.768 -14.669 -2.512 1.00 0.00 N ATOM 278 CA THR A 23 10.764 -14.580 -1.459 1.00 0.00 C ATOM 279 C THR A 23 10.049 -13.235 -1.495 1.00 0.00 C ATOM 280 O THR A 23 8.834 -13.162 -1.305 1.00 0.00 O ATOM 281 CB THR A 23 11.391 -14.779 -0.067 1.00 0.00 C ATOM 282 OG1 THR A 23 12.301 -15.884 -0.093 1.00 0.00 O ATOM 283 CG2 THR A 23 10.316 -15.025 0.981 1.00 0.00 C ATOM 0 H THR A 23 12.645 -15.103 -2.223 1.00 0.00 H new ATOM 0 HA THR A 23 10.043 -15.377 -1.641 1.00 0.00 H new ATOM 0 HB THR A 23 11.932 -13.870 0.197 1.00 0.00 H new ATOM 0 HG1 THR A 23 12.574 -16.104 0.822 1.00 0.00 H new ATOM 0 HG21 THR A 23 10.783 -15.163 1.956 1.00 0.00 H new ATOM 0 HG22 THR A 23 9.642 -14.169 1.019 1.00 0.00 H new ATOM 0 HG23 THR A 23 9.751 -15.920 0.720 1.00 0.00 H new ATOM 291 N ARG A 24 10.809 -12.171 -1.737 1.00 0.00 N ATOM 292 CA ARG A 24 10.246 -10.827 -1.797 1.00 0.00 C ATOM 293 C ARG A 24 9.068 -10.773 -2.766 1.00 0.00 C ATOM 294 O ARG A 24 7.955 -10.410 -2.386 1.00 0.00 O ATOM 295 CB ARG A 24 11.317 -9.822 -2.222 1.00 0.00 C ATOM 296 CG ARG A 24 10.750 -8.496 -2.702 1.00 0.00 C ATOM 297 CD ARG A 24 11.601 -7.325 -2.237 1.00 0.00 C ATOM 298 NE ARG A 24 11.786 -6.329 -3.290 1.00 0.00 N ATOM 299 CZ ARG A 24 12.636 -6.478 -4.300 1.00 0.00 C ATOM 300 NH1 ARG A 24 13.376 -7.574 -4.392 1.00 0.00 N ATOM 301 NH2 ARG A 24 12.749 -5.527 -5.219 1.00 0.00 N ATOM 0 H ARG A 24 11.816 -12.214 -1.895 1.00 0.00 H new ATOM 0 HA ARG A 24 9.887 -10.566 -0.802 1.00 0.00 H new ATOM 0 HB2 ARG A 24 11.986 -9.639 -1.381 1.00 0.00 H new ATOM 0 HB3 ARG A 24 11.919 -10.260 -3.018 1.00 0.00 H new ATOM 0 HG2 ARG A 24 10.693 -8.496 -3.791 1.00 0.00 H new ATOM 0 HG3 ARG A 24 9.732 -8.378 -2.330 1.00 0.00 H new ATOM 0 HD2 ARG A 24 11.130 -6.856 -1.373 1.00 0.00 H new ATOM 0 HD3 ARG A 24 12.574 -7.692 -1.910 1.00 0.00 H new ATOM 0 HE ARG A 24 11.233 -5.473 -3.247 1.00 0.00 H new ATOM 0 HH11 ARG A 24 13.294 -8.306 -3.686 1.00 0.00 H new ATOM 0 HH12 ARG A 24 14.028 -7.686 -5.169 1.00 0.00 H new ATOM 0 HH21 ARG A 24 12.183 -4.681 -5.150 1.00 0.00 H new ATOM 0 HH22 ARG A 24 13.402 -5.642 -5.994 1.00 0.00 H new ATOM 315 N ALA A 25 9.322 -11.138 -4.019 1.00 0.00 N ATOM 316 CA ALA A 25 8.283 -11.132 -5.041 1.00 0.00 C ATOM 317 C ALA A 25 6.978 -11.708 -4.500 1.00 0.00 C ATOM 318 O ALA A 25 5.944 -11.039 -4.502 1.00 0.00 O ATOM 319 CB ALA A 25 8.741 -11.914 -6.262 1.00 0.00 C ATOM 0 H ALA A 25 10.238 -11.441 -4.350 1.00 0.00 H new ATOM 0 HA ALA A 25 8.100 -10.098 -5.333 1.00 0.00 H new ATOM 0 HB1 ALA A 25 7.956 -11.902 -7.018 1.00 0.00 H new ATOM 0 HB2 ALA A 25 9.643 -11.458 -6.669 1.00 0.00 H new ATOM 0 HB3 ALA A 25 8.953 -12.944 -5.976 1.00 0.00 H new ATOM 325 N LYS A 26 7.032 -12.953 -4.041 1.00 0.00 N ATOM 326 CA LYS A 26 5.855 -13.619 -3.496 1.00 0.00 C ATOM 327 C LYS A 26 4.960 -12.628 -2.759 1.00 0.00 C ATOM 328 O LYS A 26 3.735 -12.681 -2.871 1.00 0.00 O ATOM 329 CB LYS A 26 6.274 -14.746 -2.550 1.00 0.00 C ATOM 330 CG LYS A 26 7.003 -15.885 -3.244 1.00 0.00 C ATOM 331 CD LYS A 26 7.870 -16.666 -2.272 1.00 0.00 C ATOM 332 CE LYS A 26 9.130 -17.188 -2.946 1.00 0.00 C ATOM 333 NZ LYS A 26 8.875 -18.448 -3.698 1.00 0.00 N ATOM 0 H LYS A 26 7.879 -13.522 -4.035 1.00 0.00 H new ATOM 0 HA LYS A 26 5.290 -14.041 -4.327 1.00 0.00 H new ATOM 0 HB2 LYS A 26 6.917 -14.335 -1.772 1.00 0.00 H new ATOM 0 HB3 LYS A 26 5.387 -15.142 -2.055 1.00 0.00 H new ATOM 0 HG2 LYS A 26 6.277 -16.555 -3.705 1.00 0.00 H new ATOM 0 HG3 LYS A 26 7.623 -15.486 -4.046 1.00 0.00 H new ATOM 0 HD2 LYS A 26 8.143 -16.027 -1.432 1.00 0.00 H new ATOM 0 HD3 LYS A 26 7.301 -17.502 -1.865 1.00 0.00 H new ATOM 0 HE2 LYS A 26 9.518 -16.431 -3.627 1.00 0.00 H new ATOM 0 HE3 LYS A 26 9.899 -17.363 -2.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 9.758 -18.772 -4.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 8.529 -19.179 -3.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 8.160 -18.275 -4.433 1.00 0.00 H new ATOM 347 N PHE A 27 5.580 -11.725 -2.007 1.00 0.00 N ATOM 348 CA PHE A 27 4.839 -10.721 -1.253 1.00 0.00 C ATOM 349 C PHE A 27 4.247 -9.667 -2.184 1.00 0.00 C ATOM 350 O PHE A 27 3.051 -9.383 -2.135 1.00 0.00 O ATOM 351 CB PHE A 27 5.750 -10.052 -0.222 1.00 0.00 C ATOM 352 CG PHE A 27 5.182 -8.784 0.349 1.00 0.00 C ATOM 353 CD1 PHE A 27 5.401 -7.568 -0.276 1.00 0.00 C ATOM 354 CD2 PHE A 27 4.428 -8.810 1.511 1.00 0.00 C ATOM 355 CE1 PHE A 27 4.878 -6.401 0.247 1.00 0.00 C ATOM 356 CE2 PHE A 27 3.902 -7.645 2.040 1.00 0.00 C ATOM 357 CZ PHE A 27 4.128 -6.439 1.405 1.00 0.00 C ATOM 0 H PHE A 27 6.593 -11.668 -1.904 1.00 0.00 H new ATOM 0 HA PHE A 27 4.022 -11.223 -0.735 1.00 0.00 H new ATOM 0 HB2 PHE A 27 5.941 -10.753 0.591 1.00 0.00 H new ATOM 0 HB3 PHE A 27 6.711 -9.833 -0.687 1.00 0.00 H new ATOM 0 HD1 PHE A 27 5.987 -7.531 -1.182 1.00 0.00 H new ATOM 0 HD2 PHE A 27 4.249 -9.751 2.010 1.00 0.00 H new ATOM 0 HE1 PHE A 27 5.056 -5.459 -0.250 1.00 0.00 H new ATOM 0 HE2 PHE A 27 3.316 -7.678 2.947 1.00 0.00 H new ATOM 0 HZ PHE A 27 3.718 -5.527 1.814 1.00 0.00 H new ATOM 367 N GLU A 28 5.094 -9.091 -3.031 1.00 0.00 N ATOM 368 CA GLU A 28 4.656 -8.067 -3.972 1.00 0.00 C ATOM 369 C GLU A 28 3.509 -8.581 -4.838 1.00 0.00 C ATOM 370 O GLU A 28 2.475 -7.925 -4.968 1.00 0.00 O ATOM 371 CB GLU A 28 5.821 -7.627 -4.860 1.00 0.00 C ATOM 372 CG GLU A 28 6.316 -6.221 -4.562 1.00 0.00 C ATOM 373 CD GLU A 28 7.569 -5.866 -5.338 1.00 0.00 C ATOM 374 OE1 GLU A 28 7.563 -6.021 -6.578 1.00 0.00 O ATOM 375 OE2 GLU A 28 8.556 -5.433 -4.706 1.00 0.00 O ATOM 0 H GLU A 28 6.087 -9.316 -3.085 1.00 0.00 H new ATOM 0 HA GLU A 28 4.302 -7.210 -3.399 1.00 0.00 H new ATOM 0 HB2 GLU A 28 6.647 -8.328 -4.736 1.00 0.00 H new ATOM 0 HB3 GLU A 28 5.512 -7.681 -5.904 1.00 0.00 H new ATOM 0 HG2 GLU A 28 5.530 -5.505 -4.802 1.00 0.00 H new ATOM 0 HG3 GLU A 28 6.516 -6.129 -3.494 1.00 0.00 H new ATOM 382 N SER A 29 3.700 -9.757 -5.426 1.00 0.00 N ATOM 383 CA SER A 29 2.683 -10.357 -6.283 1.00 0.00 C ATOM 384 C SER A 29 1.316 -10.325 -5.607 1.00 0.00 C ATOM 385 O SER A 29 0.311 -9.977 -6.229 1.00 0.00 O ATOM 386 CB SER A 29 3.062 -11.798 -6.627 1.00 0.00 C ATOM 387 OG SER A 29 2.032 -12.434 -7.363 1.00 0.00 O ATOM 0 H SER A 29 4.549 -10.314 -5.325 1.00 0.00 H new ATOM 0 HA SER A 29 2.627 -9.775 -7.203 1.00 0.00 H new ATOM 0 HB2 SER A 29 3.985 -11.806 -7.206 1.00 0.00 H new ATOM 0 HB3 SER A 29 3.256 -12.355 -5.710 1.00 0.00 H new ATOM 0 HG SER A 29 2.299 -13.353 -7.572 1.00 0.00 H new ATOM 393 N LEU A 30 1.285 -10.691 -4.331 1.00 0.00 N ATOM 394 CA LEU A 30 0.041 -10.707 -3.569 1.00 0.00 C ATOM 395 C LEU A 30 -0.698 -9.380 -3.708 1.00 0.00 C ATOM 396 O LEU A 30 -1.924 -9.326 -3.601 1.00 0.00 O ATOM 397 CB LEU A 30 0.328 -10.990 -2.093 1.00 0.00 C ATOM 398 CG LEU A 30 0.800 -12.406 -1.761 1.00 0.00 C ATOM 399 CD1 LEU A 30 1.403 -12.455 -0.366 1.00 0.00 C ATOM 400 CD2 LEU A 30 -0.352 -13.394 -1.881 1.00 0.00 C ATOM 0 H LEU A 30 2.107 -10.981 -3.802 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.592 -11.499 -3.969 1.00 0.00 H new ATOM 0 HB2 LEU A 30 1.086 -10.286 -1.749 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.578 -10.787 -1.522 1.00 0.00 H new ATOM 0 HG LEU A 30 1.571 -12.688 -2.478 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.733 -13.471 -0.148 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.255 -11.777 -0.314 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.654 -12.152 0.365 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.002 -14.397 -1.641 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.145 -13.114 -1.188 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.739 -13.380 -2.900 1.00 0.00 H new ATOM 412 N PHE A 31 0.053 -8.312 -3.951 1.00 0.00 N ATOM 413 CA PHE A 31 -0.530 -6.984 -4.107 1.00 0.00 C ATOM 414 C PHE A 31 -0.708 -6.638 -5.582 1.00 0.00 C ATOM 415 O PHE A 31 -1.803 -6.286 -6.021 1.00 0.00 O ATOM 416 CB PHE A 31 0.349 -5.933 -3.426 1.00 0.00 C ATOM 417 CG PHE A 31 0.681 -6.262 -2.000 1.00 0.00 C ATOM 418 CD1 PHE A 31 -0.158 -5.865 -0.970 1.00 0.00 C ATOM 419 CD2 PHE A 31 1.830 -6.969 -1.686 1.00 0.00 C ATOM 420 CE1 PHE A 31 0.146 -6.165 0.345 1.00 0.00 C ATOM 421 CE2 PHE A 31 2.139 -7.273 -0.374 1.00 0.00 C ATOM 422 CZ PHE A 31 1.295 -6.872 0.642 1.00 0.00 C ATOM 0 H PHE A 31 1.068 -8.340 -4.044 1.00 0.00 H new ATOM 0 HA PHE A 31 -1.511 -6.988 -3.632 1.00 0.00 H new ATOM 0 HB2 PHE A 31 1.275 -5.825 -3.990 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -0.159 -4.969 -3.459 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -1.059 -5.315 -1.197 1.00 0.00 H new ATOM 0 HD2 PHE A 31 2.493 -7.287 -2.477 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -0.514 -5.847 1.139 1.00 0.00 H new ATOM 0 HE2 PHE A 31 3.039 -7.823 -0.144 1.00 0.00 H new ATOM 0 HZ PHE A 31 1.533 -7.111 1.668 1.00 0.00 H new ATOM 432 N ARG A 32 0.378 -6.741 -6.342 1.00 0.00 N ATOM 433 CA ARG A 32 0.344 -6.437 -7.768 1.00 0.00 C ATOM 434 C ARG A 32 -0.797 -7.181 -8.455 1.00 0.00 C ATOM 435 O ARG A 32 -1.425 -6.662 -9.379 1.00 0.00 O ATOM 436 CB ARG A 32 1.676 -6.808 -8.422 1.00 0.00 C ATOM 437 CG ARG A 32 2.117 -5.833 -9.502 1.00 0.00 C ATOM 438 CD ARG A 32 1.461 -6.146 -10.836 1.00 0.00 C ATOM 439 NE ARG A 32 2.192 -5.561 -11.957 1.00 0.00 N ATOM 440 CZ ARG A 32 3.392 -5.977 -12.349 1.00 0.00 C ATOM 441 NH1 ARG A 32 3.991 -6.976 -11.715 1.00 0.00 N ATOM 442 NH2 ARG A 32 3.995 -5.394 -13.378 1.00 0.00 N ATOM 0 H ARG A 32 1.292 -7.032 -5.994 1.00 0.00 H new ATOM 0 HA ARG A 32 0.177 -5.366 -7.882 1.00 0.00 H new ATOM 0 HB2 ARG A 32 2.447 -6.858 -7.653 1.00 0.00 H new ATOM 0 HB3 ARG A 32 1.593 -7.804 -8.856 1.00 0.00 H new ATOM 0 HG2 ARG A 32 1.865 -4.816 -9.201 1.00 0.00 H new ATOM 0 HG3 ARG A 32 3.201 -5.874 -9.610 1.00 0.00 H new ATOM 0 HD2 ARG A 32 1.402 -7.227 -10.966 1.00 0.00 H new ATOM 0 HD3 ARG A 32 0.438 -5.769 -10.834 1.00 0.00 H new ATOM 0 HE ARG A 32 1.758 -4.791 -12.467 1.00 0.00 H new ATOM 0 HH11 ARG A 32 3.531 -7.427 -10.924 1.00 0.00 H new ATOM 0 HH12 ARG A 32 4.912 -7.293 -12.018 1.00 0.00 H new ATOM 0 HH21 ARG A 32 3.537 -4.626 -13.869 1.00 0.00 H new ATOM 0 HH22 ARG A 32 4.916 -5.714 -13.678 1.00 0.00 H new ATOM 456 N THR A 33 -1.060 -8.402 -7.999 1.00 0.00 N ATOM 457 CA THR A 33 -2.124 -9.218 -8.570 1.00 0.00 C ATOM 458 C THR A 33 -3.369 -8.384 -8.847 1.00 0.00 C ATOM 459 O THR A 33 -4.133 -8.677 -9.767 1.00 0.00 O ATOM 460 CB THR A 33 -2.499 -10.385 -7.638 1.00 0.00 C ATOM 461 OG1 THR A 33 -3.267 -11.358 -8.354 1.00 0.00 O ATOM 462 CG2 THR A 33 -3.294 -9.887 -6.440 1.00 0.00 C ATOM 0 H THR A 33 -0.550 -8.847 -7.236 1.00 0.00 H new ATOM 0 HA THR A 33 -1.743 -9.620 -9.509 1.00 0.00 H new ATOM 0 HB THR A 33 -1.578 -10.843 -7.279 1.00 0.00 H new ATOM 0 HG1 THR A 33 -3.500 -12.097 -7.754 1.00 0.00 H new ATOM 0 HG21 THR A 33 -3.548 -10.729 -5.796 1.00 0.00 H new ATOM 0 HG22 THR A 33 -2.696 -9.169 -5.879 1.00 0.00 H new ATOM 0 HG23 THR A 33 -4.209 -9.406 -6.785 1.00 0.00 H new ATOM 470 N TYR A 34 -3.568 -7.343 -8.048 1.00 0.00 N ATOM 471 CA TYR A 34 -4.722 -6.467 -8.206 1.00 0.00 C ATOM 472 C TYR A 34 -4.382 -5.272 -9.091 1.00 0.00 C ATOM 473 O TYR A 34 -4.850 -5.171 -10.226 1.00 0.00 O ATOM 474 CB TYR A 34 -5.212 -5.981 -6.840 1.00 0.00 C ATOM 475 CG TYR A 34 -5.339 -7.085 -5.815 1.00 0.00 C ATOM 476 CD1 TYR A 34 -6.384 -7.998 -5.874 1.00 0.00 C ATOM 477 CD2 TYR A 34 -4.414 -7.214 -4.786 1.00 0.00 C ATOM 478 CE1 TYR A 34 -6.504 -9.008 -4.939 1.00 0.00 C ATOM 479 CE2 TYR A 34 -4.525 -8.221 -3.848 1.00 0.00 C ATOM 480 CZ TYR A 34 -5.572 -9.115 -3.928 1.00 0.00 C ATOM 481 OH TYR A 34 -5.687 -10.119 -2.994 1.00 0.00 O ATOM 0 H TYR A 34 -2.944 -7.085 -7.283 1.00 0.00 H new ATOM 0 HA TYR A 34 -5.516 -7.038 -8.687 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -4.523 -5.225 -6.464 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -6.181 -5.497 -6.962 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -7.115 -7.917 -6.664 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -3.594 -6.514 -4.719 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -7.323 -9.710 -4.999 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -3.796 -8.308 -3.056 1.00 0.00 H new ATOM 0 HH TYR A 34 -4.843 -10.208 -2.504 1.00 0.00 H new ATOM 491 N ASP A 35 -3.563 -4.368 -8.564 1.00 0.00 N ATOM 492 CA ASP A 35 -3.157 -3.179 -9.306 1.00 0.00 C ATOM 493 C ASP A 35 -1.726 -3.321 -9.817 1.00 0.00 C ATOM 494 O ASP A 35 -0.892 -3.972 -9.188 1.00 0.00 O ATOM 495 CB ASP A 35 -3.276 -1.937 -8.423 1.00 0.00 C ATOM 496 CG ASP A 35 -3.458 -0.667 -9.232 1.00 0.00 C ATOM 497 OD1 ASP A 35 -2.439 -0.074 -9.641 1.00 0.00 O ATOM 498 OD2 ASP A 35 -4.620 -0.268 -9.454 1.00 0.00 O ATOM 0 H ASP A 35 -3.167 -4.436 -7.626 1.00 0.00 H new ATOM 0 HA ASP A 35 -3.821 -3.070 -10.164 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -4.121 -2.057 -7.745 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -2.382 -1.846 -7.806 1.00 0.00 H new ATOM 503 N LYS A 36 -1.450 -2.706 -10.962 1.00 0.00 N ATOM 504 CA LYS A 36 -0.120 -2.763 -11.560 1.00 0.00 C ATOM 505 C LYS A 36 0.696 -1.530 -11.187 1.00 0.00 C ATOM 506 O LYS A 36 1.921 -1.592 -11.084 1.00 0.00 O ATOM 507 CB LYS A 36 -0.227 -2.876 -13.082 1.00 0.00 C ATOM 508 CG LYS A 36 -0.930 -4.138 -13.551 1.00 0.00 C ATOM 509 CD LYS A 36 -0.008 -5.017 -14.377 1.00 0.00 C ATOM 510 CE LYS A 36 -0.788 -5.883 -15.353 1.00 0.00 C ATOM 511 NZ LYS A 36 -0.162 -5.899 -16.704 1.00 0.00 N ATOM 0 H LYS A 36 -2.129 -2.162 -11.495 1.00 0.00 H new ATOM 0 HA LYS A 36 0.389 -3.645 -11.172 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -0.763 -2.008 -13.465 1.00 0.00 H new ATOM 0 HB3 LYS A 36 0.775 -2.847 -13.511 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -1.290 -4.697 -12.687 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -1.805 -3.869 -14.143 1.00 0.00 H new ATOM 0 HD2 LYS A 36 0.696 -4.392 -14.926 1.00 0.00 H new ATOM 0 HD3 LYS A 36 0.580 -5.653 -13.715 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -0.847 -6.901 -14.968 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -1.810 -5.512 -15.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -0.724 -6.500 -17.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -0.129 -4.931 -17.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 0.804 -6.277 -16.634 1.00 0.00 H new ATOM 525 N ASP A 37 0.009 -0.411 -10.983 1.00 0.00 N ATOM 526 CA ASP A 37 0.671 0.837 -10.618 1.00 0.00 C ATOM 527 C ASP A 37 0.889 0.916 -9.111 1.00 0.00 C ATOM 528 O ASP A 37 0.917 2.003 -8.532 1.00 0.00 O ATOM 529 CB ASP A 37 -0.156 2.034 -11.091 1.00 0.00 C ATOM 530 CG ASP A 37 0.573 2.868 -12.126 1.00 0.00 C ATOM 531 OD1 ASP A 37 1.524 3.585 -11.747 1.00 0.00 O ATOM 532 OD2 ASP A 37 0.193 2.806 -13.314 1.00 0.00 O ATOM 0 H ASP A 37 -1.005 -0.342 -11.064 1.00 0.00 H new ATOM 0 HA ASP A 37 1.644 0.861 -11.108 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -1.097 1.679 -11.512 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -0.406 2.660 -10.235 1.00 0.00 H new ATOM 537 N THR A 38 1.043 -0.243 -8.478 1.00 0.00 N ATOM 538 CA THR A 38 1.255 -0.306 -7.038 1.00 0.00 C ATOM 539 C THR A 38 2.730 -0.137 -6.692 1.00 0.00 C ATOM 540 O THR A 38 3.581 -0.887 -7.172 1.00 0.00 O ATOM 541 CB THR A 38 0.751 -1.639 -6.453 1.00 0.00 C ATOM 542 OG1 THR A 38 0.744 -2.648 -7.468 1.00 0.00 O ATOM 543 CG2 THR A 38 -0.648 -1.481 -5.876 1.00 0.00 C ATOM 0 H THR A 38 1.025 -1.152 -8.941 1.00 0.00 H new ATOM 0 HA THR A 38 0.685 0.513 -6.599 1.00 0.00 H new ATOM 0 HB THR A 38 1.426 -1.938 -5.651 1.00 0.00 H new ATOM 0 HG1 THR A 38 -0.174 -2.790 -7.781 1.00 0.00 H new ATOM 0 HG21 THR A 38 -0.983 -2.435 -5.469 1.00 0.00 H new ATOM 0 HG22 THR A 38 -0.632 -0.733 -5.083 1.00 0.00 H new ATOM 0 HG23 THR A 38 -1.332 -1.162 -6.662 1.00 0.00 H new ATOM 551 N THR A 39 3.028 0.853 -5.856 1.00 0.00 N ATOM 552 CA THR A 39 4.401 1.119 -5.446 1.00 0.00 C ATOM 553 C THR A 39 4.730 0.415 -4.135 1.00 0.00 C ATOM 554 O THR A 39 3.960 0.472 -3.177 1.00 0.00 O ATOM 555 CB THR A 39 4.655 2.630 -5.282 1.00 0.00 C ATOM 556 OG1 THR A 39 4.061 3.096 -4.065 1.00 0.00 O ATOM 557 CG2 THR A 39 4.086 3.406 -6.460 1.00 0.00 C ATOM 0 H THR A 39 2.337 1.484 -5.450 1.00 0.00 H new ATOM 0 HA THR A 39 5.047 0.732 -6.234 1.00 0.00 H new ATOM 0 HB THR A 39 5.732 2.794 -5.247 1.00 0.00 H new ATOM 0 HG1 THR A 39 4.645 2.874 -3.310 1.00 0.00 H new ATOM 0 HG21 THR A 39 4.278 4.470 -6.321 1.00 0.00 H new ATOM 0 HG22 THR A 39 4.561 3.069 -7.381 1.00 0.00 H new ATOM 0 HG23 THR A 39 3.011 3.236 -6.523 1.00 0.00 H new ATOM 565 N PHE A 40 5.881 -0.249 -4.098 1.00 0.00 N ATOM 566 CA PHE A 40 6.313 -0.965 -2.903 1.00 0.00 C ATOM 567 C PHE A 40 7.565 -0.326 -2.308 1.00 0.00 C ATOM 568 O PHE A 40 8.578 -0.170 -2.990 1.00 0.00 O ATOM 569 CB PHE A 40 6.584 -2.434 -3.233 1.00 0.00 C ATOM 570 CG PHE A 40 5.407 -3.138 -3.846 1.00 0.00 C ATOM 571 CD1 PHE A 40 5.005 -2.847 -5.140 1.00 0.00 C ATOM 572 CD2 PHE A 40 4.702 -4.090 -3.128 1.00 0.00 C ATOM 573 CE1 PHE A 40 3.922 -3.493 -5.706 1.00 0.00 C ATOM 574 CE2 PHE A 40 3.619 -4.740 -3.689 1.00 0.00 C ATOM 575 CZ PHE A 40 3.228 -4.440 -4.980 1.00 0.00 C ATOM 0 H PHE A 40 6.531 -0.306 -4.882 1.00 0.00 H new ATOM 0 HA PHE A 40 5.512 -0.907 -2.166 1.00 0.00 H new ATOM 0 HB2 PHE A 40 7.430 -2.494 -3.918 1.00 0.00 H new ATOM 0 HB3 PHE A 40 6.874 -2.955 -2.321 1.00 0.00 H new ATOM 0 HD1 PHE A 40 5.544 -2.107 -5.713 1.00 0.00 H new ATOM 0 HD2 PHE A 40 5.002 -4.327 -2.118 1.00 0.00 H new ATOM 0 HE1 PHE A 40 3.619 -3.257 -6.715 1.00 0.00 H new ATOM 0 HE2 PHE A 40 3.079 -5.482 -3.119 1.00 0.00 H new ATOM 0 HZ PHE A 40 2.381 -4.945 -5.420 1.00 0.00 H new ATOM 585 N GLN A 41 7.486 0.042 -1.034 1.00 0.00 N ATOM 586 CA GLN A 41 8.612 0.664 -0.347 1.00 0.00 C ATOM 587 C GLN A 41 9.049 -0.171 0.851 1.00 0.00 C ATOM 588 O GLN A 41 8.371 -0.203 1.879 1.00 0.00 O ATOM 589 CB GLN A 41 8.241 2.076 0.108 1.00 0.00 C ATOM 590 CG GLN A 41 9.104 3.163 -0.513 1.00 0.00 C ATOM 591 CD GLN A 41 8.415 4.513 -0.538 1.00 0.00 C ATOM 592 OE1 GLN A 41 7.914 4.986 0.483 1.00 0.00 O ATOM 593 NE2 GLN A 41 8.386 5.141 -1.707 1.00 0.00 N ATOM 0 H GLN A 41 6.654 -0.080 -0.456 1.00 0.00 H new ATOM 0 HA GLN A 41 9.445 0.722 -1.048 1.00 0.00 H new ATOM 0 HB2 GLN A 41 7.197 2.266 -0.141 1.00 0.00 H new ATOM 0 HB3 GLN A 41 8.325 2.133 1.193 1.00 0.00 H new ATOM 0 HG2 GLN A 41 10.036 3.245 0.046 1.00 0.00 H new ATOM 0 HG3 GLN A 41 9.368 2.875 -1.531 1.00 0.00 H new ATOM 0 HE21 GLN A 41 8.814 4.712 -2.527 1.00 0.00 H new ATOM 0 HE22 GLN A 41 7.936 6.053 -1.785 1.00 0.00 H new ATOM 602 N TYR A 42 10.184 -0.847 0.712 1.00 0.00 N ATOM 603 CA TYR A 42 10.710 -1.686 1.783 1.00 0.00 C ATOM 604 C TYR A 42 11.602 -0.877 2.720 1.00 0.00 C ATOM 605 O TYR A 42 12.522 -0.188 2.279 1.00 0.00 O ATOM 606 CB TYR A 42 11.496 -2.861 1.199 1.00 0.00 C ATOM 607 CG TYR A 42 10.632 -3.863 0.467 1.00 0.00 C ATOM 608 CD1 TYR A 42 10.236 -3.640 -0.846 1.00 0.00 C ATOM 609 CD2 TYR A 42 10.211 -5.033 1.089 1.00 0.00 C ATOM 610 CE1 TYR A 42 9.447 -4.553 -1.519 1.00 0.00 C ATOM 611 CE2 TYR A 42 9.423 -5.951 0.423 1.00 0.00 C ATOM 612 CZ TYR A 42 9.042 -5.706 -0.881 1.00 0.00 C ATOM 613 OH TYR A 42 8.257 -6.618 -1.547 1.00 0.00 O ATOM 0 H TYR A 42 10.757 -0.831 -0.131 1.00 0.00 H new ATOM 0 HA TYR A 42 9.867 -2.071 2.357 1.00 0.00 H new ATOM 0 HB2 TYR A 42 12.252 -2.477 0.514 1.00 0.00 H new ATOM 0 HB3 TYR A 42 12.025 -3.370 2.005 1.00 0.00 H new ATOM 0 HD1 TYR A 42 10.550 -2.738 -1.349 1.00 0.00 H new ATOM 0 HD2 TYR A 42 10.505 -5.227 2.110 1.00 0.00 H new ATOM 0 HE1 TYR A 42 9.149 -4.364 -2.540 1.00 0.00 H new ATOM 0 HE2 TYR A 42 9.106 -6.856 0.920 1.00 0.00 H new ATOM 0 HH TYR A 42 7.576 -6.970 -0.937 1.00 0.00 H new ATOM 623 N PHE A 43 11.324 -0.968 4.015 1.00 0.00 N ATOM 624 CA PHE A 43 12.100 -0.246 5.016 1.00 0.00 C ATOM 625 C PHE A 43 12.824 -1.215 5.947 1.00 0.00 C ATOM 626 O PHE A 43 12.252 -1.699 6.924 1.00 0.00 O ATOM 627 CB PHE A 43 11.191 0.677 5.830 1.00 0.00 C ATOM 628 CG PHE A 43 10.401 1.636 4.986 1.00 0.00 C ATOM 629 CD1 PHE A 43 11.021 2.386 4.000 1.00 0.00 C ATOM 630 CD2 PHE A 43 9.037 1.788 5.179 1.00 0.00 C ATOM 631 CE1 PHE A 43 10.296 3.268 3.221 1.00 0.00 C ATOM 632 CE2 PHE A 43 8.307 2.669 4.403 1.00 0.00 C ATOM 633 CZ PHE A 43 8.937 3.411 3.424 1.00 0.00 C ATOM 0 H PHE A 43 10.567 -1.535 4.397 1.00 0.00 H new ATOM 0 HA PHE A 43 12.845 0.356 4.496 1.00 0.00 H new ATOM 0 HB2 PHE A 43 10.502 0.070 6.417 1.00 0.00 H new ATOM 0 HB3 PHE A 43 11.799 1.243 6.536 1.00 0.00 H new ATOM 0 HD1 PHE A 43 12.084 2.280 3.838 1.00 0.00 H new ATOM 0 HD2 PHE A 43 8.539 1.212 5.944 1.00 0.00 H new ATOM 0 HE1 PHE A 43 10.792 3.845 2.454 1.00 0.00 H new ATOM 0 HE2 PHE A 43 7.244 2.777 4.563 1.00 0.00 H new ATOM 0 HZ PHE A 43 8.369 4.102 2.818 1.00 0.00 H new ATOM 643 N LYS A 44 14.086 -1.493 5.637 1.00 0.00 N ATOM 644 CA LYS A 44 14.889 -2.403 6.444 1.00 0.00 C ATOM 645 C LYS A 44 15.084 -1.853 7.853 1.00 0.00 C ATOM 646 O LYS A 44 15.351 -2.604 8.792 1.00 0.00 O ATOM 647 CB LYS A 44 16.250 -2.636 5.784 1.00 0.00 C ATOM 648 CG LYS A 44 16.930 -3.920 6.227 1.00 0.00 C ATOM 649 CD LYS A 44 17.634 -4.607 5.070 1.00 0.00 C ATOM 650 CE LYS A 44 18.582 -5.692 5.558 1.00 0.00 C ATOM 651 NZ LYS A 44 18.124 -7.051 5.156 1.00 0.00 N ATOM 0 H LYS A 44 14.575 -1.101 4.832 1.00 0.00 H new ATOM 0 HA LYS A 44 14.358 -3.352 6.514 1.00 0.00 H new ATOM 0 HB2 LYS A 44 16.120 -2.658 4.702 1.00 0.00 H new ATOM 0 HB3 LYS A 44 16.903 -1.793 6.010 1.00 0.00 H new ATOM 0 HG2 LYS A 44 17.652 -3.698 7.013 1.00 0.00 H new ATOM 0 HG3 LYS A 44 16.190 -4.595 6.656 1.00 0.00 H new ATOM 0 HD2 LYS A 44 16.893 -5.044 4.400 1.00 0.00 H new ATOM 0 HD3 LYS A 44 18.191 -3.869 4.492 1.00 0.00 H new ATOM 0 HE2 LYS A 44 19.579 -5.511 5.156 1.00 0.00 H new ATOM 0 HE3 LYS A 44 18.663 -5.642 6.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 18.797 -7.762 5.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 17.184 -7.234 5.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 18.072 -7.107 4.119 1.00 0.00 H new ATOM 665 N SER A 45 14.946 -0.539 7.996 1.00 0.00 N ATOM 666 CA SER A 45 15.109 0.112 9.289 1.00 0.00 C ATOM 667 C SER A 45 13.942 -0.218 10.214 1.00 0.00 C ATOM 668 O SER A 45 14.121 -0.408 11.417 1.00 0.00 O ATOM 669 CB SER A 45 15.222 1.628 9.112 1.00 0.00 C ATOM 670 OG SER A 45 16.417 1.974 8.434 1.00 0.00 O ATOM 0 H SER A 45 14.721 0.096 7.230 1.00 0.00 H new ATOM 0 HA SER A 45 16.027 -0.262 9.742 1.00 0.00 H new ATOM 0 HB2 SER A 45 14.363 1.997 8.552 1.00 0.00 H new ATOM 0 HB3 SER A 45 15.200 2.114 10.087 1.00 0.00 H new ATOM 0 HG SER A 45 16.465 2.947 8.332 1.00 0.00 H new ATOM 676 N PHE A 46 12.744 -0.285 9.643 1.00 0.00 N ATOM 677 CA PHE A 46 11.544 -0.590 10.415 1.00 0.00 C ATOM 678 C PHE A 46 10.898 -1.883 9.926 1.00 0.00 C ATOM 679 O PHE A 46 9.721 -2.138 10.181 1.00 0.00 O ATOM 680 CB PHE A 46 10.543 0.562 10.319 1.00 0.00 C ATOM 681 CG PHE A 46 11.133 1.899 10.667 1.00 0.00 C ATOM 682 CD1 PHE A 46 11.625 2.144 11.939 1.00 0.00 C ATOM 683 CD2 PHE A 46 11.194 2.911 9.723 1.00 0.00 C ATOM 684 CE1 PHE A 46 12.168 3.373 12.263 1.00 0.00 C ATOM 685 CE2 PHE A 46 11.737 4.141 10.040 1.00 0.00 C ATOM 686 CZ PHE A 46 12.223 4.374 11.312 1.00 0.00 C ATOM 0 H PHE A 46 12.578 -0.132 8.648 1.00 0.00 H new ATOM 0 HA PHE A 46 11.836 -0.721 11.457 1.00 0.00 H new ATOM 0 HB2 PHE A 46 10.144 0.603 9.306 1.00 0.00 H new ATOM 0 HB3 PHE A 46 9.704 0.360 10.984 1.00 0.00 H new ATOM 0 HD1 PHE A 46 11.584 1.365 12.686 1.00 0.00 H new ATOM 0 HD2 PHE A 46 10.813 2.736 8.728 1.00 0.00 H new ATOM 0 HE1 PHE A 46 12.549 3.551 13.258 1.00 0.00 H new ATOM 0 HE2 PHE A 46 11.782 4.920 9.294 1.00 0.00 H new ATOM 0 HZ PHE A 46 12.645 5.336 11.563 1.00 0.00 H new ATOM 696 N LYS A 47 11.676 -2.696 9.219 1.00 0.00 N ATOM 697 CA LYS A 47 11.182 -3.964 8.693 1.00 0.00 C ATOM 698 C LYS A 47 9.725 -3.841 8.259 1.00 0.00 C ATOM 699 O LYS A 47 8.923 -4.749 8.481 1.00 0.00 O ATOM 700 CB LYS A 47 11.321 -5.065 9.747 1.00 0.00 C ATOM 701 CG LYS A 47 12.748 -5.549 9.936 1.00 0.00 C ATOM 702 CD LYS A 47 13.096 -6.655 8.954 1.00 0.00 C ATOM 703 CE LYS A 47 14.580 -6.987 8.991 1.00 0.00 C ATOM 704 NZ LYS A 47 14.916 -7.901 10.118 1.00 0.00 N ATOM 0 H LYS A 47 12.652 -2.499 8.997 1.00 0.00 H new ATOM 0 HA LYS A 47 11.781 -4.227 7.821 1.00 0.00 H new ATOM 0 HB2 LYS A 47 10.943 -4.694 10.700 1.00 0.00 H new ATOM 0 HB3 LYS A 47 10.694 -5.910 9.462 1.00 0.00 H new ATOM 0 HG2 LYS A 47 13.437 -4.714 9.805 1.00 0.00 H new ATOM 0 HG3 LYS A 47 12.878 -5.912 10.955 1.00 0.00 H new ATOM 0 HD2 LYS A 47 12.516 -7.548 9.189 1.00 0.00 H new ATOM 0 HD3 LYS A 47 12.815 -6.350 7.946 1.00 0.00 H new ATOM 0 HE2 LYS A 47 14.872 -7.450 8.048 1.00 0.00 H new ATOM 0 HE3 LYS A 47 15.156 -6.066 9.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 15.936 -8.103 10.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 14.661 -7.449 11.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 14.386 -8.790 10.014 1.00 0.00 H new ATOM 718 N ARG A 48 9.389 -2.714 7.639 1.00 0.00 N ATOM 719 CA ARG A 48 8.029 -2.475 7.173 1.00 0.00 C ATOM 720 C ARG A 48 7.973 -2.445 5.649 1.00 0.00 C ATOM 721 O ARG A 48 9.006 -2.415 4.980 1.00 0.00 O ATOM 722 CB ARG A 48 7.498 -1.156 7.740 1.00 0.00 C ATOM 723 CG ARG A 48 6.485 -1.338 8.859 1.00 0.00 C ATOM 724 CD ARG A 48 5.848 -0.015 9.253 1.00 0.00 C ATOM 725 NE ARG A 48 6.730 0.788 10.096 1.00 0.00 N ATOM 726 CZ ARG A 48 6.349 1.908 10.699 1.00 0.00 C ATOM 727 NH1 ARG A 48 5.110 2.357 10.551 1.00 0.00 N ATOM 728 NH2 ARG A 48 7.209 2.584 11.450 1.00 0.00 N ATOM 0 H ARG A 48 10.040 -1.953 7.448 1.00 0.00 H new ATOM 0 HA ARG A 48 7.402 -3.294 7.526 1.00 0.00 H new ATOM 0 HB2 ARG A 48 8.336 -0.567 8.112 1.00 0.00 H new ATOM 0 HB3 ARG A 48 7.038 -0.583 6.935 1.00 0.00 H new ATOM 0 HG2 ARG A 48 5.710 -2.036 8.540 1.00 0.00 H new ATOM 0 HG3 ARG A 48 6.975 -1.780 9.727 1.00 0.00 H new ATOM 0 HD2 ARG A 48 5.595 0.547 8.354 1.00 0.00 H new ATOM 0 HD3 ARG A 48 4.915 -0.206 9.783 1.00 0.00 H new ATOM 0 HE ARG A 48 7.690 0.471 10.229 1.00 0.00 H new ATOM 0 HH11 ARG A 48 4.446 1.842 9.973 1.00 0.00 H new ATOM 0 HH12 ARG A 48 4.821 3.218 11.016 1.00 0.00 H new ATOM 0 HH21 ARG A 48 8.164 2.243 11.564 1.00 0.00 H new ATOM 0 HH22 ARG A 48 6.915 3.444 11.913 1.00 0.00 H new ATOM 742 N VAL A 49 6.760 -2.453 5.106 1.00 0.00 N ATOM 743 CA VAL A 49 6.568 -2.426 3.661 1.00 0.00 C ATOM 744 C VAL A 49 5.388 -1.540 3.279 1.00 0.00 C ATOM 745 O VAL A 49 4.230 -1.931 3.433 1.00 0.00 O ATOM 746 CB VAL A 49 6.337 -3.841 3.098 1.00 0.00 C ATOM 747 CG1 VAL A 49 6.245 -3.804 1.581 1.00 0.00 C ATOM 748 CG2 VAL A 49 7.444 -4.781 3.550 1.00 0.00 C ATOM 0 H VAL A 49 5.895 -2.478 5.646 1.00 0.00 H new ATOM 0 HA VAL A 49 7.481 -2.016 3.229 1.00 0.00 H new ATOM 0 HB VAL A 49 5.391 -4.217 3.486 1.00 0.00 H new ATOM 0 HG11 VAL A 49 6.082 -4.813 1.202 1.00 0.00 H new ATOM 0 HG12 VAL A 49 5.414 -3.165 1.282 1.00 0.00 H new ATOM 0 HG13 VAL A 49 7.173 -3.408 1.170 1.00 0.00 H new ATOM 0 HG21 VAL A 49 7.265 -5.776 3.143 1.00 0.00 H new ATOM 0 HG22 VAL A 49 8.405 -4.410 3.193 1.00 0.00 H new ATOM 0 HG23 VAL A 49 7.457 -4.831 4.639 1.00 0.00 H new ATOM 758 N ARG A 50 5.688 -0.346 2.779 1.00 0.00 N ATOM 759 CA ARG A 50 4.651 0.596 2.375 1.00 0.00 C ATOM 760 C ARG A 50 4.206 0.333 0.940 1.00 0.00 C ATOM 761 O ARG A 50 4.984 0.500 -0.002 1.00 0.00 O ATOM 762 CB ARG A 50 5.158 2.033 2.508 1.00 0.00 C ATOM 763 CG ARG A 50 4.046 3.065 2.607 1.00 0.00 C ATOM 764 CD ARG A 50 4.512 4.433 2.134 1.00 0.00 C ATOM 765 NE ARG A 50 5.207 5.168 3.186 1.00 0.00 N ATOM 766 CZ ARG A 50 5.409 6.481 3.155 1.00 0.00 C ATOM 767 NH1 ARG A 50 4.969 7.199 2.131 1.00 0.00 N ATOM 768 NH2 ARG A 50 6.049 7.079 4.152 1.00 0.00 N ATOM 0 H ARG A 50 6.641 -0.008 2.644 1.00 0.00 H new ATOM 0 HA ARG A 50 3.794 0.458 3.034 1.00 0.00 H new ATOM 0 HB2 ARG A 50 5.790 2.106 3.393 1.00 0.00 H new ATOM 0 HB3 ARG A 50 5.786 2.269 1.649 1.00 0.00 H new ATOM 0 HG2 ARG A 50 3.194 2.742 2.008 1.00 0.00 H new ATOM 0 HG3 ARG A 50 3.702 3.133 3.639 1.00 0.00 H new ATOM 0 HD2 ARG A 50 5.175 4.314 1.277 1.00 0.00 H new ATOM 0 HD3 ARG A 50 3.653 5.011 1.795 1.00 0.00 H new ATOM 0 HE ARG A 50 5.557 4.645 3.989 1.00 0.00 H new ATOM 0 HH11 ARG A 50 4.474 6.744 1.364 1.00 0.00 H new ATOM 0 HH12 ARG A 50 5.126 8.207 2.110 1.00 0.00 H new ATOM 0 HH21 ARG A 50 6.386 6.531 4.943 1.00 0.00 H new ATOM 0 HH22 ARG A 50 6.204 8.087 4.127 1.00 0.00 H new ATOM 782 N ILE A 51 2.954 -0.079 0.779 1.00 0.00 N ATOM 783 CA ILE A 51 2.406 -0.364 -0.541 1.00 0.00 C ATOM 784 C ILE A 51 1.337 0.654 -0.925 1.00 0.00 C ATOM 785 O ILE A 51 0.279 0.723 -0.302 1.00 0.00 O ATOM 786 CB ILE A 51 1.800 -1.778 -0.606 1.00 0.00 C ATOM 787 CG1 ILE A 51 2.792 -2.807 -0.061 1.00 0.00 C ATOM 788 CG2 ILE A 51 1.404 -2.120 -2.035 1.00 0.00 C ATOM 789 CD1 ILE A 51 2.255 -3.604 1.107 1.00 0.00 C ATOM 0 H ILE A 51 2.299 -0.223 1.547 1.00 0.00 H new ATOM 0 HA ILE A 51 3.234 -0.300 -1.246 1.00 0.00 H new ATOM 0 HB ILE A 51 0.904 -1.802 0.014 1.00 0.00 H new ATOM 0 HG12 ILE A 51 3.069 -3.493 -0.862 1.00 0.00 H new ATOM 0 HG13 ILE A 51 3.703 -2.294 0.248 1.00 0.00 H new ATOM 0 HG21 ILE A 51 0.977 -3.123 -2.064 1.00 0.00 H new ATOM 0 HG22 ILE A 51 0.666 -1.401 -2.390 1.00 0.00 H new ATOM 0 HG23 ILE A 51 2.285 -2.082 -2.676 1.00 0.00 H new ATOM 0 HD11 ILE A 51 3.011 -4.314 1.442 1.00 0.00 H new ATOM 0 HD12 ILE A 51 2.005 -2.928 1.925 1.00 0.00 H new ATOM 0 HD13 ILE A 51 1.361 -4.146 0.798 1.00 0.00 H new ATOM 801 N ASN A 52 1.621 1.442 -1.957 1.00 0.00 N ATOM 802 CA ASN A 52 0.685 2.456 -2.425 1.00 0.00 C ATOM 803 C ASN A 52 -0.060 1.976 -3.668 1.00 0.00 C ATOM 804 O ASN A 52 0.536 1.399 -4.578 1.00 0.00 O ATOM 805 CB ASN A 52 1.423 3.761 -2.732 1.00 0.00 C ATOM 806 CG ASN A 52 2.463 4.097 -1.681 1.00 0.00 C ATOM 807 OD1 ASN A 52 2.266 3.841 -0.492 1.00 0.00 O ATOM 808 ND2 ASN A 52 3.577 4.673 -2.114 1.00 0.00 N ATOM 0 H ASN A 52 2.493 1.397 -2.485 1.00 0.00 H new ATOM 0 HA ASN A 52 -0.042 2.636 -1.633 1.00 0.00 H new ATOM 0 HB2 ASN A 52 1.907 3.682 -3.706 1.00 0.00 H new ATOM 0 HB3 ASN A 52 0.702 4.576 -2.800 1.00 0.00 H new ATOM 0 HD21 ASN A 52 4.313 4.922 -1.453 1.00 0.00 H new ATOM 0 HD22 ASN A 52 3.698 4.867 -3.108 1.00 0.00 H new ATOM 815 N PHE A 53 -1.366 2.219 -3.699 1.00 0.00 N ATOM 816 CA PHE A 53 -2.192 1.813 -4.830 1.00 0.00 C ATOM 817 C PHE A 53 -2.709 3.029 -5.591 1.00 0.00 C ATOM 818 O PHE A 53 -2.353 4.166 -5.283 1.00 0.00 O ATOM 819 CB PHE A 53 -3.368 0.961 -4.348 1.00 0.00 C ATOM 820 CG PHE A 53 -2.952 -0.229 -3.530 1.00 0.00 C ATOM 821 CD1 PHE A 53 -2.299 -0.060 -2.320 1.00 0.00 C ATOM 822 CD2 PHE A 53 -3.213 -1.515 -3.973 1.00 0.00 C ATOM 823 CE1 PHE A 53 -1.915 -1.152 -1.565 1.00 0.00 C ATOM 824 CE2 PHE A 53 -2.831 -2.612 -3.223 1.00 0.00 C ATOM 825 CZ PHE A 53 -2.181 -2.429 -2.017 1.00 0.00 C ATOM 0 H PHE A 53 -1.875 2.695 -2.954 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.574 1.221 -5.505 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -4.038 1.583 -3.755 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -3.935 0.617 -5.213 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -2.087 0.937 -1.962 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -3.721 -1.663 -4.915 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -1.408 -1.007 -0.623 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -3.040 -3.610 -3.579 1.00 0.00 H new ATOM 0 HZ PHE A 53 -1.882 -3.284 -1.429 1.00 0.00 H new ATOM 835 N SER A 54 -3.552 2.781 -6.589 1.00 0.00 N ATOM 836 CA SER A 54 -4.116 3.855 -7.398 1.00 0.00 C ATOM 837 C SER A 54 -5.547 4.165 -6.970 1.00 0.00 C ATOM 838 O SER A 54 -6.106 5.196 -7.338 1.00 0.00 O ATOM 839 CB SER A 54 -4.086 3.475 -8.880 1.00 0.00 C ATOM 840 OG SER A 54 -4.948 4.306 -9.637 1.00 0.00 O ATOM 0 H SER A 54 -3.859 1.846 -6.856 1.00 0.00 H new ATOM 0 HA SER A 54 -3.509 4.747 -7.246 1.00 0.00 H new ATOM 0 HB2 SER A 54 -3.068 3.560 -9.260 1.00 0.00 H new ATOM 0 HB3 SER A 54 -4.384 2.433 -8.998 1.00 0.00 H new ATOM 0 HG SER A 54 -4.910 4.044 -10.581 1.00 0.00 H new ATOM 846 N ASN A 55 -6.133 3.261 -6.190 1.00 0.00 N ATOM 847 CA ASN A 55 -7.499 3.437 -5.712 1.00 0.00 C ATOM 848 C ASN A 55 -7.686 2.783 -4.346 1.00 0.00 C ATOM 849 O ASN A 55 -7.027 1.799 -4.007 1.00 0.00 O ATOM 850 CB ASN A 55 -8.493 2.844 -6.713 1.00 0.00 C ATOM 851 CG ASN A 55 -8.205 1.387 -7.019 1.00 0.00 C ATOM 852 OD1 ASN A 55 -8.541 0.498 -6.237 1.00 0.00 O ATOM 853 ND2 ASN A 55 -7.578 1.135 -8.163 1.00 0.00 N ATOM 0 H ASN A 55 -5.683 2.401 -5.876 1.00 0.00 H new ATOM 0 HA ASN A 55 -7.687 4.506 -5.613 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -9.504 2.936 -6.315 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -8.461 3.420 -7.638 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -7.357 0.174 -8.422 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -7.318 1.903 -8.782 1.00 0.00 H new ATOM 860 N PRO A 56 -8.604 3.340 -3.544 1.00 0.00 N ATOM 861 CA PRO A 56 -8.900 2.827 -2.203 1.00 0.00 C ATOM 862 C PRO A 56 -9.609 1.478 -2.241 1.00 0.00 C ATOM 863 O PRO A 56 -9.458 0.659 -1.333 1.00 0.00 O ATOM 864 CB PRO A 56 -9.818 3.897 -1.608 1.00 0.00 C ATOM 865 CG PRO A 56 -10.454 4.549 -2.787 1.00 0.00 C ATOM 866 CD PRO A 56 -9.426 4.514 -3.884 1.00 0.00 C ATOM 0 HA PRO A 56 -7.993 2.654 -1.624 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -10.565 3.455 -0.949 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -9.254 4.616 -1.014 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -11.360 4.020 -3.084 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -10.744 5.574 -2.557 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -9.889 4.410 -4.865 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -8.832 5.428 -3.907 1.00 0.00 H new ATOM 874 N LEU A 57 -10.383 1.252 -3.298 1.00 0.00 N ATOM 875 CA LEU A 57 -11.116 0.001 -3.454 1.00 0.00 C ATOM 876 C LEU A 57 -10.193 -1.199 -3.262 1.00 0.00 C ATOM 877 O LEU A 57 -10.342 -1.963 -2.309 1.00 0.00 O ATOM 878 CB LEU A 57 -11.769 -0.061 -4.837 1.00 0.00 C ATOM 879 CG LEU A 57 -12.906 0.931 -5.086 1.00 0.00 C ATOM 880 CD1 LEU A 57 -13.121 1.131 -6.578 1.00 0.00 C ATOM 881 CD2 LEU A 57 -14.187 0.451 -4.420 1.00 0.00 C ATOM 0 H LEU A 57 -10.519 1.918 -4.058 1.00 0.00 H new ATOM 0 HA LEU A 57 -11.892 -0.034 -2.689 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -10.998 0.105 -5.589 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -12.153 -1.069 -4.991 1.00 0.00 H new ATOM 0 HG LEU A 57 -12.630 1.890 -4.648 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -13.934 1.840 -6.737 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -12.208 1.519 -7.028 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -13.376 0.177 -7.040 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -14.986 1.169 -4.607 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -14.468 -0.519 -4.829 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -14.026 0.359 -3.346 1.00 0.00 H new ATOM 893 N SER A 58 -9.239 -1.357 -4.174 1.00 0.00 N ATOM 894 CA SER A 58 -8.293 -2.465 -4.106 1.00 0.00 C ATOM 895 C SER A 58 -7.641 -2.538 -2.728 1.00 0.00 C ATOM 896 O SER A 58 -7.657 -3.583 -2.077 1.00 0.00 O ATOM 897 CB SER A 58 -7.218 -2.312 -5.183 1.00 0.00 C ATOM 898 OG SER A 58 -7.182 -3.446 -6.032 1.00 0.00 O ATOM 0 H SER A 58 -9.101 -0.732 -4.968 1.00 0.00 H new ATOM 0 HA SER A 58 -8.842 -3.391 -4.279 1.00 0.00 H new ATOM 0 HB2 SER A 58 -7.415 -1.418 -5.774 1.00 0.00 H new ATOM 0 HB3 SER A 58 -6.244 -2.175 -4.713 1.00 0.00 H new ATOM 0 HG SER A 58 -6.488 -3.323 -6.713 1.00 0.00 H new ATOM 904 N ALA A 59 -7.068 -1.422 -2.292 1.00 0.00 N ATOM 905 CA ALA A 59 -6.413 -1.358 -0.990 1.00 0.00 C ATOM 906 C ALA A 59 -7.158 -2.196 0.042 1.00 0.00 C ATOM 907 O ALA A 59 -6.551 -2.764 0.949 1.00 0.00 O ATOM 908 CB ALA A 59 -6.307 0.086 -0.523 1.00 0.00 C ATOM 0 H ALA A 59 -7.043 -0.550 -2.820 1.00 0.00 H new ATOM 0 HA ALA A 59 -5.409 -1.769 -1.096 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -5.816 0.119 0.450 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -5.723 0.659 -1.243 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -7.305 0.516 -0.440 1.00 0.00 H new ATOM 914 N ALA A 60 -8.478 -2.269 -0.103 1.00 0.00 N ATOM 915 CA ALA A 60 -9.305 -3.040 0.817 1.00 0.00 C ATOM 916 C ALA A 60 -9.203 -4.533 0.528 1.00 0.00 C ATOM 917 O ALA A 60 -8.752 -5.309 1.370 1.00 0.00 O ATOM 918 CB ALA A 60 -10.754 -2.582 0.733 1.00 0.00 C ATOM 0 H ALA A 60 -8.996 -1.804 -0.848 1.00 0.00 H new ATOM 0 HA ALA A 60 -8.938 -2.867 1.829 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -11.361 -3.166 1.425 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -10.818 -1.526 0.996 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -11.123 -2.725 -0.283 1.00 0.00 H new ATOM 924 N ASP A 61 -9.625 -4.930 -0.668 1.00 0.00 N ATOM 925 CA ASP A 61 -9.580 -6.331 -1.069 1.00 0.00 C ATOM 926 C ASP A 61 -8.216 -6.942 -0.761 1.00 0.00 C ATOM 927 O ASP A 61 -8.120 -8.104 -0.366 1.00 0.00 O ATOM 928 CB ASP A 61 -9.889 -6.467 -2.560 1.00 0.00 C ATOM 929 CG ASP A 61 -11.186 -7.208 -2.818 1.00 0.00 C ATOM 930 OD1 ASP A 61 -12.261 -6.596 -2.652 1.00 0.00 O ATOM 931 OD2 ASP A 61 -11.126 -8.399 -3.188 1.00 0.00 O ATOM 0 H ASP A 61 -10.002 -4.301 -1.377 1.00 0.00 H new ATOM 0 HA ASP A 61 -10.336 -6.871 -0.499 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -9.946 -5.475 -3.008 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -9.070 -6.992 -3.051 1.00 0.00 H new ATOM 936 N ALA A 62 -7.164 -6.150 -0.944 1.00 0.00 N ATOM 937 CA ALA A 62 -5.807 -6.612 -0.685 1.00 0.00 C ATOM 938 C ALA A 62 -5.632 -7.012 0.776 1.00 0.00 C ATOM 939 O ALA A 62 -4.924 -7.970 1.086 1.00 0.00 O ATOM 940 CB ALA A 62 -4.801 -5.534 -1.062 1.00 0.00 C ATOM 0 H ALA A 62 -7.226 -5.186 -1.271 1.00 0.00 H new ATOM 0 HA ALA A 62 -5.627 -7.494 -1.300 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -3.791 -5.893 -0.863 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -4.900 -5.298 -2.122 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -4.990 -4.637 -0.472 1.00 0.00 H new ATOM 946 N ARG A 63 -6.282 -6.273 1.669 1.00 0.00 N ATOM 947 CA ARG A 63 -6.196 -6.550 3.098 1.00 0.00 C ATOM 948 C ARG A 63 -6.860 -7.882 3.434 1.00 0.00 C ATOM 949 O ARG A 63 -6.251 -8.752 4.058 1.00 0.00 O ATOM 950 CB ARG A 63 -6.855 -5.425 3.898 1.00 0.00 C ATOM 951 CG ARG A 63 -6.630 -5.530 5.397 1.00 0.00 C ATOM 952 CD ARG A 63 -7.430 -4.483 6.156 1.00 0.00 C ATOM 953 NE ARG A 63 -8.858 -4.789 6.170 1.00 0.00 N ATOM 954 CZ ARG A 63 -9.763 -4.045 6.795 1.00 0.00 C ATOM 955 NH1 ARG A 63 -9.390 -2.956 7.453 1.00 0.00 N ATOM 956 NH2 ARG A 63 -11.044 -4.388 6.761 1.00 0.00 N ATOM 0 H ARG A 63 -6.874 -5.478 1.428 1.00 0.00 H new ATOM 0 HA ARG A 63 -5.142 -6.610 3.368 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -6.469 -4.468 3.548 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -7.927 -5.429 3.699 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -6.914 -6.525 5.740 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -5.569 -5.408 5.616 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -7.063 -4.419 7.180 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -7.273 -3.506 5.699 1.00 0.00 H new ATOM 0 HE ARG A 63 -9.178 -5.620 5.672 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -8.406 -2.688 7.480 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -10.087 -2.386 7.932 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -11.335 -5.224 6.254 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -11.738 -3.816 7.242 1.00 0.00 H new ATOM 970 N LEU A 64 -8.112 -8.036 3.015 1.00 0.00 N ATOM 971 CA LEU A 64 -8.860 -9.262 3.272 1.00 0.00 C ATOM 972 C LEU A 64 -8.119 -10.476 2.721 1.00 0.00 C ATOM 973 O LEU A 64 -8.060 -11.524 3.364 1.00 0.00 O ATOM 974 CB LEU A 64 -10.253 -9.173 2.648 1.00 0.00 C ATOM 975 CG LEU A 64 -10.416 -9.825 1.274 1.00 0.00 C ATOM 976 CD1 LEU A 64 -10.579 -11.331 1.415 1.00 0.00 C ATOM 977 CD2 LEU A 64 -11.603 -9.225 0.536 1.00 0.00 C ATOM 0 H LEU A 64 -8.630 -7.327 2.496 1.00 0.00 H new ATOM 0 HA LEU A 64 -8.960 -9.379 4.351 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -10.966 -9.632 3.333 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -10.525 -8.121 2.563 1.00 0.00 H new ATOM 0 HG LEU A 64 -9.516 -9.630 0.691 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -10.694 -11.779 0.428 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -9.698 -11.748 1.902 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -11.462 -11.547 2.016 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -11.703 -9.701 -0.439 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -12.512 -9.389 1.115 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -11.445 -8.155 0.403 1.00 0.00 H new ATOM 989 N ARG A 65 -7.555 -10.327 1.527 1.00 0.00 N ATOM 990 CA ARG A 65 -6.817 -11.411 0.889 1.00 0.00 C ATOM 991 C ARG A 65 -5.478 -11.640 1.585 1.00 0.00 C ATOM 992 O ARG A 65 -4.808 -12.646 1.349 1.00 0.00 O ATOM 993 CB ARG A 65 -6.589 -11.100 -0.591 1.00 0.00 C ATOM 994 CG ARG A 65 -7.675 -11.645 -1.502 1.00 0.00 C ATOM 995 CD ARG A 65 -7.097 -12.555 -2.576 1.00 0.00 C ATOM 996 NE ARG A 65 -8.002 -13.651 -2.910 1.00 0.00 N ATOM 997 CZ ARG A 65 -7.804 -14.482 -3.927 1.00 0.00 C ATOM 998 NH1 ARG A 65 -6.741 -14.342 -4.706 1.00 0.00 N ATOM 999 NH2 ARG A 65 -8.674 -15.457 -4.168 1.00 0.00 N ATOM 0 H ARG A 65 -7.595 -9.466 0.982 1.00 0.00 H new ATOM 0 HA ARG A 65 -7.411 -12.321 0.974 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -6.526 -10.020 -0.721 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -5.628 -11.514 -0.897 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -8.405 -12.197 -0.910 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -8.206 -10.817 -1.972 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -6.889 -11.971 -3.472 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -6.146 -12.962 -2.233 1.00 0.00 H new ATOM 0 HE ARG A 65 -8.831 -13.786 -2.331 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -6.071 -13.594 -4.525 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -6.592 -14.982 -5.486 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -9.494 -15.567 -3.572 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -8.522 -16.095 -4.949 1.00 0.00 H new ATOM 1013 N LEU A 66 -5.094 -10.701 2.442 1.00 0.00 N ATOM 1014 CA LEU A 66 -3.835 -10.799 3.171 1.00 0.00 C ATOM 1015 C LEU A 66 -4.043 -10.518 4.657 1.00 0.00 C ATOM 1016 O LEU A 66 -5.097 -10.823 5.216 1.00 0.00 O ATOM 1017 CB LEU A 66 -2.810 -9.821 2.594 1.00 0.00 C ATOM 1018 CG LEU A 66 -2.720 -9.766 1.069 1.00 0.00 C ATOM 1019 CD1 LEU A 66 -2.009 -8.498 0.622 1.00 0.00 C ATOM 1020 CD2 LEU A 66 -2.006 -10.998 0.532 1.00 0.00 C ATOM 0 H LEU A 66 -5.637 -9.863 2.649 1.00 0.00 H new ATOM 0 HA LEU A 66 -3.459 -11.816 3.061 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -3.045 -8.822 2.960 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -1.827 -10.082 2.987 1.00 0.00 H new ATOM 0 HG LEU A 66 -3.732 -9.752 0.664 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -1.954 -8.476 -0.466 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -2.561 -7.627 0.975 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -1.001 -8.481 1.036 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -1.951 -10.942 -0.555 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.998 -11.043 0.944 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.557 -11.893 0.822 1.00 0.00 H new ATOM 1032 N HIS A 67 -3.031 -9.933 5.290 1.00 0.00 N ATOM 1033 CA HIS A 67 -3.104 -9.608 6.710 1.00 0.00 C ATOM 1034 C HIS A 67 -2.721 -10.813 7.564 1.00 0.00 C ATOM 1035 O HIS A 67 -1.839 -11.591 7.199 1.00 0.00 O ATOM 1036 CB HIS A 67 -4.511 -9.136 7.076 1.00 0.00 C ATOM 1037 CG HIS A 67 -4.543 -8.179 8.227 1.00 0.00 C ATOM 1038 ND1 HIS A 67 -3.403 -7.685 8.825 1.00 0.00 N ATOM 1039 CD2 HIS A 67 -5.585 -7.624 8.889 1.00 0.00 C ATOM 1040 CE1 HIS A 67 -3.743 -6.869 9.807 1.00 0.00 C ATOM 1041 NE2 HIS A 67 -5.061 -6.813 9.866 1.00 0.00 N ATOM 0 H HIS A 67 -2.152 -9.675 4.843 1.00 0.00 H new ATOM 0 HA HIS A 67 -2.396 -8.804 6.909 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -4.963 -8.660 6.206 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -5.124 -10.004 7.319 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -6.633 -7.788 8.687 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -3.059 -6.338 10.452 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -5.602 -6.258 10.529 1.00 0.00 H new ATOM 1049 N LYS A 68 -3.389 -10.962 8.702 1.00 0.00 N ATOM 1050 CA LYS A 68 -3.120 -12.072 9.608 1.00 0.00 C ATOM 1051 C LYS A 68 -2.733 -13.327 8.832 1.00 0.00 C ATOM 1052 O LYS A 68 -1.929 -14.135 9.297 1.00 0.00 O ATOM 1053 CB LYS A 68 -4.348 -12.356 10.478 1.00 0.00 C ATOM 1054 CG LYS A 68 -4.617 -11.283 11.519 1.00 0.00 C ATOM 1055 CD LYS A 68 -5.971 -10.628 11.308 1.00 0.00 C ATOM 1056 CE LYS A 68 -7.109 -11.575 11.658 1.00 0.00 C ATOM 1057 NZ LYS A 68 -7.437 -12.488 10.528 1.00 0.00 N ATOM 0 H LYS A 68 -4.122 -10.327 9.019 1.00 0.00 H new ATOM 0 HA LYS A 68 -2.285 -11.791 10.249 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -5.223 -12.455 9.836 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -4.213 -13.313 10.982 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -4.576 -11.723 12.515 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -3.834 -10.526 11.473 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -6.042 -9.730 11.922 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -6.066 -10.312 10.269 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -6.835 -12.164 12.533 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -7.993 -10.997 11.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -8.434 -12.776 10.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -7.276 -11.996 9.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -6.830 -13.331 10.575 1.00 0.00 H new ATOM 1071 N THR A 69 -3.310 -13.484 7.645 1.00 0.00 N ATOM 1072 CA THR A 69 -3.025 -14.640 6.803 1.00 0.00 C ATOM 1073 C THR A 69 -1.583 -15.100 6.973 1.00 0.00 C ATOM 1074 O THR A 69 -0.647 -14.320 6.797 1.00 0.00 O ATOM 1075 CB THR A 69 -3.282 -14.329 5.316 1.00 0.00 C ATOM 1076 OG1 THR A 69 -2.378 -13.314 4.865 1.00 0.00 O ATOM 1077 CG2 THR A 69 -4.717 -13.873 5.099 1.00 0.00 C ATOM 0 H THR A 69 -3.978 -12.825 7.245 1.00 0.00 H new ATOM 0 HA THR A 69 -3.698 -15.437 7.121 1.00 0.00 H new ATOM 0 HB THR A 69 -3.118 -15.241 4.742 1.00 0.00 H new ATOM 0 HG1 THR A 69 -2.117 -12.749 5.622 1.00 0.00 H new ATOM 0 HG21 THR A 69 -4.875 -13.659 4.042 1.00 0.00 H new ATOM 0 HG22 THR A 69 -5.401 -14.660 5.416 1.00 0.00 H new ATOM 0 HG23 THR A 69 -4.905 -12.972 5.683 1.00 0.00 H new ATOM 1085 N GLU A 70 -1.409 -16.373 7.314 1.00 0.00 N ATOM 1086 CA GLU A 70 -0.078 -16.937 7.507 1.00 0.00 C ATOM 1087 C GLU A 70 0.709 -16.937 6.200 1.00 0.00 C ATOM 1088 O GLU A 70 0.660 -17.900 5.433 1.00 0.00 O ATOM 1089 CB GLU A 70 -0.178 -18.363 8.054 1.00 0.00 C ATOM 1090 CG GLU A 70 0.392 -18.518 9.454 1.00 0.00 C ATOM 1091 CD GLU A 70 0.209 -19.920 10.006 1.00 0.00 C ATOM 1092 OE1 GLU A 70 0.607 -20.884 9.320 1.00 0.00 O ATOM 1093 OE2 GLU A 70 -0.331 -20.050 11.124 1.00 0.00 O ATOM 0 H GLU A 70 -2.172 -17.033 7.462 1.00 0.00 H new ATOM 0 HA GLU A 70 0.450 -16.314 8.229 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -1.224 -18.668 8.061 1.00 0.00 H new ATOM 0 HB3 GLU A 70 0.347 -19.040 7.380 1.00 0.00 H new ATOM 0 HG2 GLU A 70 1.454 -18.273 9.439 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -0.091 -17.803 10.120 1.00 0.00 H new ATOM 1100 N PHE A 71 1.431 -15.850 5.950 1.00 0.00 N ATOM 1101 CA PHE A 71 2.227 -15.722 4.735 1.00 0.00 C ATOM 1102 C PHE A 71 3.568 -16.432 4.886 1.00 0.00 C ATOM 1103 O PHE A 71 4.391 -16.058 5.724 1.00 0.00 O ATOM 1104 CB PHE A 71 2.452 -14.247 4.400 1.00 0.00 C ATOM 1105 CG PHE A 71 3.555 -14.018 3.406 1.00 0.00 C ATOM 1106 CD1 PHE A 71 4.872 -13.919 3.825 1.00 0.00 C ATOM 1107 CD2 PHE A 71 3.275 -13.906 2.054 1.00 0.00 C ATOM 1108 CE1 PHE A 71 5.889 -13.708 2.912 1.00 0.00 C ATOM 1109 CE2 PHE A 71 4.287 -13.696 1.137 1.00 0.00 C ATOM 1110 CZ PHE A 71 5.597 -13.598 1.567 1.00 0.00 C ATOM 0 H PHE A 71 1.481 -15.044 6.573 1.00 0.00 H new ATOM 0 HA PHE A 71 1.677 -16.192 3.920 1.00 0.00 H new ATOM 0 HB2 PHE A 71 1.526 -13.827 4.006 1.00 0.00 H new ATOM 0 HB3 PHE A 71 2.683 -13.706 5.317 1.00 0.00 H new ATOM 0 HD1 PHE A 71 5.107 -14.008 4.875 1.00 0.00 H new ATOM 0 HD2 PHE A 71 2.253 -13.984 1.713 1.00 0.00 H new ATOM 0 HE1 PHE A 71 6.911 -13.629 3.251 1.00 0.00 H new ATOM 0 HE2 PHE A 71 4.055 -13.609 0.086 1.00 0.00 H new ATOM 0 HZ PHE A 71 6.390 -13.436 0.852 1.00 0.00 H new ATOM 1120 N LEU A 72 3.784 -17.458 4.071 1.00 0.00 N ATOM 1121 CA LEU A 72 5.025 -18.222 4.114 1.00 0.00 C ATOM 1122 C LEU A 72 5.277 -18.775 5.512 1.00 0.00 C ATOM 1123 O LEU A 72 6.422 -18.891 5.948 1.00 0.00 O ATOM 1124 CB LEU A 72 6.202 -17.345 3.680 1.00 0.00 C ATOM 1125 CG LEU A 72 6.419 -17.211 2.172 1.00 0.00 C ATOM 1126 CD1 LEU A 72 6.637 -18.578 1.541 1.00 0.00 C ATOM 1127 CD2 LEU A 72 5.237 -16.505 1.524 1.00 0.00 C ATOM 0 H LEU A 72 3.115 -17.780 3.372 1.00 0.00 H new ATOM 0 HA LEU A 72 4.930 -19.061 3.424 1.00 0.00 H new ATOM 0 HB2 LEU A 72 6.059 -16.348 4.096 1.00 0.00 H new ATOM 0 HB3 LEU A 72 7.112 -17.748 4.123 1.00 0.00 H new ATOM 0 HG LEU A 72 7.312 -16.609 2.005 1.00 0.00 H new ATOM 0 HD11 LEU A 72 6.790 -18.463 0.468 1.00 0.00 H new ATOM 0 HD12 LEU A 72 7.515 -19.047 1.984 1.00 0.00 H new ATOM 0 HD13 LEU A 72 5.763 -19.204 1.718 1.00 0.00 H new ATOM 0 HD21 LEU A 72 5.409 -16.418 0.451 1.00 0.00 H new ATOM 0 HD22 LEU A 72 4.328 -17.080 1.701 1.00 0.00 H new ATOM 0 HD23 LEU A 72 5.126 -15.510 1.955 1.00 0.00 H new ATOM 1139 N GLY A 73 4.199 -19.118 6.211 1.00 0.00 N ATOM 1140 CA GLY A 73 4.325 -19.657 7.552 1.00 0.00 C ATOM 1141 C GLY A 73 4.320 -18.575 8.614 1.00 0.00 C ATOM 1142 O GLY A 73 4.104 -18.854 9.795 1.00 0.00 O ATOM 0 H GLY A 73 3.241 -19.032 5.872 1.00 0.00 H new ATOM 0 HA2 GLY A 73 3.505 -20.350 7.740 1.00 0.00 H new ATOM 0 HA3 GLY A 73 5.250 -20.229 7.625 1.00 0.00 H new ATOM 1146 N LYS A 74 4.563 -17.338 8.197 1.00 0.00 N ATOM 1147 CA LYS A 74 4.588 -16.209 9.120 1.00 0.00 C ATOM 1148 C LYS A 74 3.383 -15.300 8.899 1.00 0.00 C ATOM 1149 O LYS A 74 2.923 -15.128 7.771 1.00 0.00 O ATOM 1150 CB LYS A 74 5.881 -15.411 8.947 1.00 0.00 C ATOM 1151 CG LYS A 74 7.126 -16.168 9.378 1.00 0.00 C ATOM 1152 CD LYS A 74 7.301 -16.140 10.887 1.00 0.00 C ATOM 1153 CE LYS A 74 6.956 -17.482 11.514 1.00 0.00 C ATOM 1154 NZ LYS A 74 6.637 -17.352 12.962 1.00 0.00 N ATOM 0 H LYS A 74 4.746 -17.091 7.224 1.00 0.00 H new ATOM 0 HA LYS A 74 4.544 -16.601 10.136 1.00 0.00 H new ATOM 0 HB2 LYS A 74 5.984 -15.125 7.900 1.00 0.00 H new ATOM 0 HB3 LYS A 74 5.809 -14.489 9.524 1.00 0.00 H new ATOM 0 HG2 LYS A 74 7.061 -17.201 9.037 1.00 0.00 H new ATOM 0 HG3 LYS A 74 8.003 -15.730 8.901 1.00 0.00 H new ATOM 0 HD2 LYS A 74 8.331 -15.878 11.130 1.00 0.00 H new ATOM 0 HD3 LYS A 74 6.665 -15.364 11.314 1.00 0.00 H new ATOM 0 HE2 LYS A 74 6.104 -17.918 10.992 1.00 0.00 H new ATOM 0 HE3 LYS A 74 7.793 -18.168 11.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 6.407 -18.288 13.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 7.459 -16.959 13.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 5.822 -16.717 13.082 1.00 0.00 H new ATOM 1168 N GLU A 75 2.880 -14.718 9.984 1.00 0.00 N ATOM 1169 CA GLU A 75 1.729 -13.827 9.907 1.00 0.00 C ATOM 1170 C GLU A 75 2.171 -12.391 9.636 1.00 0.00 C ATOM 1171 O GLU A 75 3.076 -11.875 10.291 1.00 0.00 O ATOM 1172 CB GLU A 75 0.922 -13.885 11.205 1.00 0.00 C ATOM 1173 CG GLU A 75 -0.003 -12.696 11.403 1.00 0.00 C ATOM 1174 CD GLU A 75 -1.159 -13.004 12.334 1.00 0.00 C ATOM 1175 OE1 GLU A 75 -2.140 -13.628 11.878 1.00 0.00 O ATOM 1176 OE2 GLU A 75 -1.082 -12.621 13.520 1.00 0.00 O ATOM 0 H GLU A 75 3.251 -14.848 10.925 1.00 0.00 H new ATOM 0 HA GLU A 75 1.100 -14.159 9.081 1.00 0.00 H new ATOM 0 HB2 GLU A 75 0.330 -14.800 11.214 1.00 0.00 H new ATOM 0 HB3 GLU A 75 1.610 -13.943 12.048 1.00 0.00 H new ATOM 0 HG2 GLU A 75 0.568 -11.859 11.804 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -0.395 -12.380 10.436 1.00 0.00 H new ATOM 1183 N MET A 76 1.526 -11.752 8.665 1.00 0.00 N ATOM 1184 CA MET A 76 1.851 -10.377 8.307 1.00 0.00 C ATOM 1185 C MET A 76 0.697 -9.440 8.643 1.00 0.00 C ATOM 1186 O MET A 76 -0.472 -9.786 8.462 1.00 0.00 O ATOM 1187 CB MET A 76 2.184 -10.281 6.817 1.00 0.00 C ATOM 1188 CG MET A 76 2.085 -8.869 6.262 1.00 0.00 C ATOM 1189 SD MET A 76 0.632 -8.633 5.222 1.00 0.00 S ATOM 1190 CE MET A 76 0.787 -10.021 4.102 1.00 0.00 C ATOM 0 H MET A 76 0.775 -12.165 8.112 1.00 0.00 H new ATOM 0 HA MET A 76 2.722 -10.073 8.887 1.00 0.00 H new ATOM 0 HB2 MET A 76 3.194 -10.657 6.654 1.00 0.00 H new ATOM 0 HB3 MET A 76 1.509 -10.930 6.260 1.00 0.00 H new ATOM 0 HG2 MET A 76 2.055 -8.159 7.089 1.00 0.00 H new ATOM 0 HG3 MET A 76 2.981 -8.646 5.683 1.00 0.00 H new ATOM 0 HE1 MET A 76 0.448 -9.727 3.109 1.00 0.00 H new ATOM 0 HE2 MET A 76 1.830 -10.333 4.051 1.00 0.00 H new ATOM 0 HE3 MET A 76 0.178 -10.850 4.463 1.00 0.00 H new ATOM 1200 N LYS A 77 1.028 -8.250 9.135 1.00 0.00 N ATOM 1201 CA LYS A 77 0.020 -7.263 9.495 1.00 0.00 C ATOM 1202 C LYS A 77 -0.148 -6.227 8.389 1.00 0.00 C ATOM 1203 O LYS A 77 0.672 -6.142 7.474 1.00 0.00 O ATOM 1204 CB LYS A 77 0.401 -6.567 10.805 1.00 0.00 C ATOM 1205 CG LYS A 77 -0.465 -6.972 11.985 1.00 0.00 C ATOM 1206 CD LYS A 77 0.222 -6.678 13.307 1.00 0.00 C ATOM 1207 CE LYS A 77 -0.780 -6.269 14.376 1.00 0.00 C ATOM 1208 NZ LYS A 77 -0.471 -6.892 15.694 1.00 0.00 N ATOM 0 H LYS A 77 1.989 -7.947 9.293 1.00 0.00 H new ATOM 0 HA LYS A 77 -0.928 -7.783 9.629 1.00 0.00 H new ATOM 0 HB2 LYS A 77 1.442 -6.791 11.036 1.00 0.00 H new ATOM 0 HB3 LYS A 77 0.330 -5.488 10.667 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -1.414 -6.439 11.941 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -0.694 -8.036 11.921 1.00 0.00 H new ATOM 0 HD2 LYS A 77 0.769 -7.561 13.638 1.00 0.00 H new ATOM 0 HD3 LYS A 77 0.954 -5.882 13.169 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -0.779 -5.184 14.478 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -1.783 -6.559 14.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -1.176 -6.589 16.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -0.497 -7.928 15.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 0.476 -6.595 16.005 1.00 0.00 H new ATOM 1222 N LEU A 78 -1.215 -5.440 8.477 1.00 0.00 N ATOM 1223 CA LEU A 78 -1.490 -4.408 7.483 1.00 0.00 C ATOM 1224 C LEU A 78 -2.244 -3.239 8.107 1.00 0.00 C ATOM 1225 O LEU A 78 -3.227 -3.431 8.824 1.00 0.00 O ATOM 1226 CB LEU A 78 -2.300 -4.992 6.324 1.00 0.00 C ATOM 1227 CG LEU A 78 -1.594 -6.054 5.479 1.00 0.00 C ATOM 1228 CD1 LEU A 78 -2.604 -6.844 4.664 1.00 0.00 C ATOM 1229 CD2 LEU A 78 -0.559 -5.409 4.570 1.00 0.00 C ATOM 0 H LEU A 78 -1.904 -5.497 9.227 1.00 0.00 H new ATOM 0 HA LEU A 78 -0.537 -4.040 7.103 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -3.214 -5.427 6.729 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -2.599 -4.175 5.668 1.00 0.00 H new ATOM 0 HG LEU A 78 -1.080 -6.743 6.149 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -2.084 -7.595 4.069 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -3.308 -7.336 5.335 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -3.146 -6.168 4.002 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -0.066 -6.179 3.976 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -1.051 -4.698 3.906 1.00 0.00 H new ATOM 0 HD23 LEU A 78 0.183 -4.888 5.175 1.00 0.00 H new ATOM 1241 N TYR A 79 -1.780 -2.025 7.828 1.00 0.00 N ATOM 1242 CA TYR A 79 -2.410 -0.824 8.362 1.00 0.00 C ATOM 1243 C TYR A 79 -2.778 0.142 7.240 1.00 0.00 C ATOM 1244 O TYR A 79 -2.153 0.149 6.180 1.00 0.00 O ATOM 1245 CB TYR A 79 -1.477 -0.134 9.358 1.00 0.00 C ATOM 1246 CG TYR A 79 -1.443 -0.798 10.717 1.00 0.00 C ATOM 1247 CD1 TYR A 79 -0.689 -1.944 10.933 1.00 0.00 C ATOM 1248 CD2 TYR A 79 -2.165 -0.278 11.783 1.00 0.00 C ATOM 1249 CE1 TYR A 79 -0.657 -2.554 12.172 1.00 0.00 C ATOM 1250 CE2 TYR A 79 -2.137 -0.880 13.027 1.00 0.00 C ATOM 1251 CZ TYR A 79 -1.382 -2.019 13.215 1.00 0.00 C ATOM 1252 OH TYR A 79 -1.350 -2.623 14.451 1.00 0.00 O ATOM 0 H TYR A 79 -0.969 -1.848 7.235 1.00 0.00 H new ATOM 0 HA TYR A 79 -3.324 -1.121 8.876 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -0.468 -0.117 8.946 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -1.790 0.903 9.478 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -0.118 -2.365 10.119 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -2.759 0.612 11.638 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -0.067 -3.446 12.323 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -2.703 -0.461 13.846 1.00 0.00 H new ATOM 0 HH TYR A 79 -1.914 -2.120 15.075 1.00 0.00 H new ATOM 1262 N PHE A 80 -3.799 0.958 7.483 1.00 0.00 N ATOM 1263 CA PHE A 80 -4.253 1.929 6.494 1.00 0.00 C ATOM 1264 C PHE A 80 -3.460 3.228 6.604 1.00 0.00 C ATOM 1265 O PHE A 80 -3.604 3.976 7.571 1.00 0.00 O ATOM 1266 CB PHE A 80 -5.745 2.212 6.674 1.00 0.00 C ATOM 1267 CG PHE A 80 -6.626 1.372 5.794 1.00 0.00 C ATOM 1268 CD1 PHE A 80 -6.386 1.286 4.431 1.00 0.00 C ATOM 1269 CD2 PHE A 80 -7.693 0.668 6.328 1.00 0.00 C ATOM 1270 CE1 PHE A 80 -7.193 0.514 3.619 1.00 0.00 C ATOM 1271 CE2 PHE A 80 -8.504 -0.106 5.519 1.00 0.00 C ATOM 1272 CZ PHE A 80 -8.255 -0.183 4.163 1.00 0.00 C ATOM 0 H PHE A 80 -4.327 0.966 8.356 1.00 0.00 H new ATOM 0 HA PHE A 80 -4.088 1.506 5.503 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -6.016 2.040 7.716 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -5.935 3.265 6.465 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -5.558 1.829 4.000 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -7.893 0.724 7.388 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -6.994 0.455 2.559 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -9.332 -0.650 5.948 1.00 0.00 H new ATOM 0 HZ PHE A 80 -8.888 -0.786 3.529 1.00 0.00 H new