USER MOD reduce.3.24.130724 H: found=0, std=0, add=465, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 462 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 29 CYS SG : rot 140:sc= -0.286 USER MOD Set 1.2: A 38 CYS SG : rot 174:sc= 1.41 USER MOD Set 1.3: A 74 CYS SG : rot -132:sc= 1.32 USER MOD Set 1.4: A 77 HIS : no HD1:sc= 1.76 K(o=4.2,f=-7.4!) USER MOD Set 2.1: A 27 GLN : amide:sc= 0.192 K(o=0.19,f=-0.65) USER MOD Set 2.2: A 72 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 44 ASN : amide:sc= 0.67 K(o=1.6,f=-5.1!) USER MOD Set 3.2: A 78 LYS NZ :NH3+ 146:sc= 0.947 (180deg=1.2) USER MOD Set 4.1: A 30 CYS SG : rot -76:sc= -0.873 USER MOD Set 4.2: A 70 HIS : no HD1:sc= -0.959 K(o=-1.8,f=0.059) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= 0.162 X(o=0.16,f=0) USER MOD Single : A 58 LYS NZ :NH3+ 132:sc= 1.22 (180deg=0.381) USER MOD Single : A 59 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0393) USER MOD Single : A 61 LYS NZ :NH3+ 151:sc= 0.517 (180deg=-0.527!) USER MOD Single : A 66 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0276) USER MOD Single : A 67 SER OG : rot 85:sc= 1.11 USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 47 N GLN A 27 -2.686 8.094 -5.670 1.00 0.00 N ATOM 48 CA GLN A 27 -3.574 8.939 -6.496 1.00 0.00 C ATOM 49 C GLN A 27 -4.698 9.632 -5.696 1.00 0.00 C ATOM 50 O GLN A 27 -5.887 9.364 -5.848 1.00 0.00 O ATOM 51 CB GLN A 27 -4.146 8.119 -7.663 1.00 0.00 C ATOM 52 CG GLN A 27 -4.566 8.968 -8.877 1.00 0.00 C ATOM 53 CD GLN A 27 -3.408 9.484 -9.726 1.00 0.00 C ATOM 54 OE1 GLN A 27 -2.238 9.370 -9.392 1.00 0.00 O ATOM 55 NE2 GLN A 27 -3.702 10.064 -10.867 1.00 0.00 N ATOM 0 HA GLN A 27 -2.958 9.749 -6.888 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -3.400 7.391 -7.982 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -5.010 7.556 -7.309 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -5.225 8.373 -9.509 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -5.147 9.820 -8.524 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -4.676 10.163 -11.153 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -2.956 10.416 -11.467 1.00 0.00 H new ATOM 64 N SER A 28 -4.298 10.535 -4.817 1.00 0.00 N ATOM 65 CA SER A 28 -5.147 11.411 -4.015 1.00 0.00 C ATOM 66 C SER A 28 -4.641 12.847 -4.153 1.00 0.00 C ATOM 67 O SER A 28 -3.583 13.071 -4.761 1.00 0.00 O ATOM 68 CB SER A 28 -5.164 10.962 -2.552 1.00 0.00 C ATOM 69 OG SER A 28 -5.283 9.556 -2.454 1.00 0.00 O ATOM 0 H SER A 28 -3.307 10.689 -4.630 1.00 0.00 H new ATOM 0 HA SER A 28 -6.174 11.359 -4.376 1.00 0.00 H new ATOM 0 HB2 SER A 28 -4.249 11.288 -2.057 1.00 0.00 H new ATOM 0 HB3 SER A 28 -5.995 11.438 -2.032 1.00 0.00 H new ATOM 0 HG SER A 28 -5.290 9.293 -1.510 1.00 0.00 H new ATOM 75 N CYS A 29 -5.406 13.802 -3.625 1.00 0.00 N ATOM 76 CA CYS A 29 -5.083 15.222 -3.601 1.00 0.00 C ATOM 77 C CYS A 29 -3.687 15.509 -2.993 1.00 0.00 C ATOM 78 O CYS A 29 -2.994 14.649 -2.433 1.00 0.00 O ATOM 79 CB CYS A 29 -6.251 15.961 -2.906 1.00 0.00 C ATOM 80 SG CYS A 29 -6.362 17.713 -3.381 1.00 0.00 S ATOM 0 H CYS A 29 -6.303 13.596 -3.185 1.00 0.00 H new ATOM 0 HA CYS A 29 -4.990 15.606 -4.617 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -7.188 15.463 -3.153 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -6.128 15.890 -1.825 1.00 0.00 H new ATOM 0 HG CYS A 29 -7.610 18.042 -3.539 1.00 0.00 H new ATOM 85 N CYS A 30 -3.251 16.749 -3.160 1.00 0.00 N ATOM 86 CA CYS A 30 -1.972 17.246 -2.652 1.00 0.00 C ATOM 87 C CYS A 30 -2.069 18.672 -2.106 1.00 0.00 C ATOM 88 O CYS A 30 -1.063 19.253 -1.690 1.00 0.00 O ATOM 89 CB CYS A 30 -0.925 17.142 -3.767 1.00 0.00 C ATOM 90 SG CYS A 30 0.705 16.877 -3.017 1.00 0.00 S ATOM 0 H CYS A 30 -3.786 17.457 -3.663 1.00 0.00 H new ATOM 0 HA CYS A 30 -1.672 16.628 -1.806 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -1.170 16.319 -4.439 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -0.921 18.052 -4.367 1.00 0.00 H new ATOM 0 HG CYS A 30 1.140 17.996 -2.518 1.00 0.00 H new ATOM 96 N LEU A 31 -3.273 19.244 -2.145 1.00 0.00 N ATOM 97 CA LEU A 31 -3.553 20.537 -1.549 1.00 0.00 C ATOM 98 C LEU A 31 -3.724 20.385 -0.036 1.00 0.00 C ATOM 99 O LEU A 31 -3.955 19.304 0.511 1.00 0.00 O ATOM 100 CB LEU A 31 -4.805 21.151 -2.207 1.00 0.00 C ATOM 101 CG LEU A 31 -4.549 21.620 -3.652 1.00 0.00 C ATOM 102 CD1 LEU A 31 -5.877 21.825 -4.368 1.00 0.00 C ATOM 103 CD2 LEU A 31 -3.783 22.937 -3.737 1.00 0.00 C ATOM 0 H LEU A 31 -4.082 18.815 -2.595 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.717 21.215 -1.722 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.609 20.415 -2.206 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -5.146 21.997 -1.610 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.945 20.840 -4.116 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -5.692 22.157 -5.390 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -6.430 20.886 -4.386 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -6.461 22.580 -3.842 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.638 23.207 -4.783 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.350 23.721 -3.235 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.813 22.825 -3.253 1.00 0.00 H new ATOM 115 N ILE A 32 -3.643 21.517 0.634 1.00 0.00 N ATOM 116 CA ILE A 32 -3.870 21.694 2.061 1.00 0.00 C ATOM 117 C ILE A 32 -4.817 22.882 2.148 1.00 0.00 C ATOM 118 O ILE A 32 -4.614 23.866 1.439 1.00 0.00 O ATOM 119 CB ILE A 32 -2.531 21.969 2.784 1.00 0.00 C ATOM 120 CG1 ILE A 32 -1.579 20.758 2.649 1.00 0.00 C ATOM 121 CG2 ILE A 32 -2.760 22.345 4.258 1.00 0.00 C ATOM 122 CD1 ILE A 32 -0.249 20.904 3.398 1.00 0.00 C ATOM 0 H ILE A 32 -3.402 22.394 0.171 1.00 0.00 H new ATOM 0 HA ILE A 32 -4.291 20.811 2.542 1.00 0.00 H new ATOM 0 HB ILE A 32 -2.055 22.824 2.303 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -2.091 19.868 3.015 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -1.369 20.594 1.592 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -1.800 22.532 4.739 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -3.375 23.243 4.313 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -3.268 21.526 4.768 1.00 0.00 H new ATOM 0 HD11 ILE A 32 0.354 20.009 3.247 1.00 0.00 H new ATOM 0 HD12 ILE A 32 0.289 21.772 3.018 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -0.443 21.035 4.462 1.00 0.00 H new ATOM 134 N GLU A 33 -5.849 22.807 2.983 1.00 0.00 N ATOM 135 CA GLU A 33 -6.761 23.926 3.200 1.00 0.00 C ATOM 136 C GLU A 33 -6.967 24.140 4.696 1.00 0.00 C ATOM 137 O GLU A 33 -7.274 23.212 5.436 1.00 0.00 O ATOM 138 CB GLU A 33 -8.073 23.742 2.419 1.00 0.00 C ATOM 139 CG GLU A 33 -8.692 25.129 2.186 1.00 0.00 C ATOM 140 CD GLU A 33 -9.991 25.137 1.373 1.00 0.00 C ATOM 141 OE1 GLU A 33 -10.183 24.220 0.534 1.00 0.00 O ATOM 142 OE2 GLU A 33 -10.748 26.119 1.570 1.00 0.00 O ATOM 0 H GLU A 33 -6.076 21.974 3.526 1.00 0.00 H new ATOM 0 HA GLU A 33 -6.316 24.839 2.803 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -7.882 23.246 1.467 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -8.762 23.107 2.977 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -8.886 25.590 3.155 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -7.960 25.755 1.676 1.00 0.00 H new ATOM 149 N ASP A 34 -6.716 25.371 5.147 1.00 0.00 N ATOM 150 CA ASP A 34 -6.725 25.788 6.567 1.00 0.00 C ATOM 151 C ASP A 34 -5.639 25.116 7.441 1.00 0.00 C ATOM 152 O ASP A 34 -5.456 25.462 8.604 1.00 0.00 O ATOM 153 CB ASP A 34 -8.142 25.615 7.155 1.00 0.00 C ATOM 154 CG ASP A 34 -8.625 26.845 7.913 1.00 0.00 C ATOM 155 OD1 ASP A 34 -8.718 27.901 7.243 1.00 0.00 O ATOM 156 OD2 ASP A 34 -9.013 26.734 9.089 1.00 0.00 O ATOM 0 H ASP A 34 -6.491 26.140 4.516 1.00 0.00 H new ATOM 0 HA ASP A 34 -6.457 26.844 6.585 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -8.840 25.395 6.347 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -8.149 24.756 7.825 1.00 0.00 H new ATOM 161 N GLY A 35 -4.893 24.175 6.861 1.00 0.00 N ATOM 162 CA GLY A 35 -3.893 23.319 7.503 1.00 0.00 C ATOM 163 C GLY A 35 -4.278 21.838 7.434 1.00 0.00 C ATOM 164 O GLY A 35 -3.422 20.980 7.633 1.00 0.00 O ATOM 0 H GLY A 35 -4.976 23.977 5.864 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -2.927 23.465 7.021 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -3.777 23.616 8.545 1.00 0.00 H new ATOM 168 N GLU A 36 -5.542 21.531 7.125 1.00 0.00 N ATOM 169 CA GLU A 36 -6.003 20.165 6.893 1.00 0.00 C ATOM 170 C GLU A 36 -5.460 19.699 5.542 1.00 0.00 C ATOM 171 O GLU A 36 -5.590 20.387 4.524 1.00 0.00 O ATOM 172 CB GLU A 36 -7.539 20.102 6.916 1.00 0.00 C ATOM 173 CG GLU A 36 -8.119 18.708 6.605 1.00 0.00 C ATOM 174 CD GLU A 36 -7.635 17.611 7.566 1.00 0.00 C ATOM 175 OE1 GLU A 36 -6.432 17.260 7.497 1.00 0.00 O ATOM 176 OE2 GLU A 36 -8.467 17.114 8.359 1.00 0.00 O ATOM 0 H GLU A 36 -6.277 22.232 7.029 1.00 0.00 H new ATOM 0 HA GLU A 36 -5.638 19.509 7.683 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -7.890 20.418 7.898 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -7.932 20.816 6.192 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -9.207 18.760 6.644 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -7.850 18.431 5.586 1.00 0.00 H new ATOM 183 N ARG A 37 -4.831 18.524 5.523 1.00 0.00 N ATOM 184 CA ARG A 37 -4.223 17.959 4.317 1.00 0.00 C ATOM 185 C ARG A 37 -5.310 17.214 3.552 1.00 0.00 C ATOM 186 O ARG A 37 -5.699 16.122 3.951 1.00 0.00 O ATOM 187 CB ARG A 37 -3.032 17.074 4.730 1.00 0.00 C ATOM 188 CG ARG A 37 -1.954 16.856 3.657 1.00 0.00 C ATOM 189 CD ARG A 37 -2.466 16.392 2.283 1.00 0.00 C ATOM 190 NE ARG A 37 -1.489 15.487 1.643 1.00 0.00 N ATOM 191 CZ ARG A 37 -1.407 14.187 1.849 1.00 0.00 C ATOM 192 NH1 ARG A 37 -2.354 13.524 2.450 1.00 0.00 N ATOM 193 NH2 ARG A 37 -0.343 13.536 1.478 1.00 0.00 N ATOM 0 H ARG A 37 -4.728 17.933 6.348 1.00 0.00 H new ATOM 0 HA ARG A 37 -3.822 18.723 3.652 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -2.560 17.519 5.606 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -3.416 16.100 5.035 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -1.406 17.789 3.524 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -1.243 16.118 4.027 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -3.422 15.881 2.399 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -2.642 17.257 1.643 1.00 0.00 H new ATOM 0 HE ARG A 37 -0.824 15.901 0.989 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -3.189 14.010 2.776 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -2.260 12.519 2.594 1.00 0.00 H new ATOM 0 HH21 ARG A 37 0.427 14.031 1.028 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -0.279 12.531 1.637 1.00 0.00 H new ATOM 207 N CYS A 38 -5.770 17.767 2.433 1.00 0.00 N ATOM 208 CA CYS A 38 -6.779 17.140 1.581 1.00 0.00 C ATOM 209 C CYS A 38 -6.377 15.694 1.204 1.00 0.00 C ATOM 210 O CYS A 38 -5.263 15.442 0.741 1.00 0.00 O ATOM 211 CB CYS A 38 -6.997 18.051 0.366 1.00 0.00 C ATOM 212 SG CYS A 38 -8.611 17.703 -0.401 1.00 0.00 S ATOM 0 H CYS A 38 -5.450 18.672 2.088 1.00 0.00 H new ATOM 0 HA CYS A 38 -7.726 17.037 2.111 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -6.950 19.096 0.673 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -6.200 17.896 -0.361 1.00 0.00 H new ATOM 0 HG CYS A 38 -8.840 18.569 -1.343 1.00 0.00 H new ATOM 217 N VAL A 39 -7.280 14.732 1.427 1.00 0.00 N ATOM 218 CA VAL A 39 -7.058 13.288 1.187 1.00 0.00 C ATOM 219 C VAL A 39 -8.042 12.693 0.179 1.00 0.00 C ATOM 220 O VAL A 39 -8.059 11.479 -0.019 1.00 0.00 O ATOM 221 CB VAL A 39 -7.075 12.445 2.487 1.00 0.00 C ATOM 222 CG1 VAL A 39 -5.903 12.762 3.414 1.00 0.00 C ATOM 223 CG2 VAL A 39 -8.387 12.575 3.273 1.00 0.00 C ATOM 0 H VAL A 39 -8.212 14.934 1.789 1.00 0.00 H new ATOM 0 HA VAL A 39 -6.056 13.235 0.761 1.00 0.00 H new ATOM 0 HB VAL A 39 -6.981 11.415 2.142 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -5.968 12.141 4.308 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -4.965 12.558 2.898 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -5.939 13.813 3.699 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -8.335 11.961 4.172 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -8.541 13.617 3.554 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -9.218 12.240 2.652 1.00 0.00 H new ATOM 233 N ARG A 40 -8.888 13.508 -0.463 1.00 0.00 N ATOM 234 CA ARG A 40 -9.819 13.015 -1.493 1.00 0.00 C ATOM 235 C ARG A 40 -9.076 12.336 -2.664 1.00 0.00 C ATOM 236 O ARG A 40 -7.955 12.742 -2.983 1.00 0.00 O ATOM 237 CB ARG A 40 -10.673 14.165 -2.032 1.00 0.00 C ATOM 238 CG ARG A 40 -11.985 14.390 -1.280 1.00 0.00 C ATOM 239 CD ARG A 40 -12.782 15.446 -2.055 1.00 0.00 C ATOM 240 NE ARG A 40 -14.170 15.578 -1.573 1.00 0.00 N ATOM 241 CZ ARG A 40 -15.266 15.460 -2.307 1.00 0.00 C ATOM 242 NH1 ARG A 40 -15.266 15.024 -3.529 1.00 0.00 N ATOM 243 NH2 ARG A 40 -16.417 15.813 -1.814 1.00 0.00 N ATOM 0 H ARG A 40 -8.949 14.511 -0.290 1.00 0.00 H new ATOM 0 HA ARG A 40 -10.459 12.270 -1.019 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -10.087 15.083 -1.996 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -10.899 13.972 -3.081 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -12.550 13.461 -1.206 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -11.791 14.727 -0.262 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -12.279 16.409 -1.970 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -12.792 15.184 -3.113 1.00 0.00 H new ATOM 0 HE ARG A 40 -14.298 15.779 -0.581 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -14.389 14.751 -3.973 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -16.143 14.955 -4.046 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -16.474 16.180 -0.864 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -17.262 15.723 -2.378 1.00 0.00 H new ATOM 257 N PRO A 41 -9.705 11.359 -3.347 1.00 0.00 N ATOM 258 CA PRO A 41 -9.113 10.687 -4.501 1.00 0.00 C ATOM 259 C PRO A 41 -8.884 11.670 -5.654 1.00 0.00 C ATOM 260 O PRO A 41 -9.744 12.492 -5.968 1.00 0.00 O ATOM 261 CB PRO A 41 -10.099 9.577 -4.883 1.00 0.00 C ATOM 262 CG PRO A 41 -11.443 10.098 -4.380 1.00 0.00 C ATOM 263 CD PRO A 41 -11.060 10.870 -3.118 1.00 0.00 C ATOM 0 HA PRO A 41 -8.131 10.275 -4.270 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -10.113 9.407 -5.960 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -9.836 8.629 -4.414 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -11.928 10.741 -5.115 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -12.135 9.285 -4.162 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -11.749 11.696 -2.941 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -11.100 10.227 -2.239 1.00 0.00 H new ATOM 271 N ALA A 42 -7.719 11.569 -6.291 1.00 0.00 N ATOM 272 CA ALA A 42 -7.372 12.371 -7.457 1.00 0.00 C ATOM 273 C ALA A 42 -7.855 11.713 -8.758 1.00 0.00 C ATOM 274 O ALA A 42 -7.804 10.495 -8.918 1.00 0.00 O ATOM 275 CB ALA A 42 -5.855 12.583 -7.483 1.00 0.00 C ATOM 0 H ALA A 42 -6.984 10.921 -6.008 1.00 0.00 H new ATOM 0 HA ALA A 42 -7.874 13.336 -7.384 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -5.586 13.182 -8.353 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.544 13.101 -6.575 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.354 11.617 -7.539 1.00 0.00 H new ATOM 281 N GLY A 43 -8.262 12.544 -9.719 1.00 0.00 N ATOM 282 CA GLY A 43 -8.773 12.105 -11.026 1.00 0.00 C ATOM 283 C GLY A 43 -8.168 12.895 -12.185 1.00 0.00 C ATOM 284 O GLY A 43 -6.960 13.107 -12.236 1.00 0.00 O ATOM 0 H GLY A 43 -8.247 13.558 -9.613 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -8.556 11.045 -11.160 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -9.857 12.213 -11.044 1.00 0.00 H new ATOM 288 N ASN A 44 -9.003 13.366 -13.119 1.00 0.00 N ATOM 289 CA ASN A 44 -8.606 14.249 -14.234 1.00 0.00 C ATOM 290 C ASN A 44 -8.214 15.681 -13.774 1.00 0.00 C ATOM 291 O ASN A 44 -8.414 16.665 -14.494 1.00 0.00 O ATOM 292 CB ASN A 44 -9.745 14.248 -15.275 1.00 0.00 C ATOM 293 CG ASN A 44 -11.062 14.776 -14.730 1.00 0.00 C ATOM 294 OD1 ASN A 44 -11.239 15.949 -14.441 1.00 0.00 O ATOM 295 ND2 ASN A 44 -12.047 13.926 -14.576 1.00 0.00 N ATOM 0 H ASN A 44 -9.998 13.141 -13.125 1.00 0.00 H new ATOM 0 HA ASN A 44 -7.695 13.860 -14.688 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -9.446 14.853 -16.131 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -9.893 13.232 -15.640 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -12.947 14.247 -14.219 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -11.914 12.943 -14.813 1.00 0.00 H new ATOM 302 N ALA A 45 -7.704 15.809 -12.550 1.00 0.00 N ATOM 303 CA ALA A 45 -7.393 17.044 -11.861 1.00 0.00 C ATOM 304 C ALA A 45 -5.933 17.026 -11.370 1.00 0.00 C ATOM 305 O ALA A 45 -5.512 16.138 -10.626 1.00 0.00 O ATOM 306 CB ALA A 45 -8.390 17.189 -10.704 1.00 0.00 C ATOM 0 H ALA A 45 -7.485 14.991 -11.981 1.00 0.00 H new ATOM 0 HA ALA A 45 -7.486 17.902 -12.526 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -8.185 18.111 -10.161 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -9.405 17.219 -11.100 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -8.289 16.340 -10.028 1.00 0.00 H new ATOM 312 N SER A 46 -5.168 18.029 -11.787 1.00 0.00 N ATOM 313 CA SER A 46 -3.751 18.193 -11.458 1.00 0.00 C ATOM 314 C SER A 46 -3.418 19.653 -11.133 1.00 0.00 C ATOM 315 O SER A 46 -4.227 20.556 -11.353 1.00 0.00 O ATOM 316 CB SER A 46 -2.859 17.625 -12.584 1.00 0.00 C ATOM 317 OG SER A 46 -3.365 17.920 -13.877 1.00 0.00 O ATOM 0 H SER A 46 -5.526 18.776 -12.383 1.00 0.00 H new ATOM 0 HA SER A 46 -3.540 17.618 -10.556 1.00 0.00 H new ATOM 0 HB2 SER A 46 -1.853 18.034 -12.488 1.00 0.00 H new ATOM 0 HB3 SER A 46 -2.776 16.544 -12.467 1.00 0.00 H new ATOM 0 HG SER A 46 -2.768 17.543 -14.556 1.00 0.00 H new ATOM 323 N PHE A 47 -2.213 19.895 -10.604 1.00 0.00 N ATOM 324 CA PHE A 47 -1.768 21.207 -10.115 1.00 0.00 C ATOM 325 C PHE A 47 -0.617 21.811 -10.942 1.00 0.00 C ATOM 326 O PHE A 47 0.510 22.000 -10.479 1.00 0.00 O ATOM 327 CB PHE A 47 -1.516 21.137 -8.602 1.00 0.00 C ATOM 328 CG PHE A 47 -1.675 22.482 -7.939 1.00 0.00 C ATOM 329 CD1 PHE A 47 -2.964 23.017 -7.761 1.00 0.00 C ATOM 330 CD2 PHE A 47 -0.546 23.196 -7.507 1.00 0.00 C ATOM 331 CE1 PHE A 47 -3.124 24.258 -7.127 1.00 0.00 C ATOM 332 CE2 PHE A 47 -0.711 24.430 -6.861 1.00 0.00 C ATOM 333 CZ PHE A 47 -2.000 24.956 -6.658 1.00 0.00 C ATOM 0 H PHE A 47 -1.504 19.169 -10.501 1.00 0.00 H new ATOM 0 HA PHE A 47 -2.571 21.928 -10.268 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -2.209 20.427 -8.152 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -0.510 20.760 -8.419 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -3.829 22.473 -8.112 1.00 0.00 H new ATOM 0 HD2 PHE A 47 0.444 22.797 -7.671 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -4.112 24.676 -7.000 1.00 0.00 H new ATOM 0 HE2 PHE A 47 0.154 24.978 -6.518 1.00 0.00 H new ATOM 0 HZ PHE A 47 -2.125 25.896 -6.142 1.00 0.00 H new ATOM 343 N SER A 48 -0.910 22.093 -12.213 1.00 0.00 N ATOM 344 CA SER A 48 0.053 22.724 -13.119 1.00 0.00 C ATOM 345 C SER A 48 0.256 24.182 -12.720 1.00 0.00 C ATOM 346 O SER A 48 -0.724 24.878 -12.464 1.00 0.00 O ATOM 347 CB SER A 48 -0.453 22.688 -14.562 1.00 0.00 C ATOM 348 OG SER A 48 -0.560 21.351 -15.002 1.00 0.00 O ATOM 0 H SER A 48 -1.814 21.893 -12.641 1.00 0.00 H new ATOM 0 HA SER A 48 0.991 22.173 -13.049 1.00 0.00 H new ATOM 0 HB2 SER A 48 -1.423 23.180 -14.628 1.00 0.00 H new ATOM 0 HB3 SER A 48 0.229 23.239 -15.209 1.00 0.00 H new ATOM 0 HG SER A 48 -0.886 21.336 -15.926 1.00 0.00 H new ATOM 354 N LYS A 49 1.493 24.694 -12.776 1.00 0.00 N ATOM 355 CA LYS A 49 1.873 26.077 -12.395 1.00 0.00 C ATOM 356 C LYS A 49 0.904 27.177 -12.855 1.00 0.00 C ATOM 357 O LYS A 49 0.647 28.129 -12.123 1.00 0.00 O ATOM 358 CB LYS A 49 3.278 26.385 -12.930 1.00 0.00 C ATOM 359 CG LYS A 49 4.390 25.664 -12.152 1.00 0.00 C ATOM 360 CD LYS A 49 5.755 26.249 -12.542 1.00 0.00 C ATOM 361 CE LYS A 49 6.894 25.550 -11.792 1.00 0.00 C ATOM 362 NZ LYS A 49 8.214 26.152 -12.117 1.00 0.00 N ATOM 0 H LYS A 49 2.290 24.144 -13.098 1.00 0.00 H new ATOM 0 HA LYS A 49 1.838 26.095 -11.306 1.00 0.00 H new ATOM 0 HB2 LYS A 49 3.332 26.097 -13.980 1.00 0.00 H new ATOM 0 HB3 LYS A 49 3.450 27.460 -12.885 1.00 0.00 H new ATOM 0 HG2 LYS A 49 4.228 25.775 -11.080 1.00 0.00 H new ATOM 0 HG3 LYS A 49 4.366 24.596 -12.369 1.00 0.00 H new ATOM 0 HD2 LYS A 49 5.905 26.143 -13.616 1.00 0.00 H new ATOM 0 HD3 LYS A 49 5.772 27.316 -12.321 1.00 0.00 H new ATOM 0 HE2 LYS A 49 6.718 25.616 -10.718 1.00 0.00 H new ATOM 0 HE3 LYS A 49 6.903 24.491 -12.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 8.961 25.654 -11.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 8.393 26.067 -13.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 8.213 27.157 -11.849 1.00 0.00 H new ATOM 376 N ARG A 50 0.329 27.048 -14.057 1.00 0.00 N ATOM 377 CA ARG A 50 -0.651 27.999 -14.622 1.00 0.00 C ATOM 378 C ARG A 50 -1.912 28.184 -13.763 1.00 0.00 C ATOM 379 O ARG A 50 -2.556 29.232 -13.869 1.00 0.00 O ATOM 380 CB ARG A 50 -0.982 27.567 -16.064 1.00 0.00 C ATOM 381 CG ARG A 50 -1.558 28.699 -16.933 1.00 0.00 C ATOM 382 CD ARG A 50 -3.091 28.693 -17.064 1.00 0.00 C ATOM 383 NE ARG A 50 -3.555 29.773 -17.960 1.00 0.00 N ATOM 384 CZ ARG A 50 -3.670 31.057 -17.664 1.00 0.00 C ATOM 385 NH1 ARG A 50 -3.451 31.512 -16.458 1.00 0.00 N ATOM 386 NH2 ARG A 50 -3.984 31.912 -18.594 1.00 0.00 N ATOM 0 H ARG A 50 0.532 26.267 -14.680 1.00 0.00 H new ATOM 0 HA ARG A 50 -0.193 28.988 -14.629 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -0.077 27.184 -16.536 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -1.698 26.745 -16.032 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -1.247 29.655 -16.513 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -1.122 28.631 -17.930 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -3.422 27.729 -17.450 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -3.543 28.814 -16.080 1.00 0.00 H new ATOM 0 HE ARG A 50 -3.814 29.499 -18.908 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -3.183 30.870 -15.712 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -3.549 32.508 -16.263 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -4.141 31.591 -19.550 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -4.073 32.902 -18.367 1.00 0.00 H new ATOM 400 N VAL A 51 -2.251 27.193 -12.933 1.00 0.00 N ATOM 401 CA VAL A 51 -3.363 27.209 -11.972 1.00 0.00 C ATOM 402 C VAL A 51 -3.060 28.105 -10.761 1.00 0.00 C ATOM 403 O VAL A 51 -3.926 28.886 -10.371 1.00 0.00 O ATOM 404 CB VAL A 51 -3.722 25.764 -11.527 1.00 0.00 C ATOM 405 CG1 VAL A 51 -4.878 25.749 -10.519 1.00 0.00 C ATOM 406 CG2 VAL A 51 -4.175 24.922 -12.729 1.00 0.00 C ATOM 0 H VAL A 51 -1.734 26.314 -12.910 1.00 0.00 H new ATOM 0 HA VAL A 51 -4.229 27.638 -12.476 1.00 0.00 H new ATOM 0 HB VAL A 51 -2.820 25.354 -11.073 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -5.098 24.720 -10.233 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -4.596 26.319 -9.634 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -5.762 26.197 -10.973 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -4.421 23.914 -12.395 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -5.054 25.379 -13.183 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.371 24.874 -13.464 1.00 0.00 H new ATOM 416 N GLN A 52 -1.829 28.099 -10.227 1.00 0.00 N ATOM 417 CA GLN A 52 -1.435 28.895 -9.049 1.00 0.00 C ATOM 418 C GLN A 52 -1.708 30.399 -9.183 1.00 0.00 C ATOM 419 O GLN A 52 -2.114 31.029 -8.209 1.00 0.00 O ATOM 420 CB GLN A 52 0.048 28.673 -8.717 1.00 0.00 C ATOM 421 CG GLN A 52 0.288 27.284 -8.124 1.00 0.00 C ATOM 422 CD GLN A 52 1.752 27.065 -7.776 1.00 0.00 C ATOM 423 OE1 GLN A 52 2.601 26.923 -8.644 1.00 0.00 O ATOM 424 NE2 GLN A 52 2.103 27.008 -6.513 1.00 0.00 N ATOM 0 H GLN A 52 -1.068 27.535 -10.604 1.00 0.00 H new ATOM 0 HA GLN A 52 -2.067 28.536 -8.237 1.00 0.00 H new ATOM 0 HB2 GLN A 52 0.646 28.792 -9.621 1.00 0.00 H new ATOM 0 HB3 GLN A 52 0.382 29.434 -8.011 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -0.321 27.161 -7.228 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -0.034 26.524 -8.836 1.00 0.00 H new ATOM 0 HE21 GLN A 52 1.401 27.126 -5.783 1.00 0.00 H new ATOM 0 HE22 GLN A 52 3.078 26.846 -6.261 1.00 0.00 H new ATOM 433 N LYS A 53 -1.574 31.001 -10.376 1.00 0.00 N ATOM 434 CA LYS A 53 -1.940 32.419 -10.576 1.00 0.00 C ATOM 435 C LYS A 53 -3.405 32.695 -10.229 1.00 0.00 C ATOM 436 O LYS A 53 -3.725 33.712 -9.620 1.00 0.00 O ATOM 437 CB LYS A 53 -1.668 32.857 -12.011 1.00 0.00 C ATOM 438 CG LYS A 53 -0.169 32.959 -12.327 1.00 0.00 C ATOM 439 CD LYS A 53 0.050 34.062 -13.368 1.00 0.00 C ATOM 440 CE LYS A 53 0.126 35.447 -12.691 1.00 0.00 C ATOM 441 NZ LYS A 53 0.409 36.552 -13.645 1.00 0.00 N ATOM 0 H LYS A 53 -1.219 30.536 -11.211 1.00 0.00 H new ATOM 0 HA LYS A 53 -1.315 32.997 -9.895 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -2.132 32.148 -12.697 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -2.138 33.824 -12.186 1.00 0.00 H new ATOM 0 HG2 LYS A 53 0.392 33.182 -11.420 1.00 0.00 H new ATOM 0 HG3 LYS A 53 0.201 32.006 -12.705 1.00 0.00 H new ATOM 0 HD2 LYS A 53 0.971 33.871 -13.919 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -0.764 34.051 -14.093 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -0.817 35.648 -12.182 1.00 0.00 H new ATOM 0 HE3 LYS A 53 0.903 35.428 -11.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 0.447 37.454 -13.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 1.322 36.381 -14.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -0.344 36.594 -14.361 1.00 0.00 H new ATOM 455 N SER A 54 -4.294 31.787 -10.625 1.00 0.00 N ATOM 456 CA SER A 54 -5.731 31.812 -10.282 1.00 0.00 C ATOM 457 C SER A 54 -6.008 31.827 -8.770 1.00 0.00 C ATOM 458 O SER A 54 -7.010 32.400 -8.354 1.00 0.00 O ATOM 459 CB SER A 54 -6.457 30.596 -10.874 1.00 0.00 C ATOM 460 OG SER A 54 -7.838 30.862 -11.053 1.00 0.00 O ATOM 0 H SER A 54 -4.038 30.990 -11.208 1.00 0.00 H new ATOM 0 HA SER A 54 -6.103 32.744 -10.708 1.00 0.00 H new ATOM 0 HB2 SER A 54 -6.008 30.331 -11.831 1.00 0.00 H new ATOM 0 HB3 SER A 54 -6.332 29.737 -10.214 1.00 0.00 H new ATOM 0 HG SER A 54 -8.277 30.072 -11.433 1.00 0.00 H new ATOM 466 N ILE A 55 -5.141 31.204 -7.960 1.00 0.00 N ATOM 467 CA ILE A 55 -5.230 31.160 -6.488 1.00 0.00 C ATOM 468 C ILE A 55 -4.555 32.399 -5.874 1.00 0.00 C ATOM 469 O ILE A 55 -5.123 33.063 -5.011 1.00 0.00 O ATOM 470 CB ILE A 55 -4.575 29.857 -5.971 1.00 0.00 C ATOM 471 CG1 ILE A 55 -5.394 28.640 -6.452 1.00 0.00 C ATOM 472 CG2 ILE A 55 -4.480 29.835 -4.437 1.00 0.00 C ATOM 473 CD1 ILE A 55 -4.660 27.314 -6.262 1.00 0.00 C ATOM 0 H ILE A 55 -4.331 30.699 -8.320 1.00 0.00 H new ATOM 0 HA ILE A 55 -6.278 31.168 -6.187 1.00 0.00 H new ATOM 0 HB ILE A 55 -3.562 29.812 -6.371 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -6.339 28.607 -5.909 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -5.637 28.767 -7.507 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -4.014 28.904 -4.115 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -3.878 30.678 -4.098 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -5.480 29.908 -4.009 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -5.287 26.497 -6.619 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -3.728 27.330 -6.827 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -4.441 27.168 -5.204 1.00 0.00 H new ATOM 485 N SER A 56 -3.366 32.762 -6.361 1.00 0.00 N ATOM 486 CA SER A 56 -2.590 33.931 -5.921 1.00 0.00 C ATOM 487 C SER A 56 -3.385 35.237 -6.047 1.00 0.00 C ATOM 488 O SER A 56 -3.507 35.988 -5.079 1.00 0.00 O ATOM 489 CB SER A 56 -1.316 34.003 -6.761 1.00 0.00 C ATOM 490 OG SER A 56 -0.466 35.036 -6.312 1.00 0.00 O ATOM 0 H SER A 56 -2.898 32.234 -7.098 1.00 0.00 H new ATOM 0 HA SER A 56 -2.349 33.814 -4.864 1.00 0.00 H new ATOM 0 HB2 SER A 56 -0.791 33.049 -6.712 1.00 0.00 H new ATOM 0 HB3 SER A 56 -1.576 34.171 -7.806 1.00 0.00 H new ATOM 0 HG SER A 56 0.342 35.059 -6.866 1.00 0.00 H new ATOM 496 N GLN A 57 -4.043 35.441 -7.197 1.00 0.00 N ATOM 497 CA GLN A 57 -4.947 36.571 -7.476 1.00 0.00 C ATOM 498 C GLN A 57 -6.299 36.472 -6.723 1.00 0.00 C ATOM 499 O GLN A 57 -7.257 37.172 -7.060 1.00 0.00 O ATOM 500 CB GLN A 57 -5.143 36.695 -9.000 1.00 0.00 C ATOM 501 CG GLN A 57 -3.832 37.040 -9.747 1.00 0.00 C ATOM 502 CD GLN A 57 -3.919 36.801 -11.254 1.00 0.00 C ATOM 503 OE1 GLN A 57 -3.553 37.610 -12.088 1.00 0.00 O ATOM 504 NE2 GLN A 57 -4.343 35.632 -11.679 1.00 0.00 N ATOM 0 H GLN A 57 -3.959 34.802 -7.988 1.00 0.00 H new ATOM 0 HA GLN A 57 -4.480 37.480 -7.096 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -5.541 35.757 -9.388 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -5.886 37.466 -9.205 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -3.582 38.085 -9.565 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -3.019 36.441 -9.337 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -4.657 34.929 -11.010 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -4.358 35.427 -12.678 1.00 0.00 H new ATOM 513 N LYS A 58 -6.402 35.576 -5.731 1.00 0.00 N ATOM 514 CA LYS A 58 -7.543 35.399 -4.809 1.00 0.00 C ATOM 515 C LYS A 58 -7.120 35.234 -3.338 1.00 0.00 C ATOM 516 O LYS A 58 -7.968 35.355 -2.461 1.00 0.00 O ATOM 517 CB LYS A 58 -8.405 34.196 -5.255 1.00 0.00 C ATOM 518 CG LYS A 58 -9.109 34.408 -6.605 1.00 0.00 C ATOM 519 CD LYS A 58 -10.269 35.417 -6.525 1.00 0.00 C ATOM 520 CE LYS A 58 -10.630 35.948 -7.916 1.00 0.00 C ATOM 521 NZ LYS A 58 -9.723 37.054 -8.316 1.00 0.00 N ATOM 0 H LYS A 58 -5.650 34.915 -5.536 1.00 0.00 H new ATOM 0 HA LYS A 58 -8.129 36.316 -4.861 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -7.772 33.311 -5.320 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -9.156 33.995 -4.491 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -8.381 34.757 -7.338 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -9.490 33.452 -6.964 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -11.140 34.940 -6.076 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -9.990 36.247 -5.876 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -10.567 35.140 -8.645 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -11.662 36.300 -7.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -9.376 36.886 -9.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -10.241 37.956 -8.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -8.917 37.096 -7.661 1.00 0.00 H new ATOM 535 N LYS A 59 -5.826 34.999 -3.076 1.00 0.00 N ATOM 536 CA LYS A 59 -5.196 34.740 -1.768 1.00 0.00 C ATOM 537 C LYS A 59 -5.966 33.741 -0.886 1.00 0.00 C ATOM 538 O LYS A 59 -6.129 33.953 0.313 1.00 0.00 O ATOM 539 CB LYS A 59 -4.858 36.075 -1.071 1.00 0.00 C ATOM 540 CG LYS A 59 -3.680 35.957 -0.081 1.00 0.00 C ATOM 541 CD LYS A 59 -2.296 35.890 -0.756 1.00 0.00 C ATOM 542 CE LYS A 59 -1.860 37.224 -1.380 1.00 0.00 C ATOM 543 NZ LYS A 59 -1.545 38.240 -0.344 1.00 0.00 N ATOM 0 H LYS A 59 -5.138 34.983 -3.829 1.00 0.00 H new ATOM 0 HA LYS A 59 -4.255 34.220 -1.951 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -4.617 36.822 -1.827 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -5.739 36.434 -0.538 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -3.701 36.811 0.596 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -3.819 35.064 0.528 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -1.554 35.582 -0.019 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -2.314 35.123 -1.530 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -0.984 37.062 -2.009 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -2.653 37.599 -2.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -1.158 39.092 -0.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -2.412 38.488 0.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -0.844 37.853 0.319 1.00 0.00 H new ATOM 557 N LEU A 60 -6.465 32.667 -1.502 1.00 0.00 N ATOM 558 CA LEU A 60 -7.103 31.558 -0.791 1.00 0.00 C ATOM 559 C LEU A 60 -6.099 30.873 0.151 1.00 0.00 C ATOM 560 O LEU A 60 -4.899 30.835 -0.122 1.00 0.00 O ATOM 561 CB LEU A 60 -7.638 30.523 -1.798 1.00 0.00 C ATOM 562 CG LEU A 60 -8.966 30.840 -2.499 1.00 0.00 C ATOM 563 CD1 LEU A 60 -9.267 29.694 -3.468 1.00 0.00 C ATOM 564 CD2 LEU A 60 -10.116 30.960 -1.498 1.00 0.00 C ATOM 0 H LEU A 60 -6.437 32.542 -2.514 1.00 0.00 H new ATOM 0 HA LEU A 60 -7.929 31.959 -0.204 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -6.878 30.377 -2.566 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -7.751 29.573 -1.276 1.00 0.00 H new ATOM 0 HG LEU A 60 -8.875 31.794 -3.019 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -10.207 29.890 -3.983 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -8.462 29.615 -4.199 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -9.346 28.759 -2.913 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -11.040 31.185 -2.031 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -10.228 30.020 -0.958 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -9.901 31.761 -0.791 1.00 0.00 H new ATOM 576 N LYS A 61 -6.633 30.275 1.221 1.00 0.00 N ATOM 577 CA LYS A 61 -5.934 29.472 2.241 1.00 0.00 C ATOM 578 C LYS A 61 -5.535 28.078 1.715 1.00 0.00 C ATOM 579 O LYS A 61 -5.887 27.083 2.345 1.00 0.00 O ATOM 580 CB LYS A 61 -6.858 29.338 3.470 1.00 0.00 C ATOM 581 CG LYS A 61 -7.316 30.668 4.089 1.00 0.00 C ATOM 582 CD LYS A 61 -8.252 30.464 5.292 1.00 0.00 C ATOM 583 CE LYS A 61 -9.652 29.919 4.943 1.00 0.00 C ATOM 584 NZ LYS A 61 -9.680 28.436 4.824 1.00 0.00 N ATOM 0 H LYS A 61 -7.632 30.341 1.414 1.00 0.00 H new ATOM 0 HA LYS A 61 -5.008 29.979 2.510 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -7.740 28.767 3.181 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -6.339 28.759 4.234 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -6.442 31.238 4.405 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -7.827 31.261 3.331 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -7.775 29.778 5.992 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -8.368 31.417 5.809 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -10.360 30.231 5.711 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -9.985 30.361 4.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -10.626 28.085 5.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -9.460 28.162 3.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -8.974 28.023 5.466 1.00 0.00 H new ATOM 598 N LEU A 62 -4.928 28.008 0.527 1.00 0.00 N ATOM 599 CA LEU A 62 -4.578 26.765 -0.167 1.00 0.00 C ATOM 600 C LEU A 62 -3.056 26.610 -0.265 1.00 0.00 C ATOM 601 O LEU A 62 -2.397 27.415 -0.922 1.00 0.00 O ATOM 602 CB LEU A 62 -5.209 26.731 -1.574 1.00 0.00 C ATOM 603 CG LEU A 62 -6.722 26.497 -1.638 1.00 0.00 C ATOM 604 CD1 LEU A 62 -7.150 26.647 -3.100 1.00 0.00 C ATOM 605 CD2 LEU A 62 -7.128 25.098 -1.184 1.00 0.00 C ATOM 0 H LEU A 62 -4.658 28.842 0.005 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.975 25.931 0.412 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -4.988 27.676 -2.070 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -4.718 25.947 -2.150 1.00 0.00 H new ATOM 0 HG LEU A 62 -7.199 27.217 -0.973 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -8.225 26.486 -3.183 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -6.905 27.650 -3.450 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -6.625 25.912 -3.710 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -8.211 24.993 -1.252 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -6.651 24.355 -1.823 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -6.813 24.945 -0.152 1.00 0.00 H new ATOM 617 N ASP A 63 -2.533 25.532 0.313 1.00 0.00 N ATOM 618 CA ASP A 63 -1.103 25.225 0.416 1.00 0.00 C ATOM 619 C ASP A 63 -0.769 23.875 -0.241 1.00 0.00 C ATOM 620 O ASP A 63 -1.667 23.141 -0.657 1.00 0.00 O ATOM 621 CB ASP A 63 -0.681 25.318 1.890 1.00 0.00 C ATOM 622 CG ASP A 63 -0.321 26.762 2.235 1.00 0.00 C ATOM 623 OD1 ASP A 63 0.776 27.175 1.794 1.00 0.00 O ATOM 624 OD2 ASP A 63 -1.132 27.426 2.916 1.00 0.00 O ATOM 0 H ASP A 63 -3.117 24.815 0.742 1.00 0.00 H new ATOM 0 HA ASP A 63 -0.520 25.958 -0.141 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -1.491 24.972 2.532 1.00 0.00 H new ATOM 0 HB3 ASP A 63 0.173 24.666 2.075 1.00 0.00 H new ATOM 629 N ILE A 64 0.521 23.523 -0.359 1.00 0.00 N ATOM 630 CA ILE A 64 0.975 22.332 -1.111 1.00 0.00 C ATOM 631 C ILE A 64 1.795 21.351 -0.272 1.00 0.00 C ATOM 632 O ILE A 64 2.872 21.666 0.237 1.00 0.00 O ATOM 633 CB ILE A 64 1.761 22.764 -2.375 1.00 0.00 C ATOM 634 CG1 ILE A 64 0.940 23.689 -3.303 1.00 0.00 C ATOM 635 CG2 ILE A 64 2.270 21.551 -3.182 1.00 0.00 C ATOM 636 CD1 ILE A 64 -0.282 23.020 -3.942 1.00 0.00 C ATOM 0 H ILE A 64 1.283 24.054 0.063 1.00 0.00 H new ATOM 0 HA ILE A 64 0.075 21.792 -1.406 1.00 0.00 H new ATOM 0 HB ILE A 64 2.617 23.328 -2.003 1.00 0.00 H new ATOM 0 HG12 ILE A 64 0.607 24.555 -2.731 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.591 24.061 -4.094 1.00 0.00 H new ATOM 0 HG21 ILE A 64 2.815 21.900 -4.059 1.00 0.00 H new ATOM 0 HG22 ILE A 64 2.933 20.951 -2.558 1.00 0.00 H new ATOM 0 HG23 ILE A 64 1.422 20.944 -3.500 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -0.800 23.739 -4.577 1.00 0.00 H new ATOM 0 HD12 ILE A 64 0.041 22.171 -4.544 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -0.958 22.673 -3.160 1.00 0.00 H new ATOM 648 N ASP A 65 1.304 20.111 -0.204 1.00 0.00 N ATOM 649 CA ASP A 65 1.990 19.002 0.454 1.00 0.00 C ATOM 650 C ASP A 65 3.262 18.540 -0.296 1.00 0.00 C ATOM 651 O ASP A 65 3.233 17.996 -1.404 1.00 0.00 O ATOM 652 CB ASP A 65 1.005 17.848 0.666 1.00 0.00 C ATOM 653 CG ASP A 65 1.718 16.598 1.171 1.00 0.00 C ATOM 654 OD1 ASP A 65 2.654 16.726 1.991 1.00 0.00 O ATOM 655 OD2 ASP A 65 1.346 15.496 0.712 1.00 0.00 O ATOM 0 H ASP A 65 0.406 19.848 -0.611 1.00 0.00 H new ATOM 0 HA ASP A 65 2.343 19.358 1.422 1.00 0.00 H new ATOM 0 HB2 ASP A 65 0.239 18.147 1.382 1.00 0.00 H new ATOM 0 HB3 ASP A 65 0.495 17.625 -0.271 1.00 0.00 H new ATOM 660 N LYS A 66 4.417 18.723 0.352 1.00 0.00 N ATOM 661 CA LYS A 66 5.729 18.259 -0.126 1.00 0.00 C ATOM 662 C LYS A 66 6.016 16.768 0.106 1.00 0.00 C ATOM 663 O LYS A 66 6.967 16.279 -0.499 1.00 0.00 O ATOM 664 CB LYS A 66 6.821 19.125 0.532 1.00 0.00 C ATOM 665 CG LYS A 66 7.042 20.458 -0.207 1.00 0.00 C ATOM 666 CD LYS A 66 7.869 20.315 -1.500 1.00 0.00 C ATOM 667 CE LYS A 66 9.330 19.892 -1.259 1.00 0.00 C ATOM 668 NZ LYS A 66 10.100 20.925 -0.518 1.00 0.00 N ATOM 0 H LYS A 66 4.470 19.210 1.247 1.00 0.00 H new ATOM 0 HA LYS A 66 5.725 18.371 -1.210 1.00 0.00 H new ATOM 0 HB2 LYS A 66 6.544 19.328 1.567 1.00 0.00 H new ATOM 0 HB3 LYS A 66 7.757 18.567 0.556 1.00 0.00 H new ATOM 0 HG2 LYS A 66 6.073 20.894 -0.451 1.00 0.00 H new ATOM 0 HG3 LYS A 66 7.546 21.156 0.462 1.00 0.00 H new ATOM 0 HD2 LYS A 66 7.390 19.581 -2.147 1.00 0.00 H new ATOM 0 HD3 LYS A 66 7.859 21.265 -2.034 1.00 0.00 H new ATOM 0 HE2 LYS A 66 9.348 18.957 -0.699 1.00 0.00 H new ATOM 0 HE3 LYS A 66 9.813 19.699 -2.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 11.100 20.643 -0.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 10.022 21.837 -1.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 9.718 21.019 0.445 1.00 0.00 H new ATOM 682 N SER A 67 5.212 16.063 0.908 1.00 0.00 N ATOM 683 CA SER A 67 5.434 14.661 1.313 1.00 0.00 C ATOM 684 C SER A 67 5.348 13.669 0.154 1.00 0.00 C ATOM 685 O SER A 67 6.054 12.666 0.148 1.00 0.00 O ATOM 686 CB SER A 67 4.422 14.234 2.385 1.00 0.00 C ATOM 687 OG SER A 67 4.235 15.238 3.354 1.00 0.00 O ATOM 0 H SER A 67 4.362 16.459 1.308 1.00 0.00 H new ATOM 0 HA SER A 67 6.451 14.635 1.706 1.00 0.00 H new ATOM 0 HB2 SER A 67 3.468 14.002 1.913 1.00 0.00 H new ATOM 0 HB3 SER A 67 4.768 13.321 2.869 1.00 0.00 H new ATOM 0 HG SER A 67 3.561 15.876 3.038 1.00 0.00 H new ATOM 693 N VAL A 68 4.510 13.970 -0.847 1.00 0.00 N ATOM 694 CA VAL A 68 4.364 13.161 -2.075 1.00 0.00 C ATOM 695 C VAL A 68 4.902 13.904 -3.308 1.00 0.00 C ATOM 696 O VAL A 68 5.224 13.274 -4.313 1.00 0.00 O ATOM 697 CB VAL A 68 2.895 12.709 -2.276 1.00 0.00 C ATOM 698 CG1 VAL A 68 2.754 11.639 -3.370 1.00 0.00 C ATOM 699 CG2 VAL A 68 2.306 12.100 -0.994 1.00 0.00 C ATOM 0 H VAL A 68 3.905 14.791 -0.831 1.00 0.00 H new ATOM 0 HA VAL A 68 4.970 12.263 -1.952 1.00 0.00 H new ATOM 0 HB VAL A 68 2.360 13.615 -2.561 1.00 0.00 H new ATOM 0 HG11 VAL A 68 1.706 11.357 -3.471 1.00 0.00 H new ATOM 0 HG12 VAL A 68 3.115 12.038 -4.318 1.00 0.00 H new ATOM 0 HG13 VAL A 68 3.341 10.762 -3.099 1.00 0.00 H new ATOM 0 HG21 VAL A 68 1.275 11.796 -1.176 1.00 0.00 H new ATOM 0 HG22 VAL A 68 2.895 11.231 -0.700 1.00 0.00 H new ATOM 0 HG23 VAL A 68 2.330 12.841 -0.195 1.00 0.00 H new ATOM 709 N ARG A 69 5.035 15.241 -3.248 1.00 0.00 N ATOM 710 CA ARG A 69 5.570 16.149 -4.292 1.00 0.00 C ATOM 711 C ARG A 69 4.878 16.085 -5.676 1.00 0.00 C ATOM 712 O ARG A 69 5.172 16.925 -6.529 1.00 0.00 O ATOM 713 CB ARG A 69 7.108 15.953 -4.342 1.00 0.00 C ATOM 714 CG ARG A 69 7.973 17.171 -4.735 1.00 0.00 C ATOM 715 CD ARG A 69 8.588 17.114 -6.146 1.00 0.00 C ATOM 716 NE ARG A 69 7.732 17.776 -7.145 1.00 0.00 N ATOM 717 CZ ARG A 69 7.724 17.602 -8.453 1.00 0.00 C ATOM 718 NH1 ARG A 69 8.557 16.803 -9.063 1.00 0.00 N ATOM 719 NH2 ARG A 69 6.844 18.237 -9.176 1.00 0.00 N ATOM 0 H ARG A 69 4.754 15.756 -2.414 1.00 0.00 H new ATOM 0 HA ARG A 69 5.329 17.171 -4.001 1.00 0.00 H new ATOM 0 HB2 ARG A 69 7.435 15.612 -3.360 1.00 0.00 H new ATOM 0 HB3 ARG A 69 7.321 15.149 -5.046 1.00 0.00 H new ATOM 0 HG2 ARG A 69 7.361 18.070 -4.659 1.00 0.00 H new ATOM 0 HG3 ARG A 69 8.780 17.272 -4.009 1.00 0.00 H new ATOM 0 HD2 ARG A 69 9.568 17.591 -6.134 1.00 0.00 H new ATOM 0 HD3 ARG A 69 8.743 16.074 -6.433 1.00 0.00 H new ATOM 0 HE ARG A 69 7.062 18.453 -6.780 1.00 0.00 H new ATOM 0 HH11 ARG A 69 9.250 16.282 -8.526 1.00 0.00 H new ATOM 0 HH12 ARG A 69 8.514 16.699 -10.077 1.00 0.00 H new ATOM 0 HH21 ARG A 69 6.171 18.860 -8.730 1.00 0.00 H new ATOM 0 HH22 ARG A 69 6.828 18.110 -10.188 1.00 0.00 H new ATOM 733 N HIS A 70 3.964 15.134 -5.911 1.00 0.00 N ATOM 734 CA HIS A 70 3.150 14.996 -7.130 1.00 0.00 C ATOM 735 C HIS A 70 2.271 16.241 -7.376 1.00 0.00 C ATOM 736 O HIS A 70 2.002 17.001 -6.451 1.00 0.00 O ATOM 737 CB HIS A 70 2.385 13.642 -7.100 1.00 0.00 C ATOM 738 CG HIS A 70 1.235 13.453 -6.119 1.00 0.00 C ATOM 739 ND1 HIS A 70 0.420 12.329 -6.015 1.00 0.00 N ATOM 740 CD2 HIS A 70 0.790 14.348 -5.185 1.00 0.00 C ATOM 741 CE1 HIS A 70 -0.517 12.577 -5.076 1.00 0.00 C ATOM 742 NE2 HIS A 70 -0.302 13.790 -4.546 1.00 0.00 N ATOM 0 H HIS A 70 3.761 14.406 -5.226 1.00 0.00 H new ATOM 0 HA HIS A 70 3.797 14.958 -8.006 1.00 0.00 H new ATOM 0 HB2 HIS A 70 1.992 13.466 -8.102 1.00 0.00 H new ATOM 0 HB3 HIS A 70 3.116 12.858 -6.902 1.00 0.00 H new ATOM 0 HD2 HIS A 70 1.216 15.319 -4.982 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -1.314 11.905 -4.796 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -0.848 14.225 -3.802 1.00 0.00 H new ATOM 751 N LEU A 71 1.791 16.442 -8.607 1.00 0.00 N ATOM 752 CA LEU A 71 0.917 17.572 -8.970 1.00 0.00 C ATOM 753 C LEU A 71 -0.520 17.096 -9.208 1.00 0.00 C ATOM 754 O LEU A 71 -1.055 17.296 -10.290 1.00 0.00 O ATOM 755 CB LEU A 71 1.463 18.349 -10.188 1.00 0.00 C ATOM 756 CG LEU A 71 2.887 18.914 -10.049 1.00 0.00 C ATOM 757 CD1 LEU A 71 3.253 19.706 -11.306 1.00 0.00 C ATOM 758 CD2 LEU A 71 3.045 19.853 -8.849 1.00 0.00 C ATOM 0 H LEU A 71 1.998 15.822 -9.390 1.00 0.00 H new ATOM 0 HA LEU A 71 0.906 18.265 -8.128 1.00 0.00 H new ATOM 0 HB2 LEU A 71 1.439 17.688 -11.055 1.00 0.00 H new ATOM 0 HB3 LEU A 71 0.785 19.176 -10.399 1.00 0.00 H new ATOM 0 HG LEU A 71 3.543 18.056 -9.904 1.00 0.00 H new ATOM 0 HD11 LEU A 71 4.262 20.105 -11.204 1.00 0.00 H new ATOM 0 HD12 LEU A 71 3.208 19.050 -12.175 1.00 0.00 H new ATOM 0 HD13 LEU A 71 2.549 20.528 -11.436 1.00 0.00 H new ATOM 0 HD21 LEU A 71 4.071 20.218 -8.805 1.00 0.00 H new ATOM 0 HD22 LEU A 71 2.364 20.697 -8.955 1.00 0.00 H new ATOM 0 HD23 LEU A 71 2.813 19.313 -7.931 1.00 0.00 H new ATOM 770 N TYR A 72 -1.133 16.447 -8.223 1.00 0.00 N ATOM 771 CA TYR A 72 -2.501 15.925 -8.319 1.00 0.00 C ATOM 772 C TYR A 72 -3.424 16.620 -7.321 1.00 0.00 C ATOM 773 O TYR A 72 -2.977 17.011 -6.243 1.00 0.00 O ATOM 774 CB TYR A 72 -2.492 14.409 -8.106 1.00 0.00 C ATOM 775 CG TYR A 72 -2.103 13.659 -9.362 1.00 0.00 C ATOM 776 CD1 TYR A 72 -3.003 13.607 -10.441 1.00 0.00 C ATOM 777 CD2 TYR A 72 -0.841 13.050 -9.473 1.00 0.00 C ATOM 778 CE1 TYR A 72 -2.642 12.952 -11.631 1.00 0.00 C ATOM 779 CE2 TYR A 72 -0.484 12.364 -10.648 1.00 0.00 C ATOM 780 CZ TYR A 72 -1.392 12.308 -11.728 1.00 0.00 C ATOM 781 OH TYR A 72 -1.085 11.589 -12.837 1.00 0.00 O ATOM 0 H TYR A 72 -0.692 16.264 -7.322 1.00 0.00 H new ATOM 0 HA TYR A 72 -2.889 16.133 -9.316 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -1.795 14.160 -7.305 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -3.480 14.083 -7.781 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -3.974 14.072 -10.355 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -0.142 13.109 -8.652 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -3.322 12.942 -12.470 1.00 0.00 H new ATOM 0 HE2 TYR A 72 0.480 11.883 -10.724 1.00 0.00 H new ATOM 0 HH TYR A 72 -0.186 11.211 -12.743 1.00 0.00 H new ATOM 791 N ILE A 73 -4.701 16.751 -7.678 1.00 0.00 N ATOM 792 CA ILE A 73 -5.749 17.286 -6.806 1.00 0.00 C ATOM 793 C ILE A 73 -7.018 16.440 -6.961 1.00 0.00 C ATOM 794 O ILE A 73 -7.128 15.633 -7.888 1.00 0.00 O ATOM 795 CB ILE A 73 -6.029 18.796 -7.039 1.00 0.00 C ATOM 796 CG1 ILE A 73 -6.792 19.071 -8.350 1.00 0.00 C ATOM 797 CG2 ILE A 73 -4.739 19.624 -6.994 1.00 0.00 C ATOM 798 CD1 ILE A 73 -7.144 20.543 -8.601 1.00 0.00 C ATOM 0 H ILE A 73 -5.044 16.483 -8.600 1.00 0.00 H new ATOM 0 HA ILE A 73 -5.394 17.219 -5.778 1.00 0.00 H new ATOM 0 HB ILE A 73 -6.674 19.107 -6.217 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -6.191 18.710 -9.185 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -7.713 18.489 -8.345 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -4.975 20.675 -7.161 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -4.267 19.509 -6.018 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -4.057 19.277 -7.770 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -7.679 20.633 -9.547 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -7.775 20.909 -7.791 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -6.229 21.134 -8.644 1.00 0.00 H new ATOM 810 N CYS A 74 -7.984 16.648 -6.078 1.00 0.00 N ATOM 811 CA CYS A 74 -9.303 16.034 -6.145 1.00 0.00 C ATOM 812 C CYS A 74 -10.322 16.839 -6.976 1.00 0.00 C ATOM 813 O CYS A 74 -10.087 17.979 -7.395 1.00 0.00 O ATOM 814 CB CYS A 74 -9.788 15.824 -4.709 1.00 0.00 C ATOM 815 SG CYS A 74 -10.049 17.395 -3.833 1.00 0.00 S ATOM 0 H CYS A 74 -7.869 17.265 -5.274 1.00 0.00 H new ATOM 0 HA CYS A 74 -9.218 15.083 -6.670 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -10.720 15.258 -4.721 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -9.058 15.224 -4.165 1.00 0.00 H new ATOM 0 HG CYS A 74 -9.491 17.336 -2.660 1.00 0.00 H new ATOM 820 N ASP A 75 -11.492 16.236 -7.198 1.00 0.00 N ATOM 821 CA ASP A 75 -12.649 16.857 -7.856 1.00 0.00 C ATOM 822 C ASP A 75 -13.124 18.125 -7.128 1.00 0.00 C ATOM 823 O ASP A 75 -13.448 19.142 -7.747 1.00 0.00 O ATOM 824 CB ASP A 75 -13.806 15.832 -7.891 1.00 0.00 C ATOM 825 CG ASP A 75 -14.343 15.500 -6.481 1.00 0.00 C ATOM 826 OD1 ASP A 75 -13.550 15.039 -5.627 1.00 0.00 O ATOM 827 OD2 ASP A 75 -15.523 15.795 -6.182 1.00 0.00 O ATOM 0 H ASP A 75 -11.668 15.272 -6.917 1.00 0.00 H new ATOM 0 HA ASP A 75 -12.347 17.149 -8.862 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -14.618 16.226 -8.502 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -13.461 14.916 -8.370 1.00 0.00 H new ATOM 832 N PHE A 76 -13.136 18.069 -5.798 1.00 0.00 N ATOM 833 CA PHE A 76 -13.654 19.113 -4.926 1.00 0.00 C ATOM 834 C PHE A 76 -12.800 20.375 -5.054 1.00 0.00 C ATOM 835 O PHE A 76 -13.310 21.467 -5.319 1.00 0.00 O ATOM 836 CB PHE A 76 -13.665 18.538 -3.504 1.00 0.00 C ATOM 837 CG PHE A 76 -14.648 19.148 -2.527 1.00 0.00 C ATOM 838 CD1 PHE A 76 -16.031 19.013 -2.751 1.00 0.00 C ATOM 839 CD2 PHE A 76 -14.189 19.762 -1.346 1.00 0.00 C ATOM 840 CE1 PHE A 76 -16.952 19.496 -1.802 1.00 0.00 C ATOM 841 CE2 PHE A 76 -15.109 20.244 -0.398 1.00 0.00 C ATOM 842 CZ PHE A 76 -16.490 20.112 -0.626 1.00 0.00 C ATOM 0 H PHE A 76 -12.772 17.267 -5.283 1.00 0.00 H new ATOM 0 HA PHE A 76 -14.666 19.411 -5.199 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -13.872 17.470 -3.571 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -12.663 18.643 -3.088 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -16.387 18.538 -3.653 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -13.129 19.863 -1.168 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -18.013 19.393 -1.977 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -14.754 20.716 0.506 1.00 0.00 H new ATOM 0 HZ PHE A 76 -17.196 20.484 0.102 1.00 0.00 H new ATOM 852 N HIS A 77 -11.475 20.210 -4.970 1.00 0.00 N ATOM 853 CA HIS A 77 -10.541 21.313 -5.168 1.00 0.00 C ATOM 854 C HIS A 77 -10.500 21.815 -6.613 1.00 0.00 C ATOM 855 O HIS A 77 -10.367 23.024 -6.808 1.00 0.00 O ATOM 856 CB HIS A 77 -9.161 20.958 -4.606 1.00 0.00 C ATOM 857 CG HIS A 77 -9.052 21.247 -3.110 1.00 0.00 C ATOM 858 ND1 HIS A 77 -8.639 20.353 -2.099 1.00 0.00 N ATOM 859 CD2 HIS A 77 -9.409 22.423 -2.521 1.00 0.00 C ATOM 860 CE1 HIS A 77 -8.768 21.034 -0.933 1.00 0.00 C ATOM 861 NE2 HIS A 77 -9.241 22.265 -1.170 1.00 0.00 N ATOM 0 H HIS A 77 -11.028 19.316 -4.765 1.00 0.00 H new ATOM 0 HA HIS A 77 -10.912 22.165 -4.598 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -8.959 19.902 -4.785 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -8.397 21.524 -5.140 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -9.759 23.312 -3.024 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -8.525 20.641 0.043 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -9.443 22.970 -0.461 1.00 0.00 H new ATOM 869 N LYS A 78 -10.686 20.951 -7.623 1.00 0.00 N ATOM 870 CA LYS A 78 -10.809 21.402 -9.025 1.00 0.00 C ATOM 871 C LYS A 78 -11.931 22.445 -9.140 1.00 0.00 C ATOM 872 O LYS A 78 -11.707 23.537 -9.666 1.00 0.00 O ATOM 873 CB LYS A 78 -11.052 20.183 -9.942 1.00 0.00 C ATOM 874 CG LYS A 78 -11.410 20.546 -11.397 1.00 0.00 C ATOM 875 CD LYS A 78 -11.811 19.317 -12.227 1.00 0.00 C ATOM 876 CE LYS A 78 -10.611 18.484 -12.672 1.00 0.00 C ATOM 877 NZ LYS A 78 -10.366 18.577 -14.127 1.00 0.00 N ATOM 0 H LYS A 78 -10.755 19.941 -7.500 1.00 0.00 H new ATOM 0 HA LYS A 78 -9.884 21.880 -9.347 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -10.157 19.561 -9.945 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -11.857 19.581 -9.521 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -12.230 21.264 -11.398 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -10.557 21.035 -11.867 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -12.483 18.692 -11.640 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -12.366 19.644 -13.106 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -9.723 18.817 -12.135 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -10.776 17.441 -12.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -9.344 18.528 -14.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -10.843 17.789 -14.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -10.739 19.479 -14.485 1.00 0.00 H new ATOM 891 N ASN A 79 -13.108 22.122 -8.599 1.00 0.00 N ATOM 892 CA ASN A 79 -14.271 23.010 -8.612 1.00 0.00 C ATOM 893 C ASN A 79 -14.056 24.268 -7.751 1.00 0.00 C ATOM 894 O ASN A 79 -14.415 25.364 -8.173 1.00 0.00 O ATOM 895 CB ASN A 79 -15.504 22.214 -8.155 1.00 0.00 C ATOM 896 CG ASN A 79 -16.764 23.065 -8.158 1.00 0.00 C ATOM 897 OD1 ASN A 79 -17.169 23.626 -9.158 1.00 0.00 O ATOM 898 ND2 ASN A 79 -17.412 23.213 -7.028 1.00 0.00 N ATOM 0 H ASN A 79 -13.281 21.230 -8.136 1.00 0.00 H new ATOM 0 HA ASN A 79 -14.426 23.371 -9.629 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -15.645 21.355 -8.811 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -15.332 21.824 -7.152 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -18.249 23.795 -6.992 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -17.079 22.746 -6.184 1.00 0.00 H new ATOM 905 N PHE A 80 -13.435 24.153 -6.571 1.00 0.00 N ATOM 906 CA PHE A 80 -13.165 25.299 -5.690 1.00 0.00 C ATOM 907 C PHE A 80 -12.356 26.403 -6.394 1.00 0.00 C ATOM 908 O PHE A 80 -12.757 27.570 -6.403 1.00 0.00 O ATOM 909 CB PHE A 80 -12.454 24.801 -4.424 1.00 0.00 C ATOM 910 CG PHE A 80 -12.302 25.829 -3.316 1.00 0.00 C ATOM 911 CD1 PHE A 80 -13.446 26.449 -2.771 1.00 0.00 C ATOM 912 CD2 PHE A 80 -11.035 26.102 -2.764 1.00 0.00 C ATOM 913 CE1 PHE A 80 -13.324 27.332 -1.684 1.00 0.00 C ATOM 914 CE2 PHE A 80 -10.920 26.967 -1.662 1.00 0.00 C ATOM 915 CZ PHE A 80 -12.062 27.577 -1.120 1.00 0.00 C ATOM 0 H PHE A 80 -13.105 23.263 -6.198 1.00 0.00 H new ATOM 0 HA PHE A 80 -14.116 25.756 -5.416 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -13.005 23.946 -4.031 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -11.463 24.442 -4.702 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -14.420 26.244 -3.191 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -10.152 25.647 -3.188 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -14.200 27.821 -1.283 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -9.949 27.163 -1.231 1.00 0.00 H new ATOM 0 HZ PHE A 80 -11.970 28.235 -0.269 1.00 0.00 H new ATOM 925 N ILE A 81 -11.271 26.026 -7.080 1.00 0.00 N ATOM 926 CA ILE A 81 -10.431 26.964 -7.845 1.00 0.00 C ATOM 927 C ILE A 81 -11.182 27.536 -9.068 1.00 0.00 C ATOM 928 O ILE A 81 -11.020 28.708 -9.417 1.00 0.00 O ATOM 929 CB ILE A 81 -9.108 26.284 -8.267 1.00 0.00 C ATOM 930 CG1 ILE A 81 -8.335 25.743 -7.037 1.00 0.00 C ATOM 931 CG2 ILE A 81 -8.227 27.299 -9.028 1.00 0.00 C ATOM 932 CD1 ILE A 81 -7.224 24.753 -7.408 1.00 0.00 C ATOM 0 H ILE A 81 -10.947 25.060 -7.122 1.00 0.00 H new ATOM 0 HA ILE A 81 -10.192 27.806 -7.195 1.00 0.00 H new ATOM 0 HB ILE A 81 -9.349 25.440 -8.914 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -7.899 26.581 -6.493 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -9.037 25.255 -6.361 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -7.294 26.820 -9.326 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -8.756 27.646 -9.916 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -8.008 28.148 -8.381 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -6.722 24.413 -6.502 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -7.657 23.897 -7.926 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -6.502 25.244 -8.060 1.00 0.00 H new ATOM 944 N GLN A 82 -12.022 26.727 -9.724 1.00 0.00 N ATOM 945 CA GLN A 82 -12.884 27.169 -10.833 1.00 0.00 C ATOM 946 C GLN A 82 -13.979 28.156 -10.384 1.00 0.00 C ATOM 947 O GLN A 82 -14.265 29.121 -11.096 1.00 0.00 O ATOM 948 CB GLN A 82 -13.493 25.945 -11.546 1.00 0.00 C ATOM 949 CG GLN A 82 -12.424 25.181 -12.353 1.00 0.00 C ATOM 950 CD GLN A 82 -12.913 23.849 -12.929 1.00 0.00 C ATOM 951 OE1 GLN A 82 -13.721 23.125 -12.382 1.00 0.00 O ATOM 952 NE2 GLN A 82 -12.475 23.467 -14.110 1.00 0.00 N ATOM 0 H GLN A 82 -12.125 25.737 -9.500 1.00 0.00 H new ATOM 0 HA GLN A 82 -12.256 27.717 -11.536 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -13.942 25.278 -10.810 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -14.292 26.269 -12.212 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -12.079 25.814 -13.171 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -11.564 24.993 -11.711 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -11.796 24.039 -14.612 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -12.815 22.599 -14.524 1.00 0.00 H new