USER MOD reduce.3.24.130724 H: found=0, std=0, add=600, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 601 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 70 LYS NZ :NH3+ -153:sc= 0 (180deg=-0.0817) USER MOD Set 1.2: A 71 GLN : amide:sc= -0.188 X(o=-0.19,f=-0.19) USER MOD Set 2.1: A 64 GLN : amide:sc= -1.08 K(o=-0.86,f=-2.9!) USER MOD Set 2.2: A 67 SER OG : rot -35:sc= 0.224 USER MOD Single : A 13 ASN : amide:sc= -0.0186 K(o=-0.019,f=-2.7!) USER MOD Single : A 16 HIS : no HD1:sc= -3.98! C(o=-4!,f=-5.3!) USER MOD Single : A 17 GLN : amide:sc= -0.0684 K(o=-0.068,f=-1.1) USER MOD Single : A 18 GLN : amide:sc= -0.0722 X(o=-0.072,f=-0.24) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 CYS SG : rot 68:sc= 0.551 USER MOD Single : A 38 HIS : no HD1:sc= -0.0589 X(o=-0.059,f=-0.25) USER MOD Single : A 40 LYS NZ :NH3+ 166:sc= -0.0442 (180deg=-0.249) USER MOD Single : A 42 THR OG1 : rot -77:sc= 0.806 USER MOD Single : A 43 THR OG1 : rot 84:sc= 1.23 USER MOD Single : A 44 TYR OH : rot 70:sc= -0.148 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 49 MET CE :methyl 142:sc= -4.94! (180deg=-7.87!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 160:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= -0.0436 K(o=-0.044,f=-1.4) USER MOD Single : A 58 HIS : no HD1:sc= -3.31! C(o=-3.3!,f=-4.2!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 68 HIS :FLIP no HE2:sc= -3.5 F(o=-5.1!,f=-3.5) USER MOD Single : A 69 MET CE :methyl -157:sc= -2.65! (180deg=-3.99!) USER MOD Single : A 76 GLN : amide:sc= -0.459 X(o=-0.46,f=0) USER MOD Single : A 80 LYS NZ :NH3+ 138:sc= -0.695 (180deg=-1.86!) USER MOD ----------------------------------------------------------------- ATOM 98 N GLY A 10 -5.713 18.758 0.272 1.00 0.00 N ATOM 99 CA GLY A 10 -6.046 18.326 -1.073 1.00 0.00 C ATOM 100 C GLY A 10 -5.359 17.029 -1.452 1.00 0.00 C ATOM 101 O GLY A 10 -5.969 15.960 -1.467 1.00 0.00 O ATOM 0 HA2 GLY A 10 -7.126 18.199 -1.154 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -5.763 19.104 -1.782 1.00 0.00 H new ATOM 105 N PRO A 11 -4.058 17.114 -1.768 1.00 0.00 N ATOM 106 CA PRO A 11 -3.260 15.947 -2.156 1.00 0.00 C ATOM 107 C PRO A 11 -3.014 14.999 -0.987 1.00 0.00 C ATOM 108 O PRO A 11 -2.544 13.875 -1.174 1.00 0.00 O ATOM 109 CB PRO A 11 -1.941 16.562 -2.631 1.00 0.00 C ATOM 110 CG PRO A 11 -1.852 17.867 -1.918 1.00 0.00 C ATOM 111 CD PRO A 11 -3.267 18.356 -1.771 1.00 0.00 C ATOM 0 HA PRO A 11 -3.762 15.343 -2.912 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -1.095 15.920 -2.388 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -1.936 16.701 -3.712 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -1.377 17.748 -0.944 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -1.249 18.579 -2.482 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -3.403 18.921 -0.849 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -3.553 19.013 -2.593 1.00 0.00 H new ATOM 119 N LEU A 12 -3.336 15.456 0.218 1.00 0.00 N ATOM 120 CA LEU A 12 -3.151 14.647 1.418 1.00 0.00 C ATOM 121 C LEU A 12 -4.238 13.583 1.530 1.00 0.00 C ATOM 122 O LEU A 12 -3.972 12.451 1.931 1.00 0.00 O ATOM 123 CB LEU A 12 -3.160 15.537 2.662 1.00 0.00 C ATOM 124 CG LEU A 12 -1.830 16.197 3.026 1.00 0.00 C ATOM 125 CD1 LEU A 12 -2.021 17.198 4.155 1.00 0.00 C ATOM 126 CD2 LEU A 12 -0.800 15.145 3.412 1.00 0.00 C ATOM 0 H LEU A 12 -3.726 16.382 0.390 1.00 0.00 H new ATOM 0 HA LEU A 12 -2.186 14.146 1.345 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.904 16.321 2.518 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.489 14.937 3.511 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.462 16.733 2.151 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -1.063 17.657 4.400 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.724 17.970 3.842 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -2.413 16.685 5.033 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.140 15.633 3.668 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -1.161 14.580 4.271 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.640 14.467 2.573 1.00 0.00 H new ATOM 138 N ASN A 13 -5.462 13.956 1.172 1.00 0.00 N ATOM 139 CA ASN A 13 -6.590 13.033 1.231 1.00 0.00 C ATOM 140 C ASN A 13 -6.618 12.129 0.002 1.00 0.00 C ATOM 141 O ASN A 13 -6.990 10.958 0.087 1.00 0.00 O ATOM 142 CB ASN A 13 -7.905 13.808 1.339 1.00 0.00 C ATOM 143 CG ASN A 13 -9.063 12.924 1.761 1.00 0.00 C ATOM 144 OD1 ASN A 13 -8.895 11.725 1.984 1.00 0.00 O ATOM 145 ND2 ASN A 13 -10.248 13.515 1.871 1.00 0.00 N ATOM 0 H ASN A 13 -5.698 14.890 0.838 1.00 0.00 H new ATOM 0 HA ASN A 13 -6.471 12.409 2.116 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -7.788 14.618 2.059 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -8.133 14.267 0.377 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -11.065 12.972 2.150 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -10.341 14.512 1.676 1.00 0.00 H new ATOM 152 N LEU A 14 -6.223 12.681 -1.140 1.00 0.00 N ATOM 153 CA LEU A 14 -6.202 11.925 -2.388 1.00 0.00 C ATOM 154 C LEU A 14 -5.412 10.630 -2.227 1.00 0.00 C ATOM 155 O LEU A 14 -5.828 9.575 -2.703 1.00 0.00 O ATOM 156 CB LEU A 14 -5.596 12.770 -3.509 1.00 0.00 C ATOM 157 CG LEU A 14 -6.576 13.632 -4.305 1.00 0.00 C ATOM 158 CD1 LEU A 14 -5.826 14.627 -5.177 1.00 0.00 C ATOM 159 CD2 LEU A 14 -7.487 12.758 -5.154 1.00 0.00 C ATOM 0 H LEU A 14 -5.913 13.649 -1.228 1.00 0.00 H new ATOM 0 HA LEU A 14 -7.230 11.672 -2.648 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.838 13.423 -3.076 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -5.083 12.103 -4.203 1.00 0.00 H new ATOM 0 HG LEU A 14 -7.193 14.190 -3.601 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -6.540 15.232 -5.736 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -5.216 15.275 -4.548 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -5.183 14.088 -5.873 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -8.178 13.388 -5.714 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -6.885 12.173 -5.849 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -8.052 12.086 -4.508 1.00 0.00 H new ATOM 171 N ALA A 15 -4.272 10.719 -1.551 1.00 0.00 N ATOM 172 CA ALA A 15 -3.426 9.554 -1.323 1.00 0.00 C ATOM 173 C ALA A 15 -4.058 8.605 -0.311 1.00 0.00 C ATOM 174 O ALA A 15 -3.762 7.410 -0.296 1.00 0.00 O ATOM 175 CB ALA A 15 -2.046 9.988 -0.852 1.00 0.00 C ATOM 0 H ALA A 15 -3.913 11.586 -1.151 1.00 0.00 H new ATOM 0 HA ALA A 15 -3.324 9.020 -2.268 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -1.425 9.108 -0.686 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -1.584 10.620 -1.611 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -2.139 10.548 0.079 1.00 0.00 H new ATOM 181 N HIS A 16 -4.930 9.145 0.535 1.00 0.00 N ATOM 182 CA HIS A 16 -5.605 8.346 1.551 1.00 0.00 C ATOM 183 C HIS A 16 -6.584 7.366 0.911 1.00 0.00 C ATOM 184 O HIS A 16 -6.701 6.220 1.343 1.00 0.00 O ATOM 185 CB HIS A 16 -6.344 9.253 2.536 1.00 0.00 C ATOM 186 CG HIS A 16 -5.439 10.171 3.299 1.00 0.00 C ATOM 187 ND1 HIS A 16 -5.899 11.256 4.014 1.00 0.00 N ATOM 188 CD2 HIS A 16 -4.095 10.159 3.457 1.00 0.00 C ATOM 189 CE1 HIS A 16 -4.876 11.874 4.578 1.00 0.00 C ATOM 190 NE2 HIS A 16 -3.770 11.228 4.256 1.00 0.00 N ATOM 0 H HIS A 16 -5.185 10.132 0.537 1.00 0.00 H new ATOM 0 HA HIS A 16 -4.849 7.776 2.091 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -7.076 9.848 1.990 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -6.899 8.634 3.241 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -3.406 9.443 3.034 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -4.934 12.757 5.197 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -2.828 11.482 4.552 1.00 0.00 H new ATOM 199 N GLN A 17 -7.284 7.827 -0.121 1.00 0.00 N ATOM 200 CA GLN A 17 -8.254 6.991 -0.819 1.00 0.00 C ATOM 201 C GLN A 17 -7.675 5.609 -1.105 1.00 0.00 C ATOM 202 O GLN A 17 -8.141 4.607 -0.563 1.00 0.00 O ATOM 203 CB GLN A 17 -8.685 7.657 -2.127 1.00 0.00 C ATOM 204 CG GLN A 17 -9.572 8.874 -1.926 1.00 0.00 C ATOM 205 CD GLN A 17 -10.316 9.269 -3.186 1.00 0.00 C ATOM 206 OE1 GLN A 17 -10.713 8.415 -3.980 1.00 0.00 O ATOM 207 NE2 GLN A 17 -10.511 10.568 -3.377 1.00 0.00 N ATOM 0 H GLN A 17 -7.198 8.773 -0.492 1.00 0.00 H new ATOM 0 HA GLN A 17 -9.125 6.874 -0.175 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -7.796 7.953 -2.684 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -9.216 6.928 -2.739 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -10.291 8.667 -1.134 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -8.961 9.713 -1.591 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -10.165 11.242 -2.694 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -11.007 10.893 -4.207 1.00 0.00 H new ATOM 216 N GLN A 18 -6.658 5.564 -1.959 1.00 0.00 N ATOM 217 CA GLN A 18 -6.017 4.304 -2.317 1.00 0.00 C ATOM 218 C GLN A 18 -5.379 3.651 -1.095 1.00 0.00 C ATOM 219 O GLN A 18 -5.508 2.445 -0.885 1.00 0.00 O ATOM 220 CB GLN A 18 -4.959 4.535 -3.398 1.00 0.00 C ATOM 221 CG GLN A 18 -5.470 5.326 -4.591 1.00 0.00 C ATOM 222 CD GLN A 18 -6.434 4.530 -5.449 1.00 0.00 C ATOM 223 OE1 GLN A 18 -7.578 4.935 -5.658 1.00 0.00 O ATOM 224 NE2 GLN A 18 -5.975 3.390 -5.953 1.00 0.00 N ATOM 0 H GLN A 18 -6.260 6.385 -2.416 1.00 0.00 H new ATOM 0 HA GLN A 18 -6.783 3.633 -2.706 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -4.112 5.062 -2.959 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -4.589 3.570 -3.744 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -5.966 6.230 -4.237 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -4.624 5.644 -5.201 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -5.020 3.092 -5.754 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -6.578 2.812 -6.539 1.00 0.00 H new ATOM 233 N SER A 19 -4.691 4.456 -0.292 1.00 0.00 N ATOM 234 CA SER A 19 -4.029 3.955 0.907 1.00 0.00 C ATOM 235 C SER A 19 -4.938 2.995 1.669 1.00 0.00 C ATOM 236 O SER A 19 -4.517 1.908 2.065 1.00 0.00 O ATOM 237 CB SER A 19 -3.622 5.119 1.814 1.00 0.00 C ATOM 238 OG SER A 19 -3.335 4.666 3.126 1.00 0.00 O ATOM 0 H SER A 19 -4.577 5.457 -0.450 1.00 0.00 H new ATOM 0 HA SER A 19 -3.135 3.413 0.599 1.00 0.00 H new ATOM 0 HB2 SER A 19 -2.747 5.619 1.399 1.00 0.00 H new ATOM 0 HB3 SER A 19 -4.424 5.856 1.848 1.00 0.00 H new ATOM 0 HG SER A 19 -3.076 5.428 3.686 1.00 0.00 H new ATOM 244 N ARG A 20 -6.186 3.406 1.869 1.00 0.00 N ATOM 245 CA ARG A 20 -7.155 2.584 2.584 1.00 0.00 C ATOM 246 C ARG A 20 -7.341 1.237 1.892 1.00 0.00 C ATOM 247 O ARG A 20 -7.336 0.190 2.538 1.00 0.00 O ATOM 248 CB ARG A 20 -8.498 3.310 2.681 1.00 0.00 C ATOM 249 CG ARG A 20 -8.447 4.574 3.524 1.00 0.00 C ATOM 250 CD ARG A 20 -9.785 4.852 4.192 1.00 0.00 C ATOM 251 NE ARG A 20 -9.995 6.278 4.424 1.00 0.00 N ATOM 252 CZ ARG A 20 -11.099 6.780 4.966 1.00 0.00 C ATOM 253 NH1 ARG A 20 -12.088 5.976 5.329 1.00 0.00 N ATOM 254 NH2 ARG A 20 -11.215 8.090 5.146 1.00 0.00 N ATOM 0 H ARG A 20 -6.550 4.303 1.546 1.00 0.00 H new ATOM 0 HA ARG A 20 -6.772 2.406 3.589 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -8.836 3.566 1.677 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -9.239 2.631 3.103 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -7.673 4.474 4.285 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -8.170 5.421 2.896 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -10.590 4.464 3.567 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -9.834 4.319 5.142 1.00 0.00 H new ATOM 0 HE ARG A 20 -9.253 6.924 4.155 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -12.003 4.969 5.192 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -12.934 6.364 5.745 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -10.456 8.712 4.868 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -12.063 8.474 5.562 1.00 0.00 H new ATOM 268 N ARG A 21 -7.506 1.273 0.573 1.00 0.00 N ATOM 269 CA ARG A 21 -7.695 0.056 -0.206 1.00 0.00 C ATOM 270 C ARG A 21 -6.685 -1.013 0.199 1.00 0.00 C ATOM 271 O ARG A 21 -7.058 -2.124 0.574 1.00 0.00 O ATOM 272 CB ARG A 21 -7.564 0.356 -1.701 1.00 0.00 C ATOM 273 CG ARG A 21 -8.412 -0.547 -2.581 1.00 0.00 C ATOM 274 CD ARG A 21 -8.850 0.165 -3.851 1.00 0.00 C ATOM 275 NE ARG A 21 -9.326 1.519 -3.584 1.00 0.00 N ATOM 276 CZ ARG A 21 -9.467 2.448 -4.523 1.00 0.00 C ATOM 277 NH1 ARG A 21 -9.169 2.169 -5.785 1.00 0.00 N ATOM 278 NH2 ARG A 21 -9.906 3.658 -4.201 1.00 0.00 N ATOM 0 H ARG A 21 -7.512 2.132 0.023 1.00 0.00 H new ATOM 0 HA ARG A 21 -8.697 -0.321 -0.004 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -7.847 1.393 -1.881 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -6.519 0.255 -1.993 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -7.845 -1.441 -2.841 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -9.290 -0.877 -2.026 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -8.015 0.206 -4.550 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -9.641 -0.409 -4.333 1.00 0.00 H new ATOM 0 HE ARG A 21 -9.563 1.765 -2.623 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -8.831 1.240 -6.036 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -9.278 2.884 -6.505 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -10.136 3.876 -3.231 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -10.014 4.370 -4.923 1.00 0.00 H new ATOM 292 N ALA A 22 -5.404 -0.669 0.121 1.00 0.00 N ATOM 293 CA ALA A 22 -4.340 -1.597 0.481 1.00 0.00 C ATOM 294 C ALA A 22 -4.716 -2.411 1.715 1.00 0.00 C ATOM 295 O ALA A 22 -4.214 -3.517 1.917 1.00 0.00 O ATOM 296 CB ALA A 22 -3.039 -0.844 0.720 1.00 0.00 C ATOM 0 H ALA A 22 -5.078 0.247 -0.189 1.00 0.00 H new ATOM 0 HA ALA A 22 -4.199 -2.288 -0.350 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -2.254 -1.551 0.988 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -2.754 -0.312 -0.188 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -3.176 -0.129 1.531 1.00 0.00 H new ATOM 302 N ASP A 23 -5.599 -1.856 2.537 1.00 0.00 N ATOM 303 CA ASP A 23 -6.043 -2.531 3.751 1.00 0.00 C ATOM 304 C ASP A 23 -7.010 -3.664 3.421 1.00 0.00 C ATOM 305 O ASP A 23 -6.729 -4.832 3.691 1.00 0.00 O ATOM 306 CB ASP A 23 -6.710 -1.534 4.699 1.00 0.00 C ATOM 307 CG ASP A 23 -6.704 -2.010 6.139 1.00 0.00 C ATOM 308 OD1 ASP A 23 -5.629 -2.420 6.624 1.00 0.00 O ATOM 309 OD2 ASP A 23 -7.775 -1.973 6.780 1.00 0.00 O ATOM 0 H ASP A 23 -6.022 -0.940 2.385 1.00 0.00 H new ATOM 0 HA ASP A 23 -5.168 -2.957 4.241 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -6.195 -0.575 4.634 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -7.738 -1.366 4.379 1.00 0.00 H new ATOM 314 N ARG A 24 -8.150 -3.311 2.837 1.00 0.00 N ATOM 315 CA ARG A 24 -9.159 -4.297 2.472 1.00 0.00 C ATOM 316 C ARG A 24 -8.543 -5.429 1.655 1.00 0.00 C ATOM 317 O ARG A 24 -9.037 -6.558 1.666 1.00 0.00 O ATOM 318 CB ARG A 24 -10.286 -3.635 1.677 1.00 0.00 C ATOM 319 CG ARG A 24 -11.172 -2.728 2.516 1.00 0.00 C ATOM 320 CD ARG A 24 -12.096 -3.531 3.418 1.00 0.00 C ATOM 321 NE ARG A 24 -13.056 -4.322 2.654 1.00 0.00 N ATOM 322 CZ ARG A 24 -14.065 -3.793 1.970 1.00 0.00 C ATOM 323 NH1 ARG A 24 -14.244 -2.480 1.956 1.00 0.00 N ATOM 324 NH2 ARG A 24 -14.897 -4.579 1.299 1.00 0.00 N ATOM 0 H ARG A 24 -8.398 -2.349 2.606 1.00 0.00 H new ATOM 0 HA ARG A 24 -9.569 -4.717 3.391 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -9.852 -3.054 0.863 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -10.902 -4.410 1.222 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -10.550 -2.071 3.123 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -11.765 -2.090 1.861 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -11.502 -4.192 4.049 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -12.632 -2.854 4.083 1.00 0.00 H new ATOM 0 HE ARG A 24 -12.946 -5.336 2.645 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -13.606 -1.873 2.471 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -15.019 -2.077 1.430 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -14.762 -5.590 1.308 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -15.671 -4.172 0.774 1.00 0.00 H new ATOM 338 N LEU A 25 -7.462 -5.121 0.948 1.00 0.00 N ATOM 339 CA LEU A 25 -6.778 -6.111 0.124 1.00 0.00 C ATOM 340 C LEU A 25 -5.855 -6.981 0.972 1.00 0.00 C ATOM 341 O LEU A 25 -5.782 -8.196 0.782 1.00 0.00 O ATOM 342 CB LEU A 25 -5.974 -5.420 -0.978 1.00 0.00 C ATOM 343 CG LEU A 25 -6.787 -4.817 -2.124 1.00 0.00 C ATOM 344 CD1 LEU A 25 -5.934 -3.854 -2.936 1.00 0.00 C ATOM 345 CD2 LEU A 25 -7.349 -5.915 -3.015 1.00 0.00 C ATOM 0 H LEU A 25 -7.040 -4.193 0.929 1.00 0.00 H new ATOM 0 HA LEU A 25 -7.533 -6.751 -0.333 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.380 -4.627 -0.524 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -5.274 -6.143 -1.397 1.00 0.00 H new ATOM 0 HG LEU A 25 -7.621 -4.260 -1.697 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -6.530 -3.435 -3.747 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -5.581 -3.049 -2.292 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -5.079 -4.387 -3.352 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -7.925 -5.467 -3.825 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -6.529 -6.500 -3.432 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -7.996 -6.566 -2.427 1.00 0.00 H new ATOM 357 N LEU A 26 -5.155 -6.352 1.910 1.00 0.00 N ATOM 358 CA LEU A 26 -4.239 -7.069 2.790 1.00 0.00 C ATOM 359 C LEU A 26 -4.977 -8.134 3.594 1.00 0.00 C ATOM 360 O LEU A 26 -4.441 -9.210 3.858 1.00 0.00 O ATOM 361 CB LEU A 26 -3.541 -6.091 3.737 1.00 0.00 C ATOM 362 CG LEU A 26 -2.934 -6.700 5.002 1.00 0.00 C ATOM 363 CD1 LEU A 26 -1.614 -7.385 4.685 1.00 0.00 C ATOM 364 CD2 LEU A 26 -2.739 -5.630 6.067 1.00 0.00 C ATOM 0 H LEU A 26 -5.204 -5.348 2.081 1.00 0.00 H new ATOM 0 HA LEU A 26 -3.490 -7.563 2.170 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -2.749 -5.585 3.185 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.260 -5.328 4.034 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.624 -7.449 5.389 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.197 -7.812 5.597 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.781 -8.178 3.956 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -0.915 -6.656 4.274 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.306 -6.080 6.960 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.069 -4.858 5.689 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -3.702 -5.184 6.316 1.00 0.00 H new ATOM 376 N ALA A 27 -6.212 -7.828 3.979 1.00 0.00 N ATOM 377 CA ALA A 27 -7.025 -8.760 4.749 1.00 0.00 C ATOM 378 C ALA A 27 -7.430 -9.963 3.904 1.00 0.00 C ATOM 379 O ALA A 27 -7.692 -11.044 4.431 1.00 0.00 O ATOM 380 CB ALA A 27 -8.259 -8.057 5.296 1.00 0.00 C ATOM 0 H ALA A 27 -6.671 -6.941 3.770 1.00 0.00 H new ATOM 0 HA ALA A 27 -6.426 -9.121 5.585 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -8.857 -8.765 5.869 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -7.953 -7.234 5.942 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -8.852 -7.667 4.469 1.00 0.00 H new ATOM 386 N ALA A 28 -7.480 -9.768 2.590 1.00 0.00 N ATOM 387 CA ALA A 28 -7.852 -10.837 1.673 1.00 0.00 C ATOM 388 C ALA A 28 -6.618 -11.553 1.135 1.00 0.00 C ATOM 389 O ALA A 28 -6.697 -12.304 0.164 1.00 0.00 O ATOM 390 CB ALA A 28 -8.684 -10.283 0.526 1.00 0.00 C ATOM 0 H ALA A 28 -7.267 -8.879 2.137 1.00 0.00 H new ATOM 0 HA ALA A 28 -8.450 -11.563 2.224 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -8.955 -11.093 -0.151 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -9.589 -9.823 0.922 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -8.105 -9.535 -0.016 1.00 0.00 H new ATOM 396 N GLY A 29 -5.476 -11.315 1.773 1.00 0.00 N ATOM 397 CA GLY A 29 -4.241 -11.944 1.344 1.00 0.00 C ATOM 398 C GLY A 29 -3.778 -11.447 -0.011 1.00 0.00 C ATOM 399 O GLY A 29 -2.922 -12.063 -0.648 1.00 0.00 O ATOM 0 H GLY A 29 -5.384 -10.697 2.580 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -3.463 -11.752 2.083 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -4.382 -13.024 1.303 1.00 0.00 H new ATOM 403 N LYS A 30 -4.344 -10.331 -0.456 1.00 0.00 N ATOM 404 CA LYS A 30 -3.986 -9.750 -1.744 1.00 0.00 C ATOM 405 C LYS A 30 -2.790 -8.814 -1.606 1.00 0.00 C ATOM 406 O LYS A 30 -2.794 -7.703 -2.136 1.00 0.00 O ATOM 407 CB LYS A 30 -5.176 -8.990 -2.333 1.00 0.00 C ATOM 408 CG LYS A 30 -6.449 -9.816 -2.408 1.00 0.00 C ATOM 409 CD LYS A 30 -6.556 -10.558 -3.730 1.00 0.00 C ATOM 410 CE LYS A 30 -8.004 -10.856 -4.087 1.00 0.00 C ATOM 411 NZ LYS A 30 -8.449 -12.171 -3.547 1.00 0.00 N ATOM 0 H LYS A 30 -5.054 -9.810 0.058 1.00 0.00 H new ATOM 0 HA LYS A 30 -3.713 -10.563 -2.417 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -5.364 -8.102 -1.729 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -4.917 -8.646 -3.334 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -6.468 -10.531 -1.586 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -7.314 -9.165 -2.284 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -6.101 -9.962 -4.521 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -5.995 -11.491 -3.671 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -8.645 -10.066 -3.694 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -8.119 -10.851 -5.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -9.441 -12.337 -3.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -7.854 -12.927 -3.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -8.363 -12.168 -2.511 1.00 0.00 H new ATOM 425 N TYR A 31 -1.767 -9.270 -0.891 1.00 0.00 N ATOM 426 CA TYR A 31 -0.565 -8.473 -0.682 1.00 0.00 C ATOM 427 C TYR A 31 -0.242 -7.640 -1.919 1.00 0.00 C ATOM 428 O TYR A 31 -0.285 -6.411 -1.880 1.00 0.00 O ATOM 429 CB TYR A 31 0.620 -9.378 -0.340 1.00 0.00 C ATOM 430 CG TYR A 31 0.416 -10.194 0.917 1.00 0.00 C ATOM 431 CD1 TYR A 31 0.651 -9.644 2.171 1.00 0.00 C ATOM 432 CD2 TYR A 31 -0.011 -11.514 0.850 1.00 0.00 C ATOM 433 CE1 TYR A 31 0.466 -10.385 3.322 1.00 0.00 C ATOM 434 CE2 TYR A 31 -0.200 -12.262 1.996 1.00 0.00 C ATOM 435 CZ TYR A 31 0.040 -11.694 3.229 1.00 0.00 C ATOM 436 OH TYR A 31 -0.145 -12.436 4.373 1.00 0.00 O ATOM 0 H TYR A 31 -1.747 -10.188 -0.447 1.00 0.00 H new ATOM 0 HA TYR A 31 -0.749 -7.796 0.152 1.00 0.00 H new ATOM 0 HB2 TYR A 31 0.804 -10.053 -1.176 1.00 0.00 H new ATOM 0 HB3 TYR A 31 1.513 -8.764 -0.224 1.00 0.00 H new ATOM 0 HD1 TYR A 31 0.984 -8.619 2.247 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -0.198 -11.963 -0.114 1.00 0.00 H new ATOM 0 HE1 TYR A 31 0.654 -9.942 4.289 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -0.534 -13.287 1.926 1.00 0.00 H new ATOM 0 HH TYR A 31 -0.448 -13.337 4.133 1.00 0.00 H new ATOM 446 N GLU A 32 0.081 -8.319 -3.015 1.00 0.00 N ATOM 447 CA GLU A 32 0.412 -7.642 -4.263 1.00 0.00 C ATOM 448 C GLU A 32 -0.575 -6.513 -4.547 1.00 0.00 C ATOM 449 O GLU A 32 -0.186 -5.352 -4.668 1.00 0.00 O ATOM 450 CB GLU A 32 0.411 -8.638 -5.425 1.00 0.00 C ATOM 451 CG GLU A 32 -0.451 -9.864 -5.175 1.00 0.00 C ATOM 452 CD GLU A 32 -0.713 -10.660 -6.439 1.00 0.00 C ATOM 453 OE1 GLU A 32 0.243 -10.873 -7.214 1.00 0.00 O ATOM 454 OE2 GLU A 32 -1.874 -11.068 -6.654 1.00 0.00 O ATOM 0 H GLU A 32 0.120 -9.337 -3.064 1.00 0.00 H new ATOM 0 HA GLU A 32 1.409 -7.214 -4.161 1.00 0.00 H new ATOM 0 HB2 GLU A 32 0.058 -8.134 -6.325 1.00 0.00 H new ATOM 0 HB3 GLU A 32 1.435 -8.958 -5.619 1.00 0.00 H new ATOM 0 HG2 GLU A 32 0.039 -10.505 -4.442 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -1.402 -9.553 -4.742 1.00 0.00 H new ATOM 461 N GLU A 33 -1.853 -6.864 -4.653 1.00 0.00 N ATOM 462 CA GLU A 33 -2.894 -5.880 -4.924 1.00 0.00 C ATOM 463 C GLU A 33 -2.692 -4.626 -4.078 1.00 0.00 C ATOM 464 O GLU A 33 -2.910 -3.508 -4.544 1.00 0.00 O ATOM 465 CB GLU A 33 -4.276 -6.478 -4.648 1.00 0.00 C ATOM 466 CG GLU A 33 -4.604 -7.680 -5.518 1.00 0.00 C ATOM 467 CD GLU A 33 -4.215 -7.473 -6.969 1.00 0.00 C ATOM 468 OE1 GLU A 33 -4.547 -6.405 -7.525 1.00 0.00 O ATOM 469 OE2 GLU A 33 -3.580 -8.379 -7.548 1.00 0.00 O ATOM 0 H GLU A 33 -2.192 -7.821 -4.555 1.00 0.00 H new ATOM 0 HA GLU A 33 -2.830 -5.601 -5.976 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -4.332 -6.772 -3.600 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -5.033 -5.709 -4.804 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -4.087 -8.557 -5.129 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -5.673 -7.887 -5.458 1.00 0.00 H new ATOM 476 N ALA A 34 -2.275 -4.822 -2.831 1.00 0.00 N ATOM 477 CA ALA A 34 -2.042 -3.708 -1.920 1.00 0.00 C ATOM 478 C ALA A 34 -0.723 -3.009 -2.234 1.00 0.00 C ATOM 479 O ALA A 34 -0.602 -1.794 -2.078 1.00 0.00 O ATOM 480 CB ALA A 34 -2.053 -4.195 -0.478 1.00 0.00 C ATOM 0 H ALA A 34 -2.092 -5.741 -2.429 1.00 0.00 H new ATOM 0 HA ALA A 34 -2.847 -2.986 -2.055 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -1.878 -3.353 0.192 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -3.021 -4.643 -0.253 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -1.268 -4.939 -0.339 1.00 0.00 H new ATOM 486 N ILE A 35 0.262 -3.784 -2.675 1.00 0.00 N ATOM 487 CA ILE A 35 1.571 -3.238 -3.011 1.00 0.00 C ATOM 488 C ILE A 35 1.453 -2.120 -4.041 1.00 0.00 C ATOM 489 O ILE A 35 2.004 -1.034 -3.859 1.00 0.00 O ATOM 490 CB ILE A 35 2.512 -4.327 -3.559 1.00 0.00 C ATOM 491 CG1 ILE A 35 2.790 -5.380 -2.483 1.00 0.00 C ATOM 492 CG2 ILE A 35 3.811 -3.707 -4.049 1.00 0.00 C ATOM 493 CD1 ILE A 35 3.428 -6.641 -3.023 1.00 0.00 C ATOM 0 H ILE A 35 0.178 -4.792 -2.808 1.00 0.00 H new ATOM 0 HA ILE A 35 1.991 -2.837 -2.089 1.00 0.00 H new ATOM 0 HB ILE A 35 2.025 -4.816 -4.403 1.00 0.00 H new ATOM 0 HG12 ILE A 35 3.442 -4.949 -1.724 1.00 0.00 H new ATOM 0 HG13 ILE A 35 1.854 -5.639 -1.989 1.00 0.00 H new ATOM 0 HG21 ILE A 35 4.465 -4.489 -4.433 1.00 0.00 H new ATOM 0 HG22 ILE A 35 3.596 -2.992 -4.843 1.00 0.00 H new ATOM 0 HG23 ILE A 35 4.304 -3.195 -3.223 1.00 0.00 H new ATOM 0 HD11 ILE A 35 3.596 -7.342 -2.206 1.00 0.00 H new ATOM 0 HD12 ILE A 35 2.767 -7.096 -3.761 1.00 0.00 H new ATOM 0 HD13 ILE A 35 4.381 -6.395 -3.492 1.00 0.00 H new ATOM 505 N SER A 36 0.728 -2.392 -5.121 1.00 0.00 N ATOM 506 CA SER A 36 0.538 -1.409 -6.182 1.00 0.00 C ATOM 507 C SER A 36 -0.303 -0.235 -5.690 1.00 0.00 C ATOM 508 O SER A 36 0.011 0.925 -5.962 1.00 0.00 O ATOM 509 CB SER A 36 -0.132 -2.059 -7.394 1.00 0.00 C ATOM 510 OG SER A 36 -1.367 -2.654 -7.036 1.00 0.00 O ATOM 0 H SER A 36 0.262 -3.285 -5.285 1.00 0.00 H new ATOM 0 HA SER A 36 1.518 -1.033 -6.476 1.00 0.00 H new ATOM 0 HB2 SER A 36 -0.297 -1.309 -8.168 1.00 0.00 H new ATOM 0 HB3 SER A 36 0.530 -2.814 -7.818 1.00 0.00 H new ATOM 0 HG SER A 36 -1.776 -3.061 -7.828 1.00 0.00 H new ATOM 516 N CYS A 37 -1.373 -0.544 -4.966 1.00 0.00 N ATOM 517 CA CYS A 37 -2.261 0.485 -4.436 1.00 0.00 C ATOM 518 C CYS A 37 -1.465 1.588 -3.747 1.00 0.00 C ATOM 519 O CYS A 37 -1.894 2.741 -3.700 1.00 0.00 O ATOM 520 CB CYS A 37 -3.259 -0.130 -3.455 1.00 0.00 C ATOM 521 SG CYS A 37 -4.505 -1.186 -4.232 1.00 0.00 S ATOM 0 H CYS A 37 -1.647 -1.498 -4.733 1.00 0.00 H new ATOM 0 HA CYS A 37 -2.807 0.924 -5.271 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -2.712 -0.716 -2.716 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -3.763 0.672 -2.916 1.00 0.00 H new ATOM 0 HG CYS A 37 -3.937 -2.260 -4.693 1.00 0.00 H new ATOM 527 N HIS A 38 -0.304 1.226 -3.210 1.00 0.00 N ATOM 528 CA HIS A 38 0.552 2.185 -2.522 1.00 0.00 C ATOM 529 C HIS A 38 1.500 2.870 -3.502 1.00 0.00 C ATOM 530 O HIS A 38 1.720 4.079 -3.425 1.00 0.00 O ATOM 531 CB HIS A 38 1.354 1.487 -1.423 1.00 0.00 C ATOM 532 CG HIS A 38 0.651 1.448 -0.101 1.00 0.00 C ATOM 533 ND1 HIS A 38 0.113 2.567 0.499 1.00 0.00 N ATOM 534 CD2 HIS A 38 0.397 0.416 0.737 1.00 0.00 C ATOM 535 CE1 HIS A 38 -0.440 2.225 1.649 1.00 0.00 C ATOM 536 NE2 HIS A 38 -0.281 0.925 1.817 1.00 0.00 N ATOM 0 H HIS A 38 0.065 0.276 -3.238 1.00 0.00 H new ATOM 0 HA HIS A 38 -0.086 2.945 -2.070 1.00 0.00 H new ATOM 0 HB2 HIS A 38 1.575 0.467 -1.738 1.00 0.00 H new ATOM 0 HB3 HIS A 38 2.310 1.997 -1.302 1.00 0.00 H new ATOM 0 HD2 HIS A 38 0.676 -0.616 0.585 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -0.937 2.895 2.335 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -0.609 0.386 2.619 1.00 0.00 H new ATOM 545 N ARG A 39 2.057 2.090 -4.422 1.00 0.00 N ATOM 546 CA ARG A 39 2.981 2.621 -5.417 1.00 0.00 C ATOM 547 C ARG A 39 2.382 3.833 -6.123 1.00 0.00 C ATOM 548 O ARG A 39 3.082 4.802 -6.420 1.00 0.00 O ATOM 549 CB ARG A 39 3.336 1.543 -6.442 1.00 0.00 C ATOM 550 CG ARG A 39 4.471 0.633 -6.002 1.00 0.00 C ATOM 551 CD ARG A 39 4.978 -0.222 -7.153 1.00 0.00 C ATOM 552 NE ARG A 39 6.302 -0.774 -6.883 1.00 0.00 N ATOM 553 CZ ARG A 39 7.106 -1.253 -7.826 1.00 0.00 C ATOM 554 NH1 ARG A 39 6.721 -1.247 -9.095 1.00 0.00 N ATOM 555 NH2 ARG A 39 8.297 -1.739 -7.501 1.00 0.00 N ATOM 0 H ARG A 39 1.885 1.088 -4.499 1.00 0.00 H new ATOM 0 HA ARG A 39 3.889 2.935 -4.902 1.00 0.00 H new ATOM 0 HB2 ARG A 39 2.452 0.937 -6.640 1.00 0.00 H new ATOM 0 HB3 ARG A 39 3.610 2.023 -7.381 1.00 0.00 H new ATOM 0 HG2 ARG A 39 5.289 1.235 -5.607 1.00 0.00 H new ATOM 0 HG3 ARG A 39 4.129 -0.011 -5.192 1.00 0.00 H new ATOM 0 HD2 ARG A 39 4.277 -1.036 -7.336 1.00 0.00 H new ATOM 0 HD3 ARG A 39 5.014 0.378 -8.062 1.00 0.00 H new ATOM 0 HE ARG A 39 6.628 -0.793 -5.917 1.00 0.00 H new ATOM 0 HH11 ARG A 39 5.806 -0.874 -9.349 1.00 0.00 H new ATOM 0 HH12 ARG A 39 7.340 -1.615 -9.817 1.00 0.00 H new ATOM 0 HH21 ARG A 39 8.597 -1.745 -6.526 1.00 0.00 H new ATOM 0 HH22 ARG A 39 8.913 -2.106 -8.226 1.00 0.00 H new ATOM 569 N LYS A 40 1.082 3.773 -6.391 1.00 0.00 N ATOM 570 CA LYS A 40 0.387 4.865 -7.062 1.00 0.00 C ATOM 571 C LYS A 40 0.326 6.100 -6.170 1.00 0.00 C ATOM 572 O LYS A 40 0.805 7.171 -6.543 1.00 0.00 O ATOM 573 CB LYS A 40 -1.028 4.433 -7.452 1.00 0.00 C ATOM 574 CG LYS A 40 -1.092 3.668 -8.762 1.00 0.00 C ATOM 575 CD LYS A 40 -0.726 2.205 -8.572 1.00 0.00 C ATOM 576 CE LYS A 40 -0.771 1.444 -9.888 1.00 0.00 C ATOM 577 NZ LYS A 40 0.198 1.990 -10.878 1.00 0.00 N ATOM 0 H LYS A 40 0.488 2.979 -6.153 1.00 0.00 H new ATOM 0 HA LYS A 40 0.944 5.118 -7.964 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -1.441 3.811 -6.658 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -1.661 5.317 -7.526 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -2.097 3.742 -9.179 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -0.414 4.123 -9.484 1.00 0.00 H new ATOM 0 HD2 LYS A 40 0.273 2.132 -8.142 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -1.413 1.746 -7.861 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -0.551 0.392 -9.707 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -1.778 1.492 -10.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 0.311 1.315 -11.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -0.157 2.895 -11.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 1.117 2.142 -10.416 1.00 0.00 H new ATOM 591 N ALA A 41 -0.266 5.944 -4.990 1.00 0.00 N ATOM 592 CA ALA A 41 -0.386 7.046 -4.044 1.00 0.00 C ATOM 593 C ALA A 41 0.962 7.722 -3.814 1.00 0.00 C ATOM 594 O ALA A 41 1.087 8.940 -3.941 1.00 0.00 O ATOM 595 CB ALA A 41 -0.962 6.550 -2.726 1.00 0.00 C ATOM 0 H ALA A 41 -0.670 5.065 -4.667 1.00 0.00 H new ATOM 0 HA ALA A 41 -1.065 7.785 -4.469 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -1.046 7.384 -2.029 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -1.949 6.121 -2.899 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -0.304 5.790 -2.305 1.00 0.00 H new ATOM 601 N THR A 42 1.968 6.923 -3.473 1.00 0.00 N ATOM 602 CA THR A 42 3.306 7.444 -3.223 1.00 0.00 C ATOM 603 C THR A 42 3.766 8.348 -4.361 1.00 0.00 C ATOM 604 O THR A 42 4.183 9.485 -4.136 1.00 0.00 O ATOM 605 CB THR A 42 4.328 6.305 -3.044 1.00 0.00 C ATOM 606 OG1 THR A 42 4.100 5.284 -4.021 1.00 0.00 O ATOM 607 CG2 THR A 42 4.233 5.708 -1.647 1.00 0.00 C ATOM 0 H THR A 42 1.881 5.913 -3.364 1.00 0.00 H new ATOM 0 HA THR A 42 3.252 8.023 -2.301 1.00 0.00 H new ATOM 0 HB THR A 42 5.327 6.719 -3.178 1.00 0.00 H new ATOM 0 HG1 THR A 42 3.330 4.740 -3.752 1.00 0.00 H new ATOM 0 HG21 THR A 42 4.964 4.906 -1.544 1.00 0.00 H new ATOM 0 HG22 THR A 42 4.436 6.481 -0.906 1.00 0.00 H new ATOM 0 HG23 THR A 42 3.231 5.309 -1.489 1.00 0.00 H new ATOM 615 N THR A 43 3.686 7.838 -5.586 1.00 0.00 N ATOM 616 CA THR A 43 4.095 8.599 -6.760 1.00 0.00 C ATOM 617 C THR A 43 3.450 9.981 -6.770 1.00 0.00 C ATOM 618 O THR A 43 4.131 10.993 -6.938 1.00 0.00 O ATOM 619 CB THR A 43 3.727 7.864 -8.062 1.00 0.00 C ATOM 620 OG1 THR A 43 4.292 6.549 -8.059 1.00 0.00 O ATOM 621 CG2 THR A 43 4.225 8.633 -9.277 1.00 0.00 C ATOM 0 H THR A 43 3.341 6.900 -5.791 1.00 0.00 H new ATOM 0 HA THR A 43 5.178 8.706 -6.706 1.00 0.00 H new ATOM 0 HB THR A 43 2.641 7.792 -8.118 1.00 0.00 H new ATOM 0 HG1 THR A 43 3.696 5.938 -7.578 1.00 0.00 H new ATOM 0 HG21 THR A 43 3.953 8.094 -10.185 1.00 0.00 H new ATOM 0 HG22 THR A 43 3.770 9.623 -9.293 1.00 0.00 H new ATOM 0 HG23 THR A 43 5.309 8.733 -9.225 1.00 0.00 H new ATOM 629 N TYR A 44 2.135 10.016 -6.588 1.00 0.00 N ATOM 630 CA TYR A 44 1.399 11.275 -6.578 1.00 0.00 C ATOM 631 C TYR A 44 1.980 12.238 -5.548 1.00 0.00 C ATOM 632 O TYR A 44 2.235 13.406 -5.846 1.00 0.00 O ATOM 633 CB TYR A 44 -0.080 11.022 -6.279 1.00 0.00 C ATOM 634 CG TYR A 44 -0.906 12.286 -6.197 1.00 0.00 C ATOM 635 CD1 TYR A 44 -0.757 13.299 -7.137 1.00 0.00 C ATOM 636 CD2 TYR A 44 -1.834 12.468 -5.180 1.00 0.00 C ATOM 637 CE1 TYR A 44 -1.508 14.456 -7.066 1.00 0.00 C ATOM 638 CE2 TYR A 44 -2.591 13.621 -5.102 1.00 0.00 C ATOM 639 CZ TYR A 44 -2.424 14.612 -6.046 1.00 0.00 C ATOM 640 OH TYR A 44 -3.176 15.763 -5.971 1.00 0.00 O ATOM 0 H TYR A 44 1.557 9.188 -6.445 1.00 0.00 H new ATOM 0 HA TYR A 44 1.492 11.729 -7.565 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -0.494 10.377 -7.054 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -0.164 10.481 -5.336 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -0.041 13.179 -7.937 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -1.966 11.695 -4.437 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -1.379 15.234 -7.804 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -3.310 13.745 -4.306 1.00 0.00 H new ATOM 0 HH TYR A 44 -3.823 15.779 -6.707 1.00 0.00 H new ATOM 650 N LEU A 45 2.188 11.741 -4.334 1.00 0.00 N ATOM 651 CA LEU A 45 2.740 12.555 -3.257 1.00 0.00 C ATOM 652 C LEU A 45 4.086 13.150 -3.660 1.00 0.00 C ATOM 653 O LEU A 45 4.337 14.337 -3.454 1.00 0.00 O ATOM 654 CB LEU A 45 2.899 11.718 -1.987 1.00 0.00 C ATOM 655 CG LEU A 45 1.634 11.518 -1.152 1.00 0.00 C ATOM 656 CD1 LEU A 45 1.882 10.510 -0.041 1.00 0.00 C ATOM 657 CD2 LEU A 45 1.162 12.845 -0.575 1.00 0.00 C ATOM 0 H LEU A 45 1.983 10.777 -4.071 1.00 0.00 H new ATOM 0 HA LEU A 45 2.046 13.372 -3.060 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.284 10.738 -2.268 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.655 12.189 -1.358 1.00 0.00 H new ATOM 0 HG LEU A 45 0.851 11.127 -1.801 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.971 10.380 0.543 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.173 9.554 -0.476 1.00 0.00 H new ATOM 0 HD13 LEU A 45 2.680 10.872 0.607 1.00 0.00 H new ATOM 0 HD21 LEU A 45 0.261 12.685 0.017 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.943 13.264 0.060 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.944 13.538 -1.388 1.00 0.00 H new ATOM 669 N SER A 46 4.946 12.317 -4.237 1.00 0.00 N ATOM 670 CA SER A 46 6.267 12.760 -4.667 1.00 0.00 C ATOM 671 C SER A 46 6.155 13.842 -5.738 1.00 0.00 C ATOM 672 O SER A 46 7.036 14.690 -5.872 1.00 0.00 O ATOM 673 CB SER A 46 7.075 11.577 -5.204 1.00 0.00 C ATOM 674 OG SER A 46 8.447 11.910 -5.326 1.00 0.00 O ATOM 0 H SER A 46 4.752 11.332 -4.417 1.00 0.00 H new ATOM 0 HA SER A 46 6.782 13.180 -3.803 1.00 0.00 H new ATOM 0 HB2 SER A 46 6.963 10.723 -4.536 1.00 0.00 H new ATOM 0 HB3 SER A 46 6.683 11.276 -6.175 1.00 0.00 H new ATOM 0 HG SER A 46 8.942 11.137 -5.670 1.00 0.00 H new ATOM 680 N GLU A 47 5.064 13.804 -6.497 1.00 0.00 N ATOM 681 CA GLU A 47 4.837 14.780 -7.556 1.00 0.00 C ATOM 682 C GLU A 47 4.232 16.062 -6.994 1.00 0.00 C ATOM 683 O GLU A 47 4.246 17.106 -7.645 1.00 0.00 O ATOM 684 CB GLU A 47 3.916 14.196 -8.629 1.00 0.00 C ATOM 685 CG GLU A 47 4.658 13.466 -9.736 1.00 0.00 C ATOM 686 CD GLU A 47 5.324 14.413 -10.716 1.00 0.00 C ATOM 687 OE1 GLU A 47 4.610 14.982 -11.568 1.00 0.00 O ATOM 688 OE2 GLU A 47 6.558 14.584 -10.630 1.00 0.00 O ATOM 0 H GLU A 47 4.324 13.109 -6.398 1.00 0.00 H new ATOM 0 HA GLU A 47 5.800 15.020 -8.006 1.00 0.00 H new ATOM 0 HB2 GLU A 47 3.214 13.508 -8.158 1.00 0.00 H new ATOM 0 HB3 GLU A 47 3.327 15.001 -9.068 1.00 0.00 H new ATOM 0 HG2 GLU A 47 5.413 12.816 -9.294 1.00 0.00 H new ATOM 0 HG3 GLU A 47 3.960 12.824 -10.274 1.00 0.00 H new ATOM 695 N ALA A 48 3.699 15.975 -5.779 1.00 0.00 N ATOM 696 CA ALA A 48 3.090 17.128 -5.128 1.00 0.00 C ATOM 697 C ALA A 48 4.152 18.083 -4.595 1.00 0.00 C ATOM 698 O ALA A 48 4.174 19.261 -4.948 1.00 0.00 O ATOM 699 CB ALA A 48 2.173 16.674 -4.002 1.00 0.00 C ATOM 0 H ALA A 48 3.677 15.118 -5.226 1.00 0.00 H new ATOM 0 HA ALA A 48 2.499 17.663 -5.871 1.00 0.00 H new ATOM 0 HB1 ALA A 48 1.725 17.545 -3.524 1.00 0.00 H new ATOM 0 HB2 ALA A 48 1.386 16.038 -4.408 1.00 0.00 H new ATOM 0 HB3 ALA A 48 2.750 16.114 -3.266 1.00 0.00 H new ATOM 705 N MET A 49 5.032 17.566 -3.742 1.00 0.00 N ATOM 706 CA MET A 49 6.098 18.374 -3.161 1.00 0.00 C ATOM 707 C MET A 49 6.997 18.951 -4.250 1.00 0.00 C ATOM 708 O MET A 49 7.682 19.952 -4.037 1.00 0.00 O ATOM 709 CB MET A 49 6.929 17.536 -2.188 1.00 0.00 C ATOM 710 CG MET A 49 7.515 16.281 -2.814 1.00 0.00 C ATOM 711 SD MET A 49 8.245 15.172 -1.593 1.00 0.00 S ATOM 712 CE MET A 49 6.888 15.000 -0.438 1.00 0.00 C ATOM 0 H MET A 49 5.027 16.592 -3.439 1.00 0.00 H new ATOM 0 HA MET A 49 5.639 19.200 -2.617 1.00 0.00 H new ATOM 0 HB2 MET A 49 7.740 18.149 -1.795 1.00 0.00 H new ATOM 0 HB3 MET A 49 6.305 17.252 -1.341 1.00 0.00 H new ATOM 0 HG2 MET A 49 6.733 15.752 -3.358 1.00 0.00 H new ATOM 0 HG3 MET A 49 8.275 16.564 -3.543 1.00 0.00 H new ATOM 0 HE1 MET A 49 6.850 13.974 -0.071 1.00 0.00 H new ATOM 0 HE2 MET A 49 7.036 15.680 0.401 1.00 0.00 H new ATOM 0 HE3 MET A 49 5.951 15.240 -0.940 1.00 0.00 H new ATOM 722 N LYS A 50 6.991 18.314 -5.416 1.00 0.00 N ATOM 723 CA LYS A 50 7.805 18.764 -6.538 1.00 0.00 C ATOM 724 C LYS A 50 7.166 19.965 -7.227 1.00 0.00 C ATOM 725 O LYS A 50 7.689 20.478 -8.217 1.00 0.00 O ATOM 726 CB LYS A 50 7.996 17.627 -7.545 1.00 0.00 C ATOM 727 CG LYS A 50 9.118 16.672 -7.178 1.00 0.00 C ATOM 728 CD LYS A 50 9.210 15.516 -8.160 1.00 0.00 C ATOM 729 CE LYS A 50 9.943 15.921 -9.430 1.00 0.00 C ATOM 730 NZ LYS A 50 10.237 14.748 -10.299 1.00 0.00 N ATOM 0 H LYS A 50 6.431 17.484 -5.608 1.00 0.00 H new ATOM 0 HA LYS A 50 8.778 19.065 -6.150 1.00 0.00 H new ATOM 0 HB2 LYS A 50 7.065 17.066 -7.628 1.00 0.00 H new ATOM 0 HB3 LYS A 50 8.200 18.053 -8.527 1.00 0.00 H new ATOM 0 HG2 LYS A 50 10.065 17.212 -7.160 1.00 0.00 H new ATOM 0 HG3 LYS A 50 8.953 16.284 -6.173 1.00 0.00 H new ATOM 0 HD2 LYS A 50 9.727 14.679 -7.691 1.00 0.00 H new ATOM 0 HD3 LYS A 50 8.207 15.170 -8.412 1.00 0.00 H new ATOM 0 HE2 LYS A 50 9.340 16.641 -9.983 1.00 0.00 H new ATOM 0 HE3 LYS A 50 10.875 16.421 -9.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 10.737 15.066 -11.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 10.834 14.072 -9.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 9.346 14.285 -10.571 1.00 0.00 H new ATOM 744 N LEU A 51 6.033 20.412 -6.697 1.00 0.00 N ATOM 745 CA LEU A 51 5.322 21.554 -7.260 1.00 0.00 C ATOM 746 C LEU A 51 5.140 22.651 -6.215 1.00 0.00 C ATOM 747 O LEU A 51 5.564 23.791 -6.415 1.00 0.00 O ATOM 748 CB LEU A 51 3.959 21.117 -7.799 1.00 0.00 C ATOM 749 CG LEU A 51 3.950 20.549 -9.219 1.00 0.00 C ATOM 750 CD1 LEU A 51 2.774 19.602 -9.407 1.00 0.00 C ATOM 751 CD2 LEU A 51 3.901 21.673 -10.243 1.00 0.00 C ATOM 0 H LEU A 51 5.587 20.000 -5.877 1.00 0.00 H new ATOM 0 HA LEU A 51 5.919 21.953 -8.080 1.00 0.00 H new ATOM 0 HB2 LEU A 51 3.548 20.365 -7.126 1.00 0.00 H new ATOM 0 HB3 LEU A 51 3.286 21.974 -7.768 1.00 0.00 H new ATOM 0 HG LEU A 51 4.871 19.987 -9.371 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.783 19.207 -10.423 1.00 0.00 H new ATOM 0 HD12 LEU A 51 2.853 18.779 -8.697 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.842 20.141 -9.236 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.895 21.250 -11.248 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.997 22.263 -10.093 1.00 0.00 H new ATOM 0 HD23 LEU A 51 4.776 22.312 -10.124 1.00 0.00 H new ATOM 763 N THR A 52 4.510 22.300 -5.099 1.00 0.00 N ATOM 764 CA THR A 52 4.273 23.253 -4.022 1.00 0.00 C ATOM 765 C THR A 52 5.507 24.111 -3.766 1.00 0.00 C ATOM 766 O THR A 52 6.624 23.601 -3.692 1.00 0.00 O ATOM 767 CB THR A 52 3.879 22.539 -2.716 1.00 0.00 C ATOM 768 OG1 THR A 52 3.193 23.448 -1.848 1.00 0.00 O ATOM 769 CG2 THR A 52 5.108 21.985 -2.010 1.00 0.00 C ATOM 0 H THR A 52 4.154 21.362 -4.917 1.00 0.00 H new ATOM 0 HA THR A 52 3.449 23.891 -4.341 1.00 0.00 H new ATOM 0 HB THR A 52 3.219 21.709 -2.967 1.00 0.00 H new ATOM 0 HG1 THR A 52 2.674 22.942 -1.188 1.00 0.00 H new ATOM 0 HG21 THR A 52 4.805 21.485 -1.090 1.00 0.00 H new ATOM 0 HG22 THR A 52 5.611 21.271 -2.662 1.00 0.00 H new ATOM 0 HG23 THR A 52 5.790 22.802 -1.771 1.00 0.00 H new ATOM 777 N GLU A 53 5.297 25.417 -3.633 1.00 0.00 N ATOM 778 CA GLU A 53 6.394 26.345 -3.386 1.00 0.00 C ATOM 779 C GLU A 53 6.650 26.498 -1.889 1.00 0.00 C ATOM 780 O GLU A 53 7.792 26.658 -1.457 1.00 0.00 O ATOM 781 CB GLU A 53 6.085 27.711 -4.003 1.00 0.00 C ATOM 782 CG GLU A 53 5.947 27.677 -5.516 1.00 0.00 C ATOM 783 CD GLU A 53 5.657 29.043 -6.106 1.00 0.00 C ATOM 784 OE1 GLU A 53 6.082 30.052 -5.503 1.00 0.00 O ATOM 785 OE2 GLU A 53 5.005 29.105 -7.169 1.00 0.00 O ATOM 0 H GLU A 53 4.378 25.856 -3.692 1.00 0.00 H new ATOM 0 HA GLU A 53 7.292 25.938 -3.852 1.00 0.00 H new ATOM 0 HB2 GLU A 53 5.161 28.095 -3.571 1.00 0.00 H new ATOM 0 HB3 GLU A 53 6.877 28.410 -3.734 1.00 0.00 H new ATOM 0 HG2 GLU A 53 6.866 27.285 -5.952 1.00 0.00 H new ATOM 0 HG3 GLU A 53 5.146 26.990 -5.789 1.00 0.00 H new ATOM 792 N SER A 54 5.579 26.449 -1.103 1.00 0.00 N ATOM 793 CA SER A 54 5.686 26.587 0.345 1.00 0.00 C ATOM 794 C SER A 54 6.540 25.468 0.935 1.00 0.00 C ATOM 795 O SER A 54 6.677 24.399 0.341 1.00 0.00 O ATOM 796 CB SER A 54 4.297 26.574 0.984 1.00 0.00 C ATOM 797 OG SER A 54 3.550 27.717 0.603 1.00 0.00 O ATOM 0 H SER A 54 4.627 26.315 -1.445 1.00 0.00 H new ATOM 0 HA SER A 54 6.168 27.541 0.560 1.00 0.00 H new ATOM 0 HB2 SER A 54 3.764 25.671 0.685 1.00 0.00 H new ATOM 0 HB3 SER A 54 4.393 26.543 2.069 1.00 0.00 H new ATOM 0 HG SER A 54 2.665 27.684 1.023 1.00 0.00 H new ATOM 803 N GLU A 55 7.111 25.724 2.108 1.00 0.00 N ATOM 804 CA GLU A 55 7.952 24.739 2.778 1.00 0.00 C ATOM 805 C GLU A 55 7.109 23.789 3.623 1.00 0.00 C ATOM 806 O GLU A 55 7.060 22.588 3.361 1.00 0.00 O ATOM 807 CB GLU A 55 8.990 25.438 3.659 1.00 0.00 C ATOM 808 CG GLU A 55 9.913 24.477 4.390 1.00 0.00 C ATOM 809 CD GLU A 55 10.680 25.147 5.514 1.00 0.00 C ATOM 810 OE1 GLU A 55 11.771 25.692 5.246 1.00 0.00 O ATOM 811 OE2 GLU A 55 10.188 25.126 6.662 1.00 0.00 O ATOM 0 H GLU A 55 7.007 26.604 2.613 1.00 0.00 H new ATOM 0 HA GLU A 55 8.467 24.158 2.013 1.00 0.00 H new ATOM 0 HB2 GLU A 55 9.590 26.105 3.040 1.00 0.00 H new ATOM 0 HB3 GLU A 55 8.474 26.060 4.390 1.00 0.00 H new ATOM 0 HG2 GLU A 55 9.326 23.653 4.796 1.00 0.00 H new ATOM 0 HG3 GLU A 55 10.619 24.046 3.680 1.00 0.00 H new ATOM 818 N GLN A 56 6.447 24.337 4.637 1.00 0.00 N ATOM 819 CA GLN A 56 5.607 23.538 5.522 1.00 0.00 C ATOM 820 C GLN A 56 4.879 22.448 4.742 1.00 0.00 C ATOM 821 O GLN A 56 4.865 21.286 5.146 1.00 0.00 O ATOM 822 CB GLN A 56 4.595 24.430 6.242 1.00 0.00 C ATOM 823 CG GLN A 56 5.228 25.384 7.242 1.00 0.00 C ATOM 824 CD GLN A 56 5.757 24.673 8.472 1.00 0.00 C ATOM 825 OE1 GLN A 56 5.389 23.532 8.750 1.00 0.00 O ATOM 826 NE2 GLN A 56 6.626 25.346 9.217 1.00 0.00 N ATOM 0 H GLN A 56 6.476 25.331 4.866 1.00 0.00 H new ATOM 0 HA GLN A 56 6.251 23.062 6.262 1.00 0.00 H new ATOM 0 HB2 GLN A 56 4.041 25.008 5.502 1.00 0.00 H new ATOM 0 HB3 GLN A 56 3.872 23.800 6.761 1.00 0.00 H new ATOM 0 HG2 GLN A 56 6.044 25.922 6.759 1.00 0.00 H new ATOM 0 HG3 GLN A 56 4.491 26.128 7.546 1.00 0.00 H new ATOM 0 HE21 GLN A 56 6.904 26.290 8.949 1.00 0.00 H new ATOM 0 HE22 GLN A 56 7.016 24.919 10.057 1.00 0.00 H new ATOM 835 N ALA A 57 4.273 22.832 3.623 1.00 0.00 N ATOM 836 CA ALA A 57 3.544 21.888 2.786 1.00 0.00 C ATOM 837 C ALA A 57 4.413 20.688 2.427 1.00 0.00 C ATOM 838 O ALA A 57 4.048 19.542 2.692 1.00 0.00 O ATOM 839 CB ALA A 57 3.044 22.577 1.525 1.00 0.00 C ATOM 0 H ALA A 57 4.273 23.791 3.275 1.00 0.00 H new ATOM 0 HA ALA A 57 2.686 21.525 3.352 1.00 0.00 H new ATOM 0 HB1 ALA A 57 2.501 21.860 0.909 1.00 0.00 H new ATOM 0 HB2 ALA A 57 2.380 23.397 1.797 1.00 0.00 H new ATOM 0 HB3 ALA A 57 3.892 22.968 0.964 1.00 0.00 H new ATOM 845 N HIS A 58 5.565 20.958 1.821 1.00 0.00 N ATOM 846 CA HIS A 58 6.487 19.899 1.425 1.00 0.00 C ATOM 847 C HIS A 58 6.719 18.923 2.574 1.00 0.00 C ATOM 848 O HIS A 58 6.859 17.718 2.360 1.00 0.00 O ATOM 849 CB HIS A 58 7.819 20.497 0.971 1.00 0.00 C ATOM 850 CG HIS A 58 8.893 19.475 0.760 1.00 0.00 C ATOM 851 ND1 HIS A 58 9.389 18.684 1.775 1.00 0.00 N ATOM 852 CD2 HIS A 58 9.566 19.116 -0.358 1.00 0.00 C ATOM 853 CE1 HIS A 58 10.322 17.884 1.291 1.00 0.00 C ATOM 854 NE2 HIS A 58 10.448 18.125 -0.001 1.00 0.00 N ATOM 0 H HIS A 58 5.882 21.900 1.594 1.00 0.00 H new ATOM 0 HA HIS A 58 6.040 19.354 0.594 1.00 0.00 H new ATOM 0 HB2 HIS A 58 7.664 21.046 0.042 1.00 0.00 H new ATOM 0 HB3 HIS A 58 8.156 21.218 1.715 1.00 0.00 H new ATOM 0 HD2 HIS A 58 9.434 19.531 -1.346 1.00 0.00 H new ATOM 0 HE1 HIS A 58 10.886 17.157 1.856 1.00 0.00 H new ATOM 0 HE2 HIS A 58 11.095 17.652 -0.632 1.00 0.00 H new ATOM 863 N LEU A 59 6.760 19.450 3.793 1.00 0.00 N ATOM 864 CA LEU A 59 6.977 18.625 4.976 1.00 0.00 C ATOM 865 C LEU A 59 5.842 17.622 5.156 1.00 0.00 C ATOM 866 O LEU A 59 6.068 16.412 5.180 1.00 0.00 O ATOM 867 CB LEU A 59 7.095 19.506 6.221 1.00 0.00 C ATOM 868 CG LEU A 59 7.854 20.822 6.043 1.00 0.00 C ATOM 869 CD1 LEU A 59 8.027 21.523 7.381 1.00 0.00 C ATOM 870 CD2 LEU A 59 9.206 20.573 5.390 1.00 0.00 C ATOM 0 H LEU A 59 6.646 20.445 3.988 1.00 0.00 H new ATOM 0 HA LEU A 59 7.907 18.073 4.838 1.00 0.00 H new ATOM 0 HB2 LEU A 59 6.090 19.735 6.576 1.00 0.00 H new ATOM 0 HB3 LEU A 59 7.587 18.929 7.004 1.00 0.00 H new ATOM 0 HG LEU A 59 7.271 21.471 5.389 1.00 0.00 H new ATOM 0 HD11 LEU A 59 8.569 22.457 7.235 1.00 0.00 H new ATOM 0 HD12 LEU A 59 7.048 21.735 7.810 1.00 0.00 H new ATOM 0 HD13 LEU A 59 8.589 20.880 8.059 1.00 0.00 H new ATOM 0 HD21 LEU A 59 9.732 21.520 5.271 1.00 0.00 H new ATOM 0 HD22 LEU A 59 9.796 19.906 6.018 1.00 0.00 H new ATOM 0 HD23 LEU A 59 9.059 20.114 4.412 1.00 0.00 H new ATOM 882 N SER A 60 4.621 18.132 5.278 1.00 0.00 N ATOM 883 CA SER A 60 3.451 17.281 5.457 1.00 0.00 C ATOM 884 C SER A 60 3.465 16.123 4.463 1.00 0.00 C ATOM 885 O SER A 60 2.872 15.072 4.709 1.00 0.00 O ATOM 886 CB SER A 60 2.169 18.098 5.287 1.00 0.00 C ATOM 887 OG SER A 60 1.949 18.941 6.405 1.00 0.00 O ATOM 0 H SER A 60 4.416 19.131 5.256 1.00 0.00 H new ATOM 0 HA SER A 60 3.481 16.871 6.467 1.00 0.00 H new ATOM 0 HB2 SER A 60 2.235 18.700 4.381 1.00 0.00 H new ATOM 0 HB3 SER A 60 1.320 17.426 5.162 1.00 0.00 H new ATOM 0 HG SER A 60 1.125 19.454 6.271 1.00 0.00 H new ATOM 893 N LEU A 61 4.145 16.324 3.340 1.00 0.00 N ATOM 894 CA LEU A 61 4.238 15.298 2.308 1.00 0.00 C ATOM 895 C LEU A 61 5.438 14.388 2.550 1.00 0.00 C ATOM 896 O LEU A 61 5.310 13.164 2.550 1.00 0.00 O ATOM 897 CB LEU A 61 4.346 15.945 0.926 1.00 0.00 C ATOM 898 CG LEU A 61 3.265 16.969 0.578 1.00 0.00 C ATOM 899 CD1 LEU A 61 3.650 17.750 -0.669 1.00 0.00 C ATOM 900 CD2 LEU A 61 1.921 16.281 0.385 1.00 0.00 C ATOM 0 H LEU A 61 4.640 17.188 3.121 1.00 0.00 H new ATOM 0 HA LEU A 61 3.332 14.693 2.350 1.00 0.00 H new ATOM 0 HB2 LEU A 61 5.318 16.432 0.850 1.00 0.00 H new ATOM 0 HB3 LEU A 61 4.326 15.156 0.175 1.00 0.00 H new ATOM 0 HG LEU A 61 3.176 17.671 1.408 1.00 0.00 H new ATOM 0 HD11 LEU A 61 2.869 18.474 -0.901 1.00 0.00 H new ATOM 0 HD12 LEU A 61 4.590 18.274 -0.494 1.00 0.00 H new ATOM 0 HD13 LEU A 61 3.768 17.063 -1.507 1.00 0.00 H new ATOM 0 HD21 LEU A 61 1.164 17.025 0.138 1.00 0.00 H new ATOM 0 HD22 LEU A 61 1.996 15.557 -0.426 1.00 0.00 H new ATOM 0 HD23 LEU A 61 1.639 15.768 1.305 1.00 0.00 H new ATOM 912 N GLU A 62 6.602 14.994 2.759 1.00 0.00 N ATOM 913 CA GLU A 62 7.824 14.237 3.005 1.00 0.00 C ATOM 914 C GLU A 62 7.656 13.306 4.202 1.00 0.00 C ATOM 915 O GLU A 62 8.334 12.284 4.308 1.00 0.00 O ATOM 916 CB GLU A 62 8.999 15.187 3.245 1.00 0.00 C ATOM 917 CG GLU A 62 9.180 15.575 4.702 1.00 0.00 C ATOM 918 CD GLU A 62 10.406 16.439 4.928 1.00 0.00 C ATOM 919 OE1 GLU A 62 11.481 16.093 4.396 1.00 0.00 O ATOM 920 OE2 GLU A 62 10.290 17.461 5.637 1.00 0.00 O ATOM 0 H GLU A 62 6.725 16.007 2.763 1.00 0.00 H new ATOM 0 HA GLU A 62 8.030 13.632 2.122 1.00 0.00 H new ATOM 0 HB2 GLU A 62 9.915 14.717 2.887 1.00 0.00 H new ATOM 0 HB3 GLU A 62 8.852 16.090 2.653 1.00 0.00 H new ATOM 0 HG2 GLU A 62 8.295 16.111 5.044 1.00 0.00 H new ATOM 0 HG3 GLU A 62 9.260 14.672 5.307 1.00 0.00 H new ATOM 927 N LEU A 63 6.748 13.668 5.102 1.00 0.00 N ATOM 928 CA LEU A 63 6.490 12.866 6.293 1.00 0.00 C ATOM 929 C LEU A 63 5.429 11.806 6.016 1.00 0.00 C ATOM 930 O LEU A 63 5.618 10.630 6.325 1.00 0.00 O ATOM 931 CB LEU A 63 6.042 13.763 7.449 1.00 0.00 C ATOM 932 CG LEU A 63 7.132 14.618 8.096 1.00 0.00 C ATOM 933 CD1 LEU A 63 6.518 15.653 9.025 1.00 0.00 C ATOM 934 CD2 LEU A 63 8.120 13.741 8.851 1.00 0.00 C ATOM 0 H LEU A 63 6.179 14.511 5.030 1.00 0.00 H new ATOM 0 HA LEU A 63 7.416 12.363 6.570 1.00 0.00 H new ATOM 0 HB2 LEU A 63 5.257 14.425 7.085 1.00 0.00 H new ATOM 0 HB3 LEU A 63 5.597 13.134 8.219 1.00 0.00 H new ATOM 0 HG LEU A 63 7.671 15.142 7.307 1.00 0.00 H new ATOM 0 HD11 LEU A 63 7.309 16.252 9.476 1.00 0.00 H new ATOM 0 HD12 LEU A 63 5.851 16.302 8.457 1.00 0.00 H new ATOM 0 HD13 LEU A 63 5.953 15.149 9.809 1.00 0.00 H new ATOM 0 HD21 LEU A 63 8.889 14.366 9.305 1.00 0.00 H new ATOM 0 HD22 LEU A 63 7.595 13.189 9.630 1.00 0.00 H new ATOM 0 HD23 LEU A 63 8.585 13.039 8.159 1.00 0.00 H new ATOM 946 N GLN A 64 4.314 12.231 5.431 1.00 0.00 N ATOM 947 CA GLN A 64 3.223 11.318 5.111 1.00 0.00 C ATOM 948 C GLN A 64 3.691 10.225 4.155 1.00 0.00 C ATOM 949 O GLN A 64 3.150 9.119 4.150 1.00 0.00 O ATOM 950 CB GLN A 64 2.051 12.084 4.495 1.00 0.00 C ATOM 951 CG GLN A 64 0.725 11.347 4.590 1.00 0.00 C ATOM 952 CD GLN A 64 0.288 11.114 6.023 1.00 0.00 C ATOM 953 OE1 GLN A 64 0.879 10.306 6.740 1.00 0.00 O ATOM 954 NE2 GLN A 64 -0.752 11.822 6.447 1.00 0.00 N ATOM 0 H GLN A 64 4.142 13.202 5.169 1.00 0.00 H new ATOM 0 HA GLN A 64 2.893 10.848 6.038 1.00 0.00 H new ATOM 0 HB2 GLN A 64 1.957 13.049 4.993 1.00 0.00 H new ATOM 0 HB3 GLN A 64 2.271 12.286 3.447 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -0.042 11.919 4.069 1.00 0.00 H new ATOM 0 HG3 GLN A 64 0.809 10.388 4.079 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -1.211 12.480 5.818 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -1.092 11.708 7.402 1.00 0.00 H new ATOM 963 N ARG A 65 4.697 10.544 3.348 1.00 0.00 N ATOM 964 CA ARG A 65 5.236 9.590 2.386 1.00 0.00 C ATOM 965 C ARG A 65 5.926 8.430 3.099 1.00 0.00 C ATOM 966 O ARG A 65 5.750 7.269 2.730 1.00 0.00 O ATOM 967 CB ARG A 65 6.223 10.284 1.445 1.00 0.00 C ATOM 968 CG ARG A 65 6.678 9.410 0.288 1.00 0.00 C ATOM 969 CD ARG A 65 7.111 10.247 -0.905 1.00 0.00 C ATOM 970 NE ARG A 65 8.483 10.728 -0.768 1.00 0.00 N ATOM 971 CZ ARG A 65 9.552 9.956 -0.933 1.00 0.00 C ATOM 972 NH1 ARG A 65 9.407 8.674 -1.240 1.00 0.00 N ATOM 973 NH2 ARG A 65 10.769 10.466 -0.791 1.00 0.00 N ATOM 0 H ARG A 65 5.155 11.455 3.341 1.00 0.00 H new ATOM 0 HA ARG A 65 4.406 9.193 1.802 1.00 0.00 H new ATOM 0 HB2 ARG A 65 5.759 11.187 1.047 1.00 0.00 H new ATOM 0 HB3 ARG A 65 7.096 10.600 2.016 1.00 0.00 H new ATOM 0 HG2 ARG A 65 7.506 8.779 0.611 1.00 0.00 H new ATOM 0 HG3 ARG A 65 5.867 8.745 -0.008 1.00 0.00 H new ATOM 0 HD2 ARG A 65 7.024 9.653 -1.815 1.00 0.00 H new ATOM 0 HD3 ARG A 65 6.438 11.097 -1.014 1.00 0.00 H new ATOM 0 HE ARG A 65 8.629 11.710 -0.533 1.00 0.00 H new ATOM 0 HH11 ARG A 65 8.473 8.278 -1.350 1.00 0.00 H new ATOM 0 HH12 ARG A 65 10.229 8.084 -1.366 1.00 0.00 H new ATOM 0 HH21 ARG A 65 10.885 11.452 -0.555 1.00 0.00 H new ATOM 0 HH22 ARG A 65 11.589 9.872 -0.918 1.00 0.00 H new ATOM 987 N ASP A 66 6.711 8.754 4.120 1.00 0.00 N ATOM 988 CA ASP A 66 7.427 7.739 4.885 1.00 0.00 C ATOM 989 C ASP A 66 6.546 6.518 5.127 1.00 0.00 C ATOM 990 O ASP A 66 6.942 5.388 4.841 1.00 0.00 O ATOM 991 CB ASP A 66 7.899 8.316 6.221 1.00 0.00 C ATOM 992 CG ASP A 66 8.299 7.238 7.208 1.00 0.00 C ATOM 993 OD1 ASP A 66 9.445 6.749 7.120 1.00 0.00 O ATOM 994 OD2 ASP A 66 7.467 6.881 8.069 1.00 0.00 O ATOM 0 H ASP A 66 6.868 9.711 4.437 1.00 0.00 H new ATOM 0 HA ASP A 66 8.296 7.428 4.305 1.00 0.00 H new ATOM 0 HB2 ASP A 66 8.747 8.979 6.048 1.00 0.00 H new ATOM 0 HB3 ASP A 66 7.103 8.923 6.653 1.00 0.00 H new ATOM 999 N SER A 67 5.350 6.753 5.657 1.00 0.00 N ATOM 1000 CA SER A 67 4.414 5.672 5.942 1.00 0.00 C ATOM 1001 C SER A 67 3.924 5.023 4.651 1.00 0.00 C ATOM 1002 O SER A 67 4.005 3.805 4.485 1.00 0.00 O ATOM 1003 CB SER A 67 3.223 6.198 6.746 1.00 0.00 C ATOM 1004 OG SER A 67 2.541 7.218 6.037 1.00 0.00 O ATOM 0 H SER A 67 5.006 7.683 5.898 1.00 0.00 H new ATOM 0 HA SER A 67 4.936 4.919 6.531 1.00 0.00 H new ATOM 0 HB2 SER A 67 2.536 5.380 6.963 1.00 0.00 H new ATOM 0 HB3 SER A 67 3.569 6.586 7.704 1.00 0.00 H new ATOM 0 HG SER A 67 3.187 7.748 5.525 1.00 0.00 H new ATOM 1010 N HIS A 68 3.415 5.845 3.739 1.00 0.00 N ATOM 1011 CA HIS A 68 2.912 5.352 2.462 1.00 0.00 C ATOM 1012 C HIS A 68 3.851 4.301 1.877 1.00 0.00 C ATOM 1013 O HIS A 68 3.429 3.439 1.107 1.00 0.00 O ATOM 1014 CB HIS A 68 2.745 6.508 1.475 1.00 0.00 C ATOM 1015 CG HIS A 68 1.448 7.242 1.627 1.00 0.00 C ATOM 1016 ND1 HIS A 68 1.194 8.535 1.938 1.00 0.00 N flip ATOM 1017 CD2 HIS A 68 0.219 6.642 1.455 1.00 0.00 C flip ATOM 1018 CE1 HIS A 68 -0.171 8.690 1.947 1.00 0.00 C flip ATOM 1019 NE2 HIS A 68 -0.735 7.533 1.652 1.00 0.00 N flip ATOM 0 H HIS A 68 3.340 6.855 3.860 1.00 0.00 H new ATOM 0 HA HIS A 68 1.941 4.889 2.637 1.00 0.00 H new ATOM 0 HB2 HIS A 68 3.568 7.210 1.608 1.00 0.00 H new ATOM 0 HB3 HIS A 68 2.817 6.121 0.459 1.00 0.00 H new ATOM 0 HD1 HIS A 68 1.887 9.259 2.130 1.00 0.00 H new ATOM 0 HD2 HIS A 68 0.061 5.605 1.199 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -0.697 9.609 2.161 1.00 0.00 H new ATOM 1028 N MET A 69 5.124 4.380 2.249 1.00 0.00 N ATOM 1029 CA MET A 69 6.122 3.434 1.761 1.00 0.00 C ATOM 1030 C MET A 69 6.351 2.316 2.773 1.00 0.00 C ATOM 1031 O MET A 69 6.459 1.145 2.406 1.00 0.00 O ATOM 1032 CB MET A 69 7.440 4.155 1.472 1.00 0.00 C ATOM 1033 CG MET A 69 7.491 4.800 0.096 1.00 0.00 C ATOM 1034 SD MET A 69 7.429 3.591 -1.240 1.00 0.00 S ATOM 1035 CE MET A 69 8.734 2.469 -0.743 1.00 0.00 C ATOM 0 H MET A 69 5.489 5.088 2.886 1.00 0.00 H new ATOM 0 HA MET A 69 5.748 2.993 0.837 1.00 0.00 H new ATOM 0 HB2 MET A 69 7.599 4.922 2.230 1.00 0.00 H new ATOM 0 HB3 MET A 69 8.261 3.444 1.561 1.00 0.00 H new ATOM 0 HG2 MET A 69 6.656 5.493 -0.007 1.00 0.00 H new ATOM 0 HG3 MET A 69 8.405 5.387 0.008 1.00 0.00 H new ATOM 0 HE1 MET A 69 9.099 1.926 -1.615 1.00 0.00 H new ATOM 0 HE2 MET A 69 9.552 3.036 -0.300 1.00 0.00 H new ATOM 0 HE3 MET A 69 8.346 1.761 -0.011 1.00 0.00 H new ATOM 1045 N LYS A 70 6.426 2.684 4.048 1.00 0.00 N ATOM 1046 CA LYS A 70 6.641 1.712 5.113 1.00 0.00 C ATOM 1047 C LYS A 70 5.715 0.512 4.951 1.00 0.00 C ATOM 1048 O LYS A 70 6.121 -0.630 5.163 1.00 0.00 O ATOM 1049 CB LYS A 70 6.415 2.364 6.479 1.00 0.00 C ATOM 1050 CG LYS A 70 5.001 2.193 7.008 1.00 0.00 C ATOM 1051 CD LYS A 70 4.846 2.803 8.391 1.00 0.00 C ATOM 1052 CE LYS A 70 3.591 2.295 9.086 1.00 0.00 C ATOM 1053 NZ LYS A 70 3.811 0.970 9.728 1.00 0.00 N ATOM 0 H LYS A 70 6.341 3.649 4.368 1.00 0.00 H new ATOM 0 HA LYS A 70 7.672 1.363 5.049 1.00 0.00 H new ATOM 0 HB2 LYS A 70 7.116 1.938 7.196 1.00 0.00 H new ATOM 0 HB3 LYS A 70 6.641 3.428 6.406 1.00 0.00 H new ATOM 0 HG2 LYS A 70 4.296 2.661 6.322 1.00 0.00 H new ATOM 0 HG3 LYS A 70 4.752 1.133 7.047 1.00 0.00 H new ATOM 0 HD2 LYS A 70 5.721 2.563 8.996 1.00 0.00 H new ATOM 0 HD3 LYS A 70 4.803 3.889 8.308 1.00 0.00 H new ATOM 0 HE2 LYS A 70 3.276 3.016 9.840 1.00 0.00 H new ATOM 0 HE3 LYS A 70 2.781 2.217 8.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 2.909 0.456 9.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 4.491 0.420 9.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 4.188 1.107 10.688 1.00 0.00 H new ATOM 1067 N GLN A 71 4.469 0.778 4.572 1.00 0.00 N ATOM 1068 CA GLN A 71 3.485 -0.281 4.381 1.00 0.00 C ATOM 1069 C GLN A 71 3.822 -1.121 3.153 1.00 0.00 C ATOM 1070 O GLN A 71 3.690 -2.345 3.171 1.00 0.00 O ATOM 1071 CB GLN A 71 2.084 0.315 4.238 1.00 0.00 C ATOM 1072 CG GLN A 71 1.399 0.586 5.568 1.00 0.00 C ATOM 1073 CD GLN A 71 1.118 -0.683 6.348 1.00 0.00 C ATOM 1074 OE1 GLN A 71 0.380 -1.556 5.892 1.00 0.00 O ATOM 1075 NE2 GLN A 71 1.707 -0.792 7.534 1.00 0.00 N ATOM 0 H GLN A 71 4.117 1.718 4.391 1.00 0.00 H new ATOM 0 HA GLN A 71 3.508 -0.927 5.258 1.00 0.00 H new ATOM 0 HB2 GLN A 71 2.150 1.247 3.676 1.00 0.00 H new ATOM 0 HB3 GLN A 71 1.466 -0.366 3.653 1.00 0.00 H new ATOM 0 HG2 GLN A 71 2.026 1.245 6.168 1.00 0.00 H new ATOM 0 HG3 GLN A 71 0.462 1.113 5.389 1.00 0.00 H new ATOM 0 HE21 GLN A 71 2.311 -0.044 7.874 1.00 0.00 H new ATOM 0 HE22 GLN A 71 1.555 -1.624 8.105 1.00 0.00 H new ATOM 1084 N LEU A 72 4.257 -0.456 2.089 1.00 0.00 N ATOM 1085 CA LEU A 72 4.612 -1.141 0.851 1.00 0.00 C ATOM 1086 C LEU A 72 5.653 -2.226 1.109 1.00 0.00 C ATOM 1087 O LEU A 72 5.536 -3.345 0.607 1.00 0.00 O ATOM 1088 CB LEU A 72 5.146 -0.139 -0.174 1.00 0.00 C ATOM 1089 CG LEU A 72 6.024 -0.718 -1.284 1.00 0.00 C ATOM 1090 CD1 LEU A 72 5.265 -1.779 -2.066 1.00 0.00 C ATOM 1091 CD2 LEU A 72 6.508 0.386 -2.213 1.00 0.00 C ATOM 0 H LEU A 72 4.372 0.557 2.058 1.00 0.00 H new ATOM 0 HA LEU A 72 3.713 -1.613 0.454 1.00 0.00 H new ATOM 0 HB2 LEU A 72 4.297 0.365 -0.636 1.00 0.00 H new ATOM 0 HB3 LEU A 72 5.719 0.622 0.356 1.00 0.00 H new ATOM 0 HG LEU A 72 6.894 -1.186 -0.825 1.00 0.00 H new ATOM 0 HD11 LEU A 72 5.906 -2.180 -2.852 1.00 0.00 H new ATOM 0 HD12 LEU A 72 4.969 -2.584 -1.394 1.00 0.00 H new ATOM 0 HD13 LEU A 72 4.376 -1.335 -2.514 1.00 0.00 H new ATOM 0 HD21 LEU A 72 7.131 -0.045 -2.996 1.00 0.00 H new ATOM 0 HD22 LEU A 72 5.650 0.884 -2.665 1.00 0.00 H new ATOM 0 HD23 LEU A 72 7.090 1.111 -1.644 1.00 0.00 H new ATOM 1103 N LEU A 73 6.669 -1.889 1.895 1.00 0.00 N ATOM 1104 CA LEU A 73 7.730 -2.835 2.222 1.00 0.00 C ATOM 1105 C LEU A 73 7.232 -3.896 3.198 1.00 0.00 C ATOM 1106 O LEU A 73 7.569 -5.074 3.077 1.00 0.00 O ATOM 1107 CB LEU A 73 8.930 -2.099 2.820 1.00 0.00 C ATOM 1108 CG LEU A 73 9.340 -0.803 2.120 1.00 0.00 C ATOM 1109 CD1 LEU A 73 10.602 -0.233 2.748 1.00 0.00 C ATOM 1110 CD2 LEU A 73 9.546 -1.044 0.631 1.00 0.00 C ATOM 0 H LEU A 73 6.781 -0.968 2.318 1.00 0.00 H new ATOM 0 HA LEU A 73 8.037 -3.331 1.301 1.00 0.00 H new ATOM 0 HB2 LEU A 73 8.708 -1.871 3.862 1.00 0.00 H new ATOM 0 HB3 LEU A 73 9.784 -2.776 2.817 1.00 0.00 H new ATOM 0 HG LEU A 73 8.537 -0.076 2.243 1.00 0.00 H new ATOM 0 HD11 LEU A 73 10.878 0.689 2.237 1.00 0.00 H new ATOM 0 HD12 LEU A 73 10.421 -0.023 3.802 1.00 0.00 H new ATOM 0 HD13 LEU A 73 11.413 -0.956 2.656 1.00 0.00 H new ATOM 0 HD21 LEU A 73 9.837 -0.111 0.148 1.00 0.00 H new ATOM 0 HD22 LEU A 73 10.330 -1.787 0.488 1.00 0.00 H new ATOM 0 HD23 LEU A 73 8.618 -1.407 0.189 1.00 0.00 H new ATOM 1122 N LEU A 74 6.425 -3.471 4.165 1.00 0.00 N ATOM 1123 CA LEU A 74 5.877 -4.385 5.161 1.00 0.00 C ATOM 1124 C LEU A 74 5.022 -5.462 4.501 1.00 0.00 C ATOM 1125 O LEU A 74 4.951 -6.593 4.982 1.00 0.00 O ATOM 1126 CB LEU A 74 5.045 -3.614 6.186 1.00 0.00 C ATOM 1127 CG LEU A 74 5.821 -2.974 7.338 1.00 0.00 C ATOM 1128 CD1 LEU A 74 4.928 -2.026 8.123 1.00 0.00 C ATOM 1129 CD2 LEU A 74 6.398 -4.045 8.252 1.00 0.00 C ATOM 0 H LEU A 74 6.136 -2.500 4.280 1.00 0.00 H new ATOM 0 HA LEU A 74 6.710 -4.870 5.670 1.00 0.00 H new ATOM 0 HB2 LEU A 74 4.498 -2.829 5.663 1.00 0.00 H new ATOM 0 HB3 LEU A 74 4.304 -4.293 6.607 1.00 0.00 H new ATOM 0 HG LEU A 74 6.646 -2.399 6.919 1.00 0.00 H new ATOM 0 HD11 LEU A 74 5.498 -1.581 8.938 1.00 0.00 H new ATOM 0 HD12 LEU A 74 4.563 -1.239 7.463 1.00 0.00 H new ATOM 0 HD13 LEU A 74 4.081 -2.578 8.531 1.00 0.00 H new ATOM 0 HD21 LEU A 74 6.947 -3.572 9.066 1.00 0.00 H new ATOM 0 HD22 LEU A 74 5.588 -4.648 8.663 1.00 0.00 H new ATOM 0 HD23 LEU A 74 7.073 -4.684 7.683 1.00 0.00 H new ATOM 1141 N ILE A 75 4.377 -5.103 3.396 1.00 0.00 N ATOM 1142 CA ILE A 75 3.530 -6.039 2.668 1.00 0.00 C ATOM 1143 C ILE A 75 4.357 -6.917 1.735 1.00 0.00 C ATOM 1144 O ILE A 75 4.138 -8.125 1.648 1.00 0.00 O ATOM 1145 CB ILE A 75 2.456 -5.304 1.845 1.00 0.00 C ATOM 1146 CG1 ILE A 75 1.517 -4.526 2.770 1.00 0.00 C ATOM 1147 CG2 ILE A 75 1.672 -6.292 0.995 1.00 0.00 C ATOM 1148 CD1 ILE A 75 0.766 -3.414 2.073 1.00 0.00 C ATOM 0 H ILE A 75 4.425 -4.170 2.986 1.00 0.00 H new ATOM 0 HA ILE A 75 3.039 -6.665 3.413 1.00 0.00 H new ATOM 0 HB ILE A 75 2.950 -4.595 1.181 1.00 0.00 H new ATOM 0 HG12 ILE A 75 0.799 -5.218 3.210 1.00 0.00 H new ATOM 0 HG13 ILE A 75 2.097 -4.103 3.590 1.00 0.00 H new ATOM 0 HG21 ILE A 75 0.917 -5.757 0.419 1.00 0.00 H new ATOM 0 HG22 ILE A 75 2.351 -6.805 0.314 1.00 0.00 H new ATOM 0 HG23 ILE A 75 1.186 -7.022 1.642 1.00 0.00 H new ATOM 0 HD11 ILE A 75 0.120 -2.906 2.789 1.00 0.00 H new ATOM 0 HD12 ILE A 75 1.477 -2.701 1.656 1.00 0.00 H new ATOM 0 HD13 ILE A 75 0.159 -3.832 1.270 1.00 0.00 H new ATOM 1160 N GLN A 76 5.308 -6.302 1.040 1.00 0.00 N ATOM 1161 CA GLN A 76 6.168 -7.028 0.114 1.00 0.00 C ATOM 1162 C GLN A 76 6.869 -8.186 0.817 1.00 0.00 C ATOM 1163 O GLN A 76 7.035 -9.262 0.244 1.00 0.00 O ATOM 1164 CB GLN A 76 7.205 -6.085 -0.499 1.00 0.00 C ATOM 1165 CG GLN A 76 6.675 -5.278 -1.673 1.00 0.00 C ATOM 1166 CD GLN A 76 7.760 -4.482 -2.371 1.00 0.00 C ATOM 1167 OE1 GLN A 76 8.306 -4.913 -3.388 1.00 0.00 O ATOM 1168 NE2 GLN A 76 8.079 -3.313 -1.829 1.00 0.00 N ATOM 0 H GLN A 76 5.502 -5.303 1.101 1.00 0.00 H new ATOM 0 HA GLN A 76 5.542 -7.434 -0.681 1.00 0.00 H new ATOM 0 HB2 GLN A 76 7.561 -5.400 0.271 1.00 0.00 H new ATOM 0 HB3 GLN A 76 8.065 -6.669 -0.829 1.00 0.00 H new ATOM 0 HG2 GLN A 76 6.206 -5.952 -2.390 1.00 0.00 H new ATOM 0 HG3 GLN A 76 5.900 -4.597 -1.321 1.00 0.00 H new ATOM 0 HE21 GLN A 76 7.601 -2.994 -0.986 1.00 0.00 H new ATOM 0 HE22 GLN A 76 8.802 -2.733 -2.256 1.00 0.00 H new ATOM 1177 N GLU A 77 7.279 -7.957 2.060 1.00 0.00 N ATOM 1178 CA GLU A 77 7.963 -8.982 2.840 1.00 0.00 C ATOM 1179 C GLU A 77 6.977 -10.034 3.340 1.00 0.00 C ATOM 1180 O GLU A 77 7.310 -11.215 3.436 1.00 0.00 O ATOM 1181 CB GLU A 77 8.695 -8.349 4.025 1.00 0.00 C ATOM 1182 CG GLU A 77 7.788 -8.037 5.204 1.00 0.00 C ATOM 1183 CD GLU A 77 8.563 -7.661 6.452 1.00 0.00 C ATOM 1184 OE1 GLU A 77 9.476 -6.815 6.352 1.00 0.00 O ATOM 1185 OE2 GLU A 77 8.255 -8.213 7.529 1.00 0.00 O ATOM 0 H GLU A 77 7.150 -7.071 2.549 1.00 0.00 H new ATOM 0 HA GLU A 77 8.691 -9.470 2.192 1.00 0.00 H new ATOM 0 HB2 GLU A 77 9.486 -9.022 4.354 1.00 0.00 H new ATOM 0 HB3 GLU A 77 9.177 -7.429 3.694 1.00 0.00 H new ATOM 0 HG2 GLU A 77 7.119 -7.219 4.936 1.00 0.00 H new ATOM 0 HG3 GLU A 77 7.163 -8.904 5.416 1.00 0.00 H new ATOM 1192 N ARG A 78 5.763 -9.595 3.656 1.00 0.00 N ATOM 1193 CA ARG A 78 4.729 -10.498 4.148 1.00 0.00 C ATOM 1194 C ARG A 78 4.201 -11.384 3.023 1.00 0.00 C ATOM 1195 O ARG A 78 3.513 -12.374 3.271 1.00 0.00 O ATOM 1196 CB ARG A 78 3.579 -9.701 4.767 1.00 0.00 C ATOM 1197 CG ARG A 78 3.931 -9.060 6.099 1.00 0.00 C ATOM 1198 CD ARG A 78 4.053 -10.100 7.203 1.00 0.00 C ATOM 1199 NE ARG A 78 2.768 -10.374 7.841 1.00 0.00 N ATOM 1200 CZ ARG A 78 2.645 -11.011 9.000 1.00 0.00 C ATOM 1201 NH1 ARG A 78 3.722 -11.436 9.645 1.00 0.00 N ATOM 1202 NH2 ARG A 78 1.441 -11.223 9.517 1.00 0.00 N ATOM 0 H ARG A 78 5.471 -8.621 3.580 1.00 0.00 H new ATOM 0 HA ARG A 78 5.172 -11.136 4.912 1.00 0.00 H new ATOM 0 HB2 ARG A 78 3.270 -8.923 4.069 1.00 0.00 H new ATOM 0 HB3 ARG A 78 2.723 -10.362 4.906 1.00 0.00 H new ATOM 0 HG2 ARG A 78 4.871 -8.516 6.005 1.00 0.00 H new ATOM 0 HG3 ARG A 78 3.166 -8.331 6.367 1.00 0.00 H new ATOM 0 HD2 ARG A 78 4.456 -11.024 6.788 1.00 0.00 H new ATOM 0 HD3 ARG A 78 4.763 -9.751 7.953 1.00 0.00 H new ATOM 0 HE ARG A 78 1.919 -10.059 7.371 1.00 0.00 H new ATOM 0 HH11 ARG A 78 4.649 -11.274 9.252 1.00 0.00 H new ATOM 0 HH12 ARG A 78 3.624 -11.925 10.535 1.00 0.00 H new ATOM 0 HH21 ARG A 78 0.610 -10.897 9.024 1.00 0.00 H new ATOM 0 HH22 ARG A 78 1.347 -11.712 10.407 1.00 0.00 H new ATOM 1216 N TRP A 79 4.527 -11.020 1.788 1.00 0.00 N ATOM 1217 CA TRP A 79 4.085 -11.781 0.625 1.00 0.00 C ATOM 1218 C TRP A 79 5.120 -12.830 0.236 1.00 0.00 C ATOM 1219 O TRP A 79 4.841 -14.030 0.254 1.00 0.00 O ATOM 1220 CB TRP A 79 3.823 -10.843 -0.554 1.00 0.00 C ATOM 1221 CG TRP A 79 2.988 -11.465 -1.633 1.00 0.00 C ATOM 1222 CD1 TRP A 79 2.057 -12.453 -1.483 1.00 0.00 C ATOM 1223 CD2 TRP A 79 3.011 -11.141 -3.028 1.00 0.00 C ATOM 1224 NE1 TRP A 79 1.500 -12.763 -2.700 1.00 0.00 N ATOM 1225 CE2 TRP A 79 2.067 -11.972 -3.663 1.00 0.00 C ATOM 1226 CE3 TRP A 79 3.735 -10.230 -3.801 1.00 0.00 C ATOM 1227 CZ2 TRP A 79 1.832 -11.917 -5.035 1.00 0.00 C ATOM 1228 CZ3 TRP A 79 3.501 -10.177 -5.162 1.00 0.00 C ATOM 1229 CH2 TRP A 79 2.556 -11.015 -5.767 1.00 0.00 C ATOM 0 H TRP A 79 5.096 -10.203 1.566 1.00 0.00 H new ATOM 0 HA TRP A 79 3.158 -12.292 0.886 1.00 0.00 H new ATOM 0 HB2 TRP A 79 3.324 -9.945 -0.191 1.00 0.00 H new ATOM 0 HB3 TRP A 79 4.777 -10.529 -0.978 1.00 0.00 H new ATOM 0 HD1 TRP A 79 1.797 -12.922 -0.545 1.00 0.00 H new ATOM 0 HE1 TRP A 79 0.781 -13.468 -2.860 1.00 0.00 H new ATOM 0 HE3 TRP A 79 4.465 -9.579 -3.343 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 1.105 -12.563 -5.504 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 4.056 -9.478 -5.769 1.00 0.00 H new ATOM 0 HH2 TRP A 79 2.395 -10.948 -6.833 1.00 0.00 H new ATOM 1240 N LYS A 80 6.317 -12.373 -0.116 1.00 0.00 N ATOM 1241 CA LYS A 80 7.395 -13.272 -0.509 1.00 0.00 C ATOM 1242 C LYS A 80 7.523 -14.430 0.476 1.00 0.00 C ATOM 1243 O LYS A 80 7.927 -15.532 0.103 1.00 0.00 O ATOM 1244 CB LYS A 80 8.719 -12.509 -0.590 1.00 0.00 C ATOM 1245 CG LYS A 80 9.170 -11.930 0.740 1.00 0.00 C ATOM 1246 CD LYS A 80 10.683 -11.811 0.813 1.00 0.00 C ATOM 1247 CE LYS A 80 11.165 -11.697 2.251 1.00 0.00 C ATOM 1248 NZ LYS A 80 11.228 -10.280 2.704 1.00 0.00 N ATOM 0 H LYS A 80 6.565 -11.384 -0.137 1.00 0.00 H new ATOM 0 HA LYS A 80 7.156 -13.678 -1.492 1.00 0.00 H new ATOM 0 HB2 LYS A 80 9.492 -13.179 -0.966 1.00 0.00 H new ATOM 0 HB3 LYS A 80 8.619 -11.700 -1.314 1.00 0.00 H new ATOM 0 HG2 LYS A 80 8.720 -10.947 0.881 1.00 0.00 H new ATOM 0 HG3 LYS A 80 8.814 -12.563 1.553 1.00 0.00 H new ATOM 0 HD2 LYS A 80 11.140 -12.682 0.343 1.00 0.00 H new ATOM 0 HD3 LYS A 80 11.008 -10.937 0.249 1.00 0.00 H new ATOM 0 HE2 LYS A 80 10.496 -12.258 2.904 1.00 0.00 H new ATOM 0 HE3 LYS A 80 12.152 -12.151 2.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 10.859 -10.209 3.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 12.215 -9.953 2.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 10.654 -9.687 2.071 1.00 0.00 H new ATOM 1262 N ARG A 81 7.176 -14.174 1.732 1.00 0.00 N ATOM 1263 CA ARG A 81 7.252 -15.196 2.770 1.00 0.00 C ATOM 1264 C ARG A 81 6.139 -16.226 2.601 1.00 0.00 C ATOM 1265 O ARG A 81 6.362 -17.426 2.752 1.00 0.00 O ATOM 1266 CB ARG A 81 7.162 -14.554 4.155 1.00 0.00 C ATOM 1267 CG ARG A 81 8.467 -13.931 4.624 1.00 0.00 C ATOM 1268 CD ARG A 81 8.439 -13.635 6.115 1.00 0.00 C ATOM 1269 NE ARG A 81 9.775 -13.666 6.705 1.00 0.00 N ATOM 1270 CZ ARG A 81 10.698 -12.738 6.482 1.00 0.00 C ATOM 1271 NH1 ARG A 81 10.432 -11.710 5.688 1.00 0.00 N ATOM 1272 NH2 ARG A 81 11.891 -12.836 7.055 1.00 0.00 N ATOM 0 H ARG A 81 6.839 -13.268 2.057 1.00 0.00 H new ATOM 0 HA ARG A 81 8.211 -15.705 2.675 1.00 0.00 H new ATOM 0 HB2 ARG A 81 6.388 -13.787 4.141 1.00 0.00 H new ATOM 0 HB3 ARG A 81 6.850 -15.309 4.876 1.00 0.00 H new ATOM 0 HG2 ARG A 81 9.294 -14.605 4.401 1.00 0.00 H new ATOM 0 HG3 ARG A 81 8.650 -13.009 4.072 1.00 0.00 H new ATOM 0 HD2 ARG A 81 7.992 -12.655 6.282 1.00 0.00 H new ATOM 0 HD3 ARG A 81 7.804 -14.365 6.617 1.00 0.00 H new ATOM 0 HE ARG A 81 10.012 -14.443 7.322 1.00 0.00 H new ATOM 0 HH11 ARG A 81 9.516 -11.630 5.246 1.00 0.00 H new ATOM 0 HH12 ARG A 81 11.143 -10.999 5.519 1.00 0.00 H new ATOM 0 HH21 ARG A 81 12.099 -13.625 7.667 1.00 0.00 H new ATOM 0 HH22 ARG A 81 12.599 -12.123 6.883 1.00 0.00 H new