USER MOD reduce.3.24.130724 H: found=0, std=0, add=743, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 745 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 34 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 36 SER OG : rot 180:sc= 0.0254 USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 160:sc= -4.01! USER MOD Single : A 11 HIS : no HD1:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 12 GLN : amide:sc= 0.0371 K(o=0.037,f=-7.4!) USER MOD Single : A 15 CYS SG : rot -55:sc= -0.802 USER MOD Single : A 18 ASN : amide:sc= -0.961 K(o=-0.96,f=-2.1!) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 44:sc= 0.321 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ -129:sc= -1.1 (180deg=-4.77!) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN :FLIP amide:sc= -0.986 F(o=-1.6,f=-0.99) USER MOD Single : A 49 LYS NZ :NH3+ -169:sc= -0.0398 (180deg=-0.238) USER MOD Single : A 50 HIS : no HD1:sc= -0.143 K(o=-0.14,f=-1.1) USER MOD Single : A 52 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.0244) USER MOD Single : A 54 GLN :FLIP amide:sc= -0.564 F(o=-2,f=-0.56) USER MOD Single : A 58 ASN : amide:sc= -0.797 X(o=-0.8,f=-0.7) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 CYS SG : rot 31:sc= -1.18 USER MOD Single : A 64 GLN : amide:sc= -1.13 K(o=-1.1,f=-5!) USER MOD Single : A 68 HIS : no HE2:sc= -0.411 K(o=-0.41,f=-3.1!) USER MOD Single : A 69 THR OG1 : rot 70:sc= -3.61! USER MOD Single : A 70 MET CE :methyl -168:sc= -3.15! (180deg=-4.3!) USER MOD Single : A 76 HIS : no HE2:sc= -0.335 K(o=-0.33,f=-3.2!) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 87 HIS : no HD1:sc= -0.427 X(o=-0.43,f=0) USER MOD Single : A 90 LYS NZ :NH3+ -164:sc= -0.0151 (180deg=-0.165) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 GLN : amide:sc= -0.0471 X(o=-0.047,f=0) USER MOD ----------------------------------------------------------------- ATOM 42 N TRP A 3 9.154 4.750 9.188 1.00 0.00 N ATOM 43 CA TRP A 3 8.307 4.024 8.250 1.00 0.00 C ATOM 44 C TRP A 3 7.130 4.883 7.798 1.00 0.00 C ATOM 45 O TRP A 3 6.820 4.953 6.609 1.00 0.00 O ATOM 46 CB TRP A 3 7.793 2.732 8.892 1.00 0.00 C ATOM 47 CG TRP A 3 8.859 1.952 9.601 1.00 0.00 C ATOM 48 CD1 TRP A 3 10.191 1.925 9.303 1.00 0.00 C ATOM 49 CD2 TRP A 3 8.682 1.083 10.727 1.00 0.00 C ATOM 50 NE1 TRP A 3 10.853 1.093 10.174 1.00 0.00 N ATOM 51 CE2 TRP A 3 9.948 0.564 11.057 1.00 0.00 C ATOM 52 CE3 TRP A 3 7.576 0.693 11.487 1.00 0.00 C ATOM 53 CZ2 TRP A 3 10.138 -0.322 12.115 1.00 0.00 C ATOM 54 CZ3 TRP A 3 7.765 -0.186 12.537 1.00 0.00 C ATOM 55 CH2 TRP A 3 9.037 -0.686 12.842 1.00 0.00 C ATOM 0 HA TRP A 3 8.908 3.776 7.375 1.00 0.00 H new ATOM 0 HB2 TRP A 3 7.002 2.977 9.600 1.00 0.00 H new ATOM 0 HB3 TRP A 3 7.347 2.104 8.120 1.00 0.00 H new ATOM 0 HD1 TRP A 3 10.657 2.477 8.500 1.00 0.00 H new ATOM 0 HE1 TRP A 3 11.855 0.901 10.165 1.00 0.00 H new ATOM 0 HE3 TRP A 3 6.591 1.072 11.258 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 11.118 -0.708 12.353 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 6.917 -0.492 13.132 1.00 0.00 H new ATOM 0 HH2 TRP A 3 9.152 -1.373 13.668 1.00 0.00 H new ATOM 66 N TYR A 4 6.476 5.535 8.755 1.00 0.00 N ATOM 67 CA TYR A 4 5.331 6.387 8.453 1.00 0.00 C ATOM 68 C TYR A 4 5.537 7.800 8.993 1.00 0.00 C ATOM 69 O TYR A 4 5.194 8.095 10.138 1.00 0.00 O ATOM 70 CB TYR A 4 4.054 5.783 9.040 1.00 0.00 C ATOM 71 CG TYR A 4 4.115 5.570 10.536 1.00 0.00 C ATOM 72 CD1 TYR A 4 4.907 4.569 11.083 1.00 0.00 C ATOM 73 CD2 TYR A 4 3.379 6.370 11.400 1.00 0.00 C ATOM 74 CE1 TYR A 4 4.965 4.371 12.450 1.00 0.00 C ATOM 75 CE2 TYR A 4 3.431 6.180 12.768 1.00 0.00 C ATOM 76 CZ TYR A 4 4.225 5.179 13.287 1.00 0.00 C ATOM 77 OH TYR A 4 4.280 4.985 14.648 1.00 0.00 O ATOM 0 H TYR A 4 6.719 5.490 9.745 1.00 0.00 H new ATOM 0 HA TYR A 4 5.233 6.448 7.369 1.00 0.00 H new ATOM 0 HB2 TYR A 4 3.213 6.437 8.809 1.00 0.00 H new ATOM 0 HB3 TYR A 4 3.857 4.828 8.553 1.00 0.00 H new ATOM 0 HD1 TYR A 4 5.487 3.935 10.430 1.00 0.00 H new ATOM 0 HD2 TYR A 4 2.755 7.154 10.996 1.00 0.00 H new ATOM 0 HE1 TYR A 4 5.586 3.588 12.860 1.00 0.00 H new ATOM 0 HE2 TYR A 4 2.853 6.812 13.427 1.00 0.00 H new ATOM 0 HH TYR A 4 3.702 5.638 15.095 1.00 0.00 H new ATOM 129 N VAL A 8 5.654 9.283 2.826 1.00 0.00 N ATOM 130 CA VAL A 8 6.145 7.911 2.725 1.00 0.00 C ATOM 131 C VAL A 8 6.662 7.544 1.331 1.00 0.00 C ATOM 132 O VAL A 8 7.181 6.446 1.143 1.00 0.00 O ATOM 133 CB VAL A 8 5.073 6.887 3.152 1.00 0.00 C ATOM 134 CG1 VAL A 8 5.716 5.537 3.439 1.00 0.00 C ATOM 135 CG2 VAL A 8 4.309 7.382 4.372 1.00 0.00 C ATOM 0 HA VAL A 8 6.990 7.867 3.412 1.00 0.00 H new ATOM 0 HB VAL A 8 4.365 6.769 2.332 1.00 0.00 H new ATOM 0 HG11 VAL A 8 4.948 4.824 3.739 1.00 0.00 H new ATOM 0 HG12 VAL A 8 6.217 5.174 2.541 1.00 0.00 H new ATOM 0 HG13 VAL A 8 6.445 5.645 4.242 1.00 0.00 H new ATOM 0 HG21 VAL A 8 3.558 6.644 4.655 1.00 0.00 H new ATOM 0 HG22 VAL A 8 5.002 7.531 5.200 1.00 0.00 H new ATOM 0 HG23 VAL A 8 3.818 8.326 4.136 1.00 0.00 H new ATOM 145 N THR A 9 6.565 8.450 0.364 1.00 0.00 N ATOM 146 CA THR A 9 7.084 8.153 -0.977 1.00 0.00 C ATOM 147 C THR A 9 7.957 9.261 -1.501 1.00 0.00 C ATOM 148 O THR A 9 8.153 10.278 -0.837 1.00 0.00 O ATOM 149 CB THR A 9 5.988 7.854 -1.993 1.00 0.00 C ATOM 150 OG1 THR A 9 5.060 8.918 -2.077 1.00 0.00 O ATOM 151 CG2 THR A 9 5.241 6.585 -1.681 1.00 0.00 C ATOM 0 H THR A 9 6.145 9.373 0.472 1.00 0.00 H new ATOM 0 HA THR A 9 7.683 7.250 -0.854 1.00 0.00 H new ATOM 0 HB THR A 9 6.497 7.730 -2.949 1.00 0.00 H new ATOM 0 HG1 THR A 9 4.573 8.861 -2.925 1.00 0.00 H new ATOM 0 HG21 THR A 9 4.472 6.420 -2.436 1.00 0.00 H new ATOM 0 HG22 THR A 9 5.935 5.745 -1.681 1.00 0.00 H new ATOM 0 HG23 THR A 9 4.774 6.670 -0.700 1.00 0.00 H new ATOM 159 N ARG A 10 8.495 9.042 -2.700 1.00 0.00 N ATOM 160 CA ARG A 10 9.374 9.997 -3.339 1.00 0.00 C ATOM 161 C ARG A 10 10.705 10.036 -2.600 1.00 0.00 C ATOM 162 O ARG A 10 11.771 9.992 -3.211 1.00 0.00 O ATOM 163 CB ARG A 10 8.699 11.356 -3.354 1.00 0.00 C ATOM 164 CG ARG A 10 9.582 12.493 -3.837 1.00 0.00 C ATOM 165 CD ARG A 10 8.784 13.772 -4.027 1.00 0.00 C ATOM 166 NE ARG A 10 9.506 14.947 -3.545 1.00 0.00 N ATOM 167 CZ ARG A 10 8.987 16.171 -3.511 1.00 0.00 C ATOM 168 NH1 ARG A 10 7.747 16.385 -3.934 1.00 0.00 N ATOM 169 NH2 ARG A 10 9.708 17.186 -3.055 1.00 0.00 N ATOM 0 H ARG A 10 8.329 8.197 -3.247 1.00 0.00 H new ATOM 0 HA ARG A 10 9.574 9.704 -4.369 1.00 0.00 H new ATOM 0 HB2 ARG A 10 7.817 11.302 -3.992 1.00 0.00 H new ATOM 0 HB3 ARG A 10 8.351 11.586 -2.347 1.00 0.00 H new ATOM 0 HG2 ARG A 10 10.382 12.665 -3.117 1.00 0.00 H new ATOM 0 HG3 ARG A 10 10.055 12.214 -4.779 1.00 0.00 H new ATOM 0 HD2 ARG A 10 8.550 13.899 -5.084 1.00 0.00 H new ATOM 0 HD3 ARG A 10 7.835 13.688 -3.498 1.00 0.00 H new ATOM 0 HE ARG A 10 10.463 14.821 -3.216 1.00 0.00 H new ATOM 0 HH11 ARG A 10 7.188 15.609 -4.287 1.00 0.00 H new ATOM 0 HH12 ARG A 10 7.354 17.326 -3.906 1.00 0.00 H new ATOM 0 HH21 ARG A 10 10.662 17.029 -2.730 1.00 0.00 H new ATOM 0 HH22 ARG A 10 9.309 18.124 -3.029 1.00 0.00 H new ATOM 183 N HIS A 11 10.623 10.087 -1.277 1.00 0.00 N ATOM 184 CA HIS A 11 11.798 10.093 -0.426 1.00 0.00 C ATOM 185 C HIS A 11 11.885 8.787 0.368 1.00 0.00 C ATOM 186 O HIS A 11 12.917 8.111 0.368 1.00 0.00 O ATOM 187 CB HIS A 11 11.752 11.288 0.527 1.00 0.00 C ATOM 188 CG HIS A 11 12.938 11.372 1.434 1.00 0.00 C ATOM 189 ND1 HIS A 11 14.236 11.233 0.990 1.00 0.00 N ATOM 190 CD2 HIS A 11 13.019 11.579 2.769 1.00 0.00 C ATOM 191 CE1 HIS A 11 15.063 11.350 2.013 1.00 0.00 C ATOM 192 NE2 HIS A 11 14.350 11.561 3.104 1.00 0.00 N ATOM 0 H HIS A 11 9.740 10.125 -0.768 1.00 0.00 H new ATOM 0 HA HIS A 11 12.684 10.179 -1.055 1.00 0.00 H new ATOM 0 HB2 HIS A 11 11.685 12.206 -0.057 1.00 0.00 H new ATOM 0 HB3 HIS A 11 10.846 11.227 1.130 1.00 0.00 H new ATOM 0 HD2 HIS A 11 12.190 11.730 3.445 1.00 0.00 H new ATOM 0 HE1 HIS A 11 16.140 11.284 1.965 1.00 0.00 H new ATOM 0 HE2 HIS A 11 14.727 11.690 4.043 1.00 0.00 H new ATOM 201 N GLN A 12 10.793 8.433 1.048 1.00 0.00 N ATOM 202 CA GLN A 12 10.755 7.215 1.843 1.00 0.00 C ATOM 203 C GLN A 12 10.546 5.989 0.967 1.00 0.00 C ATOM 204 O GLN A 12 11.263 4.996 1.097 1.00 0.00 O ATOM 205 CB GLN A 12 9.661 7.304 2.905 1.00 0.00 C ATOM 206 CG GLN A 12 9.819 8.497 3.830 1.00 0.00 C ATOM 207 CD GLN A 12 9.428 9.805 3.174 1.00 0.00 C ATOM 208 OE1 GLN A 12 8.860 9.820 2.081 1.00 0.00 O ATOM 209 NE2 GLN A 12 9.732 10.913 3.838 1.00 0.00 N ATOM 0 H GLN A 12 9.928 8.974 1.061 1.00 0.00 H new ATOM 0 HA GLN A 12 11.719 7.111 2.340 1.00 0.00 H new ATOM 0 HB2 GLN A 12 8.690 7.361 2.413 1.00 0.00 H new ATOM 0 HB3 GLN A 12 9.665 6.390 3.498 1.00 0.00 H new ATOM 0 HG2 GLN A 12 9.207 8.345 4.719 1.00 0.00 H new ATOM 0 HG3 GLN A 12 10.855 8.558 4.163 1.00 0.00 H new ATOM 0 HE21 GLN A 12 10.203 10.854 4.741 1.00 0.00 H new ATOM 0 HE22 GLN A 12 9.495 11.824 3.446 1.00 0.00 H new ATOM 218 N ALA A 13 9.557 6.054 0.076 1.00 0.00 N ATOM 219 CA ALA A 13 9.267 4.933 -0.811 1.00 0.00 C ATOM 220 C ALA A 13 10.544 4.405 -1.457 1.00 0.00 C ATOM 221 O ALA A 13 10.745 3.196 -1.546 1.00 0.00 O ATOM 222 CB ALA A 13 8.248 5.337 -1.863 1.00 0.00 C ATOM 0 H ALA A 13 8.949 6.864 -0.049 1.00 0.00 H new ATOM 0 HA ALA A 13 8.839 4.126 -0.216 1.00 0.00 H new ATOM 0 HB1 ALA A 13 8.043 4.489 -2.516 1.00 0.00 H new ATOM 0 HB2 ALA A 13 7.325 5.650 -1.374 1.00 0.00 H new ATOM 0 HB3 ALA A 13 8.643 6.163 -2.454 1.00 0.00 H new ATOM 228 N GLU A 14 11.429 5.311 -1.869 1.00 0.00 N ATOM 229 CA GLU A 14 12.696 4.898 -2.456 1.00 0.00 C ATOM 230 C GLU A 14 13.606 4.399 -1.352 1.00 0.00 C ATOM 231 O GLU A 14 14.321 3.416 -1.513 1.00 0.00 O ATOM 232 CB GLU A 14 13.379 6.034 -3.219 1.00 0.00 C ATOM 233 CG GLU A 14 13.174 7.408 -2.606 1.00 0.00 C ATOM 234 CD GLU A 14 13.987 8.480 -3.305 1.00 0.00 C ATOM 235 OE1 GLU A 14 13.668 8.803 -4.469 1.00 0.00 O ATOM 236 OE2 GLU A 14 14.941 8.998 -2.687 1.00 0.00 O ATOM 0 H GLU A 14 11.293 6.320 -1.808 1.00 0.00 H new ATOM 0 HA GLU A 14 12.495 4.105 -3.176 1.00 0.00 H new ATOM 0 HB2 GLU A 14 14.448 5.829 -3.273 1.00 0.00 H new ATOM 0 HB3 GLU A 14 13.004 6.046 -4.243 1.00 0.00 H new ATOM 0 HG2 GLU A 14 12.117 7.669 -2.652 1.00 0.00 H new ATOM 0 HG3 GLU A 14 13.449 7.377 -1.552 1.00 0.00 H new ATOM 243 N CYS A 15 13.555 5.067 -0.207 1.00 0.00 N ATOM 244 CA CYS A 15 14.359 4.648 0.928 1.00 0.00 C ATOM 245 C CYS A 15 13.916 3.261 1.407 1.00 0.00 C ATOM 246 O CYS A 15 14.548 2.673 2.284 1.00 0.00 O ATOM 247 CB CYS A 15 14.268 5.679 2.067 1.00 0.00 C ATOM 248 SG CYS A 15 13.169 5.223 3.436 1.00 0.00 S ATOM 0 H CYS A 15 12.974 5.889 -0.043 1.00 0.00 H new ATOM 0 HA CYS A 15 15.401 4.586 0.614 1.00 0.00 H new ATOM 0 HB2 CYS A 15 15.269 5.845 2.466 1.00 0.00 H new ATOM 0 HB3 CYS A 15 13.929 6.628 1.651 1.00 0.00 H new ATOM 0 HG CYS A 15 11.982 4.965 2.972 1.00 0.00 H new ATOM 254 N ALA A 16 12.816 2.745 0.837 1.00 0.00 N ATOM 255 CA ALA A 16 12.304 1.439 1.232 1.00 0.00 C ATOM 256 C ALA A 16 12.356 0.418 0.098 1.00 0.00 C ATOM 257 O ALA A 16 12.596 -0.766 0.337 1.00 0.00 O ATOM 258 CB ALA A 16 10.880 1.580 1.749 1.00 0.00 C ATOM 0 H ALA A 16 12.274 3.212 0.110 1.00 0.00 H new ATOM 0 HA ALA A 16 12.951 1.063 2.024 1.00 0.00 H new ATOM 0 HB1 ALA A 16 10.501 0.601 2.043 1.00 0.00 H new ATOM 0 HB2 ALA A 16 10.870 2.247 2.611 1.00 0.00 H new ATOM 0 HB3 ALA A 16 10.247 1.993 0.964 1.00 0.00 H new ATOM 264 N LEU A 17 12.152 0.868 -1.134 1.00 0.00 N ATOM 265 CA LEU A 17 12.205 -0.035 -2.282 1.00 0.00 C ATOM 266 C LEU A 17 13.326 0.381 -3.227 1.00 0.00 C ATOM 267 O LEU A 17 13.634 -0.321 -4.190 1.00 0.00 O ATOM 268 CB LEU A 17 10.874 -0.070 -3.056 1.00 0.00 C ATOM 269 CG LEU A 17 9.641 0.467 -2.326 1.00 0.00 C ATOM 270 CD1 LEU A 17 8.378 0.090 -3.083 1.00 0.00 C ATOM 271 CD2 LEU A 17 9.581 -0.057 -0.899 1.00 0.00 C ATOM 0 H LEU A 17 11.950 1.841 -1.365 1.00 0.00 H new ATOM 0 HA LEU A 17 12.395 -1.035 -1.893 1.00 0.00 H new ATOM 0 HB2 LEU A 17 11.000 0.501 -3.976 1.00 0.00 H new ATOM 0 HB3 LEU A 17 10.676 -1.102 -3.346 1.00 0.00 H new ATOM 0 HG LEU A 17 9.715 1.554 -2.283 1.00 0.00 H new ATOM 0 HD11 LEU A 17 7.507 0.478 -2.554 1.00 0.00 H new ATOM 0 HD12 LEU A 17 8.413 0.517 -4.085 1.00 0.00 H new ATOM 0 HD13 LEU A 17 8.306 -0.995 -3.153 1.00 0.00 H new ATOM 0 HD21 LEU A 17 8.695 0.340 -0.403 1.00 0.00 H new ATOM 0 HD22 LEU A 17 9.532 -1.146 -0.913 1.00 0.00 H new ATOM 0 HD23 LEU A 17 10.473 0.259 -0.358 1.00 0.00 H new ATOM 283 N ASN A 18 13.932 1.531 -2.940 1.00 0.00 N ATOM 284 CA ASN A 18 15.026 2.064 -3.752 1.00 0.00 C ATOM 285 C ASN A 18 14.625 2.266 -5.217 1.00 0.00 C ATOM 286 O ASN A 18 15.408 2.782 -6.015 1.00 0.00 O ATOM 287 CB ASN A 18 16.209 1.119 -3.652 1.00 0.00 C ATOM 288 CG ASN A 18 17.338 1.469 -4.604 1.00 0.00 C ATOM 289 OD1 ASN A 18 17.293 1.139 -5.789 1.00 0.00 O ATOM 290 ND2 ASN A 18 18.359 2.143 -4.087 1.00 0.00 N ATOM 0 H ASN A 18 13.681 2.117 -2.144 1.00 0.00 H new ATOM 0 HA ASN A 18 15.291 3.048 -3.366 1.00 0.00 H new ATOM 0 HB2 ASN A 18 16.588 1.129 -2.630 1.00 0.00 H new ATOM 0 HB3 ASN A 18 15.872 0.103 -3.857 1.00 0.00 H new ATOM 0 HD21 ASN A 18 19.147 2.407 -4.678 1.00 0.00 H new ATOM 0 HD22 ASN A 18 18.355 2.396 -3.099 1.00 0.00 H new ATOM 297 N GLU A 19 13.412 1.867 -5.562 1.00 0.00 N ATOM 298 CA GLU A 19 12.911 2.009 -6.926 1.00 0.00 C ATOM 299 C GLU A 19 11.578 1.288 -7.081 1.00 0.00 C ATOM 300 O GLU A 19 10.533 1.924 -7.212 1.00 0.00 O ATOM 301 CB GLU A 19 13.923 1.459 -7.939 1.00 0.00 C ATOM 302 CG GLU A 19 14.406 2.496 -8.941 1.00 0.00 C ATOM 303 CD GLU A 19 13.457 2.664 -10.112 1.00 0.00 C ATOM 304 OE1 GLU A 19 12.285 2.249 -9.991 1.00 0.00 O ATOM 305 OE2 GLU A 19 13.885 3.210 -11.151 1.00 0.00 O ATOM 0 H GLU A 19 12.750 1.439 -4.915 1.00 0.00 H new ATOM 0 HA GLU A 19 12.765 3.071 -7.123 1.00 0.00 H new ATOM 0 HB2 GLU A 19 14.782 1.058 -7.401 1.00 0.00 H new ATOM 0 HB3 GLU A 19 13.469 0.628 -8.479 1.00 0.00 H new ATOM 0 HG2 GLU A 19 14.527 3.454 -8.436 1.00 0.00 H new ATOM 0 HG3 GLU A 19 15.388 2.206 -9.313 1.00 0.00 H new ATOM 312 N ARG A 20 11.630 -0.047 -7.060 1.00 0.00 N ATOM 313 CA ARG A 20 10.437 -0.889 -7.195 1.00 0.00 C ATOM 314 C ARG A 20 10.818 -2.257 -7.745 1.00 0.00 C ATOM 315 O ARG A 20 11.327 -2.366 -8.861 1.00 0.00 O ATOM 316 CB ARG A 20 9.389 -0.244 -8.113 1.00 0.00 C ATOM 317 CG ARG A 20 9.970 0.352 -9.386 1.00 0.00 C ATOM 318 CD ARG A 20 9.573 -0.450 -10.615 1.00 0.00 C ATOM 319 NE ARG A 20 10.389 -0.108 -11.778 1.00 0.00 N ATOM 320 CZ ARG A 20 11.682 -0.405 -11.888 1.00 0.00 C ATOM 321 NH1 ARG A 20 12.305 -1.055 -10.914 1.00 0.00 N ATOM 322 NH2 ARG A 20 12.353 -0.051 -12.976 1.00 0.00 N ATOM 0 H ARG A 20 12.497 -0.573 -6.949 1.00 0.00 H new ATOM 0 HA ARG A 20 10.001 -0.999 -6.202 1.00 0.00 H new ATOM 0 HB2 ARG A 20 8.644 -0.993 -8.381 1.00 0.00 H new ATOM 0 HB3 ARG A 20 8.869 0.539 -7.561 1.00 0.00 H new ATOM 0 HG2 ARG A 20 9.626 1.380 -9.496 1.00 0.00 H new ATOM 0 HG3 ARG A 20 11.057 0.386 -9.309 1.00 0.00 H new ATOM 0 HD2 ARG A 20 9.674 -1.514 -10.402 1.00 0.00 H new ATOM 0 HD3 ARG A 20 8.523 -0.268 -10.843 1.00 0.00 H new ATOM 0 HE ARG A 20 9.942 0.387 -12.550 1.00 0.00 H new ATOM 0 HH11 ARG A 20 11.793 -1.330 -10.076 1.00 0.00 H new ATOM 0 HH12 ARG A 20 13.296 -1.280 -11.003 1.00 0.00 H new ATOM 0 HH21 ARG A 20 11.878 0.449 -13.728 1.00 0.00 H new ATOM 0 HH22 ARG A 20 13.344 -0.278 -13.061 1.00 0.00 H new ATOM 336 N GLY A 21 10.576 -3.299 -6.957 1.00 0.00 N ATOM 337 CA GLY A 21 10.910 -4.644 -7.390 1.00 0.00 C ATOM 338 C GLY A 21 11.989 -5.272 -6.529 1.00 0.00 C ATOM 339 O GLY A 21 12.863 -5.975 -7.034 1.00 0.00 O ATOM 0 H GLY A 21 10.156 -3.237 -6.029 1.00 0.00 H new ATOM 0 HA2 GLY A 21 10.016 -5.266 -7.360 1.00 0.00 H new ATOM 0 HA3 GLY A 21 11.245 -4.617 -8.427 1.00 0.00 H new ATOM 343 N VAL A 22 11.937 -5.005 -5.226 1.00 0.00 N ATOM 344 CA VAL A 22 12.927 -5.534 -4.300 1.00 0.00 C ATOM 345 C VAL A 22 12.316 -5.816 -2.930 1.00 0.00 C ATOM 346 O VAL A 22 11.787 -4.911 -2.291 1.00 0.00 O ATOM 347 CB VAL A 22 14.081 -4.533 -4.130 1.00 0.00 C ATOM 348 CG1 VAL A 22 14.824 -4.344 -5.443 1.00 0.00 C ATOM 349 CG2 VAL A 22 13.556 -3.204 -3.604 1.00 0.00 C ATOM 0 H VAL A 22 11.219 -4.426 -4.791 1.00 0.00 H new ATOM 0 HA VAL A 22 13.299 -6.469 -4.719 1.00 0.00 H new ATOM 0 HB VAL A 22 14.785 -4.934 -3.401 1.00 0.00 H new ATOM 0 HG11 VAL A 22 15.637 -3.632 -5.302 1.00 0.00 H new ATOM 0 HG12 VAL A 22 15.232 -5.300 -5.771 1.00 0.00 H new ATOM 0 HG13 VAL A 22 14.136 -3.964 -6.199 1.00 0.00 H new ATOM 0 HG21 VAL A 22 14.385 -2.505 -3.489 1.00 0.00 H new ATOM 0 HG22 VAL A 22 12.832 -2.795 -4.308 1.00 0.00 H new ATOM 0 HG23 VAL A 22 13.075 -3.359 -2.638 1.00 0.00 H new ATOM 359 N GLU A 23 12.403 -7.070 -2.480 1.00 0.00 N ATOM 360 CA GLU A 23 11.860 -7.467 -1.176 1.00 0.00 C ATOM 361 C GLU A 23 10.434 -6.949 -0.995 1.00 0.00 C ATOM 362 O GLU A 23 10.195 -5.749 -1.072 1.00 0.00 O ATOM 363 CB GLU A 23 12.750 -6.939 -0.047 1.00 0.00 C ATOM 364 CG GLU A 23 13.790 -7.939 0.434 1.00 0.00 C ATOM 365 CD GLU A 23 14.075 -7.813 1.917 1.00 0.00 C ATOM 366 OE1 GLU A 23 14.806 -6.876 2.303 1.00 0.00 O ATOM 367 OE2 GLU A 23 13.569 -8.650 2.694 1.00 0.00 O ATOM 0 H GLU A 23 12.844 -7.829 -2.999 1.00 0.00 H new ATOM 0 HA GLU A 23 11.840 -8.556 -1.138 1.00 0.00 H new ATOM 0 HB2 GLU A 23 13.258 -6.037 -0.389 1.00 0.00 H new ATOM 0 HB3 GLU A 23 12.120 -6.651 0.795 1.00 0.00 H new ATOM 0 HG2 GLU A 23 13.444 -8.950 0.219 1.00 0.00 H new ATOM 0 HG3 GLU A 23 14.715 -7.793 -0.124 1.00 0.00 H new ATOM 374 N GLY A 24 9.491 -7.857 -0.752 1.00 0.00 N ATOM 375 CA GLY A 24 8.102 -7.465 -0.571 1.00 0.00 C ATOM 376 C GLY A 24 7.940 -6.244 0.313 1.00 0.00 C ATOM 377 O GLY A 24 7.744 -6.370 1.519 1.00 0.00 O ATOM 0 H GLY A 24 9.664 -8.859 -0.677 1.00 0.00 H new ATOM 0 HA2 GLY A 24 7.658 -7.262 -1.546 1.00 0.00 H new ATOM 0 HA3 GLY A 24 7.549 -8.298 -0.136 1.00 0.00 H new ATOM 381 N ASP A 25 8.045 -5.060 -0.285 1.00 0.00 N ATOM 382 CA ASP A 25 7.927 -3.822 0.443 1.00 0.00 C ATOM 383 C ASP A 25 6.732 -3.011 -0.052 1.00 0.00 C ATOM 384 O ASP A 25 6.602 -2.750 -1.247 1.00 0.00 O ATOM 385 CB ASP A 25 9.205 -3.017 0.259 1.00 0.00 C ATOM 386 CG ASP A 25 9.735 -3.068 -1.161 1.00 0.00 C ATOM 387 OD1 ASP A 25 8.944 -3.360 -2.080 1.00 0.00 O ATOM 388 OD2 ASP A 25 10.941 -2.810 -1.353 1.00 0.00 O ATOM 0 H ASP A 25 8.214 -4.943 -1.284 1.00 0.00 H new ATOM 0 HA ASP A 25 7.773 -4.045 1.499 1.00 0.00 H new ATOM 0 HB2 ASP A 25 9.018 -1.979 0.534 1.00 0.00 H new ATOM 0 HB3 ASP A 25 9.968 -3.395 0.940 1.00 0.00 H new ATOM 393 N PHE A 26 5.871 -2.608 0.876 1.00 0.00 N ATOM 394 CA PHE A 26 4.692 -1.818 0.539 1.00 0.00 C ATOM 395 C PHE A 26 4.579 -0.621 1.460 1.00 0.00 C ATOM 396 O PHE A 26 4.747 -0.736 2.674 1.00 0.00 O ATOM 397 CB PHE A 26 3.425 -2.663 0.655 1.00 0.00 C ATOM 398 CG PHE A 26 2.471 -2.547 -0.511 1.00 0.00 C ATOM 399 CD1 PHE A 26 2.385 -1.380 -1.247 1.00 0.00 C ATOM 400 CD2 PHE A 26 1.654 -3.613 -0.864 1.00 0.00 C ATOM 401 CE1 PHE A 26 1.504 -1.273 -2.309 1.00 0.00 C ATOM 402 CE2 PHE A 26 0.772 -3.514 -1.925 1.00 0.00 C ATOM 403 CZ PHE A 26 0.697 -2.341 -2.649 1.00 0.00 C ATOM 0 H PHE A 26 5.968 -2.816 1.870 1.00 0.00 H new ATOM 0 HA PHE A 26 4.800 -1.476 -0.490 1.00 0.00 H new ATOM 0 HB2 PHE A 26 3.713 -3.708 0.767 1.00 0.00 H new ATOM 0 HB3 PHE A 26 2.898 -2.378 1.566 1.00 0.00 H new ATOM 0 HD1 PHE A 26 3.014 -0.540 -0.990 1.00 0.00 H new ATOM 0 HD2 PHE A 26 1.708 -4.533 -0.302 1.00 0.00 H new ATOM 0 HE1 PHE A 26 1.448 -0.353 -2.872 1.00 0.00 H new ATOM 0 HE2 PHE A 26 0.143 -4.352 -2.186 1.00 0.00 H new ATOM 0 HZ PHE A 26 0.010 -2.259 -3.478 1.00 0.00 H new ATOM 413 N LEU A 27 4.283 0.521 0.879 1.00 0.00 N ATOM 414 CA LEU A 27 4.134 1.743 1.659 1.00 0.00 C ATOM 415 C LEU A 27 2.985 2.594 1.136 1.00 0.00 C ATOM 416 O LEU A 27 2.991 3.019 -0.020 1.00 0.00 O ATOM 417 CB LEU A 27 5.436 2.547 1.657 1.00 0.00 C ATOM 418 CG LEU A 27 6.147 2.660 0.303 1.00 0.00 C ATOM 419 CD1 LEU A 27 6.113 4.092 -0.190 1.00 0.00 C ATOM 420 CD2 LEU A 27 7.582 2.164 0.413 1.00 0.00 C ATOM 0 H LEU A 27 4.140 0.635 -0.124 1.00 0.00 H new ATOM 0 HA LEU A 27 3.903 1.456 2.685 1.00 0.00 H new ATOM 0 HB2 LEU A 27 5.221 3.553 2.018 1.00 0.00 H new ATOM 0 HB3 LEU A 27 6.123 2.092 2.370 1.00 0.00 H new ATOM 0 HG LEU A 27 5.623 2.034 -0.419 1.00 0.00 H new ATOM 0 HD11 LEU A 27 6.621 4.158 -1.152 1.00 0.00 H new ATOM 0 HD12 LEU A 27 5.078 4.413 -0.304 1.00 0.00 H new ATOM 0 HD13 LEU A 27 6.616 4.737 0.531 1.00 0.00 H new ATOM 0 HD21 LEU A 27 8.072 2.251 -0.557 1.00 0.00 H new ATOM 0 HD22 LEU A 27 8.119 2.765 1.147 1.00 0.00 H new ATOM 0 HD23 LEU A 27 7.583 1.120 0.728 1.00 0.00 H new ATOM 432 N ILE A 28 1.995 2.833 2.000 1.00 0.00 N ATOM 433 CA ILE A 28 0.829 3.630 1.633 1.00 0.00 C ATOM 434 C ILE A 28 0.841 4.972 2.359 1.00 0.00 C ATOM 435 O ILE A 28 1.142 5.043 3.550 1.00 0.00 O ATOM 436 CB ILE A 28 -0.492 2.887 1.934 1.00 0.00 C ATOM 437 CG1 ILE A 28 -1.696 3.696 1.451 1.00 0.00 C ATOM 438 CG2 ILE A 28 -0.615 2.576 3.407 1.00 0.00 C ATOM 439 CD1 ILE A 28 -3.013 2.972 1.633 1.00 0.00 C ATOM 0 H ILE A 28 1.981 2.484 2.958 1.00 0.00 H new ATOM 0 HA ILE A 28 0.885 3.802 0.558 1.00 0.00 H new ATOM 0 HB ILE A 28 -0.476 1.943 1.389 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -1.731 4.642 1.992 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -1.564 3.937 0.396 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -1.553 2.053 3.591 1.00 0.00 H new ATOM 0 HG22 ILE A 28 0.219 1.946 3.717 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -0.599 3.505 3.978 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -3.827 3.600 1.271 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -2.996 2.039 1.070 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -3.166 2.755 2.690 1.00 0.00 H new ATOM 451 N ARG A 29 0.538 6.037 1.626 1.00 0.00 N ATOM 452 CA ARG A 29 0.540 7.384 2.194 1.00 0.00 C ATOM 453 C ARG A 29 -0.604 8.234 1.648 1.00 0.00 C ATOM 454 O ARG A 29 -1.114 7.978 0.559 1.00 0.00 O ATOM 455 CB ARG A 29 1.872 8.065 1.886 1.00 0.00 C ATOM 456 CG ARG A 29 2.503 7.577 0.593 1.00 0.00 C ATOM 457 CD ARG A 29 3.609 8.499 0.128 1.00 0.00 C ATOM 458 NE ARG A 29 3.102 9.583 -0.713 1.00 0.00 N ATOM 459 CZ ARG A 29 2.749 10.783 -0.254 1.00 0.00 C ATOM 460 NH1 ARG A 29 2.858 11.073 1.037 1.00 0.00 N ATOM 461 NH2 ARG A 29 2.281 11.699 -1.091 1.00 0.00 N ATOM 0 H ARG A 29 0.288 5.996 0.638 1.00 0.00 H new ATOM 0 HA ARG A 29 0.402 7.292 3.271 1.00 0.00 H new ATOM 0 HB2 ARG A 29 1.717 9.142 1.824 1.00 0.00 H new ATOM 0 HB3 ARG A 29 2.563 7.889 2.710 1.00 0.00 H new ATOM 0 HG2 ARG A 29 2.903 6.574 0.739 1.00 0.00 H new ATOM 0 HG3 ARG A 29 1.739 7.506 -0.181 1.00 0.00 H new ATOM 0 HD2 ARG A 29 4.118 8.921 0.995 1.00 0.00 H new ATOM 0 HD3 ARG A 29 4.350 7.925 -0.428 1.00 0.00 H new ATOM 0 HE ARG A 29 3.013 9.409 -1.714 1.00 0.00 H new ATOM 0 HH11 ARG A 29 3.215 10.374 1.688 1.00 0.00 H new ATOM 0 HH12 ARG A 29 2.585 11.995 1.377 1.00 0.00 H new ATOM 0 HH21 ARG A 29 2.192 11.484 -2.084 1.00 0.00 H new ATOM 0 HH22 ARG A 29 2.010 12.618 -0.742 1.00 0.00 H new ATOM 475 N ASP A 30 -0.993 9.259 2.403 1.00 0.00 N ATOM 476 CA ASP A 30 -2.065 10.154 1.979 1.00 0.00 C ATOM 477 C ASP A 30 -1.625 10.988 0.780 1.00 0.00 C ATOM 478 O ASP A 30 -0.433 11.206 0.569 1.00 0.00 O ATOM 479 CB ASP A 30 -2.480 11.081 3.125 1.00 0.00 C ATOM 480 CG ASP A 30 -2.646 10.344 4.439 1.00 0.00 C ATOM 481 OD1 ASP A 30 -1.683 9.676 4.870 1.00 0.00 O ATOM 482 OD2 ASP A 30 -3.739 10.438 5.037 1.00 0.00 O ATOM 0 H ASP A 30 -0.583 9.489 3.308 1.00 0.00 H new ATOM 0 HA ASP A 30 -2.920 9.542 1.692 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -1.731 11.864 3.244 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -3.418 11.574 2.868 1.00 0.00 H new ATOM 487 N SER A 31 -2.593 11.453 -0.002 1.00 0.00 N ATOM 488 CA SER A 31 -2.299 12.264 -1.177 1.00 0.00 C ATOM 489 C SER A 31 -3.090 13.567 -1.151 1.00 0.00 C ATOM 490 O SER A 31 -4.267 13.583 -0.792 1.00 0.00 O ATOM 491 CB SER A 31 -2.619 11.485 -2.454 1.00 0.00 C ATOM 492 OG SER A 31 -1.851 11.960 -3.547 1.00 0.00 O ATOM 0 H SER A 31 -3.586 11.283 0.156 1.00 0.00 H new ATOM 0 HA SER A 31 -1.236 12.505 -1.164 1.00 0.00 H new ATOM 0 HB2 SER A 31 -2.418 10.425 -2.297 1.00 0.00 H new ATOM 0 HB3 SER A 31 -3.680 11.577 -2.684 1.00 0.00 H new ATOM 0 HG SER A 31 -2.073 11.445 -4.351 1.00 0.00 H new ATOM 498 N GLU A 32 -2.434 14.657 -1.533 1.00 0.00 N ATOM 499 CA GLU A 32 -3.073 15.967 -1.554 1.00 0.00 C ATOM 500 C GLU A 32 -3.568 16.350 -0.164 1.00 0.00 C ATOM 501 O GLU A 32 -4.599 17.009 -0.021 1.00 0.00 O ATOM 502 CB GLU A 32 -4.239 15.975 -2.544 1.00 0.00 C ATOM 503 CG GLU A 32 -3.805 15.873 -3.996 1.00 0.00 C ATOM 504 CD GLU A 32 -4.972 15.658 -4.940 1.00 0.00 C ATOM 505 OE1 GLU A 32 -5.936 16.450 -4.882 1.00 0.00 O ATOM 506 OE2 GLU A 32 -4.923 14.697 -5.737 1.00 0.00 O ATOM 0 H GLU A 32 -1.459 14.659 -1.833 1.00 0.00 H new ATOM 0 HA GLU A 32 -2.332 16.700 -1.873 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -4.906 15.144 -2.314 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -4.813 16.892 -2.409 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -3.277 16.784 -4.278 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -3.099 15.049 -4.103 1.00 0.00 H new ATOM 513 N SER A 33 -2.828 15.929 0.859 1.00 0.00 N ATOM 514 CA SER A 33 -3.188 16.223 2.243 1.00 0.00 C ATOM 515 C SER A 33 -4.646 15.869 2.520 1.00 0.00 C ATOM 516 O SER A 33 -5.303 16.503 3.346 1.00 0.00 O ATOM 517 CB SER A 33 -2.942 17.700 2.558 1.00 0.00 C ATOM 518 OG SER A 33 -3.369 18.530 1.491 1.00 0.00 O ATOM 0 H SER A 33 -1.973 15.382 0.755 1.00 0.00 H new ATOM 0 HA SER A 33 -2.557 15.611 2.888 1.00 0.00 H new ATOM 0 HB2 SER A 33 -3.473 17.973 3.470 1.00 0.00 H new ATOM 0 HB3 SER A 33 -1.881 17.863 2.746 1.00 0.00 H new ATOM 0 HG SER A 33 -4.239 18.220 1.163 1.00 0.00 H new ATOM 524 N SER A 34 -5.144 14.852 1.827 1.00 0.00 N ATOM 525 CA SER A 34 -6.523 14.413 1.999 1.00 0.00 C ATOM 526 C SER A 34 -6.581 13.097 2.773 1.00 0.00 C ATOM 527 O SER A 34 -5.873 12.145 2.444 1.00 0.00 O ATOM 528 CB SER A 34 -7.200 14.245 0.637 1.00 0.00 C ATOM 529 OG SER A 34 -8.575 14.581 0.705 1.00 0.00 O ATOM 0 H SER A 34 -4.613 14.316 1.141 1.00 0.00 H new ATOM 0 HA SER A 34 -7.053 15.175 2.570 1.00 0.00 H new ATOM 0 HB2 SER A 34 -6.704 14.877 -0.099 1.00 0.00 H new ATOM 0 HB3 SER A 34 -7.091 13.215 0.298 1.00 0.00 H new ATOM 0 HG SER A 34 -8.984 14.467 -0.178 1.00 0.00 H new ATOM 535 N PRO A 35 -7.427 13.023 3.817 1.00 0.00 N ATOM 536 CA PRO A 35 -7.567 11.813 4.633 1.00 0.00 C ATOM 537 C PRO A 35 -8.371 10.719 3.933 1.00 0.00 C ATOM 538 O PRO A 35 -8.470 9.596 4.429 1.00 0.00 O ATOM 539 CB PRO A 35 -8.312 12.314 5.869 1.00 0.00 C ATOM 540 CG PRO A 35 -9.124 13.461 5.375 1.00 0.00 C ATOM 541 CD PRO A 35 -8.312 14.110 4.287 1.00 0.00 C ATOM 0 HA PRO A 35 -6.602 11.354 4.849 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -8.944 11.535 6.295 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -7.619 12.625 6.651 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -10.086 13.121 4.993 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -9.332 14.166 6.180 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -8.946 14.486 3.484 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -7.740 14.957 4.665 1.00 0.00 H new ATOM 549 N SER A 36 -8.946 11.052 2.781 1.00 0.00 N ATOM 550 CA SER A 36 -9.743 10.096 2.019 1.00 0.00 C ATOM 551 C SER A 36 -8.928 9.481 0.883 1.00 0.00 C ATOM 552 O SER A 36 -9.236 8.388 0.409 1.00 0.00 O ATOM 553 CB SER A 36 -10.995 10.776 1.456 1.00 0.00 C ATOM 554 OG SER A 36 -10.902 12.186 1.561 1.00 0.00 O ATOM 0 H SER A 36 -8.875 11.976 2.355 1.00 0.00 H new ATOM 0 HA SER A 36 -10.044 9.296 2.696 1.00 0.00 H new ATOM 0 HB2 SER A 36 -11.127 10.494 0.411 1.00 0.00 H new ATOM 0 HB3 SER A 36 -11.876 10.426 1.994 1.00 0.00 H new ATOM 0 HG SER A 36 -11.713 12.596 1.193 1.00 0.00 H new ATOM 560 N ASP A 37 -7.890 10.190 0.447 1.00 0.00 N ATOM 561 CA ASP A 37 -7.040 9.708 -0.637 1.00 0.00 C ATOM 562 C ASP A 37 -5.761 9.079 -0.095 1.00 0.00 C ATOM 563 O ASP A 37 -5.104 9.638 0.783 1.00 0.00 O ATOM 564 CB ASP A 37 -6.698 10.855 -1.589 1.00 0.00 C ATOM 565 CG ASP A 37 -7.774 11.073 -2.635 1.00 0.00 C ATOM 566 OD1 ASP A 37 -8.912 10.606 -2.421 1.00 0.00 O ATOM 567 OD2 ASP A 37 -7.478 11.712 -3.666 1.00 0.00 O ATOM 0 H ASP A 37 -7.618 11.097 0.826 1.00 0.00 H new ATOM 0 HA ASP A 37 -7.591 8.942 -1.183 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -6.560 11.772 -1.016 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -5.750 10.643 -2.084 1.00 0.00 H new ATOM 572 N PHE A 38 -5.413 7.913 -0.629 1.00 0.00 N ATOM 573 CA PHE A 38 -4.213 7.202 -0.209 1.00 0.00 C ATOM 574 C PHE A 38 -3.545 6.520 -1.395 1.00 0.00 C ATOM 575 O PHE A 38 -4.214 6.061 -2.322 1.00 0.00 O ATOM 576 CB PHE A 38 -4.551 6.176 0.871 1.00 0.00 C ATOM 577 CG PHE A 38 -4.608 6.772 2.247 1.00 0.00 C ATOM 578 CD1 PHE A 38 -3.455 6.923 2.997 1.00 0.00 C ATOM 579 CD2 PHE A 38 -5.815 7.189 2.783 1.00 0.00 C ATOM 580 CE1 PHE A 38 -3.503 7.480 4.261 1.00 0.00 C ATOM 581 CE2 PHE A 38 -5.870 7.748 4.045 1.00 0.00 C ATOM 582 CZ PHE A 38 -4.712 7.894 4.786 1.00 0.00 C ATOM 0 H PHE A 38 -5.948 7.439 -1.357 1.00 0.00 H new ATOM 0 HA PHE A 38 -3.515 7.929 0.206 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -5.512 5.716 0.640 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -3.805 5.381 0.856 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -2.507 6.602 2.590 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -6.722 7.076 2.208 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -2.597 7.591 4.838 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -6.817 8.071 4.452 1.00 0.00 H new ATOM 0 HZ PHE A 38 -4.752 8.331 5.773 1.00 0.00 H new ATOM 592 N SER A 39 -2.221 6.454 -1.355 1.00 0.00 N ATOM 593 CA SER A 39 -1.450 5.825 -2.418 1.00 0.00 C ATOM 594 C SER A 39 -0.449 4.857 -1.822 1.00 0.00 C ATOM 595 O SER A 39 0.153 5.146 -0.791 1.00 0.00 O ATOM 596 CB SER A 39 -0.727 6.881 -3.256 1.00 0.00 C ATOM 597 OG SER A 39 -1.497 7.250 -4.388 1.00 0.00 O ATOM 0 H SER A 39 -1.656 6.831 -0.593 1.00 0.00 H new ATOM 0 HA SER A 39 -2.133 5.279 -3.069 1.00 0.00 H new ATOM 0 HB2 SER A 39 -0.529 7.761 -2.645 1.00 0.00 H new ATOM 0 HB3 SER A 39 0.239 6.494 -3.580 1.00 0.00 H new ATOM 0 HG SER A 39 -1.014 7.927 -4.906 1.00 0.00 H new ATOM 603 N VAL A 40 -0.262 3.713 -2.461 1.00 0.00 N ATOM 604 CA VAL A 40 0.680 2.731 -1.953 1.00 0.00 C ATOM 605 C VAL A 40 1.402 2.003 -3.087 1.00 0.00 C ATOM 606 O VAL A 40 0.804 1.673 -4.110 1.00 0.00 O ATOM 607 CB VAL A 40 -0.024 1.741 -0.998 1.00 0.00 C ATOM 608 CG1 VAL A 40 -1.036 0.872 -1.716 1.00 0.00 C ATOM 609 CG2 VAL A 40 0.984 0.891 -0.252 1.00 0.00 C ATOM 0 H VAL A 40 -0.743 3.445 -3.320 1.00 0.00 H new ATOM 0 HA VAL A 40 1.442 3.262 -1.382 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.573 2.340 -0.271 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.504 0.193 -1.003 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -1.800 1.503 -2.171 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.534 0.294 -2.491 1.00 0.00 H new ATOM 0 HG21 VAL A 40 0.460 0.204 0.412 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.579 0.322 -0.966 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.639 1.535 0.335 1.00 0.00 H new ATOM 619 N SER A 41 2.706 1.789 -2.909 1.00 0.00 N ATOM 620 CA SER A 41 3.529 1.132 -3.929 1.00 0.00 C ATOM 621 C SER A 41 4.151 -0.163 -3.411 1.00 0.00 C ATOM 622 O SER A 41 4.637 -0.218 -2.277 1.00 0.00 O ATOM 623 CB SER A 41 4.632 2.079 -4.402 1.00 0.00 C ATOM 624 OG SER A 41 4.159 2.951 -5.414 1.00 0.00 O ATOM 0 H SER A 41 3.216 2.060 -2.069 1.00 0.00 H new ATOM 0 HA SER A 41 2.876 0.879 -4.764 1.00 0.00 H new ATOM 0 HB2 SER A 41 5.001 2.663 -3.558 1.00 0.00 H new ATOM 0 HB3 SER A 41 5.474 1.500 -4.781 1.00 0.00 H new ATOM 0 HG SER A 41 4.884 3.547 -5.697 1.00 0.00 H new ATOM 630 N LEU A 42 4.130 -1.204 -4.253 1.00 0.00 N ATOM 631 CA LEU A 42 4.691 -2.505 -3.889 1.00 0.00 C ATOM 632 C LEU A 42 5.568 -3.078 -4.994 1.00 0.00 C ATOM 633 O LEU A 42 5.441 -2.713 -6.163 1.00 0.00 O ATOM 634 CB LEU A 42 3.580 -3.502 -3.583 1.00 0.00 C ATOM 635 CG LEU A 42 4.029 -4.783 -2.887 1.00 0.00 C ATOM 636 CD1 LEU A 42 4.448 -4.484 -1.460 1.00 0.00 C ATOM 637 CD2 LEU A 42 2.916 -5.810 -2.909 1.00 0.00 C ATOM 0 H LEU A 42 3.730 -1.167 -5.190 1.00 0.00 H new ATOM 0 HA LEU A 42 5.305 -2.343 -3.003 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.835 -3.010 -2.958 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.086 -3.769 -4.517 1.00 0.00 H new ATOM 0 HG LEU A 42 4.886 -5.191 -3.422 1.00 0.00 H new ATOM 0 HD11 LEU A 42 4.766 -5.406 -0.974 1.00 0.00 H new ATOM 0 HD12 LEU A 42 5.274 -3.772 -1.465 1.00 0.00 H new ATOM 0 HD13 LEU A 42 3.605 -4.058 -0.915 1.00 0.00 H new ATOM 0 HD21 LEU A 42 3.250 -6.719 -2.409 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.043 -5.411 -2.392 1.00 0.00 H new ATOM 0 HD23 LEU A 42 2.653 -6.039 -3.942 1.00 0.00 H new ATOM 649 N LYS A 43 6.440 -4.002 -4.609 1.00 0.00 N ATOM 650 CA LYS A 43 7.327 -4.667 -5.550 1.00 0.00 C ATOM 651 C LYS A 43 6.736 -6.009 -5.973 1.00 0.00 C ATOM 652 O LYS A 43 5.632 -6.368 -5.562 1.00 0.00 O ATOM 653 CB LYS A 43 8.700 -4.885 -4.914 1.00 0.00 C ATOM 654 CG LYS A 43 8.676 -5.834 -3.727 1.00 0.00 C ATOM 655 CD LYS A 43 9.256 -7.197 -4.084 1.00 0.00 C ATOM 656 CE LYS A 43 8.199 -8.288 -4.017 1.00 0.00 C ATOM 657 NZ LYS A 43 8.556 -9.357 -3.040 1.00 0.00 N ATOM 0 H LYS A 43 6.550 -4.308 -3.642 1.00 0.00 H new ATOM 0 HA LYS A 43 7.438 -4.034 -6.431 1.00 0.00 H new ATOM 0 HB2 LYS A 43 9.383 -5.277 -5.668 1.00 0.00 H new ATOM 0 HB3 LYS A 43 9.099 -3.923 -4.592 1.00 0.00 H new ATOM 0 HG2 LYS A 43 9.244 -5.401 -2.903 1.00 0.00 H new ATOM 0 HG3 LYS A 43 7.650 -5.955 -3.378 1.00 0.00 H new ATOM 0 HD2 LYS A 43 9.680 -7.161 -5.087 1.00 0.00 H new ATOM 0 HD3 LYS A 43 10.071 -7.437 -3.401 1.00 0.00 H new ATOM 0 HE2 LYS A 43 7.242 -7.848 -3.738 1.00 0.00 H new ATOM 0 HE3 LYS A 43 8.071 -8.729 -5.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 8.477 -10.287 -3.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 9.533 -9.215 -2.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 7.908 -9.315 -2.228 1.00 0.00 H new ATOM 671 N ALA A 44 7.477 -6.748 -6.789 1.00 0.00 N ATOM 672 CA ALA A 44 7.033 -8.053 -7.263 1.00 0.00 C ATOM 673 C ALA A 44 8.173 -8.772 -7.971 1.00 0.00 C ATOM 674 O ALA A 44 9.300 -8.279 -7.993 1.00 0.00 O ATOM 675 CB ALA A 44 5.834 -7.903 -8.188 1.00 0.00 C ATOM 0 H ALA A 44 8.393 -6.464 -7.138 1.00 0.00 H new ATOM 0 HA ALA A 44 6.728 -8.652 -6.405 1.00 0.00 H new ATOM 0 HB1 ALA A 44 5.515 -8.887 -8.533 1.00 0.00 H new ATOM 0 HB2 ALA A 44 5.016 -7.425 -7.649 1.00 0.00 H new ATOM 0 HB3 ALA A 44 6.111 -7.290 -9.046 1.00 0.00 H new ATOM 681 N SER A 45 7.884 -9.930 -8.558 1.00 0.00 N ATOM 682 CA SER A 45 8.910 -10.682 -9.271 1.00 0.00 C ATOM 683 C SER A 45 9.399 -9.871 -10.463 1.00 0.00 C ATOM 684 O SER A 45 8.964 -10.081 -11.595 1.00 0.00 O ATOM 685 CB SER A 45 8.360 -12.032 -9.739 1.00 0.00 C ATOM 686 OG SER A 45 9.398 -12.987 -9.874 1.00 0.00 O ATOM 0 H SER A 45 6.960 -10.363 -8.555 1.00 0.00 H new ATOM 0 HA SER A 45 9.745 -10.870 -8.596 1.00 0.00 H new ATOM 0 HB2 SER A 45 7.620 -12.394 -9.025 1.00 0.00 H new ATOM 0 HB3 SER A 45 7.849 -11.909 -10.694 1.00 0.00 H new ATOM 0 HG SER A 45 9.020 -13.841 -10.172 1.00 0.00 H new ATOM 692 N GLY A 46 10.292 -8.924 -10.190 1.00 0.00 N ATOM 693 CA GLY A 46 10.819 -8.064 -11.234 1.00 0.00 C ATOM 694 C GLY A 46 9.827 -7.000 -11.672 1.00 0.00 C ATOM 695 O GLY A 46 10.179 -6.076 -12.405 1.00 0.00 O ATOM 0 H GLY A 46 10.662 -8.737 -9.258 1.00 0.00 H new ATOM 0 HA2 GLY A 46 11.729 -7.582 -10.877 1.00 0.00 H new ATOM 0 HA3 GLY A 46 11.097 -8.672 -12.095 1.00 0.00 H new ATOM 699 N LYS A 47 8.585 -7.135 -11.221 1.00 0.00 N ATOM 700 CA LYS A 47 7.527 -6.190 -11.560 1.00 0.00 C ATOM 701 C LYS A 47 7.120 -5.354 -10.350 1.00 0.00 C ATOM 702 O LYS A 47 7.421 -5.706 -9.209 1.00 0.00 O ATOM 703 CB LYS A 47 6.311 -6.940 -12.110 1.00 0.00 C ATOM 704 CG LYS A 47 5.894 -6.489 -13.501 1.00 0.00 C ATOM 705 CD LYS A 47 4.504 -5.873 -13.497 1.00 0.00 C ATOM 706 CE LYS A 47 3.428 -6.920 -13.258 1.00 0.00 C ATOM 707 NZ LYS A 47 2.093 -6.464 -13.735 1.00 0.00 N ATOM 0 H LYS A 47 8.284 -7.897 -10.614 1.00 0.00 H new ATOM 0 HA LYS A 47 7.912 -5.514 -12.323 1.00 0.00 H new ATOM 0 HB2 LYS A 47 6.534 -8.007 -12.135 1.00 0.00 H new ATOM 0 HB3 LYS A 47 5.472 -6.805 -11.427 1.00 0.00 H new ATOM 0 HG2 LYS A 47 6.613 -5.763 -13.879 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.913 -7.341 -14.181 1.00 0.00 H new ATOM 0 HD2 LYS A 47 4.447 -5.108 -12.722 1.00 0.00 H new ATOM 0 HD3 LYS A 47 4.323 -5.376 -14.450 1.00 0.00 H new ATOM 0 HE2 LYS A 47 3.700 -7.843 -13.769 1.00 0.00 H new ATOM 0 HE3 LYS A 47 3.374 -7.149 -12.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 1.387 -7.206 -13.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 1.821 -5.597 -13.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 2.137 -6.270 -14.756 1.00 0.00 H new ATOM 721 N ASN A 48 6.412 -4.259 -10.607 1.00 0.00 N ATOM 722 CA ASN A 48 5.935 -3.384 -9.542 1.00 0.00 C ATOM 723 C ASN A 48 4.415 -3.271 -9.600 1.00 0.00 C ATOM 724 O ASN A 48 3.827 -3.276 -10.681 1.00 0.00 O ATOM 725 CB ASN A 48 6.570 -1.997 -9.652 1.00 0.00 C ATOM 726 CG ASN A 48 6.189 -1.282 -10.934 1.00 0.00 C ATOM 727 OD1 ASN A 48 6.745 -1.734 -12.052 1.00 0.00 O flip ATOM 728 ND2 ASN A 48 5.404 -0.333 -10.919 1.00 0.00 N flip ATOM 0 H ASN A 48 6.155 -3.956 -11.546 1.00 0.00 H new ATOM 0 HA ASN A 48 6.225 -3.818 -8.585 1.00 0.00 H new ATOM 0 HB2 ASN A 48 6.264 -1.392 -8.798 1.00 0.00 H new ATOM 0 HB3 ASN A 48 7.655 -2.093 -9.602 1.00 0.00 H new ATOM 0 HD21 ASN A 48 5.000 -0.019 -10.036 1.00 0.00 H new ATOM 0 HD22 ASN A 48 5.158 0.139 -11.789 1.00 0.00 H new ATOM 735 N LYS A 49 3.782 -3.185 -8.436 1.00 0.00 N ATOM 736 CA LYS A 49 2.329 -3.088 -8.370 1.00 0.00 C ATOM 737 C LYS A 49 1.871 -1.677 -8.014 1.00 0.00 C ATOM 738 O LYS A 49 2.203 -1.154 -6.949 1.00 0.00 O ATOM 739 CB LYS A 49 1.781 -4.081 -7.344 1.00 0.00 C ATOM 740 CG LYS A 49 2.281 -5.502 -7.543 1.00 0.00 C ATOM 741 CD LYS A 49 1.151 -6.511 -7.429 1.00 0.00 C ATOM 742 CE LYS A 49 0.481 -6.749 -8.770 1.00 0.00 C ATOM 743 NZ LYS A 49 -0.559 -5.726 -9.061 1.00 0.00 N ATOM 0 H LYS A 49 4.249 -3.180 -7.529 1.00 0.00 H new ATOM 0 HA LYS A 49 1.939 -3.329 -9.359 1.00 0.00 H new ATOM 0 HB2 LYS A 49 2.055 -3.745 -6.344 1.00 0.00 H new ATOM 0 HB3 LYS A 49 0.692 -4.078 -7.394 1.00 0.00 H new ATOM 0 HG2 LYS A 49 2.751 -5.590 -8.523 1.00 0.00 H new ATOM 0 HG3 LYS A 49 3.047 -5.727 -6.801 1.00 0.00 H new ATOM 0 HD2 LYS A 49 1.541 -7.453 -7.043 1.00 0.00 H new ATOM 0 HD3 LYS A 49 0.413 -6.153 -6.711 1.00 0.00 H new ATOM 0 HE2 LYS A 49 1.233 -6.736 -9.559 1.00 0.00 H new ATOM 0 HE3 LYS A 49 0.027 -7.740 -8.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -1.117 -6.024 -9.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -1.186 -5.624 -8.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -0.102 -4.814 -9.263 1.00 0.00 H new ATOM 757 N HIS A 50 1.086 -1.073 -8.904 1.00 0.00 N ATOM 758 CA HIS A 50 0.559 0.265 -8.670 1.00 0.00 C ATOM 759 C HIS A 50 -0.647 0.182 -7.747 1.00 0.00 C ATOM 760 O HIS A 50 -1.355 -0.825 -7.738 1.00 0.00 O ATOM 761 CB HIS A 50 0.167 0.933 -9.988 1.00 0.00 C ATOM 762 CG HIS A 50 -0.612 0.043 -10.906 1.00 0.00 C ATOM 763 ND1 HIS A 50 -0.018 -0.794 -11.827 1.00 0.00 N ATOM 764 CD2 HIS A 50 -1.947 -0.139 -11.042 1.00 0.00 C ATOM 765 CE1 HIS A 50 -0.953 -1.451 -12.490 1.00 0.00 C ATOM 766 NE2 HIS A 50 -2.132 -1.072 -12.032 1.00 0.00 N ATOM 0 H HIS A 50 0.803 -1.490 -9.791 1.00 0.00 H new ATOM 0 HA HIS A 50 1.335 0.870 -8.201 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -0.423 1.823 -9.772 1.00 0.00 H new ATOM 0 HB3 HIS A 50 1.070 1.266 -10.499 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -2.722 0.357 -10.477 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -0.782 -2.175 -13.273 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -3.034 -1.417 -12.361 1.00 0.00 H new ATOM 775 N PHE A 51 -0.870 1.220 -6.953 1.00 0.00 N ATOM 776 CA PHE A 51 -1.988 1.208 -6.019 1.00 0.00 C ATOM 777 C PHE A 51 -2.558 2.600 -5.764 1.00 0.00 C ATOM 778 O PHE A 51 -1.862 3.489 -5.267 1.00 0.00 O ATOM 779 CB PHE A 51 -1.535 0.597 -4.700 1.00 0.00 C ATOM 780 CG PHE A 51 -2.532 -0.339 -4.088 1.00 0.00 C ATOM 781 CD1 PHE A 51 -3.549 0.146 -3.284 1.00 0.00 C ATOM 782 CD2 PHE A 51 -2.448 -1.703 -4.308 1.00 0.00 C ATOM 783 CE1 PHE A 51 -4.464 -0.712 -2.712 1.00 0.00 C ATOM 784 CE2 PHE A 51 -3.361 -2.567 -3.739 1.00 0.00 C ATOM 785 CZ PHE A 51 -4.370 -2.072 -2.940 1.00 0.00 C ATOM 0 H PHE A 51 -0.303 2.068 -6.935 1.00 0.00 H new ATOM 0 HA PHE A 51 -2.782 0.612 -6.469 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -0.600 0.061 -4.862 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -1.324 1.399 -3.993 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -3.627 1.208 -3.103 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -1.659 -2.095 -4.932 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -5.253 -0.322 -2.086 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -3.286 -3.629 -3.919 1.00 0.00 H new ATOM 0 HZ PHE A 51 -5.086 -2.746 -2.493 1.00 0.00 H new ATOM 795 N LYS A 52 -3.841 2.766 -6.074 1.00 0.00 N ATOM 796 CA LYS A 52 -4.531 4.030 -5.853 1.00 0.00 C ATOM 797 C LYS A 52 -5.766 3.805 -4.991 1.00 0.00 C ATOM 798 O LYS A 52 -6.629 2.993 -5.325 1.00 0.00 O ATOM 799 CB LYS A 52 -4.936 4.669 -7.178 1.00 0.00 C ATOM 800 CG LYS A 52 -4.786 6.180 -7.190 1.00 0.00 C ATOM 801 CD LYS A 52 -4.753 6.727 -8.608 1.00 0.00 C ATOM 802 CE LYS A 52 -6.039 7.460 -8.951 1.00 0.00 C ATOM 803 NZ LYS A 52 -7.223 6.558 -8.897 1.00 0.00 N ATOM 0 H LYS A 52 -4.425 2.036 -6.481 1.00 0.00 H new ATOM 0 HA LYS A 52 -3.848 4.706 -5.339 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -4.329 4.245 -7.978 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -5.973 4.413 -7.394 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -5.613 6.633 -6.644 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -3.870 6.460 -6.670 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -3.906 7.404 -8.718 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -4.600 5.909 -9.312 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -6.181 8.288 -8.257 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -5.956 7.891 -9.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -8.075 7.087 -9.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -7.084 5.763 -9.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -7.337 6.193 -7.930 1.00 0.00 H new ATOM 817 N VAL A 53 -5.842 4.516 -3.876 1.00 0.00 N ATOM 818 CA VAL A 53 -6.969 4.380 -2.963 1.00 0.00 C ATOM 819 C VAL A 53 -7.713 5.704 -2.797 1.00 0.00 C ATOM 820 O VAL A 53 -7.205 6.641 -2.185 1.00 0.00 O ATOM 821 CB VAL A 53 -6.490 3.863 -1.588 1.00 0.00 C ATOM 822 CG1 VAL A 53 -7.656 3.621 -0.643 1.00 0.00 C ATOM 823 CG2 VAL A 53 -5.680 2.588 -1.760 1.00 0.00 C ATOM 0 H VAL A 53 -5.138 5.193 -3.581 1.00 0.00 H new ATOM 0 HA VAL A 53 -7.660 3.656 -3.394 1.00 0.00 H new ATOM 0 HB VAL A 53 -5.858 4.633 -1.145 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -7.280 3.258 0.314 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -8.199 4.553 -0.489 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -8.326 2.878 -1.075 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -5.348 2.233 -0.784 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -6.299 1.825 -2.232 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -4.812 2.790 -2.387 1.00 0.00 H new ATOM 833 N GLN A 54 -8.924 5.769 -3.346 1.00 0.00 N ATOM 834 CA GLN A 54 -9.752 6.973 -3.263 1.00 0.00 C ATOM 835 C GLN A 54 -11.101 6.656 -2.642 1.00 0.00 C ATOM 836 O GLN A 54 -11.704 5.623 -2.922 1.00 0.00 O ATOM 837 CB GLN A 54 -9.944 7.583 -4.654 1.00 0.00 C ATOM 838 CG GLN A 54 -10.475 9.007 -4.625 1.00 0.00 C ATOM 839 CD GLN A 54 -9.684 9.945 -5.517 1.00 0.00 C ATOM 840 OE1 GLN A 54 -8.367 9.952 -5.348 1.00 0.00 O flip ATOM 841 NE2 GLN A 54 -10.251 10.653 -6.349 1.00 0.00 N flip ATOM 0 H GLN A 54 -9.357 4.999 -3.856 1.00 0.00 H new ATOM 0 HA GLN A 54 -9.240 7.696 -2.628 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -8.991 7.570 -5.182 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -10.632 6.959 -5.224 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -11.519 9.008 -4.939 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -10.450 9.379 -3.601 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -11.266 10.615 -6.444 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -9.706 11.278 -6.943 1.00 0.00 H new ATOM 850 N LEU A 55 -11.568 7.551 -1.790 1.00 0.00 N ATOM 851 CA LEU A 55 -12.842 7.365 -1.121 1.00 0.00 C ATOM 852 C LEU A 55 -13.988 7.896 -1.990 1.00 0.00 C ATOM 853 O LEU A 55 -14.078 9.088 -2.276 1.00 0.00 O ATOM 854 CB LEU A 55 -12.781 8.030 0.268 1.00 0.00 C ATOM 855 CG LEU A 55 -14.045 8.735 0.760 1.00 0.00 C ATOM 856 CD1 LEU A 55 -14.206 10.066 0.049 1.00 0.00 C ATOM 857 CD2 LEU A 55 -15.272 7.848 0.575 1.00 0.00 C ATOM 0 H LEU A 55 -11.083 8.414 -1.545 1.00 0.00 H new ATOM 0 HA LEU A 55 -13.041 6.304 -0.973 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -12.515 7.265 0.998 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -11.970 8.758 0.259 1.00 0.00 H new ATOM 0 HG LEU A 55 -13.947 8.929 1.828 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -15.109 10.562 0.405 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -13.341 10.696 0.255 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -14.284 9.898 -1.025 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -16.158 8.373 0.933 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -15.393 7.610 -0.482 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -15.143 6.926 1.142 1.00 0.00 H new ATOM 869 N VAL A 56 -14.848 6.978 -2.426 1.00 0.00 N ATOM 870 CA VAL A 56 -15.988 7.313 -3.273 1.00 0.00 C ATOM 871 C VAL A 56 -17.312 7.136 -2.526 1.00 0.00 C ATOM 872 O VAL A 56 -17.496 6.164 -1.801 1.00 0.00 O ATOM 873 CB VAL A 56 -16.014 6.445 -4.548 1.00 0.00 C ATOM 874 CG1 VAL A 56 -17.169 5.460 -4.498 1.00 0.00 C ATOM 875 CG2 VAL A 56 -16.108 7.319 -5.790 1.00 0.00 C ATOM 0 H VAL A 56 -14.774 5.985 -2.203 1.00 0.00 H new ATOM 0 HA VAL A 56 -15.872 8.360 -3.552 1.00 0.00 H new ATOM 0 HB VAL A 56 -15.083 5.880 -4.598 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -17.172 4.856 -5.405 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -17.056 4.810 -3.630 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -18.110 6.006 -4.422 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -16.125 6.688 -6.679 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -17.021 7.913 -5.749 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -15.245 7.983 -5.833 1.00 0.00 H new ATOM 885 N ASP A 57 -18.236 8.064 -2.748 1.00 0.00 N ATOM 886 CA ASP A 57 -19.567 8.020 -2.131 1.00 0.00 C ATOM 887 C ASP A 57 -19.540 7.408 -0.728 1.00 0.00 C ATOM 888 O ASP A 57 -20.280 6.468 -0.435 1.00 0.00 O ATOM 889 CB ASP A 57 -20.530 7.231 -3.024 1.00 0.00 C ATOM 890 CG ASP A 57 -21.971 7.356 -2.570 1.00 0.00 C ATOM 891 OD1 ASP A 57 -22.399 6.546 -1.722 1.00 0.00 O ATOM 892 OD2 ASP A 57 -22.673 8.263 -3.065 1.00 0.00 O ATOM 0 H ASP A 57 -18.089 8.868 -3.358 1.00 0.00 H new ATOM 0 HA ASP A 57 -19.911 9.049 -2.030 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -20.443 7.586 -4.051 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -20.242 6.180 -3.025 1.00 0.00 H new ATOM 897 N ASN A 58 -18.687 7.948 0.137 1.00 0.00 N ATOM 898 CA ASN A 58 -18.572 7.457 1.508 1.00 0.00 C ATOM 899 C ASN A 58 -18.037 6.026 1.538 1.00 0.00 C ATOM 900 O ASN A 58 -18.346 5.254 2.446 1.00 0.00 O ATOM 901 CB ASN A 58 -19.928 7.520 2.215 1.00 0.00 C ATOM 902 CG ASN A 58 -19.830 7.177 3.689 1.00 0.00 C ATOM 903 OD1 ASN A 58 -20.529 6.291 4.181 1.00 0.00 O ATOM 904 ND2 ASN A 58 -18.956 7.878 4.402 1.00 0.00 N ATOM 0 H ASN A 58 -18.065 8.725 -0.086 1.00 0.00 H new ATOM 0 HA ASN A 58 -17.866 8.100 2.033 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -20.345 8.521 2.105 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -20.620 6.831 1.730 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -18.844 7.691 5.398 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -18.397 8.604 3.953 1.00 0.00 H new ATOM 911 N VAL A 59 -17.229 5.683 0.541 1.00 0.00 N ATOM 912 CA VAL A 59 -16.642 4.353 0.445 1.00 0.00 C ATOM 913 C VAL A 59 -15.191 4.425 -0.006 1.00 0.00 C ATOM 914 O VAL A 59 -14.882 4.987 -1.051 1.00 0.00 O ATOM 915 CB VAL A 59 -17.412 3.449 -0.534 1.00 0.00 C ATOM 916 CG1 VAL A 59 -16.769 2.075 -0.600 1.00 0.00 C ATOM 917 CG2 VAL A 59 -18.869 3.331 -0.130 1.00 0.00 C ATOM 0 H VAL A 59 -16.965 6.313 -0.217 1.00 0.00 H new ATOM 0 HA VAL A 59 -16.700 3.923 1.445 1.00 0.00 H new ATOM 0 HB VAL A 59 -17.369 3.904 -1.523 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -17.324 1.446 -1.296 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -15.738 2.172 -0.941 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -16.782 1.619 0.390 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -19.392 2.687 -0.837 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -18.936 2.901 0.870 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -19.328 4.320 -0.131 1.00 0.00 H new ATOM 927 N TYR A 60 -14.305 3.844 0.785 1.00 0.00 N ATOM 928 CA TYR A 60 -12.885 3.838 0.465 1.00 0.00 C ATOM 929 C TYR A 60 -12.576 2.816 -0.632 1.00 0.00 C ATOM 930 O TYR A 60 -12.900 1.638 -0.507 1.00 0.00 O ATOM 931 CB TYR A 60 -12.091 3.541 1.734 1.00 0.00 C ATOM 932 CG TYR A 60 -12.506 4.389 2.923 1.00 0.00 C ATOM 933 CD1 TYR A 60 -13.245 5.555 2.750 1.00 0.00 C ATOM 934 CD2 TYR A 60 -12.159 4.025 4.220 1.00 0.00 C ATOM 935 CE1 TYR A 60 -13.623 6.330 3.831 1.00 0.00 C ATOM 936 CE2 TYR A 60 -12.535 4.795 5.304 1.00 0.00 C ATOM 937 CZ TYR A 60 -13.266 5.946 5.104 1.00 0.00 C ATOM 938 OH TYR A 60 -13.639 6.714 6.183 1.00 0.00 O ATOM 0 H TYR A 60 -14.543 3.369 1.656 1.00 0.00 H new ATOM 0 HA TYR A 60 -12.596 4.817 0.083 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -12.211 2.488 1.990 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -11.031 3.702 1.536 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -13.529 5.860 1.754 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -11.585 3.124 4.383 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -14.196 7.233 3.677 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -12.257 4.496 6.304 1.00 0.00 H new ATOM 0 HH TYR A 60 -13.308 6.302 7.008 1.00 0.00 H new ATOM 948 N CYS A 61 -11.966 3.284 -1.720 1.00 0.00 N ATOM 949 CA CYS A 61 -11.636 2.417 -2.854 1.00 0.00 C ATOM 950 C CYS A 61 -10.227 1.838 -2.744 1.00 0.00 C ATOM 951 O CYS A 61 -9.258 2.570 -2.572 1.00 0.00 O ATOM 952 CB CYS A 61 -11.762 3.202 -4.165 1.00 0.00 C ATOM 953 SG CYS A 61 -11.388 2.245 -5.653 1.00 0.00 S ATOM 0 H CYS A 61 -11.690 4.258 -1.842 1.00 0.00 H new ATOM 0 HA CYS A 61 -12.341 1.586 -2.844 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -12.777 3.591 -4.244 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -11.094 4.062 -4.124 1.00 0.00 H new ATOM 0 HG CYS A 61 -11.701 0.999 -5.457 1.00 0.00 H new ATOM 959 N ILE A 62 -10.123 0.517 -2.886 1.00 0.00 N ATOM 960 CA ILE A 62 -8.830 -0.167 -2.845 1.00 0.00 C ATOM 961 C ILE A 62 -8.628 -0.950 -4.138 1.00 0.00 C ATOM 962 O ILE A 62 -9.316 -1.940 -4.385 1.00 0.00 O ATOM 963 CB ILE A 62 -8.710 -1.148 -1.653 1.00 0.00 C ATOM 964 CG1 ILE A 62 -9.472 -0.621 -0.432 1.00 0.00 C ATOM 965 CG2 ILE A 62 -7.242 -1.398 -1.308 1.00 0.00 C ATOM 966 CD1 ILE A 62 -8.806 0.559 0.242 1.00 0.00 C ATOM 0 H ILE A 62 -10.920 -0.102 -3.031 1.00 0.00 H new ATOM 0 HA ILE A 62 -8.067 0.602 -2.725 1.00 0.00 H new ATOM 0 HB ILE A 62 -9.159 -2.096 -1.947 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -10.477 -0.332 -0.740 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -9.580 -1.428 0.293 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -7.178 -2.090 -0.468 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -6.733 -1.827 -2.171 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -6.766 -0.455 -1.038 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -9.404 0.875 1.097 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -7.811 0.270 0.582 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -8.722 1.383 -0.467 1.00 0.00 H new ATOM 978 N GLY A 63 -7.691 -0.499 -4.966 1.00 0.00 N ATOM 979 CA GLY A 63 -7.435 -1.174 -6.226 1.00 0.00 C ATOM 980 C GLY A 63 -8.448 -0.800 -7.295 1.00 0.00 C ATOM 981 O GLY A 63 -8.367 0.277 -7.884 1.00 0.00 O ATOM 0 H GLY A 63 -7.107 0.318 -4.789 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -6.433 -0.922 -6.574 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -7.457 -2.252 -6.069 1.00 0.00 H new ATOM 985 N GLN A 64 -9.405 -1.692 -7.542 1.00 0.00 N ATOM 986 CA GLN A 64 -10.441 -1.451 -8.543 1.00 0.00 C ATOM 987 C GLN A 64 -11.820 -1.802 -7.987 1.00 0.00 C ATOM 988 O GLN A 64 -12.646 -2.407 -8.671 1.00 0.00 O ATOM 989 CB GLN A 64 -10.159 -2.267 -9.807 1.00 0.00 C ATOM 990 CG GLN A 64 -9.378 -1.502 -10.862 1.00 0.00 C ATOM 991 CD GLN A 64 -10.163 -0.341 -11.443 1.00 0.00 C ATOM 992 OE1 GLN A 64 -11.126 0.135 -10.842 1.00 0.00 O ATOM 993 NE2 GLN A 64 -9.753 0.121 -12.618 1.00 0.00 N ATOM 0 H GLN A 64 -9.484 -2.589 -7.062 1.00 0.00 H new ATOM 0 HA GLN A 64 -10.431 -0.391 -8.798 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -9.603 -3.164 -9.534 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -11.105 -2.597 -10.235 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -8.453 -1.127 -10.423 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -9.096 -2.183 -11.665 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -8.950 -0.304 -13.081 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -10.241 0.901 -13.058 1.00 0.00 H new ATOM 1002 N ARG A 65 -12.053 -1.418 -6.738 1.00 0.00 N ATOM 1003 CA ARG A 65 -13.320 -1.684 -6.065 1.00 0.00 C ATOM 1004 C ARG A 65 -13.495 -0.732 -4.887 1.00 0.00 C ATOM 1005 O ARG A 65 -12.547 -0.065 -4.480 1.00 0.00 O ATOM 1006 CB ARG A 65 -13.373 -3.138 -5.588 1.00 0.00 C ATOM 1007 CG ARG A 65 -14.775 -3.728 -5.567 1.00 0.00 C ATOM 1008 CD ARG A 65 -15.431 -3.666 -6.939 1.00 0.00 C ATOM 1009 NE ARG A 65 -14.571 -4.215 -7.985 1.00 0.00 N ATOM 1010 CZ ARG A 65 -14.777 -4.036 -9.288 1.00 0.00 C ATOM 1011 NH1 ARG A 65 -15.809 -3.316 -9.713 1.00 0.00 N ATOM 1012 NH2 ARG A 65 -13.946 -4.577 -10.170 1.00 0.00 N ATOM 0 H ARG A 65 -11.374 -0.916 -6.165 1.00 0.00 H new ATOM 0 HA ARG A 65 -14.135 -1.522 -6.771 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -12.743 -3.746 -6.237 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -12.949 -3.197 -4.585 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -14.729 -4.764 -5.232 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -15.387 -3.187 -4.846 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -16.371 -4.218 -6.916 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -15.675 -2.631 -7.177 1.00 0.00 H new ATOM 0 HE ARG A 65 -13.764 -4.769 -7.699 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -16.450 -2.896 -9.040 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -15.961 -3.183 -10.713 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -13.151 -5.129 -9.849 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -14.103 -4.441 -11.169 1.00 0.00 H new ATOM 1026 N ARG A 66 -14.704 -0.663 -4.336 1.00 0.00 N ATOM 1027 CA ARG A 66 -14.963 0.224 -3.214 1.00 0.00 C ATOM 1028 C ARG A 66 -15.322 -0.574 -1.970 1.00 0.00 C ATOM 1029 O ARG A 66 -16.207 -1.429 -1.984 1.00 0.00 O ATOM 1030 CB ARG A 66 -16.079 1.197 -3.565 1.00 0.00 C ATOM 1031 CG ARG A 66 -16.004 1.731 -4.990 1.00 0.00 C ATOM 1032 CD ARG A 66 -14.616 2.264 -5.326 1.00 0.00 C ATOM 1033 NE ARG A 66 -14.204 1.895 -6.679 1.00 0.00 N ATOM 1034 CZ ARG A 66 -14.402 2.657 -7.754 1.00 0.00 C ATOM 1035 NH1 ARG A 66 -15.009 3.832 -7.645 1.00 0.00 N ATOM 1036 NH2 ARG A 66 -13.992 2.239 -8.944 1.00 0.00 N ATOM 0 H ARG A 66 -15.510 -1.206 -4.647 1.00 0.00 H new ATOM 0 HA ARG A 66 -14.057 0.791 -3.002 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -17.039 0.701 -3.423 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -16.048 2.036 -2.870 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -16.267 0.937 -5.689 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -16.739 2.526 -5.119 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -14.610 3.350 -5.228 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -13.894 1.875 -4.608 1.00 0.00 H new ATOM 0 HE ARG A 66 -13.736 0.998 -6.808 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -15.328 4.158 -6.733 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -15.156 4.409 -8.473 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -13.526 1.336 -9.035 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -14.142 2.820 -9.768 1.00 0.00 H new ATOM 1050 N PHE A 67 -14.585 -0.293 -0.906 1.00 0.00 N ATOM 1051 CA PHE A 67 -14.749 -0.976 0.367 1.00 0.00 C ATOM 1052 C PHE A 67 -14.666 -0.013 1.545 1.00 0.00 C ATOM 1053 O PHE A 67 -14.188 1.112 1.413 1.00 0.00 O ATOM 1054 CB PHE A 67 -13.748 -2.115 0.499 1.00 0.00 C ATOM 1055 CG PHE A 67 -14.222 -3.360 -0.198 1.00 0.00 C ATOM 1056 CD1 PHE A 67 -15.305 -4.073 0.296 1.00 0.00 C ATOM 1057 CD2 PHE A 67 -13.602 -3.806 -1.354 1.00 0.00 C ATOM 1058 CE1 PHE A 67 -15.756 -5.210 -0.348 1.00 0.00 C ATOM 1059 CE2 PHE A 67 -14.051 -4.942 -2.003 1.00 0.00 C ATOM 1060 CZ PHE A 67 -15.128 -5.645 -1.498 1.00 0.00 C ATOM 0 H PHE A 67 -13.854 0.418 -0.902 1.00 0.00 H new ATOM 0 HA PHE A 67 -15.751 -1.405 0.386 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -12.790 -1.807 0.081 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -13.580 -2.331 1.554 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -15.801 -3.736 1.194 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -12.759 -3.261 -1.753 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -16.599 -5.757 0.048 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -13.560 -5.279 -2.904 1.00 0.00 H new ATOM 0 HZ PHE A 67 -15.478 -6.534 -2.002 1.00 0.00 H new ATOM 1070 N HIS A 68 -15.150 -0.460 2.693 1.00 0.00 N ATOM 1071 CA HIS A 68 -15.150 0.359 3.901 1.00 0.00 C ATOM 1072 C HIS A 68 -13.808 0.295 4.618 1.00 0.00 C ATOM 1073 O HIS A 68 -13.751 0.175 5.842 1.00 0.00 O ATOM 1074 CB HIS A 68 -16.260 -0.102 4.840 1.00 0.00 C ATOM 1075 CG HIS A 68 -16.174 -1.554 5.199 1.00 0.00 C ATOM 1076 ND1 HIS A 68 -15.257 -2.052 6.101 1.00 0.00 N ATOM 1077 CD2 HIS A 68 -16.891 -2.619 4.767 1.00 0.00 C ATOM 1078 CE1 HIS A 68 -15.414 -3.360 6.208 1.00 0.00 C ATOM 1079 NE2 HIS A 68 -16.399 -3.728 5.410 1.00 0.00 N ATOM 0 H HIS A 68 -15.550 -1.390 2.817 1.00 0.00 H new ATOM 0 HA HIS A 68 -15.325 1.393 3.605 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -16.223 0.493 5.753 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -17.225 0.092 4.372 1.00 0.00 H new ATOM 0 HD1 HIS A 68 -14.566 -1.498 6.606 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -17.699 -2.599 4.051 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -14.835 -4.016 6.841 1.00 0.00 H new ATOM 1088 N THR A 69 -12.732 0.375 3.851 1.00 0.00 N ATOM 1089 CA THR A 69 -11.391 0.325 4.422 1.00 0.00 C ATOM 1090 C THR A 69 -10.402 1.179 3.621 1.00 0.00 C ATOM 1091 O THR A 69 -10.602 1.429 2.435 1.00 0.00 O ATOM 1092 CB THR A 69 -10.921 -1.128 4.486 1.00 0.00 C ATOM 1093 OG1 THR A 69 -9.941 -1.289 5.493 1.00 0.00 O ATOM 1094 CG2 THR A 69 -10.343 -1.643 3.182 1.00 0.00 C ATOM 0 H THR A 69 -12.758 0.474 2.836 1.00 0.00 H new ATOM 0 HA THR A 69 -11.429 0.740 5.429 1.00 0.00 H new ATOM 0 HB THR A 69 -11.816 -1.709 4.708 1.00 0.00 H new ATOM 0 HG1 THR A 69 -10.359 -1.193 6.374 1.00 0.00 H new ATOM 0 HG21 THR A 69 -10.032 -2.680 3.306 1.00 0.00 H new ATOM 0 HG22 THR A 69 -11.100 -1.582 2.400 1.00 0.00 H new ATOM 0 HG23 THR A 69 -9.482 -1.037 2.901 1.00 0.00 H new ATOM 1102 N MET A 70 -9.330 1.618 4.283 1.00 0.00 N ATOM 1103 CA MET A 70 -8.308 2.447 3.647 1.00 0.00 C ATOM 1104 C MET A 70 -7.365 3.014 4.705 1.00 0.00 C ATOM 1105 O MET A 70 -7.802 3.624 5.680 1.00 0.00 O ATOM 1106 CB MET A 70 -8.969 3.576 2.834 1.00 0.00 C ATOM 1107 CG MET A 70 -8.142 4.853 2.696 1.00 0.00 C ATOM 1108 SD MET A 70 -8.986 6.304 3.359 1.00 0.00 S ATOM 1109 CE MET A 70 -9.215 5.823 5.069 1.00 0.00 C ATOM 0 H MET A 70 -9.148 1.411 5.265 1.00 0.00 H new ATOM 0 HA MET A 70 -7.725 1.833 2.961 1.00 0.00 H new ATOM 0 HB2 MET A 70 -9.194 3.199 1.836 1.00 0.00 H new ATOM 0 HB3 MET A 70 -9.921 3.828 3.301 1.00 0.00 H new ATOM 0 HG2 MET A 70 -7.191 4.723 3.213 1.00 0.00 H new ATOM 0 HG3 MET A 70 -7.912 5.020 1.644 1.00 0.00 H new ATOM 0 HE1 MET A 70 -9.904 6.516 5.553 1.00 0.00 H new ATOM 0 HE2 MET A 70 -9.625 4.814 5.111 1.00 0.00 H new ATOM 0 HE3 MET A 70 -8.255 5.846 5.585 1.00 0.00 H new ATOM 1119 N ASP A 71 -6.069 2.792 4.508 1.00 0.00 N ATOM 1120 CA ASP A 71 -5.040 3.264 5.439 1.00 0.00 C ATOM 1121 C ASP A 71 -4.919 2.335 6.641 1.00 0.00 C ATOM 1122 O ASP A 71 -3.861 2.243 7.263 1.00 0.00 O ATOM 1123 CB ASP A 71 -5.341 4.685 5.909 1.00 0.00 C ATOM 1124 CG ASP A 71 -4.088 5.429 6.322 1.00 0.00 C ATOM 1125 OD1 ASP A 71 -3.016 5.155 5.740 1.00 0.00 O ATOM 1126 OD2 ASP A 71 -4.176 6.286 7.226 1.00 0.00 O ATOM 0 H ASP A 71 -5.700 2.283 3.705 1.00 0.00 H new ATOM 0 HA ASP A 71 -4.090 3.265 4.904 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -5.839 5.232 5.109 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -6.034 4.649 6.750 1.00 0.00 H new ATOM 1131 N GLU A 72 -5.999 1.630 6.944 1.00 0.00 N ATOM 1132 CA GLU A 72 -6.009 0.686 8.049 1.00 0.00 C ATOM 1133 C GLU A 72 -5.945 -0.728 7.495 1.00 0.00 C ATOM 1134 O GLU A 72 -5.601 -1.676 8.201 1.00 0.00 O ATOM 1135 CB GLU A 72 -7.268 0.863 8.900 1.00 0.00 C ATOM 1136 CG GLU A 72 -7.447 2.274 9.435 1.00 0.00 C ATOM 1137 CD GLU A 72 -6.247 2.751 10.229 1.00 0.00 C ATOM 1138 OE1 GLU A 72 -5.921 2.114 11.253 1.00 0.00 O ATOM 1139 OE2 GLU A 72 -5.632 3.761 9.827 1.00 0.00 O ATOM 0 H GLU A 72 -6.882 1.695 6.438 1.00 0.00 H new ATOM 0 HA GLU A 72 -5.143 0.871 8.685 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -8.140 0.596 8.303 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -7.231 0.167 9.738 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -7.622 2.955 8.602 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -8.334 2.309 10.067 1.00 0.00 H new ATOM 1146 N LEU A 73 -6.274 -0.850 6.212 1.00 0.00 N ATOM 1147 CA LEU A 73 -6.253 -2.129 5.532 1.00 0.00 C ATOM 1148 C LEU A 73 -4.842 -2.547 5.167 1.00 0.00 C ATOM 1149 O LEU A 73 -4.626 -3.651 4.686 1.00 0.00 O ATOM 1150 CB LEU A 73 -7.141 -2.094 4.277 1.00 0.00 C ATOM 1151 CG LEU A 73 -6.751 -1.110 3.144 1.00 0.00 C ATOM 1152 CD1 LEU A 73 -5.501 -0.300 3.451 1.00 0.00 C ATOM 1153 CD2 LEU A 73 -6.553 -1.863 1.843 1.00 0.00 C ATOM 0 H LEU A 73 -6.560 -0.068 5.623 1.00 0.00 H new ATOM 0 HA LEU A 73 -6.652 -2.871 6.224 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -7.164 -3.099 3.855 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -8.157 -1.857 4.592 1.00 0.00 H new ATOM 0 HG LEU A 73 -7.577 -0.404 3.056 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -5.286 0.367 2.617 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -5.662 0.289 4.354 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -4.658 -0.975 3.603 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -6.279 -1.162 1.055 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -5.758 -2.599 1.966 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -7.479 -2.371 1.572 1.00 0.00 H new ATOM 1165 N VAL A 74 -3.880 -1.677 5.408 1.00 0.00 N ATOM 1166 CA VAL A 74 -2.505 -2.000 5.111 1.00 0.00 C ATOM 1167 C VAL A 74 -1.889 -2.768 6.269 1.00 0.00 C ATOM 1168 O VAL A 74 -0.794 -3.318 6.155 1.00 0.00 O ATOM 1169 CB VAL A 74 -1.657 -0.749 4.846 1.00 0.00 C ATOM 1170 CG1 VAL A 74 -0.486 -1.110 3.960 1.00 0.00 C ATOM 1171 CG2 VAL A 74 -2.475 0.372 4.213 1.00 0.00 C ATOM 0 H VAL A 74 -4.027 -0.749 5.806 1.00 0.00 H new ATOM 0 HA VAL A 74 -2.511 -2.608 4.206 1.00 0.00 H new ATOM 0 HB VAL A 74 -1.293 -0.380 5.805 1.00 0.00 H new ATOM 0 HG11 VAL A 74 0.116 -0.221 3.772 1.00 0.00 H new ATOM 0 HG12 VAL A 74 0.126 -1.864 4.455 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -0.854 -1.505 3.013 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -1.835 1.238 4.043 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -2.885 0.031 3.262 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -3.291 0.649 4.881 1.00 0.00 H new ATOM 1181 N GLU A 75 -2.610 -2.801 7.382 1.00 0.00 N ATOM 1182 CA GLU A 75 -2.148 -3.503 8.570 1.00 0.00 C ATOM 1183 C GLU A 75 -2.723 -4.912 8.612 1.00 0.00 C ATOM 1184 O GLU A 75 -2.122 -5.823 9.181 1.00 0.00 O ATOM 1185 CB GLU A 75 -2.544 -2.740 9.835 1.00 0.00 C ATOM 1186 CG GLU A 75 -1.977 -3.345 11.108 1.00 0.00 C ATOM 1187 CD GLU A 75 -2.931 -3.243 12.282 1.00 0.00 C ATOM 1188 OE1 GLU A 75 -3.963 -3.946 12.270 1.00 0.00 O ATOM 1189 OE2 GLU A 75 -2.646 -2.461 13.213 1.00 0.00 O ATOM 0 H GLU A 75 -3.518 -2.349 7.486 1.00 0.00 H new ATOM 0 HA GLU A 75 -1.061 -3.567 8.526 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -2.204 -1.708 9.749 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -3.631 -2.712 9.908 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -1.737 -4.393 10.931 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -1.043 -2.842 11.360 1.00 0.00 H new ATOM 1196 N HIS A 76 -3.891 -5.082 8.005 1.00 0.00 N ATOM 1197 CA HIS A 76 -4.551 -6.379 7.969 1.00 0.00 C ATOM 1198 C HIS A 76 -4.969 -6.751 6.548 1.00 0.00 C ATOM 1199 O HIS A 76 -5.712 -7.713 6.351 1.00 0.00 O ATOM 1200 CB HIS A 76 -5.774 -6.375 8.888 1.00 0.00 C ATOM 1201 CG HIS A 76 -5.479 -6.849 10.279 1.00 0.00 C ATOM 1202 ND1 HIS A 76 -5.273 -5.991 11.338 1.00 0.00 N ATOM 1203 CD2 HIS A 76 -5.351 -8.100 10.781 1.00 0.00 C ATOM 1204 CE1 HIS A 76 -5.030 -6.693 12.430 1.00 0.00 C ATOM 1205 NE2 HIS A 76 -5.073 -7.975 12.120 1.00 0.00 N ATOM 0 H HIS A 76 -4.400 -4.336 7.531 1.00 0.00 H new ATOM 0 HA HIS A 76 -3.839 -7.126 8.320 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -6.179 -5.364 8.936 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -6.547 -7.008 8.453 1.00 0.00 H new ATOM 0 HD1 HIS A 76 -5.303 -4.973 11.286 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -5.449 -9.024 10.231 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -4.830 -6.287 13.410 1.00 0.00 H new ATOM 1214 N TYR A 77 -4.487 -5.994 5.555 1.00 0.00 N ATOM 1215 CA TYR A 77 -4.813 -6.254 4.160 1.00 0.00 C ATOM 1216 C TYR A 77 -6.289 -6.608 3.982 1.00 0.00 C ATOM 1217 O TYR A 77 -6.632 -7.735 3.627 1.00 0.00 O ATOM 1218 CB TYR A 77 -3.920 -7.363 3.616 1.00 0.00 C ATOM 1219 CG TYR A 77 -3.773 -8.551 4.541 1.00 0.00 C ATOM 1220 CD1 TYR A 77 -2.813 -8.559 5.546 1.00 0.00 C ATOM 1221 CD2 TYR A 77 -4.594 -9.665 4.409 1.00 0.00 C ATOM 1222 CE1 TYR A 77 -2.675 -9.643 6.392 1.00 0.00 C ATOM 1223 CE2 TYR A 77 -4.462 -10.752 5.252 1.00 0.00 C ATOM 1224 CZ TYR A 77 -3.502 -10.737 6.242 1.00 0.00 C ATOM 1225 OH TYR A 77 -3.369 -11.817 7.083 1.00 0.00 O ATOM 0 H TYR A 77 -3.869 -5.196 5.699 1.00 0.00 H new ATOM 0 HA TYR A 77 -4.631 -5.341 3.593 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -4.325 -7.706 2.664 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -2.932 -6.951 3.412 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -2.164 -7.704 5.668 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -5.347 -9.681 3.635 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -1.923 -9.634 7.167 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -5.108 -11.610 5.136 1.00 0.00 H new ATOM 0 HH TYR A 77 -4.028 -12.501 6.843 1.00 0.00 H new ATOM 1235 N LYS A 78 -7.153 -5.626 4.236 1.00 0.00 N ATOM 1236 CA LYS A 78 -8.596 -5.811 4.112 1.00 0.00 C ATOM 1237 C LYS A 78 -8.973 -6.181 2.674 1.00 0.00 C ATOM 1238 O LYS A 78 -8.473 -7.178 2.153 1.00 0.00 O ATOM 1239 CB LYS A 78 -9.325 -4.549 4.574 1.00 0.00 C ATOM 1240 CG LYS A 78 -9.037 -4.193 6.021 1.00 0.00 C ATOM 1241 CD LYS A 78 -10.084 -4.777 6.954 1.00 0.00 C ATOM 1242 CE LYS A 78 -10.314 -3.881 8.160 1.00 0.00 C ATOM 1243 NZ LYS A 78 -9.451 -4.266 9.310 1.00 0.00 N ATOM 0 H LYS A 78 -6.875 -4.690 4.530 1.00 0.00 H new ATOM 0 HA LYS A 78 -8.904 -6.637 4.753 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -9.035 -3.714 3.936 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -10.398 -4.689 4.447 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -8.051 -4.565 6.300 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -9.012 -3.109 6.133 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -11.021 -4.910 6.414 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -9.766 -5.765 7.288 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -10.113 -2.845 7.886 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -11.361 -3.935 8.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -9.638 -3.631 10.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -9.660 -5.246 9.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -8.451 -4.190 9.034 1.00 0.00 H new ATOM 1257 N LYS A 79 -9.850 -5.407 2.018 1.00 0.00 N ATOM 1258 CA LYS A 79 -10.226 -5.746 0.651 1.00 0.00 C ATOM 1259 C LYS A 79 -9.181 -5.241 -0.344 1.00 0.00 C ATOM 1260 O LYS A 79 -9.464 -4.432 -1.228 1.00 0.00 O ATOM 1261 CB LYS A 79 -11.602 -5.171 0.338 1.00 0.00 C ATOM 1262 CG LYS A 79 -12.683 -5.690 1.273 1.00 0.00 C ATOM 1263 CD LYS A 79 -12.763 -4.863 2.548 1.00 0.00 C ATOM 1264 CE LYS A 79 -14.079 -5.084 3.277 1.00 0.00 C ATOM 1265 NZ LYS A 79 -14.041 -6.300 4.136 1.00 0.00 N ATOM 0 H LYS A 79 -10.295 -4.573 2.400 1.00 0.00 H new ATOM 0 HA LYS A 79 -10.270 -6.831 0.557 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -11.561 -4.084 0.406 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -11.868 -5.417 -0.690 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -13.646 -5.669 0.764 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -12.478 -6.730 1.525 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -11.934 -5.125 3.205 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -12.654 -3.806 2.304 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -14.304 -4.212 3.892 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -14.885 -5.178 2.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -14.957 -6.415 4.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -13.851 -7.136 3.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -13.288 -6.200 4.847 1.00 0.00 H new ATOM 1279 N ALA A 80 -7.978 -5.777 -0.189 1.00 0.00 N ATOM 1280 CA ALA A 80 -6.832 -5.480 -1.042 1.00 0.00 C ATOM 1281 C ALA A 80 -6.556 -6.671 -1.954 1.00 0.00 C ATOM 1282 O ALA A 80 -6.903 -7.799 -1.604 1.00 0.00 O ATOM 1283 CB ALA A 80 -5.615 -5.126 -0.202 1.00 0.00 C ATOM 0 H ALA A 80 -7.765 -6.447 0.551 1.00 0.00 H new ATOM 0 HA ALA A 80 -7.058 -4.614 -1.664 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -4.772 -4.908 -0.857 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -5.836 -4.250 0.408 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -5.363 -5.966 0.446 1.00 0.00 H new ATOM 1289 N PRO A 81 -5.901 -6.482 -3.115 1.00 0.00 N ATOM 1290 CA PRO A 81 -5.574 -7.603 -4.008 1.00 0.00 C ATOM 1291 C PRO A 81 -4.508 -8.496 -3.382 1.00 0.00 C ATOM 1292 O PRO A 81 -3.772 -9.194 -4.079 1.00 0.00 O ATOM 1293 CB PRO A 81 -5.012 -6.904 -5.243 1.00 0.00 C ATOM 1294 CG PRO A 81 -4.375 -5.693 -4.674 1.00 0.00 C ATOM 1295 CD PRO A 81 -5.354 -5.212 -3.627 1.00 0.00 C ATOM 0 HA PRO A 81 -6.429 -8.245 -4.219 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -4.292 -7.530 -5.770 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -5.796 -6.651 -5.957 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -3.404 -5.923 -4.235 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -4.207 -4.935 -5.439 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -4.863 -4.634 -2.844 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -6.129 -4.576 -4.054 1.00 0.00 H new ATOM 1303 N ILE A 82 -4.424 -8.444 -2.055 1.00 0.00 N ATOM 1304 CA ILE A 82 -3.454 -9.210 -1.308 1.00 0.00 C ATOM 1305 C ILE A 82 -3.665 -10.703 -1.538 1.00 0.00 C ATOM 1306 O ILE A 82 -4.681 -11.275 -1.141 1.00 0.00 O ATOM 1307 CB ILE A 82 -3.532 -8.867 0.192 1.00 0.00 C ATOM 1308 CG1 ILE A 82 -3.611 -7.327 0.360 1.00 0.00 C ATOM 1309 CG2 ILE A 82 -2.366 -9.504 0.935 1.00 0.00 C ATOM 1310 CD1 ILE A 82 -2.498 -6.657 1.148 1.00 0.00 C ATOM 0 H ILE A 82 -5.032 -7.866 -1.475 1.00 0.00 H new ATOM 0 HA ILE A 82 -2.457 -8.948 -1.662 1.00 0.00 H new ATOM 0 HB ILE A 82 -4.436 -9.282 0.637 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -3.638 -6.880 -0.634 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -4.558 -7.088 0.843 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -2.430 -9.256 1.994 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -2.405 -10.586 0.813 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -1.427 -9.127 0.530 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -2.677 -5.582 1.188 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -2.476 -7.059 2.161 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -1.542 -6.848 0.661 1.00 0.00 H new ATOM 1322 N PHE A 83 -2.709 -11.310 -2.228 1.00 0.00 N ATOM 1323 CA PHE A 83 -2.771 -12.724 -2.586 1.00 0.00 C ATOM 1324 C PHE A 83 -1.492 -13.466 -2.202 1.00 0.00 C ATOM 1325 O PHE A 83 -0.423 -12.869 -2.104 1.00 0.00 O ATOM 1326 CB PHE A 83 -2.975 -12.831 -4.094 1.00 0.00 C ATOM 1327 CG PHE A 83 -4.406 -12.997 -4.514 1.00 0.00 C ATOM 1328 CD1 PHE A 83 -5.123 -14.127 -4.158 1.00 0.00 C ATOM 1329 CD2 PHE A 83 -5.030 -12.022 -5.275 1.00 0.00 C ATOM 1330 CE1 PHE A 83 -6.438 -14.282 -4.553 1.00 0.00 C ATOM 1331 CE2 PHE A 83 -6.344 -12.171 -5.674 1.00 0.00 C ATOM 1332 CZ PHE A 83 -7.049 -13.302 -5.313 1.00 0.00 C ATOM 0 H PHE A 83 -1.867 -10.837 -2.556 1.00 0.00 H new ATOM 0 HA PHE A 83 -3.597 -13.181 -2.041 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -2.571 -11.936 -4.568 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -2.399 -13.677 -4.468 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -4.649 -14.895 -3.565 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -4.483 -11.135 -5.560 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -6.988 -15.167 -4.269 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -6.819 -11.404 -6.267 1.00 0.00 H new ATOM 0 HZ PHE A 83 -8.076 -13.421 -5.624 1.00 0.00 H new ATOM 1342 N THR A 84 -1.609 -14.779 -2.011 1.00 0.00 N ATOM 1343 CA THR A 84 -0.459 -15.609 -1.667 1.00 0.00 C ATOM 1344 C THR A 84 -0.409 -16.854 -2.550 1.00 0.00 C ATOM 1345 O THR A 84 -1.443 -17.364 -2.980 1.00 0.00 O ATOM 1346 CB THR A 84 -0.505 -16.014 -0.192 1.00 0.00 C ATOM 1347 OG1 THR A 84 -0.642 -14.872 0.634 1.00 0.00 O ATOM 1348 CG2 THR A 84 0.733 -16.762 0.260 1.00 0.00 C ATOM 0 H THR A 84 -2.489 -15.289 -2.089 1.00 0.00 H new ATOM 0 HA THR A 84 0.443 -15.022 -1.839 1.00 0.00 H new ATOM 0 HB THR A 84 -1.365 -16.676 -0.098 1.00 0.00 H new ATOM 0 HG1 THR A 84 -0.671 -15.149 1.573 1.00 0.00 H new ATOM 0 HG21 THR A 84 0.637 -17.020 1.315 1.00 0.00 H new ATOM 0 HG22 THR A 84 0.843 -17.673 -0.328 1.00 0.00 H new ATOM 0 HG23 THR A 84 1.611 -16.131 0.119 1.00 0.00 H new ATOM 1356 N SER A 85 0.800 -17.338 -2.817 1.00 0.00 N ATOM 1357 CA SER A 85 0.991 -18.522 -3.648 1.00 0.00 C ATOM 1358 C SER A 85 1.630 -19.645 -2.840 1.00 0.00 C ATOM 1359 O SER A 85 2.587 -19.418 -2.098 1.00 0.00 O ATOM 1360 CB SER A 85 1.865 -18.188 -4.861 1.00 0.00 C ATOM 1361 OG SER A 85 1.813 -19.222 -5.829 1.00 0.00 O ATOM 0 H SER A 85 1.666 -16.926 -2.468 1.00 0.00 H new ATOM 0 HA SER A 85 0.014 -18.855 -3.998 1.00 0.00 H new ATOM 0 HB2 SER A 85 1.531 -17.251 -5.307 1.00 0.00 H new ATOM 0 HB3 SER A 85 2.896 -18.038 -4.540 1.00 0.00 H new ATOM 0 HG SER A 85 2.378 -18.983 -6.593 1.00 0.00 H new ATOM 1367 N GLU A 86 1.085 -20.853 -2.988 1.00 0.00 N ATOM 1368 CA GLU A 86 1.576 -22.032 -2.272 1.00 0.00 C ATOM 1369 C GLU A 86 3.102 -22.060 -2.190 1.00 0.00 C ATOM 1370 O GLU A 86 3.667 -22.224 -1.108 1.00 0.00 O ATOM 1371 CB GLU A 86 1.066 -23.307 -2.951 1.00 0.00 C ATOM 1372 CG GLU A 86 0.240 -24.196 -2.034 1.00 0.00 C ATOM 1373 CD GLU A 86 1.089 -25.192 -1.268 1.00 0.00 C ATOM 1374 OE1 GLU A 86 2.048 -25.733 -1.858 1.00 0.00 O ATOM 1375 OE2 GLU A 86 0.794 -25.431 -0.078 1.00 0.00 O ATOM 0 H GLU A 86 0.295 -21.042 -3.604 1.00 0.00 H new ATOM 0 HA GLU A 86 1.193 -21.979 -1.253 1.00 0.00 H new ATOM 0 HB2 GLU A 86 0.463 -23.032 -3.816 1.00 0.00 H new ATOM 0 HB3 GLU A 86 1.918 -23.876 -3.324 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -0.309 -23.573 -1.328 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -0.500 -24.734 -2.626 1.00 0.00 H new ATOM 1382 N HIS A 87 3.766 -21.905 -3.333 1.00 0.00 N ATOM 1383 CA HIS A 87 5.228 -21.920 -3.372 1.00 0.00 C ATOM 1384 C HIS A 87 5.813 -20.987 -2.316 1.00 0.00 C ATOM 1385 O HIS A 87 6.905 -21.223 -1.799 1.00 0.00 O ATOM 1386 CB HIS A 87 5.733 -21.517 -4.758 1.00 0.00 C ATOM 1387 CG HIS A 87 7.179 -21.840 -4.977 1.00 0.00 C ATOM 1388 ND1 HIS A 87 7.611 -22.789 -5.879 1.00 0.00 N ATOM 1389 CD2 HIS A 87 8.297 -21.337 -4.399 1.00 0.00 C ATOM 1390 CE1 HIS A 87 8.931 -22.857 -5.846 1.00 0.00 C ATOM 1391 NE2 HIS A 87 9.371 -21.986 -4.958 1.00 0.00 N ATOM 0 H HIS A 87 3.319 -21.768 -4.240 1.00 0.00 H new ATOM 0 HA HIS A 87 5.556 -22.937 -3.157 1.00 0.00 H new ATOM 0 HB2 HIS A 87 5.136 -22.023 -5.516 1.00 0.00 H new ATOM 0 HB3 HIS A 87 5.582 -20.446 -4.895 1.00 0.00 H new ATOM 0 HD2 HIS A 87 8.336 -20.569 -3.640 1.00 0.00 H new ATOM 0 HE1 HIS A 87 9.545 -23.514 -6.444 1.00 0.00 H new ATOM 0 HE2 HIS A 87 10.350 -21.821 -4.724 1.00 0.00 H new ATOM 1400 N GLY A 88 5.074 -19.930 -1.997 1.00 0.00 N ATOM 1401 CA GLY A 88 5.528 -18.981 -0.999 1.00 0.00 C ATOM 1402 C GLY A 88 5.595 -17.557 -1.519 1.00 0.00 C ATOM 1403 O GLY A 88 6.389 -16.752 -1.031 1.00 0.00 O ATOM 0 H GLY A 88 4.168 -19.714 -2.413 1.00 0.00 H new ATOM 0 HA2 GLY A 88 4.857 -19.017 -0.141 1.00 0.00 H new ATOM 0 HA3 GLY A 88 6.515 -19.279 -0.645 1.00 0.00 H new ATOM 1407 N GLU A 89 4.752 -17.234 -2.497 1.00 0.00 N ATOM 1408 CA GLU A 89 4.721 -15.885 -3.054 1.00 0.00 C ATOM 1409 C GLU A 89 3.665 -15.064 -2.322 1.00 0.00 C ATOM 1410 O GLU A 89 2.558 -15.537 -2.093 1.00 0.00 O ATOM 1411 CB GLU A 89 4.454 -15.931 -4.568 1.00 0.00 C ATOM 1412 CG GLU A 89 3.108 -15.360 -4.993 1.00 0.00 C ATOM 1413 CD GLU A 89 3.147 -13.856 -5.182 1.00 0.00 C ATOM 1414 OE1 GLU A 89 3.930 -13.189 -4.474 1.00 0.00 O ATOM 1415 OE2 GLU A 89 2.393 -13.346 -6.037 1.00 0.00 O ATOM 0 H GLU A 89 4.086 -17.883 -2.917 1.00 0.00 H new ATOM 0 HA GLU A 89 5.691 -15.408 -2.913 1.00 0.00 H new ATOM 0 HB2 GLU A 89 5.244 -15.382 -5.080 1.00 0.00 H new ATOM 0 HB3 GLU A 89 4.517 -16.966 -4.903 1.00 0.00 H new ATOM 0 HG2 GLU A 89 2.795 -15.832 -5.924 1.00 0.00 H new ATOM 0 HG3 GLU A 89 2.358 -15.609 -4.242 1.00 0.00 H new ATOM 1422 N LYS A 90 4.011 -13.851 -1.923 1.00 0.00 N ATOM 1423 CA LYS A 90 3.068 -13.018 -1.187 1.00 0.00 C ATOM 1424 C LYS A 90 2.869 -11.634 -1.799 1.00 0.00 C ATOM 1425 O LYS A 90 3.828 -10.923 -2.096 1.00 0.00 O ATOM 1426 CB LYS A 90 3.525 -12.871 0.265 1.00 0.00 C ATOM 1427 CG LYS A 90 3.069 -14.011 1.163 1.00 0.00 C ATOM 1428 CD LYS A 90 4.226 -14.599 1.955 1.00 0.00 C ATOM 1429 CE LYS A 90 3.732 -15.460 3.106 1.00 0.00 C ATOM 1430 NZ LYS A 90 3.140 -14.640 4.198 1.00 0.00 N ATOM 0 H LYS A 90 4.922 -13.424 -2.092 1.00 0.00 H new ATOM 0 HA LYS A 90 2.106 -13.527 -1.238 1.00 0.00 H new ATOM 0 HB2 LYS A 90 4.613 -12.812 0.291 1.00 0.00 H new ATOM 0 HB3 LYS A 90 3.145 -11.931 0.664 1.00 0.00 H new ATOM 0 HG2 LYS A 90 2.304 -13.650 1.850 1.00 0.00 H new ATOM 0 HG3 LYS A 90 2.610 -14.791 0.556 1.00 0.00 H new ATOM 0 HD2 LYS A 90 4.853 -15.198 1.295 1.00 0.00 H new ATOM 0 HD3 LYS A 90 4.849 -13.793 2.343 1.00 0.00 H new ATOM 0 HE2 LYS A 90 2.988 -16.166 2.738 1.00 0.00 H new ATOM 0 HE3 LYS A 90 4.561 -16.048 3.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 3.065 -15.214 5.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 3.747 -13.816 4.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 2.193 -14.316 3.915 1.00 0.00 H new ATOM 1444 N LEU A 91 1.604 -11.240 -1.906 1.00 0.00 N ATOM 1445 CA LEU A 91 1.237 -9.915 -2.391 1.00 0.00 C ATOM 1446 C LEU A 91 0.526 -9.216 -1.257 1.00 0.00 C ATOM 1447 O LEU A 91 -0.685 -9.321 -1.122 1.00 0.00 O ATOM 1448 CB LEU A 91 0.296 -9.990 -3.604 1.00 0.00 C ATOM 1449 CG LEU A 91 0.355 -8.832 -4.614 1.00 0.00 C ATOM 1450 CD1 LEU A 91 -0.906 -7.987 -4.525 1.00 0.00 C ATOM 1451 CD2 LEU A 91 1.584 -7.968 -4.402 1.00 0.00 C ATOM 0 H LEU A 91 0.808 -11.828 -1.660 1.00 0.00 H new ATOM 0 HA LEU A 91 2.133 -9.382 -2.708 1.00 0.00 H new ATOM 0 HB2 LEU A 91 0.508 -10.916 -4.139 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -0.727 -10.063 -3.234 1.00 0.00 H new ATOM 0 HG LEU A 91 0.422 -9.266 -5.612 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -0.849 -7.171 -5.246 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -1.775 -8.606 -4.746 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -0.999 -7.577 -3.520 1.00 0.00 H new ATOM 0 HD21 LEU A 91 1.592 -7.160 -5.134 1.00 0.00 H new ATOM 0 HD22 LEU A 91 1.564 -7.547 -3.397 1.00 0.00 H new ATOM 0 HD23 LEU A 91 2.481 -8.575 -4.523 1.00 0.00 H new ATOM 1463 N TYR A 92 1.284 -8.540 -0.422 1.00 0.00 N ATOM 1464 CA TYR A 92 0.705 -7.868 0.726 1.00 0.00 C ATOM 1465 C TYR A 92 1.420 -6.573 1.051 1.00 0.00 C ATOM 1466 O TYR A 92 2.514 -6.304 0.555 1.00 0.00 O ATOM 1467 CB TYR A 92 0.723 -8.796 1.940 1.00 0.00 C ATOM 1468 CG TYR A 92 2.107 -9.087 2.478 1.00 0.00 C ATOM 1469 CD1 TYR A 92 3.078 -9.681 1.680 1.00 0.00 C ATOM 1470 CD2 TYR A 92 2.441 -8.770 3.789 1.00 0.00 C ATOM 1471 CE1 TYR A 92 4.341 -9.950 2.174 1.00 0.00 C ATOM 1472 CE2 TYR A 92 3.701 -9.036 4.289 1.00 0.00 C ATOM 1473 CZ TYR A 92 4.647 -9.625 3.478 1.00 0.00 C ATOM 1474 OH TYR A 92 5.903 -9.890 3.973 1.00 0.00 O ATOM 0 H TYR A 92 2.295 -8.440 -0.513 1.00 0.00 H new ATOM 0 HA TYR A 92 -0.325 -7.617 0.472 1.00 0.00 H new ATOM 0 HB2 TYR A 92 0.123 -8.350 2.733 1.00 0.00 H new ATOM 0 HB3 TYR A 92 0.245 -9.738 1.671 1.00 0.00 H new ATOM 0 HD1 TYR A 92 2.842 -9.937 0.658 1.00 0.00 H new ATOM 0 HD2 TYR A 92 1.703 -8.308 4.428 1.00 0.00 H new ATOM 0 HE1 TYR A 92 5.084 -10.412 1.541 1.00 0.00 H new ATOM 0 HE2 TYR A 92 3.944 -8.784 5.311 1.00 0.00 H new ATOM 0 HH TYR A 92 5.955 -9.599 4.907 1.00 0.00 H new ATOM 1484 N LEU A 93 0.775 -5.770 1.885 1.00 0.00 N ATOM 1485 CA LEU A 93 1.316 -4.484 2.282 1.00 0.00 C ATOM 1486 C LEU A 93 2.029 -4.562 3.629 1.00 0.00 C ATOM 1487 O LEU A 93 1.511 -4.094 4.642 1.00 0.00 O ATOM 1488 CB LEU A 93 0.196 -3.443 2.347 1.00 0.00 C ATOM 1489 CG LEU A 93 -0.924 -3.611 1.312 1.00 0.00 C ATOM 1490 CD1 LEU A 93 -2.282 -3.630 1.987 1.00 0.00 C ATOM 1491 CD2 LEU A 93 -0.882 -2.500 0.282 1.00 0.00 C ATOM 0 H LEU A 93 -0.130 -5.991 2.301 1.00 0.00 H new ATOM 0 HA LEU A 93 2.050 -4.188 1.532 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -0.246 -3.473 3.343 1.00 0.00 H new ATOM 0 HB3 LEU A 93 0.636 -2.454 2.223 1.00 0.00 H new ATOM 0 HG LEU A 93 -0.766 -4.564 0.807 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -3.061 -3.750 1.234 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -2.327 -4.461 2.691 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -2.436 -2.693 2.522 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -1.686 -2.643 -0.440 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -1.007 -1.538 0.779 1.00 0.00 H new ATOM 0 HD23 LEU A 93 0.077 -2.519 -0.235 1.00 0.00 H new ATOM 1503 N VAL A 94 3.226 -5.141 3.634 1.00 0.00 N ATOM 1504 CA VAL A 94 4.005 -5.255 4.864 1.00 0.00 C ATOM 1505 C VAL A 94 4.259 -3.866 5.456 1.00 0.00 C ATOM 1506 O VAL A 94 3.404 -3.318 6.152 1.00 0.00 O ATOM 1507 CB VAL A 94 5.340 -6.011 4.629 1.00 0.00 C ATOM 1508 CG1 VAL A 94 5.979 -5.611 3.307 1.00 0.00 C ATOM 1509 CG2 VAL A 94 6.311 -5.817 5.792 1.00 0.00 C ATOM 0 H VAL A 94 3.675 -5.536 2.808 1.00 0.00 H new ATOM 0 HA VAL A 94 3.426 -5.841 5.578 1.00 0.00 H new ATOM 0 HB VAL A 94 5.103 -7.074 4.576 1.00 0.00 H new ATOM 0 HG11 VAL A 94 6.912 -6.159 3.173 1.00 0.00 H new ATOM 0 HG12 VAL A 94 5.299 -5.847 2.488 1.00 0.00 H new ATOM 0 HG13 VAL A 94 6.184 -4.540 3.311 1.00 0.00 H new ATOM 0 HG21 VAL A 94 7.234 -6.361 5.590 1.00 0.00 H new ATOM 0 HG22 VAL A 94 6.533 -4.756 5.907 1.00 0.00 H new ATOM 0 HG23 VAL A 94 5.860 -6.195 6.710 1.00 0.00 H new ATOM 1519 N ARG A 95 5.423 -3.295 5.172 1.00 0.00 N ATOM 1520 CA ARG A 95 5.764 -1.969 5.675 1.00 0.00 C ATOM 1521 C ARG A 95 7.056 -1.455 5.080 1.00 0.00 C ATOM 1522 O ARG A 95 7.748 -2.147 4.333 1.00 0.00 O ATOM 1523 CB ARG A 95 5.889 -1.933 7.196 1.00 0.00 C ATOM 1524 CG ARG A 95 4.618 -1.485 7.898 1.00 0.00 C ATOM 1525 CD ARG A 95 4.120 -2.531 8.883 1.00 0.00 C ATOM 1526 NE ARG A 95 3.421 -1.926 10.014 1.00 0.00 N ATOM 1527 CZ ARG A 95 2.568 -2.582 10.797 1.00 0.00 C ATOM 1528 NH1 ARG A 95 2.307 -3.865 10.580 1.00 0.00 N ATOM 1529 NH2 ARG A 95 1.976 -1.952 11.803 1.00 0.00 N ATOM 0 H ARG A 95 6.146 -3.728 4.597 1.00 0.00 H new ATOM 0 HA ARG A 95 4.937 -1.327 5.371 1.00 0.00 H new ATOM 0 HB2 ARG A 95 6.162 -2.926 7.554 1.00 0.00 H new ATOM 0 HB3 ARG A 95 6.702 -1.261 7.470 1.00 0.00 H new ATOM 0 HG2 ARG A 95 4.804 -0.549 8.425 1.00 0.00 H new ATOM 0 HG3 ARG A 95 3.844 -1.286 7.157 1.00 0.00 H new ATOM 0 HD2 ARG A 95 3.451 -3.222 8.371 1.00 0.00 H new ATOM 0 HD3 ARG A 95 4.964 -3.116 9.249 1.00 0.00 H new ATOM 0 HE ARG A 95 3.597 -0.942 10.216 1.00 0.00 H new ATOM 0 HH11 ARG A 95 2.761 -4.355 9.809 1.00 0.00 H new ATOM 0 HH12 ARG A 95 1.652 -4.362 11.184 1.00 0.00 H new ATOM 0 HH21 ARG A 95 2.175 -0.967 11.975 1.00 0.00 H new ATOM 0 HH22 ARG A 95 1.322 -2.453 12.404 1.00 0.00 H new ATOM 1543 N ALA A 96 7.359 -0.221 5.433 1.00 0.00 N ATOM 1544 CA ALA A 96 8.552 0.453 4.972 1.00 0.00 C ATOM 1545 C ALA A 96 9.789 -0.048 5.710 1.00 0.00 C ATOM 1546 O ALA A 96 9.828 -0.061 6.940 1.00 0.00 O ATOM 1547 CB ALA A 96 8.376 1.936 5.199 1.00 0.00 C ATOM 0 H ALA A 96 6.778 0.344 6.052 1.00 0.00 H new ATOM 0 HA ALA A 96 8.697 0.245 3.912 1.00 0.00 H new ATOM 0 HB1 ALA A 96 9.266 2.464 4.858 1.00 0.00 H new ATOM 0 HB2 ALA A 96 7.508 2.289 4.642 1.00 0.00 H new ATOM 0 HB3 ALA A 96 8.226 2.126 6.262 1.00 0.00 H new ATOM 1553 N LEU A 97 10.801 -0.456 4.948 1.00 0.00 N ATOM 1554 CA LEU A 97 12.046 -0.956 5.525 1.00 0.00 C ATOM 1555 C LEU A 97 11.824 -2.292 6.228 1.00 0.00 C ATOM 1556 O LEU A 97 12.288 -3.333 5.764 1.00 0.00 O ATOM 1557 CB LEU A 97 12.627 0.065 6.509 1.00 0.00 C ATOM 1558 CG LEU A 97 14.139 0.272 6.410 1.00 0.00 C ATOM 1559 CD1 LEU A 97 14.880 -0.972 6.874 1.00 0.00 C ATOM 1560 CD2 LEU A 97 14.535 0.631 4.986 1.00 0.00 C ATOM 0 H LEU A 97 10.783 -0.450 3.928 1.00 0.00 H new ATOM 0 HA LEU A 97 12.756 -1.109 4.713 1.00 0.00 H new ATOM 0 HB2 LEU A 97 12.133 1.023 6.348 1.00 0.00 H new ATOM 0 HB3 LEU A 97 12.385 -0.252 7.523 1.00 0.00 H new ATOM 0 HG LEU A 97 14.417 1.099 7.063 1.00 0.00 H new ATOM 0 HD11 LEU A 97 15.954 -0.806 6.796 1.00 0.00 H new ATOM 0 HD12 LEU A 97 14.620 -1.185 7.911 1.00 0.00 H new ATOM 0 HD13 LEU A 97 14.598 -1.818 6.248 1.00 0.00 H new ATOM 0 HD21 LEU A 97 15.614 0.775 4.934 1.00 0.00 H new ATOM 0 HD22 LEU A 97 14.243 -0.175 4.313 1.00 0.00 H new ATOM 0 HD23 LEU A 97 14.032 1.551 4.689 1.00 0.00 H new ATOM 1572 N GLN A 98 11.112 -2.254 7.350 1.00 0.00 N ATOM 1573 CA GLN A 98 10.829 -3.462 8.117 1.00 0.00 C ATOM 1574 C GLN A 98 9.333 -3.758 8.130 1.00 0.00 C ATOM 1575 O GLN A 98 8.541 -2.797 8.231 1.00 0.00 O ATOM 1576 CB GLN A 98 11.349 -3.314 9.549 1.00 0.00 C ATOM 1577 CG GLN A 98 12.234 -4.466 9.996 1.00 0.00 C ATOM 1578 CD GLN A 98 13.705 -4.097 10.013 1.00 0.00 C ATOM 1579 OE1 GLN A 98 14.382 -4.243 11.031 1.00 0.00 O ATOM 1580 NE2 GLN A 98 14.208 -3.617 8.881 1.00 0.00 N ATOM 1581 OXT GLN A 98 8.965 -4.948 8.037 1.00 0.00 O ATOM 0 H GLN A 98 10.721 -1.400 7.748 1.00 0.00 H new ATOM 0 HA GLN A 98 11.340 -4.297 7.639 1.00 0.00 H new ATOM 0 HB2 GLN A 98 11.910 -2.383 9.629 1.00 0.00 H new ATOM 0 HB3 GLN A 98 10.501 -3.234 10.228 1.00 0.00 H new ATOM 0 HG2 GLN A 98 11.932 -4.786 10.993 1.00 0.00 H new ATOM 0 HG3 GLN A 98 12.084 -5.315 9.329 1.00 0.00 H new ATOM 0 HE21 GLN A 98 13.610 -3.513 8.061 1.00 0.00 H new ATOM 0 HE22 GLN A 98 15.192 -3.353 8.832 1.00 0.00 H new