USER MOD reduce.3.24.130724 H: found=0, std=0, add=814, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 811 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 89 CYS SG : rot -120:sc=-0.00572 USER MOD Set 1.2: A 93 ASN : amide:sc= -0.251 K(o=-0.26,f=-1.2) USER MOD Set 2.1: A 29 HIS : no HD1:sc= 1.58 K(o=2.8,f=-9.7!) USER MOD Set 2.2: A 32 TYR OH : rot -27:sc= 1.27 USER MOD Set 3.1: A 17 CYS SG : rot 121:sc= -4.62! USER MOD Set 3.2: A 67 MET CE :methyl 158:sc= -3.72! (180deg=-1.19) USER MOD Single : A 11 SER OG : rot 180:sc= 0.915 USER MOD Single : A 13 HIS : no HD1:sc= -0.0673 X(o=-0.067,f=-0.0015) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 24 MET CE :methyl 146:sc= -0.214 (180deg=-1.01) USER MOD Single : A 26 SER OG : rot 180:sc=-0.00185 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 6:sc= -0.813 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HD1:sc= 0 X(o=0,f=-0.063) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 HIS :FLIP no HD1:sc= 0.293 F(o=-2.1!,f=0.29) USER MOD Single : A 58 MET CE :methyl 162:sc= 0 (180deg=-0.659) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 171:sc= 0.243 (180deg=0.173) USER MOD Single : A 72 TYR OH : rot 61:sc= -1.06 USER MOD Single : A 76 GLN : amide:sc= -0.0125 X(o=-0.013,f=0) USER MOD Single : A 85 MET CE :methyl -145:sc= -0.62 (180deg=-2.2!) USER MOD Single : A 87 SER OG : rot 75:sc= 0.0397 USER MOD Single : A 88 ASN : amide:sc= -1.59 K(o=-1.6,f=-4.6!) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ -149:sc= 0 (180deg=-0.456) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 HIS : no HD1:sc= -1.11 K(o=-1.1,f=-3) USER MOD Single : A 102 MET CE :methyl -110:sc= -2.62 (180deg=-4.63!) USER MOD Single : A 105 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0158) USER MOD Single : A 107 GLN : amide:sc=-0.00977 K(o=-0.0098,f=-1.3) USER MOD Single : A 112 MET CE :methyl -168:sc= -0.0296 (180deg=-0.356) USER MOD Single : A 116 LYS NZ :NH3+ -163:sc=-0.00659 (180deg=-0.256) USER MOD Single : A 117 MET CE :methyl -167:sc= 0 (180deg=-0.24) USER MOD ----------------------------------------------------------------- ATOM 114 N SER A 11 -4.291 17.960 6.574 1.00 0.00 N ATOM 115 CA SER A 11 -5.004 18.740 5.570 1.00 0.00 C ATOM 116 C SER A 11 -6.491 18.399 5.573 1.00 0.00 C ATOM 117 O SER A 11 -6.879 17.271 5.876 1.00 0.00 O ATOM 118 CB SER A 11 -4.414 18.486 4.182 1.00 0.00 C ATOM 119 OG SER A 11 -4.929 17.292 3.619 1.00 0.00 O ATOM 0 HA SER A 11 -4.890 19.795 5.817 1.00 0.00 H new ATOM 0 HB2 SER A 11 -4.641 19.328 3.528 1.00 0.00 H new ATOM 0 HB3 SER A 11 -3.328 18.420 4.252 1.00 0.00 H new ATOM 0 HG SER A 11 -4.537 17.153 2.731 1.00 0.00 H new ATOM 125 N GLU A 12 -7.319 19.382 5.232 1.00 0.00 N ATOM 126 CA GLU A 12 -8.763 19.187 5.196 1.00 0.00 C ATOM 127 C GLU A 12 -9.113 17.827 4.599 1.00 0.00 C ATOM 128 O GLU A 12 -10.123 17.220 4.958 1.00 0.00 O ATOM 129 CB GLU A 12 -9.430 20.299 4.384 1.00 0.00 C ATOM 130 CG GLU A 12 -10.945 20.317 4.506 1.00 0.00 C ATOM 131 CD GLU A 12 -11.547 21.651 4.112 1.00 0.00 C ATOM 132 OE1 GLU A 12 -11.378 22.057 2.943 1.00 0.00 O ATOM 133 OE2 GLU A 12 -12.187 22.290 4.973 1.00 0.00 O ATOM 0 H GLU A 12 -7.014 20.321 4.977 1.00 0.00 H new ATOM 0 HA GLU A 12 -9.134 19.222 6.220 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -9.036 21.262 4.710 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -9.160 20.183 3.334 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -11.366 19.533 3.876 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -11.226 20.086 5.534 1.00 0.00 H new ATOM 140 N HIS A 13 -8.271 17.353 3.686 1.00 0.00 N ATOM 141 CA HIS A 13 -8.491 16.065 3.038 1.00 0.00 C ATOM 142 C HIS A 13 -7.812 14.943 3.818 1.00 0.00 C ATOM 143 O HIS A 13 -8.458 13.976 4.224 1.00 0.00 O ATOM 144 CB HIS A 13 -7.965 16.095 1.603 1.00 0.00 C ATOM 145 CG HIS A 13 -8.601 17.153 0.754 1.00 0.00 C ATOM 146 ND1 HIS A 13 -7.882 18.146 0.124 1.00 0.00 N ATOM 147 CD2 HIS A 13 -9.898 17.367 0.431 1.00 0.00 C ATOM 148 CE1 HIS A 13 -8.709 18.927 -0.548 1.00 0.00 C ATOM 149 NE2 HIS A 13 -9.938 18.475 -0.379 1.00 0.00 N ATOM 0 H HIS A 13 -7.430 17.842 3.378 1.00 0.00 H new ATOM 0 HA HIS A 13 -9.564 15.874 3.019 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -6.887 16.256 1.623 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -8.133 15.121 1.143 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -10.744 16.776 0.751 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -8.428 19.788 -1.136 1.00 0.00 H new ATOM 0 HE2 HIS A 13 -10.780 18.883 -0.784 1.00 0.00 H new ATOM 157 N LEU A 14 -6.506 15.077 4.022 1.00 0.00 N ATOM 158 CA LEU A 14 -5.739 14.073 4.752 1.00 0.00 C ATOM 159 C LEU A 14 -6.464 13.656 6.028 1.00 0.00 C ATOM 160 O LEU A 14 -6.714 12.472 6.252 1.00 0.00 O ATOM 161 CB LEU A 14 -4.350 14.615 5.095 1.00 0.00 C ATOM 162 CG LEU A 14 -3.334 14.628 3.952 1.00 0.00 C ATOM 163 CD1 LEU A 14 -2.060 15.339 4.379 1.00 0.00 C ATOM 164 CD2 LEU A 14 -3.027 13.209 3.496 1.00 0.00 C ATOM 0 H LEU A 14 -5.956 15.870 3.692 1.00 0.00 H new ATOM 0 HA LEU A 14 -5.633 13.196 4.113 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.461 15.633 5.467 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.941 14.020 5.911 1.00 0.00 H new ATOM 0 HG LEU A 14 -3.766 15.173 3.113 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.349 15.338 3.553 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.293 16.367 4.657 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.624 14.822 5.234 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -2.302 13.237 2.682 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.615 12.640 4.329 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -3.944 12.732 3.149 1.00 0.00 H new ATOM 176 N ARG A 15 -6.801 14.637 6.859 1.00 0.00 N ATOM 177 CA ARG A 15 -7.498 14.371 8.111 1.00 0.00 C ATOM 178 C ARG A 15 -8.555 13.286 7.926 1.00 0.00 C ATOM 179 O ARG A 15 -8.903 12.577 8.870 1.00 0.00 O ATOM 180 CB ARG A 15 -8.152 15.651 8.637 1.00 0.00 C ATOM 181 CG ARG A 15 -9.049 16.338 7.621 1.00 0.00 C ATOM 182 CD ARG A 15 -10.463 15.778 7.658 1.00 0.00 C ATOM 183 NE ARG A 15 -11.211 16.257 8.817 1.00 0.00 N ATOM 184 CZ ARG A 15 -11.303 15.586 9.960 1.00 0.00 C ATOM 185 NH1 ARG A 15 -10.697 14.415 10.096 1.00 0.00 N ATOM 186 NH2 ARG A 15 -12.002 16.087 10.970 1.00 0.00 N ATOM 0 H ARG A 15 -6.603 15.623 6.688 1.00 0.00 H new ATOM 0 HA ARG A 15 -6.766 14.020 8.838 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -8.739 15.411 9.524 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -7.372 16.346 8.949 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -9.075 17.409 7.822 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -8.632 16.212 6.622 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -10.989 16.060 6.746 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -10.421 14.689 7.678 1.00 0.00 H new ATOM 0 HE ARG A 15 -11.689 17.155 8.745 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -10.158 14.027 9.322 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -10.769 13.902 10.975 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -12.469 16.988 10.869 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -12.072 15.571 11.847 1.00 0.00 H new ATOM 200 N TYR A 16 -9.061 13.164 6.704 1.00 0.00 N ATOM 201 CA TYR A 16 -10.080 12.168 6.395 1.00 0.00 C ATOM 202 C TYR A 16 -9.442 10.853 5.958 1.00 0.00 C ATOM 203 O TYR A 16 -9.901 9.773 6.331 1.00 0.00 O ATOM 204 CB TYR A 16 -11.013 12.685 5.299 1.00 0.00 C ATOM 205 CG TYR A 16 -12.064 11.684 4.876 1.00 0.00 C ATOM 206 CD1 TYR A 16 -11.720 10.547 4.155 1.00 0.00 C ATOM 207 CD2 TYR A 16 -13.402 11.874 5.199 1.00 0.00 C ATOM 208 CE1 TYR A 16 -12.677 9.630 3.766 1.00 0.00 C ATOM 209 CE2 TYR A 16 -14.366 10.961 4.816 1.00 0.00 C ATOM 210 CZ TYR A 16 -13.999 9.842 4.099 1.00 0.00 C ATOM 211 OH TYR A 16 -14.955 8.930 3.715 1.00 0.00 O ATOM 0 H TYR A 16 -8.782 13.742 5.911 1.00 0.00 H new ATOM 0 HA TYR A 16 -10.660 11.986 7.300 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -11.507 13.591 5.651 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -10.418 12.964 4.429 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -10.686 10.377 3.894 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -13.694 12.750 5.759 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -12.392 8.752 3.205 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -15.401 11.123 5.077 1.00 0.00 H new ATOM 0 HH TYR A 16 -15.835 9.226 4.029 1.00 0.00 H new ATOM 221 N CYS A 17 -8.381 10.953 5.165 1.00 0.00 N ATOM 222 CA CYS A 17 -7.678 9.773 4.675 1.00 0.00 C ATOM 223 C CYS A 17 -6.996 9.032 5.820 1.00 0.00 C ATOM 224 O CYS A 17 -6.790 7.820 5.753 1.00 0.00 O ATOM 225 CB CYS A 17 -6.644 10.170 3.620 1.00 0.00 C ATOM 226 SG CYS A 17 -5.031 10.621 4.302 1.00 0.00 S ATOM 0 H CYS A 17 -7.989 11.839 4.848 1.00 0.00 H new ATOM 0 HA CYS A 17 -8.411 9.107 4.221 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -6.514 9.341 2.924 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -7.032 11.011 3.045 1.00 0.00 H new ATOM 0 HG CYS A 17 -4.117 9.839 3.808 1.00 0.00 H new ATOM 232 N ASP A 18 -6.647 9.768 6.869 1.00 0.00 N ATOM 233 CA ASP A 18 -5.986 9.182 8.029 1.00 0.00 C ATOM 234 C ASP A 18 -6.759 7.969 8.539 1.00 0.00 C ATOM 235 O ASP A 18 -6.178 7.042 9.103 1.00 0.00 O ATOM 236 CB ASP A 18 -5.849 10.220 9.144 1.00 0.00 C ATOM 237 CG ASP A 18 -5.703 9.585 10.513 1.00 0.00 C ATOM 238 OD1 ASP A 18 -4.612 9.052 10.806 1.00 0.00 O ATOM 239 OD2 ASP A 18 -6.679 9.621 11.290 1.00 0.00 O ATOM 0 H ASP A 18 -6.811 10.772 6.940 1.00 0.00 H new ATOM 0 HA ASP A 18 -4.992 8.856 7.723 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -4.982 10.850 8.945 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -6.724 10.870 9.140 1.00 0.00 H new ATOM 244 N SER A 19 -8.073 7.984 8.337 1.00 0.00 N ATOM 245 CA SER A 19 -8.926 6.888 8.781 1.00 0.00 C ATOM 246 C SER A 19 -8.915 5.746 7.769 1.00 0.00 C ATOM 247 O SER A 19 -8.728 4.584 8.130 1.00 0.00 O ATOM 248 CB SER A 19 -10.359 7.382 8.993 1.00 0.00 C ATOM 249 OG SER A 19 -10.374 8.622 9.679 1.00 0.00 O ATOM 0 H SER A 19 -8.569 8.742 7.869 1.00 0.00 H new ATOM 0 HA SER A 19 -8.533 6.516 9.727 1.00 0.00 H new ATOM 0 HB2 SER A 19 -10.856 7.490 8.029 1.00 0.00 H new ATOM 0 HB3 SER A 19 -10.922 6.642 9.561 1.00 0.00 H new ATOM 0 HG SER A 19 -11.300 8.917 9.801 1.00 0.00 H new ATOM 255 N ILE A 20 -9.116 6.087 6.500 1.00 0.00 N ATOM 256 CA ILE A 20 -9.128 5.092 5.435 1.00 0.00 C ATOM 257 C ILE A 20 -8.063 4.026 5.668 1.00 0.00 C ATOM 258 O ILE A 20 -8.214 2.879 5.244 1.00 0.00 O ATOM 259 CB ILE A 20 -8.897 5.740 4.057 1.00 0.00 C ATOM 260 CG1 ILE A 20 -10.012 6.740 3.747 1.00 0.00 C ATOM 261 CG2 ILE A 20 -8.821 4.672 2.976 1.00 0.00 C ATOM 262 CD1 ILE A 20 -9.858 7.419 2.404 1.00 0.00 C ATOM 0 H ILE A 20 -9.273 7.044 6.185 1.00 0.00 H new ATOM 0 HA ILE A 20 -10.114 4.627 5.448 1.00 0.00 H new ATOM 0 HB ILE A 20 -7.948 6.276 4.078 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -10.971 6.223 3.776 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -10.036 7.499 4.529 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -8.658 5.145 2.008 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -7.996 3.994 3.192 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -9.755 4.111 2.952 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -10.683 8.114 2.251 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -8.915 7.964 2.378 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -9.865 6.668 1.614 1.00 0.00 H new ATOM 274 N LEU A 21 -6.986 4.410 6.344 1.00 0.00 N ATOM 275 CA LEU A 21 -5.895 3.486 6.636 1.00 0.00 C ATOM 276 C LEU A 21 -6.185 2.683 7.900 1.00 0.00 C ATOM 277 O LEU A 21 -6.098 1.455 7.900 1.00 0.00 O ATOM 278 CB LEU A 21 -4.581 4.252 6.795 1.00 0.00 C ATOM 279 CG LEU A 21 -3.429 3.481 7.441 1.00 0.00 C ATOM 280 CD1 LEU A 21 -3.047 2.280 6.590 1.00 0.00 C ATOM 281 CD2 LEU A 21 -2.228 4.393 7.649 1.00 0.00 C ATOM 0 H LEU A 21 -6.844 5.355 6.700 1.00 0.00 H new ATOM 0 HA LEU A 21 -5.805 2.792 5.800 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -4.259 4.589 5.810 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.774 5.144 7.390 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.759 3.120 8.415 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.226 1.744 7.065 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.906 1.616 6.492 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -2.735 2.619 5.602 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -1.418 3.828 8.110 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -1.897 4.784 6.687 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -2.508 5.221 8.300 1.00 0.00 H new ATOM 293 N ARG A 22 -6.532 3.384 8.974 1.00 0.00 N ATOM 294 CA ARG A 22 -6.836 2.736 10.244 1.00 0.00 C ATOM 295 C ARG A 22 -7.860 1.620 10.054 1.00 0.00 C ATOM 296 O ARG A 22 -7.900 0.664 10.827 1.00 0.00 O ATOM 297 CB ARG A 22 -7.364 3.760 11.250 1.00 0.00 C ATOM 298 CG ARG A 22 -8.875 3.918 11.224 1.00 0.00 C ATOM 299 CD ARG A 22 -9.362 4.810 12.355 1.00 0.00 C ATOM 300 NE ARG A 22 -10.816 4.946 12.357 1.00 0.00 N ATOM 301 CZ ARG A 22 -11.466 5.880 13.043 1.00 0.00 C ATOM 302 NH1 ARG A 22 -10.794 6.756 13.778 1.00 0.00 N ATOM 303 NH2 ARG A 22 -12.791 5.939 12.995 1.00 0.00 N ATOM 0 H ARG A 22 -6.610 4.401 8.990 1.00 0.00 H new ATOM 0 HA ARG A 22 -5.915 2.299 10.630 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -7.056 3.464 12.253 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -6.903 4.727 11.047 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -9.181 4.342 10.268 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -9.346 2.938 11.304 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -9.035 4.397 13.309 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -8.906 5.796 12.262 1.00 0.00 H new ATOM 0 HE ARG A 22 -11.362 4.288 11.801 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -9.776 6.714 13.818 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -11.296 7.472 14.304 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -13.311 5.267 12.431 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -13.289 6.656 13.522 1.00 0.00 H new ATOM 317 N GLU A 23 -8.685 1.751 9.020 1.00 0.00 N ATOM 318 CA GLU A 23 -9.709 0.754 8.730 1.00 0.00 C ATOM 319 C GLU A 23 -9.110 -0.444 7.999 1.00 0.00 C ATOM 320 O GLU A 23 -9.474 -1.590 8.263 1.00 0.00 O ATOM 321 CB GLU A 23 -10.828 1.371 7.888 1.00 0.00 C ATOM 322 CG GLU A 23 -11.596 0.355 7.059 1.00 0.00 C ATOM 323 CD GLU A 23 -12.450 -0.566 7.908 1.00 0.00 C ATOM 324 OE1 GLU A 23 -12.021 -0.903 9.032 1.00 0.00 O ATOM 325 OE2 GLU A 23 -13.546 -0.951 7.449 1.00 0.00 O ATOM 0 H GLU A 23 -8.664 2.537 8.370 1.00 0.00 H new ATOM 0 HA GLU A 23 -10.124 0.410 9.677 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -11.524 1.890 8.547 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -10.400 2.121 7.223 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -12.232 0.880 6.346 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -10.892 -0.241 6.479 1.00 0.00 H new ATOM 332 N MET A 24 -8.191 -0.171 7.080 1.00 0.00 N ATOM 333 CA MET A 24 -7.541 -1.226 6.312 1.00 0.00 C ATOM 334 C MET A 24 -6.596 -2.037 7.193 1.00 0.00 C ATOM 335 O MET A 24 -6.050 -3.055 6.764 1.00 0.00 O ATOM 336 CB MET A 24 -6.770 -0.628 5.133 1.00 0.00 C ATOM 337 CG MET A 24 -7.662 0.034 4.096 1.00 0.00 C ATOM 338 SD MET A 24 -6.854 1.414 3.264 1.00 0.00 S ATOM 339 CE MET A 24 -5.289 0.669 2.815 1.00 0.00 C ATOM 0 H MET A 24 -7.879 0.772 6.849 1.00 0.00 H new ATOM 0 HA MET A 24 -8.315 -1.892 5.930 1.00 0.00 H new ATOM 0 HB2 MET A 24 -6.058 0.107 5.510 1.00 0.00 H new ATOM 0 HB3 MET A 24 -6.190 -1.416 4.652 1.00 0.00 H new ATOM 0 HG2 MET A 24 -7.962 -0.707 3.355 1.00 0.00 H new ATOM 0 HG3 MET A 24 -8.572 0.389 4.579 1.00 0.00 H new ATOM 0 HE1 MET A 24 -4.950 1.080 1.864 1.00 0.00 H new ATOM 0 HE2 MET A 24 -4.550 0.883 3.587 1.00 0.00 H new ATOM 0 HE3 MET A 24 -5.413 -0.410 2.721 1.00 0.00 H new ATOM 349 N LEU A 25 -6.408 -1.581 8.426 1.00 0.00 N ATOM 350 CA LEU A 25 -5.528 -2.265 9.369 1.00 0.00 C ATOM 351 C LEU A 25 -6.337 -3.035 10.408 1.00 0.00 C ATOM 352 O LEU A 25 -5.853 -3.314 11.504 1.00 0.00 O ATOM 353 CB LEU A 25 -4.611 -1.257 10.064 1.00 0.00 C ATOM 354 CG LEU A 25 -3.309 -0.921 9.336 1.00 0.00 C ATOM 355 CD1 LEU A 25 -2.394 -2.135 9.292 1.00 0.00 C ATOM 356 CD2 LEU A 25 -3.599 -0.418 7.930 1.00 0.00 C ATOM 0 H LEU A 25 -6.852 -0.741 8.797 1.00 0.00 H new ATOM 0 HA LEU A 25 -4.919 -2.976 8.810 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.169 -0.333 10.215 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -4.362 -1.644 11.052 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.801 -0.129 9.886 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.472 -1.877 8.770 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.159 -2.451 10.309 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.894 -2.948 8.766 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.661 -0.184 7.427 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -4.129 -1.189 7.370 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -4.215 0.479 7.985 1.00 0.00 H new ATOM 368 N SER A 26 -7.571 -3.379 10.054 1.00 0.00 N ATOM 369 CA SER A 26 -8.448 -4.116 10.956 1.00 0.00 C ATOM 370 C SER A 26 -8.360 -5.616 10.694 1.00 0.00 C ATOM 371 O SER A 26 -8.026 -6.047 9.590 1.00 0.00 O ATOM 372 CB SER A 26 -9.894 -3.643 10.795 1.00 0.00 C ATOM 373 OG SER A 26 -10.762 -4.351 11.663 1.00 0.00 O ATOM 0 H SER A 26 -7.986 -3.159 9.149 1.00 0.00 H new ATOM 0 HA SER A 26 -8.122 -3.923 11.978 1.00 0.00 H new ATOM 0 HB2 SER A 26 -9.956 -2.575 11.005 1.00 0.00 H new ATOM 0 HB3 SER A 26 -10.213 -3.784 9.762 1.00 0.00 H new ATOM 0 HG SER A 26 -11.680 -4.029 11.542 1.00 0.00 H new ATOM 379 N LYS A 27 -8.662 -6.407 11.718 1.00 0.00 N ATOM 380 CA LYS A 27 -8.619 -7.860 11.601 1.00 0.00 C ATOM 381 C LYS A 27 -9.580 -8.348 10.521 1.00 0.00 C ATOM 382 O LYS A 27 -9.271 -9.277 9.774 1.00 0.00 O ATOM 383 CB LYS A 27 -8.968 -8.511 12.941 1.00 0.00 C ATOM 384 CG LYS A 27 -10.364 -8.174 13.436 1.00 0.00 C ATOM 385 CD LYS A 27 -11.393 -9.163 12.916 1.00 0.00 C ATOM 386 CE LYS A 27 -11.561 -10.342 13.863 1.00 0.00 C ATOM 387 NZ LYS A 27 -12.399 -11.418 13.266 1.00 0.00 N ATOM 0 H LYS A 27 -8.939 -6.066 12.639 1.00 0.00 H new ATOM 0 HA LYS A 27 -7.606 -8.147 11.318 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -8.877 -9.593 12.844 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -8.240 -8.196 13.689 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -10.375 -8.175 14.526 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -10.631 -7.167 13.116 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -12.351 -8.659 12.787 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -11.088 -9.524 11.934 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -10.581 -10.745 14.119 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -12.017 -10.000 14.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -12.489 -12.203 13.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -13.343 -11.041 13.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -11.951 -11.763 12.393 1.00 0.00 H new ATOM 401 N LYS A 28 -10.746 -7.715 10.444 1.00 0.00 N ATOM 402 CA LYS A 28 -11.751 -8.083 9.454 1.00 0.00 C ATOM 403 C LYS A 28 -11.142 -8.147 8.057 1.00 0.00 C ATOM 404 O LYS A 28 -11.171 -9.191 7.404 1.00 0.00 O ATOM 405 CB LYS A 28 -12.905 -7.078 9.473 1.00 0.00 C ATOM 406 CG LYS A 28 -14.135 -7.550 8.716 1.00 0.00 C ATOM 407 CD LYS A 28 -15.104 -6.408 8.460 1.00 0.00 C ATOM 408 CE LYS A 28 -16.212 -6.821 7.502 1.00 0.00 C ATOM 409 NZ LYS A 28 -17.381 -7.398 8.222 1.00 0.00 N ATOM 0 H LYS A 28 -11.018 -6.945 11.055 1.00 0.00 H new ATOM 0 HA LYS A 28 -12.132 -9.072 9.710 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -13.181 -6.874 10.508 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -12.563 -6.137 9.043 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -13.832 -7.991 7.766 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -14.636 -8.333 9.286 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -15.541 -6.081 9.404 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -14.563 -5.556 8.047 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -16.533 -5.955 6.923 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -15.825 -7.553 6.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -18.114 -7.667 7.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -17.080 -8.239 8.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -17.766 -6.691 8.881 1.00 0.00 H new ATOM 423 N HIS A 29 -10.589 -7.026 7.605 1.00 0.00 N ATOM 424 CA HIS A 29 -9.971 -6.956 6.286 1.00 0.00 C ATOM 425 C HIS A 29 -8.644 -7.710 6.268 1.00 0.00 C ATOM 426 O HIS A 29 -8.227 -8.227 5.232 1.00 0.00 O ATOM 427 CB HIS A 29 -9.748 -5.499 5.880 1.00 0.00 C ATOM 428 CG HIS A 29 -11.006 -4.686 5.855 1.00 0.00 C ATOM 429 ND1 HIS A 29 -12.206 -5.170 5.379 1.00 0.00 N ATOM 430 CD2 HIS A 29 -11.246 -3.415 6.253 1.00 0.00 C ATOM 431 CE1 HIS A 29 -13.130 -4.232 5.483 1.00 0.00 C ATOM 432 NE2 HIS A 29 -12.573 -3.156 6.011 1.00 0.00 N ATOM 0 H HIS A 29 -10.556 -6.154 8.133 1.00 0.00 H new ATOM 0 HA HIS A 29 -10.646 -7.425 5.570 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -9.043 -5.041 6.573 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -9.288 -5.472 4.892 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -10.528 -2.732 6.681 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -14.164 -4.328 5.187 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -13.051 -2.276 6.207 1.00 0.00 H new ATOM 440 N ALA A 30 -7.985 -7.767 7.421 1.00 0.00 N ATOM 441 CA ALA A 30 -6.707 -8.458 7.537 1.00 0.00 C ATOM 442 C ALA A 30 -6.708 -9.752 6.731 1.00 0.00 C ATOM 443 O ALA A 30 -5.721 -10.088 6.077 1.00 0.00 O ATOM 444 CB ALA A 30 -6.392 -8.743 8.998 1.00 0.00 C ATOM 0 H ALA A 30 -8.315 -7.343 8.288 1.00 0.00 H new ATOM 0 HA ALA A 30 -5.932 -7.808 7.130 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -5.435 -9.259 9.070 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -6.340 -7.804 9.549 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -7.175 -9.370 9.423 1.00 0.00 H new ATOM 450 N ALA A 31 -7.821 -10.477 6.785 1.00 0.00 N ATOM 451 CA ALA A 31 -7.949 -11.734 6.059 1.00 0.00 C ATOM 452 C ALA A 31 -7.399 -11.609 4.642 1.00 0.00 C ATOM 453 O ALA A 31 -6.619 -12.449 4.193 1.00 0.00 O ATOM 454 CB ALA A 31 -9.405 -12.177 6.025 1.00 0.00 C ATOM 0 H ALA A 31 -8.646 -10.215 7.324 1.00 0.00 H new ATOM 0 HA ALA A 31 -7.362 -12.489 6.582 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -9.487 -13.117 5.480 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -9.767 -12.316 7.044 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -10.005 -11.416 5.527 1.00 0.00 H new ATOM 460 N TYR A 32 -7.810 -10.557 3.944 1.00 0.00 N ATOM 461 CA TYR A 32 -7.360 -10.324 2.576 1.00 0.00 C ATOM 462 C TYR A 32 -6.513 -9.058 2.490 1.00 0.00 C ATOM 463 O TYR A 32 -6.378 -8.460 1.423 1.00 0.00 O ATOM 464 CB TYR A 32 -8.561 -10.213 1.634 1.00 0.00 C ATOM 465 CG TYR A 32 -9.722 -9.443 2.221 1.00 0.00 C ATOM 466 CD1 TYR A 32 -9.771 -8.056 2.144 1.00 0.00 C ATOM 467 CD2 TYR A 32 -10.770 -10.101 2.851 1.00 0.00 C ATOM 468 CE1 TYR A 32 -10.829 -7.348 2.679 1.00 0.00 C ATOM 469 CE2 TYR A 32 -11.834 -9.402 3.388 1.00 0.00 C ATOM 470 CZ TYR A 32 -11.858 -8.025 3.300 1.00 0.00 C ATOM 471 OH TYR A 32 -12.915 -7.324 3.833 1.00 0.00 O ATOM 0 H TYR A 32 -8.454 -9.852 4.302 1.00 0.00 H new ATOM 0 HA TYR A 32 -6.746 -11.172 2.273 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -8.244 -9.728 0.711 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -8.898 -11.215 1.369 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -8.968 -7.523 1.657 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -10.753 -11.178 2.923 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -10.851 -6.270 2.612 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -12.642 -9.930 3.873 1.00 0.00 H new ATOM 0 HH TYR A 32 -12.618 -6.424 4.082 1.00 0.00 H new ATOM 481 N ALA A 33 -5.944 -8.657 3.622 1.00 0.00 N ATOM 482 CA ALA A 33 -5.107 -7.464 3.675 1.00 0.00 C ATOM 483 C ALA A 33 -3.812 -7.736 4.431 1.00 0.00 C ATOM 484 O ALA A 33 -2.984 -6.841 4.605 1.00 0.00 O ATOM 485 CB ALA A 33 -5.867 -6.315 4.320 1.00 0.00 C ATOM 0 H ALA A 33 -6.047 -9.140 4.514 1.00 0.00 H new ATOM 0 HA ALA A 33 -4.848 -7.185 2.654 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -5.230 -5.431 4.353 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -6.761 -6.097 3.736 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -6.155 -6.593 5.334 1.00 0.00 H new ATOM 491 N TRP A 34 -3.643 -8.974 4.880 1.00 0.00 N ATOM 492 CA TRP A 34 -2.447 -9.363 5.619 1.00 0.00 C ATOM 493 C TRP A 34 -1.274 -9.598 4.673 1.00 0.00 C ATOM 494 O TRP A 34 -0.111 -9.397 5.021 1.00 0.00 O ATOM 495 CB TRP A 34 -2.717 -10.626 6.439 1.00 0.00 C ATOM 496 CG TRP A 34 -2.898 -11.853 5.598 1.00 0.00 C ATOM 497 CD1 TRP A 34 -4.068 -12.512 5.351 1.00 0.00 C ATOM 498 CD2 TRP A 34 -1.876 -12.568 4.895 1.00 0.00 C ATOM 499 NE1 TRP A 34 -3.836 -13.594 4.537 1.00 0.00 N ATOM 500 CE2 TRP A 34 -2.499 -13.650 4.242 1.00 0.00 C ATOM 501 CE3 TRP A 34 -0.497 -12.399 4.751 1.00 0.00 C ATOM 502 CZ2 TRP A 34 -1.788 -14.556 3.460 1.00 0.00 C ATOM 503 CZ3 TRP A 34 0.208 -13.300 3.975 1.00 0.00 C ATOM 504 CH2 TRP A 34 -0.438 -14.367 3.337 1.00 0.00 C ATOM 0 H TRP A 34 -4.319 -9.726 4.746 1.00 0.00 H new ATOM 0 HA TRP A 34 -2.187 -8.548 6.294 1.00 0.00 H new ATOM 0 HB2 TRP A 34 -1.889 -10.786 7.129 1.00 0.00 H new ATOM 0 HB3 TRP A 34 -3.611 -10.474 7.044 1.00 0.00 H new ATOM 0 HD1 TRP A 34 -5.034 -12.225 5.739 1.00 0.00 H new ATOM 0 HE1 TRP A 34 -4.544 -14.249 4.206 1.00 0.00 H new ATOM 0 HE3 TRP A 34 0.010 -11.579 5.237 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 -2.284 -15.379 2.968 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 1.275 -13.179 3.859 1.00 0.00 H new ATOM 0 HH2 TRP A 34 0.140 -15.054 2.737 1.00 0.00 H new ATOM 515 N PRO A 35 -1.583 -10.033 3.443 1.00 0.00 N ATOM 516 CA PRO A 35 -0.482 -10.270 2.505 1.00 0.00 C ATOM 517 C PRO A 35 0.503 -9.106 2.461 1.00 0.00 C ATOM 518 O PRO A 35 1.644 -9.261 2.027 1.00 0.00 O ATOM 519 CB PRO A 35 -1.190 -10.422 1.157 1.00 0.00 C ATOM 520 CG PRO A 35 -2.560 -10.896 1.500 1.00 0.00 C ATOM 521 CD PRO A 35 -2.896 -10.328 2.845 1.00 0.00 C ATOM 0 HA PRO A 35 0.115 -11.137 2.788 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -1.222 -9.475 0.618 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -0.673 -11.136 0.516 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -3.281 -10.567 0.751 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -2.597 -11.985 1.521 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -3.506 -9.429 2.758 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -3.460 -11.039 3.449 1.00 0.00 H new ATOM 529 N PHE A 36 0.053 -7.940 2.914 1.00 0.00 N ATOM 530 CA PHE A 36 0.895 -6.749 2.925 1.00 0.00 C ATOM 531 C PHE A 36 1.308 -6.389 4.349 1.00 0.00 C ATOM 532 O PHE A 36 2.341 -5.755 4.566 1.00 0.00 O ATOM 533 CB PHE A 36 0.158 -5.572 2.283 1.00 0.00 C ATOM 534 CG PHE A 36 -0.631 -5.953 1.064 1.00 0.00 C ATOM 535 CD1 PHE A 36 -1.848 -6.604 1.185 1.00 0.00 C ATOM 536 CD2 PHE A 36 -0.157 -5.659 -0.205 1.00 0.00 C ATOM 537 CE1 PHE A 36 -2.577 -6.956 0.065 1.00 0.00 C ATOM 538 CE2 PHE A 36 -0.882 -6.008 -1.329 1.00 0.00 C ATOM 539 CZ PHE A 36 -2.093 -6.656 -1.194 1.00 0.00 C ATOM 0 H PHE A 36 -0.889 -7.795 3.278 1.00 0.00 H new ATOM 0 HA PHE A 36 1.794 -6.964 2.348 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -0.515 -5.130 3.018 1.00 0.00 H new ATOM 0 HB3 PHE A 36 0.883 -4.804 2.012 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -2.232 -6.839 2.167 1.00 0.00 H new ATOM 0 HD2 PHE A 36 0.790 -5.151 -0.317 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -3.523 -7.465 0.174 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -0.501 -5.774 -2.312 1.00 0.00 H new ATOM 0 HZ PHE A 36 -2.661 -6.928 -2.071 1.00 0.00 H new ATOM 549 N TYR A 37 0.494 -6.798 5.316 1.00 0.00 N ATOM 550 CA TYR A 37 0.772 -6.517 6.720 1.00 0.00 C ATOM 551 C TYR A 37 2.252 -6.714 7.032 1.00 0.00 C ATOM 552 O TYR A 37 2.913 -5.820 7.560 1.00 0.00 O ATOM 553 CB TYR A 37 -0.075 -7.417 7.620 1.00 0.00 C ATOM 554 CG TYR A 37 -1.435 -6.842 7.944 1.00 0.00 C ATOM 555 CD1 TYR A 37 -2.117 -6.056 7.023 1.00 0.00 C ATOM 556 CD2 TYR A 37 -2.039 -7.082 9.173 1.00 0.00 C ATOM 557 CE1 TYR A 37 -3.359 -5.528 7.315 1.00 0.00 C ATOM 558 CE2 TYR A 37 -3.281 -6.559 9.473 1.00 0.00 C ATOM 559 CZ TYR A 37 -3.937 -5.782 8.541 1.00 0.00 C ATOM 560 OH TYR A 37 -5.175 -5.258 8.837 1.00 0.00 O ATOM 0 H TYR A 37 -0.364 -7.325 5.153 1.00 0.00 H new ATOM 0 HA TYR A 37 0.514 -5.476 6.914 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -0.205 -8.384 7.134 1.00 0.00 H new ATOM 0 HB3 TYR A 37 0.464 -7.598 8.550 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -1.668 -5.855 6.062 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -1.528 -7.688 9.906 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -3.875 -4.919 6.587 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -3.736 -6.757 10.432 1.00 0.00 H new ATOM 0 HH TYR A 37 -5.541 -4.816 8.043 1.00 0.00 H new ATOM 570 N LYS A 38 2.767 -7.894 6.701 1.00 0.00 N ATOM 571 CA LYS A 38 4.170 -8.212 6.944 1.00 0.00 C ATOM 572 C LYS A 38 5.046 -7.711 5.800 1.00 0.00 C ATOM 573 O LYS A 38 4.600 -7.566 4.662 1.00 0.00 O ATOM 574 CB LYS A 38 4.349 -9.722 7.115 1.00 0.00 C ATOM 575 CG LYS A 38 3.792 -10.256 8.423 1.00 0.00 C ATOM 576 CD LYS A 38 4.809 -10.149 9.547 1.00 0.00 C ATOM 577 CE LYS A 38 4.159 -10.348 10.908 1.00 0.00 C ATOM 578 NZ LYS A 38 5.018 -9.840 12.013 1.00 0.00 N ATOM 0 H LYS A 38 2.234 -8.646 6.264 1.00 0.00 H new ATOM 0 HA LYS A 38 4.478 -7.710 7.861 1.00 0.00 H new ATOM 0 HB2 LYS A 38 3.860 -10.234 6.286 1.00 0.00 H new ATOM 0 HB3 LYS A 38 5.411 -9.963 7.057 1.00 0.00 H new ATOM 0 HG2 LYS A 38 2.893 -9.701 8.690 1.00 0.00 H new ATOM 0 HG3 LYS A 38 3.497 -11.298 8.296 1.00 0.00 H new ATOM 0 HD2 LYS A 38 5.591 -10.895 9.404 1.00 0.00 H new ATOM 0 HD3 LYS A 38 5.290 -9.172 9.512 1.00 0.00 H new ATOM 0 HE2 LYS A 38 3.198 -9.834 10.930 1.00 0.00 H new ATOM 0 HE3 LYS A 38 3.958 -11.408 11.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 4.540 -9.994 12.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 5.926 -10.348 12.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 5.189 -8.823 11.880 1.00 0.00 H new ATOM 592 N PRO A 39 6.324 -7.442 6.107 1.00 0.00 N ATOM 593 CA PRO A 39 7.290 -6.956 5.117 1.00 0.00 C ATOM 594 C PRO A 39 7.659 -8.024 4.094 1.00 0.00 C ATOM 595 O PRO A 39 7.240 -9.176 4.206 1.00 0.00 O ATOM 596 CB PRO A 39 8.509 -6.584 5.965 1.00 0.00 C ATOM 597 CG PRO A 39 8.397 -7.434 7.184 1.00 0.00 C ATOM 598 CD PRO A 39 6.924 -7.592 7.443 1.00 0.00 C ATOM 0 HA PRO A 39 6.892 -6.128 4.531 1.00 0.00 H new ATOM 0 HB2 PRO A 39 9.438 -6.780 5.430 1.00 0.00 H new ATOM 0 HB3 PRO A 39 8.505 -5.524 6.220 1.00 0.00 H new ATOM 0 HG2 PRO A 39 8.872 -8.403 7.030 1.00 0.00 H new ATOM 0 HG3 PRO A 39 8.895 -6.966 8.033 1.00 0.00 H new ATOM 0 HD2 PRO A 39 6.695 -8.564 7.879 1.00 0.00 H new ATOM 0 HD3 PRO A 39 6.555 -6.836 8.136 1.00 0.00 H new ATOM 606 N VAL A 40 8.445 -7.634 3.095 1.00 0.00 N ATOM 607 CA VAL A 40 8.871 -8.559 2.052 1.00 0.00 C ATOM 608 C VAL A 40 10.386 -8.530 1.877 1.00 0.00 C ATOM 609 O VAL A 40 10.952 -7.527 1.443 1.00 0.00 O ATOM 610 CB VAL A 40 8.203 -8.231 0.703 1.00 0.00 C ATOM 611 CG1 VAL A 40 8.746 -9.133 -0.395 1.00 0.00 C ATOM 612 CG2 VAL A 40 6.692 -8.360 0.813 1.00 0.00 C ATOM 0 H VAL A 40 8.799 -6.684 2.986 1.00 0.00 H new ATOM 0 HA VAL A 40 8.563 -9.556 2.368 1.00 0.00 H new ATOM 0 HB VAL A 40 8.438 -7.199 0.441 1.00 0.00 H new ATOM 0 HG11 VAL A 40 8.263 -8.887 -1.340 1.00 0.00 H new ATOM 0 HG12 VAL A 40 9.822 -8.985 -0.488 1.00 0.00 H new ATOM 0 HG13 VAL A 40 8.543 -10.174 -0.144 1.00 0.00 H new ATOM 0 HG21 VAL A 40 6.236 -8.125 -0.149 1.00 0.00 H new ATOM 0 HG22 VAL A 40 6.434 -9.380 1.097 1.00 0.00 H new ATOM 0 HG23 VAL A 40 6.322 -7.668 1.569 1.00 0.00 H new ATOM 622 N ASP A 41 11.036 -9.637 2.217 1.00 0.00 N ATOM 623 CA ASP A 41 12.486 -9.740 2.097 1.00 0.00 C ATOM 624 C ASP A 41 12.873 -10.872 1.149 1.00 0.00 C ATOM 625 O ASP A 41 12.932 -12.035 1.547 1.00 0.00 O ATOM 626 CB ASP A 41 13.118 -9.969 3.470 1.00 0.00 C ATOM 627 CG ASP A 41 14.571 -9.537 3.518 1.00 0.00 C ATOM 628 OD1 ASP A 41 14.864 -8.398 3.100 1.00 0.00 O ATOM 629 OD2 ASP A 41 15.414 -10.338 3.973 1.00 0.00 O ATOM 0 H ASP A 41 10.582 -10.476 2.578 1.00 0.00 H new ATOM 0 HA ASP A 41 12.860 -8.802 1.686 1.00 0.00 H new ATOM 0 HB2 ASP A 41 12.553 -9.419 4.223 1.00 0.00 H new ATOM 0 HB3 ASP A 41 13.047 -11.026 3.728 1.00 0.00 H new ATOM 634 N ALA A 42 13.135 -10.522 -0.106 1.00 0.00 N ATOM 635 CA ALA A 42 13.518 -11.508 -1.109 1.00 0.00 C ATOM 636 C ALA A 42 14.566 -12.470 -0.562 1.00 0.00 C ATOM 637 O ALA A 42 14.723 -13.582 -1.065 1.00 0.00 O ATOM 638 CB ALA A 42 14.038 -10.813 -2.359 1.00 0.00 C ATOM 0 H ALA A 42 13.089 -9.564 -0.452 1.00 0.00 H new ATOM 0 HA ALA A 42 12.633 -12.088 -1.370 1.00 0.00 H new ATOM 0 HB1 ALA A 42 14.321 -11.561 -3.100 1.00 0.00 H new ATOM 0 HB2 ALA A 42 13.258 -10.172 -2.770 1.00 0.00 H new ATOM 0 HB3 ALA A 42 14.908 -10.208 -2.104 1.00 0.00 H new ATOM 751 N TYR A 50 12.888 -10.825 -6.701 1.00 0.00 N ATOM 752 CA TYR A 50 11.740 -10.047 -6.252 1.00 0.00 C ATOM 753 C TYR A 50 11.892 -8.579 -6.639 1.00 0.00 C ATOM 754 O TYR A 50 10.997 -7.989 -7.245 1.00 0.00 O ATOM 755 CB TYR A 50 11.573 -10.172 -4.737 1.00 0.00 C ATOM 756 CG TYR A 50 10.529 -9.241 -4.164 1.00 0.00 C ATOM 757 CD1 TYR A 50 9.174 -9.476 -4.367 1.00 0.00 C ATOM 758 CD2 TYR A 50 10.896 -8.126 -3.420 1.00 0.00 C ATOM 759 CE1 TYR A 50 8.216 -8.628 -3.846 1.00 0.00 C ATOM 760 CE2 TYR A 50 9.945 -7.273 -2.895 1.00 0.00 C ATOM 761 CZ TYR A 50 8.606 -7.528 -3.110 1.00 0.00 C ATOM 762 OH TYR A 50 7.656 -6.681 -2.589 1.00 0.00 O ATOM 0 HA TYR A 50 10.851 -10.443 -6.742 1.00 0.00 H new ATOM 0 HB2 TYR A 50 11.304 -11.200 -4.493 1.00 0.00 H new ATOM 0 HB3 TYR A 50 12.530 -9.970 -4.257 1.00 0.00 H new ATOM 0 HD1 TYR A 50 8.865 -10.336 -4.942 1.00 0.00 H new ATOM 0 HD2 TYR A 50 11.943 -7.923 -3.249 1.00 0.00 H new ATOM 0 HE1 TYR A 50 7.167 -8.825 -4.014 1.00 0.00 H new ATOM 0 HE2 TYR A 50 10.248 -6.411 -2.319 1.00 0.00 H new ATOM 0 HH TYR A 50 8.097 -5.958 -2.097 1.00 0.00 H new ATOM 772 N HIS A 51 13.033 -7.996 -6.285 1.00 0.00 N ATOM 773 CA HIS A 51 13.304 -6.597 -6.596 1.00 0.00 C ATOM 774 C HIS A 51 13.376 -6.379 -8.105 1.00 0.00 C ATOM 775 O HIS A 51 12.820 -5.414 -8.630 1.00 0.00 O ATOM 776 CB HIS A 51 14.612 -6.152 -5.942 1.00 0.00 C ATOM 777 CG HIS A 51 14.548 -6.104 -4.446 1.00 0.00 C ATOM 778 ND1 HIS A 51 13.536 -5.470 -3.756 1.00 0.00 N ATOM 779 CD2 HIS A 51 15.377 -6.618 -3.508 1.00 0.00 C ATOM 780 CE1 HIS A 51 13.747 -5.595 -2.458 1.00 0.00 C ATOM 781 NE2 HIS A 51 14.858 -6.287 -2.280 1.00 0.00 N ATOM 0 H HIS A 51 13.784 -8.470 -5.783 1.00 0.00 H new ATOM 0 HA HIS A 51 12.485 -5.997 -6.199 1.00 0.00 H new ATOM 0 HB2 HIS A 51 15.409 -6.833 -6.242 1.00 0.00 H new ATOM 0 HB3 HIS A 51 14.879 -5.164 -6.318 1.00 0.00 H new ATOM 0 HD2 HIS A 51 16.279 -7.183 -3.691 1.00 0.00 H new ATOM 0 HE1 HIS A 51 13.118 -5.199 -1.675 1.00 0.00 H new ATOM 0 HE2 HIS A 51 15.264 -6.535 -1.378 1.00 0.00 H new ATOM 789 N ASP A 52 14.065 -7.282 -8.795 1.00 0.00 N ATOM 790 CA ASP A 52 14.209 -7.189 -10.243 1.00 0.00 C ATOM 791 C ASP A 52 12.914 -6.706 -10.889 1.00 0.00 C ATOM 792 O ASP A 52 12.922 -5.779 -11.700 1.00 0.00 O ATOM 793 CB ASP A 52 14.609 -8.546 -10.825 1.00 0.00 C ATOM 794 CG ASP A 52 15.842 -9.121 -10.157 1.00 0.00 C ATOM 795 OD1 ASP A 52 15.922 -9.068 -8.912 1.00 0.00 O ATOM 796 OD2 ASP A 52 16.728 -9.625 -10.880 1.00 0.00 O ATOM 0 H ASP A 52 14.532 -8.086 -8.375 1.00 0.00 H new ATOM 0 HA ASP A 52 14.993 -6.464 -10.459 1.00 0.00 H new ATOM 0 HB2 ASP A 52 13.780 -9.245 -10.714 1.00 0.00 H new ATOM 0 HB3 ASP A 52 14.795 -8.439 -11.894 1.00 0.00 H new ATOM 801 N ILE A 53 11.805 -7.341 -10.525 1.00 0.00 N ATOM 802 CA ILE A 53 10.503 -6.976 -11.069 1.00 0.00 C ATOM 803 C ILE A 53 9.959 -5.720 -10.396 1.00 0.00 C ATOM 804 O ILE A 53 9.562 -4.767 -11.067 1.00 0.00 O ATOM 805 CB ILE A 53 9.483 -8.118 -10.902 1.00 0.00 C ATOM 806 CG1 ILE A 53 9.971 -9.376 -11.623 1.00 0.00 C ATOM 807 CG2 ILE A 53 8.121 -7.692 -11.430 1.00 0.00 C ATOM 808 CD1 ILE A 53 9.485 -10.661 -10.991 1.00 0.00 C ATOM 0 H ILE A 53 11.782 -8.111 -9.856 1.00 0.00 H new ATOM 0 HA ILE A 53 10.648 -6.782 -12.132 1.00 0.00 H new ATOM 0 HB ILE A 53 9.384 -8.346 -9.841 1.00 0.00 H new ATOM 0 HG12 ILE A 53 9.639 -9.342 -12.661 1.00 0.00 H new ATOM 0 HG13 ILE A 53 11.061 -9.377 -11.637 1.00 0.00 H new ATOM 0 HG21 ILE A 53 7.411 -8.509 -11.305 1.00 0.00 H new ATOM 0 HG22 ILE A 53 7.772 -6.820 -10.876 1.00 0.00 H new ATOM 0 HG23 ILE A 53 8.203 -7.441 -12.487 1.00 0.00 H new ATOM 0 HD11 ILE A 53 9.869 -11.511 -11.554 1.00 0.00 H new ATOM 0 HD12 ILE A 53 9.840 -10.717 -9.962 1.00 0.00 H new ATOM 0 HD13 ILE A 53 8.395 -10.682 -11.001 1.00 0.00 H new ATOM 820 N ILE A 54 9.944 -5.727 -9.067 1.00 0.00 N ATOM 821 CA ILE A 54 9.452 -4.587 -8.304 1.00 0.00 C ATOM 822 C ILE A 54 10.554 -3.558 -8.079 1.00 0.00 C ATOM 823 O ILE A 54 11.483 -3.785 -7.303 1.00 0.00 O ATOM 824 CB ILE A 54 8.888 -5.025 -6.939 1.00 0.00 C ATOM 825 CG1 ILE A 54 7.836 -6.121 -7.125 1.00 0.00 C ATOM 826 CG2 ILE A 54 8.295 -3.833 -6.203 1.00 0.00 C ATOM 827 CD1 ILE A 54 6.676 -5.701 -8.001 1.00 0.00 C ATOM 0 H ILE A 54 10.267 -6.509 -8.497 1.00 0.00 H new ATOM 0 HA ILE A 54 8.652 -4.136 -8.892 1.00 0.00 H new ATOM 0 HB ILE A 54 9.703 -5.428 -6.338 1.00 0.00 H new ATOM 0 HG12 ILE A 54 8.311 -7.000 -7.561 1.00 0.00 H new ATOM 0 HG13 ILE A 54 7.455 -6.417 -6.148 1.00 0.00 H new ATOM 0 HG21 ILE A 54 7.901 -4.159 -5.241 1.00 0.00 H new ATOM 0 HG22 ILE A 54 9.069 -3.083 -6.043 1.00 0.00 H new ATOM 0 HG23 ILE A 54 7.490 -3.402 -6.798 1.00 0.00 H new ATOM 0 HD11 ILE A 54 5.969 -6.526 -8.089 1.00 0.00 H new ATOM 0 HD12 ILE A 54 6.176 -4.841 -7.555 1.00 0.00 H new ATOM 0 HD13 ILE A 54 7.046 -5.433 -8.991 1.00 0.00 H new ATOM 839 N LYS A 55 10.444 -2.423 -8.762 1.00 0.00 N ATOM 840 CA LYS A 55 11.429 -1.356 -8.635 1.00 0.00 C ATOM 841 C LYS A 55 11.231 -0.583 -7.335 1.00 0.00 C ATOM 842 O LYS A 55 12.176 -0.383 -6.570 1.00 0.00 O ATOM 843 CB LYS A 55 11.333 -0.401 -9.828 1.00 0.00 C ATOM 844 CG LYS A 55 11.896 -0.977 -11.115 1.00 0.00 C ATOM 845 CD LYS A 55 13.412 -0.891 -11.148 1.00 0.00 C ATOM 846 CE LYS A 55 13.885 0.528 -11.422 1.00 0.00 C ATOM 847 NZ LYS A 55 15.363 0.656 -11.290 1.00 0.00 N ATOM 0 H LYS A 55 9.682 -2.219 -9.409 1.00 0.00 H new ATOM 0 HA LYS A 55 12.420 -1.811 -8.619 1.00 0.00 H new ATOM 0 HB2 LYS A 55 10.288 -0.134 -9.986 1.00 0.00 H new ATOM 0 HB3 LYS A 55 11.865 0.520 -9.589 1.00 0.00 H new ATOM 0 HG2 LYS A 55 11.587 -2.018 -11.214 1.00 0.00 H new ATOM 0 HG3 LYS A 55 11.482 -0.439 -11.967 1.00 0.00 H new ATOM 0 HD2 LYS A 55 13.817 -1.233 -10.196 1.00 0.00 H new ATOM 0 HD3 LYS A 55 13.799 -1.559 -11.918 1.00 0.00 H new ATOM 0 HE2 LYS A 55 13.583 0.824 -12.427 1.00 0.00 H new ATOM 0 HE3 LYS A 55 13.398 1.213 -10.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 15.645 1.638 -11.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 15.649 0.399 -10.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 15.829 0.021 -11.969 1.00 0.00 H new ATOM 861 N HIS A 56 9.998 -0.154 -7.089 1.00 0.00 N ATOM 862 CA HIS A 56 9.676 0.595 -5.879 1.00 0.00 C ATOM 863 C HIS A 56 8.614 -0.130 -5.058 1.00 0.00 C ATOM 864 O HIS A 56 7.415 0.117 -5.192 1.00 0.00 O ATOM 865 CB HIS A 56 9.189 1.999 -6.237 1.00 0.00 C ATOM 866 CG HIS A 56 8.470 2.068 -7.549 1.00 0.00 C ATOM 867 ND1 HIS A 56 7.652 1.177 -8.158 1.00 0.00 N flip ATOM 868 CD2 HIS A 56 8.553 3.152 -8.398 1.00 0.00 C flip ATOM 869 CE1 HIS A 56 7.259 1.734 -9.350 1.00 0.00 C flip ATOM 870 NE2 HIS A 56 7.816 2.926 -9.471 1.00 0.00 N flip ATOM 0 H HIS A 56 9.205 -0.312 -7.711 1.00 0.00 H new ATOM 0 HA HIS A 56 10.583 0.675 -5.279 1.00 0.00 H new ATOM 0 HB2 HIS A 56 8.525 2.356 -5.449 1.00 0.00 H new ATOM 0 HB3 HIS A 56 10.044 2.675 -6.265 1.00 0.00 H new ATOM 0 HD2 HIS A 56 9.130 4.046 -8.214 1.00 0.00 H new ATOM 0 HE1 HIS A 56 6.601 1.273 -10.072 1.00 0.00 H new ATOM 0 HE2 HIS A 56 7.697 3.563 -10.259 1.00 0.00 H new ATOM 878 N PRO A 57 9.062 -1.048 -4.188 1.00 0.00 N ATOM 879 CA PRO A 57 8.166 -1.828 -3.329 1.00 0.00 C ATOM 880 C PRO A 57 7.515 -0.975 -2.245 1.00 0.00 C ATOM 881 O PRO A 57 8.161 -0.115 -1.648 1.00 0.00 O ATOM 882 CB PRO A 57 9.095 -2.871 -2.703 1.00 0.00 C ATOM 883 CG PRO A 57 10.446 -2.245 -2.737 1.00 0.00 C ATOM 884 CD PRO A 57 10.477 -1.394 -3.977 1.00 0.00 C ATOM 0 HA PRO A 57 7.336 -2.258 -3.889 1.00 0.00 H new ATOM 0 HB2 PRO A 57 8.794 -3.107 -1.682 1.00 0.00 H new ATOM 0 HB3 PRO A 57 9.077 -3.805 -3.265 1.00 0.00 H new ATOM 0 HG2 PRO A 57 10.619 -1.642 -1.846 1.00 0.00 H new ATOM 0 HG3 PRO A 57 11.227 -3.004 -2.765 1.00 0.00 H new ATOM 0 HD2 PRO A 57 11.092 -0.505 -3.839 1.00 0.00 H new ATOM 0 HD3 PRO A 57 10.889 -1.937 -4.827 1.00 0.00 H new ATOM 892 N MET A 58 6.233 -1.221 -1.996 1.00 0.00 N ATOM 893 CA MET A 58 5.496 -0.476 -0.982 1.00 0.00 C ATOM 894 C MET A 58 4.707 -1.420 -0.080 1.00 0.00 C ATOM 895 O MET A 58 4.517 -2.592 -0.408 1.00 0.00 O ATOM 896 CB MET A 58 4.548 0.527 -1.644 1.00 0.00 C ATOM 897 CG MET A 58 3.882 1.474 -0.659 1.00 0.00 C ATOM 898 SD MET A 58 5.070 2.338 0.386 1.00 0.00 S ATOM 899 CE MET A 58 5.824 3.444 -0.803 1.00 0.00 C ATOM 0 H MET A 58 5.683 -1.930 -2.482 1.00 0.00 H new ATOM 0 HA MET A 58 6.217 0.066 -0.369 1.00 0.00 H new ATOM 0 HB2 MET A 58 5.104 1.111 -2.377 1.00 0.00 H new ATOM 0 HB3 MET A 58 3.777 -0.019 -2.189 1.00 0.00 H new ATOM 0 HG2 MET A 58 3.288 2.205 -1.208 1.00 0.00 H new ATOM 0 HG3 MET A 58 3.192 0.911 -0.030 1.00 0.00 H new ATOM 0 HE1 MET A 58 6.335 4.250 -0.277 1.00 0.00 H new ATOM 0 HE2 MET A 58 6.543 2.892 -1.408 1.00 0.00 H new ATOM 0 HE3 MET A 58 5.053 3.864 -1.449 1.00 0.00 H new ATOM 909 N ASP A 59 4.252 -0.903 1.055 1.00 0.00 N ATOM 910 CA ASP A 59 3.483 -1.700 2.004 1.00 0.00 C ATOM 911 C ASP A 59 2.789 -0.807 3.027 1.00 0.00 C ATOM 912 O ASP A 59 3.132 0.367 3.177 1.00 0.00 O ATOM 913 CB ASP A 59 4.394 -2.701 2.717 1.00 0.00 C ATOM 914 CG ASP A 59 4.540 -4.000 1.949 1.00 0.00 C ATOM 915 OD1 ASP A 59 3.541 -4.741 1.838 1.00 0.00 O ATOM 916 OD2 ASP A 59 5.654 -4.275 1.457 1.00 0.00 O ATOM 0 H ASP A 59 4.402 0.065 1.341 1.00 0.00 H new ATOM 0 HA ASP A 59 2.720 -2.246 1.449 1.00 0.00 H new ATOM 0 HB2 ASP A 59 5.378 -2.254 2.860 1.00 0.00 H new ATOM 0 HB3 ASP A 59 3.992 -2.911 3.708 1.00 0.00 H new ATOM 921 N LEU A 60 1.810 -1.369 3.728 1.00 0.00 N ATOM 922 CA LEU A 60 1.066 -0.623 4.737 1.00 0.00 C ATOM 923 C LEU A 60 2.013 0.044 5.730 1.00 0.00 C ATOM 924 O LEU A 60 1.869 1.225 6.043 1.00 0.00 O ATOM 925 CB LEU A 60 0.103 -1.552 5.479 1.00 0.00 C ATOM 926 CG LEU A 60 -1.300 -1.679 4.883 1.00 0.00 C ATOM 927 CD1 LEU A 60 -1.936 -0.307 4.719 1.00 0.00 C ATOM 928 CD2 LEU A 60 -1.248 -2.408 3.548 1.00 0.00 C ATOM 0 H LEU A 60 1.513 -2.338 3.616 1.00 0.00 H new ATOM 0 HA LEU A 60 0.494 0.154 4.230 1.00 0.00 H new ATOM 0 HB2 LEU A 60 0.549 -2.546 5.522 1.00 0.00 H new ATOM 0 HB3 LEU A 60 0.009 -1.200 6.506 1.00 0.00 H new ATOM 0 HG LEU A 60 -1.914 -2.262 5.569 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -2.934 -0.417 4.294 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -2.008 0.179 5.692 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -1.323 0.301 4.054 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -2.255 -2.489 3.138 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -0.618 -1.852 2.854 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.834 -3.406 3.694 1.00 0.00 H new ATOM 940 N SER A 61 2.982 -0.722 6.221 1.00 0.00 N ATOM 941 CA SER A 61 3.952 -0.206 7.180 1.00 0.00 C ATOM 942 C SER A 61 4.412 1.195 6.786 1.00 0.00 C ATOM 943 O SER A 61 4.261 2.149 7.550 1.00 0.00 O ATOM 944 CB SER A 61 5.158 -1.143 7.272 1.00 0.00 C ATOM 945 OG SER A 61 4.793 -2.388 7.842 1.00 0.00 O ATOM 0 H SER A 61 3.116 -1.702 5.971 1.00 0.00 H new ATOM 0 HA SER A 61 3.468 -0.151 8.155 1.00 0.00 H new ATOM 0 HB2 SER A 61 5.575 -1.303 6.278 1.00 0.00 H new ATOM 0 HB3 SER A 61 5.939 -0.678 7.874 1.00 0.00 H new ATOM 0 HG SER A 61 5.580 -2.970 7.888 1.00 0.00 H new ATOM 951 N THR A 62 4.976 1.311 5.588 1.00 0.00 N ATOM 952 CA THR A 62 5.460 2.594 5.092 1.00 0.00 C ATOM 953 C THR A 62 4.375 3.661 5.178 1.00 0.00 C ATOM 954 O THR A 62 4.586 4.731 5.750 1.00 0.00 O ATOM 955 CB THR A 62 5.943 2.486 3.633 1.00 0.00 C ATOM 956 OG1 THR A 62 6.860 1.393 3.501 1.00 0.00 O ATOM 957 CG2 THR A 62 6.616 3.776 3.190 1.00 0.00 C ATOM 0 H THR A 62 5.109 0.532 4.943 1.00 0.00 H new ATOM 0 HA THR A 62 6.300 2.881 5.725 1.00 0.00 H new ATOM 0 HB THR A 62 5.075 2.311 2.997 1.00 0.00 H new ATOM 0 HG1 THR A 62 7.161 1.329 2.571 1.00 0.00 H new ATOM 0 HG21 THR A 62 6.949 3.677 2.157 1.00 0.00 H new ATOM 0 HG22 THR A 62 5.907 4.601 3.265 1.00 0.00 H new ATOM 0 HG23 THR A 62 7.475 3.977 3.830 1.00 0.00 H new ATOM 965 N VAL A 63 3.212 3.364 4.607 1.00 0.00 N ATOM 966 CA VAL A 63 2.093 4.298 4.621 1.00 0.00 C ATOM 967 C VAL A 63 1.777 4.757 6.040 1.00 0.00 C ATOM 968 O VAL A 63 1.873 5.943 6.357 1.00 0.00 O ATOM 969 CB VAL A 63 0.829 3.669 4.004 1.00 0.00 C ATOM 970 CG1 VAL A 63 -0.316 4.670 3.996 1.00 0.00 C ATOM 971 CG2 VAL A 63 1.118 3.165 2.598 1.00 0.00 C ATOM 0 H VAL A 63 3.020 2.484 4.129 1.00 0.00 H new ATOM 0 HA VAL A 63 2.392 5.158 4.022 1.00 0.00 H new ATOM 0 HB VAL A 63 0.531 2.818 4.616 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -1.200 4.208 3.557 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -0.537 4.978 5.018 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -0.032 5.543 3.408 1.00 0.00 H new ATOM 0 HG21 VAL A 63 0.215 2.724 2.177 1.00 0.00 H new ATOM 0 HG22 VAL A 63 1.441 3.997 1.972 1.00 0.00 H new ATOM 0 HG23 VAL A 63 1.906 2.413 2.636 1.00 0.00 H new ATOM 981 N LYS A 64 1.401 3.810 6.892 1.00 0.00 N ATOM 982 CA LYS A 64 1.072 4.114 8.280 1.00 0.00 C ATOM 983 C LYS A 64 2.195 4.907 8.943 1.00 0.00 C ATOM 984 O LYS A 64 1.947 5.745 9.809 1.00 0.00 O ATOM 985 CB LYS A 64 0.815 2.823 9.060 1.00 0.00 C ATOM 986 CG LYS A 64 0.435 3.056 10.512 1.00 0.00 C ATOM 987 CD LYS A 64 -1.059 3.283 10.668 1.00 0.00 C ATOM 988 CE LYS A 64 -1.557 2.810 12.025 1.00 0.00 C ATOM 989 NZ LYS A 64 -2.971 3.207 12.267 1.00 0.00 N ATOM 0 H LYS A 64 1.316 2.824 6.646 1.00 0.00 H new ATOM 0 HA LYS A 64 0.167 4.722 8.289 1.00 0.00 H new ATOM 0 HB2 LYS A 64 0.018 2.264 8.570 1.00 0.00 H new ATOM 0 HB3 LYS A 64 1.710 2.201 9.022 1.00 0.00 H new ATOM 0 HG2 LYS A 64 0.738 2.197 11.111 1.00 0.00 H new ATOM 0 HG3 LYS A 64 0.977 3.920 10.897 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -1.281 4.343 10.547 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -1.593 2.753 9.879 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -1.469 1.725 12.086 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -0.924 3.226 12.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -3.272 2.866 13.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -3.051 4.243 12.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -3.579 2.790 11.534 1.00 0.00 H new ATOM 1003 N ARG A 65 3.428 4.636 8.529 1.00 0.00 N ATOM 1004 CA ARG A 65 4.588 5.324 9.083 1.00 0.00 C ATOM 1005 C ARG A 65 4.608 6.788 8.654 1.00 0.00 C ATOM 1006 O ARG A 65 4.806 7.685 9.474 1.00 0.00 O ATOM 1007 CB ARG A 65 5.878 4.634 8.638 1.00 0.00 C ATOM 1008 CG ARG A 65 6.242 3.422 9.479 1.00 0.00 C ATOM 1009 CD ARG A 65 7.002 3.823 10.734 1.00 0.00 C ATOM 1010 NE ARG A 65 7.234 2.685 11.621 1.00 0.00 N ATOM 1011 CZ ARG A 65 7.629 2.806 12.883 1.00 0.00 C ATOM 1012 NH1 ARG A 65 7.834 4.008 13.405 1.00 0.00 N ATOM 1013 NH2 ARG A 65 7.819 1.724 13.627 1.00 0.00 N ATOM 0 H ARG A 65 3.650 3.945 7.812 1.00 0.00 H new ATOM 0 HA ARG A 65 4.518 5.282 10.170 1.00 0.00 H new ATOM 0 HB2 ARG A 65 5.775 4.326 7.598 1.00 0.00 H new ATOM 0 HB3 ARG A 65 6.697 5.352 8.678 1.00 0.00 H new ATOM 0 HG2 ARG A 65 5.335 2.885 9.757 1.00 0.00 H new ATOM 0 HG3 ARG A 65 6.849 2.737 8.888 1.00 0.00 H new ATOM 0 HD2 ARG A 65 7.958 4.264 10.453 1.00 0.00 H new ATOM 0 HD3 ARG A 65 6.441 4.590 11.268 1.00 0.00 H new ATOM 0 HE ARG A 65 7.084 1.747 11.250 1.00 0.00 H new ATOM 0 HH11 ARG A 65 7.688 4.842 12.837 1.00 0.00 H new ATOM 0 HH12 ARG A 65 8.137 4.098 14.375 1.00 0.00 H new ATOM 0 HH21 ARG A 65 7.662 0.798 13.230 1.00 0.00 H new ATOM 0 HH22 ARG A 65 8.122 1.818 14.596 1.00 0.00 H new ATOM 1027 N LYS A 66 4.402 7.024 7.362 1.00 0.00 N ATOM 1028 CA LYS A 66 4.395 8.378 6.823 1.00 0.00 C ATOM 1029 C LYS A 66 3.240 9.189 7.402 1.00 0.00 C ATOM 1030 O LYS A 66 3.450 10.240 8.007 1.00 0.00 O ATOM 1031 CB LYS A 66 4.290 8.341 5.296 1.00 0.00 C ATOM 1032 CG LYS A 66 5.618 8.092 4.601 1.00 0.00 C ATOM 1033 CD LYS A 66 5.476 8.154 3.090 1.00 0.00 C ATOM 1034 CE LYS A 66 5.411 9.591 2.595 1.00 0.00 C ATOM 1035 NZ LYS A 66 6.743 10.255 2.644 1.00 0.00 N ATOM 0 H LYS A 66 4.238 6.294 6.669 1.00 0.00 H new ATOM 0 HA LYS A 66 5.331 8.859 7.106 1.00 0.00 H new ATOM 0 HB2 LYS A 66 3.586 7.560 5.007 1.00 0.00 H new ATOM 0 HB3 LYS A 66 3.878 9.287 4.945 1.00 0.00 H new ATOM 0 HG2 LYS A 66 6.346 8.833 4.930 1.00 0.00 H new ATOM 0 HG3 LYS A 66 6.004 7.115 4.891 1.00 0.00 H new ATOM 0 HD2 LYS A 66 6.319 7.645 2.623 1.00 0.00 H new ATOM 0 HD3 LYS A 66 4.574 7.622 2.786 1.00 0.00 H new ATOM 0 HE2 LYS A 66 5.035 9.606 1.572 1.00 0.00 H new ATOM 0 HE3 LYS A 66 4.702 10.153 3.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 6.691 11.174 2.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 7.022 10.401 3.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 7.448 9.654 2.171 1.00 0.00 H new ATOM 1049 N MET A 67 2.022 8.693 7.215 1.00 0.00 N ATOM 1050 CA MET A 67 0.835 9.371 7.722 1.00 0.00 C ATOM 1051 C MET A 67 0.971 9.664 9.213 1.00 0.00 C ATOM 1052 O MET A 67 0.593 10.738 9.681 1.00 0.00 O ATOM 1053 CB MET A 67 -0.411 8.520 7.470 1.00 0.00 C ATOM 1054 CG MET A 67 -1.664 9.063 8.139 1.00 0.00 C ATOM 1055 SD MET A 67 -1.882 10.833 7.871 1.00 0.00 S ATOM 1056 CE MET A 67 -2.880 10.830 6.384 1.00 0.00 C ATOM 0 H MET A 67 1.831 7.824 6.716 1.00 0.00 H new ATOM 0 HA MET A 67 0.734 10.318 7.191 1.00 0.00 H new ATOM 0 HB2 MET A 67 -0.583 8.452 6.396 1.00 0.00 H new ATOM 0 HB3 MET A 67 -0.228 7.507 7.828 1.00 0.00 H new ATOM 0 HG2 MET A 67 -2.535 8.531 7.756 1.00 0.00 H new ATOM 0 HG3 MET A 67 -1.615 8.865 9.210 1.00 0.00 H new ATOM 0 HE1 MET A 67 -3.417 11.775 6.305 1.00 0.00 H new ATOM 0 HE2 MET A 67 -2.236 10.705 5.514 1.00 0.00 H new ATOM 0 HE3 MET A 67 -3.595 10.009 6.427 1.00 0.00 H new ATOM 1066 N ASP A 68 1.513 8.703 9.953 1.00 0.00 N ATOM 1067 CA ASP A 68 1.700 8.858 11.391 1.00 0.00 C ATOM 1068 C ASP A 68 2.448 10.150 11.705 1.00 0.00 C ATOM 1069 O ASP A 68 2.095 10.874 12.635 1.00 0.00 O ATOM 1070 CB ASP A 68 2.462 7.661 11.960 1.00 0.00 C ATOM 1071 CG ASP A 68 1.540 6.533 12.378 1.00 0.00 C ATOM 1072 OD1 ASP A 68 0.396 6.485 11.879 1.00 0.00 O ATOM 1073 OD2 ASP A 68 1.962 5.697 13.204 1.00 0.00 O ATOM 0 H ASP A 68 1.831 7.808 9.581 1.00 0.00 H new ATOM 0 HA ASP A 68 0.716 8.906 11.858 1.00 0.00 H new ATOM 0 HB2 ASP A 68 3.165 7.293 11.213 1.00 0.00 H new ATOM 0 HB3 ASP A 68 3.050 7.983 12.820 1.00 0.00 H new ATOM 1078 N GLY A 69 3.486 10.432 10.922 1.00 0.00 N ATOM 1079 CA GLY A 69 4.269 11.635 11.134 1.00 0.00 C ATOM 1080 C GLY A 69 3.880 12.754 10.187 1.00 0.00 C ATOM 1081 O GLY A 69 4.725 13.549 9.776 1.00 0.00 O ATOM 0 H GLY A 69 3.798 9.849 10.145 1.00 0.00 H new ATOM 0 HA2 GLY A 69 4.140 11.972 12.162 1.00 0.00 H new ATOM 0 HA3 GLY A 69 5.326 11.404 11.004 1.00 0.00 H new ATOM 1085 N ARG A 70 2.599 12.814 9.840 1.00 0.00 N ATOM 1086 CA ARG A 70 2.101 13.842 8.933 1.00 0.00 C ATOM 1087 C ARG A 70 3.060 14.047 7.765 1.00 0.00 C ATOM 1088 O ARG A 70 3.217 15.162 7.267 1.00 0.00 O ATOM 1089 CB ARG A 70 1.903 15.161 9.682 1.00 0.00 C ATOM 1090 CG ARG A 70 0.564 15.261 10.395 1.00 0.00 C ATOM 1091 CD ARG A 70 0.340 14.082 11.328 1.00 0.00 C ATOM 1092 NE ARG A 70 -0.486 14.443 12.478 1.00 0.00 N ATOM 1093 CZ ARG A 70 -0.562 13.714 13.586 1.00 0.00 C ATOM 1094 NH1 ARG A 70 0.134 12.591 13.693 1.00 0.00 N ATOM 1095 NH2 ARG A 70 -1.335 14.108 14.589 1.00 0.00 N ATOM 0 H ARG A 70 1.887 12.164 10.173 1.00 0.00 H new ATOM 0 HA ARG A 70 1.141 13.509 8.538 1.00 0.00 H new ATOM 0 HB2 ARG A 70 2.704 15.278 10.412 1.00 0.00 H new ATOM 0 HB3 ARG A 70 1.992 15.987 8.976 1.00 0.00 H new ATOM 0 HG2 ARG A 70 0.522 16.190 10.964 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -0.239 15.302 9.659 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -0.138 13.271 10.779 1.00 0.00 H new ATOM 0 HD3 ARG A 70 1.303 13.707 11.676 1.00 0.00 H new ATOM 0 HE ARG A 70 -1.034 15.302 12.427 1.00 0.00 H new ATOM 0 HH11 ARG A 70 0.730 12.285 12.924 1.00 0.00 H new ATOM 0 HH12 ARG A 70 0.074 12.033 14.545 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -1.872 14.972 14.510 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -1.393 13.547 15.439 1.00 0.00 H new ATOM 1109 N GLU A 71 3.700 12.965 7.333 1.00 0.00 N ATOM 1110 CA GLU A 71 4.645 13.028 6.224 1.00 0.00 C ATOM 1111 C GLU A 71 3.928 13.352 4.916 1.00 0.00 C ATOM 1112 O GLU A 71 4.447 14.090 4.078 1.00 0.00 O ATOM 1113 CB GLU A 71 5.397 11.702 6.090 1.00 0.00 C ATOM 1114 CG GLU A 71 6.422 11.471 7.189 1.00 0.00 C ATOM 1115 CD GLU A 71 7.581 10.606 6.732 1.00 0.00 C ATOM 1116 OE1 GLU A 71 7.935 10.670 5.536 1.00 0.00 O ATOM 1117 OE2 GLU A 71 8.135 9.866 7.572 1.00 0.00 O ATOM 0 H GLU A 71 3.581 12.035 7.734 1.00 0.00 H new ATOM 0 HA GLU A 71 5.360 13.824 6.434 1.00 0.00 H new ATOM 0 HB2 GLU A 71 4.677 10.883 6.098 1.00 0.00 H new ATOM 0 HB3 GLU A 71 5.900 11.675 5.124 1.00 0.00 H new ATOM 0 HG2 GLU A 71 6.804 12.432 7.532 1.00 0.00 H new ATOM 0 HG3 GLU A 71 5.935 10.998 8.042 1.00 0.00 H new ATOM 1124 N TYR A 72 2.734 12.796 4.749 1.00 0.00 N ATOM 1125 CA TYR A 72 1.947 13.023 3.543 1.00 0.00 C ATOM 1126 C TYR A 72 1.547 14.490 3.422 1.00 0.00 C ATOM 1127 O TYR A 72 0.917 15.065 4.310 1.00 0.00 O ATOM 1128 CB TYR A 72 0.697 12.141 3.551 1.00 0.00 C ATOM 1129 CG TYR A 72 0.980 10.687 3.251 1.00 0.00 C ATOM 1130 CD1 TYR A 72 1.604 10.310 2.068 1.00 0.00 C ATOM 1131 CD2 TYR A 72 0.623 9.689 4.149 1.00 0.00 C ATOM 1132 CE1 TYR A 72 1.864 8.982 1.789 1.00 0.00 C ATOM 1133 CE2 TYR A 72 0.880 8.359 3.879 1.00 0.00 C ATOM 1134 CZ TYR A 72 1.501 8.011 2.698 1.00 0.00 C ATOM 1135 OH TYR A 72 1.758 6.687 2.425 1.00 0.00 O ATOM 0 H TYR A 72 2.289 12.185 5.434 1.00 0.00 H new ATOM 0 HA TYR A 72 2.563 12.761 2.683 1.00 0.00 H new ATOM 0 HB2 TYR A 72 0.217 12.215 4.527 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -0.012 12.523 2.817 1.00 0.00 H new ATOM 0 HD1 TYR A 72 1.891 11.068 1.354 1.00 0.00 H new ATOM 0 HD2 TYR A 72 0.136 9.958 5.075 1.00 0.00 H new ATOM 0 HE1 TYR A 72 2.349 8.706 0.864 1.00 0.00 H new ATOM 0 HE2 TYR A 72 0.596 7.596 4.589 1.00 0.00 H new ATOM 0 HH TYR A 72 2.724 6.555 2.326 1.00 0.00 H new ATOM 1145 N PRO A 73 1.921 15.113 2.294 1.00 0.00 N ATOM 1146 CA PRO A 73 1.612 16.521 2.027 1.00 0.00 C ATOM 1147 C PRO A 73 0.125 16.751 1.778 1.00 0.00 C ATOM 1148 O PRO A 73 -0.459 17.708 2.285 1.00 0.00 O ATOM 1149 CB PRO A 73 2.420 16.829 0.764 1.00 0.00 C ATOM 1150 CG PRO A 73 2.586 15.510 0.091 1.00 0.00 C ATOM 1151 CD PRO A 73 2.674 14.490 1.192 1.00 0.00 C ATOM 0 HA PRO A 73 1.860 17.160 2.874 1.00 0.00 H new ATOM 0 HB2 PRO A 73 1.897 17.538 0.122 1.00 0.00 H new ATOM 0 HB3 PRO A 73 3.385 17.273 1.009 1.00 0.00 H new ATOM 0 HG2 PRO A 73 1.744 15.300 -0.569 1.00 0.00 H new ATOM 0 HG3 PRO A 73 3.485 15.497 -0.525 1.00 0.00 H new ATOM 0 HD2 PRO A 73 2.236 13.538 0.894 1.00 0.00 H new ATOM 0 HD3 PRO A 73 3.708 14.291 1.474 1.00 0.00 H new ATOM 1159 N ASP A 74 -0.482 15.867 0.993 1.00 0.00 N ATOM 1160 CA ASP A 74 -1.901 15.973 0.677 1.00 0.00 C ATOM 1161 C ASP A 74 -2.476 14.612 0.295 1.00 0.00 C ATOM 1162 O ASP A 74 -1.735 13.662 0.047 1.00 0.00 O ATOM 1163 CB ASP A 74 -2.119 16.970 -0.462 1.00 0.00 C ATOM 1164 CG ASP A 74 -2.255 18.396 0.035 1.00 0.00 C ATOM 1165 OD1 ASP A 74 -3.300 18.717 0.639 1.00 0.00 O ATOM 1166 OD2 ASP A 74 -1.316 19.192 -0.180 1.00 0.00 O ATOM 0 H ASP A 74 -0.013 15.069 0.564 1.00 0.00 H new ATOM 0 HA ASP A 74 -2.420 16.330 1.566 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -1.283 16.909 -1.159 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -3.016 16.694 -1.016 1.00 0.00 H new ATOM 1171 N ALA A 75 -3.802 14.527 0.252 1.00 0.00 N ATOM 1172 CA ALA A 75 -4.476 13.283 -0.100 1.00 0.00 C ATOM 1173 C ALA A 75 -3.697 12.519 -1.165 1.00 0.00 C ATOM 1174 O ALA A 75 -3.435 11.326 -1.018 1.00 0.00 O ATOM 1175 CB ALA A 75 -5.891 13.568 -0.580 1.00 0.00 C ATOM 0 H ALA A 75 -4.430 15.304 0.456 1.00 0.00 H new ATOM 0 HA ALA A 75 -4.526 12.660 0.793 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -6.383 12.631 -0.840 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -6.451 14.064 0.213 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -5.854 14.214 -1.457 1.00 0.00 H new ATOM 1181 N GLN A 76 -3.331 13.215 -2.237 1.00 0.00 N ATOM 1182 CA GLN A 76 -2.583 12.600 -3.327 1.00 0.00 C ATOM 1183 C GLN A 76 -1.400 11.800 -2.792 1.00 0.00 C ATOM 1184 O GLN A 76 -1.174 10.660 -3.198 1.00 0.00 O ATOM 1185 CB GLN A 76 -2.091 13.670 -4.303 1.00 0.00 C ATOM 1186 CG GLN A 76 -3.211 14.488 -4.924 1.00 0.00 C ATOM 1187 CD GLN A 76 -3.962 13.728 -6.000 1.00 0.00 C ATOM 1188 OE1 GLN A 76 -3.624 13.806 -7.182 1.00 0.00 O ATOM 1189 NE2 GLN A 76 -4.987 12.987 -5.596 1.00 0.00 N ATOM 0 H GLN A 76 -3.540 14.204 -2.374 1.00 0.00 H new ATOM 0 HA GLN A 76 -3.251 11.918 -3.853 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -1.409 14.341 -3.780 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -1.519 13.190 -5.097 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -3.910 14.791 -4.144 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -2.795 15.400 -5.352 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -5.232 12.952 -4.606 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -5.529 12.453 -6.275 1.00 0.00 H new ATOM 1198 N GLY A 77 -0.646 12.405 -1.879 1.00 0.00 N ATOM 1199 CA GLY A 77 0.505 11.734 -1.305 1.00 0.00 C ATOM 1200 C GLY A 77 0.135 10.438 -0.613 1.00 0.00 C ATOM 1201 O GLY A 77 0.746 9.398 -0.858 1.00 0.00 O ATOM 0 H GLY A 77 -0.812 13.348 -1.527 1.00 0.00 H new ATOM 0 HA2 GLY A 77 1.231 11.528 -2.091 1.00 0.00 H new ATOM 0 HA3 GLY A 77 0.990 12.399 -0.590 1.00 0.00 H new ATOM 1205 N PHE A 78 -0.869 10.498 0.257 1.00 0.00 N ATOM 1206 CA PHE A 78 -1.318 9.320 0.989 1.00 0.00 C ATOM 1207 C PHE A 78 -1.708 8.199 0.030 1.00 0.00 C ATOM 1208 O PHE A 78 -1.251 7.064 0.166 1.00 0.00 O ATOM 1209 CB PHE A 78 -2.505 9.674 1.887 1.00 0.00 C ATOM 1210 CG PHE A 78 -3.235 8.472 2.416 1.00 0.00 C ATOM 1211 CD1 PHE A 78 -2.649 7.652 3.366 1.00 0.00 C ATOM 1212 CD2 PHE A 78 -4.508 8.164 1.964 1.00 0.00 C ATOM 1213 CE1 PHE A 78 -3.318 6.545 3.854 1.00 0.00 C ATOM 1214 CE2 PHE A 78 -5.183 7.059 2.449 1.00 0.00 C ATOM 1215 CZ PHE A 78 -4.587 6.249 3.396 1.00 0.00 C ATOM 0 H PHE A 78 -1.387 11.350 0.472 1.00 0.00 H new ATOM 0 HA PHE A 78 -0.492 8.972 1.610 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -2.150 10.272 2.726 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -3.203 10.295 1.325 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -1.658 7.880 3.730 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -4.979 8.794 1.224 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -2.849 5.912 4.593 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -6.175 6.830 2.088 1.00 0.00 H new ATOM 0 HZ PHE A 78 -5.112 5.386 3.778 1.00 0.00 H new ATOM 1225 N ALA A 79 -2.555 8.527 -0.940 1.00 0.00 N ATOM 1226 CA ALA A 79 -3.005 7.549 -1.923 1.00 0.00 C ATOM 1227 C ALA A 79 -1.836 7.022 -2.749 1.00 0.00 C ATOM 1228 O ALA A 79 -1.724 5.820 -2.987 1.00 0.00 O ATOM 1229 CB ALA A 79 -4.061 8.162 -2.831 1.00 0.00 C ATOM 0 H ALA A 79 -2.943 9.462 -1.066 1.00 0.00 H new ATOM 0 HA ALA A 79 -3.445 6.708 -1.387 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -4.388 7.421 -3.560 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -4.913 8.483 -2.232 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -3.639 9.022 -3.352 1.00 0.00 H new ATOM 1235 N ALA A 80 -0.968 7.930 -3.184 1.00 0.00 N ATOM 1236 CA ALA A 80 0.193 7.556 -3.982 1.00 0.00 C ATOM 1237 C ALA A 80 0.737 6.196 -3.556 1.00 0.00 C ATOM 1238 O ALA A 80 0.770 5.255 -4.348 1.00 0.00 O ATOM 1239 CB ALA A 80 1.276 8.619 -3.868 1.00 0.00 C ATOM 0 H ALA A 80 -1.047 8.930 -2.997 1.00 0.00 H new ATOM 0 HA ALA A 80 -0.121 7.483 -5.023 1.00 0.00 H new ATOM 0 HB1 ALA A 80 2.137 8.327 -4.469 1.00 0.00 H new ATOM 0 HB2 ALA A 80 0.889 9.572 -4.228 1.00 0.00 H new ATOM 0 HB3 ALA A 80 1.578 8.720 -2.826 1.00 0.00 H new ATOM 1245 N ASP A 81 1.162 6.101 -2.301 1.00 0.00 N ATOM 1246 CA ASP A 81 1.705 4.856 -1.770 1.00 0.00 C ATOM 1247 C ASP A 81 0.682 3.729 -1.876 1.00 0.00 C ATOM 1248 O ASP A 81 0.941 2.698 -2.496 1.00 0.00 O ATOM 1249 CB ASP A 81 2.129 5.041 -0.313 1.00 0.00 C ATOM 1250 CG ASP A 81 3.406 5.847 -0.179 1.00 0.00 C ATOM 1251 OD1 ASP A 81 3.686 6.667 -1.078 1.00 0.00 O ATOM 1252 OD2 ASP A 81 4.127 5.656 0.823 1.00 0.00 O ATOM 0 H ASP A 81 1.141 6.871 -1.632 1.00 0.00 H new ATOM 0 HA ASP A 81 2.579 4.587 -2.363 1.00 0.00 H new ATOM 0 HB2 ASP A 81 1.329 5.540 0.235 1.00 0.00 H new ATOM 0 HB3 ASP A 81 2.270 4.063 0.148 1.00 0.00 H new ATOM 1257 N VAL A 82 -0.481 3.933 -1.266 1.00 0.00 N ATOM 1258 CA VAL A 82 -1.543 2.934 -1.291 1.00 0.00 C ATOM 1259 C VAL A 82 -1.681 2.314 -2.677 1.00 0.00 C ATOM 1260 O VAL A 82 -1.522 1.105 -2.846 1.00 0.00 O ATOM 1261 CB VAL A 82 -2.896 3.542 -0.877 1.00 0.00 C ATOM 1262 CG1 VAL A 82 -4.009 2.515 -1.015 1.00 0.00 C ATOM 1263 CG2 VAL A 82 -2.826 4.076 0.546 1.00 0.00 C ATOM 0 H VAL A 82 -0.712 4.781 -0.748 1.00 0.00 H new ATOM 0 HA VAL A 82 -1.266 2.160 -0.575 1.00 0.00 H new ATOM 0 HB VAL A 82 -3.119 4.375 -1.544 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -4.957 2.964 -0.718 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -4.073 2.185 -2.052 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -3.796 1.659 -0.374 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -3.790 4.502 0.823 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -2.580 3.262 1.228 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -2.058 4.847 0.608 1.00 0.00 H new ATOM 1273 N ARG A 83 -1.977 3.150 -3.667 1.00 0.00 N ATOM 1274 CA ARG A 83 -2.137 2.683 -5.039 1.00 0.00 C ATOM 1275 C ARG A 83 -0.857 2.022 -5.541 1.00 0.00 C ATOM 1276 O ARG A 83 -0.901 1.004 -6.234 1.00 0.00 O ATOM 1277 CB ARG A 83 -2.515 3.848 -5.956 1.00 0.00 C ATOM 1278 CG ARG A 83 -3.926 4.366 -5.732 1.00 0.00 C ATOM 1279 CD ARG A 83 -4.052 5.829 -6.127 1.00 0.00 C ATOM 1280 NE ARG A 83 -4.167 5.998 -7.573 1.00 0.00 N ATOM 1281 CZ ARG A 83 -5.313 5.890 -8.236 1.00 0.00 C ATOM 1282 NH1 ARG A 83 -6.436 5.616 -7.587 1.00 0.00 N ATOM 1283 NH2 ARG A 83 -5.337 6.058 -9.552 1.00 0.00 N ATOM 0 H ARG A 83 -2.111 4.154 -3.545 1.00 0.00 H new ATOM 0 HA ARG A 83 -2.937 1.943 -5.053 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -1.809 4.664 -5.803 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -2.414 3.530 -6.994 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -4.630 3.770 -6.312 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -4.196 4.247 -4.683 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -4.926 6.262 -5.641 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -3.182 6.378 -5.766 1.00 0.00 H new ATOM 0 HE ARG A 83 -3.322 6.210 -8.103 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -6.422 5.487 -6.575 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -7.314 5.534 -8.099 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -4.475 6.270 -10.055 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -6.217 5.975 -10.061 1.00 0.00 H new ATOM 1297 N LEU A 84 0.283 2.606 -5.187 1.00 0.00 N ATOM 1298 CA LEU A 84 1.576 2.074 -5.602 1.00 0.00 C ATOM 1299 C LEU A 84 1.735 0.623 -5.159 1.00 0.00 C ATOM 1300 O LEU A 84 2.104 -0.242 -5.954 1.00 0.00 O ATOM 1301 CB LEU A 84 2.709 2.923 -5.023 1.00 0.00 C ATOM 1302 CG LEU A 84 4.127 2.509 -5.416 1.00 0.00 C ATOM 1303 CD1 LEU A 84 4.492 1.179 -4.774 1.00 0.00 C ATOM 1304 CD2 LEU A 84 4.258 2.427 -6.930 1.00 0.00 C ATOM 0 H LEU A 84 0.338 3.448 -4.614 1.00 0.00 H new ATOM 0 HA LEU A 84 1.623 2.110 -6.690 1.00 0.00 H new ATOM 0 HB2 LEU A 84 2.555 3.957 -5.332 1.00 0.00 H new ATOM 0 HB3 LEU A 84 2.634 2.900 -3.936 1.00 0.00 H new ATOM 0 HG LEU A 84 4.821 3.267 -5.052 1.00 0.00 H new ATOM 0 HD11 LEU A 84 5.505 0.900 -5.065 1.00 0.00 H new ATOM 0 HD12 LEU A 84 4.439 1.272 -3.689 1.00 0.00 H new ATOM 0 HD13 LEU A 84 3.794 0.411 -5.107 1.00 0.00 H new ATOM 0 HD21 LEU A 84 5.274 2.131 -7.192 1.00 0.00 H new ATOM 0 HD22 LEU A 84 3.554 1.690 -7.317 1.00 0.00 H new ATOM 0 HD23 LEU A 84 4.040 3.401 -7.367 1.00 0.00 H new ATOM 1316 N MET A 85 1.453 0.364 -3.887 1.00 0.00 N ATOM 1317 CA MET A 85 1.562 -0.984 -3.340 1.00 0.00 C ATOM 1318 C MET A 85 0.658 -1.952 -4.096 1.00 0.00 C ATOM 1319 O MET A 85 1.101 -3.013 -4.539 1.00 0.00 O ATOM 1320 CB MET A 85 1.199 -0.985 -1.853 1.00 0.00 C ATOM 1321 CG MET A 85 1.046 -2.378 -1.266 1.00 0.00 C ATOM 1322 SD MET A 85 -0.639 -3.006 -1.397 1.00 0.00 S ATOM 1323 CE MET A 85 -1.555 -1.683 -0.612 1.00 0.00 C ATOM 0 H MET A 85 1.148 1.069 -3.216 1.00 0.00 H new ATOM 0 HA MET A 85 2.595 -1.313 -3.455 1.00 0.00 H new ATOM 0 HB2 MET A 85 1.969 -0.449 -1.299 1.00 0.00 H new ATOM 0 HB3 MET A 85 0.267 -0.437 -1.715 1.00 0.00 H new ATOM 0 HG2 MET A 85 1.725 -3.060 -1.778 1.00 0.00 H new ATOM 0 HG3 MET A 85 1.343 -2.361 -0.217 1.00 0.00 H new ATOM 0 HE1 MET A 85 -2.400 -2.101 -0.064 1.00 0.00 H new ATOM 0 HE2 MET A 85 -0.903 -1.149 0.079 1.00 0.00 H new ATOM 0 HE3 MET A 85 -1.921 -0.993 -1.372 1.00 0.00 H new ATOM 1333 N PHE A 86 -0.610 -1.582 -4.240 1.00 0.00 N ATOM 1334 CA PHE A 86 -1.576 -2.419 -4.942 1.00 0.00 C ATOM 1335 C PHE A 86 -1.020 -2.880 -6.286 1.00 0.00 C ATOM 1336 O PHE A 86 -1.069 -4.065 -6.616 1.00 0.00 O ATOM 1337 CB PHE A 86 -2.885 -1.656 -5.153 1.00 0.00 C ATOM 1338 CG PHE A 86 -3.804 -1.702 -3.967 1.00 0.00 C ATOM 1339 CD1 PHE A 86 -4.191 -2.916 -3.421 1.00 0.00 C ATOM 1340 CD2 PHE A 86 -4.282 -0.533 -3.397 1.00 0.00 C ATOM 1341 CE1 PHE A 86 -5.037 -2.962 -2.328 1.00 0.00 C ATOM 1342 CE2 PHE A 86 -5.128 -0.573 -2.305 1.00 0.00 C ATOM 1343 CZ PHE A 86 -5.507 -1.789 -1.770 1.00 0.00 C ATOM 0 H PHE A 86 -0.993 -0.708 -3.880 1.00 0.00 H new ATOM 0 HA PHE A 86 -1.771 -3.299 -4.329 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -2.656 -0.616 -5.385 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -3.402 -2.070 -6.019 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -3.828 -3.836 -3.854 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -3.990 0.421 -3.811 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -5.330 -3.914 -1.911 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -5.493 0.346 -1.870 1.00 0.00 H new ATOM 0 HZ PHE A 86 -6.169 -1.822 -0.917 1.00 0.00 H new ATOM 1353 N SER A 87 -0.493 -1.935 -7.058 1.00 0.00 N ATOM 1354 CA SER A 87 0.068 -2.243 -8.368 1.00 0.00 C ATOM 1355 C SER A 87 1.119 -3.343 -8.264 1.00 0.00 C ATOM 1356 O SER A 87 1.023 -4.374 -8.929 1.00 0.00 O ATOM 1357 CB SER A 87 0.685 -0.989 -8.990 1.00 0.00 C ATOM 1358 OG SER A 87 -0.307 -0.014 -9.264 1.00 0.00 O ATOM 0 H SER A 87 -0.443 -0.950 -6.799 1.00 0.00 H new ATOM 0 HA SER A 87 -0.740 -2.597 -9.008 1.00 0.00 H new ATOM 0 HB2 SER A 87 1.431 -0.573 -8.313 1.00 0.00 H new ATOM 0 HB3 SER A 87 1.203 -1.254 -9.912 1.00 0.00 H new ATOM 0 HG SER A 87 -0.590 0.409 -8.427 1.00 0.00 H new ATOM 1364 N ASN A 88 2.124 -3.115 -7.424 1.00 0.00 N ATOM 1365 CA ASN A 88 3.195 -4.086 -7.233 1.00 0.00 C ATOM 1366 C ASN A 88 2.634 -5.500 -7.120 1.00 0.00 C ATOM 1367 O ASN A 88 3.003 -6.388 -7.890 1.00 0.00 O ATOM 1368 CB ASN A 88 4.003 -3.745 -5.979 1.00 0.00 C ATOM 1369 CG ASN A 88 5.028 -2.656 -6.230 1.00 0.00 C ATOM 1370 OD1 ASN A 88 5.491 -2.472 -7.355 1.00 0.00 O ATOM 1371 ND2 ASN A 88 5.388 -1.929 -5.178 1.00 0.00 N ATOM 0 H ASN A 88 2.219 -2.267 -6.865 1.00 0.00 H new ATOM 0 HA ASN A 88 3.850 -4.042 -8.103 1.00 0.00 H new ATOM 0 HB2 ASN A 88 3.324 -3.426 -5.188 1.00 0.00 H new ATOM 0 HB3 ASN A 88 4.510 -4.642 -5.622 1.00 0.00 H new ATOM 0 HD21 ASN A 88 6.075 -1.183 -5.285 1.00 0.00 H new ATOM 0 HD22 ASN A 88 4.977 -2.117 -4.263 1.00 0.00 H new ATOM 1378 N CYS A 89 1.740 -5.702 -6.158 1.00 0.00 N ATOM 1379 CA CYS A 89 1.128 -7.008 -5.945 1.00 0.00 C ATOM 1380 C CYS A 89 0.928 -7.738 -7.269 1.00 0.00 C ATOM 1381 O CYS A 89 1.627 -8.706 -7.568 1.00 0.00 O ATOM 1382 CB CYS A 89 -0.214 -6.854 -5.226 1.00 0.00 C ATOM 1383 SG CYS A 89 -1.126 -8.402 -5.027 1.00 0.00 S ATOM 0 H CYS A 89 1.423 -4.978 -5.513 1.00 0.00 H new ATOM 0 HA CYS A 89 1.800 -7.599 -5.323 1.00 0.00 H new ATOM 0 HB2 CYS A 89 -0.039 -6.419 -4.242 1.00 0.00 H new ATOM 0 HB3 CYS A 89 -0.833 -6.149 -5.781 1.00 0.00 H new ATOM 0 HG CYS A 89 -2.277 -8.307 -5.624 1.00 0.00 H new ATOM 1389 N TYR A 90 -0.032 -7.268 -8.059 1.00 0.00 N ATOM 1390 CA TYR A 90 -0.327 -7.878 -9.350 1.00 0.00 C ATOM 1391 C TYR A 90 0.891 -7.828 -10.267 1.00 0.00 C ATOM 1392 O TYR A 90 1.107 -8.724 -11.083 1.00 0.00 O ATOM 1393 CB TYR A 90 -1.509 -7.170 -10.014 1.00 0.00 C ATOM 1394 CG TYR A 90 -2.499 -6.592 -9.028 1.00 0.00 C ATOM 1395 CD1 TYR A 90 -3.488 -7.385 -8.460 1.00 0.00 C ATOM 1396 CD2 TYR A 90 -2.445 -5.252 -8.665 1.00 0.00 C ATOM 1397 CE1 TYR A 90 -4.396 -6.860 -7.561 1.00 0.00 C ATOM 1398 CE2 TYR A 90 -3.347 -4.719 -7.765 1.00 0.00 C ATOM 1399 CZ TYR A 90 -4.321 -5.527 -7.216 1.00 0.00 C ATOM 1400 OH TYR A 90 -5.222 -5.000 -6.319 1.00 0.00 O ATOM 0 H TYR A 90 -0.619 -6.466 -7.827 1.00 0.00 H new ATOM 0 HA TYR A 90 -0.588 -8.922 -9.179 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -1.132 -6.369 -10.649 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -2.026 -7.876 -10.664 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -3.548 -8.430 -8.726 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -1.685 -4.616 -9.094 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -5.160 -7.490 -7.131 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -3.290 -3.675 -7.493 1.00 0.00 H new ATOM 0 HH TYR A 90 -5.031 -4.048 -6.184 1.00 0.00 H new ATOM 1410 N LYS A 91 1.686 -6.772 -10.126 1.00 0.00 N ATOM 1411 CA LYS A 91 2.885 -6.603 -10.940 1.00 0.00 C ATOM 1412 C LYS A 91 3.817 -7.801 -10.791 1.00 0.00 C ATOM 1413 O LYS A 91 4.430 -8.246 -11.762 1.00 0.00 O ATOM 1414 CB LYS A 91 3.619 -5.320 -10.542 1.00 0.00 C ATOM 1415 CG LYS A 91 4.463 -4.731 -11.659 1.00 0.00 C ATOM 1416 CD LYS A 91 5.875 -5.291 -11.644 1.00 0.00 C ATOM 1417 CE LYS A 91 6.636 -4.916 -12.907 1.00 0.00 C ATOM 1418 NZ LYS A 91 6.450 -5.925 -13.986 1.00 0.00 N ATOM 0 H LYS A 91 1.522 -6.021 -9.456 1.00 0.00 H new ATOM 0 HA LYS A 91 2.579 -6.531 -11.984 1.00 0.00 H new ATOM 0 HB2 LYS A 91 2.888 -4.578 -10.220 1.00 0.00 H new ATOM 0 HB3 LYS A 91 4.260 -5.529 -9.685 1.00 0.00 H new ATOM 0 HG2 LYS A 91 3.996 -4.944 -12.621 1.00 0.00 H new ATOM 0 HG3 LYS A 91 4.499 -3.646 -11.556 1.00 0.00 H new ATOM 0 HD2 LYS A 91 6.408 -4.914 -10.771 1.00 0.00 H new ATOM 0 HD3 LYS A 91 5.836 -6.376 -11.550 1.00 0.00 H new ATOM 0 HE2 LYS A 91 6.298 -3.941 -13.259 1.00 0.00 H new ATOM 0 HE3 LYS A 91 7.697 -4.821 -12.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 7.305 -5.963 -14.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 6.281 -6.860 -13.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 5.634 -5.659 -14.573 1.00 0.00 H new ATOM 1432 N TYR A 92 3.917 -8.319 -9.573 1.00 0.00 N ATOM 1433 CA TYR A 92 4.775 -9.466 -9.298 1.00 0.00 C ATOM 1434 C TYR A 92 3.976 -10.765 -9.332 1.00 0.00 C ATOM 1435 O TYR A 92 4.079 -11.545 -10.278 1.00 0.00 O ATOM 1436 CB TYR A 92 5.453 -9.307 -7.936 1.00 0.00 C ATOM 1437 CG TYR A 92 6.454 -10.397 -7.627 1.00 0.00 C ATOM 1438 CD1 TYR A 92 7.763 -10.317 -8.088 1.00 0.00 C ATOM 1439 CD2 TYR A 92 6.092 -11.508 -6.876 1.00 0.00 C ATOM 1440 CE1 TYR A 92 8.681 -11.311 -7.809 1.00 0.00 C ATOM 1441 CE2 TYR A 92 7.004 -12.506 -6.591 1.00 0.00 C ATOM 1442 CZ TYR A 92 8.297 -12.403 -7.060 1.00 0.00 C ATOM 1443 OH TYR A 92 9.207 -13.396 -6.779 1.00 0.00 O ATOM 0 H TYR A 92 3.415 -7.963 -8.760 1.00 0.00 H new ATOM 0 HA TYR A 92 5.539 -9.510 -10.074 1.00 0.00 H new ATOM 0 HB2 TYR A 92 5.958 -8.341 -7.901 1.00 0.00 H new ATOM 0 HB3 TYR A 92 4.689 -9.296 -7.158 1.00 0.00 H new ATOM 0 HD1 TYR A 92 8.068 -9.463 -8.675 1.00 0.00 H new ATOM 0 HD2 TYR A 92 5.080 -11.593 -6.508 1.00 0.00 H new ATOM 0 HE1 TYR A 92 9.694 -11.233 -8.176 1.00 0.00 H new ATOM 0 HE2 TYR A 92 6.706 -13.362 -6.004 1.00 0.00 H new ATOM 0 HH TYR A 92 8.776 -14.092 -6.241 1.00 0.00 H new ATOM 1453 N ASN A 93 3.179 -10.989 -8.293 1.00 0.00 N ATOM 1454 CA ASN A 93 2.362 -12.194 -8.203 1.00 0.00 C ATOM 1455 C ASN A 93 1.604 -12.435 -9.505 1.00 0.00 C ATOM 1456 O ASN A 93 1.099 -11.509 -10.139 1.00 0.00 O ATOM 1457 CB ASN A 93 1.375 -12.080 -7.039 1.00 0.00 C ATOM 1458 CG ASN A 93 2.070 -11.835 -5.713 1.00 0.00 C ATOM 1459 OD1 ASN A 93 3.185 -12.307 -5.488 1.00 0.00 O ATOM 1460 ND2 ASN A 93 1.413 -11.096 -4.828 1.00 0.00 N ATOM 0 H ASN A 93 3.081 -10.353 -7.502 1.00 0.00 H new ATOM 0 HA ASN A 93 3.025 -13.041 -8.027 1.00 0.00 H new ATOM 0 HB2 ASN A 93 0.677 -11.266 -7.236 1.00 0.00 H new ATOM 0 HB3 ASN A 93 0.787 -12.995 -6.974 1.00 0.00 H new ATOM 0 HD21 ASN A 93 1.830 -10.899 -3.918 1.00 0.00 H new ATOM 0 HD22 ASN A 93 0.491 -10.725 -5.057 1.00 0.00 H new ATOM 1467 N PRO A 94 1.520 -13.710 -9.913 1.00 0.00 N ATOM 1468 CA PRO A 94 0.825 -14.104 -11.142 1.00 0.00 C ATOM 1469 C PRO A 94 -0.687 -13.938 -11.031 1.00 0.00 C ATOM 1470 O PRO A 94 -1.240 -13.776 -9.943 1.00 0.00 O ATOM 1471 CB PRO A 94 1.191 -15.582 -11.298 1.00 0.00 C ATOM 1472 CG PRO A 94 1.494 -16.046 -9.915 1.00 0.00 C ATOM 1473 CD PRO A 94 2.098 -14.866 -9.206 1.00 0.00 C ATOM 0 HA PRO A 94 1.117 -13.487 -11.992 1.00 0.00 H new ATOM 0 HB2 PRO A 94 0.369 -16.149 -11.735 1.00 0.00 H new ATOM 0 HB3 PRO A 94 2.051 -15.710 -11.956 1.00 0.00 H new ATOM 0 HG2 PRO A 94 0.589 -16.384 -9.410 1.00 0.00 H new ATOM 0 HG3 PRO A 94 2.185 -16.889 -9.929 1.00 0.00 H new ATOM 0 HD2 PRO A 94 1.841 -14.859 -8.147 1.00 0.00 H new ATOM 0 HD3 PRO A 94 3.186 -14.873 -9.270 1.00 0.00 H new ATOM 1481 N PRO A 95 -1.373 -13.979 -12.183 1.00 0.00 N ATOM 1482 CA PRO A 95 -2.831 -13.836 -12.241 1.00 0.00 C ATOM 1483 C PRO A 95 -3.556 -15.042 -11.652 1.00 0.00 C ATOM 1484 O PRO A 95 -4.785 -15.073 -11.598 1.00 0.00 O ATOM 1485 CB PRO A 95 -3.117 -13.720 -13.740 1.00 0.00 C ATOM 1486 CG PRO A 95 -1.973 -14.411 -14.398 1.00 0.00 C ATOM 1487 CD PRO A 95 -0.779 -14.168 -13.517 1.00 0.00 C ATOM 0 HA PRO A 95 -3.180 -12.983 -11.659 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -4.066 -14.190 -14.000 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -3.182 -12.677 -14.051 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -2.170 -15.478 -14.503 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -1.804 -14.018 -15.401 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -0.089 -15.011 -13.534 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -0.217 -13.290 -13.835 1.00 0.00 H new ATOM 1495 N ASP A 96 -2.787 -16.031 -11.212 1.00 0.00 N ATOM 1496 CA ASP A 96 -3.356 -17.239 -10.625 1.00 0.00 C ATOM 1497 C ASP A 96 -3.211 -17.226 -9.107 1.00 0.00 C ATOM 1498 O ASP A 96 -3.995 -17.852 -8.393 1.00 0.00 O ATOM 1499 CB ASP A 96 -2.677 -18.481 -11.204 1.00 0.00 C ATOM 1500 CG ASP A 96 -1.173 -18.321 -11.315 1.00 0.00 C ATOM 1501 OD1 ASP A 96 -0.484 -18.459 -10.283 1.00 0.00 O ATOM 1502 OD2 ASP A 96 -0.685 -18.055 -12.434 1.00 0.00 O ATOM 0 H ASP A 96 -1.768 -16.021 -11.250 1.00 0.00 H new ATOM 0 HA ASP A 96 -4.418 -17.267 -10.870 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -2.902 -19.341 -10.574 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -3.091 -18.691 -12.190 1.00 0.00 H new ATOM 1507 N HIS A 97 -2.203 -16.509 -8.619 1.00 0.00 N ATOM 1508 CA HIS A 97 -1.956 -16.415 -7.185 1.00 0.00 C ATOM 1509 C HIS A 97 -3.222 -16.004 -6.441 1.00 0.00 C ATOM 1510 O HIS A 97 -3.758 -14.919 -6.663 1.00 0.00 O ATOM 1511 CB HIS A 97 -0.837 -15.412 -6.904 1.00 0.00 C ATOM 1512 CG HIS A 97 -0.151 -15.631 -5.591 1.00 0.00 C ATOM 1513 ND1 HIS A 97 -0.744 -16.288 -4.533 1.00 0.00 N ATOM 1514 CD2 HIS A 97 1.085 -15.278 -5.167 1.00 0.00 C ATOM 1515 CE1 HIS A 97 0.098 -16.328 -3.515 1.00 0.00 C ATOM 1516 NE2 HIS A 97 1.215 -15.722 -3.874 1.00 0.00 N ATOM 0 H HIS A 97 -1.545 -15.985 -9.196 1.00 0.00 H new ATOM 0 HA HIS A 97 -1.650 -17.399 -6.829 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -0.099 -15.470 -7.704 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -1.251 -14.404 -6.925 1.00 0.00 H new ATOM 0 HD2 HIS A 97 1.831 -14.746 -5.739 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -0.095 -16.780 -2.553 1.00 0.00 H new ATOM 0 HE2 HIS A 97 2.040 -15.603 -3.286 1.00 0.00 H new ATOM 1524 N GLU A 98 -3.695 -16.879 -5.559 1.00 0.00 N ATOM 1525 CA GLU A 98 -4.900 -16.606 -4.784 1.00 0.00 C ATOM 1526 C GLU A 98 -4.809 -15.246 -4.098 1.00 0.00 C ATOM 1527 O GLU A 98 -5.768 -14.473 -4.097 1.00 0.00 O ATOM 1528 CB GLU A 98 -5.120 -17.702 -3.739 1.00 0.00 C ATOM 1529 CG GLU A 98 -4.297 -17.514 -2.476 1.00 0.00 C ATOM 1530 CD GLU A 98 -4.374 -18.710 -1.547 1.00 0.00 C ATOM 1531 OE1 GLU A 98 -3.877 -19.790 -1.928 1.00 0.00 O ATOM 1532 OE2 GLU A 98 -4.930 -18.565 -0.438 1.00 0.00 O ATOM 0 H GLU A 98 -3.263 -17.782 -5.363 1.00 0.00 H new ATOM 0 HA GLU A 98 -5.747 -16.592 -5.470 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -6.177 -17.731 -3.473 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -4.876 -18.668 -4.181 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -3.257 -17.336 -2.748 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -4.645 -16.626 -1.949 1.00 0.00 H new ATOM 1539 N VAL A 99 -3.650 -14.960 -3.514 1.00 0.00 N ATOM 1540 CA VAL A 99 -3.432 -13.694 -2.825 1.00 0.00 C ATOM 1541 C VAL A 99 -3.936 -12.521 -3.658 1.00 0.00 C ATOM 1542 O VAL A 99 -4.418 -11.524 -3.120 1.00 0.00 O ATOM 1543 CB VAL A 99 -1.942 -13.478 -2.504 1.00 0.00 C ATOM 1544 CG1 VAL A 99 -1.212 -12.909 -3.711 1.00 0.00 C ATOM 1545 CG2 VAL A 99 -1.783 -12.566 -1.296 1.00 0.00 C ATOM 0 H VAL A 99 -2.847 -15.589 -3.504 1.00 0.00 H new ATOM 0 HA VAL A 99 -3.993 -13.742 -1.892 1.00 0.00 H new ATOM 0 HB VAL A 99 -1.498 -14.444 -2.263 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -0.160 -12.763 -3.465 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -1.296 -13.603 -4.547 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -1.656 -11.953 -3.987 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -0.723 -12.425 -1.084 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -2.243 -11.600 -1.506 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -2.269 -13.019 -0.432 1.00 0.00 H new ATOM 1555 N VAL A 100 -3.822 -12.647 -4.977 1.00 0.00 N ATOM 1556 CA VAL A 100 -4.268 -11.598 -5.886 1.00 0.00 C ATOM 1557 C VAL A 100 -5.736 -11.258 -5.656 1.00 0.00 C ATOM 1558 O VAL A 100 -6.107 -10.087 -5.571 1.00 0.00 O ATOM 1559 CB VAL A 100 -4.072 -12.010 -7.357 1.00 0.00 C ATOM 1560 CG1 VAL A 100 -4.766 -11.024 -8.285 1.00 0.00 C ATOM 1561 CG2 VAL A 100 -2.591 -12.114 -7.688 1.00 0.00 C ATOM 0 H VAL A 100 -3.425 -13.465 -5.439 1.00 0.00 H new ATOM 0 HA VAL A 100 -3.658 -10.719 -5.678 1.00 0.00 H new ATOM 0 HB VAL A 100 -4.524 -12.991 -7.505 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -4.617 -11.331 -9.320 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -5.833 -11.004 -8.063 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -4.346 -10.029 -8.138 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -2.471 -12.406 -8.731 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -2.113 -11.148 -7.524 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -2.126 -12.862 -7.046 1.00 0.00 H new ATOM 1571 N ALA A 101 -6.568 -12.289 -5.555 1.00 0.00 N ATOM 1572 CA ALA A 101 -7.995 -12.101 -5.331 1.00 0.00 C ATOM 1573 C ALA A 101 -8.253 -11.348 -4.030 1.00 0.00 C ATOM 1574 O ALA A 101 -9.270 -10.669 -3.886 1.00 0.00 O ATOM 1575 CB ALA A 101 -8.710 -13.444 -5.316 1.00 0.00 C ATOM 0 H ALA A 101 -6.277 -13.264 -5.625 1.00 0.00 H new ATOM 0 HA ALA A 101 -8.389 -11.502 -6.152 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -9.775 -13.287 -5.148 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -8.564 -13.945 -6.273 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -8.304 -14.064 -4.517 1.00 0.00 H new ATOM 1581 N MET A 102 -7.326 -11.473 -3.086 1.00 0.00 N ATOM 1582 CA MET A 102 -7.453 -10.803 -1.797 1.00 0.00 C ATOM 1583 C MET A 102 -7.083 -9.328 -1.912 1.00 0.00 C ATOM 1584 O MET A 102 -7.786 -8.460 -1.395 1.00 0.00 O ATOM 1585 CB MET A 102 -6.565 -11.485 -0.755 1.00 0.00 C ATOM 1586 CG MET A 102 -6.879 -12.959 -0.559 1.00 0.00 C ATOM 1587 SD MET A 102 -6.466 -13.544 1.096 1.00 0.00 S ATOM 1588 CE MET A 102 -4.704 -13.225 1.138 1.00 0.00 C ATOM 0 H MET A 102 -6.479 -12.032 -3.189 1.00 0.00 H new ATOM 0 HA MET A 102 -8.493 -10.874 -1.479 1.00 0.00 H new ATOM 0 HB2 MET A 102 -5.522 -11.381 -1.055 1.00 0.00 H new ATOM 0 HB3 MET A 102 -6.676 -10.969 0.198 1.00 0.00 H new ATOM 0 HG2 MET A 102 -7.939 -13.128 -0.746 1.00 0.00 H new ATOM 0 HG3 MET A 102 -6.328 -13.545 -1.295 1.00 0.00 H new ATOM 0 HE1 MET A 102 -4.162 -14.171 1.119 1.00 0.00 H new ATOM 0 HE2 MET A 102 -4.422 -12.628 0.271 1.00 0.00 H new ATOM 0 HE3 MET A 102 -4.454 -12.682 2.049 1.00 0.00 H new ATOM 1598 N ALA A 103 -5.975 -9.052 -2.592 1.00 0.00 N ATOM 1599 CA ALA A 103 -5.513 -7.682 -2.776 1.00 0.00 C ATOM 1600 C ALA A 103 -6.633 -6.790 -3.302 1.00 0.00 C ATOM 1601 O ALA A 103 -6.765 -5.637 -2.893 1.00 0.00 O ATOM 1602 CB ALA A 103 -4.322 -7.649 -3.721 1.00 0.00 C ATOM 0 H ALA A 103 -5.381 -9.759 -3.025 1.00 0.00 H new ATOM 0 HA ALA A 103 -5.203 -7.296 -1.805 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -3.988 -6.620 -3.849 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -3.510 -8.245 -3.304 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -4.613 -8.059 -4.688 1.00 0.00 H new ATOM 1608 N ARG A 104 -7.437 -7.332 -4.210 1.00 0.00 N ATOM 1609 CA ARG A 104 -8.545 -6.585 -4.793 1.00 0.00 C ATOM 1610 C ARG A 104 -9.563 -6.199 -3.724 1.00 0.00 C ATOM 1611 O ARG A 104 -9.980 -5.044 -3.637 1.00 0.00 O ATOM 1612 CB ARG A 104 -9.226 -7.410 -5.886 1.00 0.00 C ATOM 1613 CG ARG A 104 -8.326 -7.708 -7.074 1.00 0.00 C ATOM 1614 CD ARG A 104 -9.110 -8.308 -8.231 1.00 0.00 C ATOM 1615 NE ARG A 104 -9.665 -9.617 -7.896 1.00 0.00 N ATOM 1616 CZ ARG A 104 -10.565 -10.246 -8.642 1.00 0.00 C ATOM 1617 NH1 ARG A 104 -11.011 -9.690 -9.760 1.00 0.00 N ATOM 1618 NH2 ARG A 104 -11.022 -11.435 -8.271 1.00 0.00 N ATOM 0 H ARG A 104 -7.342 -8.286 -4.558 1.00 0.00 H new ATOM 0 HA ARG A 104 -8.143 -5.673 -5.234 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -9.571 -8.351 -5.457 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -10.110 -6.876 -6.235 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -7.838 -6.790 -7.401 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -7.538 -8.397 -6.771 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -9.918 -7.632 -8.510 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -8.459 -8.402 -9.100 1.00 0.00 H new ATOM 0 HE ARG A 104 -9.343 -10.073 -7.042 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -10.663 -8.776 -10.049 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -11.703 -10.176 -10.331 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -10.682 -11.867 -7.412 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -11.714 -11.917 -8.845 1.00 0.00 H new ATOM 1632 N LYS A 105 -9.959 -7.173 -2.912 1.00 0.00 N ATOM 1633 CA LYS A 105 -10.927 -6.937 -1.848 1.00 0.00 C ATOM 1634 C LYS A 105 -10.626 -5.632 -1.118 1.00 0.00 C ATOM 1635 O LYS A 105 -11.419 -4.690 -1.157 1.00 0.00 O ATOM 1636 CB LYS A 105 -10.919 -8.102 -0.856 1.00 0.00 C ATOM 1637 CG LYS A 105 -11.850 -9.238 -1.244 1.00 0.00 C ATOM 1638 CD LYS A 105 -11.697 -10.428 -0.311 1.00 0.00 C ATOM 1639 CE LYS A 105 -12.796 -11.455 -0.533 1.00 0.00 C ATOM 1640 NZ LYS A 105 -12.744 -12.037 -1.903 1.00 0.00 N ATOM 0 H LYS A 105 -9.624 -8.135 -2.971 1.00 0.00 H new ATOM 0 HA LYS A 105 -11.915 -6.860 -2.301 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -9.903 -8.489 -0.771 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -11.203 -7.731 0.129 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -12.882 -8.888 -1.222 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -11.640 -9.548 -2.268 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -10.725 -10.894 -0.470 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -11.721 -10.086 0.724 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -12.702 -12.253 0.204 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -13.768 -10.987 -0.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -13.466 -12.780 -1.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -12.927 -11.291 -2.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -11.803 -12.447 -2.071 1.00 0.00 H new ATOM 1654 N LEU A 106 -9.476 -5.582 -0.455 1.00 0.00 N ATOM 1655 CA LEU A 106 -9.069 -4.391 0.282 1.00 0.00 C ATOM 1656 C LEU A 106 -9.274 -3.134 -0.557 1.00 0.00 C ATOM 1657 O LEU A 106 -9.985 -2.216 -0.152 1.00 0.00 O ATOM 1658 CB LEU A 106 -7.603 -4.504 0.703 1.00 0.00 C ATOM 1659 CG LEU A 106 -7.112 -3.464 1.711 1.00 0.00 C ATOM 1660 CD1 LEU A 106 -7.793 -3.660 3.056 1.00 0.00 C ATOM 1661 CD2 LEU A 106 -5.599 -3.540 1.861 1.00 0.00 C ATOM 0 H LEU A 106 -8.809 -6.352 -0.413 1.00 0.00 H new ATOM 0 HA LEU A 106 -9.692 -4.315 1.173 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -7.443 -5.495 1.127 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -6.983 -4.436 -0.191 1.00 0.00 H new ATOM 0 HG LEU A 106 -7.371 -2.473 1.337 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -7.431 -2.911 3.760 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -8.871 -3.554 2.937 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -7.566 -4.656 3.437 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -5.267 -2.793 2.582 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -5.318 -4.533 2.212 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -5.128 -3.348 0.897 1.00 0.00 H new ATOM 1673 N GLN A 107 -8.647 -3.103 -1.729 1.00 0.00 N ATOM 1674 CA GLN A 107 -8.762 -1.959 -2.626 1.00 0.00 C ATOM 1675 C GLN A 107 -10.221 -1.556 -2.809 1.00 0.00 C ATOM 1676 O GLN A 107 -10.588 -0.401 -2.591 1.00 0.00 O ATOM 1677 CB GLN A 107 -8.136 -2.284 -3.983 1.00 0.00 C ATOM 1678 CG GLN A 107 -8.216 -1.139 -4.980 1.00 0.00 C ATOM 1679 CD GLN A 107 -7.791 -1.550 -6.376 1.00 0.00 C ATOM 1680 OE1 GLN A 107 -7.735 -2.737 -6.696 1.00 0.00 O ATOM 1681 NE2 GLN A 107 -7.489 -0.567 -7.216 1.00 0.00 N ATOM 0 H GLN A 107 -8.055 -3.856 -2.079 1.00 0.00 H new ATOM 0 HA GLN A 107 -8.226 -1.122 -2.178 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -7.090 -2.554 -3.836 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -8.635 -3.157 -4.404 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -9.238 -0.761 -5.012 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -7.583 -0.320 -4.638 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -7.549 0.404 -6.908 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -7.197 -0.782 -8.169 1.00 0.00 H new ATOM 1690 N ASP A 108 -11.048 -2.514 -3.211 1.00 0.00 N ATOM 1691 CA ASP A 108 -12.468 -2.259 -3.424 1.00 0.00 C ATOM 1692 C ASP A 108 -13.041 -1.405 -2.297 1.00 0.00 C ATOM 1693 O ASP A 108 -14.020 -0.682 -2.487 1.00 0.00 O ATOM 1694 CB ASP A 108 -13.236 -3.578 -3.521 1.00 0.00 C ATOM 1695 CG ASP A 108 -13.313 -4.099 -4.943 1.00 0.00 C ATOM 1696 OD1 ASP A 108 -13.667 -3.312 -5.846 1.00 0.00 O ATOM 1697 OD2 ASP A 108 -13.018 -5.294 -5.152 1.00 0.00 O ATOM 0 H ASP A 108 -10.760 -3.475 -3.396 1.00 0.00 H new ATOM 0 HA ASP A 108 -12.578 -1.714 -4.362 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -12.753 -4.324 -2.889 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -14.245 -3.437 -3.133 1.00 0.00 H new ATOM 1702 N VAL A 109 -12.425 -1.493 -1.122 1.00 0.00 N ATOM 1703 CA VAL A 109 -12.874 -0.729 0.036 1.00 0.00 C ATOM 1704 C VAL A 109 -12.233 0.655 0.062 1.00 0.00 C ATOM 1705 O VAL A 109 -12.886 1.647 0.387 1.00 0.00 O ATOM 1706 CB VAL A 109 -12.547 -1.459 1.351 1.00 0.00 C ATOM 1707 CG1 VAL A 109 -12.926 -0.600 2.548 1.00 0.00 C ATOM 1708 CG2 VAL A 109 -13.256 -2.804 1.404 1.00 0.00 C ATOM 0 H VAL A 109 -11.614 -2.086 -0.947 1.00 0.00 H new ATOM 0 HA VAL A 109 -13.955 -0.624 -0.053 1.00 0.00 H new ATOM 0 HB VAL A 109 -11.473 -1.638 1.389 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -12.687 -1.133 3.468 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -12.368 0.336 2.515 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -13.995 -0.387 2.519 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -13.014 -3.306 2.340 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -14.333 -2.650 1.343 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -12.930 -3.421 0.566 1.00 0.00 H new ATOM 1718 N PHE A 110 -10.951 0.714 -0.283 1.00 0.00 N ATOM 1719 CA PHE A 110 -10.221 1.976 -0.298 1.00 0.00 C ATOM 1720 C PHE A 110 -10.805 2.929 -1.337 1.00 0.00 C ATOM 1721 O PHE A 110 -11.060 4.098 -1.047 1.00 0.00 O ATOM 1722 CB PHE A 110 -8.740 1.729 -0.592 1.00 0.00 C ATOM 1723 CG PHE A 110 -7.950 2.991 -0.790 1.00 0.00 C ATOM 1724 CD1 PHE A 110 -8.059 3.715 -1.967 1.00 0.00 C ATOM 1725 CD2 PHE A 110 -7.098 3.453 0.200 1.00 0.00 C ATOM 1726 CE1 PHE A 110 -7.333 4.877 -2.153 1.00 0.00 C ATOM 1727 CE2 PHE A 110 -6.370 4.615 0.020 1.00 0.00 C ATOM 1728 CZ PHE A 110 -6.487 5.326 -1.158 1.00 0.00 C ATOM 0 H PHE A 110 -10.396 -0.097 -0.556 1.00 0.00 H new ATOM 0 HA PHE A 110 -10.318 2.435 0.686 1.00 0.00 H new ATOM 0 HB2 PHE A 110 -8.304 1.162 0.231 1.00 0.00 H new ATOM 0 HB3 PHE A 110 -8.653 1.111 -1.486 1.00 0.00 H new ATOM 0 HD1 PHE A 110 -8.719 3.367 -2.748 1.00 0.00 H new ATOM 0 HD2 PHE A 110 -7.001 2.900 1.122 1.00 0.00 H new ATOM 0 HE1 PHE A 110 -7.427 5.432 -3.074 1.00 0.00 H new ATOM 0 HE2 PHE A 110 -5.711 4.966 0.800 1.00 0.00 H new ATOM 0 HZ PHE A 110 -5.917 6.232 -1.301 1.00 0.00 H new ATOM 1738 N GLU A 111 -11.013 2.421 -2.547 1.00 0.00 N ATOM 1739 CA GLU A 111 -11.566 3.228 -3.629 1.00 0.00 C ATOM 1740 C GLU A 111 -12.743 4.064 -3.137 1.00 0.00 C ATOM 1741 O GLU A 111 -12.664 5.291 -3.075 1.00 0.00 O ATOM 1742 CB GLU A 111 -12.010 2.332 -4.787 1.00 0.00 C ATOM 1743 CG GLU A 111 -10.883 1.955 -5.733 1.00 0.00 C ATOM 1744 CD GLU A 111 -11.342 1.044 -6.854 1.00 0.00 C ATOM 1745 OE1 GLU A 111 -12.054 0.060 -6.566 1.00 0.00 O ATOM 1746 OE2 GLU A 111 -10.988 1.315 -8.021 1.00 0.00 O ATOM 0 H GLU A 111 -10.807 1.455 -2.803 1.00 0.00 H new ATOM 0 HA GLU A 111 -10.786 3.903 -3.980 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -12.452 1.422 -4.382 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -12.791 2.842 -5.351 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -10.453 2.861 -6.160 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -10.091 1.461 -5.170 1.00 0.00 H new ATOM 1753 N MET A 112 -13.835 3.391 -2.790 1.00 0.00 N ATOM 1754 CA MET A 112 -15.030 4.072 -2.303 1.00 0.00 C ATOM 1755 C MET A 112 -14.701 4.958 -1.105 1.00 0.00 C ATOM 1756 O MET A 112 -15.198 6.079 -0.996 1.00 0.00 O ATOM 1757 CB MET A 112 -16.103 3.052 -1.917 1.00 0.00 C ATOM 1758 CG MET A 112 -15.628 2.025 -0.902 1.00 0.00 C ATOM 1759 SD MET A 112 -16.756 0.626 -0.750 1.00 0.00 S ATOM 1760 CE MET A 112 -18.284 1.466 -0.340 1.00 0.00 C ATOM 0 H MET A 112 -13.918 2.375 -2.837 1.00 0.00 H new ATOM 0 HA MET A 112 -15.410 4.703 -3.106 1.00 0.00 H new ATOM 0 HB2 MET A 112 -16.965 3.580 -1.511 1.00 0.00 H new ATOM 0 HB3 MET A 112 -16.440 2.534 -2.815 1.00 0.00 H new ATOM 0 HG2 MET A 112 -14.642 1.662 -1.192 1.00 0.00 H new ATOM 0 HG3 MET A 112 -15.517 2.505 0.070 1.00 0.00 H new ATOM 0 HE1 MET A 112 -19.022 0.736 -0.007 1.00 0.00 H new ATOM 0 HE2 MET A 112 -18.101 2.187 0.457 1.00 0.00 H new ATOM 0 HE3 MET A 112 -18.660 1.987 -1.220 1.00 0.00 H new ATOM 1770 N ARG A 113 -13.860 4.448 -0.211 1.00 0.00 N ATOM 1771 CA ARG A 113 -13.466 5.193 0.979 1.00 0.00 C ATOM 1772 C ARG A 113 -12.900 6.559 0.602 1.00 0.00 C ATOM 1773 O ARG A 113 -13.142 7.553 1.287 1.00 0.00 O ATOM 1774 CB ARG A 113 -12.430 4.404 1.781 1.00 0.00 C ATOM 1775 CG ARG A 113 -13.042 3.405 2.749 1.00 0.00 C ATOM 1776 CD ARG A 113 -13.605 4.096 3.981 1.00 0.00 C ATOM 1777 NE ARG A 113 -14.229 3.149 4.902 1.00 0.00 N ATOM 1778 CZ ARG A 113 -14.986 3.515 5.931 1.00 0.00 C ATOM 1779 NH1 ARG A 113 -15.211 4.800 6.168 1.00 0.00 N ATOM 1780 NH2 ARG A 113 -15.519 2.595 6.724 1.00 0.00 N ATOM 0 H ARG A 113 -13.439 3.522 -0.288 1.00 0.00 H new ATOM 0 HA ARG A 113 -14.354 5.343 1.594 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -11.775 3.873 1.090 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -11.806 5.102 2.339 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -13.835 2.850 2.248 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -12.287 2.679 3.051 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -12.805 4.629 4.495 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -14.339 4.842 3.675 1.00 0.00 H new ATOM 0 HE ARG A 113 -14.075 2.153 4.747 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -14.803 5.510 5.560 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -15.792 5.079 6.958 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -15.348 1.606 6.544 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -16.100 2.877 7.514 1.00 0.00 H new ATOM 1794 N PHE A 114 -12.145 6.601 -0.491 1.00 0.00 N ATOM 1795 CA PHE A 114 -11.544 7.844 -0.958 1.00 0.00 C ATOM 1796 C PHE A 114 -12.615 8.827 -1.421 1.00 0.00 C ATOM 1797 O PHE A 114 -12.746 9.922 -0.874 1.00 0.00 O ATOM 1798 CB PHE A 114 -10.565 7.564 -2.101 1.00 0.00 C ATOM 1799 CG PHE A 114 -9.446 8.562 -2.190 1.00 0.00 C ATOM 1800 CD1 PHE A 114 -9.605 9.738 -2.906 1.00 0.00 C ATOM 1801 CD2 PHE A 114 -8.237 8.325 -1.558 1.00 0.00 C ATOM 1802 CE1 PHE A 114 -8.576 10.657 -2.991 1.00 0.00 C ATOM 1803 CE2 PHE A 114 -7.205 9.241 -1.638 1.00 0.00 C ATOM 1804 CZ PHE A 114 -7.375 10.409 -2.355 1.00 0.00 C ATOM 0 H PHE A 114 -11.935 5.788 -1.070 1.00 0.00 H new ATOM 0 HA PHE A 114 -11.002 8.291 -0.125 1.00 0.00 H new ATOM 0 HB2 PHE A 114 -10.143 6.567 -1.971 1.00 0.00 H new ATOM 0 HB3 PHE A 114 -11.112 7.558 -3.044 1.00 0.00 H new ATOM 0 HD1 PHE A 114 -10.543 9.938 -3.403 1.00 0.00 H new ATOM 0 HD2 PHE A 114 -8.099 7.413 -0.996 1.00 0.00 H new ATOM 0 HE1 PHE A 114 -8.711 11.568 -3.554 1.00 0.00 H new ATOM 0 HE2 PHE A 114 -6.267 9.044 -1.140 1.00 0.00 H new ATOM 0 HZ PHE A 114 -6.571 11.127 -2.418 1.00 0.00 H new ATOM 1814 N ALA A 115 -13.379 8.427 -2.432 1.00 0.00 N ATOM 1815 CA ALA A 115 -14.441 9.271 -2.968 1.00 0.00 C ATOM 1816 C ALA A 115 -15.376 9.746 -1.861 1.00 0.00 C ATOM 1817 O ALA A 115 -15.673 10.936 -1.752 1.00 0.00 O ATOM 1818 CB ALA A 115 -15.222 8.522 -4.037 1.00 0.00 C ATOM 0 H ALA A 115 -13.283 7.524 -2.897 1.00 0.00 H new ATOM 0 HA ALA A 115 -13.980 10.149 -3.420 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -16.011 9.164 -4.428 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -14.550 8.239 -4.847 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -15.665 7.626 -3.603 1.00 0.00 H new ATOM 1824 N LYS A 116 -15.839 8.808 -1.041 1.00 0.00 N ATOM 1825 CA LYS A 116 -16.741 9.129 0.059 1.00 0.00 C ATOM 1826 C LYS A 116 -16.387 10.478 0.676 1.00 0.00 C ATOM 1827 O LYS A 116 -17.269 11.267 1.014 1.00 0.00 O ATOM 1828 CB LYS A 116 -16.684 8.036 1.128 1.00 0.00 C ATOM 1829 CG LYS A 116 -17.350 6.738 0.707 1.00 0.00 C ATOM 1830 CD LYS A 116 -18.828 6.729 1.059 1.00 0.00 C ATOM 1831 CE LYS A 116 -19.544 5.542 0.433 1.00 0.00 C ATOM 1832 NZ LYS A 116 -19.606 5.651 -1.050 1.00 0.00 N ATOM 0 H LYS A 116 -15.604 7.818 -1.118 1.00 0.00 H new ATOM 0 HA LYS A 116 -17.754 9.186 -0.339 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -15.642 7.836 1.376 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -17.163 8.402 2.036 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -17.230 6.599 -0.367 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -16.854 5.899 1.195 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -18.945 6.695 2.142 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -19.290 7.655 0.717 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -19.030 4.621 0.708 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -20.555 5.475 0.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -20.330 5.000 -1.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -19.851 6.626 -1.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -18.681 5.403 -1.455 1.00 0.00 H new ATOM 1846 N MET A 117 -15.091 10.737 0.819 1.00 0.00 N ATOM 1847 CA MET A 117 -14.621 11.992 1.394 1.00 0.00 C ATOM 1848 C MET A 117 -15.414 13.173 0.841 1.00 0.00 C ATOM 1849 O MET A 117 -15.796 13.184 -0.329 1.00 0.00 O ATOM 1850 CB MET A 117 -13.131 12.184 1.106 1.00 0.00 C ATOM 1851 CG MET A 117 -12.564 13.476 1.671 1.00 0.00 C ATOM 1852 SD MET A 117 -11.160 14.092 0.723 1.00 0.00 S ATOM 1853 CE MET A 117 -10.118 12.635 0.676 1.00 0.00 C ATOM 0 H MET A 117 -14.348 10.094 0.545 1.00 0.00 H new ATOM 0 HA MET A 117 -14.772 11.948 2.473 1.00 0.00 H new ATOM 0 HB2 MET A 117 -12.578 11.342 1.521 1.00 0.00 H new ATOM 0 HB3 MET A 117 -12.973 12.168 0.028 1.00 0.00 H new ATOM 0 HG2 MET A 117 -13.347 14.235 1.688 1.00 0.00 H new ATOM 0 HG3 MET A 117 -12.256 13.312 2.704 1.00 0.00 H new ATOM 0 HE1 MET A 117 -9.122 12.911 0.331 1.00 0.00 H new ATOM 0 HE2 MET A 117 -10.050 12.204 1.675 1.00 0.00 H new ATOM 0 HE3 MET A 117 -10.548 11.902 -0.007 1.00 0.00 H new