USER MOD reduce.3.24.130724 H: found=0, std=0, add=731, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 734 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 98 THR OG1 : rot 163:sc= 0.829 USER MOD Set 1.2: A 108 LYS NZ :NH3+ 150:sc= 1.73 (180deg=0.76) USER MOD Set 2.1: A 37 THR OG1 : rot 110:sc= 0 USER MOD Set 2.2: A 69 THR OG1 : rot -73:sc= 1.24 USER MOD Single : A 12 MET CE :methyl 170:sc= 0 (180deg=-0.0166) USER MOD Single : A 13 TYR OH : rot 168:sc= 1.11 USER MOD Single : A 16 THR OG1 : rot 75:sc= 0.188 USER MOD Single : A 19 GLN : amide:sc= -0.0376 X(o=-0.038,f=0) USER MOD Single : A 20 SER OG : rot -57:sc= 1 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=-0.059) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=-0.0083) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot -170:sc= -0.173 USER MOD Single : A 50 SER OG : rot -149:sc= 1.31 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 173:sc= 0.925 (180deg=0.888) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 31:sc= 0.305 USER MOD Single : A 68 THR OG1 : rot 27:sc= 0.467 USER MOD Single : A 71 LYS NZ :NH3+ -170:sc= 0.043 (180deg=-0.282) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 93 MET CE :methyl 162:sc= -0.028 (180deg=-0.358) USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 ASN : amide:sc= -0.565 X(o=-0.57,f=-0.34) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 125 ASN : amide:sc= 0 X(o=0,f=-0.007) USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD Single : A 128 TYR OH : rot 180:sc= 0 USER MOD Single : A 129 ASN : amide:sc= 0.164 K(o=0.16,f=-0.36) USER MOD ----------------------------------------------------------------- ATOM 109 N GLY A 10 -18.613 -3.283 -3.416 1.00 0.00 N ATOM 110 CA GLY A 10 -18.078 -2.217 -2.588 1.00 0.00 C ATOM 111 C GLY A 10 -17.978 -2.598 -1.109 1.00 0.00 C ATOM 112 O GLY A 10 -18.984 -2.799 -0.426 1.00 0.00 O ATOM 0 HA2 GLY A 10 -17.089 -1.943 -2.954 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -18.711 -1.335 -2.688 1.00 0.00 H new ATOM 116 N ALA A 11 -16.760 -2.550 -0.559 1.00 0.00 N ATOM 117 CA ALA A 11 -16.475 -2.640 0.878 1.00 0.00 C ATOM 118 C ALA A 11 -15.667 -1.412 1.330 1.00 0.00 C ATOM 119 O ALA A 11 -15.268 -0.600 0.489 1.00 0.00 O ATOM 120 CB ALA A 11 -15.750 -3.955 1.162 1.00 0.00 C ATOM 0 H ALA A 11 -15.916 -2.444 -1.121 1.00 0.00 H new ATOM 0 HA ALA A 11 -17.401 -2.639 1.452 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -15.535 -4.029 2.228 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -16.381 -4.791 0.860 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -14.816 -3.984 0.601 1.00 0.00 H new ATOM 126 N MET A 12 -15.409 -1.265 2.633 1.00 0.00 N ATOM 127 CA MET A 12 -14.379 -0.354 3.141 1.00 0.00 C ATOM 128 C MET A 12 -13.037 -1.094 3.264 1.00 0.00 C ATOM 129 O MET A 12 -13.022 -2.322 3.440 1.00 0.00 O ATOM 130 CB MET A 12 -14.727 0.171 4.537 1.00 0.00 C ATOM 131 CG MET A 12 -15.943 1.082 4.544 1.00 0.00 C ATOM 132 SD MET A 12 -16.332 1.637 6.219 1.00 0.00 S ATOM 133 CE MET A 12 -17.428 0.284 6.691 1.00 0.00 C ATOM 0 H MET A 12 -15.907 -1.773 3.364 1.00 0.00 H new ATOM 0 HA MET A 12 -14.317 0.476 2.437 1.00 0.00 H new ATOM 0 HB2 MET A 12 -14.909 -0.674 5.202 1.00 0.00 H new ATOM 0 HB3 MET A 12 -13.871 0.714 4.939 1.00 0.00 H new ATOM 0 HG2 MET A 12 -15.758 1.946 3.905 1.00 0.00 H new ATOM 0 HG3 MET A 12 -16.799 0.554 4.125 1.00 0.00 H new ATOM 0 HE1 MET A 12 -17.641 0.343 7.758 1.00 0.00 H new ATOM 0 HE2 MET A 12 -18.360 0.358 6.131 1.00 0.00 H new ATOM 0 HE3 MET A 12 -16.947 -0.668 6.469 1.00 0.00 H new ATOM 143 N TYR A 13 -11.929 -0.346 3.278 1.00 0.00 N ATOM 144 CA TYR A 13 -10.612 -0.829 3.689 1.00 0.00 C ATOM 145 C TYR A 13 -9.834 0.279 4.416 1.00 0.00 C ATOM 146 O TYR A 13 -10.201 1.457 4.358 1.00 0.00 O ATOM 147 CB TYR A 13 -9.833 -1.384 2.480 1.00 0.00 C ATOM 148 CG TYR A 13 -9.305 -0.360 1.488 1.00 0.00 C ATOM 149 CD1 TYR A 13 -8.040 0.231 1.680 1.00 0.00 C ATOM 150 CD2 TYR A 13 -10.054 -0.032 0.345 1.00 0.00 C ATOM 151 CE1 TYR A 13 -7.553 1.185 0.769 1.00 0.00 C ATOM 152 CE2 TYR A 13 -9.568 0.909 -0.579 1.00 0.00 C ATOM 153 CZ TYR A 13 -8.329 1.545 -0.355 1.00 0.00 C ATOM 154 OH TYR A 13 -7.894 2.494 -1.227 1.00 0.00 O ATOM 0 H TYR A 13 -11.926 0.634 2.997 1.00 0.00 H new ATOM 0 HA TYR A 13 -10.743 -1.651 4.393 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -8.989 -1.964 2.854 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -10.482 -2.076 1.944 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -7.440 -0.051 2.533 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -11.009 -0.506 0.175 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -6.587 1.642 0.928 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -10.144 1.145 -1.462 1.00 0.00 H new ATOM 0 HH TYR A 13 -8.451 2.478 -2.033 1.00 0.00 H new ATOM 164 N GLU A 14 -8.728 -0.100 5.060 1.00 0.00 N ATOM 165 CA GLU A 14 -7.656 0.783 5.517 1.00 0.00 C ATOM 166 C GLU A 14 -6.355 0.090 5.117 1.00 0.00 C ATOM 167 O GLU A 14 -6.276 -1.138 5.169 1.00 0.00 O ATOM 168 CB GLU A 14 -7.732 0.991 7.040 1.00 0.00 C ATOM 169 CG GLU A 14 -6.576 1.842 7.591 1.00 0.00 C ATOM 170 CD GLU A 14 -6.893 2.400 8.977 1.00 0.00 C ATOM 171 OE1 GLU A 14 -7.641 3.401 9.059 1.00 0.00 O ATOM 172 OE2 GLU A 14 -6.489 1.798 9.999 1.00 0.00 O ATOM 0 H GLU A 14 -8.548 -1.078 5.287 1.00 0.00 H new ATOM 0 HA GLU A 14 -7.730 1.775 5.071 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -8.679 1.471 7.288 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -7.728 0.019 7.534 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -5.671 1.237 7.641 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -6.372 2.665 6.906 1.00 0.00 H new ATOM 179 N VAL A 15 -5.340 0.840 4.710 1.00 0.00 N ATOM 180 CA VAL A 15 -4.079 0.291 4.243 1.00 0.00 C ATOM 181 C VAL A 15 -2.967 0.950 5.039 1.00 0.00 C ATOM 182 O VAL A 15 -2.980 2.170 5.226 1.00 0.00 O ATOM 183 CB VAL A 15 -3.990 0.432 2.711 1.00 0.00 C ATOM 184 CG1 VAL A 15 -4.067 1.865 2.191 1.00 0.00 C ATOM 185 CG2 VAL A 15 -2.724 -0.198 2.131 1.00 0.00 C ATOM 0 H VAL A 15 -5.372 1.859 4.696 1.00 0.00 H new ATOM 0 HA VAL A 15 -3.987 -0.781 4.419 1.00 0.00 H new ATOM 0 HB VAL A 15 -4.877 -0.104 2.374 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -3.996 1.862 1.103 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -5.015 2.311 2.491 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -3.245 2.448 2.607 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -2.716 -0.068 1.049 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -1.847 0.286 2.561 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -2.705 -1.262 2.369 1.00 0.00 H new ATOM 195 N THR A 16 -2.022 0.147 5.517 1.00 0.00 N ATOM 196 CA THR A 16 -1.002 0.562 6.466 1.00 0.00 C ATOM 197 C THR A 16 0.337 0.135 5.872 1.00 0.00 C ATOM 198 O THR A 16 0.504 -1.044 5.533 1.00 0.00 O ATOM 199 CB THR A 16 -1.274 -0.074 7.849 1.00 0.00 C ATOM 200 OG1 THR A 16 -2.649 -0.389 8.029 1.00 0.00 O ATOM 201 CG2 THR A 16 -0.849 0.869 8.973 1.00 0.00 C ATOM 0 H THR A 16 -1.945 -0.834 5.247 1.00 0.00 H new ATOM 0 HA THR A 16 -1.002 1.640 6.629 1.00 0.00 H new ATOM 0 HB THR A 16 -0.690 -0.994 7.885 1.00 0.00 H new ATOM 0 HG1 THR A 16 -2.872 -1.190 7.511 1.00 0.00 H new ATOM 0 HG21 THR A 16 -1.050 0.400 9.936 1.00 0.00 H new ATOM 0 HG22 THR A 16 0.217 1.080 8.887 1.00 0.00 H new ATOM 0 HG23 THR A 16 -1.410 1.800 8.898 1.00 0.00 H new ATOM 209 N ILE A 17 1.245 1.091 5.670 1.00 0.00 N ATOM 210 CA ILE A 17 2.553 0.855 5.085 1.00 0.00 C ATOM 211 C ILE A 17 3.598 1.484 6.005 1.00 0.00 C ATOM 212 O ILE A 17 3.639 2.705 6.178 1.00 0.00 O ATOM 213 CB ILE A 17 2.563 1.343 3.616 1.00 0.00 C ATOM 214 CG1 ILE A 17 3.901 1.042 2.909 1.00 0.00 C ATOM 215 CG2 ILE A 17 2.223 2.828 3.435 1.00 0.00 C ATOM 216 CD1 ILE A 17 3.813 -0.250 2.096 1.00 0.00 C ATOM 0 H ILE A 17 1.082 2.068 5.915 1.00 0.00 H new ATOM 0 HA ILE A 17 2.803 -0.204 5.018 1.00 0.00 H new ATOM 0 HB ILE A 17 1.762 0.770 3.149 1.00 0.00 H new ATOM 0 HG12 ILE A 17 4.164 1.872 2.253 1.00 0.00 H new ATOM 0 HG13 ILE A 17 4.696 0.956 3.649 1.00 0.00 H new ATOM 0 HG21 ILE A 17 2.254 3.082 2.375 1.00 0.00 H new ATOM 0 HG22 ILE A 17 1.224 3.023 3.826 1.00 0.00 H new ATOM 0 HG23 ILE A 17 2.949 3.436 3.975 1.00 0.00 H new ATOM 0 HD11 ILE A 17 4.769 -0.439 1.608 1.00 0.00 H new ATOM 0 HD12 ILE A 17 3.574 -1.081 2.759 1.00 0.00 H new ATOM 0 HD13 ILE A 17 3.033 -0.152 1.341 1.00 0.00 H new ATOM 228 N GLU A 18 4.426 0.639 6.619 1.00 0.00 N ATOM 229 CA GLU A 18 5.602 1.081 7.338 1.00 0.00 C ATOM 230 C GLU A 18 6.807 0.962 6.410 1.00 0.00 C ATOM 231 O GLU A 18 7.482 -0.072 6.364 1.00 0.00 O ATOM 232 CB GLU A 18 5.841 0.262 8.607 1.00 0.00 C ATOM 233 CG GLU A 18 5.022 0.654 9.838 1.00 0.00 C ATOM 234 CD GLU A 18 3.560 0.203 9.828 1.00 0.00 C ATOM 235 OE1 GLU A 18 3.284 -0.943 10.270 1.00 0.00 O ATOM 236 OE2 GLU A 18 2.695 1.064 9.565 1.00 0.00 O ATOM 0 H GLU A 18 4.292 -0.372 6.627 1.00 0.00 H new ATOM 0 HA GLU A 18 5.451 2.115 7.648 1.00 0.00 H new ATOM 0 HB2 GLU A 18 5.637 -0.785 8.381 1.00 0.00 H new ATOM 0 HB3 GLU A 18 6.898 0.332 8.864 1.00 0.00 H new ATOM 0 HG2 GLU A 18 5.506 0.239 10.722 1.00 0.00 H new ATOM 0 HG3 GLU A 18 5.049 1.739 9.940 1.00 0.00 H new ATOM 243 N GLN A 19 7.098 2.038 5.691 1.00 0.00 N ATOM 244 CA GLN A 19 8.374 2.225 5.018 1.00 0.00 C ATOM 245 C GLN A 19 9.381 2.620 6.115 1.00 0.00 C ATOM 246 O GLN A 19 8.977 3.030 7.210 1.00 0.00 O ATOM 247 CB GLN A 19 8.233 3.299 3.920 1.00 0.00 C ATOM 248 CG GLN A 19 7.012 3.062 3.006 1.00 0.00 C ATOM 249 CD GLN A 19 6.846 4.160 1.973 1.00 0.00 C ATOM 250 OE1 GLN A 19 5.871 4.911 1.990 1.00 0.00 O ATOM 251 NE2 GLN A 19 7.793 4.301 1.066 1.00 0.00 N ATOM 0 H GLN A 19 6.448 2.812 5.558 1.00 0.00 H new ATOM 0 HA GLN A 19 8.719 1.323 4.512 1.00 0.00 H new ATOM 0 HB2 GLN A 19 8.147 4.280 4.387 1.00 0.00 H new ATOM 0 HB3 GLN A 19 9.138 3.313 3.313 1.00 0.00 H new ATOM 0 HG2 GLN A 19 7.120 2.103 2.500 1.00 0.00 H new ATOM 0 HG3 GLN A 19 6.111 3.000 3.616 1.00 0.00 H new ATOM 0 HE21 GLN A 19 8.595 3.671 1.064 1.00 0.00 H new ATOM 0 HE22 GLN A 19 7.723 5.040 0.366 1.00 0.00 H new ATOM 260 N SER A 20 10.696 2.505 5.897 1.00 0.00 N ATOM 261 CA SER A 20 11.660 2.913 6.922 1.00 0.00 C ATOM 262 C SER A 20 13.074 3.107 6.362 1.00 0.00 C ATOM 263 O SER A 20 13.331 2.792 5.196 1.00 0.00 O ATOM 264 CB SER A 20 11.647 1.885 8.075 1.00 0.00 C ATOM 265 OG SER A 20 12.074 0.598 7.653 1.00 0.00 O ATOM 0 H SER A 20 11.110 2.141 5.039 1.00 0.00 H new ATOM 0 HA SER A 20 11.355 3.888 7.302 1.00 0.00 H new ATOM 0 HB2 SER A 20 12.295 2.235 8.879 1.00 0.00 H new ATOM 0 HB3 SER A 20 10.640 1.815 8.485 1.00 0.00 H new ATOM 0 HG SER A 20 11.511 0.294 6.911 1.00 0.00 H new ATOM 271 N GLY A 21 13.971 3.600 7.221 1.00 0.00 N ATOM 272 CA GLY A 21 15.392 3.767 6.981 1.00 0.00 C ATOM 273 C GLY A 21 15.621 4.850 5.950 1.00 0.00 C ATOM 274 O GLY A 21 15.652 6.029 6.280 1.00 0.00 O ATOM 0 H GLY A 21 13.700 3.909 8.155 1.00 0.00 H new ATOM 0 HA2 GLY A 21 15.898 4.027 7.911 1.00 0.00 H new ATOM 0 HA3 GLY A 21 15.823 2.828 6.635 1.00 0.00 H new ATOM 278 N ASP A 22 15.738 4.452 4.692 1.00 0.00 N ATOM 279 CA ASP A 22 16.159 5.298 3.576 1.00 0.00 C ATOM 280 C ASP A 22 15.211 5.118 2.381 1.00 0.00 C ATOM 281 O ASP A 22 15.616 5.147 1.217 1.00 0.00 O ATOM 282 CB ASP A 22 17.641 5.032 3.259 1.00 0.00 C ATOM 283 CG ASP A 22 18.508 6.121 3.892 1.00 0.00 C ATOM 284 OD1 ASP A 22 18.537 7.241 3.324 1.00 0.00 O ATOM 285 OD2 ASP A 22 19.080 5.861 4.977 1.00 0.00 O ATOM 0 H ASP A 22 15.535 3.494 4.405 1.00 0.00 H new ATOM 0 HA ASP A 22 16.089 6.352 3.844 1.00 0.00 H new ATOM 0 HB2 ASP A 22 17.934 4.054 3.640 1.00 0.00 H new ATOM 0 HB3 ASP A 22 17.794 5.013 2.180 1.00 0.00 H new ATOM 290 N PHE A 23 13.930 4.943 2.707 1.00 0.00 N ATOM 291 CA PHE A 23 12.779 4.596 1.875 1.00 0.00 C ATOM 292 C PHE A 23 12.667 5.339 0.544 1.00 0.00 C ATOM 293 O PHE A 23 12.004 4.787 -0.339 1.00 0.00 O ATOM 294 CB PHE A 23 11.501 4.827 2.700 1.00 0.00 C ATOM 295 CG PHE A 23 11.404 6.220 3.294 1.00 0.00 C ATOM 296 CD1 PHE A 23 11.159 7.338 2.466 1.00 0.00 C ATOM 297 CD2 PHE A 23 11.638 6.411 4.669 1.00 0.00 C ATOM 298 CE1 PHE A 23 11.246 8.635 2.990 1.00 0.00 C ATOM 299 CE2 PHE A 23 11.662 7.709 5.201 1.00 0.00 C ATOM 300 CZ PHE A 23 11.484 8.821 4.361 1.00 0.00 C ATOM 0 H PHE A 23 13.641 5.055 3.679 1.00 0.00 H new ATOM 0 HA PHE A 23 12.918 3.552 1.595 1.00 0.00 H new ATOM 0 HB2 PHE A 23 10.632 4.650 2.066 1.00 0.00 H new ATOM 0 HB3 PHE A 23 11.461 4.094 3.506 1.00 0.00 H new ATOM 0 HD1 PHE A 23 10.904 7.193 1.427 1.00 0.00 H new ATOM 0 HD2 PHE A 23 11.799 5.559 5.314 1.00 0.00 H new ATOM 0 HE1 PHE A 23 11.130 9.490 2.340 1.00 0.00 H new ATOM 0 HE2 PHE A 23 11.818 7.854 6.260 1.00 0.00 H new ATOM 0 HZ PHE A 23 11.530 9.819 4.770 1.00 0.00 H new ATOM 310 N ARG A 24 13.264 6.532 0.383 1.00 0.00 N ATOM 311 CA ARG A 24 13.211 7.366 -0.814 1.00 0.00 C ATOM 312 C ARG A 24 13.728 6.727 -2.115 1.00 0.00 C ATOM 313 O ARG A 24 13.783 7.428 -3.125 1.00 0.00 O ATOM 314 CB ARG A 24 13.953 8.681 -0.513 1.00 0.00 C ATOM 315 CG ARG A 24 13.118 9.726 0.234 1.00 0.00 C ATOM 316 CD ARG A 24 13.556 11.161 -0.070 1.00 0.00 C ATOM 317 NE ARG A 24 13.358 11.493 -1.497 1.00 0.00 N ATOM 318 CZ ARG A 24 12.915 12.615 -2.074 1.00 0.00 C ATOM 319 NH1 ARG A 24 12.592 13.696 -1.379 1.00 0.00 N ATOM 320 NH2 ARG A 24 12.785 12.631 -3.389 1.00 0.00 N ATOM 0 H ARG A 24 13.822 6.955 1.124 1.00 0.00 H new ATOM 0 HA ARG A 24 12.154 7.530 -1.024 1.00 0.00 H new ATOM 0 HB2 ARG A 24 14.841 8.455 0.077 1.00 0.00 H new ATOM 0 HB3 ARG A 24 14.296 9.113 -1.453 1.00 0.00 H new ATOM 0 HG2 ARG A 24 12.069 9.606 -0.035 1.00 0.00 H new ATOM 0 HG3 ARG A 24 13.194 9.547 1.306 1.00 0.00 H new ATOM 0 HD2 ARG A 24 12.988 11.856 0.549 1.00 0.00 H new ATOM 0 HD3 ARG A 24 14.607 11.286 0.192 1.00 0.00 H new ATOM 0 HE ARG A 24 13.598 10.745 -2.147 1.00 0.00 H new ATOM 0 HH11 ARG A 24 12.677 13.693 -0.363 1.00 0.00 H new ATOM 0 HH12 ARG A 24 12.258 14.531 -1.860 1.00 0.00 H new ATOM 0 HH21 ARG A 24 13.020 11.802 -3.935 1.00 0.00 H new ATOM 0 HH22 ARG A 24 12.449 13.472 -3.858 1.00 0.00 H new ATOM 334 N SER A 25 14.071 5.442 -2.159 1.00 0.00 N ATOM 335 CA SER A 25 14.392 4.754 -3.400 1.00 0.00 C ATOM 336 C SER A 25 13.518 3.515 -3.592 1.00 0.00 C ATOM 337 O SER A 25 14.017 2.400 -3.719 1.00 0.00 O ATOM 338 CB SER A 25 15.881 4.436 -3.449 1.00 0.00 C ATOM 339 OG SER A 25 16.659 5.613 -3.355 1.00 0.00 O ATOM 0 H SER A 25 14.133 4.850 -1.331 1.00 0.00 H new ATOM 0 HA SER A 25 14.169 5.413 -4.239 1.00 0.00 H new ATOM 0 HB2 SER A 25 16.138 3.761 -2.633 1.00 0.00 H new ATOM 0 HB3 SER A 25 16.114 3.916 -4.378 1.00 0.00 H new ATOM 0 HG SER A 25 17.610 5.380 -3.387 1.00 0.00 H new ATOM 345 N PHE A 26 12.200 3.689 -3.638 1.00 0.00 N ATOM 346 CA PHE A 26 11.239 2.666 -4.057 1.00 0.00 C ATOM 347 C PHE A 26 10.471 3.125 -5.300 1.00 0.00 C ATOM 348 O PHE A 26 9.521 3.902 -5.234 1.00 0.00 O ATOM 349 CB PHE A 26 10.293 2.295 -2.907 1.00 0.00 C ATOM 350 CG PHE A 26 10.766 1.129 -2.059 1.00 0.00 C ATOM 351 CD1 PHE A 26 11.952 1.220 -1.304 1.00 0.00 C ATOM 352 CD2 PHE A 26 9.997 -0.049 -2.003 1.00 0.00 C ATOM 353 CE1 PHE A 26 12.337 0.154 -0.475 1.00 0.00 C ATOM 354 CE2 PHE A 26 10.397 -1.118 -1.187 1.00 0.00 C ATOM 355 CZ PHE A 26 11.556 -1.006 -0.406 1.00 0.00 C ATOM 0 H PHE A 26 11.756 4.570 -3.378 1.00 0.00 H new ATOM 0 HA PHE A 26 11.790 1.764 -4.324 1.00 0.00 H new ATOM 0 HB2 PHE A 26 10.162 3.166 -2.265 1.00 0.00 H new ATOM 0 HB3 PHE A 26 9.314 2.054 -3.321 1.00 0.00 H new ATOM 0 HD1 PHE A 26 12.564 2.108 -1.363 1.00 0.00 H new ATOM 0 HD2 PHE A 26 9.095 -0.130 -2.591 1.00 0.00 H new ATOM 0 HE1 PHE A 26 13.240 0.229 0.112 1.00 0.00 H new ATOM 0 HE2 PHE A 26 9.813 -2.026 -1.161 1.00 0.00 H new ATOM 0 HZ PHE A 26 11.846 -1.814 0.249 1.00 0.00 H new ATOM 365 N ILE A 27 10.884 2.633 -6.464 1.00 0.00 N ATOM 366 CA ILE A 27 10.397 3.063 -7.773 1.00 0.00 C ATOM 367 C ILE A 27 9.008 2.479 -8.092 1.00 0.00 C ATOM 368 O ILE A 27 8.895 1.529 -8.869 1.00 0.00 O ATOM 369 CB ILE A 27 11.533 2.725 -8.781 1.00 0.00 C ATOM 370 CG1 ILE A 27 12.696 3.722 -8.578 1.00 0.00 C ATOM 371 CG2 ILE A 27 11.218 2.664 -10.282 1.00 0.00 C ATOM 372 CD1 ILE A 27 12.409 5.120 -9.153 1.00 0.00 C ATOM 0 H ILE A 27 11.590 1.900 -6.525 1.00 0.00 H new ATOM 0 HA ILE A 27 10.203 4.134 -7.822 1.00 0.00 H new ATOM 0 HB ILE A 27 11.763 1.689 -8.531 1.00 0.00 H new ATOM 0 HG12 ILE A 27 12.906 3.812 -7.512 1.00 0.00 H new ATOM 0 HG13 ILE A 27 13.594 3.321 -9.048 1.00 0.00 H new ATOM 0 HG21 ILE A 27 12.125 2.416 -10.834 1.00 0.00 H new ATOM 0 HG22 ILE A 27 10.462 1.900 -10.464 1.00 0.00 H new ATOM 0 HG23 ILE A 27 10.844 3.632 -10.615 1.00 0.00 H new ATOM 0 HD11 ILE A 27 13.266 5.769 -8.976 1.00 0.00 H new ATOM 0 HD12 ILE A 27 12.228 5.042 -10.225 1.00 0.00 H new ATOM 0 HD13 ILE A 27 11.529 5.540 -8.666 1.00 0.00 H new ATOM 384 N LYS A 28 7.917 3.038 -7.539 1.00 0.00 N ATOM 385 CA LYS A 28 6.577 2.733 -8.046 1.00 0.00 C ATOM 386 C LYS A 28 5.521 3.787 -7.756 1.00 0.00 C ATOM 387 O LYS A 28 5.696 4.665 -6.916 1.00 0.00 O ATOM 388 CB LYS A 28 6.093 1.369 -7.508 1.00 0.00 C ATOM 389 CG LYS A 28 5.311 0.487 -8.504 1.00 0.00 C ATOM 390 CD LYS A 28 6.052 0.149 -9.811 1.00 0.00 C ATOM 391 CE LYS A 28 5.111 -0.353 -10.904 1.00 0.00 C ATOM 392 NZ LYS A 28 4.800 -1.785 -10.821 1.00 0.00 N ATOM 0 H LYS A 28 7.939 3.691 -6.756 1.00 0.00 H new ATOM 0 HA LYS A 28 6.691 2.711 -9.130 1.00 0.00 H new ATOM 0 HB2 LYS A 28 6.961 0.809 -7.162 1.00 0.00 H new ATOM 0 HB3 LYS A 28 5.461 1.548 -6.638 1.00 0.00 H new ATOM 0 HG2 LYS A 28 5.045 -0.445 -8.006 1.00 0.00 H new ATOM 0 HG3 LYS A 28 4.378 0.992 -8.755 1.00 0.00 H new ATOM 0 HD2 LYS A 28 6.577 1.036 -10.167 1.00 0.00 H new ATOM 0 HD3 LYS A 28 6.808 -0.610 -9.610 1.00 0.00 H new ATOM 0 HE2 LYS A 28 4.181 0.213 -10.854 1.00 0.00 H new ATOM 0 HE3 LYS A 28 5.558 -0.146 -11.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 4.157 -2.046 -11.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 5.679 -2.336 -10.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 4.343 -1.989 -9.909 1.00 0.00 H new ATOM 406 N SER A 29 4.384 3.623 -8.423 1.00 0.00 N ATOM 407 CA SER A 29 3.104 4.229 -8.105 1.00 0.00 C ATOM 408 C SER A 29 2.367 3.331 -7.124 1.00 0.00 C ATOM 409 O SER A 29 2.041 2.189 -7.463 1.00 0.00 O ATOM 410 CB SER A 29 2.240 4.332 -9.362 1.00 0.00 C ATOM 411 OG SER A 29 2.800 5.189 -10.338 1.00 0.00 O ATOM 0 H SER A 29 4.332 3.027 -9.249 1.00 0.00 H new ATOM 0 HA SER A 29 3.281 5.220 -7.688 1.00 0.00 H new ATOM 0 HB2 SER A 29 2.107 3.338 -9.790 1.00 0.00 H new ATOM 0 HB3 SER A 29 1.250 4.696 -9.089 1.00 0.00 H new ATOM 0 HG SER A 29 2.212 5.220 -11.122 1.00 0.00 H new ATOM 417 N VAL A 30 2.057 3.848 -5.943 1.00 0.00 N ATOM 418 CA VAL A 30 1.058 3.260 -5.080 1.00 0.00 C ATOM 419 C VAL A 30 -0.298 3.652 -5.667 1.00 0.00 C ATOM 420 O VAL A 30 -0.779 4.766 -5.484 1.00 0.00 O ATOM 421 CB VAL A 30 1.259 3.703 -3.616 1.00 0.00 C ATOM 422 CG1 VAL A 30 0.282 2.981 -2.679 1.00 0.00 C ATOM 423 CG2 VAL A 30 2.677 3.362 -3.141 1.00 0.00 C ATOM 0 H VAL A 30 2.494 4.687 -5.562 1.00 0.00 H new ATOM 0 HA VAL A 30 1.133 2.173 -5.043 1.00 0.00 H new ATOM 0 HB VAL A 30 1.086 4.779 -3.585 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.448 3.314 -1.654 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.742 3.210 -2.974 1.00 0.00 H new ATOM 0 HG13 VAL A 30 0.445 1.905 -2.742 1.00 0.00 H new ATOM 0 HG21 VAL A 30 2.801 3.682 -2.106 1.00 0.00 H new ATOM 0 HG22 VAL A 30 2.835 2.286 -3.210 1.00 0.00 H new ATOM 0 HG23 VAL A 30 3.405 3.876 -3.769 1.00 0.00 H new ATOM 433 N VAL A 31 -0.925 2.731 -6.392 1.00 0.00 N ATOM 434 CA VAL A 31 -2.365 2.559 -6.285 1.00 0.00 C ATOM 435 C VAL A 31 -2.806 2.507 -4.850 1.00 0.00 C ATOM 436 O VAL A 31 -2.566 1.515 -4.158 1.00 0.00 O ATOM 437 CB VAL A 31 -2.877 1.392 -7.146 1.00 0.00 C ATOM 438 CG1 VAL A 31 -1.962 0.152 -7.103 1.00 0.00 C ATOM 439 CG2 VAL A 31 -4.278 0.874 -6.767 1.00 0.00 C ATOM 0 H VAL A 31 -0.465 2.102 -7.050 1.00 0.00 H new ATOM 0 HA VAL A 31 -2.842 3.444 -6.707 1.00 0.00 H new ATOM 0 HB VAL A 31 -2.898 1.846 -8.137 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -2.383 -0.633 -7.732 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -0.971 0.418 -7.469 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -1.885 -0.208 -6.077 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -4.553 0.052 -7.428 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -4.269 0.522 -5.735 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -5.004 1.681 -6.869 1.00 0.00 H new ATOM 449 N VAL A 32 -3.535 3.540 -4.453 1.00 0.00 N ATOM 450 CA VAL A 32 -4.531 3.395 -3.438 1.00 0.00 C ATOM 451 C VAL A 32 -5.627 4.451 -3.597 1.00 0.00 C ATOM 452 O VAL A 32 -5.400 5.617 -3.279 1.00 0.00 O ATOM 453 CB VAL A 32 -3.828 3.480 -2.061 1.00 0.00 C ATOM 454 CG1 VAL A 32 -2.871 4.676 -1.875 1.00 0.00 C ATOM 455 CG2 VAL A 32 -4.822 3.466 -0.893 1.00 0.00 C ATOM 0 H VAL A 32 -3.444 4.484 -4.828 1.00 0.00 H new ATOM 0 HA VAL A 32 -5.027 2.428 -3.524 1.00 0.00 H new ATOM 0 HB VAL A 32 -3.217 2.578 -2.052 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -2.433 4.640 -0.878 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -2.078 4.627 -2.621 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -3.425 5.607 -1.994 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -4.277 3.528 0.049 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -5.496 4.318 -0.979 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -5.400 2.542 -0.918 1.00 0.00 H new ATOM 465 N VAL A 33 -6.833 4.082 -4.032 1.00 0.00 N ATOM 466 CA VAL A 33 -7.962 4.988 -3.858 1.00 0.00 C ATOM 467 C VAL A 33 -9.251 4.174 -3.737 1.00 0.00 C ATOM 468 O VAL A 33 -9.225 2.945 -3.597 1.00 0.00 O ATOM 469 CB VAL A 33 -7.953 6.089 -4.955 1.00 0.00 C ATOM 470 CG1 VAL A 33 -8.631 5.707 -6.278 1.00 0.00 C ATOM 471 CG2 VAL A 33 -8.510 7.415 -4.412 1.00 0.00 C ATOM 0 H VAL A 33 -7.047 3.196 -4.490 1.00 0.00 H new ATOM 0 HA VAL A 33 -7.884 5.545 -2.924 1.00 0.00 H new ATOM 0 HB VAL A 33 -6.901 6.212 -5.211 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -8.569 6.544 -6.973 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -8.128 4.841 -6.708 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -9.678 5.465 -6.094 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -8.492 8.167 -5.201 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -9.536 7.268 -4.074 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -7.898 7.752 -3.575 1.00 0.00 H new ATOM 481 N ALA A 34 -10.385 4.868 -3.750 1.00 0.00 N ATOM 482 CA ALA A 34 -11.696 4.315 -3.971 1.00 0.00 C ATOM 483 C ALA A 34 -12.233 4.945 -5.242 1.00 0.00 C ATOM 484 O ALA A 34 -12.553 6.131 -5.246 1.00 0.00 O ATOM 485 CB ALA A 34 -12.597 4.676 -2.800 1.00 0.00 C ATOM 0 H ALA A 34 -10.404 5.877 -3.599 1.00 0.00 H new ATOM 0 HA ALA A 34 -11.658 3.229 -4.060 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -13.591 4.259 -2.964 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -12.179 4.268 -1.880 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -12.668 5.760 -2.716 1.00 0.00 H new ATOM 491 N ASN A 35 -12.374 4.142 -6.294 1.00 0.00 N ATOM 492 CA ASN A 35 -13.028 4.511 -7.552 1.00 0.00 C ATOM 493 C ASN A 35 -14.557 4.621 -7.399 1.00 0.00 C ATOM 494 O ASN A 35 -15.323 4.015 -8.143 1.00 0.00 O ATOM 495 CB ASN A 35 -12.578 3.506 -8.622 1.00 0.00 C ATOM 496 CG ASN A 35 -11.496 4.134 -9.495 1.00 0.00 C ATOM 497 OD1 ASN A 35 -11.773 5.072 -10.233 1.00 0.00 O ATOM 498 ND2 ASN A 35 -10.252 3.689 -9.421 1.00 0.00 N ATOM 0 H ASN A 35 -12.025 3.184 -6.297 1.00 0.00 H new ATOM 0 HA ASN A 35 -12.725 5.510 -7.864 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -12.197 2.602 -8.148 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -13.428 3.210 -9.237 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -9.520 4.127 -9.980 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -10.026 2.908 -8.805 1.00 0.00 H new ATOM 505 N GLY A 36 -15.001 5.318 -6.354 1.00 0.00 N ATOM 506 CA GLY A 36 -16.389 5.618 -6.049 1.00 0.00 C ATOM 507 C GLY A 36 -16.634 6.274 -4.689 1.00 0.00 C ATOM 508 O GLY A 36 -17.783 6.615 -4.414 1.00 0.00 O ATOM 0 H GLY A 36 -14.361 5.708 -5.662 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -16.781 6.274 -6.826 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -16.962 4.692 -6.095 1.00 0.00 H new ATOM 512 N THR A 37 -15.634 6.489 -3.826 1.00 0.00 N ATOM 513 CA THR A 37 -15.825 7.294 -2.617 1.00 0.00 C ATOM 514 C THR A 37 -14.613 8.200 -2.418 1.00 0.00 C ATOM 515 O THR A 37 -13.585 8.001 -3.071 1.00 0.00 O ATOM 516 CB THR A 37 -16.165 6.417 -1.393 1.00 0.00 C ATOM 517 OG1 THR A 37 -16.745 7.197 -0.374 1.00 0.00 O ATOM 518 CG2 THR A 37 -14.969 5.683 -0.770 1.00 0.00 C ATOM 0 H THR A 37 -14.691 6.119 -3.942 1.00 0.00 H new ATOM 0 HA THR A 37 -16.694 7.941 -2.738 1.00 0.00 H new ATOM 0 HB THR A 37 -16.850 5.666 -1.786 1.00 0.00 H new ATOM 0 HG1 THR A 37 -17.694 6.967 -0.286 1.00 0.00 H new ATOM 0 HG21 THR A 37 -15.307 5.094 0.082 1.00 0.00 H new ATOM 0 HG22 THR A 37 -14.520 5.023 -1.512 1.00 0.00 H new ATOM 0 HG23 THR A 37 -14.229 6.411 -0.437 1.00 0.00 H new ATOM 526 N GLN A 38 -14.716 9.163 -1.505 1.00 0.00 N ATOM 527 CA GLN A 38 -13.582 9.953 -1.059 1.00 0.00 C ATOM 528 C GLN A 38 -12.750 9.130 -0.091 1.00 0.00 C ATOM 529 O GLN A 38 -13.262 8.245 0.609 1.00 0.00 O ATOM 530 CB GLN A 38 -14.098 11.261 -0.425 1.00 0.00 C ATOM 531 CG GLN A 38 -14.518 12.237 -1.536 1.00 0.00 C ATOM 532 CD GLN A 38 -15.667 13.182 -1.180 1.00 0.00 C ATOM 533 OE1 GLN A 38 -16.755 12.775 -0.774 1.00 0.00 O ATOM 534 NE2 GLN A 38 -15.490 14.482 -1.369 1.00 0.00 N ATOM 0 H GLN A 38 -15.596 9.415 -1.054 1.00 0.00 H new ATOM 0 HA GLN A 38 -12.940 10.222 -1.898 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -14.944 11.052 0.229 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -13.321 11.710 0.193 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -13.652 12.836 -1.817 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -14.804 11.659 -2.415 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -14.592 14.831 -1.705 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -16.251 15.133 -1.178 1.00 0.00 H new ATOM 543 N LEU A 39 -11.461 9.439 -0.045 1.00 0.00 N ATOM 544 CA LEU A 39 -10.510 8.757 0.814 1.00 0.00 C ATOM 545 C LEU A 39 -9.875 9.737 1.776 1.00 0.00 C ATOM 546 O LEU A 39 -9.819 10.928 1.484 1.00 0.00 O ATOM 547 CB LEU A 39 -9.426 8.072 -0.027 1.00 0.00 C ATOM 548 CG LEU A 39 -9.182 6.650 0.495 1.00 0.00 C ATOM 549 CD1 LEU A 39 -9.812 5.660 -0.473 1.00 0.00 C ATOM 550 CD2 LEU A 39 -7.713 6.374 0.762 1.00 0.00 C ATOM 0 H LEU A 39 -11.045 10.179 -0.610 1.00 0.00 H new ATOM 0 HA LEU A 39 -11.044 7.997 1.385 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -9.732 8.038 -1.073 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.502 8.648 0.016 1.00 0.00 H new ATOM 0 HG LEU A 39 -9.661 6.536 1.467 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -9.646 4.644 -0.114 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -10.883 5.850 -0.542 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -9.359 5.775 -1.458 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -7.595 5.355 1.130 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -7.146 6.495 -0.161 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -7.341 7.075 1.510 1.00 0.00 H new ATOM 562 N LYS A 40 -9.380 9.221 2.898 1.00 0.00 N ATOM 563 CA LYS A 40 -8.820 10.028 3.960 1.00 0.00 C ATOM 564 C LYS A 40 -7.311 9.879 3.985 1.00 0.00 C ATOM 565 O LYS A 40 -6.819 8.746 3.969 1.00 0.00 O ATOM 566 CB LYS A 40 -9.478 9.617 5.278 1.00 0.00 C ATOM 567 CG LYS A 40 -9.015 10.461 6.468 1.00 0.00 C ATOM 568 CD LYS A 40 -9.575 9.962 7.805 1.00 0.00 C ATOM 569 CE LYS A 40 -9.012 8.580 8.140 1.00 0.00 C ATOM 570 NZ LYS A 40 -9.040 8.296 9.586 1.00 0.00 N ATOM 0 H LYS A 40 -9.360 8.219 3.090 1.00 0.00 H new ATOM 0 HA LYS A 40 -9.023 11.086 3.795 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -10.560 9.702 5.179 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -9.257 8.568 5.476 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -7.926 10.454 6.510 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -9.321 11.496 6.315 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -9.322 10.666 8.598 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -10.663 9.916 7.756 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -9.587 7.819 7.612 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -7.986 8.512 7.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -8.648 7.349 9.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -8.470 9.005 10.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -10.021 8.334 9.928 1.00 0.00 H new ATOM 584 N ASP A 41 -6.603 11.007 4.052 1.00 0.00 N ATOM 585 CA ASP A 41 -5.174 11.036 4.325 1.00 0.00 C ATOM 586 C ASP A 41 -4.979 11.013 5.832 1.00 0.00 C ATOM 587 O ASP A 41 -5.489 11.886 6.542 1.00 0.00 O ATOM 588 CB ASP A 41 -4.469 12.261 3.728 1.00 0.00 C ATOM 589 CG ASP A 41 -2.963 11.982 3.581 1.00 0.00 C ATOM 590 OD1 ASP A 41 -2.340 11.575 4.590 1.00 0.00 O ATOM 591 OD2 ASP A 41 -2.433 12.136 2.454 1.00 0.00 O ATOM 0 H ASP A 41 -7.013 11.931 3.917 1.00 0.00 H new ATOM 0 HA ASP A 41 -4.724 10.164 3.851 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -4.899 12.501 2.756 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -4.626 13.129 4.368 1.00 0.00 H new ATOM 596 N GLY A 42 -4.234 10.032 6.331 1.00 0.00 N ATOM 597 CA GLY A 42 -3.897 9.912 7.737 1.00 0.00 C ATOM 598 C GLY A 42 -3.003 11.042 8.263 1.00 0.00 C ATOM 599 O GLY A 42 -2.703 11.036 9.458 1.00 0.00 O ATOM 0 H GLY A 42 -3.842 9.287 5.755 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -4.818 9.890 8.320 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -3.394 8.959 7.899 1.00 0.00 H new ATOM 603 N ALA A 43 -2.574 12.008 7.437 1.00 0.00 N ATOM 604 CA ALA A 43 -1.807 13.173 7.847 1.00 0.00 C ATOM 605 C ALA A 43 -2.528 13.895 8.980 1.00 0.00 C ATOM 606 O ALA A 43 -1.944 14.160 10.032 1.00 0.00 O ATOM 607 CB ALA A 43 -1.626 14.113 6.644 1.00 0.00 C ATOM 0 H ALA A 43 -2.762 11.991 6.435 1.00 0.00 H new ATOM 0 HA ALA A 43 -0.827 12.858 8.204 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -1.051 14.987 6.949 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -1.095 13.589 5.849 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -2.603 14.430 6.280 1.00 0.00 H new ATOM 613 N THR A 44 -3.802 14.197 8.754 1.00 0.00 N ATOM 614 CA THR A 44 -4.664 15.034 9.583 1.00 0.00 C ATOM 615 C THR A 44 -6.101 14.496 9.615 1.00 0.00 C ATOM 616 O THR A 44 -6.934 14.975 10.392 1.00 0.00 O ATOM 617 CB THR A 44 -4.622 16.453 8.995 1.00 0.00 C ATOM 618 OG1 THR A 44 -4.861 16.377 7.600 1.00 0.00 O ATOM 619 CG2 THR A 44 -3.245 17.080 9.214 1.00 0.00 C ATOM 0 H THR A 44 -4.292 13.841 7.934 1.00 0.00 H new ATOM 0 HA THR A 44 -4.311 15.035 10.614 1.00 0.00 H new ATOM 0 HB THR A 44 -5.380 17.062 9.488 1.00 0.00 H new ATOM 0 HG1 THR A 44 -4.838 17.278 7.215 1.00 0.00 H new ATOM 0 HG21 THR A 44 -3.231 18.085 8.792 1.00 0.00 H new ATOM 0 HG22 THR A 44 -3.035 17.132 10.282 1.00 0.00 H new ATOM 0 HG23 THR A 44 -2.486 16.470 8.724 1.00 0.00 H new ATOM 627 N GLY A 45 -6.398 13.487 8.792 1.00 0.00 N ATOM 628 CA GLY A 45 -7.733 12.999 8.533 1.00 0.00 C ATOM 629 C GLY A 45 -8.490 13.911 7.569 1.00 0.00 C ATOM 630 O GLY A 45 -9.718 13.991 7.653 1.00 0.00 O ATOM 0 H GLY A 45 -5.682 12.977 8.275 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -7.678 11.993 8.116 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -8.282 12.925 9.472 1.00 0.00 H new ATOM 634 N GLU A 46 -7.799 14.607 6.657 1.00 0.00 N ATOM 635 CA GLU A 46 -8.477 15.292 5.563 1.00 0.00 C ATOM 636 C GLU A 46 -9.045 14.231 4.632 1.00 0.00 C ATOM 637 O GLU A 46 -8.443 13.171 4.454 1.00 0.00 O ATOM 638 CB GLU A 46 -7.531 16.204 4.784 1.00 0.00 C ATOM 639 CG GLU A 46 -7.147 17.487 5.546 1.00 0.00 C ATOM 640 CD GLU A 46 -7.960 18.706 5.095 1.00 0.00 C ATOM 641 OE1 GLU A 46 -7.920 19.058 3.893 1.00 0.00 O ATOM 642 OE2 GLU A 46 -8.678 19.303 5.927 1.00 0.00 O ATOM 0 H GLU A 46 -6.784 14.707 6.659 1.00 0.00 H new ATOM 0 HA GLU A 46 -9.264 15.923 5.974 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -6.624 15.650 4.541 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -8.000 16.479 3.839 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -7.297 17.330 6.614 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -6.086 17.688 5.400 1.00 0.00 H new ATOM 649 N SER A 47 -10.180 14.549 4.030 1.00 0.00 N ATOM 650 CA SER A 47 -10.887 13.723 3.066 1.00 0.00 C ATOM 651 C SER A 47 -10.694 14.366 1.697 1.00 0.00 C ATOM 652 O SER A 47 -10.688 15.594 1.570 1.00 0.00 O ATOM 653 CB SER A 47 -12.361 13.602 3.469 1.00 0.00 C ATOM 654 OG SER A 47 -13.080 12.755 2.601 1.00 0.00 O ATOM 0 H SER A 47 -10.656 15.433 4.210 1.00 0.00 H new ATOM 0 HA SER A 47 -10.498 12.705 3.034 1.00 0.00 H new ATOM 0 HB2 SER A 47 -12.428 13.218 4.487 1.00 0.00 H new ATOM 0 HB3 SER A 47 -12.818 14.591 3.471 1.00 0.00 H new ATOM 0 HG SER A 47 -14.038 12.827 2.793 1.00 0.00 H new ATOM 660 N LEU A 48 -10.499 13.538 0.675 1.00 0.00 N ATOM 661 CA LEU A 48 -9.941 13.914 -0.615 1.00 0.00 C ATOM 662 C LEU A 48 -10.740 13.219 -1.705 1.00 0.00 C ATOM 663 O LEU A 48 -11.106 12.044 -1.563 1.00 0.00 O ATOM 664 CB LEU A 48 -8.465 13.481 -0.676 1.00 0.00 C ATOM 665 CG LEU A 48 -7.571 14.241 0.321 1.00 0.00 C ATOM 666 CD1 LEU A 48 -6.245 13.508 0.515 1.00 0.00 C ATOM 667 CD2 LEU A 48 -7.304 15.686 -0.105 1.00 0.00 C ATOM 0 H LEU A 48 -10.736 12.547 0.728 1.00 0.00 H new ATOM 0 HA LEU A 48 -9.995 14.994 -0.756 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -8.397 12.412 -0.474 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -8.088 13.639 -1.686 1.00 0.00 H new ATOM 0 HG LEU A 48 -8.116 14.275 1.264 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -5.625 14.059 1.223 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -6.436 12.507 0.902 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -5.727 13.435 -0.441 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -6.669 16.172 0.635 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -6.804 15.693 -1.073 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -8.249 16.223 -0.181 1.00 0.00 H new ATOM 679 N ALA A 49 -10.995 13.953 -2.787 1.00 0.00 N ATOM 680 CA ALA A 49 -11.678 13.473 -3.983 1.00 0.00 C ATOM 681 C ALA A 49 -10.840 12.403 -4.684 1.00 0.00 C ATOM 682 O ALA A 49 -9.677 12.177 -4.344 1.00 0.00 O ATOM 683 CB ALA A 49 -11.986 14.650 -4.913 1.00 0.00 C ATOM 0 H ALA A 49 -10.721 14.933 -2.855 1.00 0.00 H new ATOM 0 HA ALA A 49 -12.623 13.011 -3.698 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -12.496 14.285 -5.805 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -12.626 15.365 -4.396 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -11.055 15.139 -5.202 1.00 0.00 H new ATOM 689 N SER A 50 -11.436 11.717 -5.654 1.00 0.00 N ATOM 690 CA SER A 50 -10.897 10.493 -6.230 1.00 0.00 C ATOM 691 C SER A 50 -11.195 10.413 -7.735 1.00 0.00 C ATOM 692 O SER A 50 -12.152 11.049 -8.191 1.00 0.00 O ATOM 693 CB SER A 50 -11.478 9.296 -5.458 1.00 0.00 C ATOM 694 OG SER A 50 -12.860 9.435 -5.180 1.00 0.00 O ATOM 0 H SER A 50 -12.323 12.003 -6.068 1.00 0.00 H new ATOM 0 HA SER A 50 -9.811 10.481 -6.135 1.00 0.00 H new ATOM 0 HB2 SER A 50 -11.319 8.386 -6.036 1.00 0.00 H new ATOM 0 HB3 SER A 50 -10.935 9.177 -4.521 1.00 0.00 H new ATOM 0 HG SER A 50 -13.071 8.984 -4.336 1.00 0.00 H new ATOM 700 N PRO A 51 -10.440 9.608 -8.511 1.00 0.00 N ATOM 701 CA PRO A 51 -9.272 8.829 -8.097 1.00 0.00 C ATOM 702 C PRO A 51 -8.057 9.711 -7.772 1.00 0.00 C ATOM 703 O PRO A 51 -8.060 10.913 -8.038 1.00 0.00 O ATOM 704 CB PRO A 51 -8.989 7.879 -9.269 1.00 0.00 C ATOM 705 CG PRO A 51 -9.476 8.670 -10.475 1.00 0.00 C ATOM 706 CD PRO A 51 -10.703 9.385 -9.923 1.00 0.00 C ATOM 0 HA PRO A 51 -9.469 8.288 -7.171 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -7.929 7.637 -9.346 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -9.524 6.935 -9.162 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -8.723 9.372 -10.831 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -9.727 8.020 -11.313 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -10.870 10.329 -10.442 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -11.600 8.782 -10.062 1.00 0.00 H new ATOM 714 N VAL A 52 -7.034 9.103 -7.173 1.00 0.00 N ATOM 715 CA VAL A 52 -5.729 9.658 -6.830 1.00 0.00 C ATOM 716 C VAL A 52 -4.771 8.488 -7.057 1.00 0.00 C ATOM 717 O VAL A 52 -5.136 7.354 -6.735 1.00 0.00 O ATOM 718 CB VAL A 52 -5.710 10.118 -5.349 1.00 0.00 C ATOM 719 CG1 VAL A 52 -4.312 10.529 -4.860 1.00 0.00 C ATOM 720 CG2 VAL A 52 -6.660 11.299 -5.116 1.00 0.00 C ATOM 0 H VAL A 52 -7.105 8.125 -6.892 1.00 0.00 H new ATOM 0 HA VAL A 52 -5.465 10.535 -7.420 1.00 0.00 H new ATOM 0 HB VAL A 52 -6.036 9.248 -4.780 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -4.368 10.840 -3.817 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -3.632 9.682 -4.950 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -3.943 11.357 -5.466 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -6.622 11.596 -4.068 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -6.357 12.138 -5.742 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -7.677 11.004 -5.372 1.00 0.00 H new ATOM 730 N ILE A 53 -3.586 8.708 -7.635 1.00 0.00 N ATOM 731 CA ILE A 53 -2.567 7.673 -7.823 1.00 0.00 C ATOM 732 C ILE A 53 -1.212 8.334 -7.541 1.00 0.00 C ATOM 733 O ILE A 53 -0.818 9.259 -8.259 1.00 0.00 O ATOM 734 CB ILE A 53 -2.670 7.013 -9.220 1.00 0.00 C ATOM 735 CG1 ILE A 53 -4.067 6.403 -9.501 1.00 0.00 C ATOM 736 CG2 ILE A 53 -1.615 5.898 -9.339 1.00 0.00 C ATOM 737 CD1 ILE A 53 -4.366 6.166 -10.976 1.00 0.00 C ATOM 0 H ILE A 53 -3.305 9.622 -7.990 1.00 0.00 H new ATOM 0 HA ILE A 53 -2.709 6.841 -7.133 1.00 0.00 H new ATOM 0 HB ILE A 53 -2.500 7.801 -9.953 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -4.150 5.455 -8.969 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -4.829 7.066 -9.091 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -1.687 5.433 -10.322 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -0.620 6.324 -9.211 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.791 5.147 -8.569 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -5.363 5.738 -11.081 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -4.319 7.113 -11.513 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -3.630 5.477 -11.390 1.00 0.00 H new ATOM 749 N LEU A 54 -0.540 7.931 -6.457 1.00 0.00 N ATOM 750 CA LEU A 54 0.785 8.426 -6.083 1.00 0.00 C ATOM 751 C LEU A 54 1.826 7.937 -7.103 1.00 0.00 C ATOM 752 O LEU A 54 1.553 7.037 -7.900 1.00 0.00 O ATOM 753 CB LEU A 54 1.169 7.935 -4.670 1.00 0.00 C ATOM 754 CG LEU A 54 0.348 8.431 -3.460 1.00 0.00 C ATOM 755 CD1 LEU A 54 0.111 9.945 -3.466 1.00 0.00 C ATOM 756 CD2 LEU A 54 -1.002 7.732 -3.307 1.00 0.00 C ATOM 0 H LEU A 54 -0.910 7.239 -5.805 1.00 0.00 H new ATOM 0 HA LEU A 54 0.762 9.516 -6.078 1.00 0.00 H new ATOM 0 HB2 LEU A 54 1.123 6.846 -4.676 1.00 0.00 H new ATOM 0 HB3 LEU A 54 2.210 8.209 -4.497 1.00 0.00 H new ATOM 0 HG LEU A 54 0.976 8.172 -2.608 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -0.472 10.226 -2.589 1.00 0.00 H new ATOM 0 HD12 LEU A 54 1.070 10.463 -3.446 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -0.434 10.224 -4.368 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -1.522 8.132 -2.437 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -1.604 7.903 -4.200 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.845 6.661 -3.176 1.00 0.00 H new ATOM 768 N SER A 55 3.041 8.486 -7.042 1.00 0.00 N ATOM 769 CA SER A 55 4.193 8.034 -7.812 1.00 0.00 C ATOM 770 C SER A 55 5.430 7.950 -6.923 1.00 0.00 C ATOM 771 O SER A 55 5.348 8.195 -5.717 1.00 0.00 O ATOM 772 CB SER A 55 4.396 8.950 -9.015 1.00 0.00 C ATOM 773 OG SER A 55 4.764 10.260 -8.636 1.00 0.00 O ATOM 0 H SER A 55 3.253 9.280 -6.437 1.00 0.00 H new ATOM 0 HA SER A 55 4.013 7.028 -8.191 1.00 0.00 H new ATOM 0 HB2 SER A 55 5.167 8.531 -9.662 1.00 0.00 H new ATOM 0 HB3 SER A 55 3.476 8.988 -9.599 1.00 0.00 H new ATOM 0 HG SER A 55 4.885 10.811 -9.438 1.00 0.00 H new ATOM 779 N ASP A 56 6.576 7.592 -7.501 1.00 0.00 N ATOM 780 CA ASP A 56 7.870 7.561 -6.831 1.00 0.00 C ATOM 781 C ASP A 56 8.183 8.886 -6.161 1.00 0.00 C ATOM 782 O ASP A 56 8.632 8.915 -5.019 1.00 0.00 O ATOM 783 CB ASP A 56 8.981 7.245 -7.832 1.00 0.00 C ATOM 784 CG ASP A 56 8.844 7.900 -9.206 1.00 0.00 C ATOM 785 OD1 ASP A 56 8.918 9.141 -9.330 1.00 0.00 O ATOM 786 OD2 ASP A 56 8.562 7.150 -10.166 1.00 0.00 O ATOM 0 H ASP A 56 6.628 7.307 -8.479 1.00 0.00 H new ATOM 0 HA ASP A 56 7.819 6.783 -6.069 1.00 0.00 H new ATOM 0 HB2 ASP A 56 9.933 7.551 -7.398 1.00 0.00 H new ATOM 0 HB3 ASP A 56 9.025 6.164 -7.968 1.00 0.00 H new ATOM 791 N GLU A 57 7.888 9.987 -6.837 1.00 0.00 N ATOM 792 CA GLU A 57 8.101 11.314 -6.273 1.00 0.00 C ATOM 793 C GLU A 57 7.286 11.549 -5.002 1.00 0.00 C ATOM 794 O GLU A 57 7.672 12.396 -4.197 1.00 0.00 O ATOM 795 CB GLU A 57 7.745 12.433 -7.259 1.00 0.00 C ATOM 796 CG GLU A 57 8.926 12.881 -8.134 1.00 0.00 C ATOM 797 CD GLU A 57 8.890 14.386 -8.464 1.00 0.00 C ATOM 798 OE1 GLU A 57 7.795 15.002 -8.497 1.00 0.00 O ATOM 799 OE2 GLU A 57 9.974 14.964 -8.705 1.00 0.00 O ATOM 0 H GLU A 57 7.499 9.988 -7.780 1.00 0.00 H new ATOM 0 HA GLU A 57 9.166 11.345 -6.042 1.00 0.00 H new ATOM 0 HB2 GLU A 57 6.934 12.093 -7.904 1.00 0.00 H new ATOM 0 HB3 GLU A 57 7.371 13.292 -6.701 1.00 0.00 H new ATOM 0 HG2 GLU A 57 9.860 12.649 -7.622 1.00 0.00 H new ATOM 0 HG3 GLU A 57 8.921 12.310 -9.063 1.00 0.00 H new ATOM 806 N GLU A 58 6.174 10.842 -4.811 1.00 0.00 N ATOM 807 CA GLU A 58 5.382 10.939 -3.593 1.00 0.00 C ATOM 808 C GLU A 58 5.838 9.907 -2.558 1.00 0.00 C ATOM 809 O GLU A 58 5.488 10.027 -1.384 1.00 0.00 O ATOM 810 CB GLU A 58 3.888 10.807 -3.936 1.00 0.00 C ATOM 811 CG GLU A 58 3.309 12.123 -4.475 1.00 0.00 C ATOM 812 CD GLU A 58 2.968 13.122 -3.362 1.00 0.00 C ATOM 813 OE1 GLU A 58 3.873 13.552 -2.610 1.00 0.00 O ATOM 814 OE2 GLU A 58 1.771 13.480 -3.232 1.00 0.00 O ATOM 0 H GLU A 58 5.799 10.187 -5.497 1.00 0.00 H new ATOM 0 HA GLU A 58 5.535 11.918 -3.139 1.00 0.00 H new ATOM 0 HB2 GLU A 58 3.753 10.020 -4.678 1.00 0.00 H new ATOM 0 HB3 GLU A 58 3.336 10.504 -3.046 1.00 0.00 H new ATOM 0 HG2 GLU A 58 4.027 12.578 -5.158 1.00 0.00 H new ATOM 0 HG3 GLU A 58 2.410 11.909 -5.053 1.00 0.00 H new ATOM 821 N LEU A 59 6.675 8.935 -2.942 1.00 0.00 N ATOM 822 CA LEU A 59 7.276 7.965 -2.031 1.00 0.00 C ATOM 823 C LEU A 59 8.496 8.562 -1.316 1.00 0.00 C ATOM 824 O LEU A 59 9.569 7.953 -1.246 1.00 0.00 O ATOM 825 CB LEU A 59 7.582 6.624 -2.730 1.00 0.00 C ATOM 826 CG LEU A 59 6.328 5.785 -3.016 1.00 0.00 C ATOM 827 CD1 LEU A 59 6.702 4.557 -3.851 1.00 0.00 C ATOM 828 CD2 LEU A 59 5.640 5.295 -1.736 1.00 0.00 C ATOM 0 H LEU A 59 6.956 8.802 -3.914 1.00 0.00 H new ATOM 0 HA LEU A 59 6.542 7.733 -1.260 1.00 0.00 H new ATOM 0 HB2 LEU A 59 8.100 6.822 -3.669 1.00 0.00 H new ATOM 0 HB3 LEU A 59 8.263 6.045 -2.106 1.00 0.00 H new ATOM 0 HG LEU A 59 5.637 6.434 -3.553 1.00 0.00 H new ATOM 0 HD11 LEU A 59 5.808 3.966 -4.050 1.00 0.00 H new ATOM 0 HD12 LEU A 59 7.142 4.879 -4.795 1.00 0.00 H new ATOM 0 HD13 LEU A 59 7.423 3.950 -3.303 1.00 0.00 H new ATOM 0 HD21 LEU A 59 4.760 4.708 -1.998 1.00 0.00 H new ATOM 0 HD22 LEU A 59 6.332 4.677 -1.165 1.00 0.00 H new ATOM 0 HD23 LEU A 59 5.338 6.152 -1.134 1.00 0.00 H new ATOM 840 N ALA A 60 8.310 9.759 -0.758 1.00 0.00 N ATOM 841 CA ALA A 60 9.171 10.369 0.244 1.00 0.00 C ATOM 842 C ALA A 60 8.453 10.519 1.596 1.00 0.00 C ATOM 843 O ALA A 60 8.963 11.196 2.494 1.00 0.00 O ATOM 844 CB ALA A 60 9.717 11.698 -0.290 1.00 0.00 C ATOM 0 H ALA A 60 7.518 10.352 -1.006 1.00 0.00 H new ATOM 0 HA ALA A 60 10.019 9.711 0.435 1.00 0.00 H new ATOM 0 HB1 ALA A 60 10.362 12.154 0.461 1.00 0.00 H new ATOM 0 HB2 ALA A 60 10.291 11.517 -1.199 1.00 0.00 H new ATOM 0 HB3 ALA A 60 8.887 12.369 -0.512 1.00 0.00 H new ATOM 850 N VAL A 61 7.268 9.931 1.779 1.00 0.00 N ATOM 851 CA VAL A 61 6.673 9.777 3.108 1.00 0.00 C ATOM 852 C VAL A 61 7.339 8.585 3.820 1.00 0.00 C ATOM 853 O VAL A 61 8.061 7.809 3.193 1.00 0.00 O ATOM 854 CB VAL A 61 5.130 9.687 3.007 1.00 0.00 C ATOM 855 CG1 VAL A 61 4.546 11.024 2.521 1.00 0.00 C ATOM 856 CG2 VAL A 61 4.616 8.569 2.089 1.00 0.00 C ATOM 0 H VAL A 61 6.700 9.553 1.021 1.00 0.00 H new ATOM 0 HA VAL A 61 6.863 10.655 3.725 1.00 0.00 H new ATOM 0 HB VAL A 61 4.795 9.450 4.017 1.00 0.00 H new ATOM 0 HG11 VAL A 61 3.461 10.945 2.455 1.00 0.00 H new ATOM 0 HG12 VAL A 61 4.810 11.814 3.225 1.00 0.00 H new ATOM 0 HG13 VAL A 61 4.953 11.263 1.538 1.00 0.00 H new ATOM 0 HG21 VAL A 61 3.526 8.580 2.078 1.00 0.00 H new ATOM 0 HG22 VAL A 61 4.991 8.727 1.078 1.00 0.00 H new ATOM 0 HG23 VAL A 61 4.966 7.605 2.459 1.00 0.00 H new ATOM 866 N GLU A 62 7.097 8.397 5.116 1.00 0.00 N ATOM 867 CA GLU A 62 7.656 7.281 5.881 1.00 0.00 C ATOM 868 C GLU A 62 6.553 6.306 6.279 1.00 0.00 C ATOM 869 O GLU A 62 6.751 5.090 6.270 1.00 0.00 O ATOM 870 CB GLU A 62 8.379 7.757 7.158 1.00 0.00 C ATOM 871 CG GLU A 62 9.030 9.148 7.120 1.00 0.00 C ATOM 872 CD GLU A 62 9.882 9.442 8.363 1.00 0.00 C ATOM 873 OE1 GLU A 62 10.398 8.495 9.000 1.00 0.00 O ATOM 874 OE2 GLU A 62 9.976 10.622 8.783 1.00 0.00 O ATOM 0 H GLU A 62 6.505 9.017 5.669 1.00 0.00 H new ATOM 0 HA GLU A 62 8.383 6.788 5.235 1.00 0.00 H new ATOM 0 HB2 GLU A 62 7.661 7.743 7.978 1.00 0.00 H new ATOM 0 HB3 GLU A 62 9.153 7.028 7.399 1.00 0.00 H new ATOM 0 HG2 GLU A 62 9.655 9.227 6.230 1.00 0.00 H new ATOM 0 HG3 GLU A 62 8.252 9.906 7.031 1.00 0.00 H new ATOM 881 N LYS A 63 5.409 6.841 6.707 1.00 0.00 N ATOM 882 CA LYS A 63 4.387 6.070 7.397 1.00 0.00 C ATOM 883 C LYS A 63 3.041 6.622 7.038 1.00 0.00 C ATOM 884 O LYS A 63 2.870 7.844 6.987 1.00 0.00 O ATOM 885 CB LYS A 63 4.635 6.155 8.914 1.00 0.00 C ATOM 886 CG LYS A 63 4.542 4.813 9.652 1.00 0.00 C ATOM 887 CD LYS A 63 5.893 4.432 10.272 1.00 0.00 C ATOM 888 CE LYS A 63 6.922 4.080 9.202 1.00 0.00 C ATOM 889 NZ LYS A 63 8.278 3.910 9.746 1.00 0.00 N ATOM 0 H LYS A 63 5.169 7.824 6.582 1.00 0.00 H new ATOM 0 HA LYS A 63 4.425 5.022 7.099 1.00 0.00 H new ATOM 0 HB2 LYS A 63 5.624 6.581 9.084 1.00 0.00 H new ATOM 0 HB3 LYS A 63 3.912 6.845 9.349 1.00 0.00 H new ATOM 0 HG2 LYS A 63 3.784 4.875 10.433 1.00 0.00 H new ATOM 0 HG3 LYS A 63 4.223 4.034 8.959 1.00 0.00 H new ATOM 0 HD2 LYS A 63 6.264 5.260 10.876 1.00 0.00 H new ATOM 0 HD3 LYS A 63 5.760 3.583 10.943 1.00 0.00 H new ATOM 0 HE2 LYS A 63 6.619 3.160 8.702 1.00 0.00 H new ATOM 0 HE3 LYS A 63 6.935 4.865 8.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 8.910 3.557 8.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 8.630 4.825 10.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 8.254 3.227 10.530 1.00 0.00 H new ATOM 903 N VAL A 64 2.115 5.721 6.729 1.00 0.00 N ATOM 904 CA VAL A 64 0.908 6.127 6.060 1.00 0.00 C ATOM 905 C VAL A 64 -0.207 5.162 6.455 1.00 0.00 C ATOM 906 O VAL A 64 -0.055 3.947 6.277 1.00 0.00 O ATOM 907 CB VAL A 64 1.143 6.146 4.529 1.00 0.00 C ATOM 908 CG1 VAL A 64 0.166 7.145 3.946 1.00 0.00 C ATOM 909 CG2 VAL A 64 2.549 6.508 4.011 1.00 0.00 C ATOM 0 H VAL A 64 2.184 4.724 6.931 1.00 0.00 H new ATOM 0 HA VAL A 64 0.617 7.135 6.356 1.00 0.00 H new ATOM 0 HB VAL A 64 1.008 5.111 4.215 1.00 0.00 H new ATOM 0 HG11 VAL A 64 0.296 7.192 2.865 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -0.853 6.834 4.176 1.00 0.00 H new ATOM 0 HG13 VAL A 64 0.351 8.129 4.377 1.00 0.00 H new ATOM 0 HG21 VAL A 64 2.554 6.478 2.921 1.00 0.00 H new ATOM 0 HG22 VAL A 64 2.814 7.510 4.348 1.00 0.00 H new ATOM 0 HG23 VAL A 64 3.274 5.792 4.397 1.00 0.00 H new ATOM 919 N THR A 65 -1.338 5.696 6.911 1.00 0.00 N ATOM 920 CA THR A 65 -2.574 4.975 7.192 1.00 0.00 C ATOM 921 C THR A 65 -3.694 5.655 6.390 1.00 0.00 C ATOM 922 O THR A 65 -4.313 6.611 6.859 1.00 0.00 O ATOM 923 CB THR A 65 -2.857 5.008 8.701 1.00 0.00 C ATOM 924 OG1 THR A 65 -1.758 4.542 9.475 1.00 0.00 O ATOM 925 CG2 THR A 65 -4.060 4.150 9.086 1.00 0.00 C ATOM 0 H THR A 65 -1.420 6.694 7.104 1.00 0.00 H new ATOM 0 HA THR A 65 -2.502 3.928 6.899 1.00 0.00 H new ATOM 0 HB THR A 65 -3.052 6.059 8.916 1.00 0.00 H new ATOM 0 HG1 THR A 65 -1.987 4.584 10.427 1.00 0.00 H new ATOM 0 HG21 THR A 65 -4.218 4.207 10.163 1.00 0.00 H new ATOM 0 HG22 THR A 65 -4.948 4.515 8.569 1.00 0.00 H new ATOM 0 HG23 THR A 65 -3.874 3.114 8.801 1.00 0.00 H new ATOM 933 N LEU A 66 -3.923 5.210 5.154 1.00 0.00 N ATOM 934 CA LEU A 66 -4.992 5.746 4.310 1.00 0.00 C ATOM 935 C LEU A 66 -6.228 4.865 4.450 1.00 0.00 C ATOM 936 O LEU A 66 -6.103 3.642 4.562 1.00 0.00 O ATOM 937 CB LEU A 66 -4.564 5.797 2.835 1.00 0.00 C ATOM 938 CG LEU A 66 -3.314 6.644 2.567 1.00 0.00 C ATOM 939 CD1 LEU A 66 -2.940 6.534 1.093 1.00 0.00 C ATOM 940 CD2 LEU A 66 -3.491 8.114 2.940 1.00 0.00 C ATOM 0 H LEU A 66 -3.376 4.472 4.711 1.00 0.00 H new ATOM 0 HA LEU A 66 -5.213 6.763 4.635 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -4.381 4.780 2.487 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -5.390 6.192 2.243 1.00 0.00 H new ATOM 0 HG LEU A 66 -2.519 6.252 3.202 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -2.052 7.135 0.897 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -2.735 5.492 0.846 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -3.765 6.897 0.480 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.571 8.657 2.726 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -4.308 8.541 2.359 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -3.721 8.195 4.002 1.00 0.00 H new ATOM 952 N SER A 67 -7.428 5.453 4.399 1.00 0.00 N ATOM 953 CA SER A 67 -8.662 4.703 4.633 1.00 0.00 C ATOM 954 C SER A 67 -9.870 5.344 3.963 1.00 0.00 C ATOM 955 O SER A 67 -9.997 6.567 3.879 1.00 0.00 O ATOM 956 CB SER A 67 -8.889 4.572 6.139 1.00 0.00 C ATOM 957 OG SER A 67 -9.953 3.695 6.455 1.00 0.00 O ATOM 0 H SER A 67 -7.569 6.443 4.198 1.00 0.00 H new ATOM 0 HA SER A 67 -8.548 3.716 4.185 1.00 0.00 H new ATOM 0 HB2 SER A 67 -7.974 4.212 6.610 1.00 0.00 H new ATOM 0 HB3 SER A 67 -9.098 5.556 6.558 1.00 0.00 H new ATOM 0 HG SER A 67 -10.012 2.994 5.773 1.00 0.00 H new ATOM 963 N THR A 68 -10.776 4.491 3.500 1.00 0.00 N ATOM 964 CA THR A 68 -11.968 4.851 2.741 1.00 0.00 C ATOM 965 C THR A 68 -12.992 5.529 3.646 1.00 0.00 C ATOM 966 O THR A 68 -13.286 4.982 4.712 1.00 0.00 O ATOM 967 CB THR A 68 -12.562 3.569 2.139 1.00 0.00 C ATOM 968 OG1 THR A 68 -12.784 2.591 3.141 1.00 0.00 O ATOM 969 CG2 THR A 68 -11.648 2.936 1.091 1.00 0.00 C ATOM 0 H THR A 68 -10.696 3.485 3.650 1.00 0.00 H new ATOM 0 HA THR A 68 -11.704 5.551 1.948 1.00 0.00 H new ATOM 0 HB THR A 68 -13.499 3.874 1.672 1.00 0.00 H new ATOM 0 HG1 THR A 68 -12.924 3.033 4.004 1.00 0.00 H new ATOM 0 HG21 THR A 68 -12.116 2.033 0.698 1.00 0.00 H new ATOM 0 HG22 THR A 68 -11.483 3.643 0.278 1.00 0.00 H new ATOM 0 HG23 THR A 68 -10.693 2.680 1.549 1.00 0.00 H new ATOM 977 N THR A 69 -13.566 6.662 3.227 1.00 0.00 N ATOM 978 CA THR A 69 -14.660 7.259 3.987 1.00 0.00 C ATOM 979 C THR A 69 -15.914 6.367 3.856 1.00 0.00 C ATOM 980 O THR A 69 -16.511 5.941 4.848 1.00 0.00 O ATOM 981 CB THR A 69 -14.911 8.719 3.548 1.00 0.00 C ATOM 982 OG1 THR A 69 -15.308 8.846 2.194 1.00 0.00 O ATOM 983 CG2 THR A 69 -13.669 9.595 3.729 1.00 0.00 C ATOM 0 H THR A 69 -13.297 7.171 2.385 1.00 0.00 H new ATOM 0 HA THR A 69 -14.393 7.308 5.043 1.00 0.00 H new ATOM 0 HB THR A 69 -15.723 9.050 4.196 1.00 0.00 H new ATOM 0 HG1 THR A 69 -14.537 8.688 1.611 1.00 0.00 H new ATOM 0 HG21 THR A 69 -13.892 10.613 3.408 1.00 0.00 H new ATOM 0 HG22 THR A 69 -13.378 9.601 4.779 1.00 0.00 H new ATOM 0 HG23 THR A 69 -12.851 9.196 3.129 1.00 0.00 H new ATOM 991 N GLY A 70 -16.285 6.035 2.615 1.00 0.00 N ATOM 992 CA GLY A 70 -17.390 5.165 2.230 1.00 0.00 C ATOM 993 C GLY A 70 -16.856 3.915 1.536 1.00 0.00 C ATOM 994 O GLY A 70 -15.800 3.402 1.896 1.00 0.00 O ATOM 0 H GLY A 70 -15.785 6.394 1.802 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -17.965 4.883 3.112 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -18.068 5.699 1.564 1.00 0.00 H new ATOM 998 N LYS A 71 -17.573 3.375 0.549 1.00 0.00 N ATOM 999 CA LYS A 71 -17.172 2.141 -0.133 1.00 0.00 C ATOM 1000 C LYS A 71 -16.187 2.388 -1.268 1.00 0.00 C ATOM 1001 O LYS A 71 -16.470 3.165 -2.186 1.00 0.00 O ATOM 1002 CB LYS A 71 -18.420 1.435 -0.664 1.00 0.00 C ATOM 1003 CG LYS A 71 -18.921 0.362 0.296 1.00 0.00 C ATOM 1004 CD LYS A 71 -18.998 0.705 1.789 1.00 0.00 C ATOM 1005 CE LYS A 71 -19.996 -0.239 2.475 1.00 0.00 C ATOM 1006 NZ LYS A 71 -19.756 -1.673 2.185 1.00 0.00 N ATOM 0 H LYS A 71 -18.443 3.777 0.201 1.00 0.00 H new ATOM 0 HA LYS A 71 -16.658 1.512 0.594 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -19.208 2.169 -0.831 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -18.197 0.982 -1.630 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -19.918 0.063 -0.029 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -18.276 -0.510 0.187 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -18.014 0.608 2.248 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -19.310 1.741 1.920 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -19.949 -0.083 3.553 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -21.006 0.022 2.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -20.557 -2.237 2.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -19.661 -1.808 1.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -18.882 -1.981 2.657 1.00 0.00 H new ATOM 1020 N ALA A 72 -15.048 1.696 -1.235 1.00 0.00 N ATOM 1021 CA ALA A 72 -14.186 1.537 -2.395 1.00 0.00 C ATOM 1022 C ALA A 72 -14.784 0.493 -3.320 1.00 0.00 C ATOM 1023 O ALA A 72 -15.253 -0.548 -2.865 1.00 0.00 O ATOM 1024 CB ALA A 72 -12.789 1.090 -1.977 1.00 0.00 C ATOM 0 H ALA A 72 -14.700 1.230 -0.397 1.00 0.00 H new ATOM 0 HA ALA A 72 -14.108 2.497 -2.904 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -12.163 0.978 -2.862 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -12.351 1.837 -1.315 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -12.853 0.135 -1.455 1.00 0.00 H new ATOM 1030 N ILE A 73 -14.743 0.797 -4.615 1.00 0.00 N ATOM 1031 CA ILE A 73 -15.300 -0.021 -5.674 1.00 0.00 C ATOM 1032 C ILE A 73 -14.186 -0.918 -6.205 1.00 0.00 C ATOM 1033 O ILE A 73 -14.297 -2.143 -6.177 1.00 0.00 O ATOM 1034 CB ILE A 73 -15.872 0.912 -6.761 1.00 0.00 C ATOM 1035 CG1 ILE A 73 -16.699 2.076 -6.187 1.00 0.00 C ATOM 1036 CG2 ILE A 73 -16.699 0.155 -7.792 1.00 0.00 C ATOM 1037 CD1 ILE A 73 -17.846 1.705 -5.239 1.00 0.00 C ATOM 0 H ILE A 73 -14.305 1.650 -4.961 1.00 0.00 H new ATOM 0 HA ILE A 73 -16.113 -0.656 -5.322 1.00 0.00 H new ATOM 0 HB ILE A 73 -14.998 1.337 -7.255 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -16.022 2.745 -5.656 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -17.116 2.641 -7.021 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -17.080 0.854 -8.537 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -16.075 -0.592 -8.282 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -17.535 -0.339 -7.296 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -18.350 2.612 -4.905 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -18.558 1.066 -5.762 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -17.447 1.172 -4.376 1.00 0.00 H new ATOM 1049 N GLU A 74 -13.076 -0.302 -6.612 1.00 0.00 N ATOM 1050 CA GLU A 74 -11.903 -0.940 -7.191 1.00 0.00 C ATOM 1051 C GLU A 74 -10.699 -0.490 -6.363 1.00 0.00 C ATOM 1052 O GLU A 74 -10.618 0.689 -5.986 1.00 0.00 O ATOM 1053 CB GLU A 74 -11.722 -0.497 -8.653 1.00 0.00 C ATOM 1054 CG GLU A 74 -12.955 -0.590 -9.568 1.00 0.00 C ATOM 1055 CD GLU A 74 -13.312 -2.004 -10.018 1.00 0.00 C ATOM 1056 OE1 GLU A 74 -12.403 -2.734 -10.470 1.00 0.00 O ATOM 1057 OE2 GLU A 74 -14.511 -2.364 -10.017 1.00 0.00 O ATOM 0 H GLU A 74 -12.970 0.710 -6.541 1.00 0.00 H new ATOM 0 HA GLU A 74 -12.008 -2.025 -7.179 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -11.377 0.537 -8.654 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -10.927 -1.099 -9.093 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -13.811 -0.163 -9.045 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -12.782 0.025 -10.451 1.00 0.00 H new ATOM 1064 N PHE A 75 -9.787 -1.417 -6.068 1.00 0.00 N ATOM 1065 CA PHE A 75 -8.598 -1.208 -5.260 1.00 0.00 C ATOM 1066 C PHE A 75 -7.586 -2.300 -5.614 1.00 0.00 C ATOM 1067 O PHE A 75 -7.981 -3.387 -6.042 1.00 0.00 O ATOM 1068 CB PHE A 75 -9.017 -1.295 -3.793 1.00 0.00 C ATOM 1069 CG PHE A 75 -7.870 -1.248 -2.817 1.00 0.00 C ATOM 1070 CD1 PHE A 75 -6.982 -0.157 -2.814 1.00 0.00 C ATOM 1071 CD2 PHE A 75 -7.653 -2.338 -1.959 1.00 0.00 C ATOM 1072 CE1 PHE A 75 -5.889 -0.156 -1.935 1.00 0.00 C ATOM 1073 CE2 PHE A 75 -6.570 -2.324 -1.071 1.00 0.00 C ATOM 1074 CZ PHE A 75 -5.698 -1.223 -1.044 1.00 0.00 C ATOM 0 H PHE A 75 -9.866 -2.377 -6.404 1.00 0.00 H new ATOM 0 HA PHE A 75 -8.140 -0.236 -5.443 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -9.700 -0.474 -3.573 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -9.571 -2.221 -3.640 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -7.141 0.675 -3.484 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -8.321 -3.187 -1.984 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -5.192 0.669 -1.944 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -6.405 -3.160 -0.407 1.00 0.00 H new ATOM 0 HZ PHE A 75 -4.881 -1.198 -0.338 1.00 0.00 H new ATOM 1084 N ALA A 76 -6.296 -2.038 -5.401 1.00 0.00 N ATOM 1085 CA ALA A 76 -5.244 -3.025 -5.586 1.00 0.00 C ATOM 1086 C ALA A 76 -4.123 -2.778 -4.582 1.00 0.00 C ATOM 1087 O ALA A 76 -4.044 -1.699 -3.991 1.00 0.00 O ATOM 1088 CB ALA A 76 -4.722 -2.933 -7.021 1.00 0.00 C ATOM 0 H ALA A 76 -5.955 -1.127 -5.093 1.00 0.00 H new ATOM 0 HA ALA A 76 -5.637 -4.027 -5.416 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -3.932 -3.670 -7.169 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -5.537 -3.129 -7.718 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -4.324 -1.934 -7.200 1.00 0.00 H new ATOM 1094 N VAL A 77 -3.237 -3.759 -4.414 1.00 0.00 N ATOM 1095 CA VAL A 77 -2.061 -3.675 -3.556 1.00 0.00 C ATOM 1096 C VAL A 77 -0.933 -4.336 -4.345 1.00 0.00 C ATOM 1097 O VAL A 77 -1.151 -5.312 -5.064 1.00 0.00 O ATOM 1098 CB VAL A 77 -2.324 -4.357 -2.187 1.00 0.00 C ATOM 1099 CG1 VAL A 77 -1.167 -4.164 -1.193 1.00 0.00 C ATOM 1100 CG2 VAL A 77 -3.590 -3.824 -1.509 1.00 0.00 C ATOM 0 H VAL A 77 -3.322 -4.659 -4.886 1.00 0.00 H new ATOM 0 HA VAL A 77 -1.799 -2.646 -3.309 1.00 0.00 H new ATOM 0 HB VAL A 77 -2.435 -5.415 -2.427 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -1.407 -4.662 -0.254 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -0.255 -4.593 -1.608 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -1.017 -3.100 -1.011 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -3.732 -4.331 -0.555 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -3.488 -2.752 -1.339 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -4.452 -4.009 -2.150 1.00 0.00 H new ATOM 1110 N SER A 78 0.280 -3.813 -4.240 1.00 0.00 N ATOM 1111 CA SER A 78 1.459 -4.396 -4.857 1.00 0.00 C ATOM 1112 C SER A 78 2.689 -3.790 -4.180 1.00 0.00 C ATOM 1113 O SER A 78 2.556 -2.927 -3.308 1.00 0.00 O ATOM 1114 CB SER A 78 1.424 -4.222 -6.391 1.00 0.00 C ATOM 1115 OG SER A 78 0.687 -3.100 -6.856 1.00 0.00 O ATOM 0 H SER A 78 0.474 -2.960 -3.716 1.00 0.00 H new ATOM 0 HA SER A 78 1.494 -5.475 -4.708 1.00 0.00 H new ATOM 0 HB2 SER A 78 2.448 -4.140 -6.755 1.00 0.00 H new ATOM 0 HB3 SER A 78 1.000 -5.124 -6.833 1.00 0.00 H new ATOM 0 HG SER A 78 0.721 -3.069 -7.835 1.00 0.00 H new ATOM 1121 N GLY A 79 3.887 -4.253 -4.525 1.00 0.00 N ATOM 1122 CA GLY A 79 5.111 -3.795 -3.891 1.00 0.00 C ATOM 1123 C GLY A 79 6.272 -4.681 -4.307 1.00 0.00 C ATOM 1124 O GLY A 79 6.085 -5.626 -5.079 1.00 0.00 O ATOM 0 H GLY A 79 4.032 -4.955 -5.251 1.00 0.00 H new ATOM 0 HA2 GLY A 79 5.312 -2.761 -4.173 1.00 0.00 H new ATOM 0 HA3 GLY A 79 4.998 -3.814 -2.807 1.00 0.00 H new ATOM 1128 N GLY A 80 7.461 -4.388 -3.787 1.00 0.00 N ATOM 1129 CA GLY A 80 8.679 -5.033 -4.241 1.00 0.00 C ATOM 1130 C GLY A 80 9.116 -4.394 -5.551 1.00 0.00 C ATOM 1131 O GLY A 80 8.574 -4.754 -6.593 1.00 0.00 O ATOM 0 H GLY A 80 7.602 -3.702 -3.045 1.00 0.00 H new ATOM 0 HA2 GLY A 80 9.463 -4.929 -3.491 1.00 0.00 H new ATOM 0 HA3 GLY A 80 8.511 -6.101 -4.380 1.00 0.00 H new ATOM 1135 N VAL A 81 9.996 -3.394 -5.486 1.00 0.00 N ATOM 1136 CA VAL A 81 10.470 -2.616 -6.631 1.00 0.00 C ATOM 1137 C VAL A 81 11.959 -2.296 -6.474 1.00 0.00 C ATOM 1138 O VAL A 81 12.621 -2.847 -5.589 1.00 0.00 O ATOM 1139 CB VAL A 81 9.578 -1.378 -6.857 1.00 0.00 C ATOM 1140 CG1 VAL A 81 8.191 -1.831 -7.319 1.00 0.00 C ATOM 1141 CG2 VAL A 81 9.441 -0.454 -5.637 1.00 0.00 C ATOM 0 H VAL A 81 10.412 -3.093 -4.605 1.00 0.00 H new ATOM 0 HA VAL A 81 10.383 -3.208 -7.542 1.00 0.00 H new ATOM 0 HB VAL A 81 10.077 -0.783 -7.622 1.00 0.00 H new ATOM 0 HG11 VAL A 81 7.558 -0.958 -7.480 1.00 0.00 H new ATOM 0 HG12 VAL A 81 8.282 -2.390 -8.251 1.00 0.00 H new ATOM 0 HG13 VAL A 81 7.744 -2.468 -6.556 1.00 0.00 H new ATOM 0 HG21 VAL A 81 8.797 0.388 -5.889 1.00 0.00 H new ATOM 0 HG22 VAL A 81 9.004 -1.009 -4.807 1.00 0.00 H new ATOM 0 HG23 VAL A 81 10.425 -0.084 -5.348 1.00 0.00 H new ATOM 1295 N MET A 93 16.378 -1.195 3.737 1.00 0.00 N ATOM 1296 CA MET A 93 15.096 -0.594 4.062 1.00 0.00 C ATOM 1297 C MET A 93 14.124 -1.705 4.431 1.00 0.00 C ATOM 1298 O MET A 93 13.655 -2.447 3.565 1.00 0.00 O ATOM 1299 CB MET A 93 14.569 0.203 2.861 1.00 0.00 C ATOM 1300 CG MET A 93 15.498 1.342 2.437 1.00 0.00 C ATOM 1301 SD MET A 93 15.023 2.062 0.849 1.00 0.00 S ATOM 1302 CE MET A 93 16.609 2.006 -0.015 1.00 0.00 C ATOM 0 HA MET A 93 15.206 0.092 4.902 1.00 0.00 H new ATOM 0 HB2 MET A 93 14.427 -0.474 2.018 1.00 0.00 H new ATOM 0 HB3 MET A 93 13.590 0.614 3.108 1.00 0.00 H new ATOM 0 HG2 MET A 93 15.490 2.118 3.202 1.00 0.00 H new ATOM 0 HG3 MET A 93 16.520 0.969 2.373 1.00 0.00 H new ATOM 0 HE1 MET A 93 16.443 2.106 -1.088 1.00 0.00 H new ATOM 0 HE2 MET A 93 17.242 2.823 0.332 1.00 0.00 H new ATOM 0 HE3 MET A 93 17.101 1.055 0.188 1.00 0.00 H new ATOM 1312 N GLN A 94 13.835 -1.856 5.721 1.00 0.00 N ATOM 1313 CA GLN A 94 12.825 -2.810 6.140 1.00 0.00 C ATOM 1314 C GLN A 94 11.455 -2.301 5.689 1.00 0.00 C ATOM 1315 O GLN A 94 11.179 -1.093 5.739 1.00 0.00 O ATOM 1316 CB GLN A 94 12.857 -2.981 7.663 1.00 0.00 C ATOM 1317 CG GLN A 94 12.524 -4.424 8.029 1.00 0.00 C ATOM 1318 CD GLN A 94 11.996 -4.584 9.445 1.00 0.00 C ATOM 1319 OE1 GLN A 94 12.688 -5.058 10.345 1.00 0.00 O ATOM 1320 NE2 GLN A 94 10.743 -4.218 9.671 1.00 0.00 N ATOM 0 H GLN A 94 14.280 -1.338 6.479 1.00 0.00 H new ATOM 0 HA GLN A 94 13.023 -3.781 5.687 1.00 0.00 H new ATOM 0 HB2 GLN A 94 13.842 -2.717 8.047 1.00 0.00 H new ATOM 0 HB3 GLN A 94 12.141 -2.304 8.129 1.00 0.00 H new ATOM 0 HG2 GLN A 94 11.782 -4.806 7.328 1.00 0.00 H new ATOM 0 HG3 GLN A 94 13.418 -5.036 7.912 1.00 0.00 H new ATOM 0 HE21 GLN A 94 10.182 -3.827 8.915 1.00 0.00 H new ATOM 0 HE22 GLN A 94 10.340 -4.328 10.601 1.00 0.00 H new ATOM 1329 N TRP A 95 10.577 -3.218 5.294 1.00 0.00 N ATOM 1330 CA TRP A 95 9.223 -2.880 4.889 1.00 0.00 C ATOM 1331 C TRP A 95 8.240 -3.793 5.618 1.00 0.00 C ATOM 1332 O TRP A 95 8.540 -4.974 5.825 1.00 0.00 O ATOM 1333 CB TRP A 95 9.154 -3.056 3.372 1.00 0.00 C ATOM 1334 CG TRP A 95 9.025 -1.826 2.524 1.00 0.00 C ATOM 1335 CD1 TRP A 95 9.639 -0.631 2.703 1.00 0.00 C ATOM 1336 CD2 TRP A 95 8.158 -1.658 1.365 1.00 0.00 C ATOM 1337 NE1 TRP A 95 9.151 0.277 1.776 1.00 0.00 N ATOM 1338 CE2 TRP A 95 8.191 -0.291 0.963 1.00 0.00 C ATOM 1339 CE3 TRP A 95 7.335 -2.535 0.627 1.00 0.00 C ATOM 1340 CZ2 TRP A 95 7.367 0.205 -0.058 1.00 0.00 C ATOM 1341 CZ3 TRP A 95 6.509 -2.047 -0.401 1.00 0.00 C ATOM 1342 CH2 TRP A 95 6.511 -0.681 -0.731 1.00 0.00 C ATOM 0 H TRP A 95 10.787 -4.215 5.247 1.00 0.00 H new ATOM 0 HA TRP A 95 8.959 -1.854 5.145 1.00 0.00 H new ATOM 0 HB2 TRP A 95 10.053 -3.586 3.056 1.00 0.00 H new ATOM 0 HB3 TRP A 95 8.307 -3.705 3.150 1.00 0.00 H new ATOM 0 HD1 TRP A 95 10.390 -0.420 3.450 1.00 0.00 H new ATOM 0 HE1 TRP A 95 9.463 1.245 1.704 1.00 0.00 H new ATOM 0 HE3 TRP A 95 7.340 -3.591 0.854 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 7.391 1.252 -0.322 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 5.868 -2.728 -0.941 1.00 0.00 H new ATOM 0 HH2 TRP A 95 5.853 -0.312 -1.504 1.00 0.00 H new ATOM 1353 N VAL A 96 7.064 -3.269 5.970 1.00 0.00 N ATOM 1354 CA VAL A 96 5.892 -4.011 6.426 1.00 0.00 C ATOM 1355 C VAL A 96 4.668 -3.395 5.739 1.00 0.00 C ATOM 1356 O VAL A 96 4.538 -2.168 5.654 1.00 0.00 O ATOM 1357 CB VAL A 96 5.768 -3.987 7.970 1.00 0.00 C ATOM 1358 CG1 VAL A 96 4.407 -4.544 8.423 1.00 0.00 C ATOM 1359 CG2 VAL A 96 6.853 -4.805 8.690 1.00 0.00 C ATOM 0 H VAL A 96 6.897 -2.263 5.942 1.00 0.00 H new ATOM 0 HA VAL A 96 5.978 -5.064 6.157 1.00 0.00 H new ATOM 0 HB VAL A 96 5.882 -2.937 8.240 1.00 0.00 H new ATOM 0 HG11 VAL A 96 4.346 -4.516 9.511 1.00 0.00 H new ATOM 0 HG12 VAL A 96 3.606 -3.938 7.999 1.00 0.00 H new ATOM 0 HG13 VAL A 96 4.303 -5.574 8.080 1.00 0.00 H new ATOM 0 HG21 VAL A 96 6.702 -4.741 9.768 1.00 0.00 H new ATOM 0 HG22 VAL A 96 6.792 -5.847 8.376 1.00 0.00 H new ATOM 0 HG23 VAL A 96 7.836 -4.407 8.438 1.00 0.00 H new ATOM 1369 N VAL A 97 3.767 -4.249 5.262 1.00 0.00 N ATOM 1370 CA VAL A 97 2.473 -3.894 4.707 1.00 0.00 C ATOM 1371 C VAL A 97 1.440 -4.660 5.533 1.00 0.00 C ATOM 1372 O VAL A 97 1.656 -5.847 5.802 1.00 0.00 O ATOM 1373 CB VAL A 97 2.383 -4.303 3.215 1.00 0.00 C ATOM 1374 CG1 VAL A 97 1.286 -3.486 2.520 1.00 0.00 C ATOM 1375 CG2 VAL A 97 3.699 -4.166 2.425 1.00 0.00 C ATOM 0 H VAL A 97 3.932 -5.256 5.254 1.00 0.00 H new ATOM 0 HA VAL A 97 2.305 -2.818 4.750 1.00 0.00 H new ATOM 0 HB VAL A 97 2.146 -5.367 3.218 1.00 0.00 H new ATOM 0 HG11 VAL A 97 1.226 -3.776 1.471 1.00 0.00 H new ATOM 0 HG12 VAL A 97 0.328 -3.676 3.005 1.00 0.00 H new ATOM 0 HG13 VAL A 97 1.524 -2.424 2.590 1.00 0.00 H new ATOM 0 HG21 VAL A 97 3.537 -4.475 1.392 1.00 0.00 H new ATOM 0 HG22 VAL A 97 4.029 -3.127 2.446 1.00 0.00 H new ATOM 0 HG23 VAL A 97 4.463 -4.799 2.878 1.00 0.00 H new ATOM 1385 N THR A 98 0.333 -4.010 5.890 1.00 0.00 N ATOM 1386 CA THR A 98 -0.866 -4.671 6.382 1.00 0.00 C ATOM 1387 C THR A 98 -2.072 -3.936 5.796 1.00 0.00 C ATOM 1388 O THR A 98 -2.317 -2.768 6.135 1.00 0.00 O ATOM 1389 CB THR A 98 -0.918 -4.687 7.921 1.00 0.00 C ATOM 1390 OG1 THR A 98 0.275 -5.160 8.521 1.00 0.00 O ATOM 1391 CG2 THR A 98 -2.041 -5.613 8.383 1.00 0.00 C ATOM 0 H THR A 98 0.247 -2.995 5.843 1.00 0.00 H new ATOM 0 HA THR A 98 -0.868 -5.715 6.068 1.00 0.00 H new ATOM 0 HB THR A 98 -1.074 -3.652 8.225 1.00 0.00 H new ATOM 0 HG1 THR A 98 0.293 -4.898 9.465 1.00 0.00 H new ATOM 0 HG21 THR A 98 -2.078 -5.625 9.472 1.00 0.00 H new ATOM 0 HG22 THR A 98 -2.993 -5.254 7.991 1.00 0.00 H new ATOM 0 HG23 THR A 98 -1.855 -6.622 8.016 1.00 0.00 H new ATOM 1399 N VAL A 99 -2.814 -4.584 4.895 1.00 0.00 N ATOM 1400 CA VAL A 99 -4.065 -4.041 4.389 1.00 0.00 C ATOM 1401 C VAL A 99 -5.223 -4.674 5.176 1.00 0.00 C ATOM 1402 O VAL A 99 -5.502 -5.871 5.060 1.00 0.00 O ATOM 1403 CB VAL A 99 -4.168 -4.223 2.865 1.00 0.00 C ATOM 1404 CG1 VAL A 99 -5.359 -3.400 2.350 1.00 0.00 C ATOM 1405 CG2 VAL A 99 -2.913 -3.756 2.102 1.00 0.00 C ATOM 0 H VAL A 99 -2.563 -5.491 4.502 1.00 0.00 H new ATOM 0 HA VAL A 99 -4.112 -2.963 4.545 1.00 0.00 H new ATOM 0 HB VAL A 99 -4.287 -5.292 2.686 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -5.444 -3.520 1.270 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -6.275 -3.748 2.827 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -5.204 -2.348 2.587 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -3.057 -3.914 1.033 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -2.745 -2.696 2.292 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -2.048 -4.327 2.440 1.00 0.00 H new ATOM 1415 N TYR A 100 -5.912 -3.861 5.978 1.00 0.00 N ATOM 1416 CA TYR A 100 -7.109 -4.243 6.712 1.00 0.00 C ATOM 1417 C TYR A 100 -8.323 -4.039 5.809 1.00 0.00 C ATOM 1418 O TYR A 100 -8.364 -3.115 4.993 1.00 0.00 O ATOM 1419 CB TYR A 100 -7.239 -3.402 7.987 1.00 0.00 C ATOM 1420 CG TYR A 100 -6.088 -3.566 8.967 1.00 0.00 C ATOM 1421 CD1 TYR A 100 -6.127 -4.593 9.929 1.00 0.00 C ATOM 1422 CD2 TYR A 100 -4.967 -2.714 8.907 1.00 0.00 C ATOM 1423 CE1 TYR A 100 -5.039 -4.800 10.794 1.00 0.00 C ATOM 1424 CE2 TYR A 100 -3.876 -2.913 9.774 1.00 0.00 C ATOM 1425 CZ TYR A 100 -3.901 -3.967 10.714 1.00 0.00 C ATOM 1426 OH TYR A 100 -2.829 -4.203 11.523 1.00 0.00 O ATOM 0 H TYR A 100 -5.641 -2.891 6.136 1.00 0.00 H new ATOM 0 HA TYR A 100 -7.045 -5.291 7.005 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -7.316 -2.351 7.708 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -8.169 -3.668 8.490 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -6.999 -5.226 10.003 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -4.945 -1.905 8.192 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -5.073 -5.598 11.521 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -3.018 -2.259 9.720 1.00 0.00 H new ATOM 0 HH TYR A 100 -2.130 -3.541 11.341 1.00 0.00 H new ATOM 1436 N LYS A 101 -9.317 -4.913 5.902 1.00 0.00 N ATOM 1437 CA LYS A 101 -10.642 -4.717 5.318 1.00 0.00 C ATOM 1438 C LYS A 101 -11.553 -4.199 6.430 1.00 0.00 C ATOM 1439 O LYS A 101 -11.133 -4.168 7.586 1.00 0.00 O ATOM 1440 CB LYS A 101 -11.133 -6.061 4.756 1.00 0.00 C ATOM 1441 CG LYS A 101 -12.181 -5.895 3.646 1.00 0.00 C ATOM 1442 CD LYS A 101 -11.533 -5.735 2.263 1.00 0.00 C ATOM 1443 CE LYS A 101 -12.400 -4.866 1.360 1.00 0.00 C ATOM 1444 NZ LYS A 101 -11.772 -4.609 0.050 1.00 0.00 N ATOM 0 H LYS A 101 -9.224 -5.800 6.397 1.00 0.00 H new ATOM 0 HA LYS A 101 -10.633 -3.998 4.499 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -10.282 -6.619 4.365 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -11.559 -6.654 5.565 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -12.842 -6.762 3.639 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -12.800 -5.024 3.859 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -10.545 -5.287 2.368 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -11.391 -6.715 1.807 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -13.363 -5.353 1.208 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -12.598 -3.916 1.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -12.401 -4.014 -0.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -10.865 -4.120 0.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -11.606 -5.512 -0.439 1.00 0.00 H new ATOM 1458 N ASN A 102 -12.808 -3.890 6.098 1.00 0.00 N ATOM 1459 CA ASN A 102 -13.880 -3.509 7.013 1.00 0.00 C ATOM 1460 C ASN A 102 -13.944 -4.422 8.244 1.00 0.00 C ATOM 1461 O ASN A 102 -14.650 -5.427 8.267 1.00 0.00 O ATOM 1462 CB ASN A 102 -15.238 -3.328 6.283 1.00 0.00 C ATOM 1463 CG ASN A 102 -16.038 -4.576 5.915 1.00 0.00 C ATOM 1464 OD1 ASN A 102 -17.127 -4.808 6.432 1.00 0.00 O ATOM 1465 ND2 ASN A 102 -15.604 -5.330 4.916 1.00 0.00 N ATOM 0 H ASN A 102 -13.119 -3.900 5.127 1.00 0.00 H new ATOM 0 HA ASN A 102 -13.637 -2.522 7.406 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -15.871 -2.701 6.911 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -15.049 -2.772 5.365 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -16.175 -6.104 4.576 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -14.699 -5.137 4.487 1.00 0.00 H new ATOM 1472 N GLY A 103 -13.198 -4.046 9.275 1.00 0.00 N ATOM 1473 CA GLY A 103 -13.125 -4.707 10.567 1.00 0.00 C ATOM 1474 C GLY A 103 -12.411 -6.062 10.551 1.00 0.00 C ATOM 1475 O GLY A 103 -12.893 -6.959 11.243 1.00 0.00 O ATOM 0 H GLY A 103 -12.595 -3.225 9.227 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -12.612 -4.049 11.268 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -14.137 -4.849 10.945 1.00 0.00 H new ATOM 1479 N LYS A 104 -11.357 -6.279 9.745 1.00 0.00 N ATOM 1480 CA LYS A 104 -10.390 -7.365 9.951 1.00 0.00 C ATOM 1481 C LYS A 104 -9.076 -7.108 9.213 1.00 0.00 C ATOM 1482 O LYS A 104 -9.015 -6.238 8.348 1.00 0.00 O ATOM 1483 CB LYS A 104 -10.970 -8.725 9.537 1.00 0.00 C ATOM 1484 CG LYS A 104 -11.208 -8.950 8.035 1.00 0.00 C ATOM 1485 CD LYS A 104 -11.452 -10.442 7.724 1.00 0.00 C ATOM 1486 CE LYS A 104 -12.857 -10.761 7.214 1.00 0.00 C ATOM 1487 NZ LYS A 104 -13.889 -10.574 8.254 1.00 0.00 N ATOM 0 H LYS A 104 -11.153 -5.702 8.929 1.00 0.00 H new ATOM 0 HA LYS A 104 -10.178 -7.391 11.020 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -10.297 -9.504 9.895 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -11.919 -8.861 10.055 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -12.066 -8.363 7.709 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -10.346 -8.595 7.471 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -10.726 -10.768 6.979 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -11.266 -11.024 8.627 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -13.085 -10.122 6.361 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -12.886 -11.791 6.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -14.824 -10.802 7.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -13.689 -11.202 9.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -13.881 -9.585 8.577 1.00 0.00 H new ATOM 1501 N GLU A 105 -8.036 -7.897 9.480 1.00 0.00 N ATOM 1502 CA GLU A 105 -6.894 -8.041 8.571 1.00 0.00 C ATOM 1503 C GLU A 105 -7.331 -8.973 7.434 1.00 0.00 C ATOM 1504 O GLU A 105 -8.119 -9.885 7.691 1.00 0.00 O ATOM 1505 CB GLU A 105 -5.698 -8.664 9.324 1.00 0.00 C ATOM 1506 CG GLU A 105 -4.395 -8.535 8.515 1.00 0.00 C ATOM 1507 CD GLU A 105 -3.321 -9.552 8.906 1.00 0.00 C ATOM 1508 OE1 GLU A 105 -3.472 -10.753 8.576 1.00 0.00 O ATOM 1509 OE2 GLU A 105 -2.296 -9.169 9.507 1.00 0.00 O ATOM 0 H GLU A 105 -7.959 -8.455 10.331 1.00 0.00 H new ATOM 0 HA GLU A 105 -6.586 -7.070 8.182 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -5.578 -8.173 10.290 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -5.901 -9.716 9.525 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -4.623 -8.651 7.456 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -3.995 -7.530 8.646 1.00 0.00 H new ATOM 1516 N ILE A 106 -6.803 -8.809 6.216 1.00 0.00 N ATOM 1517 CA ILE A 106 -6.936 -9.809 5.149 1.00 0.00 C ATOM 1518 C ILE A 106 -5.584 -10.206 4.542 1.00 0.00 C ATOM 1519 O ILE A 106 -5.531 -11.121 3.711 1.00 0.00 O ATOM 1520 CB ILE A 106 -7.914 -9.335 4.047 1.00 0.00 C ATOM 1521 CG1 ILE A 106 -7.442 -8.019 3.389 1.00 0.00 C ATOM 1522 CG2 ILE A 106 -9.340 -9.227 4.606 1.00 0.00 C ATOM 1523 CD1 ILE A 106 -8.157 -7.714 2.072 1.00 0.00 C ATOM 0 H ILE A 106 -6.273 -7.982 5.942 1.00 0.00 H new ATOM 0 HA ILE A 106 -7.352 -10.702 5.616 1.00 0.00 H new ATOM 0 HB ILE A 106 -7.925 -10.084 3.256 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -7.605 -7.194 4.083 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -6.369 -8.075 3.208 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -10.015 -8.893 3.818 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -9.663 -10.202 4.971 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -9.356 -8.509 5.426 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -7.780 -6.777 1.662 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -7.973 -8.521 1.363 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -9.229 -7.626 2.252 1.00 0.00 H new ATOM 1535 N GLU A 107 -4.503 -9.501 4.884 1.00 0.00 N ATOM 1536 CA GLU A 107 -3.189 -9.670 4.288 1.00 0.00 C ATOM 1537 C GLU A 107 -2.147 -8.947 5.141 1.00 0.00 C ATOM 1538 O GLU A 107 -2.471 -7.977 5.829 1.00 0.00 O ATOM 1539 CB GLU A 107 -3.246 -9.079 2.877 1.00 0.00 C ATOM 1540 CG GLU A 107 -1.906 -9.065 2.142 1.00 0.00 C ATOM 1541 CD GLU A 107 -1.035 -7.833 2.358 1.00 0.00 C ATOM 1542 OE1 GLU A 107 -1.582 -6.713 2.318 1.00 0.00 O ATOM 1543 OE2 GLU A 107 0.206 -7.994 2.405 1.00 0.00 O ATOM 0 H GLU A 107 -4.525 -8.779 5.604 1.00 0.00 H new ATOM 0 HA GLU A 107 -2.909 -10.722 4.238 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -3.964 -9.648 2.287 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -3.623 -8.058 2.939 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -1.338 -9.944 2.447 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -2.100 -9.165 1.074 1.00 0.00 H new ATOM 1550 N LYS A 108 -0.896 -9.396 5.028 1.00 0.00 N ATOM 1551 CA LYS A 108 0.301 -8.822 5.629 1.00 0.00 C ATOM 1552 C LYS A 108 1.510 -9.346 4.855 1.00 0.00 C ATOM 1553 O LYS A 108 1.551 -10.541 4.520 1.00 0.00 O ATOM 1554 CB LYS A 108 0.362 -9.252 7.103 1.00 0.00 C ATOM 1555 CG LYS A 108 1.613 -8.807 7.870 1.00 0.00 C ATOM 1556 CD LYS A 108 1.547 -9.266 9.338 1.00 0.00 C ATOM 1557 CE LYS A 108 1.138 -8.163 10.324 1.00 0.00 C ATOM 1558 NZ LYS A 108 -0.183 -7.570 10.046 1.00 0.00 N ATOM 0 H LYS A 108 -0.682 -10.227 4.476 1.00 0.00 H new ATOM 0 HA LYS A 108 0.291 -7.733 5.586 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -0.516 -8.858 7.615 1.00 0.00 H new ATOM 0 HB3 LYS A 108 0.297 -10.339 7.149 1.00 0.00 H new ATOM 0 HG2 LYS A 108 2.503 -9.220 7.395 1.00 0.00 H new ATOM 0 HG3 LYS A 108 1.704 -7.722 7.827 1.00 0.00 H new ATOM 0 HD2 LYS A 108 0.838 -10.090 9.418 1.00 0.00 H new ATOM 0 HD3 LYS A 108 2.523 -9.655 9.630 1.00 0.00 H new ATOM 0 HE2 LYS A 108 1.135 -8.575 11.333 1.00 0.00 H new ATOM 0 HE3 LYS A 108 1.890 -7.375 10.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -0.614 -7.250 10.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -0.071 -6.759 9.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -0.796 -8.282 9.600 1.00 0.00 H new ATOM 1572 N LYS A 109 2.528 -8.510 4.653 1.00 0.00 N ATOM 1573 CA LYS A 109 3.860 -8.899 4.176 1.00 0.00 C ATOM 1574 C LYS A 109 4.907 -8.071 4.904 1.00 0.00 C ATOM 1575 O LYS A 109 4.606 -7.012 5.457 1.00 0.00 O ATOM 1576 CB LYS A 109 3.988 -8.692 2.645 1.00 0.00 C ATOM 1577 CG LYS A 109 3.754 -9.993 1.867 1.00 0.00 C ATOM 1578 CD LYS A 109 4.971 -10.929 1.798 1.00 0.00 C ATOM 1579 CE LYS A 109 4.490 -12.353 1.486 1.00 0.00 C ATOM 1580 NZ LYS A 109 5.596 -13.281 1.173 1.00 0.00 N ATOM 0 H LYS A 109 2.448 -7.507 4.822 1.00 0.00 H new ATOM 0 HA LYS A 109 4.013 -9.958 4.382 1.00 0.00 H new ATOM 0 HB2 LYS A 109 3.269 -7.941 2.319 1.00 0.00 H new ATOM 0 HB3 LYS A 109 4.980 -8.305 2.413 1.00 0.00 H new ATOM 0 HG2 LYS A 109 2.925 -10.531 2.327 1.00 0.00 H new ATOM 0 HG3 LYS A 109 3.447 -9.743 0.851 1.00 0.00 H new ATOM 0 HD2 LYS A 109 5.664 -10.589 1.029 1.00 0.00 H new ATOM 0 HD3 LYS A 109 5.512 -10.913 2.744 1.00 0.00 H new ATOM 0 HE2 LYS A 109 3.932 -12.737 2.340 1.00 0.00 H new ATOM 0 HE3 LYS A 109 3.800 -12.321 0.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 5.210 -14.225 0.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 6.115 -12.934 0.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 6.242 -13.338 1.986 1.00 0.00 H new ATOM 1594 N SER A 110 6.159 -8.506 4.849 1.00 0.00 N ATOM 1595 CA SER A 110 7.323 -7.715 5.129 1.00 0.00 C ATOM 1596 C SER A 110 8.410 -7.992 4.094 1.00 0.00 C ATOM 1597 O SER A 110 8.386 -9.042 3.441 1.00 0.00 O ATOM 1598 CB SER A 110 7.805 -8.036 6.539 1.00 0.00 C ATOM 1599 OG SER A 110 7.511 -9.333 7.040 1.00 0.00 O ATOM 0 H SER A 110 6.388 -9.467 4.595 1.00 0.00 H new ATOM 0 HA SER A 110 7.079 -6.654 5.071 1.00 0.00 H new ATOM 0 HB2 SER A 110 8.886 -7.899 6.567 1.00 0.00 H new ATOM 0 HB3 SER A 110 7.373 -7.303 7.220 1.00 0.00 H new ATOM 0 HG SER A 110 7.870 -9.422 7.948 1.00 0.00 H new ATOM 1605 N LEU A 111 9.399 -7.095 3.982 1.00 0.00 N ATOM 1606 CA LEU A 111 10.628 -7.358 3.231 1.00 0.00 C ATOM 1607 C LEU A 111 11.861 -6.901 3.994 1.00 0.00 C ATOM 1608 O LEU A 111 11.783 -5.947 4.770 1.00 0.00 O ATOM 1609 CB LEU A 111 10.550 -6.854 1.779 1.00 0.00 C ATOM 1610 CG LEU A 111 10.500 -5.409 1.320 1.00 0.00 C ATOM 1611 CD1 LEU A 111 11.801 -4.656 1.632 1.00 0.00 C ATOM 1612 CD2 LEU A 111 10.267 -5.341 -0.191 1.00 0.00 C ATOM 0 H LEU A 111 9.367 -6.169 4.409 1.00 0.00 H new ATOM 0 HA LEU A 111 10.734 -8.439 3.136 1.00 0.00 H new ATOM 0 HB2 LEU A 111 11.412 -7.289 1.274 1.00 0.00 H new ATOM 0 HB3 LEU A 111 9.662 -7.324 1.356 1.00 0.00 H new ATOM 0 HG LEU A 111 9.680 -4.939 1.862 1.00 0.00 H new ATOM 0 HD11 LEU A 111 11.717 -3.626 1.285 1.00 0.00 H new ATOM 0 HD12 LEU A 111 11.977 -4.663 2.708 1.00 0.00 H new ATOM 0 HD13 LEU A 111 12.634 -5.143 1.125 1.00 0.00 H new ATOM 0 HD21 LEU A 111 10.233 -4.298 -0.507 1.00 0.00 H new ATOM 0 HD22 LEU A 111 11.080 -5.851 -0.708 1.00 0.00 H new ATOM 0 HD23 LEU A 111 9.322 -5.825 -0.436 1.00 0.00 H new ATOM 1827 N ASN A 125 1.888 -8.753 -6.614 1.00 0.00 N ATOM 1828 CA ASN A 125 0.683 -8.135 -7.173 1.00 0.00 C ATOM 1829 C ASN A 125 -0.579 -8.735 -6.549 1.00 0.00 C ATOM 1830 O ASN A 125 -0.657 -9.958 -6.404 1.00 0.00 O ATOM 1831 CB ASN A 125 0.682 -8.326 -8.693 1.00 0.00 C ATOM 1832 CG ASN A 125 -0.293 -7.371 -9.353 1.00 0.00 C ATOM 1833 OD1 ASN A 125 -1.487 -7.635 -9.432 1.00 0.00 O ATOM 1834 ND2 ASN A 125 0.175 -6.218 -9.793 1.00 0.00 N ATOM 0 HA ASN A 125 0.686 -7.070 -6.943 1.00 0.00 H new ATOM 0 HB2 ASN A 125 1.685 -8.159 -9.086 1.00 0.00 H new ATOM 0 HB3 ASN A 125 0.412 -9.354 -8.935 1.00 0.00 H new ATOM 0 HD21 ASN A 125 -0.460 -5.534 -10.205 1.00 0.00 H new ATOM 0 HD22 ASN A 125 1.171 -6.011 -9.721 1.00 0.00 H new ATOM 1841 N LEU A 126 -1.532 -7.895 -6.125 1.00 0.00 N ATOM 1842 CA LEU A 126 -2.799 -8.270 -5.489 1.00 0.00 C ATOM 1843 C LEU A 126 -3.919 -7.380 -6.054 1.00 0.00 C ATOM 1844 O LEU A 126 -3.630 -6.250 -6.464 1.00 0.00 O ATOM 1845 CB LEU A 126 -2.770 -8.059 -3.963 1.00 0.00 C ATOM 1846 CG LEU A 126 -1.841 -8.987 -3.163 1.00 0.00 C ATOM 1847 CD1 LEU A 126 -0.391 -8.491 -3.134 1.00 0.00 C ATOM 1848 CD2 LEU A 126 -2.318 -9.095 -1.716 1.00 0.00 C ATOM 0 H LEU A 126 -1.434 -6.884 -6.222 1.00 0.00 H new ATOM 0 HA LEU A 126 -2.967 -9.327 -5.695 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -2.476 -7.028 -3.766 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -3.784 -8.179 -3.582 1.00 0.00 H new ATOM 0 HG LEU A 126 -1.874 -9.953 -3.666 1.00 0.00 H new ATOM 0 HD11 LEU A 126 0.219 -9.185 -2.556 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -0.006 -8.431 -4.152 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -0.353 -7.504 -2.673 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -1.651 -9.755 -1.161 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -2.314 -8.106 -1.257 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -3.329 -9.501 -1.696 1.00 0.00 H new ATOM 1860 N TYR A 127 -5.190 -7.804 -6.022 1.00 0.00 N ATOM 1861 CA TYR A 127 -6.304 -6.970 -6.502 1.00 0.00 C ATOM 1862 C TYR A 127 -7.618 -7.324 -5.810 1.00 0.00 C ATOM 1863 O TYR A 127 -7.856 -8.494 -5.513 1.00 0.00 O ATOM 1864 CB TYR A 127 -6.468 -7.124 -8.027 1.00 0.00 C ATOM 1865 CG TYR A 127 -6.974 -5.878 -8.735 1.00 0.00 C ATOM 1866 CD1 TYR A 127 -8.329 -5.492 -8.652 1.00 0.00 C ATOM 1867 CD2 TYR A 127 -6.066 -5.091 -9.467 1.00 0.00 C ATOM 1868 CE1 TYR A 127 -8.765 -4.304 -9.267 1.00 0.00 C ATOM 1869 CE2 TYR A 127 -6.504 -3.922 -10.108 1.00 0.00 C ATOM 1870 CZ TYR A 127 -7.856 -3.529 -10.020 1.00 0.00 C ATOM 1871 OH TYR A 127 -8.290 -2.429 -10.688 1.00 0.00 O ATOM 0 H TYR A 127 -5.473 -8.718 -5.669 1.00 0.00 H new ATOM 0 HA TYR A 127 -6.062 -5.935 -6.260 1.00 0.00 H new ATOM 0 HB2 TYR A 127 -5.507 -7.406 -8.457 1.00 0.00 H new ATOM 0 HB3 TYR A 127 -7.158 -7.944 -8.225 1.00 0.00 H new ATOM 0 HD1 TYR A 127 -9.033 -6.110 -8.115 1.00 0.00 H new ATOM 0 HD2 TYR A 127 -5.030 -5.387 -9.536 1.00 0.00 H new ATOM 0 HE1 TYR A 127 -9.792 -3.986 -9.163 1.00 0.00 H new ATOM 0 HE2 TYR A 127 -5.804 -3.322 -10.670 1.00 0.00 H new ATOM 0 HH TYR A 127 -7.536 -2.011 -11.154 1.00 0.00 H new ATOM 1881 N TYR A 128 -8.490 -6.325 -5.621 1.00 0.00 N ATOM 1882 CA TYR A 128 -9.752 -6.447 -4.906 1.00 0.00 C ATOM 1883 C TYR A 128 -10.823 -5.583 -5.593 1.00 0.00 C ATOM 1884 O TYR A 128 -10.716 -4.352 -5.598 1.00 0.00 O ATOM 1885 CB TYR A 128 -9.532 -5.984 -3.456 1.00 0.00 C ATOM 1886 CG TYR A 128 -8.393 -6.667 -2.706 1.00 0.00 C ATOM 1887 CD1 TYR A 128 -8.522 -8.002 -2.276 1.00 0.00 C ATOM 1888 CD2 TYR A 128 -7.188 -5.975 -2.456 1.00 0.00 C ATOM 1889 CE1 TYR A 128 -7.482 -8.615 -1.552 1.00 0.00 C ATOM 1890 CE2 TYR A 128 -6.176 -6.559 -1.669 1.00 0.00 C ATOM 1891 CZ TYR A 128 -6.334 -7.879 -1.195 1.00 0.00 C ATOM 1892 OH TYR A 128 -5.399 -8.445 -0.382 1.00 0.00 O ATOM 0 H TYR A 128 -8.325 -5.383 -5.975 1.00 0.00 H new ATOM 0 HA TYR A 128 -10.095 -7.482 -4.911 1.00 0.00 H new ATOM 0 HB2 TYR A 128 -9.345 -4.910 -3.462 1.00 0.00 H new ATOM 0 HB3 TYR A 128 -10.456 -6.144 -2.900 1.00 0.00 H new ATOM 0 HD1 TYR A 128 -9.421 -8.557 -2.502 1.00 0.00 H new ATOM 0 HD2 TYR A 128 -7.041 -4.989 -2.872 1.00 0.00 H new ATOM 0 HE1 TYR A 128 -7.564 -9.654 -1.269 1.00 0.00 H new ATOM 0 HE2 TYR A 128 -5.284 -5.999 -1.430 1.00 0.00 H new ATOM 0 HH TYR A 128 -4.669 -7.809 -0.231 1.00 0.00 H new ATOM 1902 N ASN A 129 -11.870 -6.175 -6.176 1.00 0.00 N ATOM 1903 CA ASN A 129 -13.080 -5.452 -6.593 1.00 0.00 C ATOM 1904 C ASN A 129 -14.261 -6.392 -6.642 1.00 0.00 C ATOM 1905 O ASN A 129 -14.052 -7.609 -6.821 1.00 0.00 O ATOM 1906 CB ASN A 129 -12.944 -4.730 -7.943 1.00 0.00 C ATOM 1907 CG ASN A 129 -12.963 -5.655 -9.149 1.00 0.00 C ATOM 1908 OD1 ASN A 129 -14.011 -6.079 -9.625 1.00 0.00 O ATOM 1909 ND2 ASN A 129 -11.805 -5.988 -9.694 1.00 0.00 N ATOM 0 H ASN A 129 -11.904 -7.175 -6.374 1.00 0.00 H new ATOM 0 HA ASN A 129 -13.236 -4.679 -5.841 1.00 0.00 H new ATOM 0 HB2 ASN A 129 -13.755 -4.009 -8.040 1.00 0.00 H new ATOM 0 HB3 ASN A 129 -12.012 -4.164 -7.948 1.00 0.00 H new ATOM 0 HD21 ASN A 129 -11.783 -6.598 -10.511 1.00 0.00 H new ATOM 0 HD22 ASN A 129 -10.934 -5.635 -9.297 1.00 0.00 H new