USER MOD reduce.3.24.130724 H: found=0, std=0, add=437, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 435 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 Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 16 CYS SG : rot 180:sc= -1.96 USER MOD Single : A 17 SER OG : rot 82:sc= 0.0991 USER MOD Single : A 19 TYR OH : rot 38:sc= 1.19 USER MOD Single : A 22 LYS NZ :NH3+ -136:sc= -1.77! (180deg=-4.54!) USER MOD Single : A 24 LYS NZ :NH3+ 178:sc= -1.2 (180deg=-1.26) USER MOD Single : A 27 HIS :FLIP no HD1:sc= -0.202 F(o=-0.84,f=-0.2) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ -156:sc= -0.0998 (180deg=-0.616) USER MOD Single : A 42 MET CE :methyl 180:sc= -0.852 (180deg=-0.852) USER MOD Single : A 44 ASN :FLIP amide:sc= -0.337 F(o=-1.6,f=-0.34) USER MOD Single : A 45 ASN :FLIP amide:sc= -0.636 F(o=-1.5,f=-0.64) USER MOD Single : A 46 THR OG1 : rot -134:sc= 0.0805 USER MOD Single : A 51 LYS NZ :NH3+ -161:sc= -2.36 (180deg=-3.26!) USER MOD Single : A 52 GLN :FLIP amide:sc= -0.433 F(o=-3.4!,f=-0.43) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ -147:sc= -1.12 (180deg=-3.04!) USER MOD Single : A 57 LYS NZ :NH3+ 161:sc= -0.0115 (180deg=-0.279) USER MOD Single : A 60 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.135) USER MOD Single : A 62 LYS NZ :NH3+ -154:sc= -0.0697 (180deg=-0.71) USER MOD ----------------------------------------------------------------- ATOM 85 N PRO A 8 1.023 0.276 -0.500 1.00 0.00 N ATOM 86 CA PRO A 8 0.988 1.361 0.538 1.00 0.00 C ATOM 87 C PRO A 8 0.771 2.751 -0.133 1.00 0.00 C ATOM 88 O PRO A 8 0.605 2.773 -1.335 1.00 0.00 O ATOM 89 CB PRO A 8 2.343 1.160 1.254 1.00 0.00 C ATOM 90 CG PRO A 8 3.259 0.648 0.141 1.00 0.00 C ATOM 91 CD PRO A 8 2.375 -0.344 -0.609 1.00 0.00 C ATOM 0 HA PRO A 8 0.164 1.318 1.251 1.00 0.00 H new ATOM 0 HB2 PRO A 8 2.713 2.091 1.683 1.00 0.00 H new ATOM 0 HB3 PRO A 8 2.263 0.443 2.071 1.00 0.00 H new ATOM 0 HG2 PRO A 8 3.596 1.457 -0.507 1.00 0.00 H new ATOM 0 HG3 PRO A 8 4.152 0.168 0.543 1.00 0.00 H new ATOM 0 HD2 PRO A 8 2.686 -0.459 -1.648 1.00 0.00 H new ATOM 0 HD3 PRO A 8 2.404 -1.335 -0.156 1.00 0.00 H new ATOM 99 N PRO A 9 0.768 3.843 0.620 1.00 0.00 N ATOM 100 CA PRO A 9 0.456 5.225 0.124 1.00 0.00 C ATOM 101 C PRO A 9 0.851 5.664 -1.305 1.00 0.00 C ATOM 102 O PRO A 9 1.499 4.960 -2.049 1.00 0.00 O ATOM 103 CB PRO A 9 1.068 6.113 1.207 1.00 0.00 C ATOM 104 CG PRO A 9 0.703 5.321 2.479 1.00 0.00 C ATOM 105 CD PRO A 9 1.069 3.882 2.086 1.00 0.00 C ATOM 0 HA PRO A 9 -0.622 5.295 -0.019 1.00 0.00 H new ATOM 0 HB2 PRO A 9 2.145 6.226 1.087 1.00 0.00 H new ATOM 0 HB3 PRO A 9 0.640 7.116 1.209 1.00 0.00 H new ATOM 0 HG2 PRO A 9 1.268 5.662 3.346 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -0.353 5.418 2.729 1.00 0.00 H new ATOM 0 HD2 PRO A 9 2.118 3.663 2.288 1.00 0.00 H new ATOM 0 HD3 PRO A 9 0.479 3.151 2.638 1.00 0.00 H new ATOM 113 N SER A 10 0.439 6.865 -1.621 1.00 0.00 N ATOM 114 CA SER A 10 0.715 7.459 -2.969 1.00 0.00 C ATOM 115 C SER A 10 1.822 8.525 -3.004 1.00 0.00 C ATOM 116 O SER A 10 2.694 8.461 -3.846 1.00 0.00 O ATOM 117 CB SER A 10 -0.600 8.074 -3.484 1.00 0.00 C ATOM 118 OG SER A 10 -1.517 6.990 -3.478 1.00 0.00 O ATOM 0 H SER A 10 -0.087 7.472 -0.992 1.00 0.00 H new ATOM 0 HA SER A 10 1.084 6.650 -3.599 1.00 0.00 H new ATOM 0 HB2 SER A 10 -0.939 8.886 -2.840 1.00 0.00 H new ATOM 0 HB3 SER A 10 -0.481 8.489 -4.485 1.00 0.00 H new ATOM 0 HG SER A 10 -2.391 7.299 -3.795 1.00 0.00 H new ATOM 124 N ALA A 11 1.721 9.446 -2.078 1.00 0.00 N ATOM 125 CA ALA A 11 2.644 10.618 -1.872 1.00 0.00 C ATOM 126 C ALA A 11 1.628 11.691 -1.455 1.00 0.00 C ATOM 127 O ALA A 11 1.773 12.435 -0.502 1.00 0.00 O ATOM 128 CB ALA A 11 3.313 11.071 -3.166 1.00 0.00 C ATOM 0 H ALA A 11 0.965 9.430 -1.394 1.00 0.00 H new ATOM 0 HA ALA A 11 3.457 10.406 -1.178 1.00 0.00 H new ATOM 0 HB1 ALA A 11 3.967 11.918 -2.960 1.00 0.00 H new ATOM 0 HB2 ALA A 11 3.900 10.251 -3.578 1.00 0.00 H new ATOM 0 HB3 ALA A 11 2.550 11.368 -3.885 1.00 0.00 H new ATOM 134 N PHE A 12 0.594 11.682 -2.257 1.00 0.00 N ATOM 135 CA PHE A 12 -0.588 12.556 -2.156 1.00 0.00 C ATOM 136 C PHE A 12 -1.145 12.194 -0.788 1.00 0.00 C ATOM 137 O PHE A 12 -1.507 13.057 -0.027 1.00 0.00 O ATOM 138 CB PHE A 12 -1.468 12.156 -3.370 1.00 0.00 C ATOM 139 CG PHE A 12 -2.984 12.440 -3.375 1.00 0.00 C ATOM 140 CD1 PHE A 12 -3.707 12.959 -2.317 1.00 0.00 C ATOM 141 CD2 PHE A 12 -3.665 12.103 -4.532 1.00 0.00 C ATOM 142 CE1 PHE A 12 -5.065 13.136 -2.411 1.00 0.00 C ATOM 143 CE2 PHE A 12 -5.026 12.280 -4.625 1.00 0.00 C ATOM 144 CZ PHE A 12 -5.731 12.797 -3.562 1.00 0.00 C ATOM 0 H PHE A 12 0.533 11.038 -3.045 1.00 0.00 H new ATOM 0 HA PHE A 12 -0.458 13.637 -2.204 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -1.047 12.649 -4.247 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -1.343 11.083 -3.516 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -3.196 13.229 -1.404 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -3.121 11.696 -5.372 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -5.612 13.544 -1.574 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -5.543 12.012 -5.535 1.00 0.00 H new ATOM 0 HZ PHE A 12 -6.800 12.935 -3.633 1.00 0.00 H new ATOM 154 N PHE A 13 -1.184 10.917 -0.498 1.00 0.00 N ATOM 155 CA PHE A 13 -1.728 10.463 0.820 1.00 0.00 C ATOM 156 C PHE A 13 -1.213 11.313 2.004 1.00 0.00 C ATOM 157 O PHE A 13 -2.004 11.816 2.780 1.00 0.00 O ATOM 158 CB PHE A 13 -1.351 8.982 1.022 1.00 0.00 C ATOM 159 CG PHE A 13 -2.372 8.373 1.998 1.00 0.00 C ATOM 160 CD1 PHE A 13 -2.356 8.688 3.345 1.00 0.00 C ATOM 161 CD2 PHE A 13 -3.341 7.509 1.523 1.00 0.00 C ATOM 162 CE1 PHE A 13 -3.294 8.148 4.199 1.00 0.00 C ATOM 163 CE2 PHE A 13 -4.278 6.967 2.376 1.00 0.00 C ATOM 164 CZ PHE A 13 -4.258 7.287 3.714 1.00 0.00 C ATOM 0 H PHE A 13 -0.864 10.171 -1.115 1.00 0.00 H new ATOM 0 HA PHE A 13 -2.811 10.587 0.801 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -1.365 8.450 0.071 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -0.340 8.895 1.421 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -1.604 9.361 3.730 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -3.364 7.256 0.473 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -3.275 8.399 5.249 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -5.028 6.291 1.994 1.00 0.00 H new ATOM 0 HZ PHE A 13 -4.994 6.866 4.383 1.00 0.00 H new ATOM 174 N LEU A 14 0.089 11.464 2.102 1.00 0.00 N ATOM 175 CA LEU A 14 0.686 12.265 3.216 1.00 0.00 C ATOM 176 C LEU A 14 0.043 13.669 3.243 1.00 0.00 C ATOM 177 O LEU A 14 -0.526 14.116 4.219 1.00 0.00 O ATOM 178 CB LEU A 14 2.234 12.390 3.011 1.00 0.00 C ATOM 179 CG LEU A 14 3.083 11.048 2.920 1.00 0.00 C ATOM 180 CD1 LEU A 14 2.682 9.929 3.905 1.00 0.00 C ATOM 181 CD2 LEU A 14 3.211 10.463 1.495 1.00 0.00 C ATOM 0 H LEU A 14 0.766 11.063 1.453 1.00 0.00 H new ATOM 0 HA LEU A 14 0.495 11.763 4.165 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.406 12.957 2.096 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.633 12.983 3.833 1.00 0.00 H new ATOM 0 HG LEU A 14 4.064 11.406 3.233 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.326 9.063 3.754 1.00 0.00 H new ATOM 0 HD12 LEU A 14 2.791 10.289 4.928 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.645 9.644 3.729 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.805 9.550 1.529 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.219 10.236 1.104 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.699 11.190 0.846 1.00 0.00 H new ATOM 193 N PHE A 15 0.166 14.320 2.119 1.00 0.00 N ATOM 194 CA PHE A 15 -0.386 15.698 1.923 1.00 0.00 C ATOM 195 C PHE A 15 -1.906 15.768 2.290 1.00 0.00 C ATOM 196 O PHE A 15 -2.369 16.645 3.004 1.00 0.00 O ATOM 197 CB PHE A 15 0.002 16.009 0.436 1.00 0.00 C ATOM 198 CG PHE A 15 -0.994 16.766 -0.442 1.00 0.00 C ATOM 199 CD1 PHE A 15 -2.062 16.089 -0.996 1.00 0.00 C ATOM 200 CD2 PHE A 15 -0.807 18.112 -0.723 1.00 0.00 C ATOM 201 CE1 PHE A 15 -2.930 16.738 -1.826 1.00 0.00 C ATOM 202 CE2 PHE A 15 -1.686 18.761 -1.560 1.00 0.00 C ATOM 203 CZ PHE A 15 -2.746 18.071 -2.111 1.00 0.00 C ATOM 0 H PHE A 15 0.642 13.943 1.299 1.00 0.00 H new ATOM 0 HA PHE A 15 0.016 16.466 2.584 1.00 0.00 H new ATOM 0 HB2 PHE A 15 0.930 16.580 0.450 1.00 0.00 H new ATOM 0 HB3 PHE A 15 0.219 15.060 -0.054 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -2.211 15.043 -0.772 1.00 0.00 H new ATOM 0 HD2 PHE A 15 0.024 18.647 -0.287 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -3.763 16.204 -2.260 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -1.546 19.808 -1.785 1.00 0.00 H new ATOM 0 HZ PHE A 15 -3.435 18.580 -2.769 1.00 0.00 H new ATOM 213 N CYS A 16 -2.645 14.819 1.781 1.00 0.00 N ATOM 214 CA CYS A 16 -4.113 14.741 2.047 1.00 0.00 C ATOM 215 C CYS A 16 -4.353 14.773 3.547 1.00 0.00 C ATOM 216 O CYS A 16 -5.112 15.595 4.023 1.00 0.00 O ATOM 217 CB CYS A 16 -4.708 13.423 1.477 1.00 0.00 C ATOM 218 SG CYS A 16 -6.375 12.986 2.031 1.00 0.00 S ATOM 0 H CYS A 16 -2.286 14.078 1.179 1.00 0.00 H new ATOM 0 HA CYS A 16 -4.597 15.589 1.563 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -4.717 13.495 0.389 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -4.036 12.605 1.737 1.00 0.00 H new ATOM 0 HG CYS A 16 -6.738 11.869 1.474 1.00 0.00 H new ATOM 223 N SER A 17 -3.692 13.876 4.235 1.00 0.00 N ATOM 224 CA SER A 17 -3.843 13.811 5.710 1.00 0.00 C ATOM 225 C SER A 17 -3.674 15.198 6.324 1.00 0.00 C ATOM 226 O SER A 17 -4.560 15.686 6.999 1.00 0.00 O ATOM 227 CB SER A 17 -2.790 12.880 6.305 1.00 0.00 C ATOM 228 OG SER A 17 -3.097 11.601 5.769 1.00 0.00 O ATOM 0 H SER A 17 -3.055 13.188 3.833 1.00 0.00 H new ATOM 0 HA SER A 17 -4.840 13.432 5.933 1.00 0.00 H new ATOM 0 HB2 SER A 17 -1.783 13.194 6.030 1.00 0.00 H new ATOM 0 HB3 SER A 17 -2.836 12.875 7.394 1.00 0.00 H new ATOM 0 HG SER A 17 -2.716 11.523 4.869 1.00 0.00 H new ATOM 234 N GLU A 18 -2.524 15.759 6.040 1.00 0.00 N ATOM 235 CA GLU A 18 -2.131 17.108 6.527 1.00 0.00 C ATOM 236 C GLU A 18 -3.312 18.057 6.684 1.00 0.00 C ATOM 237 O GLU A 18 -3.454 18.670 7.727 1.00 0.00 O ATOM 238 CB GLU A 18 -1.096 17.707 5.547 1.00 0.00 C ATOM 239 CG GLU A 18 -0.590 19.080 6.055 1.00 0.00 C ATOM 240 CD GLU A 18 0.041 18.940 7.454 1.00 0.00 C ATOM 241 OE1 GLU A 18 1.056 18.264 7.532 1.00 0.00 O ATOM 242 OE2 GLU A 18 -0.526 19.517 8.367 1.00 0.00 O ATOM 0 H GLU A 18 -1.813 15.310 5.463 1.00 0.00 H new ATOM 0 HA GLU A 18 -1.702 16.988 7.522 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -0.255 17.023 5.436 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -1.546 17.822 4.561 1.00 0.00 H new ATOM 0 HG2 GLU A 18 0.144 19.484 5.358 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -1.418 19.788 6.092 1.00 0.00 H new ATOM 249 N TYR A 19 -4.119 18.160 5.648 1.00 0.00 N ATOM 250 CA TYR A 19 -5.289 19.091 5.770 1.00 0.00 C ATOM 251 C TYR A 19 -6.633 18.582 5.233 1.00 0.00 C ATOM 252 O TYR A 19 -7.411 19.324 4.662 1.00 0.00 O ATOM 253 CB TYR A 19 -4.845 20.401 5.092 1.00 0.00 C ATOM 254 CG TYR A 19 -4.600 20.271 3.582 1.00 0.00 C ATOM 255 CD1 TYR A 19 -3.360 19.913 3.088 1.00 0.00 C ATOM 256 CD2 TYR A 19 -5.625 20.540 2.700 1.00 0.00 C ATOM 257 CE1 TYR A 19 -3.155 19.828 1.723 1.00 0.00 C ATOM 258 CE2 TYR A 19 -5.424 20.458 1.344 1.00 0.00 C ATOM 259 CZ TYR A 19 -4.188 20.104 0.846 1.00 0.00 C ATOM 260 OH TYR A 19 -3.998 20.038 -0.516 1.00 0.00 O ATOM 0 H TYR A 19 -4.025 17.664 4.762 1.00 0.00 H new ATOM 0 HA TYR A 19 -5.522 19.215 6.828 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -5.606 21.162 5.262 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -3.930 20.753 5.569 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -2.550 19.699 3.769 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -6.597 20.818 3.080 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -2.185 19.545 1.341 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -6.237 20.671 0.665 1.00 0.00 H new ATOM 0 HH TYR A 19 -3.413 19.281 -0.728 1.00 0.00 H new ATOM 270 N ARG A 20 -6.894 17.320 5.445 1.00 0.00 N ATOM 271 CA ARG A 20 -8.188 16.747 4.953 1.00 0.00 C ATOM 272 C ARG A 20 -9.347 17.321 5.800 1.00 0.00 C ATOM 273 O ARG A 20 -10.335 17.744 5.236 1.00 0.00 O ATOM 274 CB ARG A 20 -8.128 15.192 5.049 1.00 0.00 C ATOM 275 CG ARG A 20 -9.451 14.550 4.562 1.00 0.00 C ATOM 276 CD ARG A 20 -9.204 13.043 4.382 1.00 0.00 C ATOM 277 NE ARG A 20 -10.482 12.383 3.982 1.00 0.00 N ATOM 278 CZ ARG A 20 -10.878 11.305 4.603 1.00 0.00 C ATOM 279 NH1 ARG A 20 -11.166 11.368 5.875 1.00 0.00 N ATOM 280 NH2 ARG A 20 -10.970 10.198 3.921 1.00 0.00 N ATOM 0 H ARG A 20 -6.279 16.666 5.930 1.00 0.00 H new ATOM 0 HA ARG A 20 -8.357 17.018 3.911 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -7.298 14.820 4.449 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -7.935 14.896 6.080 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -10.248 14.723 5.285 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -9.770 15.000 3.622 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -8.440 12.875 3.623 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -8.831 12.610 5.310 1.00 0.00 H new ATOM 0 HE ARG A 20 -11.044 12.773 3.226 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -11.081 12.254 6.374 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -11.476 10.532 6.370 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -10.735 10.189 2.928 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -11.277 9.340 4.380 1.00 0.00 H new ATOM 294 N PRO A 21 -9.230 17.353 7.116 1.00 0.00 N ATOM 295 CA PRO A 21 -10.332 17.826 8.004 1.00 0.00 C ATOM 296 C PRO A 21 -10.736 19.273 7.692 1.00 0.00 C ATOM 297 O PRO A 21 -11.881 19.651 7.846 1.00 0.00 O ATOM 298 CB PRO A 21 -9.784 17.647 9.428 1.00 0.00 C ATOM 299 CG PRO A 21 -8.718 16.542 9.251 1.00 0.00 C ATOM 300 CD PRO A 21 -8.050 16.943 7.935 1.00 0.00 C ATOM 0 HA PRO A 21 -11.254 17.262 7.862 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -9.349 18.570 9.813 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -10.565 17.347 10.127 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -8.009 16.525 10.079 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -9.166 15.550 9.194 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -7.339 17.759 8.067 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -7.504 16.115 7.483 1.00 0.00 H new ATOM 308 N LYS A 22 -9.769 20.040 7.259 1.00 0.00 N ATOM 309 CA LYS A 22 -10.035 21.469 6.928 1.00 0.00 C ATOM 310 C LYS A 22 -10.773 21.675 5.607 1.00 0.00 C ATOM 311 O LYS A 22 -11.552 22.603 5.523 1.00 0.00 O ATOM 312 CB LYS A 22 -8.714 22.254 6.859 1.00 0.00 C ATOM 313 CG LYS A 22 -8.027 22.228 8.242 1.00 0.00 C ATOM 314 CD LYS A 22 -6.788 23.158 8.302 1.00 0.00 C ATOM 315 CE LYS A 22 -7.187 24.660 8.283 1.00 0.00 C ATOM 316 NZ LYS A 22 -7.587 25.107 6.916 1.00 0.00 N ATOM 0 H LYS A 22 -8.805 19.736 7.121 1.00 0.00 H new ATOM 0 HA LYS A 22 -10.679 21.833 7.728 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -8.058 21.817 6.107 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -8.906 23.283 6.555 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -8.743 22.531 9.006 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -7.724 21.207 8.475 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -6.218 22.945 9.207 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -6.134 22.946 7.456 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -8.012 24.826 8.976 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -6.350 25.264 8.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -7.154 26.030 6.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -7.264 24.410 6.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -8.622 25.192 6.868 1.00 0.00 H new ATOM 330 N ILE A 23 -10.562 20.841 4.616 1.00 0.00 N ATOM 331 CA ILE A 23 -11.300 21.089 3.336 1.00 0.00 C ATOM 332 C ILE A 23 -12.695 20.542 3.537 1.00 0.00 C ATOM 333 O ILE A 23 -13.679 21.080 3.077 1.00 0.00 O ATOM 334 CB ILE A 23 -10.588 20.376 2.136 1.00 0.00 C ATOM 335 CG1 ILE A 23 -10.087 18.939 2.484 1.00 0.00 C ATOM 336 CG2 ILE A 23 -9.420 21.288 1.691 1.00 0.00 C ATOM 337 CD1 ILE A 23 -9.616 18.214 1.206 1.00 0.00 C ATOM 0 H ILE A 23 -9.939 20.033 4.632 1.00 0.00 H new ATOM 0 HA ILE A 23 -11.326 22.152 3.096 1.00 0.00 H new ATOM 0 HB ILE A 23 -11.305 20.233 1.327 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -9.268 18.995 3.201 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -10.888 18.372 2.958 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -8.896 20.826 0.854 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -9.812 22.257 1.383 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -8.728 21.424 2.522 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -9.269 17.213 1.462 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -10.445 18.141 0.502 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -8.800 18.775 0.749 1.00 0.00 H new ATOM 349 N LYS A 24 -12.706 19.460 4.254 1.00 0.00 N ATOM 350 CA LYS A 24 -13.940 18.736 4.599 1.00 0.00 C ATOM 351 C LYS A 24 -14.852 19.651 5.429 1.00 0.00 C ATOM 352 O LYS A 24 -16.063 19.595 5.335 1.00 0.00 O ATOM 353 CB LYS A 24 -13.465 17.526 5.349 1.00 0.00 C ATOM 354 CG LYS A 24 -14.679 16.655 5.747 1.00 0.00 C ATOM 355 CD LYS A 24 -14.228 15.257 6.195 1.00 0.00 C ATOM 356 CE LYS A 24 -13.618 14.519 4.988 1.00 0.00 C ATOM 357 NZ LYS A 24 -13.428 13.085 5.324 1.00 0.00 N ATOM 0 H LYS A 24 -11.861 19.032 4.631 1.00 0.00 H new ATOM 0 HA LYS A 24 -14.539 18.436 3.739 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -12.777 16.949 4.731 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -12.915 17.830 6.239 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -15.230 17.139 6.553 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -15.362 16.568 4.902 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -13.495 15.337 6.998 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -15.075 14.697 6.591 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -14.272 14.616 4.121 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -12.663 14.969 4.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -13.048 12.582 4.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -12.761 13.000 6.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -14.342 12.667 5.593 1.00 0.00 H new ATOM 371 N GLY A 25 -14.202 20.470 6.219 1.00 0.00 N ATOM 372 CA GLY A 25 -14.906 21.433 7.104 1.00 0.00 C ATOM 373 C GLY A 25 -15.664 22.469 6.280 1.00 0.00 C ATOM 374 O GLY A 25 -16.819 22.749 6.535 1.00 0.00 O ATOM 0 H GLY A 25 -13.185 20.507 6.284 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -15.600 20.898 7.752 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -14.186 21.933 7.752 1.00 0.00 H new ATOM 378 N GLU A 26 -14.971 23.003 5.308 1.00 0.00 N ATOM 379 CA GLU A 26 -15.562 24.033 4.407 1.00 0.00 C ATOM 380 C GLU A 26 -16.637 23.445 3.487 1.00 0.00 C ATOM 381 O GLU A 26 -17.681 24.042 3.295 1.00 0.00 O ATOM 382 CB GLU A 26 -14.470 24.645 3.524 1.00 0.00 C ATOM 383 CG GLU A 26 -13.319 25.135 4.400 1.00 0.00 C ATOM 384 CD GLU A 26 -12.302 25.912 3.548 1.00 0.00 C ATOM 385 OE1 GLU A 26 -12.682 26.971 3.074 1.00 0.00 O ATOM 386 OE2 GLU A 26 -11.202 25.401 3.420 1.00 0.00 O ATOM 0 H GLU A 26 -14.002 22.763 5.098 1.00 0.00 H new ATOM 0 HA GLU A 26 -16.018 24.788 5.047 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -14.108 23.905 2.810 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -14.878 25.473 2.945 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -13.703 25.774 5.195 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -12.831 24.287 4.880 1.00 0.00 H new ATOM 393 N HIS A 27 -16.326 22.294 2.953 1.00 0.00 N ATOM 394 CA HIS A 27 -17.239 21.573 2.026 1.00 0.00 C ATOM 395 C HIS A 27 -17.684 20.219 2.600 1.00 0.00 C ATOM 396 O HIS A 27 -17.185 19.184 2.206 1.00 0.00 O ATOM 397 CB HIS A 27 -16.478 21.406 0.693 1.00 0.00 C ATOM 398 CG HIS A 27 -15.899 22.769 0.300 1.00 0.00 C ATOM 399 ND1 HIS A 27 -14.598 23.247 0.371 1.00 0.00 N flip ATOM 400 CD2 HIS A 27 -16.579 23.754 -0.184 1.00 0.00 C flip ATOM 401 CE1 HIS A 27 -14.554 24.489 -0.067 1.00 0.00 C flip ATOM 402 NE2 HIS A 27 -15.792 24.759 -0.399 1.00 0.00 N flip ATOM 0 H HIS A 27 -15.446 21.810 3.129 1.00 0.00 H new ATOM 0 HA HIS A 27 -18.158 22.140 1.876 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -15.681 20.670 0.800 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -17.148 21.039 -0.084 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -17.641 23.741 -0.379 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -13.693 25.137 -0.136 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -16.099 25.654 -0.781 1.00 0.00 H new ATOM 410 N PRO A 28 -18.615 20.248 3.523 1.00 0.00 N ATOM 411 CA PRO A 28 -19.368 19.040 3.968 1.00 0.00 C ATOM 412 C PRO A 28 -20.525 18.781 2.977 1.00 0.00 C ATOM 413 O PRO A 28 -21.649 18.528 3.365 1.00 0.00 O ATOM 414 CB PRO A 28 -19.802 19.429 5.376 1.00 0.00 C ATOM 415 CG PRO A 28 -20.174 20.926 5.179 1.00 0.00 C ATOM 416 CD PRO A 28 -19.040 21.463 4.267 1.00 0.00 C ATOM 0 HA PRO A 28 -18.815 18.101 3.984 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -20.649 18.837 5.723 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -19.002 19.297 6.104 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -21.152 21.038 4.712 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -20.211 21.459 6.129 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -19.396 22.245 3.596 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -18.222 21.889 4.847 1.00 0.00 H new ATOM 424 N GLY A 29 -20.180 18.863 1.716 1.00 0.00 N ATOM 425 CA GLY A 29 -21.142 18.648 0.601 1.00 0.00 C ATOM 426 C GLY A 29 -20.601 17.666 -0.449 1.00 0.00 C ATOM 427 O GLY A 29 -21.360 17.168 -1.259 1.00 0.00 O ATOM 0 H GLY A 29 -19.232 19.079 1.407 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -22.082 18.268 1.002 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -21.362 19.603 0.124 1.00 0.00 H new ATOM 431 N LEU A 30 -19.315 17.408 -0.409 1.00 0.00 N ATOM 432 CA LEU A 30 -18.673 16.479 -1.376 1.00 0.00 C ATOM 433 C LEU A 30 -18.551 15.037 -0.844 1.00 0.00 C ATOM 434 O LEU A 30 -18.953 14.746 0.263 1.00 0.00 O ATOM 435 CB LEU A 30 -17.286 17.062 -1.720 1.00 0.00 C ATOM 436 CG LEU A 30 -16.539 17.712 -0.524 1.00 0.00 C ATOM 437 CD1 LEU A 30 -16.577 16.829 0.765 1.00 0.00 C ATOM 438 CD2 LEU A 30 -15.094 18.047 -0.964 1.00 0.00 C ATOM 0 H LEU A 30 -18.674 17.815 0.272 1.00 0.00 H new ATOM 0 HA LEU A 30 -19.300 16.402 -2.264 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -16.664 16.266 -2.130 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -17.406 17.809 -2.505 1.00 0.00 H new ATOM 0 HG LEU A 30 -17.053 18.633 -0.248 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -16.039 17.334 1.568 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -17.612 16.669 1.066 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -16.106 15.867 0.561 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -14.557 18.505 -0.133 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -14.584 17.132 -1.265 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -15.121 18.741 -1.804 1.00 0.00 H new ATOM 450 N SER A 31 -17.995 14.185 -1.670 1.00 0.00 N ATOM 451 CA SER A 31 -17.795 12.744 -1.332 1.00 0.00 C ATOM 452 C SER A 31 -16.329 12.348 -1.376 1.00 0.00 C ATOM 453 O SER A 31 -15.473 13.155 -1.663 1.00 0.00 O ATOM 454 CB SER A 31 -18.589 11.897 -2.331 1.00 0.00 C ATOM 455 OG SER A 31 -19.925 12.346 -2.157 1.00 0.00 O ATOM 0 H SER A 31 -17.660 14.441 -2.599 1.00 0.00 H new ATOM 0 HA SER A 31 -18.146 12.574 -0.314 1.00 0.00 H new ATOM 0 HB2 SER A 31 -18.243 12.052 -3.353 1.00 0.00 H new ATOM 0 HB3 SER A 31 -18.493 10.832 -2.120 1.00 0.00 H new ATOM 0 HG SER A 31 -20.517 11.855 -2.765 1.00 0.00 H new ATOM 461 N ILE A 32 -16.077 11.099 -1.093 1.00 0.00 N ATOM 462 CA ILE A 32 -14.683 10.542 -1.094 1.00 0.00 C ATOM 463 C ILE A 32 -14.062 10.586 -2.510 1.00 0.00 C ATOM 464 O ILE A 32 -12.909 10.277 -2.714 1.00 0.00 O ATOM 465 CB ILE A 32 -14.804 9.095 -0.556 1.00 0.00 C ATOM 466 CG1 ILE A 32 -13.552 8.605 0.220 1.00 0.00 C ATOM 467 CG2 ILE A 32 -15.187 8.086 -1.680 1.00 0.00 C ATOM 468 CD1 ILE A 32 -12.224 8.620 -0.565 1.00 0.00 C ATOM 0 H ILE A 32 -16.797 10.418 -0.854 1.00 0.00 H new ATOM 0 HA ILE A 32 -14.015 11.133 -0.468 1.00 0.00 H new ATOM 0 HB ILE A 32 -15.618 9.132 0.168 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -13.433 9.225 1.109 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -13.737 7.587 0.564 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -15.261 7.083 -1.259 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -16.146 8.370 -2.112 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -14.422 8.098 -2.456 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -11.419 8.258 0.075 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -12.311 7.975 -1.439 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -12.003 9.638 -0.886 1.00 0.00 H new ATOM 480 N GLY A 33 -14.869 10.969 -3.454 1.00 0.00 N ATOM 481 CA GLY A 33 -14.403 11.062 -4.879 1.00 0.00 C ATOM 482 C GLY A 33 -14.243 12.517 -5.327 1.00 0.00 C ATOM 483 O GLY A 33 -13.790 12.795 -6.420 1.00 0.00 O ATOM 0 H GLY A 33 -15.845 11.227 -3.307 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -13.451 10.541 -4.986 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -15.117 10.557 -5.529 1.00 0.00 H new ATOM 487 N ASP A 34 -14.607 13.401 -4.438 1.00 0.00 N ATOM 488 CA ASP A 34 -14.540 14.867 -4.674 1.00 0.00 C ATOM 489 C ASP A 34 -13.412 15.375 -3.809 1.00 0.00 C ATOM 490 O ASP A 34 -12.556 16.094 -4.272 1.00 0.00 O ATOM 491 CB ASP A 34 -15.895 15.435 -4.273 1.00 0.00 C ATOM 492 CG ASP A 34 -16.991 14.966 -5.247 1.00 0.00 C ATOM 493 OD1 ASP A 34 -16.866 15.287 -6.418 1.00 0.00 O ATOM 494 OD2 ASP A 34 -17.897 14.308 -4.758 1.00 0.00 O ATOM 0 H ASP A 34 -14.964 13.150 -3.516 1.00 0.00 H new ATOM 0 HA ASP A 34 -14.345 15.154 -5.707 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -16.142 15.118 -3.260 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -15.850 16.524 -4.265 1.00 0.00 H new ATOM 499 N VAL A 35 -13.449 14.977 -2.570 1.00 0.00 N ATOM 500 CA VAL A 35 -12.404 15.375 -1.581 1.00 0.00 C ATOM 501 C VAL A 35 -11.095 14.850 -2.163 1.00 0.00 C ATOM 502 O VAL A 35 -10.057 15.450 -1.999 1.00 0.00 O ATOM 503 CB VAL A 35 -12.676 14.691 -0.226 1.00 0.00 C ATOM 504 CG1 VAL A 35 -11.588 15.080 0.801 1.00 0.00 C ATOM 505 CG2 VAL A 35 -14.003 15.164 0.330 1.00 0.00 C ATOM 0 H VAL A 35 -14.179 14.376 -2.189 1.00 0.00 H new ATOM 0 HA VAL A 35 -12.385 16.452 -1.412 1.00 0.00 H new ATOM 0 HB VAL A 35 -12.680 13.613 -0.389 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -11.794 14.589 1.752 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -10.611 14.764 0.434 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -11.591 16.161 0.942 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -14.190 14.678 1.287 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -13.974 16.244 0.471 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -14.801 14.911 -0.368 1.00 0.00 H new ATOM 515 N ALA A 36 -11.233 13.734 -2.836 1.00 0.00 N ATOM 516 CA ALA A 36 -10.105 13.024 -3.489 1.00 0.00 C ATOM 517 C ALA A 36 -9.733 13.634 -4.830 1.00 0.00 C ATOM 518 O ALA A 36 -8.559 13.813 -5.076 1.00 0.00 O ATOM 519 CB ALA A 36 -10.519 11.582 -3.662 1.00 0.00 C ATOM 0 H ALA A 36 -12.132 13.269 -2.961 1.00 0.00 H new ATOM 0 HA ALA A 36 -9.217 13.108 -2.862 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -9.712 11.027 -4.141 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -10.731 11.145 -2.686 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -11.413 11.532 -4.284 1.00 0.00 H new ATOM 525 N LYS A 37 -10.686 13.936 -5.676 1.00 0.00 N ATOM 526 CA LYS A 37 -10.287 14.541 -6.986 1.00 0.00 C ATOM 527 C LYS A 37 -10.080 16.057 -6.860 1.00 0.00 C ATOM 528 O LYS A 37 -9.646 16.695 -7.795 1.00 0.00 O ATOM 529 CB LYS A 37 -11.371 14.263 -8.041 1.00 0.00 C ATOM 530 CG LYS A 37 -11.226 12.819 -8.556 1.00 0.00 C ATOM 531 CD LYS A 37 -12.263 12.584 -9.671 1.00 0.00 C ATOM 532 CE LYS A 37 -11.960 11.257 -10.387 1.00 0.00 C ATOM 533 NZ LYS A 37 -12.961 11.026 -11.465 1.00 0.00 N ATOM 0 H LYS A 37 -11.686 13.798 -5.528 1.00 0.00 H new ATOM 0 HA LYS A 37 -9.344 14.087 -7.292 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -12.361 14.409 -7.608 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -11.278 14.967 -8.868 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -10.218 12.653 -8.937 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -11.380 12.111 -7.742 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -13.267 12.559 -9.248 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -12.238 13.408 -10.384 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -10.956 11.282 -10.810 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -11.984 10.434 -9.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -12.752 10.128 -11.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -13.914 10.983 -11.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -12.917 11.805 -12.152 1.00 0.00 H new ATOM 547 N LYS A 38 -10.363 16.596 -5.701 1.00 0.00 N ATOM 548 CA LYS A 38 -10.205 18.059 -5.486 1.00 0.00 C ATOM 549 C LYS A 38 -8.794 18.174 -4.974 1.00 0.00 C ATOM 550 O LYS A 38 -7.964 18.853 -5.540 1.00 0.00 O ATOM 551 CB LYS A 38 -11.228 18.549 -4.422 1.00 0.00 C ATOM 552 CG LYS A 38 -10.899 19.990 -3.962 1.00 0.00 C ATOM 553 CD LYS A 38 -11.986 20.513 -2.987 1.00 0.00 C ATOM 554 CE LYS A 38 -13.277 20.881 -3.749 1.00 0.00 C ATOM 555 NZ LYS A 38 -13.005 22.013 -4.678 1.00 0.00 N ATOM 0 H LYS A 38 -10.699 16.077 -4.890 1.00 0.00 H new ATOM 0 HA LYS A 38 -10.381 18.660 -6.378 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -12.235 18.517 -4.838 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -11.216 17.877 -3.564 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -9.925 20.008 -3.473 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -10.833 20.648 -4.828 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -12.205 19.752 -2.238 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -11.612 21.387 -2.454 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -13.640 20.018 -4.308 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -14.061 21.157 -3.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -13.891 22.520 -4.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -12.324 22.666 -4.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -12.610 21.645 -5.567 1.00 0.00 H new ATOM 569 N LEU A 39 -8.575 17.464 -3.905 1.00 0.00 N ATOM 570 CA LEU A 39 -7.257 17.451 -3.261 1.00 0.00 C ATOM 571 C LEU A 39 -6.251 16.833 -4.250 1.00 0.00 C ATOM 572 O LEU A 39 -5.175 17.351 -4.462 1.00 0.00 O ATOM 573 CB LEU A 39 -7.521 16.661 -2.019 1.00 0.00 C ATOM 574 CG LEU A 39 -6.296 16.313 -1.318 1.00 0.00 C ATOM 575 CD1 LEU A 39 -5.585 17.551 -0.743 1.00 0.00 C ATOM 576 CD2 LEU A 39 -6.684 15.381 -0.185 1.00 0.00 C ATOM 0 H LEU A 39 -9.278 16.882 -3.449 1.00 0.00 H new ATOM 0 HA LEU A 39 -6.816 18.413 -2.999 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -8.166 17.236 -1.355 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.061 15.750 -2.278 1.00 0.00 H new ATOM 0 HG LEU A 39 -5.601 15.844 -2.015 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.675 17.242 -0.228 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -5.329 18.233 -1.554 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -6.246 18.056 -0.039 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -5.792 15.093 0.371 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -7.379 15.890 0.483 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -7.160 14.490 -0.594 1.00 0.00 H new ATOM 588 N GLY A 40 -6.650 15.735 -4.833 1.00 0.00 N ATOM 589 CA GLY A 40 -5.791 15.015 -5.817 1.00 0.00 C ATOM 590 C GLY A 40 -5.300 15.950 -6.901 1.00 0.00 C ATOM 591 O GLY A 40 -4.125 15.975 -7.201 1.00 0.00 O ATOM 0 H GLY A 40 -7.556 15.297 -4.664 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -4.939 14.570 -5.303 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.355 14.197 -6.266 1.00 0.00 H new ATOM 595 N GLU A 41 -6.204 16.709 -7.467 1.00 0.00 N ATOM 596 CA GLU A 41 -5.764 17.644 -8.541 1.00 0.00 C ATOM 597 C GLU A 41 -4.668 18.558 -8.001 1.00 0.00 C ATOM 598 O GLU A 41 -3.608 18.649 -8.583 1.00 0.00 O ATOM 599 CB GLU A 41 -6.945 18.478 -9.002 1.00 0.00 C ATOM 600 CG GLU A 41 -7.847 17.649 -9.949 1.00 0.00 C ATOM 601 CD GLU A 41 -7.098 17.322 -11.257 1.00 0.00 C ATOM 602 OE1 GLU A 41 -6.765 18.272 -11.952 1.00 0.00 O ATOM 603 OE2 GLU A 41 -6.898 16.141 -11.489 1.00 0.00 O ATOM 0 H GLU A 41 -7.198 16.723 -7.240 1.00 0.00 H new ATOM 0 HA GLU A 41 -5.375 17.074 -9.385 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -7.521 18.813 -8.140 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -6.590 19.372 -9.515 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -8.151 16.726 -9.456 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -8.757 18.205 -10.173 1.00 0.00 H new ATOM 610 N MET A 42 -4.960 19.204 -6.899 1.00 0.00 N ATOM 611 CA MET A 42 -3.958 20.130 -6.283 1.00 0.00 C ATOM 612 C MET A 42 -2.612 19.457 -6.077 1.00 0.00 C ATOM 613 O MET A 42 -1.587 20.054 -6.324 1.00 0.00 O ATOM 614 CB MET A 42 -4.469 20.604 -4.965 1.00 0.00 C ATOM 615 CG MET A 42 -5.769 21.369 -5.225 1.00 0.00 C ATOM 616 SD MET A 42 -6.373 22.486 -3.936 1.00 0.00 S ATOM 617 CE MET A 42 -7.935 21.633 -3.614 1.00 0.00 C ATOM 0 H MET A 42 -5.847 19.131 -6.400 1.00 0.00 H new ATOM 0 HA MET A 42 -3.816 20.967 -6.967 1.00 0.00 H new ATOM 0 HB2 MET A 42 -4.647 19.761 -4.297 1.00 0.00 H new ATOM 0 HB3 MET A 42 -3.736 21.247 -4.478 1.00 0.00 H new ATOM 0 HG2 MET A 42 -5.636 21.952 -6.136 1.00 0.00 H new ATOM 0 HG3 MET A 42 -6.552 20.638 -5.426 1.00 0.00 H new ATOM 0 HE1 MET A 42 -8.484 22.161 -2.834 1.00 0.00 H new ATOM 0 HE2 MET A 42 -8.532 21.610 -4.526 1.00 0.00 H new ATOM 0 HE3 MET A 42 -7.732 20.613 -3.287 1.00 0.00 H new ATOM 627 N TRP A 43 -2.676 18.239 -5.603 1.00 0.00 N ATOM 628 CA TRP A 43 -1.449 17.436 -5.362 1.00 0.00 C ATOM 629 C TRP A 43 -0.658 17.420 -6.661 1.00 0.00 C ATOM 630 O TRP A 43 0.517 17.722 -6.678 1.00 0.00 O ATOM 631 CB TRP A 43 -1.835 15.999 -4.966 1.00 0.00 C ATOM 632 CG TRP A 43 -0.592 15.127 -5.090 1.00 0.00 C ATOM 633 CD1 TRP A 43 -0.388 14.232 -6.085 1.00 0.00 C ATOM 634 CD2 TRP A 43 0.469 15.126 -4.265 1.00 0.00 C ATOM 635 NE1 TRP A 43 0.797 13.742 -5.796 1.00 0.00 N ATOM 636 CE2 TRP A 43 1.405 14.210 -4.718 1.00 0.00 C ATOM 637 CE3 TRP A 43 0.716 15.864 -3.122 1.00 0.00 C ATOM 638 CZ2 TRP A 43 2.593 14.025 -4.024 1.00 0.00 C ATOM 639 CZ3 TRP A 43 1.904 15.682 -2.420 1.00 0.00 C ATOM 640 CH2 TRP A 43 2.847 14.761 -2.870 1.00 0.00 C ATOM 0 H TRP A 43 -3.547 17.762 -5.370 1.00 0.00 H new ATOM 0 HA TRP A 43 -0.857 17.865 -4.554 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -2.217 15.975 -3.946 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -2.629 15.625 -5.613 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -1.038 13.983 -6.911 1.00 0.00 H new ATOM 0 HE1 TRP A 43 1.231 13.028 -6.381 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -0.013 16.581 -2.774 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 3.320 13.310 -4.379 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 2.095 16.256 -1.525 1.00 0.00 H new ATOM 0 HH2 TRP A 43 3.770 14.619 -2.327 1.00 0.00 H new ATOM 651 N ASN A 44 -1.362 17.080 -7.709 1.00 0.00 N ATOM 652 CA ASN A 44 -0.715 17.015 -9.057 1.00 0.00 C ATOM 653 C ASN A 44 -0.116 18.370 -9.488 1.00 0.00 C ATOM 654 O ASN A 44 0.565 18.451 -10.495 1.00 0.00 O ATOM 655 CB ASN A 44 -1.771 16.522 -10.090 1.00 0.00 C ATOM 656 CG ASN A 44 -2.258 15.127 -9.657 1.00 0.00 C ATOM 657 OD1 ASN A 44 -3.538 14.889 -9.539 1.00 0.00 O flip ATOM 658 ND2 ASN A 44 -1.472 14.230 -9.422 1.00 0.00 N flip ATOM 0 H ASN A 44 -2.354 16.845 -7.692 1.00 0.00 H new ATOM 0 HA ASN A 44 0.120 16.316 -9.008 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -2.608 17.218 -10.138 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -1.334 16.479 -11.088 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -0.469 14.395 -9.508 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -1.815 13.312 -9.139 1.00 0.00 H new ATOM 665 N ASN A 45 -0.404 19.380 -8.699 1.00 0.00 N ATOM 666 CA ASN A 45 0.093 20.772 -8.948 1.00 0.00 C ATOM 667 C ASN A 45 0.618 21.409 -7.634 1.00 0.00 C ATOM 668 O ASN A 45 0.458 22.604 -7.458 1.00 0.00 O ATOM 669 CB ASN A 45 -1.054 21.641 -9.489 1.00 0.00 C ATOM 670 CG ASN A 45 -1.845 20.878 -10.544 1.00 0.00 C ATOM 671 OD1 ASN A 45 -3.068 20.550 -10.232 1.00 0.00 O flip ATOM 672 ND2 ASN A 45 -1.372 20.575 -11.621 1.00 0.00 N flip ATOM 0 H ASN A 45 -0.983 19.292 -7.864 1.00 0.00 H new ATOM 0 HA ASN A 45 0.905 20.720 -9.674 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -1.713 21.934 -8.672 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -0.652 22.558 -9.919 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -0.414 20.839 -11.850 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -1.933 20.056 -12.297 1.00 0.00 H new ATOM 679 N THR A 46 1.232 20.656 -6.744 1.00 0.00 N ATOM 680 CA THR A 46 1.717 21.318 -5.482 1.00 0.00 C ATOM 681 C THR A 46 3.010 22.063 -5.820 1.00 0.00 C ATOM 682 O THR A 46 3.183 23.200 -5.426 1.00 0.00 O ATOM 683 CB THR A 46 1.951 20.233 -4.358 1.00 0.00 C ATOM 684 OG1 THR A 46 2.253 21.003 -3.200 1.00 0.00 O ATOM 685 CG2 THR A 46 3.173 19.310 -4.530 1.00 0.00 C ATOM 0 H THR A 46 1.413 19.656 -6.828 1.00 0.00 H new ATOM 0 HA THR A 46 0.978 22.022 -5.099 1.00 0.00 H new ATOM 0 HB THR A 46 1.072 19.588 -4.348 1.00 0.00 H new ATOM 0 HG1 THR A 46 3.035 20.622 -2.749 1.00 0.00 H new ATOM 0 HG21 THR A 46 3.222 18.612 -3.694 1.00 0.00 H new ATOM 0 HG22 THR A 46 3.080 18.754 -5.463 1.00 0.00 H new ATOM 0 HG23 THR A 46 4.082 19.911 -4.555 1.00 0.00 H new ATOM 693 N ALA A 47 3.867 21.390 -6.543 1.00 0.00 N ATOM 694 CA ALA A 47 5.172 21.968 -6.968 1.00 0.00 C ATOM 695 C ALA A 47 5.939 20.931 -7.785 1.00 0.00 C ATOM 696 O ALA A 47 6.365 21.219 -8.885 1.00 0.00 O ATOM 697 CB ALA A 47 6.047 22.357 -5.745 1.00 0.00 C ATOM 0 H ALA A 47 3.709 20.435 -6.865 1.00 0.00 H new ATOM 0 HA ALA A 47 4.965 22.862 -7.556 1.00 0.00 H new ATOM 0 HB1 ALA A 47 6.992 22.775 -6.092 1.00 0.00 H new ATOM 0 HB2 ALA A 47 5.521 23.098 -5.143 1.00 0.00 H new ATOM 0 HB3 ALA A 47 6.243 21.471 -5.141 1.00 0.00 H new ATOM 703 N ALA A 48 6.064 19.773 -7.178 1.00 0.00 N ATOM 704 CA ALA A 48 6.777 18.559 -7.716 1.00 0.00 C ATOM 705 C ALA A 48 8.129 18.556 -6.980 1.00 0.00 C ATOM 706 O ALA A 48 8.835 17.569 -6.922 1.00 0.00 O ATOM 707 CB ALA A 48 7.043 18.630 -9.236 1.00 0.00 C ATOM 0 H ALA A 48 5.666 19.609 -6.253 1.00 0.00 H new ATOM 0 HA ALA A 48 6.171 17.667 -7.560 1.00 0.00 H new ATOM 0 HB1 ALA A 48 7.559 17.725 -9.558 1.00 0.00 H new ATOM 0 HB2 ALA A 48 6.095 18.716 -9.768 1.00 0.00 H new ATOM 0 HB3 ALA A 48 7.663 19.499 -9.457 1.00 0.00 H new ATOM 713 N ASP A 49 8.410 19.718 -6.442 1.00 0.00 N ATOM 714 CA ASP A 49 9.632 20.025 -5.671 1.00 0.00 C ATOM 715 C ASP A 49 9.200 20.085 -4.191 1.00 0.00 C ATOM 716 O ASP A 49 10.028 20.186 -3.308 1.00 0.00 O ATOM 717 CB ASP A 49 10.177 21.386 -6.133 1.00 0.00 C ATOM 718 CG ASP A 49 10.408 21.397 -7.659 1.00 0.00 C ATOM 719 OD1 ASP A 49 9.416 21.373 -8.371 1.00 0.00 O ATOM 720 OD2 ASP A 49 11.569 21.429 -8.031 1.00 0.00 O ATOM 0 H ASP A 49 7.783 20.518 -6.521 1.00 0.00 H new ATOM 0 HA ASP A 49 10.415 19.280 -5.813 1.00 0.00 H new ATOM 0 HB2 ASP A 49 9.475 22.175 -5.862 1.00 0.00 H new ATOM 0 HB3 ASP A 49 11.113 21.601 -5.618 1.00 0.00 H new ATOM 725 N ASP A 50 7.903 20.013 -3.987 1.00 0.00 N ATOM 726 CA ASP A 50 7.294 20.052 -2.618 1.00 0.00 C ATOM 727 C ASP A 50 6.640 18.683 -2.366 1.00 0.00 C ATOM 728 O ASP A 50 6.053 18.446 -1.330 1.00 0.00 O ATOM 729 CB ASP A 50 6.231 21.166 -2.562 1.00 0.00 C ATOM 730 CG ASP A 50 5.633 21.246 -1.145 1.00 0.00 C ATOM 731 OD1 ASP A 50 6.391 21.579 -0.248 1.00 0.00 O ATOM 732 OD2 ASP A 50 4.449 20.965 -1.040 1.00 0.00 O ATOM 0 H ASP A 50 7.221 19.926 -4.740 1.00 0.00 H new ATOM 0 HA ASP A 50 8.049 20.258 -1.859 1.00 0.00 H new ATOM 0 HB2 ASP A 50 6.679 22.122 -2.832 1.00 0.00 H new ATOM 0 HB3 ASP A 50 5.443 20.966 -3.288 1.00 0.00 H new ATOM 737 N LYS A 51 6.780 17.818 -3.337 1.00 0.00 N ATOM 738 CA LYS A 51 6.207 16.451 -3.239 1.00 0.00 C ATOM 739 C LYS A 51 7.348 15.654 -2.670 1.00 0.00 C ATOM 740 O LYS A 51 7.162 14.979 -1.688 1.00 0.00 O ATOM 741 CB LYS A 51 5.866 15.863 -4.600 1.00 0.00 C ATOM 742 CG LYS A 51 4.734 16.635 -5.236 1.00 0.00 C ATOM 743 CD LYS A 51 4.355 15.903 -6.524 1.00 0.00 C ATOM 744 CE LYS A 51 3.187 16.611 -7.196 1.00 0.00 C ATOM 745 NZ LYS A 51 3.540 17.992 -7.644 1.00 0.00 N ATOM 0 H LYS A 51 7.277 18.009 -4.207 1.00 0.00 H new ATOM 0 HA LYS A 51 5.286 16.447 -2.656 1.00 0.00 H new ATOM 0 HB2 LYS A 51 6.743 15.892 -5.246 1.00 0.00 H new ATOM 0 HB3 LYS A 51 5.585 14.816 -4.491 1.00 0.00 H new ATOM 0 HG2 LYS A 51 3.880 16.692 -4.561 1.00 0.00 H new ATOM 0 HG3 LYS A 51 5.040 17.659 -5.451 1.00 0.00 H new ATOM 0 HD2 LYS A 51 5.210 15.871 -7.200 1.00 0.00 H new ATOM 0 HD3 LYS A 51 4.086 14.871 -6.301 1.00 0.00 H new ATOM 0 HE2 LYS A 51 2.857 16.027 -8.055 1.00 0.00 H new ATOM 0 HE3 LYS A 51 2.348 16.660 -6.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 2.670 18.542 -7.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 4.121 18.455 -6.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 4.075 17.942 -8.534 1.00 0.00 H new ATOM 759 N GLN A 52 8.477 15.765 -3.325 1.00 0.00 N ATOM 760 CA GLN A 52 9.736 15.062 -2.928 1.00 0.00 C ATOM 761 C GLN A 52 9.790 14.664 -1.433 1.00 0.00 C ATOM 762 O GLN A 52 9.971 13.499 -1.160 1.00 0.00 O ATOM 763 CB GLN A 52 10.924 15.996 -3.312 1.00 0.00 C ATOM 764 CG GLN A 52 11.971 15.240 -4.170 1.00 0.00 C ATOM 765 CD GLN A 52 11.390 14.718 -5.503 1.00 0.00 C ATOM 766 OE1 GLN A 52 10.137 14.913 -5.816 1.00 0.00 O flip ATOM 767 NE2 GLN A 52 12.094 14.114 -6.288 1.00 0.00 N flip ATOM 0 H GLN A 52 8.580 16.343 -4.159 1.00 0.00 H new ATOM 0 HA GLN A 52 9.789 14.112 -3.459 1.00 0.00 H new ATOM 0 HB2 GLN A 52 10.550 16.858 -3.865 1.00 0.00 H new ATOM 0 HB3 GLN A 52 11.397 16.378 -2.408 1.00 0.00 H new ATOM 0 HG2 GLN A 52 12.809 15.904 -4.380 1.00 0.00 H new ATOM 0 HG3 GLN A 52 12.365 14.400 -3.597 1.00 0.00 H new ATOM 0 HE21 GLN A 52 13.076 13.948 -6.069 1.00 0.00 H new ATOM 0 HE22 GLN A 52 11.703 13.773 -7.166 1.00 0.00 H new ATOM 776 N PRO A 53 9.636 15.589 -0.506 1.00 0.00 N ATOM 777 CA PRO A 53 9.500 15.274 0.951 1.00 0.00 C ATOM 778 C PRO A 53 8.517 14.130 1.273 1.00 0.00 C ATOM 779 O PRO A 53 8.871 13.144 1.891 1.00 0.00 O ATOM 780 CB PRO A 53 9.094 16.620 1.578 1.00 0.00 C ATOM 781 CG PRO A 53 8.556 17.436 0.376 1.00 0.00 C ATOM 782 CD PRO A 53 9.540 17.059 -0.727 1.00 0.00 C ATOM 0 HA PRO A 53 10.430 14.880 1.361 1.00 0.00 H new ATOM 0 HB2 PRO A 53 8.333 16.490 2.347 1.00 0.00 H new ATOM 0 HB3 PRO A 53 9.943 17.114 2.050 1.00 0.00 H new ATOM 0 HG2 PRO A 53 7.532 17.161 0.121 1.00 0.00 H new ATOM 0 HG3 PRO A 53 8.558 18.507 0.576 1.00 0.00 H new ATOM 0 HD2 PRO A 53 9.166 17.306 -1.720 1.00 0.00 H new ATOM 0 HD3 PRO A 53 10.502 17.560 -0.615 1.00 0.00 H new ATOM 790 N TYR A 54 7.303 14.316 0.824 1.00 0.00 N ATOM 791 CA TYR A 54 6.208 13.317 1.040 1.00 0.00 C ATOM 792 C TYR A 54 6.520 12.051 0.246 1.00 0.00 C ATOM 793 O TYR A 54 6.511 10.946 0.755 1.00 0.00 O ATOM 794 CB TYR A 54 4.867 13.912 0.558 1.00 0.00 C ATOM 795 CG TYR A 54 4.438 15.120 1.406 1.00 0.00 C ATOM 796 CD1 TYR A 54 4.269 14.997 2.772 1.00 0.00 C ATOM 797 CD2 TYR A 54 4.220 16.353 0.817 1.00 0.00 C ATOM 798 CE1 TYR A 54 3.893 16.084 3.535 1.00 0.00 C ATOM 799 CE2 TYR A 54 3.845 17.437 1.576 1.00 0.00 C ATOM 800 CZ TYR A 54 3.678 17.312 2.941 1.00 0.00 C ATOM 801 OH TYR A 54 3.302 18.405 3.697 1.00 0.00 O ATOM 0 H TYR A 54 7.015 15.143 0.301 1.00 0.00 H new ATOM 0 HA TYR A 54 6.135 13.075 2.100 1.00 0.00 H new ATOM 0 HB2 TYR A 54 4.958 14.215 -0.485 1.00 0.00 H new ATOM 0 HB3 TYR A 54 4.093 13.145 0.601 1.00 0.00 H new ATOM 0 HD1 TYR A 54 4.433 14.041 3.247 1.00 0.00 H new ATOM 0 HD2 TYR A 54 4.346 16.465 -0.250 1.00 0.00 H new ATOM 0 HE1 TYR A 54 3.766 15.974 4.602 1.00 0.00 H new ATOM 0 HE2 TYR A 54 3.680 18.393 1.101 1.00 0.00 H new ATOM 0 HH TYR A 54 3.196 19.185 3.114 1.00 0.00 H new ATOM 811 N GLU A 55 6.783 12.286 -1.009 1.00 0.00 N ATOM 812 CA GLU A 55 7.117 11.210 -1.977 1.00 0.00 C ATOM 813 C GLU A 55 8.152 10.247 -1.402 1.00 0.00 C ATOM 814 O GLU A 55 7.900 9.063 -1.349 1.00 0.00 O ATOM 815 CB GLU A 55 7.620 11.896 -3.266 1.00 0.00 C ATOM 816 CG GLU A 55 6.743 11.463 -4.453 1.00 0.00 C ATOM 817 CD GLU A 55 7.189 12.208 -5.726 1.00 0.00 C ATOM 818 OE1 GLU A 55 8.325 11.995 -6.121 1.00 0.00 O ATOM 819 OE2 GLU A 55 6.367 12.957 -6.232 1.00 0.00 O ATOM 0 H GLU A 55 6.779 13.221 -1.417 1.00 0.00 H new ATOM 0 HA GLU A 55 6.238 10.603 -2.196 1.00 0.00 H new ATOM 0 HB2 GLU A 55 7.586 12.979 -3.151 1.00 0.00 H new ATOM 0 HB3 GLU A 55 8.660 11.628 -3.451 1.00 0.00 H new ATOM 0 HG2 GLU A 55 6.823 10.386 -4.603 1.00 0.00 H new ATOM 0 HG3 GLU A 55 5.696 11.679 -4.242 1.00 0.00 H new ATOM 826 N LYS A 56 9.283 10.765 -0.997 1.00 0.00 N ATOM 827 CA LYS A 56 10.372 9.927 -0.409 1.00 0.00 C ATOM 828 C LYS A 56 9.851 8.844 0.538 1.00 0.00 C ATOM 829 O LYS A 56 10.346 7.733 0.544 1.00 0.00 O ATOM 830 CB LYS A 56 11.364 10.812 0.389 1.00 0.00 C ATOM 831 CG LYS A 56 12.586 11.196 -0.476 1.00 0.00 C ATOM 832 CD LYS A 56 13.608 12.054 0.333 1.00 0.00 C ATOM 833 CE LYS A 56 14.511 11.189 1.262 1.00 0.00 C ATOM 834 NZ LYS A 56 13.754 10.615 2.411 1.00 0.00 N ATOM 0 H LYS A 56 9.503 11.760 -1.051 1.00 0.00 H new ATOM 0 HA LYS A 56 10.862 9.443 -1.254 1.00 0.00 H new ATOM 0 HB2 LYS A 56 10.858 11.715 0.730 1.00 0.00 H new ATOM 0 HB3 LYS A 56 11.698 10.278 1.279 1.00 0.00 H new ATOM 0 HG2 LYS A 56 13.075 10.292 -0.840 1.00 0.00 H new ATOM 0 HG3 LYS A 56 12.253 11.753 -1.352 1.00 0.00 H new ATOM 0 HD2 LYS A 56 14.236 12.614 -0.360 1.00 0.00 H new ATOM 0 HD3 LYS A 56 13.068 12.785 0.935 1.00 0.00 H new ATOM 0 HE2 LYS A 56 14.956 10.380 0.682 1.00 0.00 H new ATOM 0 HE3 LYS A 56 15.331 11.800 1.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 14.378 10.550 3.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 12.944 11.228 2.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 13.411 9.666 2.161 1.00 0.00 H new ATOM 848 N LYS A 57 8.848 9.202 1.303 1.00 0.00 N ATOM 849 CA LYS A 57 8.281 8.217 2.270 1.00 0.00 C ATOM 850 C LYS A 57 7.540 7.158 1.457 1.00 0.00 C ATOM 851 O LYS A 57 7.873 5.991 1.516 1.00 0.00 O ATOM 852 CB LYS A 57 7.302 8.929 3.220 1.00 0.00 C ATOM 853 CG LYS A 57 7.038 8.023 4.448 1.00 0.00 C ATOM 854 CD LYS A 57 5.713 8.438 5.101 1.00 0.00 C ATOM 855 CE LYS A 57 5.554 7.765 6.467 1.00 0.00 C ATOM 856 NZ LYS A 57 6.502 8.371 7.442 1.00 0.00 N ATOM 0 H LYS A 57 8.404 10.120 1.299 1.00 0.00 H new ATOM 0 HA LYS A 57 9.069 7.761 2.869 1.00 0.00 H new ATOM 0 HB2 LYS A 57 7.717 9.885 3.540 1.00 0.00 H new ATOM 0 HB3 LYS A 57 6.367 9.144 2.704 1.00 0.00 H new ATOM 0 HG2 LYS A 57 6.996 6.978 4.142 1.00 0.00 H new ATOM 0 HG3 LYS A 57 7.855 8.113 5.164 1.00 0.00 H new ATOM 0 HD2 LYS A 57 5.682 9.521 5.217 1.00 0.00 H new ATOM 0 HD3 LYS A 57 4.880 8.162 4.454 1.00 0.00 H new ATOM 0 HE2 LYS A 57 4.530 7.880 6.822 1.00 0.00 H new ATOM 0 HE3 LYS A 57 5.743 6.695 6.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 6.187 8.159 8.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 7.453 7.976 7.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 6.529 9.402 7.305 1.00 0.00 H new ATOM 870 N ALA A 58 6.552 7.610 0.723 1.00 0.00 N ATOM 871 CA ALA A 58 5.734 6.690 -0.131 1.00 0.00 C ATOM 872 C ALA A 58 6.655 5.684 -0.835 1.00 0.00 C ATOM 873 O ALA A 58 6.428 4.495 -0.794 1.00 0.00 O ATOM 874 CB ALA A 58 4.964 7.512 -1.179 1.00 0.00 C ATOM 0 H ALA A 58 6.274 8.590 0.678 1.00 0.00 H new ATOM 0 HA ALA A 58 5.025 6.148 0.495 1.00 0.00 H new ATOM 0 HB1 ALA A 58 4.369 6.843 -1.801 1.00 0.00 H new ATOM 0 HB2 ALA A 58 4.306 8.220 -0.675 1.00 0.00 H new ATOM 0 HB3 ALA A 58 5.671 8.056 -1.805 1.00 0.00 H new ATOM 880 N ALA A 59 7.674 6.228 -1.452 1.00 0.00 N ATOM 881 CA ALA A 59 8.691 5.428 -2.193 1.00 0.00 C ATOM 882 C ALA A 59 9.262 4.332 -1.293 1.00 0.00 C ATOM 883 O ALA A 59 9.101 3.169 -1.587 1.00 0.00 O ATOM 884 CB ALA A 59 9.821 6.370 -2.670 1.00 0.00 C ATOM 0 H ALA A 59 7.846 7.233 -1.471 1.00 0.00 H new ATOM 0 HA ALA A 59 8.223 4.953 -3.055 1.00 0.00 H new ATOM 0 HB1 ALA A 59 10.570 5.794 -3.213 1.00 0.00 H new ATOM 0 HB2 ALA A 59 9.405 7.134 -3.326 1.00 0.00 H new ATOM 0 HB3 ALA A 59 10.286 6.847 -1.807 1.00 0.00 H new ATOM 890 N LYS A 60 9.909 4.732 -0.226 1.00 0.00 N ATOM 891 CA LYS A 60 10.518 3.772 0.742 1.00 0.00 C ATOM 892 C LYS A 60 9.567 2.618 1.081 1.00 0.00 C ATOM 893 O LYS A 60 9.977 1.474 1.119 1.00 0.00 O ATOM 894 CB LYS A 60 10.900 4.546 2.019 1.00 0.00 C ATOM 895 CG LYS A 60 11.910 3.712 2.849 1.00 0.00 C ATOM 896 CD LYS A 60 12.320 4.527 4.096 1.00 0.00 C ATOM 897 CE LYS A 60 13.452 3.805 4.862 1.00 0.00 C ATOM 898 NZ LYS A 60 13.028 2.441 5.297 1.00 0.00 N ATOM 0 H LYS A 60 10.043 5.713 0.019 1.00 0.00 H new ATOM 0 HA LYS A 60 11.403 3.327 0.287 1.00 0.00 H new ATOM 0 HB2 LYS A 60 11.338 5.509 1.756 1.00 0.00 H new ATOM 0 HB3 LYS A 60 10.009 4.752 2.612 1.00 0.00 H new ATOM 0 HG2 LYS A 60 11.462 2.764 3.148 1.00 0.00 H new ATOM 0 HG3 LYS A 60 12.788 3.474 2.248 1.00 0.00 H new ATOM 0 HD2 LYS A 60 12.652 5.521 3.796 1.00 0.00 H new ATOM 0 HD3 LYS A 60 11.458 4.662 4.750 1.00 0.00 H new ATOM 0 HE2 LYS A 60 14.334 3.728 4.225 1.00 0.00 H new ATOM 0 HE3 LYS A 60 13.738 4.394 5.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 13.737 2.048 5.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 12.109 2.501 5.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 12.942 1.822 4.465 1.00 0.00 H new ATOM 912 N LEU A 61 8.315 2.939 1.317 1.00 0.00 N ATOM 913 CA LEU A 61 7.355 1.839 1.655 1.00 0.00 C ATOM 914 C LEU A 61 7.073 1.019 0.397 1.00 0.00 C ATOM 915 O LEU A 61 7.289 -0.175 0.419 1.00 0.00 O ATOM 916 CB LEU A 61 6.090 2.495 2.232 1.00 0.00 C ATOM 917 CG LEU A 61 6.540 3.472 3.366 1.00 0.00 C ATOM 918 CD1 LEU A 61 5.310 4.007 4.084 1.00 0.00 C ATOM 919 CD2 LEU A 61 7.525 2.802 4.378 1.00 0.00 C ATOM 0 H LEU A 61 7.926 3.882 1.292 1.00 0.00 H new ATOM 0 HA LEU A 61 7.759 1.151 2.398 1.00 0.00 H new ATOM 0 HB2 LEU A 61 5.549 3.034 1.454 1.00 0.00 H new ATOM 0 HB3 LEU A 61 5.412 1.738 2.625 1.00 0.00 H new ATOM 0 HG LEU A 61 7.086 4.295 2.905 1.00 0.00 H new ATOM 0 HD11 LEU A 61 5.619 4.689 4.876 1.00 0.00 H new ATOM 0 HD12 LEU A 61 4.677 4.539 3.374 1.00 0.00 H new ATOM 0 HD13 LEU A 61 4.752 3.177 4.517 1.00 0.00 H new ATOM 0 HD21 LEU A 61 7.806 3.524 5.145 1.00 0.00 H new ATOM 0 HD22 LEU A 61 7.039 1.946 4.846 1.00 0.00 H new ATOM 0 HD23 LEU A 61 8.418 2.468 3.850 1.00 0.00 H new ATOM 931 N LYS A 62 6.597 1.641 -0.654 1.00 0.00 N ATOM 932 CA LYS A 62 6.312 0.914 -1.938 1.00 0.00 C ATOM 933 C LYS A 62 7.458 -0.101 -2.193 1.00 0.00 C ATOM 934 O LYS A 62 7.239 -1.264 -2.446 1.00 0.00 O ATOM 935 CB LYS A 62 6.225 1.979 -3.058 1.00 0.00 C ATOM 936 CG LYS A 62 6.349 1.328 -4.451 1.00 0.00 C ATOM 937 CD LYS A 62 6.279 2.443 -5.511 1.00 0.00 C ATOM 938 CE LYS A 62 6.775 1.920 -6.869 1.00 0.00 C ATOM 939 NZ LYS A 62 8.219 1.555 -6.779 1.00 0.00 N ATOM 0 H LYS A 62 6.389 2.639 -0.680 1.00 0.00 H new ATOM 0 HA LYS A 62 5.375 0.358 -1.902 1.00 0.00 H new ATOM 0 HB2 LYS A 62 5.277 2.512 -2.985 1.00 0.00 H new ATOM 0 HB3 LYS A 62 7.017 2.717 -2.926 1.00 0.00 H new ATOM 0 HG2 LYS A 62 7.290 0.783 -4.534 1.00 0.00 H new ATOM 0 HG3 LYS A 62 5.548 0.606 -4.606 1.00 0.00 H new ATOM 0 HD2 LYS A 62 5.254 2.802 -5.604 1.00 0.00 H new ATOM 0 HD3 LYS A 62 6.886 3.292 -5.197 1.00 0.00 H new ATOM 0 HE2 LYS A 62 6.190 1.051 -7.169 1.00 0.00 H new ATOM 0 HE3 LYS A 62 6.631 2.681 -7.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 8.655 1.630 -7.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 8.700 2.202 -6.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 8.309 0.579 -6.432 1.00 0.00 H new