USER MOD reduce.3.24.130724 H: found=0, std=0, add=437, rem=0, adj=16 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 Set 1.1: A 19 TYR OH : rot -22:sc= 1.32 USER MOD Set 1.2: A 42 MET CE :methyl -178:sc= 0 (180deg=-0.01) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 16 CYS SG : rot 180:sc= -2.93! USER MOD Single : A 17 SER OG : rot 82:sc= 0.441 USER MOD Single : A 22 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.122) USER MOD Single : A 24 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0792) USER MOD Single : A 27 HIS : no HD1:sc= -0.0569 X(o=-0.057,f=-0.064) USER MOD Single : A 31 SER OG : rot 85:sc= 1.18 USER MOD Single : A 37 LYS NZ :NH3+ -156:sc= -0.193 (180deg=-0.858) USER MOD Single : A 38 LYS NZ :NH3+ -161:sc= 0 (180deg=-0.186) USER MOD Single : A 44 ASN :FLIP amide:sc= -0.303 F(o=-1.3,f=-0.3) USER MOD Single : A 45 ASN :FLIP amide:sc= -0.58 F(o=-1.4,f=-0.58) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ -138:sc= -0.265 (180deg=-2.39!) USER MOD Single : A 52 GLN : amide:sc= -0.727 X(o=-0.73,f=-0.52) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 162:sc= -0.0221 (180deg=-0.313) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 85 N PRO A 8 1.177 0.222 0.251 1.00 0.00 N ATOM 86 CA PRO A 8 0.958 1.466 1.059 1.00 0.00 C ATOM 87 C PRO A 8 0.266 2.641 0.303 1.00 0.00 C ATOM 88 O PRO A 8 -0.155 2.456 -0.822 1.00 0.00 O ATOM 89 CB PRO A 8 2.376 1.785 1.531 1.00 0.00 C ATOM 90 CG PRO A 8 3.194 1.467 0.258 1.00 0.00 C ATOM 91 CD PRO A 8 2.602 0.131 -0.200 1.00 0.00 C ATOM 0 HA PRO A 8 0.244 1.316 1.869 1.00 0.00 H new ATOM 0 HB2 PRO A 8 2.483 2.825 1.840 1.00 0.00 H new ATOM 0 HB3 PRO A 8 2.676 1.168 2.378 1.00 0.00 H new ATOM 0 HG2 PRO A 8 3.080 2.241 -0.500 1.00 0.00 H new ATOM 0 HG3 PRO A 8 4.260 1.385 0.472 1.00 0.00 H new ATOM 0 HD2 PRO A 8 2.676 0.006 -1.280 1.00 0.00 H new ATOM 0 HD3 PRO A 8 3.116 -0.716 0.255 1.00 0.00 H new ATOM 99 N PRO A 9 0.164 3.793 0.950 1.00 0.00 N ATOM 100 CA PRO A 9 -0.065 5.149 0.345 1.00 0.00 C ATOM 101 C PRO A 9 0.327 5.454 -1.121 1.00 0.00 C ATOM 102 O PRO A 9 0.791 4.606 -1.859 1.00 0.00 O ATOM 103 CB PRO A 9 0.627 6.114 1.361 1.00 0.00 C ATOM 104 CG PRO A 9 1.199 5.191 2.479 1.00 0.00 C ATOM 105 CD PRO A 9 0.281 3.971 2.426 1.00 0.00 C ATOM 0 HA PRO A 9 -1.141 5.261 0.211 1.00 0.00 H new ATOM 0 HB2 PRO A 9 1.419 6.688 0.881 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -0.084 6.832 1.769 1.00 0.00 H new ATOM 0 HG2 PRO A 9 2.238 4.922 2.287 1.00 0.00 H new ATOM 0 HG3 PRO A 9 1.170 5.675 3.455 1.00 0.00 H new ATOM 0 HD2 PRO A 9 0.717 3.101 2.917 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -0.683 4.155 2.901 1.00 0.00 H new ATOM 113 N SER A 10 0.119 6.704 -1.472 1.00 0.00 N ATOM 114 CA SER A 10 0.426 7.214 -2.850 1.00 0.00 C ATOM 115 C SER A 10 1.583 8.227 -2.865 1.00 0.00 C ATOM 116 O SER A 10 2.610 7.984 -3.466 1.00 0.00 O ATOM 117 CB SER A 10 -0.845 7.875 -3.411 1.00 0.00 C ATOM 118 OG SER A 10 -1.818 6.842 -3.364 1.00 0.00 O ATOM 0 H SER A 10 -0.261 7.411 -0.842 1.00 0.00 H new ATOM 0 HA SER A 10 0.740 6.369 -3.463 1.00 0.00 H new ATOM 0 HB2 SER A 10 -1.146 8.734 -2.812 1.00 0.00 H new ATOM 0 HB3 SER A 10 -0.692 8.234 -4.429 1.00 0.00 H new ATOM 0 HG SER A 10 -2.672 7.181 -3.706 1.00 0.00 H new ATOM 124 N ALA A 11 1.343 9.317 -2.181 1.00 0.00 N ATOM 125 CA ALA A 11 2.276 10.476 -2.017 1.00 0.00 C ATOM 126 C ALA A 11 1.349 11.638 -1.632 1.00 0.00 C ATOM 127 O ALA A 11 1.683 12.475 -0.812 1.00 0.00 O ATOM 128 CB ALA A 11 2.984 10.830 -3.329 1.00 0.00 C ATOM 0 H ALA A 11 0.461 9.457 -1.689 1.00 0.00 H new ATOM 0 HA ALA A 11 3.056 10.258 -1.288 1.00 0.00 H new ATOM 0 HB1 ALA A 11 3.651 11.676 -3.165 1.00 0.00 H new ATOM 0 HB2 ALA A 11 3.562 9.973 -3.673 1.00 0.00 H new ATOM 0 HB3 ALA A 11 2.242 11.093 -4.083 1.00 0.00 H new ATOM 134 N PHE A 12 0.187 11.633 -2.248 1.00 0.00 N ATOM 135 CA PHE A 12 -0.838 12.676 -1.996 1.00 0.00 C ATOM 136 C PHE A 12 -1.721 12.182 -0.864 1.00 0.00 C ATOM 137 O PHE A 12 -2.685 12.822 -0.502 1.00 0.00 O ATOM 138 CB PHE A 12 -1.595 12.896 -3.332 1.00 0.00 C ATOM 139 CG PHE A 12 -3.111 12.700 -3.424 1.00 0.00 C ATOM 140 CD1 PHE A 12 -3.967 13.588 -2.800 1.00 0.00 C ATOM 141 CD2 PHE A 12 -3.642 11.659 -4.160 1.00 0.00 C ATOM 142 CE1 PHE A 12 -5.334 13.451 -2.905 1.00 0.00 C ATOM 143 CE2 PHE A 12 -5.007 11.524 -4.267 1.00 0.00 C ATOM 144 CZ PHE A 12 -5.857 12.415 -3.644 1.00 0.00 C ATOM 0 H PHE A 12 -0.091 10.928 -2.930 1.00 0.00 H new ATOM 0 HA PHE A 12 -0.427 13.637 -1.686 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -1.386 13.916 -3.653 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -1.142 12.231 -4.068 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -3.558 14.402 -2.221 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -2.988 10.953 -4.650 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -5.990 14.152 -2.411 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -5.419 10.710 -4.846 1.00 0.00 H new ATOM 0 HZ PHE A 12 -6.927 12.300 -3.736 1.00 0.00 H new ATOM 154 N PHE A 13 -1.355 11.050 -0.317 1.00 0.00 N ATOM 155 CA PHE A 13 -2.154 10.496 0.800 1.00 0.00 C ATOM 156 C PHE A 13 -1.552 11.204 2.021 1.00 0.00 C ATOM 157 O PHE A 13 -2.296 11.668 2.860 1.00 0.00 O ATOM 158 CB PHE A 13 -1.964 8.964 0.887 1.00 0.00 C ATOM 159 CG PHE A 13 -3.227 8.392 1.564 1.00 0.00 C ATOM 160 CD1 PHE A 13 -3.520 8.676 2.887 1.00 0.00 C ATOM 161 CD2 PHE A 13 -4.101 7.592 0.842 1.00 0.00 C ATOM 162 CE1 PHE A 13 -4.664 8.174 3.474 1.00 0.00 C ATOM 163 CE2 PHE A 13 -5.242 7.089 1.432 1.00 0.00 C ATOM 164 CZ PHE A 13 -5.525 7.381 2.749 1.00 0.00 C ATOM 0 H PHE A 13 -0.545 10.496 -0.597 1.00 0.00 H new ATOM 0 HA PHE A 13 -3.228 10.654 0.701 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -1.830 8.535 -0.106 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -1.072 8.718 1.463 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -2.849 9.295 3.464 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -3.886 7.361 -0.191 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -4.885 8.404 4.506 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -5.914 6.466 0.861 1.00 0.00 H new ATOM 0 HZ PHE A 13 -6.419 6.989 3.211 1.00 0.00 H new ATOM 174 N LEU A 14 -0.237 11.282 2.095 1.00 0.00 N ATOM 175 CA LEU A 14 0.423 11.965 3.258 1.00 0.00 C ATOM 176 C LEU A 14 -0.165 13.392 3.307 1.00 0.00 C ATOM 177 O LEU A 14 -0.777 13.826 4.265 1.00 0.00 O ATOM 178 CB LEU A 14 1.984 12.059 3.059 1.00 0.00 C ATOM 179 CG LEU A 14 2.814 10.728 2.846 1.00 0.00 C ATOM 180 CD1 LEU A 14 2.494 9.596 3.842 1.00 0.00 C ATOM 181 CD2 LEU A 14 2.803 10.189 1.396 1.00 0.00 C ATOM 0 H LEU A 14 0.405 10.902 1.399 1.00 0.00 H new ATOM 0 HA LEU A 14 0.243 11.406 4.176 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.167 12.702 2.198 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.396 12.568 3.930 1.00 0.00 H new ATOM 0 HG LEU A 14 3.829 11.061 3.061 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.112 8.727 3.616 1.00 0.00 H new ATOM 0 HD12 LEU A 14 2.702 9.935 4.857 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.442 9.325 3.759 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.396 9.276 1.343 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.778 9.974 1.096 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.228 10.937 0.727 1.00 0.00 H new ATOM 193 N PHE A 15 0.058 14.070 2.217 1.00 0.00 N ATOM 194 CA PHE A 15 -0.414 15.470 2.012 1.00 0.00 C ATOM 195 C PHE A 15 -1.931 15.574 2.309 1.00 0.00 C ATOM 196 O PHE A 15 -2.377 16.412 3.076 1.00 0.00 O ATOM 197 CB PHE A 15 0.025 15.777 0.548 1.00 0.00 C ATOM 198 CG PHE A 15 -0.832 16.737 -0.290 1.00 0.00 C ATOM 199 CD1 PHE A 15 -2.023 16.277 -0.817 1.00 0.00 C ATOM 200 CD2 PHE A 15 -0.417 18.033 -0.569 1.00 0.00 C ATOM 201 CE1 PHE A 15 -2.794 17.088 -1.613 1.00 0.00 C ATOM 202 CE2 PHE A 15 -1.195 18.843 -1.371 1.00 0.00 C ATOM 203 CZ PHE A 15 -2.381 18.369 -1.893 1.00 0.00 C ATOM 0 H PHE A 15 0.573 13.692 1.422 1.00 0.00 H new ATOM 0 HA PHE A 15 0.007 16.216 2.686 1.00 0.00 H new ATOM 0 HB2 PHE A 15 1.037 16.181 0.584 1.00 0.00 H new ATOM 0 HB3 PHE A 15 0.079 14.829 0.013 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -2.351 15.271 -0.601 1.00 0.00 H new ATOM 0 HD2 PHE A 15 0.511 18.405 -0.160 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -3.725 16.720 -2.019 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -0.875 19.851 -1.591 1.00 0.00 H new ATOM 0 HZ PHE A 15 -2.986 19.005 -2.522 1.00 0.00 H new ATOM 213 N CYS A 16 -2.691 14.706 1.692 1.00 0.00 N ATOM 214 CA CYS A 16 -4.170 14.725 1.913 1.00 0.00 C ATOM 215 C CYS A 16 -4.522 14.717 3.386 1.00 0.00 C ATOM 216 O CYS A 16 -5.234 15.585 3.851 1.00 0.00 O ATOM 217 CB CYS A 16 -4.863 13.497 1.268 1.00 0.00 C ATOM 218 SG CYS A 16 -6.546 13.163 1.852 1.00 0.00 S ATOM 0 H CYS A 16 -2.355 13.989 1.049 1.00 0.00 H new ATOM 0 HA CYS A 16 -4.522 15.646 1.448 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -4.893 13.643 0.188 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -4.250 12.615 1.454 1.00 0.00 H new ATOM 0 HG CYS A 16 -7.018 12.118 1.240 1.00 0.00 H new ATOM 223 N SER A 17 -3.998 13.730 4.064 1.00 0.00 N ATOM 224 CA SER A 17 -4.264 13.599 5.512 1.00 0.00 C ATOM 225 C SER A 17 -4.020 14.917 6.239 1.00 0.00 C ATOM 226 O SER A 17 -4.900 15.434 6.903 1.00 0.00 O ATOM 227 CB SER A 17 -3.358 12.527 6.104 1.00 0.00 C ATOM 228 OG SER A 17 -3.729 11.314 5.461 1.00 0.00 O ATOM 0 H SER A 17 -3.395 13.009 3.668 1.00 0.00 H new ATOM 0 HA SER A 17 -5.310 13.320 5.640 1.00 0.00 H new ATOM 0 HB2 SER A 17 -2.308 12.759 5.926 1.00 0.00 H new ATOM 0 HB3 SER A 17 -3.490 12.455 7.184 1.00 0.00 H new ATOM 0 HG SER A 17 -3.287 11.258 4.588 1.00 0.00 H new ATOM 234 N GLU A 18 -2.813 15.392 6.057 1.00 0.00 N ATOM 235 CA GLU A 18 -2.330 16.659 6.664 1.00 0.00 C ATOM 236 C GLU A 18 -3.425 17.714 6.782 1.00 0.00 C ATOM 237 O GLU A 18 -3.594 18.285 7.843 1.00 0.00 O ATOM 238 CB GLU A 18 -1.160 17.186 5.806 1.00 0.00 C ATOM 239 CG GLU A 18 -0.557 18.459 6.440 1.00 0.00 C ATOM 240 CD GLU A 18 -0.050 18.158 7.865 1.00 0.00 C ATOM 241 OE1 GLU A 18 0.881 17.376 7.964 1.00 0.00 O ATOM 242 OE2 GLU A 18 -0.630 18.727 8.776 1.00 0.00 O ATOM 0 H GLU A 18 -2.113 14.924 5.482 1.00 0.00 H new ATOM 0 HA GLU A 18 -2.003 16.452 7.683 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -0.392 16.418 5.716 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -1.510 17.405 4.797 1.00 0.00 H new ATOM 0 HG2 GLU A 18 0.264 18.826 5.824 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -1.308 19.248 6.473 1.00 0.00 H new ATOM 249 N TYR A 19 -4.134 17.940 5.699 1.00 0.00 N ATOM 250 CA TYR A 19 -5.216 18.966 5.764 1.00 0.00 C ATOM 251 C TYR A 19 -6.504 18.528 5.070 1.00 0.00 C ATOM 252 O TYR A 19 -7.076 19.245 4.271 1.00 0.00 O ATOM 253 CB TYR A 19 -4.636 20.269 5.159 1.00 0.00 C ATOM 254 CG TYR A 19 -4.426 20.200 3.635 1.00 0.00 C ATOM 255 CD1 TYR A 19 -3.563 19.302 3.036 1.00 0.00 C ATOM 256 CD2 TYR A 19 -5.125 21.086 2.843 1.00 0.00 C ATOM 257 CE1 TYR A 19 -3.412 19.301 1.661 1.00 0.00 C ATOM 258 CE2 TYR A 19 -4.979 21.090 1.475 1.00 0.00 C ATOM 259 CZ TYR A 19 -4.119 20.196 0.876 1.00 0.00 C ATOM 260 OH TYR A 19 -3.974 20.216 -0.495 1.00 0.00 O ATOM 0 H TYR A 19 -4.014 17.473 4.800 1.00 0.00 H new ATOM 0 HA TYR A 19 -5.515 19.121 6.801 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -5.308 21.096 5.388 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -3.683 20.490 5.639 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -3.007 18.601 3.641 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -5.800 21.791 3.305 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -2.738 18.597 1.196 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -5.537 21.792 0.873 1.00 0.00 H new ATOM 0 HH TYR A 19 -3.116 19.810 -0.739 1.00 0.00 H new ATOM 270 N ARG A 20 -6.940 17.346 5.411 1.00 0.00 N ATOM 271 CA ARG A 20 -8.192 16.814 4.801 1.00 0.00 C ATOM 272 C ARG A 20 -9.382 17.344 5.621 1.00 0.00 C ATOM 273 O ARG A 20 -10.294 17.873 5.020 1.00 0.00 O ATOM 274 CB ARG A 20 -8.116 15.245 4.786 1.00 0.00 C ATOM 275 CG ARG A 20 -9.522 14.598 4.630 1.00 0.00 C ATOM 276 CD ARG A 20 -9.375 13.077 4.407 1.00 0.00 C ATOM 277 NE ARG A 20 -8.588 12.480 5.532 1.00 0.00 N ATOM 278 CZ ARG A 20 -9.079 11.488 6.224 1.00 0.00 C ATOM 279 NH1 ARG A 20 -9.007 10.283 5.727 1.00 0.00 N ATOM 280 NH2 ARG A 20 -9.621 11.730 7.386 1.00 0.00 N ATOM 0 H ARG A 20 -6.486 16.728 6.083 1.00 0.00 H new ATOM 0 HA ARG A 20 -8.319 17.143 3.770 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -7.474 14.920 3.967 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -7.656 14.895 5.710 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -10.121 14.788 5.521 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -10.049 15.049 3.789 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -10.359 12.611 4.350 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -8.875 12.885 3.458 1.00 0.00 H new ATOM 0 HE ARG A 20 -7.665 12.850 5.759 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -8.574 10.132 4.816 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -9.384 9.492 6.250 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -9.657 12.685 7.743 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -10.009 10.964 7.937 1.00 0.00 H new ATOM 294 N PRO A 21 -9.387 17.234 6.935 1.00 0.00 N ATOM 295 CA PRO A 21 -10.502 17.759 7.776 1.00 0.00 C ATOM 296 C PRO A 21 -10.779 19.232 7.458 1.00 0.00 C ATOM 297 O PRO A 21 -11.913 19.658 7.386 1.00 0.00 O ATOM 298 CB PRO A 21 -10.039 17.513 9.218 1.00 0.00 C ATOM 299 CG PRO A 21 -9.144 16.263 9.056 1.00 0.00 C ATOM 300 CD PRO A 21 -8.343 16.602 7.793 1.00 0.00 C ATOM 0 HA PRO A 21 -11.456 17.265 7.591 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -9.486 18.362 9.620 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -10.877 17.331 9.891 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -8.497 16.110 9.920 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -9.732 15.354 8.934 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -7.518 17.282 8.002 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -7.914 15.714 7.329 1.00 0.00 H new ATOM 308 N LYS A 22 -9.707 19.958 7.284 1.00 0.00 N ATOM 309 CA LYS A 22 -9.785 21.413 6.969 1.00 0.00 C ATOM 310 C LYS A 22 -10.611 21.752 5.716 1.00 0.00 C ATOM 311 O LYS A 22 -11.363 22.708 5.742 1.00 0.00 O ATOM 312 CB LYS A 22 -8.345 21.945 6.797 1.00 0.00 C ATOM 313 CG LYS A 22 -8.371 23.490 6.696 1.00 0.00 C ATOM 314 CD LYS A 22 -6.926 24.020 6.616 1.00 0.00 C ATOM 315 CE LYS A 22 -6.921 25.559 6.706 1.00 0.00 C ATOM 316 NZ LYS A 22 -7.689 26.172 5.584 1.00 0.00 N ATOM 0 H LYS A 22 -8.757 19.593 7.349 1.00 0.00 H new ATOM 0 HA LYS A 22 -10.305 21.891 7.799 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -7.729 21.636 7.641 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -7.894 21.519 5.901 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -8.933 23.799 5.815 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -8.879 23.914 7.562 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -6.330 23.599 7.426 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -6.464 23.701 5.681 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -7.352 25.871 7.657 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -5.894 25.923 6.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -7.528 27.199 5.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -7.372 25.763 4.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -8.703 25.982 5.713 1.00 0.00 H new ATOM 330 N ILE A 23 -10.492 20.978 4.660 1.00 0.00 N ATOM 331 CA ILE A 23 -11.287 21.321 3.438 1.00 0.00 C ATOM 332 C ILE A 23 -12.639 20.650 3.525 1.00 0.00 C ATOM 333 O ILE A 23 -13.645 21.181 3.106 1.00 0.00 O ATOM 334 CB ILE A 23 -10.528 20.856 2.151 1.00 0.00 C ATOM 335 CG1 ILE A 23 -9.911 19.433 2.310 1.00 0.00 C ATOM 336 CG2 ILE A 23 -9.427 21.903 1.844 1.00 0.00 C ATOM 337 CD1 ILE A 23 -9.433 18.901 0.946 1.00 0.00 C ATOM 0 H ILE A 23 -9.899 20.151 4.591 1.00 0.00 H new ATOM 0 HA ILE A 23 -11.422 22.401 3.381 1.00 0.00 H new ATOM 0 HB ILE A 23 -11.235 20.788 1.324 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -9.074 19.468 3.008 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -10.651 18.754 2.734 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -8.880 21.604 0.950 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -9.887 22.877 1.680 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -8.738 21.965 2.687 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -9.005 17.907 1.073 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -10.278 18.847 0.260 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -8.677 19.572 0.538 1.00 0.00 H new ATOM 349 N LYS A 24 -12.595 19.486 4.092 1.00 0.00 N ATOM 350 CA LYS A 24 -13.783 18.634 4.300 1.00 0.00 C ATOM 351 C LYS A 24 -14.743 19.345 5.271 1.00 0.00 C ATOM 352 O LYS A 24 -15.932 19.091 5.284 1.00 0.00 O ATOM 353 CB LYS A 24 -13.217 17.342 4.837 1.00 0.00 C ATOM 354 CG LYS A 24 -14.294 16.230 4.920 1.00 0.00 C ATOM 355 CD LYS A 24 -13.628 14.897 5.341 1.00 0.00 C ATOM 356 CE LYS A 24 -13.233 14.911 6.831 1.00 0.00 C ATOM 357 NZ LYS A 24 -14.445 14.804 7.696 1.00 0.00 N ATOM 0 H LYS A 24 -11.731 19.070 4.439 1.00 0.00 H new ATOM 0 HA LYS A 24 -14.372 18.440 3.404 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -12.400 17.009 4.196 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -12.796 17.514 5.827 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -15.064 16.508 5.640 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -14.787 16.114 3.955 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -14.313 14.071 5.153 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -12.742 14.722 4.730 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -12.555 14.084 7.041 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -12.695 15.830 7.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -14.155 14.662 8.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -15.003 15.678 7.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -15.023 13.997 7.385 1.00 0.00 H new ATOM 371 N GLY A 25 -14.164 20.228 6.049 1.00 0.00 N ATOM 372 CA GLY A 25 -14.923 21.018 7.058 1.00 0.00 C ATOM 373 C GLY A 25 -15.558 22.225 6.374 1.00 0.00 C ATOM 374 O GLY A 25 -16.699 22.551 6.633 1.00 0.00 O ATOM 0 H GLY A 25 -13.166 20.436 6.022 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -15.693 20.399 7.518 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -14.258 21.346 7.857 1.00 0.00 H new ATOM 378 N GLU A 26 -14.790 22.857 5.524 1.00 0.00 N ATOM 379 CA GLU A 26 -15.292 24.048 4.780 1.00 0.00 C ATOM 380 C GLU A 26 -16.401 23.653 3.797 1.00 0.00 C ATOM 381 O GLU A 26 -17.426 24.301 3.716 1.00 0.00 O ATOM 382 CB GLU A 26 -14.134 24.684 3.987 1.00 0.00 C ATOM 383 CG GLU A 26 -13.041 25.234 4.916 1.00 0.00 C ATOM 384 CD GLU A 26 -13.466 26.580 5.545 1.00 0.00 C ATOM 385 OE1 GLU A 26 -14.374 26.554 6.362 1.00 0.00 O ATOM 386 OE2 GLU A 26 -12.856 27.566 5.169 1.00 0.00 O ATOM 0 H GLU A 26 -13.827 22.595 5.313 1.00 0.00 H new ATOM 0 HA GLU A 26 -15.694 24.757 5.504 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -13.701 23.941 3.317 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -14.520 25.490 3.363 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -12.833 24.511 5.705 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -12.117 25.368 4.354 1.00 0.00 H new ATOM 393 N HIS A 27 -16.139 22.589 3.082 1.00 0.00 N ATOM 394 CA HIS A 27 -17.074 22.044 2.069 1.00 0.00 C ATOM 395 C HIS A 27 -17.365 20.571 2.394 1.00 0.00 C ATOM 396 O HIS A 27 -16.800 19.678 1.791 1.00 0.00 O ATOM 397 CB HIS A 27 -16.390 22.223 0.696 1.00 0.00 C ATOM 398 CG HIS A 27 -15.811 23.644 0.617 1.00 0.00 C ATOM 399 ND1 HIS A 27 -16.510 24.729 0.583 1.00 0.00 N ATOM 400 CD2 HIS A 27 -14.494 24.077 0.581 1.00 0.00 C ATOM 401 CE1 HIS A 27 -15.720 25.753 0.528 1.00 0.00 C ATOM 402 NE2 HIS A 27 -14.458 25.395 0.523 1.00 0.00 N ATOM 0 H HIS A 27 -15.273 22.057 3.169 1.00 0.00 H new ATOM 0 HA HIS A 27 -18.034 22.560 2.063 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -15.598 21.485 0.569 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -17.108 22.062 -0.108 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -13.628 23.432 0.598 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -16.059 26.778 0.491 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -13.636 25.998 0.483 1.00 0.00 H new ATOM 410 N PRO A 28 -18.241 20.345 3.349 1.00 0.00 N ATOM 411 CA PRO A 28 -18.810 18.999 3.624 1.00 0.00 C ATOM 412 C PRO A 28 -19.935 18.683 2.616 1.00 0.00 C ATOM 413 O PRO A 28 -20.898 18.008 2.929 1.00 0.00 O ATOM 414 CB PRO A 28 -19.272 19.119 5.071 1.00 0.00 C ATOM 415 CG PRO A 28 -19.820 20.570 5.110 1.00 0.00 C ATOM 416 CD PRO A 28 -18.772 21.369 4.287 1.00 0.00 C ATOM 0 HA PRO A 28 -18.116 18.167 3.505 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -20.040 18.385 5.317 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -18.453 18.972 5.775 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -20.814 20.637 4.668 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -19.899 20.943 6.131 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -19.226 22.206 3.757 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -17.988 21.781 4.922 1.00 0.00 H new ATOM 424 N GLY A 29 -19.746 19.201 1.428 1.00 0.00 N ATOM 425 CA GLY A 29 -20.703 19.019 0.307 1.00 0.00 C ATOM 426 C GLY A 29 -19.916 18.667 -0.961 1.00 0.00 C ATOM 427 O GLY A 29 -20.283 19.065 -2.048 1.00 0.00 O ATOM 0 H GLY A 29 -18.931 19.765 1.186 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -21.414 18.227 0.542 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -21.281 19.930 0.152 1.00 0.00 H new ATOM 431 N LEU A 30 -18.851 17.929 -0.765 1.00 0.00 N ATOM 432 CA LEU A 30 -17.974 17.490 -1.894 1.00 0.00 C ATOM 433 C LEU A 30 -18.275 16.005 -2.155 1.00 0.00 C ATOM 434 O LEU A 30 -19.036 15.706 -3.051 1.00 0.00 O ATOM 435 CB LEU A 30 -16.491 17.709 -1.476 1.00 0.00 C ATOM 436 CG LEU A 30 -16.091 19.202 -1.513 1.00 0.00 C ATOM 437 CD1 LEU A 30 -14.664 19.367 -0.947 1.00 0.00 C ATOM 438 CD2 LEU A 30 -16.129 19.791 -2.949 1.00 0.00 C ATOM 0 H LEU A 30 -18.546 17.605 0.153 1.00 0.00 H new ATOM 0 HA LEU A 30 -18.156 18.058 -2.806 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -16.337 17.318 -0.471 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -15.840 17.143 -2.142 1.00 0.00 H new ATOM 0 HG LEU A 30 -16.817 19.745 -0.908 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -14.382 20.419 -0.973 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -14.637 19.009 0.082 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -13.964 18.789 -1.550 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -15.840 20.842 -2.919 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -15.436 19.242 -3.586 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -17.138 19.704 -3.351 1.00 0.00 H new ATOM 450 N SER A 31 -17.660 15.167 -1.354 1.00 0.00 N ATOM 451 CA SER A 31 -17.752 13.659 -1.354 1.00 0.00 C ATOM 452 C SER A 31 -16.333 13.124 -1.240 1.00 0.00 C ATOM 453 O SER A 31 -15.394 13.880 -1.341 1.00 0.00 O ATOM 454 CB SER A 31 -18.335 13.064 -2.667 1.00 0.00 C ATOM 455 OG SER A 31 -19.731 13.317 -2.602 1.00 0.00 O ATOM 0 H SER A 31 -17.033 15.505 -0.624 1.00 0.00 H new ATOM 0 HA SER A 31 -18.412 13.378 -0.533 1.00 0.00 H new ATOM 0 HB2 SER A 31 -17.890 13.534 -3.544 1.00 0.00 H new ATOM 0 HB3 SER A 31 -18.131 11.996 -2.740 1.00 0.00 H new ATOM 0 HG SER A 31 -19.915 14.221 -2.931 1.00 0.00 H new ATOM 461 N ILE A 32 -16.198 11.838 -1.049 1.00 0.00 N ATOM 462 CA ILE A 32 -14.836 11.231 -0.929 1.00 0.00 C ATOM 463 C ILE A 32 -14.193 11.102 -2.319 1.00 0.00 C ATOM 464 O ILE A 32 -13.080 10.643 -2.480 1.00 0.00 O ATOM 465 CB ILE A 32 -15.026 9.873 -0.245 1.00 0.00 C ATOM 466 CG1 ILE A 32 -13.672 9.220 0.139 1.00 0.00 C ATOM 467 CG2 ILE A 32 -15.824 8.897 -1.155 1.00 0.00 C ATOM 468 CD1 ILE A 32 -12.864 10.121 1.100 1.00 0.00 C ATOM 0 H ILE A 32 -16.973 11.179 -0.971 1.00 0.00 H new ATOM 0 HA ILE A 32 -14.160 11.850 -0.339 1.00 0.00 H new ATOM 0 HB ILE A 32 -15.589 10.062 0.669 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -13.853 8.254 0.610 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -13.089 9.031 -0.762 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -15.945 7.941 -0.646 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -16.805 9.320 -1.370 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -15.282 8.745 -2.089 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -11.921 9.634 1.349 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -12.662 11.078 0.618 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -13.438 10.288 2.011 1.00 0.00 H new ATOM 480 N GLY A 33 -14.966 11.531 -3.272 1.00 0.00 N ATOM 481 CA GLY A 33 -14.565 11.518 -4.704 1.00 0.00 C ATOM 482 C GLY A 33 -14.313 12.953 -5.165 1.00 0.00 C ATOM 483 O GLY A 33 -13.793 13.163 -6.240 1.00 0.00 O ATOM 0 H GLY A 33 -15.900 11.907 -3.109 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -13.666 10.917 -4.837 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -15.347 11.060 -5.310 1.00 0.00 H new ATOM 487 N ASP A 34 -14.677 13.900 -4.336 1.00 0.00 N ATOM 488 CA ASP A 34 -14.497 15.347 -4.653 1.00 0.00 C ATOM 489 C ASP A 34 -13.353 15.846 -3.784 1.00 0.00 C ATOM 490 O ASP A 34 -12.449 16.503 -4.253 1.00 0.00 O ATOM 491 CB ASP A 34 -15.834 16.038 -4.355 1.00 0.00 C ATOM 492 CG ASP A 34 -16.776 15.878 -5.562 1.00 0.00 C ATOM 493 OD1 ASP A 34 -16.482 16.515 -6.563 1.00 0.00 O ATOM 494 OD2 ASP A 34 -17.730 15.130 -5.431 1.00 0.00 O ATOM 0 H ASP A 34 -15.104 13.722 -3.427 1.00 0.00 H new ATOM 0 HA ASP A 34 -14.242 15.550 -5.693 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -16.289 15.604 -3.465 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -15.670 17.095 -4.146 1.00 0.00 H new ATOM 499 N VAL A 35 -13.420 15.511 -2.527 1.00 0.00 N ATOM 500 CA VAL A 35 -12.369 15.910 -1.547 1.00 0.00 C ATOM 501 C VAL A 35 -11.068 15.249 -2.014 1.00 0.00 C ATOM 502 O VAL A 35 -9.998 15.727 -1.708 1.00 0.00 O ATOM 503 CB VAL A 35 -12.752 15.385 -0.144 1.00 0.00 C ATOM 504 CG1 VAL A 35 -11.593 15.565 0.876 1.00 0.00 C ATOM 505 CG2 VAL A 35 -13.967 16.148 0.396 1.00 0.00 C ATOM 0 H VAL A 35 -14.180 14.962 -2.126 1.00 0.00 H new ATOM 0 HA VAL A 35 -12.261 16.993 -1.490 1.00 0.00 H new ATOM 0 HB VAL A 35 -12.975 14.324 -0.257 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -11.902 15.184 1.849 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -10.717 15.015 0.532 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -11.346 16.623 0.963 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -14.225 15.768 1.384 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -13.728 17.209 0.466 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -14.812 16.010 -0.278 1.00 0.00 H new ATOM 515 N ALA A 36 -11.235 14.176 -2.747 1.00 0.00 N ATOM 516 CA ALA A 36 -10.115 13.376 -3.294 1.00 0.00 C ATOM 517 C ALA A 36 -9.735 13.843 -4.693 1.00 0.00 C ATOM 518 O ALA A 36 -8.567 13.901 -5.013 1.00 0.00 O ATOM 519 CB ALA A 36 -10.572 11.935 -3.308 1.00 0.00 C ATOM 0 H ALA A 36 -12.155 13.811 -2.996 1.00 0.00 H new ATOM 0 HA ALA A 36 -9.223 13.493 -2.678 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -9.776 11.305 -3.705 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -10.812 11.620 -2.293 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -11.458 11.840 -3.936 1.00 0.00 H new ATOM 525 N LYS A 37 -10.719 14.160 -5.495 1.00 0.00 N ATOM 526 CA LYS A 37 -10.439 14.633 -6.879 1.00 0.00 C ATOM 527 C LYS A 37 -9.944 16.095 -6.892 1.00 0.00 C ATOM 528 O LYS A 37 -9.317 16.528 -7.841 1.00 0.00 O ATOM 529 CB LYS A 37 -11.746 14.497 -7.689 1.00 0.00 C ATOM 530 CG LYS A 37 -11.638 15.209 -9.034 1.00 0.00 C ATOM 531 CD LYS A 37 -12.940 15.048 -9.843 1.00 0.00 C ATOM 532 CE LYS A 37 -12.846 15.926 -11.105 1.00 0.00 C ATOM 533 NZ LYS A 37 -12.744 17.362 -10.715 1.00 0.00 N ATOM 0 H LYS A 37 -11.707 14.111 -5.247 1.00 0.00 H new ATOM 0 HA LYS A 37 -9.645 14.031 -7.320 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -11.969 13.442 -7.850 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -12.576 14.915 -7.119 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -11.432 16.267 -8.875 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -10.800 14.802 -9.600 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -13.087 14.004 -10.119 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -13.799 15.343 -9.240 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -11.977 15.638 -11.696 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -13.724 15.772 -11.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -13.082 17.959 -11.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -13.326 17.535 -9.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -11.752 17.595 -10.505 1.00 0.00 H new ATOM 547 N LYS A 38 -10.209 16.801 -5.822 1.00 0.00 N ATOM 548 CA LYS A 38 -9.799 18.222 -5.744 1.00 0.00 C ATOM 549 C LYS A 38 -8.418 18.168 -5.172 1.00 0.00 C ATOM 550 O LYS A 38 -7.472 18.662 -5.738 1.00 0.00 O ATOM 551 CB LYS A 38 -10.761 18.983 -4.794 1.00 0.00 C ATOM 552 CG LYS A 38 -10.620 20.505 -4.992 1.00 0.00 C ATOM 553 CD LYS A 38 -11.284 20.905 -6.341 1.00 0.00 C ATOM 554 CE LYS A 38 -12.582 21.703 -6.087 1.00 0.00 C ATOM 555 NZ LYS A 38 -13.546 20.928 -5.250 1.00 0.00 N ATOM 0 H LYS A 38 -10.695 16.446 -4.998 1.00 0.00 H new ATOM 0 HA LYS A 38 -9.826 18.737 -6.704 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -11.790 18.679 -4.988 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -10.541 18.723 -3.759 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -11.094 21.037 -4.167 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -9.568 20.789 -4.992 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -10.591 21.504 -6.931 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -11.507 20.011 -6.923 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -12.341 22.643 -5.590 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -13.047 21.956 -7.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -14.500 21.327 -5.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -13.549 19.934 -5.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -13.261 20.983 -4.251 1.00 0.00 H new ATOM 569 N LEU A 39 -8.346 17.533 -4.047 1.00 0.00 N ATOM 570 CA LEU A 39 -7.067 17.379 -3.338 1.00 0.00 C ATOM 571 C LEU A 39 -6.050 16.575 -4.171 1.00 0.00 C ATOM 572 O LEU A 39 -4.859 16.799 -4.087 1.00 0.00 O ATOM 573 CB LEU A 39 -7.491 16.729 -2.079 1.00 0.00 C ATOM 574 CG LEU A 39 -6.375 16.462 -1.170 1.00 0.00 C ATOM 575 CD1 LEU A 39 -5.751 17.735 -0.562 1.00 0.00 C ATOM 576 CD2 LEU A 39 -6.938 15.558 -0.072 1.00 0.00 C ATOM 0 H LEU A 39 -9.145 17.104 -3.580 1.00 0.00 H new ATOM 0 HA LEU A 39 -6.528 18.308 -3.152 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -8.219 17.365 -1.575 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -7.995 15.791 -2.312 1.00 0.00 H new ATOM 0 HG LEU A 39 -5.560 15.994 -1.722 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.931 17.458 0.100 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -5.372 18.372 -1.361 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -6.508 18.276 0.005 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -6.150 15.320 0.643 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -7.751 16.072 0.441 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -7.314 14.637 -0.517 1.00 0.00 H new ATOM 588 N GLY A 40 -6.555 15.672 -4.968 1.00 0.00 N ATOM 589 CA GLY A 40 -5.674 14.822 -5.818 1.00 0.00 C ATOM 590 C GLY A 40 -5.134 15.687 -6.926 1.00 0.00 C ATOM 591 O GLY A 40 -3.993 15.571 -7.325 1.00 0.00 O ATOM 0 H GLY A 40 -7.553 15.486 -5.067 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -4.859 14.405 -5.227 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.234 13.981 -6.227 1.00 0.00 H new ATOM 595 N GLU A 41 -5.985 16.557 -7.395 1.00 0.00 N ATOM 596 CA GLU A 41 -5.575 17.465 -8.485 1.00 0.00 C ATOM 597 C GLU A 41 -4.533 18.447 -7.946 1.00 0.00 C ATOM 598 O GLU A 41 -3.463 18.571 -8.508 1.00 0.00 O ATOM 599 CB GLU A 41 -6.809 18.170 -8.953 1.00 0.00 C ATOM 600 CG GLU A 41 -6.465 19.108 -10.101 1.00 0.00 C ATOM 601 CD GLU A 41 -7.680 19.923 -10.608 1.00 0.00 C ATOM 602 OE1 GLU A 41 -8.770 19.762 -10.079 1.00 0.00 O ATOM 603 OE2 GLU A 41 -7.432 20.685 -11.529 1.00 0.00 O ATOM 0 H GLU A 41 -6.944 16.673 -7.067 1.00 0.00 H new ATOM 0 HA GLU A 41 -5.123 16.930 -9.320 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -7.553 17.443 -9.277 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -7.250 18.734 -8.131 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -5.684 19.796 -9.778 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -6.056 18.526 -10.927 1.00 0.00 H new ATOM 610 N MET A 42 -4.884 19.110 -6.869 1.00 0.00 N ATOM 611 CA MET A 42 -3.967 20.102 -6.239 1.00 0.00 C ATOM 612 C MET A 42 -2.623 19.464 -5.975 1.00 0.00 C ATOM 613 O MET A 42 -1.603 20.104 -6.115 1.00 0.00 O ATOM 614 CB MET A 42 -4.533 20.576 -4.939 1.00 0.00 C ATOM 615 CG MET A 42 -5.845 21.348 -5.181 1.00 0.00 C ATOM 616 SD MET A 42 -6.415 22.453 -3.865 1.00 0.00 S ATOM 617 CE MET A 42 -7.122 21.205 -2.761 1.00 0.00 C ATOM 0 H MET A 42 -5.781 19.001 -6.396 1.00 0.00 H new ATOM 0 HA MET A 42 -3.853 20.946 -6.920 1.00 0.00 H new ATOM 0 HB2 MET A 42 -4.718 19.726 -4.283 1.00 0.00 H new ATOM 0 HB3 MET A 42 -3.812 21.218 -4.433 1.00 0.00 H new ATOM 0 HG2 MET A 42 -5.726 21.939 -6.089 1.00 0.00 H new ATOM 0 HG3 MET A 42 -6.633 20.621 -5.375 1.00 0.00 H new ATOM 0 HE1 MET A 42 -7.564 21.695 -1.893 1.00 0.00 H new ATOM 0 HE2 MET A 42 -7.891 20.644 -3.291 1.00 0.00 H new ATOM 0 HE3 MET A 42 -6.337 20.523 -2.432 1.00 0.00 H new ATOM 627 N TRP A 43 -2.676 18.216 -5.581 1.00 0.00 N ATOM 628 CA TRP A 43 -1.427 17.473 -5.306 1.00 0.00 C ATOM 629 C TRP A 43 -0.593 17.500 -6.575 1.00 0.00 C ATOM 630 O TRP A 43 0.582 17.802 -6.525 1.00 0.00 O ATOM 631 CB TRP A 43 -1.793 16.063 -4.925 1.00 0.00 C ATOM 632 CG TRP A 43 -0.564 15.180 -5.090 1.00 0.00 C ATOM 633 CD1 TRP A 43 -0.388 14.301 -6.098 1.00 0.00 C ATOM 634 CD2 TRP A 43 0.494 15.140 -4.267 1.00 0.00 C ATOM 635 NE1 TRP A 43 0.782 13.777 -5.810 1.00 0.00 N ATOM 636 CE2 TRP A 43 1.406 14.209 -4.726 1.00 0.00 C ATOM 637 CE3 TRP A 43 0.743 15.858 -3.108 1.00 0.00 C ATOM 638 CZ2 TRP A 43 2.581 13.988 -4.018 1.00 0.00 C ATOM 639 CZ3 TRP A 43 1.916 15.638 -2.397 1.00 0.00 C ATOM 640 CH2 TRP A 43 2.840 14.702 -2.852 1.00 0.00 C ATOM 0 H TRP A 43 -3.536 17.686 -5.440 1.00 0.00 H new ATOM 0 HA TRP A 43 -0.855 17.915 -4.490 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -2.147 16.029 -3.895 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -2.606 15.700 -5.554 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -1.042 14.083 -6.930 1.00 0.00 H new ATOM 0 HE1 TRP A 43 1.197 13.059 -6.404 1.00 0.00 H new ATOM 0 HE3 TRP A 43 0.027 16.587 -2.758 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 3.295 13.260 -4.374 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 2.111 16.193 -1.491 1.00 0.00 H new ATOM 0 HH2 TRP A 43 3.754 14.531 -2.303 1.00 0.00 H new ATOM 651 N ASN A 44 -1.243 17.203 -7.671 1.00 0.00 N ATOM 652 CA ASN A 44 -0.498 17.198 -8.967 1.00 0.00 C ATOM 653 C ASN A 44 -0.008 18.608 -9.345 1.00 0.00 C ATOM 654 O ASN A 44 0.661 18.785 -10.344 1.00 0.00 O ATOM 655 CB ASN A 44 -1.417 16.627 -10.078 1.00 0.00 C ATOM 656 CG ASN A 44 -1.815 15.188 -9.711 1.00 0.00 C ATOM 657 OD1 ASN A 44 -3.078 14.858 -9.691 1.00 0.00 O flip ATOM 658 ND2 ASN A 44 -0.980 14.347 -9.443 1.00 0.00 N flip ATOM 0 H ASN A 44 -2.234 16.969 -7.727 1.00 0.00 H new ATOM 0 HA ASN A 44 0.385 16.568 -8.858 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -2.307 17.247 -10.186 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -0.900 16.641 -11.038 1.00 0.00 H new ATOM 0 HD21 ASN A 44 0.011 14.590 -9.455 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -1.270 13.398 -9.207 1.00 0.00 H new ATOM 665 N ASN A 45 -0.372 19.560 -8.517 1.00 0.00 N ATOM 666 CA ASN A 45 0.010 20.992 -8.710 1.00 0.00 C ATOM 667 C ASN A 45 0.455 21.614 -7.362 1.00 0.00 C ATOM 668 O ASN A 45 0.241 22.793 -7.144 1.00 0.00 O ATOM 669 CB ASN A 45 -1.201 21.776 -9.246 1.00 0.00 C ATOM 670 CG ASN A 45 -1.891 20.992 -10.364 1.00 0.00 C ATOM 671 OD1 ASN A 45 -3.104 20.571 -10.131 1.00 0.00 O flip ATOM 672 ND2 ASN A 45 -1.349 20.754 -11.426 1.00 0.00 N flip ATOM 0 H ASN A 45 -0.939 19.393 -7.686 1.00 0.00 H new ATOM 0 HA ASN A 45 0.835 21.044 -9.421 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -1.907 21.966 -8.437 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -0.877 22.747 -9.620 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -0.401 21.087 -11.600 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -1.843 20.222 -12.143 1.00 0.00 H new ATOM 679 N THR A 46 1.064 20.841 -6.489 1.00 0.00 N ATOM 680 CA THR A 46 1.498 21.421 -5.173 1.00 0.00 C ATOM 681 C THR A 46 2.782 22.224 -5.389 1.00 0.00 C ATOM 682 O THR A 46 2.904 23.340 -4.923 1.00 0.00 O ATOM 683 CB THR A 46 1.723 20.258 -4.138 1.00 0.00 C ATOM 684 OG1 THR A 46 2.058 20.918 -2.926 1.00 0.00 O ATOM 685 CG2 THR A 46 2.959 19.367 -4.394 1.00 0.00 C ATOM 0 H THR A 46 1.276 19.853 -6.626 1.00 0.00 H new ATOM 0 HA THR A 46 0.731 22.085 -4.776 1.00 0.00 H new ATOM 0 HB THR A 46 0.831 19.632 -4.168 1.00 0.00 H new ATOM 0 HG1 THR A 46 2.214 20.253 -2.223 1.00 0.00 H new ATOM 0 HG21 THR A 46 3.020 18.599 -3.623 1.00 0.00 H new ATOM 0 HG22 THR A 46 2.870 18.894 -5.372 1.00 0.00 H new ATOM 0 HG23 THR A 46 3.861 19.979 -4.368 1.00 0.00 H new ATOM 693 N ALA A 47 3.693 21.611 -6.093 1.00 0.00 N ATOM 694 CA ALA A 47 5.007 22.231 -6.410 1.00 0.00 C ATOM 695 C ALA A 47 5.798 21.258 -7.276 1.00 0.00 C ATOM 696 O ALA A 47 6.258 21.611 -8.343 1.00 0.00 O ATOM 697 CB ALA A 47 5.811 22.507 -5.119 1.00 0.00 C ATOM 0 H ALA A 47 3.574 20.672 -6.474 1.00 0.00 H new ATOM 0 HA ALA A 47 4.839 23.176 -6.927 1.00 0.00 H new ATOM 0 HB1 ALA A 47 6.768 22.960 -5.376 1.00 0.00 H new ATOM 0 HB2 ALA A 47 5.248 23.186 -4.478 1.00 0.00 H new ATOM 0 HB3 ALA A 47 5.984 21.569 -4.591 1.00 0.00 H new ATOM 703 N ALA A 48 5.903 20.066 -6.735 1.00 0.00 N ATOM 704 CA ALA A 48 6.627 18.887 -7.326 1.00 0.00 C ATOM 705 C ALA A 48 8.011 18.874 -6.657 1.00 0.00 C ATOM 706 O ALA A 48 8.800 17.974 -6.856 1.00 0.00 O ATOM 707 CB ALA A 48 6.843 18.999 -8.854 1.00 0.00 C ATOM 0 H ALA A 48 5.480 19.848 -5.833 1.00 0.00 H new ATOM 0 HA ALA A 48 6.034 17.988 -7.157 1.00 0.00 H new ATOM 0 HB1 ALA A 48 7.371 18.115 -9.213 1.00 0.00 H new ATOM 0 HB2 ALA A 48 5.877 19.073 -9.354 1.00 0.00 H new ATOM 0 HB3 ALA A 48 7.434 19.888 -9.074 1.00 0.00 H new ATOM 713 N ASP A 49 8.223 19.910 -5.882 1.00 0.00 N ATOM 714 CA ASP A 49 9.454 20.180 -5.103 1.00 0.00 C ATOM 715 C ASP A 49 9.048 20.091 -3.618 1.00 0.00 C ATOM 716 O ASP A 49 9.881 20.021 -2.735 1.00 0.00 O ATOM 717 CB ASP A 49 9.960 21.592 -5.449 1.00 0.00 C ATOM 718 CG ASP A 49 10.129 21.763 -6.977 1.00 0.00 C ATOM 719 OD1 ASP A 49 9.106 21.797 -7.647 1.00 0.00 O ATOM 720 OD2 ASP A 49 11.272 21.849 -7.392 1.00 0.00 O ATOM 0 H ASP A 49 7.519 20.637 -5.757 1.00 0.00 H new ATOM 0 HA ASP A 49 10.253 19.473 -5.325 1.00 0.00 H new ATOM 0 HB2 ASP A 49 9.258 22.336 -5.072 1.00 0.00 H new ATOM 0 HB3 ASP A 49 10.913 21.772 -4.952 1.00 0.00 H new ATOM 725 N ASP A 50 7.749 20.100 -3.425 1.00 0.00 N ATOM 726 CA ASP A 50 7.104 20.022 -2.081 1.00 0.00 C ATOM 727 C ASP A 50 6.454 18.626 -2.013 1.00 0.00 C ATOM 728 O ASP A 50 5.832 18.264 -1.036 1.00 0.00 O ATOM 729 CB ASP A 50 6.049 21.146 -1.989 1.00 0.00 C ATOM 730 CG ASP A 50 5.549 21.344 -0.542 1.00 0.00 C ATOM 731 OD1 ASP A 50 4.753 20.528 -0.102 1.00 0.00 O ATOM 732 OD2 ASP A 50 6.001 22.312 0.050 1.00 0.00 O ATOM 0 H ASP A 50 7.078 20.162 -4.191 1.00 0.00 H new ATOM 0 HA ASP A 50 7.802 20.152 -1.254 1.00 0.00 H new ATOM 0 HB2 ASP A 50 6.478 22.078 -2.356 1.00 0.00 H new ATOM 0 HB3 ASP A 50 5.205 20.907 -2.636 1.00 0.00 H new ATOM 737 N LYS A 51 6.631 17.872 -3.073 1.00 0.00 N ATOM 738 CA LYS A 51 6.061 16.503 -3.135 1.00 0.00 C ATOM 739 C LYS A 51 7.168 15.661 -2.568 1.00 0.00 C ATOM 740 O LYS A 51 6.895 14.877 -1.693 1.00 0.00 O ATOM 741 CB LYS A 51 5.807 16.013 -4.560 1.00 0.00 C ATOM 742 CG LYS A 51 4.574 16.669 -5.156 1.00 0.00 C ATOM 743 CD LYS A 51 4.291 15.960 -6.490 1.00 0.00 C ATOM 744 CE LYS A 51 3.033 16.529 -7.116 1.00 0.00 C ATOM 745 NZ LYS A 51 2.834 15.961 -8.477 1.00 0.00 N ATOM 0 H LYS A 51 7.152 18.157 -3.902 1.00 0.00 H new ATOM 0 HA LYS A 51 5.102 16.462 -2.619 1.00 0.00 H new ATOM 0 HB2 LYS A 51 6.675 16.231 -5.182 1.00 0.00 H new ATOM 0 HB3 LYS A 51 5.681 14.930 -4.558 1.00 0.00 H new ATOM 0 HG2 LYS A 51 3.723 16.576 -4.481 1.00 0.00 H new ATOM 0 HG3 LYS A 51 4.741 17.735 -5.313 1.00 0.00 H new ATOM 0 HD2 LYS A 51 5.135 16.088 -7.167 1.00 0.00 H new ATOM 0 HD3 LYS A 51 4.174 14.889 -6.326 1.00 0.00 H new ATOM 0 HE2 LYS A 51 2.171 16.301 -6.489 1.00 0.00 H new ATOM 0 HE3 LYS A 51 3.106 17.615 -7.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 2.529 16.714 -9.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 3.728 15.552 -8.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 2.105 15.220 -8.441 1.00 0.00 H new ATOM 759 N GLN A 52 8.361 15.845 -3.085 1.00 0.00 N ATOM 760 CA GLN A 52 9.552 15.076 -2.609 1.00 0.00 C ATOM 761 C GLN A 52 9.441 14.553 -1.153 1.00 0.00 C ATOM 762 O GLN A 52 9.499 13.359 -0.974 1.00 0.00 O ATOM 763 CB GLN A 52 10.818 15.983 -2.763 1.00 0.00 C ATOM 764 CG GLN A 52 11.536 15.655 -4.094 1.00 0.00 C ATOM 765 CD GLN A 52 10.764 16.238 -5.280 1.00 0.00 C ATOM 766 OE1 GLN A 52 11.062 17.323 -5.736 1.00 0.00 O ATOM 767 NE2 GLN A 52 9.777 15.563 -5.807 1.00 0.00 N ATOM 0 H GLN A 52 8.561 16.510 -3.832 1.00 0.00 H new ATOM 0 HA GLN A 52 9.622 14.181 -3.227 1.00 0.00 H new ATOM 0 HB2 GLN A 52 10.529 17.034 -2.744 1.00 0.00 H new ATOM 0 HB3 GLN A 52 11.496 15.824 -1.924 1.00 0.00 H new ATOM 0 HG2 GLN A 52 12.548 16.060 -4.077 1.00 0.00 H new ATOM 0 HG3 GLN A 52 11.627 14.575 -4.208 1.00 0.00 H new ATOM 0 HE21 GLN A 52 9.523 14.651 -5.427 1.00 0.00 H new ATOM 0 HE22 GLN A 52 9.261 15.948 -6.598 1.00 0.00 H new ATOM 776 N PRO A 53 9.278 15.405 -0.163 1.00 0.00 N ATOM 777 CA PRO A 53 9.086 14.994 1.263 1.00 0.00 C ATOM 778 C PRO A 53 8.099 13.837 1.484 1.00 0.00 C ATOM 779 O PRO A 53 8.370 12.895 2.202 1.00 0.00 O ATOM 780 CB PRO A 53 8.651 16.283 1.970 1.00 0.00 C ATOM 781 CG PRO A 53 8.182 17.194 0.810 1.00 0.00 C ATOM 782 CD PRO A 53 9.217 16.891 -0.273 1.00 0.00 C ATOM 0 HA PRO A 53 10.008 14.575 1.665 1.00 0.00 H new ATOM 0 HB2 PRO A 53 7.848 16.097 2.684 1.00 0.00 H new ATOM 0 HB3 PRO A 53 9.474 16.733 2.526 1.00 0.00 H new ATOM 0 HG2 PRO A 53 7.170 16.952 0.486 1.00 0.00 H new ATOM 0 HG3 PRO A 53 8.184 18.247 1.092 1.00 0.00 H new ATOM 0 HD2 PRO A 53 8.897 17.223 -1.260 1.00 0.00 H new ATOM 0 HD3 PRO A 53 10.179 17.364 -0.074 1.00 0.00 H new ATOM 790 N TYR A 54 6.976 13.975 0.835 1.00 0.00 N ATOM 791 CA TYR A 54 5.874 12.962 0.921 1.00 0.00 C ATOM 792 C TYR A 54 6.109 11.797 -0.053 1.00 0.00 C ATOM 793 O TYR A 54 6.039 10.639 0.315 1.00 0.00 O ATOM 794 CB TYR A 54 4.540 13.638 0.574 1.00 0.00 C ATOM 795 CG TYR A 54 4.236 14.822 1.503 1.00 0.00 C ATOM 796 CD1 TYR A 54 4.059 14.639 2.861 1.00 0.00 C ATOM 797 CD2 TYR A 54 4.129 16.097 0.983 1.00 0.00 C ATOM 798 CE1 TYR A 54 3.780 15.710 3.681 1.00 0.00 C ATOM 799 CE2 TYR A 54 3.851 17.170 1.803 1.00 0.00 C ATOM 800 CZ TYR A 54 3.673 16.983 3.158 1.00 0.00 C ATOM 801 OH TYR A 54 3.393 18.054 3.984 1.00 0.00 O ATOM 0 H TYR A 54 6.766 14.769 0.230 1.00 0.00 H new ATOM 0 HA TYR A 54 5.853 12.566 1.936 1.00 0.00 H new ATOM 0 HB2 TYR A 54 4.568 13.985 -0.459 1.00 0.00 H new ATOM 0 HB3 TYR A 54 3.734 12.907 0.643 1.00 0.00 H new ATOM 0 HD1 TYR A 54 4.140 13.648 3.283 1.00 0.00 H new ATOM 0 HD2 TYR A 54 4.264 16.255 -0.077 1.00 0.00 H new ATOM 0 HE1 TYR A 54 3.644 15.553 4.741 1.00 0.00 H new ATOM 0 HE2 TYR A 54 3.772 18.162 1.382 1.00 0.00 H new ATOM 0 HH TYR A 54 3.354 18.876 3.452 1.00 0.00 H new ATOM 811 N GLU A 55 6.377 12.153 -1.278 1.00 0.00 N ATOM 812 CA GLU A 55 6.633 11.157 -2.360 1.00 0.00 C ATOM 813 C GLU A 55 7.715 10.159 -1.943 1.00 0.00 C ATOM 814 O GLU A 55 7.495 8.967 -1.918 1.00 0.00 O ATOM 815 CB GLU A 55 7.052 11.940 -3.630 1.00 0.00 C ATOM 816 CG GLU A 55 6.173 11.530 -4.823 1.00 0.00 C ATOM 817 CD GLU A 55 6.619 12.297 -6.083 1.00 0.00 C ATOM 818 OE1 GLU A 55 7.748 12.077 -6.492 1.00 0.00 O ATOM 819 OE2 GLU A 55 5.804 13.066 -6.568 1.00 0.00 O ATOM 0 H GLU A 55 6.431 13.124 -1.585 1.00 0.00 H new ATOM 0 HA GLU A 55 5.732 10.576 -2.559 1.00 0.00 H new ATOM 0 HB2 GLU A 55 6.959 13.011 -3.452 1.00 0.00 H new ATOM 0 HB3 GLU A 55 8.100 11.744 -3.857 1.00 0.00 H new ATOM 0 HG2 GLU A 55 6.251 10.456 -4.992 1.00 0.00 H new ATOM 0 HG3 GLU A 55 5.126 11.744 -4.607 1.00 0.00 H new ATOM 826 N LYS A 56 8.858 10.704 -1.625 1.00 0.00 N ATOM 827 CA LYS A 56 10.050 9.921 -1.188 1.00 0.00 C ATOM 828 C LYS A 56 9.653 8.917 -0.097 1.00 0.00 C ATOM 829 O LYS A 56 10.167 7.818 -0.038 1.00 0.00 O ATOM 830 CB LYS A 56 11.101 10.913 -0.646 1.00 0.00 C ATOM 831 CG LYS A 56 12.475 10.255 -0.370 1.00 0.00 C ATOM 832 CD LYS A 56 13.210 9.992 -1.705 1.00 0.00 C ATOM 833 CE LYS A 56 14.602 9.412 -1.416 1.00 0.00 C ATOM 834 NZ LYS A 56 15.370 9.280 -2.688 1.00 0.00 N ATOM 0 H LYS A 56 9.020 11.711 -1.652 1.00 0.00 H new ATOM 0 HA LYS A 56 10.461 9.360 -2.027 1.00 0.00 H new ATOM 0 HB2 LYS A 56 11.231 11.723 -1.364 1.00 0.00 H new ATOM 0 HB3 LYS A 56 10.728 11.360 0.275 1.00 0.00 H new ATOM 0 HG2 LYS A 56 13.078 10.904 0.265 1.00 0.00 H new ATOM 0 HG3 LYS A 56 12.338 9.318 0.170 1.00 0.00 H new ATOM 0 HD2 LYS A 56 12.635 9.298 -2.319 1.00 0.00 H new ATOM 0 HD3 LYS A 56 13.301 10.919 -2.272 1.00 0.00 H new ATOM 0 HE2 LYS A 56 15.139 10.059 -0.722 1.00 0.00 H new ATOM 0 HE3 LYS A 56 14.507 8.438 -0.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 16.311 8.887 -2.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 14.862 8.645 -3.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 15.473 10.216 -3.130 1.00 0.00 H new ATOM 848 N LYS A 57 8.721 9.338 0.723 1.00 0.00 N ATOM 849 CA LYS A 57 8.246 8.470 1.840 1.00 0.00 C ATOM 850 C LYS A 57 7.508 7.286 1.220 1.00 0.00 C ATOM 851 O LYS A 57 7.918 6.153 1.376 1.00 0.00 O ATOM 852 CB LYS A 57 7.298 9.298 2.753 1.00 0.00 C ATOM 853 CG LYS A 57 7.288 8.720 4.187 1.00 0.00 C ATOM 854 CD LYS A 57 8.581 9.167 4.915 1.00 0.00 C ATOM 855 CE LYS A 57 8.658 8.519 6.307 1.00 0.00 C ATOM 856 NZ LYS A 57 8.829 7.042 6.177 1.00 0.00 N ATOM 0 H LYS A 57 8.268 10.250 0.664 1.00 0.00 H new ATOM 0 HA LYS A 57 9.075 8.107 2.447 1.00 0.00 H new ATOM 0 HB2 LYS A 57 7.622 10.338 2.776 1.00 0.00 H new ATOM 0 HB3 LYS A 57 6.288 9.288 2.343 1.00 0.00 H new ATOM 0 HG2 LYS A 57 6.410 9.070 4.729 1.00 0.00 H new ATOM 0 HG3 LYS A 57 7.230 7.632 4.155 1.00 0.00 H new ATOM 0 HD2 LYS A 57 9.454 8.886 4.326 1.00 0.00 H new ATOM 0 HD3 LYS A 57 8.597 10.253 5.010 1.00 0.00 H new ATOM 0 HE2 LYS A 57 9.492 8.941 6.868 1.00 0.00 H new ATOM 0 HE3 LYS A 57 7.751 8.740 6.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 9.180 6.653 7.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 7.914 6.606 5.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 9.512 6.837 5.420 1.00 0.00 H new ATOM 870 N ALA A 58 6.437 7.598 0.533 1.00 0.00 N ATOM 871 CA ALA A 58 5.610 6.547 -0.138 1.00 0.00 C ATOM 872 C ALA A 58 6.516 5.535 -0.859 1.00 0.00 C ATOM 873 O ALA A 58 6.389 4.339 -0.687 1.00 0.00 O ATOM 874 CB ALA A 58 4.666 7.219 -1.147 1.00 0.00 C ATOM 0 H ALA A 58 6.096 8.551 0.407 1.00 0.00 H new ATOM 0 HA ALA A 58 5.026 6.014 0.612 1.00 0.00 H new ATOM 0 HB1 ALA A 58 4.060 6.459 -1.640 1.00 0.00 H new ATOM 0 HB2 ALA A 58 4.015 7.920 -0.625 1.00 0.00 H new ATOM 0 HB3 ALA A 58 5.253 7.755 -1.893 1.00 0.00 H new ATOM 880 N ALA A 59 7.407 6.087 -1.647 1.00 0.00 N ATOM 881 CA ALA A 59 8.385 5.282 -2.436 1.00 0.00 C ATOM 882 C ALA A 59 9.136 4.318 -1.514 1.00 0.00 C ATOM 883 O ALA A 59 9.059 3.122 -1.700 1.00 0.00 O ATOM 884 CB ALA A 59 9.374 6.242 -3.133 1.00 0.00 C ATOM 0 H ALA A 59 7.497 7.095 -1.778 1.00 0.00 H new ATOM 0 HA ALA A 59 7.859 4.694 -3.188 1.00 0.00 H new ATOM 0 HB1 ALA A 59 10.094 5.665 -3.713 1.00 0.00 H new ATOM 0 HB2 ALA A 59 8.826 6.910 -3.797 1.00 0.00 H new ATOM 0 HB3 ALA A 59 9.901 6.830 -2.382 1.00 0.00 H new ATOM 890 N LYS A 60 9.836 4.868 -0.549 1.00 0.00 N ATOM 891 CA LYS A 60 10.618 4.053 0.425 1.00 0.00 C ATOM 892 C LYS A 60 9.781 2.878 0.929 1.00 0.00 C ATOM 893 O LYS A 60 10.233 1.751 0.914 1.00 0.00 O ATOM 894 CB LYS A 60 11.041 4.921 1.633 1.00 0.00 C ATOM 895 CG LYS A 60 12.244 4.213 2.316 1.00 0.00 C ATOM 896 CD LYS A 60 12.545 4.772 3.723 1.00 0.00 C ATOM 897 CE LYS A 60 11.537 4.200 4.740 1.00 0.00 C ATOM 898 NZ LYS A 60 11.952 4.574 6.122 1.00 0.00 N ATOM 0 H LYS A 60 9.896 5.875 -0.396 1.00 0.00 H new ATOM 0 HA LYS A 60 11.505 3.676 -0.084 1.00 0.00 H new ATOM 0 HB2 LYS A 60 11.320 5.923 1.307 1.00 0.00 H new ATOM 0 HB3 LYS A 60 10.213 5.033 2.334 1.00 0.00 H new ATOM 0 HG2 LYS A 60 12.037 3.145 2.391 1.00 0.00 H new ATOM 0 HG3 LYS A 60 13.129 4.323 1.689 1.00 0.00 H new ATOM 0 HD2 LYS A 60 13.561 4.511 4.018 1.00 0.00 H new ATOM 0 HD3 LYS A 60 12.486 5.860 3.712 1.00 0.00 H new ATOM 0 HE2 LYS A 60 10.538 4.585 4.533 1.00 0.00 H new ATOM 0 HE3 LYS A 60 11.486 3.115 4.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 11.271 4.187 6.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 12.897 4.186 6.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 11.978 5.610 6.208 1.00 0.00 H new ATOM 912 N LEU A 61 8.575 3.164 1.359 1.00 0.00 N ATOM 913 CA LEU A 61 7.721 2.047 1.864 1.00 0.00 C ATOM 914 C LEU A 61 7.461 1.024 0.760 1.00 0.00 C ATOM 915 O LEU A 61 7.847 -0.114 0.930 1.00 0.00 O ATOM 916 CB LEU A 61 6.414 2.651 2.391 1.00 0.00 C ATOM 917 CG LEU A 61 6.774 3.764 3.416 1.00 0.00 C ATOM 918 CD1 LEU A 61 5.494 4.258 4.060 1.00 0.00 C ATOM 919 CD2 LEU A 61 7.808 3.279 4.482 1.00 0.00 C ATOM 0 H LEU A 61 8.156 4.094 1.382 1.00 0.00 H new ATOM 0 HA LEU A 61 8.228 1.517 2.670 1.00 0.00 H new ATOM 0 HB2 LEU A 61 5.828 3.065 1.570 1.00 0.00 H new ATOM 0 HB3 LEU A 61 5.803 1.882 2.863 1.00 0.00 H new ATOM 0 HG LEU A 61 7.260 4.586 2.890 1.00 0.00 H new ATOM 0 HD11 LEU A 61 5.728 5.040 4.782 1.00 0.00 H new ATOM 0 HD12 LEU A 61 4.832 4.660 3.293 1.00 0.00 H new ATOM 0 HD13 LEU A 61 5.000 3.430 4.569 1.00 0.00 H new ATOM 0 HD21 LEU A 61 8.026 4.093 5.174 1.00 0.00 H new ATOM 0 HD22 LEU A 61 7.393 2.435 5.033 1.00 0.00 H new ATOM 0 HD23 LEU A 61 8.727 2.971 3.984 1.00 0.00 H new ATOM 931 N LYS A 62 6.837 1.422 -0.323 1.00 0.00 N ATOM 932 CA LYS A 62 6.564 0.460 -1.445 1.00 0.00 C ATOM 933 C LYS A 62 7.807 -0.414 -1.695 1.00 0.00 C ATOM 934 O LYS A 62 7.721 -1.618 -1.776 1.00 0.00 O ATOM 935 CB LYS A 62 6.207 1.257 -2.720 1.00 0.00 C ATOM 936 CG LYS A 62 6.075 0.263 -3.917 1.00 0.00 C ATOM 937 CD LYS A 62 5.440 0.948 -5.139 1.00 0.00 C ATOM 938 CE LYS A 62 3.936 1.158 -4.875 1.00 0.00 C ATOM 939 NZ LYS A 62 3.299 1.831 -6.040 1.00 0.00 N ATOM 0 H LYS A 62 6.503 2.373 -0.481 1.00 0.00 H new ATOM 0 HA LYS A 62 5.729 -0.188 -1.180 1.00 0.00 H new ATOM 0 HB2 LYS A 62 5.273 1.800 -2.576 1.00 0.00 H new ATOM 0 HB3 LYS A 62 6.978 1.999 -2.929 1.00 0.00 H new ATOM 0 HG2 LYS A 62 7.059 -0.123 -4.183 1.00 0.00 H new ATOM 0 HG3 LYS A 62 5.467 -0.591 -3.619 1.00 0.00 H new ATOM 0 HD2 LYS A 62 5.926 1.905 -5.328 1.00 0.00 H new ATOM 0 HD3 LYS A 62 5.584 0.336 -6.030 1.00 0.00 H new ATOM 0 HE2 LYS A 62 3.454 0.198 -4.692 1.00 0.00 H new ATOM 0 HE3 LYS A 62 3.797 1.760 -3.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 2.285 1.967 -5.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 3.749 2.755 -6.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 3.416 1.241 -6.888 1.00 0.00 H new