USER MOD reduce.3.24.130724 H: found=0, std=0, add=498, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 499 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 33 LYS NZ :NH3+ -143:sc= 0.245 (180deg=-0.35) USER MOD Set 1.2: A 35 ASN : amide:sc= -0.643 K(o=-0.4,f=-6.6!) USER MOD Single : A 5 SER OG : rot -33:sc= 0.484 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.203 USER MOD Single : A 16 LYS NZ :NH3+ 165:sc= -0.0121 (180deg=-0.185) USER MOD Single : A 24 CYS SG : rot 39:sc= 1.15 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00217) USER MOD Single : A 30 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 32 HIS : no HD1:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 163:sc= -0.0632 (180deg=-0.384) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -0.944 K(o=-0.94,f=-4.2!) USER MOD Single : A 53 TYR OH : rot 175:sc= 1.08 USER MOD Single : A 56 LYS NZ :NH3+ -165:sc= 0.462 (180deg=-0.0386) USER MOD Single : A 58 THR OG1 : rot -73:sc= 1.12 USER MOD Single : A 61 SER OG : rot 23:sc= 0.977 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 144:sc= 0.755 (180deg=-0.119!) USER MOD ----------------------------------------------------------------- ATOM 45 N SER A 5 -11.176 -2.175 4.186 1.00 0.00 N ATOM 46 CA SER A 5 -10.269 -1.221 3.601 1.00 0.00 C ATOM 47 C SER A 5 -9.783 -0.245 4.666 1.00 0.00 C ATOM 48 O SER A 5 -10.583 0.387 5.356 1.00 0.00 O ATOM 49 CB SER A 5 -11.006 -0.504 2.482 1.00 0.00 C ATOM 50 OG SER A 5 -12.333 -0.193 2.871 1.00 0.00 O ATOM 0 HA SER A 5 -9.389 -1.719 3.193 1.00 0.00 H new ATOM 0 HB2 SER A 5 -10.475 0.411 2.219 1.00 0.00 H new ATOM 0 HB3 SER A 5 -11.021 -1.131 1.590 1.00 0.00 H new ATOM 0 HG SER A 5 -12.668 -0.887 3.476 1.00 0.00 H new ATOM 56 N ARG A 6 -8.477 -0.127 4.790 1.00 0.00 N ATOM 57 CA ARG A 6 -7.871 0.627 5.876 1.00 0.00 C ATOM 58 C ARG A 6 -7.120 1.832 5.344 1.00 0.00 C ATOM 59 O ARG A 6 -7.032 2.027 4.141 1.00 0.00 O ATOM 60 CB ARG A 6 -6.929 -0.272 6.662 1.00 0.00 C ATOM 61 CG ARG A 6 -5.845 -0.910 5.814 1.00 0.00 C ATOM 62 CD ARG A 6 -5.559 -2.330 6.268 1.00 0.00 C ATOM 63 NE ARG A 6 -6.738 -3.192 6.130 1.00 0.00 N ATOM 64 CZ ARG A 6 -6.779 -4.469 6.506 1.00 0.00 C ATOM 65 NH1 ARG A 6 -5.749 -5.012 7.141 1.00 0.00 N ATOM 66 NH2 ARG A 6 -7.865 -5.192 6.268 1.00 0.00 N ATOM 0 H ARG A 6 -7.806 -0.547 4.147 1.00 0.00 H new ATOM 0 HA ARG A 6 -8.663 0.984 6.535 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -6.461 0.312 7.455 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -7.510 -1.058 7.145 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -6.153 -0.915 4.768 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -4.934 -0.315 5.876 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -4.737 -2.741 5.682 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -5.235 -2.321 7.309 1.00 0.00 H new ATOM 0 HE ARG A 6 -7.580 -2.788 5.720 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -4.921 -4.451 7.343 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -5.785 -5.990 7.427 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -8.666 -4.770 5.798 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -7.899 -6.170 6.555 1.00 0.00 H new ATOM 80 N LEU A 7 -6.557 2.617 6.244 1.00 0.00 N ATOM 81 CA LEU A 7 -5.926 3.859 5.882 1.00 0.00 C ATOM 82 C LEU A 7 -4.488 3.645 5.432 1.00 0.00 C ATOM 83 O LEU A 7 -3.632 3.223 6.210 1.00 0.00 O ATOM 84 CB LEU A 7 -5.981 4.804 7.070 1.00 0.00 C ATOM 85 CG LEU A 7 -7.072 5.872 7.007 1.00 0.00 C ATOM 86 CD1 LEU A 7 -7.042 6.734 8.252 1.00 0.00 C ATOM 87 CD2 LEU A 7 -6.899 6.736 5.772 1.00 0.00 C ATOM 0 H LEU A 7 -6.528 2.407 7.242 1.00 0.00 H new ATOM 0 HA LEU A 7 -6.463 4.295 5.039 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -6.125 4.214 7.975 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -5.015 5.300 7.163 1.00 0.00 H new ATOM 0 HG LEU A 7 -8.038 5.371 6.951 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -7.825 7.489 8.191 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -7.207 6.110 9.130 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -6.071 7.224 8.332 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -7.685 7.491 5.743 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -5.926 7.226 5.804 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -6.962 6.113 4.880 1.00 0.00 H new ATOM 99 N TRP A 8 -4.246 3.923 4.163 1.00 0.00 N ATOM 100 CA TRP A 8 -2.912 3.846 3.588 1.00 0.00 C ATOM 101 C TRP A 8 -2.300 5.232 3.536 1.00 0.00 C ATOM 102 O TRP A 8 -2.989 6.209 3.244 1.00 0.00 O ATOM 103 CB TRP A 8 -2.957 3.243 2.181 1.00 0.00 C ATOM 104 CG TRP A 8 -3.392 1.815 2.170 1.00 0.00 C ATOM 105 CD1 TRP A 8 -4.633 1.342 2.461 1.00 0.00 C ATOM 106 CD2 TRP A 8 -2.590 0.674 1.854 1.00 0.00 C ATOM 107 NE1 TRP A 8 -4.654 -0.023 2.362 1.00 0.00 N ATOM 108 CE2 TRP A 8 -3.413 -0.459 1.981 1.00 0.00 C ATOM 109 CE3 TRP A 8 -1.258 0.501 1.472 1.00 0.00 C ATOM 110 CZ2 TRP A 8 -2.946 -1.747 1.747 1.00 0.00 C ATOM 111 CZ3 TRP A 8 -0.795 -0.779 1.236 1.00 0.00 C ATOM 112 CH2 TRP A 8 -1.638 -1.888 1.372 1.00 0.00 C ATOM 0 H TRP A 8 -4.968 4.209 3.501 1.00 0.00 H new ATOM 0 HA TRP A 8 -2.300 3.199 4.217 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -3.637 3.829 1.563 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -1.969 3.319 1.728 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -5.480 1.955 2.731 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -5.462 -0.618 2.543 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -0.602 1.352 1.363 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -3.592 -2.605 1.857 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 0.234 -0.926 0.942 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -1.248 -2.876 1.177 1.00 0.00 H new ATOM 123 N VAL A 9 -1.016 5.313 3.828 1.00 0.00 N ATOM 124 CA VAL A 9 -0.315 6.589 3.864 1.00 0.00 C ATOM 125 C VAL A 9 0.891 6.545 2.934 1.00 0.00 C ATOM 126 O VAL A 9 1.517 5.497 2.778 1.00 0.00 O ATOM 127 CB VAL A 9 0.163 6.917 5.301 1.00 0.00 C ATOM 128 CG1 VAL A 9 0.810 8.293 5.367 1.00 0.00 C ATOM 129 CG2 VAL A 9 -0.988 6.823 6.288 1.00 0.00 C ATOM 0 H VAL A 9 -0.431 4.506 4.046 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.007 7.365 3.537 1.00 0.00 H new ATOM 0 HB VAL A 9 0.915 6.177 5.576 1.00 0.00 H new ATOM 0 HG11 VAL A 9 1.135 8.494 6.388 1.00 0.00 H new ATOM 0 HG12 VAL A 9 1.671 8.322 4.700 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.088 9.050 5.061 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -0.628 7.057 7.290 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -1.767 7.532 6.007 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -1.396 5.812 6.276 1.00 0.00 H new ATOM 139 N ASP A 10 1.203 7.662 2.291 1.00 0.00 N ATOM 140 CA ASP A 10 2.423 7.746 1.490 1.00 0.00 C ATOM 141 C ASP A 10 3.604 8.113 2.381 1.00 0.00 C ATOM 142 O ASP A 10 3.431 8.480 3.542 1.00 0.00 O ATOM 143 CB ASP A 10 2.284 8.780 0.381 1.00 0.00 C ATOM 144 CG ASP A 10 2.251 10.187 0.918 1.00 0.00 C ATOM 145 OD1 ASP A 10 1.271 10.538 1.588 1.00 0.00 O ATOM 146 OD2 ASP A 10 3.218 10.942 0.688 1.00 0.00 O ATOM 0 H ASP A 10 0.640 8.512 2.305 1.00 0.00 H new ATOM 0 HA ASP A 10 2.594 6.771 1.033 1.00 0.00 H new ATOM 0 HB2 ASP A 10 3.116 8.678 -0.315 1.00 0.00 H new ATOM 0 HB3 ASP A 10 1.371 8.586 -0.182 1.00 0.00 H new ATOM 151 N ARG A 11 4.804 8.033 1.821 1.00 0.00 N ATOM 152 CA ARG A 11 6.027 8.195 2.592 1.00 0.00 C ATOM 153 C ARG A 11 6.283 9.659 2.940 1.00 0.00 C ATOM 154 O ARG A 11 7.106 9.963 3.799 1.00 0.00 O ATOM 155 CB ARG A 11 7.198 7.634 1.799 1.00 0.00 C ATOM 156 CG ARG A 11 8.369 7.213 2.662 1.00 0.00 C ATOM 157 CD ARG A 11 9.375 6.427 1.851 1.00 0.00 C ATOM 158 NE ARG A 11 10.038 7.257 0.848 1.00 0.00 N ATOM 159 CZ ARG A 11 10.790 6.778 -0.142 1.00 0.00 C ATOM 160 NH1 ARG A 11 10.897 5.468 -0.332 1.00 0.00 N ATOM 161 NH2 ARG A 11 11.419 7.616 -0.955 1.00 0.00 N ATOM 0 H ARG A 11 4.955 7.856 0.828 1.00 0.00 H new ATOM 0 HA ARG A 11 5.917 7.650 3.529 1.00 0.00 H new ATOM 0 HB2 ARG A 11 6.856 6.775 1.221 1.00 0.00 H new ATOM 0 HB3 ARG A 11 7.535 8.385 1.085 1.00 0.00 H new ATOM 0 HG2 ARG A 11 8.848 8.094 3.089 1.00 0.00 H new ATOM 0 HG3 ARG A 11 8.014 6.607 3.496 1.00 0.00 H new ATOM 0 HD2 ARG A 11 10.123 5.998 2.518 1.00 0.00 H new ATOM 0 HD3 ARG A 11 8.872 5.595 1.358 1.00 0.00 H new ATOM 0 HE ARG A 11 9.917 8.268 0.910 1.00 0.00 H new ATOM 0 HH11 ARG A 11 10.402 4.821 0.282 1.00 0.00 H new ATOM 0 HH12 ARG A 11 11.474 5.108 -1.092 1.00 0.00 H new ATOM 0 HH21 ARG A 11 11.326 8.623 -0.821 1.00 0.00 H new ATOM 0 HH22 ARG A 11 11.996 7.254 -1.714 1.00 0.00 H new ATOM 175 N SER A 12 5.579 10.565 2.277 1.00 0.00 N ATOM 176 CA SER A 12 5.760 11.987 2.520 1.00 0.00 C ATOM 177 C SER A 12 4.692 12.525 3.472 1.00 0.00 C ATOM 178 O SER A 12 4.841 13.604 4.044 1.00 0.00 O ATOM 179 CB SER A 12 5.716 12.759 1.201 1.00 0.00 C ATOM 180 OG SER A 12 6.600 12.189 0.247 1.00 0.00 O ATOM 0 H SER A 12 4.880 10.341 1.569 1.00 0.00 H new ATOM 0 HA SER A 12 6.736 12.126 2.986 1.00 0.00 H new ATOM 0 HB2 SER A 12 4.700 12.756 0.807 1.00 0.00 H new ATOM 0 HB3 SER A 12 5.987 13.800 1.376 1.00 0.00 H new ATOM 0 HG SER A 12 6.553 12.699 -0.588 1.00 0.00 H new ATOM 186 N GLY A 13 3.620 11.759 3.645 1.00 0.00 N ATOM 187 CA GLY A 13 2.526 12.189 4.494 1.00 0.00 C ATOM 188 C GLY A 13 1.623 13.176 3.785 1.00 0.00 C ATOM 189 O GLY A 13 1.102 14.113 4.390 1.00 0.00 O ATOM 0 H GLY A 13 3.490 10.845 3.211 1.00 0.00 H new ATOM 0 HA2 GLY A 13 1.944 11.322 4.805 1.00 0.00 H new ATOM 0 HA3 GLY A 13 2.926 12.646 5.399 1.00 0.00 H new ATOM 193 N THR A 14 1.436 12.943 2.498 1.00 0.00 N ATOM 194 CA THR A 14 0.682 13.835 1.644 1.00 0.00 C ATOM 195 C THR A 14 -0.744 13.324 1.454 1.00 0.00 C ATOM 196 O THR A 14 -1.694 14.110 1.419 1.00 0.00 O ATOM 197 CB THR A 14 1.373 13.972 0.274 1.00 0.00 C ATOM 198 OG1 THR A 14 2.777 14.185 0.470 1.00 0.00 O ATOM 199 CG2 THR A 14 0.789 15.129 -0.526 1.00 0.00 C ATOM 0 H THR A 14 1.806 12.124 2.016 1.00 0.00 H new ATOM 0 HA THR A 14 0.642 14.813 2.124 1.00 0.00 H new ATOM 0 HB THR A 14 1.208 13.053 -0.288 1.00 0.00 H new ATOM 0 HG1 THR A 14 3.219 14.271 -0.400 1.00 0.00 H new ATOM 0 HG21 THR A 14 1.297 15.200 -1.488 1.00 0.00 H new ATOM 0 HG22 THR A 14 -0.275 14.958 -0.690 1.00 0.00 H new ATOM 0 HG23 THR A 14 0.926 16.059 0.026 1.00 0.00 H new ATOM 207 N PHE A 15 -0.898 12.009 1.346 1.00 0.00 N ATOM 208 CA PHE A 15 -2.216 11.425 1.174 1.00 0.00 C ATOM 209 C PHE A 15 -2.418 10.188 2.031 1.00 0.00 C ATOM 210 O PHE A 15 -1.543 9.326 2.142 1.00 0.00 O ATOM 211 CB PHE A 15 -2.518 11.118 -0.303 1.00 0.00 C ATOM 212 CG PHE A 15 -1.486 10.285 -1.021 1.00 0.00 C ATOM 213 CD1 PHE A 15 -1.529 8.894 -0.983 1.00 0.00 C ATOM 214 CD2 PHE A 15 -0.488 10.897 -1.762 1.00 0.00 C ATOM 215 CE1 PHE A 15 -0.594 8.140 -1.664 1.00 0.00 C ATOM 216 CE2 PHE A 15 0.446 10.146 -2.447 1.00 0.00 C ATOM 217 CZ PHE A 15 0.394 8.767 -2.398 1.00 0.00 C ATOM 0 H PHE A 15 -0.132 11.336 1.375 1.00 0.00 H new ATOM 0 HA PHE A 15 -2.927 12.177 1.515 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -3.477 10.603 -0.359 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -2.631 12.062 -0.836 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -2.302 8.399 -0.414 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -0.440 11.975 -1.804 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -0.635 7.062 -1.623 1.00 0.00 H new ATOM 0 HE2 PHE A 15 1.218 10.637 -3.021 1.00 0.00 H new ATOM 0 HZ PHE A 15 1.125 8.179 -2.933 1.00 0.00 H new ATOM 227 N LYS A 16 -3.581 10.139 2.665 1.00 0.00 N ATOM 228 CA LYS A 16 -4.013 8.973 3.408 1.00 0.00 C ATOM 229 C LYS A 16 -5.413 8.603 2.947 1.00 0.00 C ATOM 230 O LYS A 16 -6.294 9.465 2.883 1.00 0.00 O ATOM 231 CB LYS A 16 -4.020 9.252 4.913 1.00 0.00 C ATOM 232 CG LYS A 16 -2.744 9.897 5.427 1.00 0.00 C ATOM 233 CD LYS A 16 -2.771 10.062 6.937 1.00 0.00 C ATOM 234 CE LYS A 16 -1.599 10.896 7.429 1.00 0.00 C ATOM 235 NZ LYS A 16 -1.734 12.320 7.031 1.00 0.00 N ATOM 0 H LYS A 16 -4.249 10.909 2.676 1.00 0.00 H new ATOM 0 HA LYS A 16 -3.320 8.152 3.224 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -4.863 9.901 5.148 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -4.181 8.315 5.445 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -1.887 9.287 5.142 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -2.613 10.871 4.956 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -3.706 10.536 7.235 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -2.745 9.081 7.411 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -1.533 10.826 8.515 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -0.670 10.492 7.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -1.071 12.899 7.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -1.519 12.419 6.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -2.707 12.640 7.211 1.00 0.00 H new ATOM 249 N VAL A 17 -5.624 7.336 2.626 1.00 0.00 N ATOM 250 CA VAL A 17 -6.915 6.894 2.104 1.00 0.00 C ATOM 251 C VAL A 17 -7.270 5.500 2.570 1.00 0.00 C ATOM 252 O VAL A 17 -6.401 4.648 2.735 1.00 0.00 O ATOM 253 CB VAL A 17 -6.963 6.905 0.561 1.00 0.00 C ATOM 254 CG1 VAL A 17 -7.542 8.213 0.058 1.00 0.00 C ATOM 255 CG2 VAL A 17 -5.583 6.660 -0.033 1.00 0.00 C ATOM 0 H VAL A 17 -4.926 6.598 2.715 1.00 0.00 H new ATOM 0 HA VAL A 17 -7.638 7.610 2.495 1.00 0.00 H new ATOM 0 HB VAL A 17 -7.613 6.093 0.236 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -7.569 8.204 -1.032 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -8.554 8.336 0.445 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -6.920 9.041 0.399 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -5.648 6.673 -1.121 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -4.900 7.442 0.299 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -5.212 5.690 0.297 1.00 0.00 H new ATOM 265 N ASP A 18 -8.559 5.278 2.774 1.00 0.00 N ATOM 266 CA ASP A 18 -9.052 3.965 3.160 1.00 0.00 C ATOM 267 C ASP A 18 -9.197 3.100 1.932 1.00 0.00 C ATOM 268 O ASP A 18 -9.942 3.424 1.005 1.00 0.00 O ATOM 269 CB ASP A 18 -10.402 4.044 3.868 1.00 0.00 C ATOM 270 CG ASP A 18 -10.386 4.913 5.107 1.00 0.00 C ATOM 271 OD1 ASP A 18 -10.532 6.145 4.974 1.00 0.00 O ATOM 272 OD2 ASP A 18 -10.253 4.365 6.221 1.00 0.00 O ATOM 0 H ASP A 18 -9.283 5.990 2.679 1.00 0.00 H new ATOM 0 HA ASP A 18 -8.329 3.535 3.853 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -11.146 4.432 3.172 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -10.718 3.038 4.144 1.00 0.00 H new ATOM 277 N ALA A 19 -8.481 2.003 1.944 1.00 0.00 N ATOM 278 CA ALA A 19 -8.450 1.087 0.828 1.00 0.00 C ATOM 279 C ALA A 19 -7.893 -0.250 1.278 1.00 0.00 C ATOM 280 O ALA A 19 -7.304 -0.355 2.352 1.00 0.00 O ATOM 281 CB ALA A 19 -7.609 1.659 -0.305 1.00 0.00 C ATOM 0 H ALA A 19 -7.900 1.718 2.732 1.00 0.00 H new ATOM 0 HA ALA A 19 -9.466 0.942 0.460 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -7.596 0.957 -1.139 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -8.038 2.605 -0.635 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -6.590 1.825 0.046 1.00 0.00 H new ATOM 287 N GLU A 20 -8.116 -1.277 0.494 1.00 0.00 N ATOM 288 CA GLU A 20 -7.521 -2.565 0.777 1.00 0.00 C ATOM 289 C GLU A 20 -6.714 -3.022 -0.422 1.00 0.00 C ATOM 290 O GLU A 20 -7.139 -2.851 -1.567 1.00 0.00 O ATOM 291 CB GLU A 20 -8.588 -3.595 1.137 1.00 0.00 C ATOM 292 CG GLU A 20 -8.283 -4.339 2.430 1.00 0.00 C ATOM 293 CD GLU A 20 -6.998 -5.143 2.365 1.00 0.00 C ATOM 294 OE1 GLU A 20 -5.906 -4.546 2.480 1.00 0.00 O ATOM 295 OE2 GLU A 20 -7.081 -6.381 2.206 1.00 0.00 O ATOM 0 H GLU A 20 -8.701 -1.249 -0.341 1.00 0.00 H new ATOM 0 HA GLU A 20 -6.859 -2.466 1.637 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -9.552 -3.094 1.231 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -8.680 -4.314 0.323 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -8.215 -3.621 3.248 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -9.112 -5.008 2.661 1.00 0.00 H new ATOM 302 N PHE A 21 -5.550 -3.583 -0.155 1.00 0.00 N ATOM 303 CA PHE A 21 -4.656 -4.017 -1.218 1.00 0.00 C ATOM 304 C PHE A 21 -5.221 -5.242 -1.923 1.00 0.00 C ATOM 305 O PHE A 21 -5.503 -6.269 -1.303 1.00 0.00 O ATOM 306 CB PHE A 21 -3.233 -4.276 -0.687 1.00 0.00 C ATOM 307 CG PHE A 21 -2.441 -5.237 -1.533 1.00 0.00 C ATOM 308 CD1 PHE A 21 -1.770 -4.803 -2.663 1.00 0.00 C ATOM 309 CD2 PHE A 21 -2.386 -6.583 -1.207 1.00 0.00 C ATOM 310 CE1 PHE A 21 -1.055 -5.684 -3.442 1.00 0.00 C ATOM 311 CE2 PHE A 21 -1.673 -7.469 -1.988 1.00 0.00 C ATOM 312 CZ PHE A 21 -1.011 -7.019 -3.108 1.00 0.00 C ATOM 0 H PHE A 21 -5.199 -3.750 0.788 1.00 0.00 H new ATOM 0 HA PHE A 21 -4.582 -3.212 -1.949 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -2.697 -3.328 -0.630 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -3.298 -4.667 0.328 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -1.808 -3.759 -2.937 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -2.907 -6.942 -0.332 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -0.528 -5.328 -4.315 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -1.634 -8.515 -1.721 1.00 0.00 H new ATOM 0 HZ PHE A 21 -0.458 -7.712 -3.724 1.00 0.00 H new ATOM 322 N ILE A 22 -5.401 -5.114 -3.226 1.00 0.00 N ATOM 323 CA ILE A 22 -5.959 -6.184 -4.026 1.00 0.00 C ATOM 324 C ILE A 22 -4.854 -6.925 -4.765 1.00 0.00 C ATOM 325 O ILE A 22 -4.754 -8.150 -4.700 1.00 0.00 O ATOM 326 CB ILE A 22 -6.971 -5.644 -5.060 1.00 0.00 C ATOM 327 CG1 ILE A 22 -7.377 -4.205 -4.735 1.00 0.00 C ATOM 328 CG2 ILE A 22 -8.204 -6.529 -5.089 1.00 0.00 C ATOM 329 CD1 ILE A 22 -8.247 -3.569 -5.798 1.00 0.00 C ATOM 0 H ILE A 22 -5.166 -4.273 -3.753 1.00 0.00 H new ATOM 0 HA ILE A 22 -6.474 -6.863 -3.346 1.00 0.00 H new ATOM 0 HB ILE A 22 -6.492 -5.653 -6.039 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -7.910 -4.192 -3.784 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -6.478 -3.603 -4.604 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -8.913 -6.141 -5.821 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -7.917 -7.544 -5.364 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -8.669 -6.538 -4.103 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -8.497 -2.550 -5.502 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -7.708 -3.550 -6.745 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -9.163 -4.148 -5.913 1.00 0.00 H new ATOM 341 N GLY A 23 -4.018 -6.164 -5.455 1.00 0.00 N ATOM 342 CA GLY A 23 -2.948 -6.743 -6.239 1.00 0.00 C ATOM 343 C GLY A 23 -1.873 -5.725 -6.546 1.00 0.00 C ATOM 344 O GLY A 23 -2.139 -4.527 -6.567 1.00 0.00 O ATOM 0 H GLY A 23 -4.063 -5.145 -5.485 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -2.512 -7.582 -5.697 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -3.352 -7.140 -7.171 1.00 0.00 H new ATOM 348 N CYS A 24 -0.661 -6.191 -6.771 1.00 0.00 N ATOM 349 CA CYS A 24 0.462 -5.307 -7.025 1.00 0.00 C ATOM 350 C CYS A 24 1.072 -5.611 -8.393 1.00 0.00 C ATOM 351 O CYS A 24 1.192 -6.776 -8.780 1.00 0.00 O ATOM 352 CB CYS A 24 1.497 -5.456 -5.902 1.00 0.00 C ATOM 353 SG CYS A 24 3.061 -4.596 -6.188 1.00 0.00 S ATOM 0 H CYS A 24 -0.426 -7.184 -6.783 1.00 0.00 H new ATOM 0 HA CYS A 24 0.119 -4.272 -7.038 1.00 0.00 H new ATOM 0 HB2 CYS A 24 1.060 -5.086 -4.974 1.00 0.00 H new ATOM 0 HB3 CYS A 24 1.704 -6.516 -5.757 1.00 0.00 H new ATOM 0 HG CYS A 24 2.829 -3.450 -6.756 1.00 0.00 H new ATOM 359 N ALA A 25 1.431 -4.568 -9.139 1.00 0.00 N ATOM 360 CA ALA A 25 1.935 -4.747 -10.489 1.00 0.00 C ATOM 361 C ALA A 25 2.932 -3.656 -10.849 1.00 0.00 C ATOM 362 O ALA A 25 2.670 -2.474 -10.627 1.00 0.00 O ATOM 363 CB ALA A 25 0.786 -4.752 -11.486 1.00 0.00 C ATOM 0 H ALA A 25 1.381 -3.597 -8.829 1.00 0.00 H new ATOM 0 HA ALA A 25 2.448 -5.708 -10.532 1.00 0.00 H new ATOM 0 HB1 ALA A 25 1.179 -4.887 -12.494 1.00 0.00 H new ATOM 0 HB2 ALA A 25 0.103 -5.568 -11.250 1.00 0.00 H new ATOM 0 HB3 ALA A 25 0.251 -3.804 -11.429 1.00 0.00 H new ATOM 369 N LYS A 26 4.081 -4.072 -11.380 1.00 0.00 N ATOM 370 CA LYS A 26 5.116 -3.155 -11.868 1.00 0.00 C ATOM 371 C LYS A 26 5.580 -2.178 -10.790 1.00 0.00 C ATOM 372 O LYS A 26 6.040 -1.077 -11.093 1.00 0.00 O ATOM 373 CB LYS A 26 4.615 -2.391 -13.099 1.00 0.00 C ATOM 374 CG LYS A 26 4.370 -3.287 -14.308 1.00 0.00 C ATOM 375 CD LYS A 26 5.639 -4.025 -14.706 1.00 0.00 C ATOM 376 CE LYS A 26 5.419 -4.952 -15.891 1.00 0.00 C ATOM 377 NZ LYS A 26 6.669 -5.674 -16.251 1.00 0.00 N ATOM 0 H LYS A 26 4.323 -5.057 -11.485 1.00 0.00 H new ATOM 0 HA LYS A 26 5.978 -3.761 -12.147 1.00 0.00 H new ATOM 0 HB2 LYS A 26 3.689 -1.874 -12.845 1.00 0.00 H new ATOM 0 HB3 LYS A 26 5.345 -1.626 -13.365 1.00 0.00 H new ATOM 0 HG2 LYS A 26 3.584 -4.006 -14.079 1.00 0.00 H new ATOM 0 HG3 LYS A 26 4.017 -2.685 -15.146 1.00 0.00 H new ATOM 0 HD2 LYS A 26 6.416 -3.301 -14.953 1.00 0.00 H new ATOM 0 HD3 LYS A 26 6.002 -4.604 -13.857 1.00 0.00 H new ATOM 0 HE2 LYS A 26 4.636 -5.672 -15.652 1.00 0.00 H new ATOM 0 HE3 LYS A 26 5.070 -4.375 -16.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 6.488 -6.299 -17.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 7.407 -4.986 -16.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 6.987 -6.243 -15.441 1.00 0.00 H new ATOM 391 N GLY A 27 5.468 -2.586 -9.535 1.00 0.00 N ATOM 392 CA GLY A 27 5.903 -1.740 -8.441 1.00 0.00 C ATOM 393 C GLY A 27 4.781 -0.892 -7.875 1.00 0.00 C ATOM 394 O GLY A 27 4.988 -0.134 -6.932 1.00 0.00 O ATOM 0 H GLY A 27 5.084 -3.488 -9.253 1.00 0.00 H new ATOM 0 HA2 GLY A 27 6.318 -2.363 -7.648 1.00 0.00 H new ATOM 0 HA3 GLY A 27 6.706 -1.089 -8.788 1.00 0.00 H new ATOM 398 N LYS A 28 3.594 -1.004 -8.453 1.00 0.00 N ATOM 399 CA LYS A 28 2.440 -0.267 -7.958 1.00 0.00 C ATOM 400 C LYS A 28 1.511 -1.179 -7.184 1.00 0.00 C ATOM 401 O LYS A 28 1.524 -2.394 -7.362 1.00 0.00 O ATOM 402 CB LYS A 28 1.659 0.367 -9.098 1.00 0.00 C ATOM 403 CG LYS A 28 2.445 1.373 -9.905 1.00 0.00 C ATOM 404 CD LYS A 28 1.538 2.108 -10.874 1.00 0.00 C ATOM 405 CE LYS A 28 2.207 3.343 -11.454 1.00 0.00 C ATOM 406 NZ LYS A 28 3.402 3.016 -12.276 1.00 0.00 N ATOM 0 H LYS A 28 3.405 -1.596 -9.262 1.00 0.00 H new ATOM 0 HA LYS A 28 2.819 0.517 -7.302 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.307 -0.421 -9.764 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.775 0.857 -8.689 1.00 0.00 H new ATOM 0 HG2 LYS A 28 2.926 2.087 -9.237 1.00 0.00 H new ATOM 0 HG3 LYS A 28 3.238 0.866 -10.455 1.00 0.00 H new ATOM 0 HD2 LYS A 28 1.252 1.436 -11.684 1.00 0.00 H new ATOM 0 HD3 LYS A 28 0.621 2.399 -10.362 1.00 0.00 H new ATOM 0 HE2 LYS A 28 1.488 3.887 -12.066 1.00 0.00 H new ATOM 0 HE3 LYS A 28 2.501 4.007 -10.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 3.809 3.892 -12.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 4.110 2.536 -11.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 3.124 2.391 -13.059 1.00 0.00 H new ATOM 420 N ILE A 29 0.694 -0.577 -6.347 1.00 0.00 N ATOM 421 CA ILE A 29 -0.252 -1.302 -5.528 1.00 0.00 C ATOM 422 C ILE A 29 -1.680 -0.918 -5.910 1.00 0.00 C ATOM 423 O ILE A 29 -2.040 0.258 -5.893 1.00 0.00 O ATOM 424 CB ILE A 29 -0.012 -0.993 -4.035 1.00 0.00 C ATOM 425 CG1 ILE A 29 1.391 -1.448 -3.622 1.00 0.00 C ATOM 426 CG2 ILE A 29 -1.065 -1.664 -3.170 1.00 0.00 C ATOM 427 CD1 ILE A 29 1.802 -0.982 -2.242 1.00 0.00 C ATOM 0 H ILE A 29 0.668 0.434 -6.215 1.00 0.00 H new ATOM 0 HA ILE A 29 -0.112 -2.370 -5.697 1.00 0.00 H new ATOM 0 HB ILE A 29 -0.089 0.084 -3.888 1.00 0.00 H new ATOM 0 HG12 ILE A 29 1.435 -2.537 -3.656 1.00 0.00 H new ATOM 0 HG13 ILE A 29 2.112 -1.077 -4.350 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -0.876 -1.433 -2.122 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -2.053 -1.298 -3.450 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -1.023 -2.743 -3.317 1.00 0.00 H new ATOM 0 HD11 ILE A 29 2.806 -1.343 -2.020 1.00 0.00 H new ATOM 0 HD12 ILE A 29 1.792 0.107 -2.208 1.00 0.00 H new ATOM 0 HD13 ILE A 29 1.104 -1.374 -1.503 1.00 0.00 H new ATOM 439 N HIS A 30 -2.480 -1.906 -6.284 1.00 0.00 N ATOM 440 CA HIS A 30 -3.889 -1.666 -6.557 1.00 0.00 C ATOM 441 C HIS A 30 -4.657 -1.718 -5.255 1.00 0.00 C ATOM 442 O HIS A 30 -4.553 -2.688 -4.502 1.00 0.00 O ATOM 443 CB HIS A 30 -4.482 -2.695 -7.523 1.00 0.00 C ATOM 444 CG HIS A 30 -3.794 -2.770 -8.851 1.00 0.00 C ATOM 445 ND1 HIS A 30 -3.856 -3.877 -9.663 1.00 0.00 N ATOM 446 CD2 HIS A 30 -3.046 -1.859 -9.515 1.00 0.00 C ATOM 447 CE1 HIS A 30 -3.174 -3.646 -10.769 1.00 0.00 C ATOM 448 NE2 HIS A 30 -2.673 -2.424 -10.708 1.00 0.00 N ATOM 0 H HIS A 30 -2.181 -2.874 -6.405 1.00 0.00 H new ATOM 0 HA HIS A 30 -3.971 -0.686 -7.027 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -4.446 -3.678 -7.054 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -5.533 -2.458 -7.686 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -2.790 -0.869 -9.169 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -3.046 -4.339 -11.587 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -2.105 -1.977 -11.427 1.00 0.00 H new ATOM 457 N LEU A 31 -5.415 -0.681 -4.994 1.00 0.00 N ATOM 458 CA LEU A 31 -6.150 -0.582 -3.752 1.00 0.00 C ATOM 459 C LEU A 31 -7.627 -0.385 -4.015 1.00 0.00 C ATOM 460 O LEU A 31 -8.023 0.409 -4.869 1.00 0.00 O ATOM 461 CB LEU A 31 -5.624 0.574 -2.909 1.00 0.00 C ATOM 462 CG LEU A 31 -4.152 0.474 -2.505 1.00 0.00 C ATOM 463 CD1 LEU A 31 -3.688 1.758 -1.840 1.00 0.00 C ATOM 464 CD2 LEU A 31 -3.944 -0.702 -1.570 1.00 0.00 C ATOM 0 H LEU A 31 -5.541 0.110 -5.626 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.010 -1.515 -3.206 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.769 1.501 -3.463 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -6.228 0.646 -2.004 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.559 0.319 -3.407 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.638 1.665 -1.561 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.806 2.590 -2.534 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.286 1.942 -0.947 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.892 -0.762 -1.290 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.551 -0.567 -0.675 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.239 -1.623 -2.073 1.00 0.00 H new ATOM 476 N HIS A 32 -8.430 -1.115 -3.274 1.00 0.00 N ATOM 477 CA HIS A 32 -9.870 -0.992 -3.360 1.00 0.00 C ATOM 478 C HIS A 32 -10.344 -0.045 -2.270 1.00 0.00 C ATOM 479 O HIS A 32 -10.379 -0.406 -1.094 1.00 0.00 O ATOM 480 CB HIS A 32 -10.536 -2.368 -3.235 1.00 0.00 C ATOM 481 CG HIS A 32 -12.033 -2.339 -3.322 1.00 0.00 C ATOM 482 ND1 HIS A 32 -12.854 -2.904 -2.373 1.00 0.00 N ATOM 483 CD2 HIS A 32 -12.855 -1.823 -4.265 1.00 0.00 C ATOM 484 CE1 HIS A 32 -14.115 -2.736 -2.726 1.00 0.00 C ATOM 485 NE2 HIS A 32 -14.144 -2.082 -3.872 1.00 0.00 N ATOM 0 H HIS A 32 -8.107 -1.807 -2.598 1.00 0.00 H new ATOM 0 HA HIS A 32 -10.151 -0.586 -4.332 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -10.151 -3.018 -4.021 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -10.248 -2.813 -2.283 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -12.552 -1.303 -5.162 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -14.977 -3.076 -2.171 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -14.986 -1.813 -4.382 1.00 0.00 H new ATOM 494 N LYS A 33 -10.675 1.172 -2.673 1.00 0.00 N ATOM 495 CA LYS A 33 -11.026 2.235 -1.742 1.00 0.00 C ATOM 496 C LYS A 33 -12.305 1.905 -0.986 1.00 0.00 C ATOM 497 O LYS A 33 -13.118 1.098 -1.443 1.00 0.00 O ATOM 498 CB LYS A 33 -11.235 3.546 -2.505 1.00 0.00 C ATOM 499 CG LYS A 33 -10.057 3.968 -3.367 1.00 0.00 C ATOM 500 CD LYS A 33 -8.909 4.523 -2.539 1.00 0.00 C ATOM 501 CE LYS A 33 -9.288 5.818 -1.835 1.00 0.00 C ATOM 502 NZ LYS A 33 -9.858 6.830 -2.764 1.00 0.00 N ATOM 0 H LYS A 33 -10.708 1.451 -3.653 1.00 0.00 H new ATOM 0 HA LYS A 33 -10.208 2.336 -1.029 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -12.116 3.446 -3.139 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -11.447 4.339 -1.788 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -9.706 3.112 -3.944 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -10.384 4.722 -4.083 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -8.605 3.783 -1.798 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -8.049 4.700 -3.184 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -10.013 5.602 -1.050 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -8.406 6.234 -1.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -9.536 7.778 -2.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -9.541 6.629 -3.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -10.897 6.792 -2.724 1.00 0.00 H new ATOM 516 N ALA A 34 -12.483 2.551 0.159 1.00 0.00 N ATOM 517 CA ALA A 34 -13.740 2.480 0.895 1.00 0.00 C ATOM 518 C ALA A 34 -14.860 3.097 0.065 1.00 0.00 C ATOM 519 O ALA A 34 -16.044 2.837 0.291 1.00 0.00 O ATOM 520 CB ALA A 34 -13.610 3.193 2.231 1.00 0.00 C ATOM 0 H ALA A 34 -11.770 3.132 0.600 1.00 0.00 H new ATOM 0 HA ALA A 34 -13.981 1.435 1.088 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -14.556 3.132 2.770 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -12.825 2.720 2.821 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -13.356 4.239 2.062 1.00 0.00 H new ATOM 526 N ASN A 35 -14.462 3.928 -0.893 1.00 0.00 N ATOM 527 CA ASN A 35 -15.385 4.506 -1.864 1.00 0.00 C ATOM 528 C ASN A 35 -15.939 3.410 -2.759 1.00 0.00 C ATOM 529 O ASN A 35 -17.085 3.465 -3.198 1.00 0.00 O ATOM 530 CB ASN A 35 -14.673 5.541 -2.745 1.00 0.00 C ATOM 531 CG ASN A 35 -13.816 6.510 -1.960 1.00 0.00 C ATOM 532 OD1 ASN A 35 -12.641 6.247 -1.703 1.00 0.00 O ATOM 533 ND2 ASN A 35 -14.386 7.640 -1.592 1.00 0.00 N ATOM 0 H ASN A 35 -13.493 4.219 -1.018 1.00 0.00 H new ATOM 0 HA ASN A 35 -16.191 4.994 -1.316 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -14.048 5.021 -3.471 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -15.418 6.101 -3.309 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -13.850 8.336 -1.074 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -15.363 7.818 -1.826 1.00 0.00 H new ATOM 540 N GLY A 36 -15.110 2.402 -3.003 1.00 0.00 N ATOM 541 CA GLY A 36 -15.450 1.360 -3.945 1.00 0.00 C ATOM 542 C GLY A 36 -14.582 1.433 -5.182 1.00 0.00 C ATOM 543 O GLY A 36 -14.480 0.472 -5.946 1.00 0.00 O ATOM 0 H GLY A 36 -14.199 2.290 -2.558 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -15.331 0.386 -3.471 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -16.499 1.451 -4.228 1.00 0.00 H new ATOM 547 N VAL A 37 -13.949 2.582 -5.364 1.00 0.00 N ATOM 548 CA VAL A 37 -13.073 2.818 -6.504 1.00 0.00 C ATOM 549 C VAL A 37 -11.769 2.040 -6.351 1.00 0.00 C ATOM 550 O VAL A 37 -11.295 1.819 -5.237 1.00 0.00 O ATOM 551 CB VAL A 37 -12.748 4.325 -6.635 1.00 0.00 C ATOM 552 CG1 VAL A 37 -12.014 4.622 -7.934 1.00 0.00 C ATOM 553 CG2 VAL A 37 -14.017 5.153 -6.532 1.00 0.00 C ATOM 0 H VAL A 37 -14.027 3.376 -4.728 1.00 0.00 H new ATOM 0 HA VAL A 37 -13.593 2.479 -7.400 1.00 0.00 H new ATOM 0 HB VAL A 37 -12.087 4.599 -5.812 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -11.800 5.689 -7.995 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -11.079 4.063 -7.960 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -12.636 4.327 -8.779 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -13.770 6.210 -6.626 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -14.703 4.868 -7.330 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -14.490 4.975 -5.566 1.00 0.00 H new ATOM 563 N LYS A 38 -11.208 1.608 -7.465 1.00 0.00 N ATOM 564 CA LYS A 38 -9.905 0.967 -7.459 1.00 0.00 C ATOM 565 C LYS A 38 -8.841 1.961 -7.893 1.00 0.00 C ATOM 566 O LYS A 38 -8.979 2.626 -8.920 1.00 0.00 O ATOM 567 CB LYS A 38 -9.900 -0.254 -8.379 1.00 0.00 C ATOM 568 CG LYS A 38 -8.539 -0.918 -8.522 1.00 0.00 C ATOM 569 CD LYS A 38 -8.582 -2.059 -9.524 1.00 0.00 C ATOM 570 CE LYS A 38 -8.943 -1.562 -10.913 1.00 0.00 C ATOM 571 NZ LYS A 38 -9.049 -2.673 -11.889 1.00 0.00 N ATOM 0 H LYS A 38 -11.635 1.689 -8.388 1.00 0.00 H new ATOM 0 HA LYS A 38 -9.685 0.630 -6.446 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -10.611 -0.986 -7.997 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -10.251 0.047 -9.366 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -7.804 -0.179 -8.841 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -8.213 -1.295 -7.553 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -7.612 -2.556 -9.554 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -9.311 -2.802 -9.201 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -9.890 -1.024 -10.871 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -8.188 -0.852 -11.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -9.297 -2.291 -12.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -8.138 -3.171 -11.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -9.787 -3.337 -11.580 1.00 0.00 H new ATOM 585 N ILE A 39 -7.794 2.070 -7.097 1.00 0.00 N ATOM 586 CA ILE A 39 -6.713 3.008 -7.378 1.00 0.00 C ATOM 587 C ILE A 39 -5.397 2.262 -7.540 1.00 0.00 C ATOM 588 O ILE A 39 -5.262 1.119 -7.096 1.00 0.00 O ATOM 589 CB ILE A 39 -6.551 4.070 -6.260 1.00 0.00 C ATOM 590 CG1 ILE A 39 -5.962 3.443 -4.990 1.00 0.00 C ATOM 591 CG2 ILE A 39 -7.887 4.734 -5.956 1.00 0.00 C ATOM 592 CD1 ILE A 39 -5.742 4.433 -3.865 1.00 0.00 C ATOM 0 H ILE A 39 -7.665 1.521 -6.247 1.00 0.00 H new ATOM 0 HA ILE A 39 -6.975 3.522 -8.303 1.00 0.00 H new ATOM 0 HB ILE A 39 -5.858 4.832 -6.615 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -6.629 2.654 -4.642 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -5.011 2.970 -5.237 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -7.754 5.476 -5.169 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -8.264 5.222 -6.855 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -8.601 3.980 -5.626 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -5.324 3.916 -3.002 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -5.050 5.209 -4.193 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -6.693 4.888 -3.590 1.00 0.00 H new ATOM 604 N ALA A 40 -4.436 2.899 -8.187 1.00 0.00 N ATOM 605 CA ALA A 40 -3.102 2.340 -8.302 1.00 0.00 C ATOM 606 C ALA A 40 -2.075 3.321 -7.755 1.00 0.00 C ATOM 607 O ALA A 40 -1.747 4.320 -8.395 1.00 0.00 O ATOM 608 CB ALA A 40 -2.789 1.986 -9.749 1.00 0.00 C ATOM 0 H ALA A 40 -4.556 3.805 -8.641 1.00 0.00 H new ATOM 0 HA ALA A 40 -3.057 1.424 -7.714 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -1.784 1.569 -9.812 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -3.510 1.252 -10.108 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -2.848 2.884 -10.364 1.00 0.00 H new ATOM 614 N VAL A 41 -1.590 3.040 -6.559 1.00 0.00 N ATOM 615 CA VAL A 41 -0.571 3.861 -5.930 1.00 0.00 C ATOM 616 C VAL A 41 0.753 3.119 -5.949 1.00 0.00 C ATOM 617 O VAL A 41 0.819 1.955 -5.566 1.00 0.00 O ATOM 618 CB VAL A 41 -0.949 4.215 -4.475 1.00 0.00 C ATOM 619 CG1 VAL A 41 0.144 5.034 -3.815 1.00 0.00 C ATOM 620 CG2 VAL A 41 -2.268 4.969 -4.433 1.00 0.00 C ATOM 0 H VAL A 41 -1.889 2.241 -5.999 1.00 0.00 H new ATOM 0 HA VAL A 41 -0.487 4.792 -6.490 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.062 3.283 -3.921 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -0.146 5.270 -2.791 1.00 0.00 H new ATOM 0 HG12 VAL A 41 1.072 4.462 -3.806 1.00 0.00 H new ATOM 0 HG13 VAL A 41 0.293 5.959 -4.373 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -2.517 5.209 -3.399 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.179 5.890 -5.008 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.055 4.349 -4.861 1.00 0.00 H new ATOM 630 N ALA A 42 1.801 3.780 -6.415 1.00 0.00 N ATOM 631 CA ALA A 42 3.101 3.150 -6.526 1.00 0.00 C ATOM 632 C ALA A 42 3.667 2.867 -5.143 1.00 0.00 C ATOM 633 O ALA A 42 3.671 3.738 -4.274 1.00 0.00 O ATOM 634 CB ALA A 42 4.040 4.030 -7.331 1.00 0.00 C ATOM 0 H ALA A 42 1.774 4.752 -6.722 1.00 0.00 H new ATOM 0 HA ALA A 42 2.994 2.200 -7.049 1.00 0.00 H new ATOM 0 HB1 ALA A 42 5.014 3.547 -7.408 1.00 0.00 H new ATOM 0 HB2 ALA A 42 3.630 4.182 -8.329 1.00 0.00 H new ATOM 0 HB3 ALA A 42 4.151 4.994 -6.834 1.00 0.00 H new ATOM 640 N ALA A 43 4.141 1.645 -4.950 1.00 0.00 N ATOM 641 CA ALA A 43 4.643 1.202 -3.651 1.00 0.00 C ATOM 642 C ALA A 43 5.944 1.902 -3.276 1.00 0.00 C ATOM 643 O ALA A 43 6.439 1.753 -2.162 1.00 0.00 O ATOM 644 CB ALA A 43 4.857 -0.304 -3.661 1.00 0.00 C ATOM 0 H ALA A 43 4.190 0.935 -5.681 1.00 0.00 H new ATOM 0 HA ALA A 43 3.894 1.464 -2.904 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.231 -0.625 -2.689 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.911 -0.805 -3.869 1.00 0.00 H new ATOM 0 HB3 ALA A 43 5.582 -0.563 -4.432 1.00 0.00 H new ATOM 650 N ASP A 44 6.481 2.673 -4.202 1.00 0.00 N ATOM 651 CA ASP A 44 7.805 3.261 -4.020 1.00 0.00 C ATOM 652 C ASP A 44 7.778 4.526 -3.172 1.00 0.00 C ATOM 653 O ASP A 44 8.729 4.797 -2.439 1.00 0.00 O ATOM 654 CB ASP A 44 8.493 3.556 -5.354 1.00 0.00 C ATOM 655 CG ASP A 44 7.706 4.474 -6.267 1.00 0.00 C ATOM 656 OD1 ASP A 44 7.696 5.698 -6.031 1.00 0.00 O ATOM 657 OD2 ASP A 44 7.117 3.979 -7.248 1.00 0.00 O ATOM 0 H ASP A 44 6.028 2.909 -5.085 1.00 0.00 H new ATOM 0 HA ASP A 44 8.382 2.507 -3.485 1.00 0.00 H new ATOM 0 HB2 ASP A 44 9.467 4.005 -5.157 1.00 0.00 H new ATOM 0 HB3 ASP A 44 8.675 2.615 -5.872 1.00 0.00 H new ATOM 662 N LYS A 45 6.718 5.315 -3.267 1.00 0.00 N ATOM 663 CA LYS A 45 6.646 6.538 -2.474 1.00 0.00 C ATOM 664 C LYS A 45 5.629 6.377 -1.358 1.00 0.00 C ATOM 665 O LYS A 45 5.142 7.355 -0.789 1.00 0.00 O ATOM 666 CB LYS A 45 6.319 7.764 -3.345 1.00 0.00 C ATOM 667 CG LYS A 45 4.863 7.880 -3.786 1.00 0.00 C ATOM 668 CD LYS A 45 4.485 6.849 -4.830 1.00 0.00 C ATOM 669 CE LYS A 45 3.043 7.026 -5.272 1.00 0.00 C ATOM 670 NZ LYS A 45 2.808 8.361 -5.884 1.00 0.00 N ATOM 0 H LYS A 45 5.913 5.139 -3.869 1.00 0.00 H new ATOM 0 HA LYS A 45 7.627 6.712 -2.033 1.00 0.00 H new ATOM 0 HB2 LYS A 45 6.587 8.664 -2.792 1.00 0.00 H new ATOM 0 HB3 LYS A 45 6.950 7.737 -4.234 1.00 0.00 H new ATOM 0 HG2 LYS A 45 4.214 7.766 -2.917 1.00 0.00 H new ATOM 0 HG3 LYS A 45 4.687 8.878 -4.187 1.00 0.00 H new ATOM 0 HD2 LYS A 45 5.147 6.939 -5.691 1.00 0.00 H new ATOM 0 HD3 LYS A 45 4.624 5.847 -4.424 1.00 0.00 H new ATOM 0 HE2 LYS A 45 2.786 6.248 -5.990 1.00 0.00 H new ATOM 0 HE3 LYS A 45 2.383 6.899 -4.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 1.919 8.344 -6.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 2.745 9.080 -5.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 3.595 8.594 -6.522 1.00 0.00 H new ATOM 684 N LEU A 46 5.326 5.132 -1.043 1.00 0.00 N ATOM 685 CA LEU A 46 4.329 4.817 -0.038 1.00 0.00 C ATOM 686 C LEU A 46 4.981 4.626 1.333 1.00 0.00 C ATOM 687 O LEU A 46 6.207 4.572 1.442 1.00 0.00 O ATOM 688 CB LEU A 46 3.602 3.553 -0.469 1.00 0.00 C ATOM 689 CG LEU A 46 2.176 3.399 0.042 1.00 0.00 C ATOM 690 CD1 LEU A 46 1.323 4.600 -0.353 1.00 0.00 C ATOM 691 CD2 LEU A 46 1.588 2.121 -0.515 1.00 0.00 C ATOM 0 H LEU A 46 5.761 4.316 -1.473 1.00 0.00 H new ATOM 0 HA LEU A 46 3.621 5.641 0.052 1.00 0.00 H new ATOM 0 HB2 LEU A 46 3.582 3.522 -1.558 1.00 0.00 H new ATOM 0 HB3 LEU A 46 4.182 2.692 -0.136 1.00 0.00 H new ATOM 0 HG LEU A 46 2.189 3.349 1.131 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.309 4.466 0.024 1.00 0.00 H new ATOM 0 HD12 LEU A 46 1.752 5.507 0.074 1.00 0.00 H new ATOM 0 HD13 LEU A 46 1.298 4.687 -1.439 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.566 2.003 -0.154 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.585 2.166 -1.604 1.00 0.00 H new ATOM 0 HD23 LEU A 46 2.189 1.272 -0.189 1.00 0.00 H new ATOM 703 N SER A 47 4.159 4.543 2.375 1.00 0.00 N ATOM 704 CA SER A 47 4.655 4.380 3.736 1.00 0.00 C ATOM 705 C SER A 47 5.156 2.960 3.959 1.00 0.00 C ATOM 706 O SER A 47 4.548 1.983 3.513 1.00 0.00 O ATOM 707 CB SER A 47 3.558 4.734 4.747 1.00 0.00 C ATOM 708 OG SER A 47 4.038 4.665 6.080 1.00 0.00 O ATOM 0 H SER A 47 3.143 4.586 2.301 1.00 0.00 H new ATOM 0 HA SER A 47 5.493 5.061 3.883 1.00 0.00 H new ATOM 0 HB2 SER A 47 3.186 5.738 4.545 1.00 0.00 H new ATOM 0 HB3 SER A 47 2.717 4.052 4.626 1.00 0.00 H new ATOM 0 HG SER A 47 3.316 4.897 6.700 1.00 0.00 H new ATOM 714 N ASN A 48 6.275 2.871 4.670 1.00 0.00 N ATOM 715 CA ASN A 48 6.987 1.615 4.867 1.00 0.00 C ATOM 716 C ASN A 48 6.142 0.613 5.632 1.00 0.00 C ATOM 717 O ASN A 48 6.283 -0.594 5.446 1.00 0.00 O ATOM 718 CB ASN A 48 8.281 1.852 5.630 1.00 0.00 C ATOM 719 CG ASN A 48 9.056 3.046 5.106 1.00 0.00 C ATOM 720 OD1 ASN A 48 9.734 2.958 4.093 1.00 0.00 O ATOM 721 ND2 ASN A 48 8.988 4.163 5.812 1.00 0.00 N ATOM 0 H ASN A 48 6.714 3.670 5.127 1.00 0.00 H new ATOM 0 HA ASN A 48 7.208 1.209 3.880 1.00 0.00 H new ATOM 0 HB2 ASN A 48 8.054 2.005 6.685 1.00 0.00 H new ATOM 0 HB3 ASN A 48 8.905 0.961 5.565 1.00 0.00 H new ATOM 0 HD21 ASN A 48 9.512 4.986 5.515 1.00 0.00 H new ATOM 0 HD22 ASN A 48 8.412 4.201 6.653 1.00 0.00 H new ATOM 728 N GLU A 49 5.278 1.118 6.503 1.00 0.00 N ATOM 729 CA GLU A 49 4.367 0.293 7.247 1.00 0.00 C ATOM 730 C GLU A 49 3.433 -0.428 6.295 1.00 0.00 C ATOM 731 O GLU A 49 3.220 -1.640 6.392 1.00 0.00 O ATOM 732 CB GLU A 49 3.561 1.178 8.188 1.00 0.00 C ATOM 733 CG GLU A 49 4.291 1.583 9.457 1.00 0.00 C ATOM 734 CD GLU A 49 5.505 2.446 9.190 1.00 0.00 C ATOM 735 OE1 GLU A 49 5.428 3.333 8.314 1.00 0.00 O ATOM 736 OE2 GLU A 49 6.535 2.256 9.865 1.00 0.00 O ATOM 0 H GLU A 49 5.198 2.114 6.706 1.00 0.00 H new ATOM 0 HA GLU A 49 4.924 -0.447 7.822 1.00 0.00 H new ATOM 0 HB2 GLU A 49 3.264 2.080 7.652 1.00 0.00 H new ATOM 0 HB3 GLU A 49 2.645 0.654 8.463 1.00 0.00 H new ATOM 0 HG2 GLU A 49 3.604 2.123 10.108 1.00 0.00 H new ATOM 0 HG3 GLU A 49 4.600 0.686 9.994 1.00 0.00 H new ATOM 743 N ASP A 50 2.896 0.337 5.360 1.00 0.00 N ATOM 744 CA ASP A 50 1.995 -0.161 4.374 1.00 0.00 C ATOM 745 C ASP A 50 2.701 -1.144 3.453 1.00 0.00 C ATOM 746 O ASP A 50 2.110 -2.139 3.029 1.00 0.00 O ATOM 747 CB ASP A 50 1.445 1.030 3.606 1.00 0.00 C ATOM 748 CG ASP A 50 0.656 1.976 4.494 1.00 0.00 C ATOM 749 OD1 ASP A 50 1.279 2.746 5.257 1.00 0.00 O ATOM 750 OD2 ASP A 50 -0.586 1.946 4.450 1.00 0.00 O ATOM 0 H ASP A 50 3.087 1.336 5.276 1.00 0.00 H new ATOM 0 HA ASP A 50 1.174 -0.705 4.842 1.00 0.00 H new ATOM 0 HB2 ASP A 50 2.269 1.573 3.143 1.00 0.00 H new ATOM 0 HB3 ASP A 50 0.805 0.674 2.799 1.00 0.00 H new ATOM 755 N LEU A 51 3.985 -0.896 3.175 1.00 0.00 N ATOM 756 CA LEU A 51 4.756 -1.806 2.347 1.00 0.00 C ATOM 757 C LEU A 51 4.996 -3.108 3.087 1.00 0.00 C ATOM 758 O LEU A 51 4.762 -4.179 2.545 1.00 0.00 O ATOM 759 CB LEU A 51 6.104 -1.190 1.942 1.00 0.00 C ATOM 760 CG LEU A 51 6.082 -0.182 0.784 1.00 0.00 C ATOM 761 CD1 LEU A 51 4.668 0.058 0.281 1.00 0.00 C ATOM 762 CD2 LEU A 51 6.737 1.124 1.206 1.00 0.00 C ATOM 0 H LEU A 51 4.500 -0.082 3.510 1.00 0.00 H new ATOM 0 HA LEU A 51 4.181 -1.999 1.441 1.00 0.00 H new ATOM 0 HB2 LEU A 51 6.528 -0.695 2.816 1.00 0.00 H new ATOM 0 HB3 LEU A 51 6.782 -2.001 1.675 1.00 0.00 H new ATOM 0 HG LEU A 51 6.654 -0.606 -0.041 1.00 0.00 H new ATOM 0 HD11 LEU A 51 4.690 0.777 -0.538 1.00 0.00 H new ATOM 0 HD12 LEU A 51 4.243 -0.882 -0.072 1.00 0.00 H new ATOM 0 HD13 LEU A 51 4.055 0.451 1.092 1.00 0.00 H new ATOM 0 HD21 LEU A 51 6.714 1.828 0.374 1.00 0.00 H new ATOM 0 HD22 LEU A 51 6.196 1.545 2.053 1.00 0.00 H new ATOM 0 HD23 LEU A 51 7.772 0.936 1.493 1.00 0.00 H new ATOM 774 N ALA A 52 5.419 -3.011 4.343 1.00 0.00 N ATOM 775 CA ALA A 52 5.713 -4.192 5.143 1.00 0.00 C ATOM 776 C ALA A 52 4.463 -5.042 5.293 1.00 0.00 C ATOM 777 O ALA A 52 4.525 -6.267 5.394 1.00 0.00 O ATOM 778 CB ALA A 52 6.244 -3.786 6.507 1.00 0.00 C ATOM 0 H ALA A 52 5.566 -2.126 4.828 1.00 0.00 H new ATOM 0 HA ALA A 52 6.478 -4.780 4.636 1.00 0.00 H new ATOM 0 HB1 ALA A 52 6.459 -4.679 7.094 1.00 0.00 H new ATOM 0 HB2 ALA A 52 7.157 -3.204 6.383 1.00 0.00 H new ATOM 0 HB3 ALA A 52 5.497 -3.184 7.024 1.00 0.00 H new ATOM 784 N TYR A 53 3.325 -4.367 5.294 1.00 0.00 N ATOM 785 CA TYR A 53 2.036 -5.026 5.371 1.00 0.00 C ATOM 786 C TYR A 53 1.734 -5.798 4.084 1.00 0.00 C ATOM 787 O TYR A 53 1.480 -7.010 4.112 1.00 0.00 O ATOM 788 CB TYR A 53 0.974 -3.952 5.628 1.00 0.00 C ATOM 789 CG TYR A 53 -0.453 -4.373 5.357 1.00 0.00 C ATOM 790 CD1 TYR A 53 -1.148 -5.201 6.229 1.00 0.00 C ATOM 791 CD2 TYR A 53 -1.104 -3.928 4.217 1.00 0.00 C ATOM 792 CE1 TYR A 53 -2.457 -5.569 5.968 1.00 0.00 C ATOM 793 CE2 TYR A 53 -2.406 -4.287 3.951 1.00 0.00 C ATOM 794 CZ TYR A 53 -3.081 -5.108 4.826 1.00 0.00 C ATOM 795 OH TYR A 53 -4.382 -5.470 4.563 1.00 0.00 O ATOM 0 H TYR A 53 3.271 -3.350 5.242 1.00 0.00 H new ATOM 0 HA TYR A 53 2.037 -5.754 6.182 1.00 0.00 H new ATOM 0 HB2 TYR A 53 1.049 -3.632 6.667 1.00 0.00 H new ATOM 0 HB3 TYR A 53 1.202 -3.084 5.010 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -0.661 -5.563 7.123 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -0.579 -3.287 3.524 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -2.987 -6.213 6.654 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -2.896 -3.926 3.059 1.00 0.00 H new ATOM 0 HH TYR A 53 -4.698 -4.997 3.765 1.00 0.00 H new ATOM 805 N VAL A 54 1.846 -5.121 2.950 1.00 0.00 N ATOM 806 CA VAL A 54 1.517 -5.736 1.673 1.00 0.00 C ATOM 807 C VAL A 54 2.535 -6.817 1.311 1.00 0.00 C ATOM 808 O VAL A 54 2.213 -7.780 0.605 1.00 0.00 O ATOM 809 CB VAL A 54 1.378 -4.681 0.557 1.00 0.00 C ATOM 810 CG1 VAL A 54 2.564 -3.777 0.520 1.00 0.00 C ATOM 811 CG2 VAL A 54 1.152 -5.322 -0.802 1.00 0.00 C ATOM 0 H VAL A 54 2.160 -4.152 2.888 1.00 0.00 H new ATOM 0 HA VAL A 54 0.546 -6.220 1.773 1.00 0.00 H new ATOM 0 HB VAL A 54 0.497 -4.083 0.791 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.438 -3.044 -0.277 1.00 0.00 H new ATOM 0 HG12 VAL A 54 2.659 -3.262 1.476 1.00 0.00 H new ATOM 0 HG13 VAL A 54 3.463 -4.364 0.334 1.00 0.00 H new ATOM 0 HG21 VAL A 54 1.059 -4.544 -1.560 1.00 0.00 H new ATOM 0 HG22 VAL A 54 1.996 -5.967 -1.045 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.238 -5.915 -0.777 1.00 0.00 H new ATOM 821 N GLU A 55 3.757 -6.666 1.815 1.00 0.00 N ATOM 822 CA GLU A 55 4.734 -7.745 1.766 1.00 0.00 C ATOM 823 C GLU A 55 4.123 -9.020 2.316 1.00 0.00 C ATOM 824 O GLU A 55 4.195 -10.076 1.696 1.00 0.00 O ATOM 825 CB GLU A 55 5.954 -7.444 2.626 1.00 0.00 C ATOM 826 CG GLU A 55 6.732 -6.212 2.253 1.00 0.00 C ATOM 827 CD GLU A 55 8.011 -6.124 3.053 1.00 0.00 C ATOM 828 OE1 GLU A 55 7.982 -6.489 4.249 1.00 0.00 O ATOM 829 OE2 GLU A 55 9.044 -5.710 2.494 1.00 0.00 O ATOM 0 H GLU A 55 4.091 -5.811 2.259 1.00 0.00 H new ATOM 0 HA GLU A 55 5.030 -7.852 0.722 1.00 0.00 H new ATOM 0 HB2 GLU A 55 5.629 -7.345 3.662 1.00 0.00 H new ATOM 0 HB3 GLU A 55 6.626 -8.301 2.583 1.00 0.00 H new ATOM 0 HG2 GLU A 55 6.964 -6.231 1.188 1.00 0.00 H new ATOM 0 HG3 GLU A 55 6.124 -5.325 2.431 1.00 0.00 H new ATOM 836 N LYS A 56 3.507 -8.904 3.487 1.00 0.00 N ATOM 837 CA LYS A 56 2.967 -10.057 4.182 1.00 0.00 C ATOM 838 C LYS A 56 1.723 -10.570 3.478 1.00 0.00 C ATOM 839 O LYS A 56 1.394 -11.750 3.566 1.00 0.00 O ATOM 840 CB LYS A 56 2.667 -9.708 5.642 1.00 0.00 C ATOM 841 CG LYS A 56 3.827 -9.947 6.615 1.00 0.00 C ATOM 842 CD LYS A 56 5.082 -9.133 6.293 1.00 0.00 C ATOM 843 CE LYS A 56 5.947 -9.802 5.232 1.00 0.00 C ATOM 844 NZ LYS A 56 7.246 -9.096 5.027 1.00 0.00 N ATOM 0 H LYS A 56 3.371 -8.018 3.973 1.00 0.00 H new ATOM 0 HA LYS A 56 3.713 -10.852 4.169 1.00 0.00 H new ATOM 0 HB2 LYS A 56 2.376 -8.659 5.697 1.00 0.00 H new ATOM 0 HB3 LYS A 56 1.809 -10.294 5.971 1.00 0.00 H new ATOM 0 HG2 LYS A 56 3.497 -9.704 7.625 1.00 0.00 H new ATOM 0 HG3 LYS A 56 4.081 -11.007 6.609 1.00 0.00 H new ATOM 0 HD2 LYS A 56 4.791 -8.141 5.949 1.00 0.00 H new ATOM 0 HD3 LYS A 56 5.667 -8.996 7.202 1.00 0.00 H new ATOM 0 HE2 LYS A 56 6.140 -10.835 5.523 1.00 0.00 H new ATOM 0 HE3 LYS A 56 5.401 -9.833 4.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 7.682 -9.422 4.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 7.079 -8.071 4.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 7.883 -9.303 5.823 1.00 0.00 H new ATOM 858 N ILE A 57 1.035 -9.679 2.775 1.00 0.00 N ATOM 859 CA ILE A 57 -0.106 -10.086 1.964 1.00 0.00 C ATOM 860 C ILE A 57 0.352 -10.956 0.789 1.00 0.00 C ATOM 861 O ILE A 57 -0.258 -11.981 0.492 1.00 0.00 O ATOM 862 CB ILE A 57 -0.890 -8.882 1.388 1.00 0.00 C ATOM 863 CG1 ILE A 57 -1.045 -7.765 2.423 1.00 0.00 C ATOM 864 CG2 ILE A 57 -2.260 -9.334 0.893 1.00 0.00 C ATOM 865 CD1 ILE A 57 -1.700 -8.195 3.711 1.00 0.00 C ATOM 0 H ILE A 57 1.244 -8.681 2.749 1.00 0.00 H new ATOM 0 HA ILE A 57 -0.763 -10.645 2.630 1.00 0.00 H new ATOM 0 HB ILE A 57 -0.319 -8.483 0.550 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -0.060 -7.357 2.649 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -1.631 -6.958 1.983 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -2.802 -8.478 0.490 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -2.135 -10.085 0.113 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -2.823 -9.763 1.722 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -1.770 -7.342 4.386 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -2.700 -8.575 3.502 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -1.105 -8.980 4.178 1.00 0.00 H new ATOM 877 N THR A 58 1.442 -10.554 0.138 1.00 0.00 N ATOM 878 CA THR A 58 1.847 -11.176 -1.124 1.00 0.00 C ATOM 879 C THR A 58 2.913 -12.253 -0.956 1.00 0.00 C ATOM 880 O THR A 58 2.801 -13.348 -1.514 1.00 0.00 O ATOM 881 CB THR A 58 2.385 -10.117 -2.102 1.00 0.00 C ATOM 882 OG1 THR A 58 3.321 -9.261 -1.429 1.00 0.00 O ATOM 883 CG2 THR A 58 1.256 -9.288 -2.681 1.00 0.00 C ATOM 0 H THR A 58 2.057 -9.806 0.459 1.00 0.00 H new ATOM 0 HA THR A 58 0.947 -11.650 -1.516 1.00 0.00 H new ATOM 0 HB THR A 58 2.887 -10.633 -2.921 1.00 0.00 H new ATOM 0 HG1 THR A 58 2.838 -8.662 -0.821 1.00 0.00 H new ATOM 0 HG21 THR A 58 1.664 -8.547 -3.369 1.00 0.00 H new ATOM 0 HG22 THR A 58 0.565 -9.939 -3.217 1.00 0.00 H new ATOM 0 HG23 THR A 58 0.726 -8.781 -1.875 1.00 0.00 H new ATOM 891 N GLY A 59 3.945 -11.942 -0.195 1.00 0.00 N ATOM 892 CA GLY A 59 5.086 -12.825 -0.095 1.00 0.00 C ATOM 893 C GLY A 59 6.337 -12.172 -0.644 1.00 0.00 C ATOM 894 O GLY A 59 7.435 -12.716 -0.531 1.00 0.00 O ATOM 0 H GLY A 59 4.015 -11.089 0.359 1.00 0.00 H new ATOM 0 HA2 GLY A 59 5.245 -13.101 0.948 1.00 0.00 H new ATOM 0 HA3 GLY A 59 4.884 -13.746 -0.641 1.00 0.00 H new ATOM 898 N PHE A 60 6.166 -10.997 -1.241 1.00 0.00 N ATOM 899 CA PHE A 60 7.285 -10.233 -1.769 1.00 0.00 C ATOM 900 C PHE A 60 7.768 -9.261 -0.707 1.00 0.00 C ATOM 901 O PHE A 60 7.099 -9.071 0.307 1.00 0.00 O ATOM 902 CB PHE A 60 6.866 -9.459 -3.028 1.00 0.00 C ATOM 903 CG PHE A 60 6.350 -10.327 -4.141 1.00 0.00 C ATOM 904 CD1 PHE A 60 7.225 -10.932 -5.028 1.00 0.00 C ATOM 905 CD2 PHE A 60 4.991 -10.538 -4.301 1.00 0.00 C ATOM 906 CE1 PHE A 60 6.752 -11.727 -6.054 1.00 0.00 C ATOM 907 CE2 PHE A 60 4.512 -11.331 -5.324 1.00 0.00 C ATOM 908 CZ PHE A 60 5.394 -11.929 -6.201 1.00 0.00 C ATOM 0 H PHE A 60 5.257 -10.553 -1.371 1.00 0.00 H new ATOM 0 HA PHE A 60 8.088 -10.919 -2.038 1.00 0.00 H new ATOM 0 HB2 PHE A 60 6.095 -8.738 -2.758 1.00 0.00 H new ATOM 0 HB3 PHE A 60 7.721 -8.890 -3.393 1.00 0.00 H new ATOM 0 HD1 PHE A 60 8.288 -10.781 -4.916 1.00 0.00 H new ATOM 0 HD2 PHE A 60 4.296 -10.076 -3.616 1.00 0.00 H new ATOM 0 HE1 PHE A 60 7.444 -12.191 -6.741 1.00 0.00 H new ATOM 0 HE2 PHE A 60 3.449 -11.483 -5.438 1.00 0.00 H new ATOM 0 HZ PHE A 60 5.023 -12.553 -7.000 1.00 0.00 H new ATOM 918 N SER A 61 8.924 -8.661 -0.918 1.00 0.00 N ATOM 919 CA SER A 61 9.414 -7.647 -0.005 1.00 0.00 C ATOM 920 C SER A 61 9.531 -6.317 -0.729 1.00 0.00 C ATOM 921 O SER A 61 10.044 -6.248 -1.848 1.00 0.00 O ATOM 922 CB SER A 61 10.765 -8.047 0.595 1.00 0.00 C ATOM 923 OG SER A 61 11.169 -7.128 1.603 1.00 0.00 O ATOM 0 H SER A 61 9.538 -8.857 -1.709 1.00 0.00 H new ATOM 0 HA SER A 61 8.702 -7.550 0.814 1.00 0.00 H new ATOM 0 HB2 SER A 61 10.696 -9.049 1.018 1.00 0.00 H new ATOM 0 HB3 SER A 61 11.519 -8.084 -0.191 1.00 0.00 H new ATOM 0 HG SER A 61 10.381 -6.666 1.959 1.00 0.00 H new ATOM 929 N LEU A 62 9.053 -5.265 -0.085 1.00 0.00 N ATOM 930 CA LEU A 62 9.093 -3.934 -0.659 1.00 0.00 C ATOM 931 C LEU A 62 10.179 -3.123 0.027 1.00 0.00 C ATOM 932 O LEU A 62 10.127 -1.898 0.069 1.00 0.00 O ATOM 933 CB LEU A 62 7.730 -3.234 -0.532 1.00 0.00 C ATOM 934 CG LEU A 62 6.536 -4.041 -1.059 1.00 0.00 C ATOM 935 CD1 LEU A 62 5.284 -3.191 -1.064 1.00 0.00 C ATOM 936 CD2 LEU A 62 6.803 -4.585 -2.455 1.00 0.00 C ATOM 0 H LEU A 62 8.630 -5.310 0.842 1.00 0.00 H new ATOM 0 HA LEU A 62 9.321 -4.015 -1.722 1.00 0.00 H new ATOM 0 HB2 LEU A 62 7.556 -2.999 0.518 1.00 0.00 H new ATOM 0 HB3 LEU A 62 7.774 -2.286 -1.068 1.00 0.00 H new ATOM 0 HG LEU A 62 6.390 -4.888 -0.389 1.00 0.00 H new ATOM 0 HD11 LEU A 62 4.447 -3.779 -1.441 1.00 0.00 H new ATOM 0 HD12 LEU A 62 5.066 -2.858 -0.049 1.00 0.00 H new ATOM 0 HD13 LEU A 62 5.436 -2.323 -1.706 1.00 0.00 H new ATOM 0 HD21 LEU A 62 5.937 -5.151 -2.797 1.00 0.00 H new ATOM 0 HD22 LEU A 62 6.988 -3.757 -3.139 1.00 0.00 H new ATOM 0 HD23 LEU A 62 7.676 -5.237 -2.431 1.00 0.00 H new ATOM 948 N GLU A 63 11.164 -3.834 0.564 1.00 0.00 N ATOM 949 CA GLU A 63 12.301 -3.243 1.234 1.00 0.00 C ATOM 950 C GLU A 63 13.004 -2.230 0.341 1.00 0.00 C ATOM 951 O GLU A 63 13.401 -1.157 0.793 1.00 0.00 O ATOM 952 CB GLU A 63 13.243 -4.372 1.582 1.00 0.00 C ATOM 953 CG GLU A 63 14.142 -4.106 2.759 1.00 0.00 C ATOM 954 CD GLU A 63 13.387 -3.717 4.011 1.00 0.00 C ATOM 955 OE1 GLU A 63 12.810 -4.608 4.671 1.00 0.00 O ATOM 956 OE2 GLU A 63 13.363 -2.517 4.346 1.00 0.00 O ATOM 0 H GLU A 63 11.189 -4.853 0.542 1.00 0.00 H new ATOM 0 HA GLU A 63 11.975 -2.709 2.127 1.00 0.00 H new ATOM 0 HB2 GLU A 63 12.655 -5.266 1.787 1.00 0.00 H new ATOM 0 HB3 GLU A 63 13.862 -4.590 0.712 1.00 0.00 H new ATOM 0 HG2 GLU A 63 14.736 -4.997 2.963 1.00 0.00 H new ATOM 0 HG3 GLU A 63 14.840 -3.310 2.502 1.00 0.00 H new ATOM 963 N LYS A 64 13.145 -2.579 -0.932 1.00 0.00 N ATOM 964 CA LYS A 64 13.751 -1.693 -1.917 1.00 0.00 C ATOM 965 C LYS A 64 12.965 -0.389 -2.045 1.00 0.00 C ATOM 966 O LYS A 64 13.491 0.622 -2.509 1.00 0.00 O ATOM 967 CB LYS A 64 13.831 -2.398 -3.272 1.00 0.00 C ATOM 968 CG LYS A 64 12.519 -3.034 -3.703 1.00 0.00 C ATOM 969 CD LYS A 64 12.647 -3.746 -5.042 1.00 0.00 C ATOM 970 CE LYS A 64 13.043 -2.788 -6.154 1.00 0.00 C ATOM 971 NZ LYS A 64 13.059 -3.454 -7.483 1.00 0.00 N ATOM 0 H LYS A 64 12.845 -3.478 -1.308 1.00 0.00 H new ATOM 0 HA LYS A 64 14.758 -1.446 -1.580 1.00 0.00 H new ATOM 0 HB2 LYS A 64 14.143 -1.679 -4.029 1.00 0.00 H new ATOM 0 HB3 LYS A 64 14.601 -3.168 -3.227 1.00 0.00 H new ATOM 0 HG2 LYS A 64 12.193 -3.745 -2.943 1.00 0.00 H new ATOM 0 HG3 LYS A 64 11.749 -2.266 -3.772 1.00 0.00 H new ATOM 0 HD2 LYS A 64 13.391 -4.539 -4.963 1.00 0.00 H new ATOM 0 HD3 LYS A 64 11.699 -4.222 -5.293 1.00 0.00 H new ATOM 0 HE2 LYS A 64 12.346 -1.951 -6.176 1.00 0.00 H new ATOM 0 HE3 LYS A 64 14.030 -2.376 -5.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 13.334 -2.766 -8.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 13.743 -4.237 -7.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 12.111 -3.825 -7.697 1.00 0.00 H new ATOM 985 N PHE A 65 11.714 -0.414 -1.611 1.00 0.00 N ATOM 986 CA PHE A 65 10.860 0.765 -1.677 1.00 0.00 C ATOM 987 C PHE A 65 10.784 1.433 -0.310 1.00 0.00 C ATOM 988 O PHE A 65 10.353 2.579 -0.181 1.00 0.00 O ATOM 989 CB PHE A 65 9.454 0.390 -2.153 1.00 0.00 C ATOM 990 CG PHE A 65 9.424 -0.281 -3.499 1.00 0.00 C ATOM 991 CD1 PHE A 65 9.842 0.394 -4.636 1.00 0.00 C ATOM 992 CD2 PHE A 65 8.969 -1.583 -3.629 1.00 0.00 C ATOM 993 CE1 PHE A 65 9.808 -0.219 -5.875 1.00 0.00 C ATOM 994 CE2 PHE A 65 8.933 -2.200 -4.864 1.00 0.00 C ATOM 995 CZ PHE A 65 9.354 -1.518 -5.989 1.00 0.00 C ATOM 0 H PHE A 65 11.266 -1.238 -1.209 1.00 0.00 H new ATOM 0 HA PHE A 65 11.293 1.463 -2.393 1.00 0.00 H new ATOM 0 HB2 PHE A 65 8.997 -0.272 -1.418 1.00 0.00 H new ATOM 0 HB3 PHE A 65 8.843 1.291 -2.194 1.00 0.00 H new ATOM 0 HD1 PHE A 65 10.198 1.410 -4.553 1.00 0.00 H new ATOM 0 HD2 PHE A 65 8.638 -2.122 -2.754 1.00 0.00 H new ATOM 0 HE1 PHE A 65 10.136 0.318 -6.753 1.00 0.00 H new ATOM 0 HE2 PHE A 65 8.576 -3.216 -4.950 1.00 0.00 H new ATOM 0 HZ PHE A 65 9.328 -2.000 -6.955 1.00 0.00 H new ATOM 1005 N LYS A 66 11.225 0.708 0.709 1.00 0.00 N ATOM 1006 CA LYS A 66 11.195 1.209 2.070 1.00 0.00 C ATOM 1007 C LYS A 66 12.388 2.116 2.324 1.00 0.00 C ATOM 1008 O LYS A 66 13.501 1.846 1.868 1.00 0.00 O ATOM 1009 CB LYS A 66 11.187 0.051 3.072 1.00 0.00 C ATOM 1010 CG LYS A 66 9.905 -0.772 3.048 1.00 0.00 C ATOM 1011 CD LYS A 66 10.069 -2.089 3.794 1.00 0.00 C ATOM 1012 CE LYS A 66 10.396 -1.874 5.264 1.00 0.00 C ATOM 1013 NZ LYS A 66 10.827 -3.136 5.919 1.00 0.00 N ATOM 0 H LYS A 66 11.609 -0.232 0.615 1.00 0.00 H new ATOM 0 HA LYS A 66 10.280 1.786 2.204 1.00 0.00 H new ATOM 0 HB2 LYS A 66 12.033 -0.604 2.863 1.00 0.00 H new ATOM 0 HB3 LYS A 66 11.333 0.450 4.076 1.00 0.00 H new ATOM 0 HG2 LYS A 66 9.095 -0.197 3.497 1.00 0.00 H new ATOM 0 HG3 LYS A 66 9.620 -0.972 2.015 1.00 0.00 H new ATOM 0 HD2 LYS A 66 9.151 -2.671 3.708 1.00 0.00 H new ATOM 0 HD3 LYS A 66 10.862 -2.673 3.328 1.00 0.00 H new ATOM 0 HE2 LYS A 66 11.185 -1.128 5.356 1.00 0.00 H new ATOM 0 HE3 LYS A 66 9.520 -1.477 5.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 11.567 -2.928 6.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 10.013 -3.575 6.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 11.202 -3.789 5.202 1.00 0.00 H new