USER MOD reduce.3.24.130724 H: found=0, std=0, add=459, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 458 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 31 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 1 ARG N :NH3+ 171:sc= -0.0714 (180deg=-0.23) USER MOD Single : A 4 TYR OH : rot 30:sc= -0.789 USER MOD Single : A 6 ASN : amide:sc= -7.07! C(o=-7.1!,f=-4.6!) USER MOD Single : A 8 HIS : no HE2:sc= -11.9! C(o=-12!,f=-11!) USER MOD Single : A 10 THR OG1 : rot 96:sc= -2.81! USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=-0.088) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.223 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -4.13! C(o=-4.1!,f=-13!) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.00859) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -0.0511 X(o=-0.051,f=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= -0.0125 USER MOD Single : A 49 ASN : amide:sc= -0.701 K(o=-0.7,f=-1.4) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0.199 USER MOD Single : A 52 THR OG1 : rot 180:sc= -1.1 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot -51:sc= 0.115 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= -1.52 X(o=-1.5,f=-1.8) USER MOD Single : A 64 THR OG1 : rot 160:sc= -0.664 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 2.764 15.273 -1.757 1.00 0.00 N ATOM 2 CA ARG A 1 3.624 14.061 -1.707 1.00 0.00 C ATOM 3 C ARG A 1 3.309 13.253 -0.446 1.00 0.00 C ATOM 4 O ARG A 1 3.717 13.597 0.645 1.00 0.00 O ATOM 5 CB ARG A 1 5.094 14.480 -1.689 1.00 0.00 C ATOM 6 CG ARG A 1 5.839 13.747 -2.804 1.00 0.00 C ATOM 7 CD ARG A 1 6.850 14.693 -3.453 1.00 0.00 C ATOM 8 NE ARG A 1 7.897 13.898 -4.152 1.00 0.00 N ATOM 9 CZ ARG A 1 8.584 14.433 -5.124 1.00 0.00 C ATOM 10 NH1 ARG A 1 7.979 14.830 -6.209 1.00 0.00 N ATOM 11 NH2 ARG A 1 9.877 14.573 -5.009 1.00 0.00 N ATOM 0 H1 ARG A 1 3.083 15.894 -2.528 1.00 0.00 H new ATOM 0 H2 ARG A 1 1.777 14.992 -1.925 1.00 0.00 H new ATOM 0 H3 ARG A 1 2.829 15.782 -0.853 1.00 0.00 H new ATOM 0 HA ARG A 1 3.430 13.446 -2.586 1.00 0.00 H new ATOM 0 HB2 ARG A 1 5.179 15.558 -1.826 1.00 0.00 H new ATOM 0 HB3 ARG A 1 5.540 14.246 -0.722 1.00 0.00 H new ATOM 0 HG2 ARG A 1 6.350 12.873 -2.400 1.00 0.00 H new ATOM 0 HG3 ARG A 1 5.132 13.386 -3.551 1.00 0.00 H new ATOM 0 HD2 ARG A 1 6.346 15.351 -4.160 1.00 0.00 H new ATOM 0 HD3 ARG A 1 7.307 15.329 -2.695 1.00 0.00 H new ATOM 0 HE ARG A 1 8.077 12.934 -3.871 1.00 0.00 H new ATOM 0 HH11 ARG A 1 6.969 14.722 -6.298 1.00 0.00 H new ATOM 0 HH12 ARG A 1 8.516 15.248 -6.969 1.00 0.00 H new ATOM 0 HH21 ARG A 1 10.350 14.264 -4.160 1.00 0.00 H new ATOM 0 HH22 ARG A 1 10.414 14.991 -5.769 1.00 0.00 H new ATOM 27 N GLU A 2 2.594 12.172 -0.593 1.00 0.00 N ATOM 28 CA GLU A 2 2.258 11.326 0.586 1.00 0.00 C ATOM 29 C GLU A 2 2.756 9.906 0.320 1.00 0.00 C ATOM 30 O GLU A 2 2.993 9.537 -0.813 1.00 0.00 O ATOM 31 CB GLU A 2 0.742 11.310 0.792 1.00 0.00 C ATOM 32 CG GLU A 2 0.313 12.584 1.523 1.00 0.00 C ATOM 33 CD GLU A 2 -0.453 13.494 0.559 1.00 0.00 C ATOM 34 OE1 GLU A 2 -1.220 12.972 -0.233 1.00 0.00 O ATOM 35 OE2 GLU A 2 -0.258 14.696 0.630 1.00 0.00 O ATOM 0 H GLU A 2 2.226 11.837 -1.483 1.00 0.00 H new ATOM 0 HA GLU A 2 2.732 11.727 1.482 1.00 0.00 H new ATOM 0 HB2 GLU A 2 0.234 11.242 -0.170 1.00 0.00 H new ATOM 0 HB3 GLU A 2 0.452 10.432 1.369 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -0.315 12.332 2.378 1.00 0.00 H new ATOM 0 HG3 GLU A 2 1.188 13.104 1.913 1.00 0.00 H new ATOM 42 N CYS A 3 2.918 9.113 1.352 1.00 0.00 N ATOM 43 CA CYS A 3 3.412 7.712 1.172 1.00 0.00 C ATOM 44 C CYS A 3 4.943 7.732 1.109 1.00 0.00 C ATOM 45 O CYS A 3 5.621 7.003 1.805 1.00 0.00 O ATOM 46 CB CYS A 3 2.850 7.109 -0.123 1.00 0.00 C ATOM 47 SG CYS A 3 1.101 7.561 -0.315 1.00 0.00 S ATOM 0 H CYS A 3 2.728 9.379 2.318 1.00 0.00 H new ATOM 0 HA CYS A 3 3.080 7.101 2.011 1.00 0.00 H new ATOM 0 HB2 CYS A 3 3.422 7.468 -0.979 1.00 0.00 H new ATOM 0 HB3 CYS A 3 2.953 6.024 -0.103 1.00 0.00 H new ATOM 52 N TYR A 4 5.477 8.580 0.282 1.00 0.00 N ATOM 53 CA TYR A 4 6.958 8.705 0.137 1.00 0.00 C ATOM 54 C TYR A 4 7.648 7.354 0.258 1.00 0.00 C ATOM 55 O TYR A 4 7.831 6.668 -0.726 1.00 0.00 O ATOM 56 CB TYR A 4 7.516 9.667 1.193 1.00 0.00 C ATOM 57 CG TYR A 4 6.596 9.699 2.406 1.00 0.00 C ATOM 58 CD1 TYR A 4 5.341 10.315 2.320 1.00 0.00 C ATOM 59 CD2 TYR A 4 7.008 9.117 3.613 1.00 0.00 C ATOM 60 CE1 TYR A 4 4.497 10.348 3.438 1.00 0.00 C ATOM 61 CE2 TYR A 4 6.164 9.150 4.732 1.00 0.00 C ATOM 62 CZ TYR A 4 4.909 9.766 4.644 1.00 0.00 C ATOM 63 OH TYR A 4 4.078 9.799 5.745 1.00 0.00 O ATOM 0 H TYR A 4 4.940 9.209 -0.316 1.00 0.00 H new ATOM 0 HA TYR A 4 7.159 9.101 -0.858 1.00 0.00 H new ATOM 0 HB2 TYR A 4 8.515 9.351 1.492 1.00 0.00 H new ATOM 0 HB3 TYR A 4 7.611 10.668 0.771 1.00 0.00 H new ATOM 0 HD1 TYR A 4 5.024 10.765 1.391 1.00 0.00 H new ATOM 0 HD2 TYR A 4 7.976 8.643 3.681 1.00 0.00 H new ATOM 0 HE1 TYR A 4 3.529 10.822 3.370 1.00 0.00 H new ATOM 0 HE2 TYR A 4 6.481 8.701 5.661 1.00 0.00 H new ATOM 0 HH TYR A 4 3.144 9.801 5.450 1.00 0.00 H new ATOM 73 N LEU A 5 8.065 6.957 1.432 1.00 0.00 N ATOM 74 CA LEU A 5 8.753 5.665 1.529 1.00 0.00 C ATOM 75 C LEU A 5 8.454 4.944 2.843 1.00 0.00 C ATOM 76 O LEU A 5 9.293 4.856 3.718 1.00 0.00 O ATOM 77 CB LEU A 5 10.251 5.829 1.392 1.00 0.00 C ATOM 78 CG LEU A 5 10.577 6.867 0.324 1.00 0.00 C ATOM 79 CD1 LEU A 5 11.983 7.421 0.562 1.00 0.00 C ATOM 80 CD2 LEU A 5 10.511 6.216 -1.060 1.00 0.00 C ATOM 0 H LEU A 5 7.955 7.471 2.306 1.00 0.00 H new ATOM 0 HA LEU A 5 8.372 5.060 0.706 1.00 0.00 H new ATOM 0 HB2 LEU A 5 10.679 6.134 2.347 1.00 0.00 H new ATOM 0 HB3 LEU A 5 10.705 4.873 1.130 1.00 0.00 H new ATOM 0 HG LEU A 5 9.853 7.680 0.376 1.00 0.00 H new ATOM 0 HD11 LEU A 5 12.216 8.163 -0.202 1.00 0.00 H new ATOM 0 HD12 LEU A 5 12.029 7.887 1.546 1.00 0.00 H new ATOM 0 HD13 LEU A 5 12.708 6.608 0.511 1.00 0.00 H new ATOM 0 HD21 LEU A 5 10.744 6.959 -1.823 1.00 0.00 H new ATOM 0 HD22 LEU A 5 11.233 5.401 -1.114 1.00 0.00 H new ATOM 0 HD23 LEU A 5 9.508 5.824 -1.230 1.00 0.00 H new ATOM 92 N ASN A 6 7.291 4.372 2.964 1.00 0.00 N ATOM 93 CA ASN A 6 6.972 3.591 4.194 1.00 0.00 C ATOM 94 C ASN A 6 8.019 2.465 4.253 1.00 0.00 C ATOM 95 O ASN A 6 9.012 2.554 3.559 1.00 0.00 O ATOM 96 CB ASN A 6 5.558 2.986 4.083 1.00 0.00 C ATOM 97 CG ASN A 6 4.711 3.729 3.047 1.00 0.00 C ATOM 98 OD1 ASN A 6 4.362 4.878 3.235 1.00 0.00 O ATOM 99 ND2 ASN A 6 4.365 3.109 1.948 1.00 0.00 N ATOM 0 H ASN A 6 6.547 4.410 2.267 1.00 0.00 H new ATOM 0 HA ASN A 6 6.996 4.216 5.087 1.00 0.00 H new ATOM 0 HB2 ASN A 6 5.632 1.934 3.808 1.00 0.00 H new ATOM 0 HB3 ASN A 6 5.066 3.028 5.055 1.00 0.00 H new ATOM 0 HD21 ASN A 6 3.801 3.590 1.247 1.00 0.00 H new ATOM 0 HD22 ASN A 6 4.659 2.145 1.792 1.00 0.00 H new ATOM 106 N PRO A 7 7.791 1.425 5.025 1.00 0.00 N ATOM 107 CA PRO A 7 8.736 0.298 5.072 1.00 0.00 C ATOM 108 C PRO A 7 8.478 -0.626 3.868 1.00 0.00 C ATOM 109 O PRO A 7 8.372 -1.829 4.004 1.00 0.00 O ATOM 110 CB PRO A 7 8.407 -0.398 6.395 1.00 0.00 C ATOM 111 CG PRO A 7 6.958 0.009 6.757 1.00 0.00 C ATOM 112 CD PRO A 7 6.627 1.267 5.929 1.00 0.00 C ATOM 0 HA PRO A 7 9.784 0.594 5.021 1.00 0.00 H new ATOM 0 HB2 PRO A 7 8.493 -1.480 6.296 1.00 0.00 H new ATOM 0 HB3 PRO A 7 9.102 -0.093 7.177 1.00 0.00 H new ATOM 0 HG2 PRO A 7 6.262 -0.798 6.529 1.00 0.00 H new ATOM 0 HG3 PRO A 7 6.869 0.214 7.824 1.00 0.00 H new ATOM 0 HD2 PRO A 7 5.701 1.142 5.368 1.00 0.00 H new ATOM 0 HD3 PRO A 7 6.497 2.141 6.567 1.00 0.00 H new ATOM 120 N HIS A 8 8.359 -0.055 2.692 1.00 0.00 N ATOM 121 CA HIS A 8 8.091 -0.861 1.469 1.00 0.00 C ATOM 122 C HIS A 8 8.421 -0.017 0.231 1.00 0.00 C ATOM 123 O HIS A 8 9.054 1.016 0.324 1.00 0.00 O ATOM 124 CB HIS A 8 6.610 -1.240 1.445 1.00 0.00 C ATOM 125 CG HIS A 8 6.423 -2.578 2.105 1.00 0.00 C ATOM 126 ND1 HIS A 8 5.197 -2.988 2.608 1.00 0.00 N ATOM 127 CD2 HIS A 8 7.294 -3.609 2.356 1.00 0.00 C ATOM 128 CE1 HIS A 8 5.363 -4.217 3.130 1.00 0.00 C ATOM 129 NE2 HIS A 8 6.623 -4.642 3.004 1.00 0.00 N ATOM 0 H HIS A 8 8.438 0.949 2.531 1.00 0.00 H new ATOM 0 HA HIS A 8 8.704 -1.762 1.470 1.00 0.00 H new ATOM 0 HB2 HIS A 8 6.022 -0.482 1.962 1.00 0.00 H new ATOM 0 HB3 HIS A 8 6.250 -1.276 0.417 1.00 0.00 H new ATOM 0 HD1 HIS A 8 4.328 -2.455 2.586 1.00 0.00 H new ATOM 0 HD2 HIS A 8 8.341 -3.617 2.091 1.00 0.00 H new ATOM 0 HE1 HIS A 8 4.574 -4.790 3.594 1.00 0.00 H new ATOM 137 N ASP A 9 8.000 -0.451 -0.926 1.00 0.00 N ATOM 138 CA ASP A 9 8.287 0.321 -2.175 1.00 0.00 C ATOM 139 C ASP A 9 7.755 1.755 -2.042 1.00 0.00 C ATOM 140 O ASP A 9 8.499 2.711 -2.131 1.00 0.00 O ATOM 141 CB ASP A 9 7.608 -0.365 -3.362 1.00 0.00 C ATOM 142 CG ASP A 9 8.370 -0.036 -4.647 1.00 0.00 C ATOM 143 OD1 ASP A 9 8.849 1.081 -4.760 1.00 0.00 O ATOM 144 OD2 ASP A 9 8.462 -0.906 -5.496 1.00 0.00 O ATOM 0 H ASP A 9 7.467 -1.310 -1.063 1.00 0.00 H new ATOM 0 HA ASP A 9 9.365 0.354 -2.335 1.00 0.00 H new ATOM 0 HB2 ASP A 9 7.584 -1.444 -3.207 1.00 0.00 H new ATOM 0 HB3 ASP A 9 6.573 -0.032 -3.445 1.00 0.00 H new ATOM 149 N THR A 10 6.473 1.906 -1.828 1.00 0.00 N ATOM 150 CA THR A 10 5.878 3.269 -1.679 1.00 0.00 C ATOM 151 C THR A 10 5.646 3.908 -3.051 1.00 0.00 C ATOM 152 O THR A 10 5.891 3.314 -4.082 1.00 0.00 O ATOM 153 CB THR A 10 6.812 4.170 -0.858 1.00 0.00 C ATOM 154 OG1 THR A 10 7.670 3.361 -0.066 1.00 0.00 O ATOM 155 CG2 THR A 10 5.984 5.071 0.053 1.00 0.00 C ATOM 0 H THR A 10 5.807 1.137 -1.749 1.00 0.00 H new ATOM 0 HA THR A 10 4.923 3.166 -1.164 1.00 0.00 H new ATOM 0 HB THR A 10 7.407 4.785 -1.533 1.00 0.00 H new ATOM 0 HG1 THR A 10 8.523 3.235 -0.532 1.00 0.00 H new ATOM 0 HG21 THR A 10 6.649 5.710 0.635 1.00 0.00 H new ATOM 0 HG22 THR A 10 5.323 5.691 -0.552 1.00 0.00 H new ATOM 0 HG23 THR A 10 5.388 4.457 0.728 1.00 0.00 H new ATOM 163 N GLN A 11 5.175 5.125 -3.056 1.00 0.00 N ATOM 164 CA GLN A 11 4.916 5.843 -4.328 1.00 0.00 C ATOM 165 C GLN A 11 4.305 7.209 -4.000 1.00 0.00 C ATOM 166 O GLN A 11 3.104 7.350 -3.885 1.00 0.00 O ATOM 167 CB GLN A 11 3.945 5.032 -5.191 1.00 0.00 C ATOM 168 CG GLN A 11 3.392 5.917 -6.309 1.00 0.00 C ATOM 169 CD GLN A 11 3.560 5.208 -7.655 1.00 0.00 C ATOM 170 OE1 GLN A 11 4.662 4.882 -8.049 1.00 0.00 O ATOM 171 NE2 GLN A 11 2.507 4.955 -8.381 1.00 0.00 N ATOM 0 H GLN A 11 4.956 5.658 -2.215 1.00 0.00 H new ATOM 0 HA GLN A 11 5.847 5.975 -4.879 1.00 0.00 H new ATOM 0 HB2 GLN A 11 4.455 4.168 -5.616 1.00 0.00 H new ATOM 0 HB3 GLN A 11 3.129 4.651 -4.578 1.00 0.00 H new ATOM 0 HG2 GLN A 11 2.339 6.132 -6.129 1.00 0.00 H new ATOM 0 HG3 GLN A 11 3.915 6.873 -6.322 1.00 0.00 H new ATOM 0 HE21 GLN A 11 1.582 5.229 -8.050 1.00 0.00 H new ATOM 0 HE22 GLN A 11 2.608 4.483 -9.280 1.00 0.00 H new ATOM 180 N THR A 12 5.127 8.209 -3.825 1.00 0.00 N ATOM 181 CA THR A 12 4.614 9.560 -3.482 1.00 0.00 C ATOM 182 C THR A 12 3.354 9.877 -4.287 1.00 0.00 C ATOM 183 O THR A 12 3.030 9.218 -5.255 1.00 0.00 O ATOM 184 CB THR A 12 5.684 10.606 -3.785 1.00 0.00 C ATOM 185 OG1 THR A 12 5.723 10.852 -5.183 1.00 0.00 O ATOM 186 CG2 THR A 12 7.048 10.104 -3.311 1.00 0.00 C ATOM 0 H THR A 12 6.142 8.143 -3.907 1.00 0.00 H new ATOM 0 HA THR A 12 4.368 9.579 -2.420 1.00 0.00 H new ATOM 0 HB THR A 12 5.443 11.531 -3.261 1.00 0.00 H new ATOM 0 HG1 THR A 12 6.409 11.525 -5.378 1.00 0.00 H new ATOM 0 HG21 THR A 12 7.808 10.854 -3.530 1.00 0.00 H new ATOM 0 HG22 THR A 12 7.016 9.923 -2.237 1.00 0.00 H new ATOM 0 HG23 THR A 12 7.294 9.177 -3.828 1.00 0.00 H new ATOM 194 N CYS A 13 2.641 10.887 -3.877 1.00 0.00 N ATOM 195 CA CYS A 13 1.394 11.271 -4.585 1.00 0.00 C ATOM 196 C CYS A 13 1.211 12.790 -4.495 1.00 0.00 C ATOM 197 O CYS A 13 0.324 13.265 -3.814 1.00 0.00 O ATOM 198 CB CYS A 13 0.219 10.575 -3.905 1.00 0.00 C ATOM 199 SG CYS A 13 -1.339 11.183 -4.594 1.00 0.00 S ATOM 0 H CYS A 13 2.874 11.468 -3.072 1.00 0.00 H new ATOM 0 HA CYS A 13 1.447 10.976 -5.633 1.00 0.00 H new ATOM 0 HB2 CYS A 13 0.293 9.497 -4.046 1.00 0.00 H new ATOM 0 HB3 CYS A 13 0.248 10.759 -2.831 1.00 0.00 H new ATOM 204 N PRO A 14 2.061 13.505 -5.185 1.00 0.00 N ATOM 205 CA PRO A 14 2.028 14.979 -5.202 1.00 0.00 C ATOM 206 C PRO A 14 0.900 15.477 -6.111 1.00 0.00 C ATOM 207 O PRO A 14 0.561 16.644 -6.111 1.00 0.00 O ATOM 208 CB PRO A 14 3.398 15.363 -5.766 1.00 0.00 C ATOM 209 CG PRO A 14 3.907 14.131 -6.552 1.00 0.00 C ATOM 210 CD PRO A 14 3.132 12.914 -6.014 1.00 0.00 C ATOM 0 HA PRO A 14 1.841 15.416 -4.221 1.00 0.00 H new ATOM 0 HB2 PRO A 14 3.320 16.234 -6.417 1.00 0.00 H new ATOM 0 HB3 PRO A 14 4.089 15.625 -4.964 1.00 0.00 H new ATOM 0 HG2 PRO A 14 3.737 14.257 -7.621 1.00 0.00 H new ATOM 0 HG3 PRO A 14 4.980 13.999 -6.413 1.00 0.00 H new ATOM 0 HD2 PRO A 14 2.722 12.312 -6.825 1.00 0.00 H new ATOM 0 HD3 PRO A 14 3.776 12.260 -5.426 1.00 0.00 H new ATOM 218 N SER A 15 0.317 14.603 -6.882 1.00 0.00 N ATOM 219 CA SER A 15 -0.788 15.028 -7.787 1.00 0.00 C ATOM 220 C SER A 15 -1.905 13.983 -7.753 1.00 0.00 C ATOM 221 O SER A 15 -1.822 12.993 -7.053 1.00 0.00 O ATOM 222 CB SER A 15 -0.257 15.159 -9.214 1.00 0.00 C ATOM 223 OG SER A 15 -0.073 13.862 -9.768 1.00 0.00 O ATOM 0 H SER A 15 0.557 13.613 -6.925 1.00 0.00 H new ATOM 0 HA SER A 15 -1.179 15.990 -7.455 1.00 0.00 H new ATOM 0 HB2 SER A 15 -0.956 15.731 -9.823 1.00 0.00 H new ATOM 0 HB3 SER A 15 0.687 15.704 -9.214 1.00 0.00 H new ATOM 0 HG SER A 15 0.266 13.943 -10.684 1.00 0.00 H new ATOM 229 N GLY A 16 -2.951 14.193 -8.505 1.00 0.00 N ATOM 230 CA GLY A 16 -4.071 13.211 -8.516 1.00 0.00 C ATOM 231 C GLY A 16 -4.842 13.299 -7.197 1.00 0.00 C ATOM 232 O GLY A 16 -5.082 14.371 -6.679 1.00 0.00 O ATOM 0 H GLY A 16 -3.078 15.003 -9.112 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -4.738 13.414 -9.354 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -3.683 12.202 -8.656 1.00 0.00 H new ATOM 236 N GLN A 17 -5.233 12.180 -6.651 1.00 0.00 N ATOM 237 CA GLN A 17 -5.988 12.200 -5.367 1.00 0.00 C ATOM 238 C GLN A 17 -5.052 12.616 -4.230 1.00 0.00 C ATOM 239 O GLN A 17 -3.996 13.174 -4.456 1.00 0.00 O ATOM 240 CB GLN A 17 -6.547 10.803 -5.086 1.00 0.00 C ATOM 241 CG GLN A 17 -7.500 10.398 -6.212 1.00 0.00 C ATOM 242 CD GLN A 17 -7.037 9.073 -6.820 1.00 0.00 C ATOM 243 OE1 GLN A 17 -7.006 8.062 -6.148 1.00 0.00 O ATOM 244 NE2 GLN A 17 -6.672 9.037 -8.072 1.00 0.00 N ATOM 0 H GLN A 17 -5.062 11.252 -7.039 1.00 0.00 H new ATOM 0 HA GLN A 17 -6.809 12.913 -5.437 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -5.733 10.083 -5.008 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -7.072 10.795 -4.131 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -8.515 10.298 -5.826 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -7.525 11.173 -6.978 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -6.698 9.887 -8.636 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -6.360 8.159 -8.487 1.00 0.00 H new ATOM 253 N GLU A 18 -5.430 12.349 -3.010 1.00 0.00 N ATOM 254 CA GLU A 18 -4.561 12.730 -1.861 1.00 0.00 C ATOM 255 C GLU A 18 -4.589 11.620 -0.809 1.00 0.00 C ATOM 256 O GLU A 18 -4.158 11.804 0.313 1.00 0.00 O ATOM 257 CB GLU A 18 -5.077 14.032 -1.241 1.00 0.00 C ATOM 258 CG GLU A 18 -6.436 13.780 -0.588 1.00 0.00 C ATOM 259 CD GLU A 18 -6.276 13.760 0.934 1.00 0.00 C ATOM 260 OE1 GLU A 18 -5.273 14.266 1.410 1.00 0.00 O ATOM 261 OE2 GLU A 18 -7.157 13.238 1.596 1.00 0.00 O ATOM 0 H GLU A 18 -6.302 11.884 -2.759 1.00 0.00 H new ATOM 0 HA GLU A 18 -3.539 12.873 -2.211 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -4.368 14.401 -0.500 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -5.167 14.802 -2.007 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -7.141 14.558 -0.880 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -6.847 12.831 -0.933 1.00 0.00 H new ATOM 268 N ILE A 19 -5.091 10.469 -1.160 1.00 0.00 N ATOM 269 CA ILE A 19 -5.147 9.349 -0.184 1.00 0.00 C ATOM 270 C ILE A 19 -4.033 8.359 -0.485 1.00 0.00 C ATOM 271 O ILE A 19 -3.498 8.313 -1.572 1.00 0.00 O ATOM 272 CB ILE A 19 -6.491 8.636 -0.304 1.00 0.00 C ATOM 273 CG1 ILE A 19 -7.615 9.693 -0.401 1.00 0.00 C ATOM 274 CG2 ILE A 19 -6.691 7.714 0.907 1.00 0.00 C ATOM 275 CD1 ILE A 19 -8.504 9.688 0.851 1.00 0.00 C ATOM 0 H ILE A 19 -5.466 10.257 -2.085 1.00 0.00 H new ATOM 0 HA ILE A 19 -5.028 9.744 0.825 1.00 0.00 H new ATOM 0 HB ILE A 19 -6.517 8.021 -1.203 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -7.175 10.682 -0.532 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -8.225 9.496 -1.282 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -7.651 7.205 0.822 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -5.890 6.976 0.938 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -6.675 8.306 1.822 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -9.283 10.444 0.747 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -8.964 8.707 0.967 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -7.897 9.910 1.729 1.00 0.00 H new ATOM 287 N CYS A 20 -3.692 7.565 0.478 1.00 0.00 N ATOM 288 CA CYS A 20 -2.615 6.557 0.271 1.00 0.00 C ATOM 289 C CYS A 20 -3.166 5.168 0.597 1.00 0.00 C ATOM 290 O CYS A 20 -3.499 4.870 1.724 1.00 0.00 O ATOM 291 CB CYS A 20 -1.433 6.869 1.196 1.00 0.00 C ATOM 292 SG CYS A 20 0.067 6.065 0.569 1.00 0.00 S ATOM 0 H CYS A 20 -4.112 7.566 1.408 1.00 0.00 H new ATOM 0 HA CYS A 20 -2.277 6.587 -0.765 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -1.281 7.947 1.256 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -1.648 6.521 2.206 1.00 0.00 H new ATOM 297 N TYR A 21 -3.252 4.299 -0.366 1.00 0.00 N ATOM 298 CA TYR A 21 -3.772 2.944 -0.052 1.00 0.00 C ATOM 299 C TYR A 21 -2.579 2.033 0.182 1.00 0.00 C ATOM 300 O TYR A 21 -1.480 2.318 -0.250 1.00 0.00 O ATOM 301 CB TYR A 21 -4.643 2.412 -1.203 1.00 0.00 C ATOM 302 CG TYR A 21 -3.781 1.905 -2.337 1.00 0.00 C ATOM 303 CD1 TYR A 21 -3.034 0.726 -2.191 1.00 0.00 C ATOM 304 CD2 TYR A 21 -3.732 2.617 -3.540 1.00 0.00 C ATOM 305 CE1 TYR A 21 -2.238 0.265 -3.246 1.00 0.00 C ATOM 306 CE2 TYR A 21 -2.937 2.156 -4.597 1.00 0.00 C ATOM 307 CZ TYR A 21 -2.190 0.980 -4.449 1.00 0.00 C ATOM 308 OH TYR A 21 -1.407 0.526 -5.491 1.00 0.00 O ATOM 0 H TYR A 21 -2.991 4.462 -1.338 1.00 0.00 H new ATOM 0 HA TYR A 21 -4.401 2.980 0.838 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -5.283 1.608 -0.839 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -5.299 3.204 -1.565 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -3.073 0.174 -1.264 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -4.308 3.523 -3.654 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -1.661 -0.641 -3.132 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -2.900 2.707 -5.525 1.00 0.00 H new ATOM 0 HH TYR A 21 -1.488 1.138 -6.252 1.00 0.00 H new ATOM 318 N VAL A 22 -2.768 0.948 0.863 1.00 0.00 N ATOM 319 CA VAL A 22 -1.614 0.052 1.113 1.00 0.00 C ATOM 320 C VAL A 22 -1.963 -1.369 0.660 1.00 0.00 C ATOM 321 O VAL A 22 -2.803 -2.033 1.236 1.00 0.00 O ATOM 322 CB VAL A 22 -1.265 0.084 2.608 1.00 0.00 C ATOM 323 CG1 VAL A 22 -1.340 1.528 3.125 1.00 0.00 C ATOM 324 CG2 VAL A 22 -2.251 -0.778 3.388 1.00 0.00 C ATOM 0 H VAL A 22 -3.659 0.643 1.254 1.00 0.00 H new ATOM 0 HA VAL A 22 -0.746 0.389 0.546 1.00 0.00 H new ATOM 0 HB VAL A 22 -0.255 -0.303 2.745 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -1.092 1.548 4.186 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -0.632 2.149 2.575 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.349 1.914 2.981 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -1.998 -0.751 4.448 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.261 -0.394 3.246 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -2.199 -1.806 3.028 1.00 0.00 H new ATOM 334 N LYS A 23 -1.322 -1.838 -0.379 1.00 0.00 N ATOM 335 CA LYS A 23 -1.612 -3.212 -0.878 1.00 0.00 C ATOM 336 C LYS A 23 -0.518 -4.150 -0.381 1.00 0.00 C ATOM 337 O LYS A 23 0.656 -3.852 -0.485 1.00 0.00 O ATOM 338 CB LYS A 23 -1.625 -3.212 -2.409 1.00 0.00 C ATOM 339 CG LYS A 23 -3.007 -2.793 -2.911 1.00 0.00 C ATOM 340 CD LYS A 23 -3.653 -3.959 -3.660 1.00 0.00 C ATOM 341 CE LYS A 23 -2.904 -4.197 -4.975 1.00 0.00 C ATOM 342 NZ LYS A 23 -3.499 -5.366 -5.681 1.00 0.00 N ATOM 0 H LYS A 23 -0.611 -1.328 -0.902 1.00 0.00 H new ATOM 0 HA LYS A 23 -2.585 -3.542 -0.513 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -0.866 -2.528 -2.789 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -1.376 -4.204 -2.785 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -3.635 -2.493 -2.072 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -2.920 -1.928 -3.569 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -3.627 -4.859 -3.046 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -4.702 -3.740 -3.861 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -2.963 -3.310 -5.605 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -1.848 -4.378 -4.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -2.837 -5.707 -6.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -3.685 -6.127 -4.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -4.391 -5.081 -6.133 1.00 0.00 H new ATOM 356 N SER A 24 -0.877 -5.271 0.175 1.00 0.00 N ATOM 357 CA SER A 24 0.170 -6.191 0.683 1.00 0.00 C ATOM 358 C SER A 24 -0.121 -7.635 0.270 1.00 0.00 C ATOM 359 O SER A 24 -1.051 -8.257 0.748 1.00 0.00 O ATOM 360 CB SER A 24 0.227 -6.103 2.209 1.00 0.00 C ATOM 361 OG SER A 24 0.602 -4.786 2.589 1.00 0.00 O ATOM 0 H SER A 24 -1.839 -5.586 0.298 1.00 0.00 H new ATOM 0 HA SER A 24 1.127 -5.894 0.254 1.00 0.00 H new ATOM 0 HB2 SER A 24 -0.744 -6.355 2.636 1.00 0.00 H new ATOM 0 HB3 SER A 24 0.944 -6.825 2.600 1.00 0.00 H new ATOM 0 HG SER A 24 0.638 -4.725 3.566 1.00 0.00 H new ATOM 367 N TRP A 25 0.677 -8.174 -0.609 1.00 0.00 N ATOM 368 CA TRP A 25 0.467 -9.585 -1.046 1.00 0.00 C ATOM 369 C TRP A 25 1.821 -10.292 -1.170 1.00 0.00 C ATOM 370 O TRP A 25 2.781 -9.736 -1.665 1.00 0.00 O ATOM 371 CB TRP A 25 -0.226 -9.594 -2.402 1.00 0.00 C ATOM 372 CG TRP A 25 0.647 -8.916 -3.391 1.00 0.00 C ATOM 373 CD1 TRP A 25 1.382 -9.516 -4.350 1.00 0.00 C ATOM 374 CD2 TRP A 25 0.889 -7.507 -3.508 1.00 0.00 C ATOM 375 NE1 TRP A 25 2.044 -8.539 -5.077 1.00 0.00 N ATOM 376 CE2 TRP A 25 1.772 -7.277 -4.587 1.00 0.00 C ATOM 377 CE3 TRP A 25 0.416 -6.417 -2.782 1.00 0.00 C ATOM 378 CZ2 TRP A 25 2.169 -5.984 -4.932 1.00 0.00 C ATOM 379 CZ3 TRP A 25 0.808 -5.129 -3.110 1.00 0.00 C ATOM 380 CH2 TRP A 25 1.685 -4.900 -4.184 1.00 0.00 C ATOM 0 H TRP A 25 1.467 -7.699 -1.045 1.00 0.00 H new ATOM 0 HA TRP A 25 -0.149 -10.103 -0.311 1.00 0.00 H new ATOM 0 HB2 TRP A 25 -0.427 -10.618 -2.716 1.00 0.00 H new ATOM 0 HB3 TRP A 25 -1.188 -9.086 -2.337 1.00 0.00 H new ATOM 0 HD1 TRP A 25 1.444 -10.580 -4.523 1.00 0.00 H new ATOM 0 HE1 TRP A 25 2.654 -8.728 -5.872 1.00 0.00 H new ATOM 0 HE3 TRP A 25 -0.262 -6.577 -1.957 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 2.839 -5.820 -5.763 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 0.436 -4.294 -2.535 1.00 0.00 H new ATOM 0 HH2 TRP A 25 1.985 -3.893 -4.433 1.00 0.00 H new ATOM 391 N CYS A 26 1.899 -11.517 -0.727 1.00 0.00 N ATOM 392 CA CYS A 26 3.183 -12.272 -0.814 1.00 0.00 C ATOM 393 C CYS A 26 2.927 -13.616 -1.493 1.00 0.00 C ATOM 394 O CYS A 26 1.902 -13.829 -2.110 1.00 0.00 O ATOM 395 CB CYS A 26 3.729 -12.513 0.595 1.00 0.00 C ATOM 396 SG CYS A 26 5.394 -11.811 0.727 1.00 0.00 S ATOM 0 H CYS A 26 1.125 -12.031 -0.306 1.00 0.00 H new ATOM 0 HA CYS A 26 3.908 -11.698 -1.391 1.00 0.00 H new ATOM 0 HB2 CYS A 26 3.071 -12.057 1.334 1.00 0.00 H new ATOM 0 HB3 CYS A 26 3.756 -13.582 0.808 1.00 0.00 H new ATOM 401 N ASN A 27 3.851 -14.526 -1.384 1.00 0.00 N ATOM 402 CA ASN A 27 3.666 -15.860 -2.023 1.00 0.00 C ATOM 403 C ASN A 27 3.513 -16.932 -0.941 1.00 0.00 C ATOM 404 O ASN A 27 3.492 -18.113 -1.224 1.00 0.00 O ATOM 405 CB ASN A 27 4.886 -16.181 -2.886 1.00 0.00 C ATOM 406 CG ASN A 27 4.484 -16.174 -4.362 1.00 0.00 C ATOM 407 OD1 ASN A 27 4.720 -17.130 -5.073 1.00 0.00 O ATOM 408 ND2 ASN A 27 3.882 -15.127 -4.856 1.00 0.00 N ATOM 0 H ASN A 27 4.729 -14.405 -0.879 1.00 0.00 H new ATOM 0 HA ASN A 27 2.771 -15.843 -2.645 1.00 0.00 H new ATOM 0 HB2 ASN A 27 5.673 -15.448 -2.709 1.00 0.00 H new ATOM 0 HB3 ASN A 27 5.291 -17.155 -2.613 1.00 0.00 H new ATOM 0 HD21 ASN A 27 3.610 -15.112 -5.839 1.00 0.00 H new ATOM 0 HD22 ASN A 27 3.684 -14.324 -4.259 1.00 0.00 H new ATOM 415 N ALA A 28 3.399 -16.526 0.295 1.00 0.00 N ATOM 416 CA ALA A 28 3.241 -17.512 1.404 1.00 0.00 C ATOM 417 C ALA A 28 4.593 -18.121 1.760 1.00 0.00 C ATOM 418 O ALA A 28 4.692 -18.996 2.597 1.00 0.00 O ATOM 419 CB ALA A 28 2.275 -18.620 0.976 1.00 0.00 C ATOM 0 H ALA A 28 3.409 -15.548 0.586 1.00 0.00 H new ATOM 0 HA ALA A 28 2.840 -17.000 2.279 1.00 0.00 H new ATOM 0 HB1 ALA A 28 2.162 -19.338 1.788 1.00 0.00 H new ATOM 0 HB2 ALA A 28 1.304 -18.185 0.739 1.00 0.00 H new ATOM 0 HB3 ALA A 28 2.670 -19.127 0.096 1.00 0.00 H new ATOM 425 N TRP A 29 5.630 -17.677 1.121 1.00 0.00 N ATOM 426 CA TRP A 29 6.973 -18.233 1.404 1.00 0.00 C ATOM 427 C TRP A 29 8.006 -17.107 1.412 1.00 0.00 C ATOM 428 O TRP A 29 9.175 -17.321 1.160 1.00 0.00 O ATOM 429 CB TRP A 29 7.324 -19.236 0.319 1.00 0.00 C ATOM 430 CG TRP A 29 6.407 -20.409 0.404 1.00 0.00 C ATOM 431 CD1 TRP A 29 5.062 -20.400 0.216 1.00 0.00 C ATOM 432 CD2 TRP A 29 6.769 -21.769 0.699 1.00 0.00 C ATOM 433 NE1 TRP A 29 4.587 -21.692 0.384 1.00 0.00 N ATOM 434 CE2 TRP A 29 5.610 -22.573 0.683 1.00 0.00 C ATOM 435 CE3 TRP A 29 7.997 -22.361 0.975 1.00 0.00 C ATOM 436 CZ2 TRP A 29 5.677 -23.944 0.940 1.00 0.00 C ATOM 437 CZ3 TRP A 29 8.082 -23.739 1.235 1.00 0.00 C ATOM 438 CH2 TRP A 29 6.920 -24.531 1.217 1.00 0.00 C ATOM 0 H TRP A 29 5.605 -16.947 0.409 1.00 0.00 H new ATOM 0 HA TRP A 29 6.973 -18.722 2.378 1.00 0.00 H new ATOM 0 HB2 TRP A 29 7.242 -18.768 -0.662 1.00 0.00 H new ATOM 0 HB3 TRP A 29 8.358 -19.562 0.432 1.00 0.00 H new ATOM 0 HD1 TRP A 29 4.464 -19.533 -0.024 1.00 0.00 H new ATOM 0 HE1 TRP A 29 3.606 -21.959 0.298 1.00 0.00 H new ATOM 0 HE3 TRP A 29 8.892 -21.757 0.990 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 4.781 -24.546 0.926 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 9.040 -24.190 1.449 1.00 0.00 H new ATOM 0 HH2 TRP A 29 6.985 -25.590 1.416 1.00 0.00 H new ATOM 449 N CYS A 30 7.581 -15.904 1.693 1.00 0.00 N ATOM 450 CA CYS A 30 8.518 -14.751 1.716 1.00 0.00 C ATOM 451 C CYS A 30 9.461 -14.798 2.931 1.00 0.00 C ATOM 452 O CYS A 30 9.947 -13.773 3.359 1.00 0.00 O ATOM 453 CB CYS A 30 7.705 -13.462 1.774 1.00 0.00 C ATOM 454 SG CYS A 30 6.625 -13.361 0.326 1.00 0.00 S ATOM 0 H CYS A 30 6.612 -15.672 1.910 1.00 0.00 H new ATOM 0 HA CYS A 30 9.129 -14.794 0.815 1.00 0.00 H new ATOM 0 HB2 CYS A 30 7.110 -13.436 2.687 1.00 0.00 H new ATOM 0 HB3 CYS A 30 8.372 -12.600 1.804 1.00 0.00 H new ATOM 459 N SER A 31 9.733 -15.949 3.497 1.00 0.00 N ATOM 460 CA SER A 31 10.651 -15.988 4.672 1.00 0.00 C ATOM 461 C SER A 31 11.876 -15.129 4.358 1.00 0.00 C ATOM 462 O SER A 31 12.807 -15.568 3.712 1.00 0.00 O ATOM 463 CB SER A 31 11.087 -17.429 4.936 1.00 0.00 C ATOM 464 OG SER A 31 11.966 -17.457 6.052 1.00 0.00 O ATOM 0 H SER A 31 9.363 -16.852 3.199 1.00 0.00 H new ATOM 0 HA SER A 31 10.143 -15.605 5.557 1.00 0.00 H new ATOM 0 HB2 SER A 31 10.216 -18.055 5.129 1.00 0.00 H new ATOM 0 HB3 SER A 31 11.585 -17.837 4.056 1.00 0.00 H new ATOM 0 HG SER A 31 12.246 -18.380 6.225 1.00 0.00 H new ATOM 470 N SER A 32 11.867 -13.899 4.790 1.00 0.00 N ATOM 471 CA SER A 32 13.012 -12.995 4.494 1.00 0.00 C ATOM 472 C SER A 32 13.414 -13.166 3.038 1.00 0.00 C ATOM 473 O SER A 32 14.352 -13.864 2.708 1.00 0.00 O ATOM 474 CB SER A 32 14.195 -13.329 5.383 1.00 0.00 C ATOM 475 OG SER A 32 13.742 -14.022 6.540 1.00 0.00 O ATOM 0 H SER A 32 11.114 -13.480 5.336 1.00 0.00 H new ATOM 0 HA SER A 32 12.711 -11.965 4.684 1.00 0.00 H new ATOM 0 HB2 SER A 32 14.912 -13.942 4.837 1.00 0.00 H new ATOM 0 HB3 SER A 32 14.714 -12.415 5.674 1.00 0.00 H new ATOM 0 HG SER A 32 14.508 -14.239 7.112 1.00 0.00 H new ATOM 481 N ARG A 33 12.699 -12.529 2.172 1.00 0.00 N ATOM 482 CA ARG A 33 13.005 -12.631 0.717 1.00 0.00 C ATOM 483 C ARG A 33 12.797 -11.268 0.051 1.00 0.00 C ATOM 484 O ARG A 33 13.694 -10.450 -0.005 1.00 0.00 O ATOM 485 CB ARG A 33 12.075 -13.661 0.072 1.00 0.00 C ATOM 486 CG ARG A 33 12.806 -14.998 -0.056 1.00 0.00 C ATOM 487 CD ARG A 33 11.883 -16.128 0.406 1.00 0.00 C ATOM 488 NE ARG A 33 12.642 -17.410 0.430 1.00 0.00 N ATOM 489 CZ ARG A 33 12.940 -18.012 -0.690 1.00 0.00 C ATOM 490 NH1 ARG A 33 13.927 -17.573 -1.424 1.00 0.00 N ATOM 491 NH2 ARG A 33 12.253 -19.053 -1.074 1.00 0.00 N ATOM 0 H ARG A 33 11.905 -11.933 2.404 1.00 0.00 H new ATOM 0 HA ARG A 33 14.041 -12.943 0.586 1.00 0.00 H new ATOM 0 HB2 ARG A 33 11.175 -13.783 0.675 1.00 0.00 H new ATOM 0 HB3 ARG A 33 11.756 -13.313 -0.910 1.00 0.00 H new ATOM 0 HG2 ARG A 33 13.110 -15.161 -1.090 1.00 0.00 H new ATOM 0 HG3 ARG A 33 13.715 -14.987 0.545 1.00 0.00 H new ATOM 0 HD2 ARG A 33 11.489 -15.908 1.398 1.00 0.00 H new ATOM 0 HD3 ARG A 33 11.028 -16.211 -0.265 1.00 0.00 H new ATOM 0 HE ARG A 33 12.929 -17.817 1.320 1.00 0.00 H new ATOM 0 HH11 ARG A 33 14.465 -16.760 -1.122 1.00 0.00 H new ATOM 0 HH12 ARG A 33 14.160 -18.043 -2.299 1.00 0.00 H new ATOM 0 HH21 ARG A 33 11.483 -19.396 -0.499 1.00 0.00 H new ATOM 0 HH22 ARG A 33 12.486 -19.523 -1.949 1.00 0.00 H new ATOM 505 N GLY A 34 11.621 -11.020 -0.459 1.00 0.00 N ATOM 506 CA GLY A 34 11.355 -9.713 -1.124 1.00 0.00 C ATOM 507 C GLY A 34 9.853 -9.562 -1.373 1.00 0.00 C ATOM 508 O GLY A 34 9.414 -9.394 -2.493 1.00 0.00 O ATOM 0 H GLY A 34 10.833 -11.667 -0.444 1.00 0.00 H new ATOM 0 HA2 GLY A 34 11.715 -8.895 -0.499 1.00 0.00 H new ATOM 0 HA3 GLY A 34 11.898 -9.656 -2.067 1.00 0.00 H new ATOM 512 N LYS A 35 9.062 -9.618 -0.336 1.00 0.00 N ATOM 513 CA LYS A 35 7.588 -9.473 -0.514 1.00 0.00 C ATOM 514 C LYS A 35 7.304 -8.320 -1.475 1.00 0.00 C ATOM 515 O LYS A 35 8.080 -7.392 -1.596 1.00 0.00 O ATOM 516 CB LYS A 35 6.940 -9.170 0.840 1.00 0.00 C ATOM 517 CG LYS A 35 7.547 -10.076 1.912 1.00 0.00 C ATOM 518 CD LYS A 35 8.380 -9.234 2.882 1.00 0.00 C ATOM 519 CE LYS A 35 9.583 -10.048 3.362 1.00 0.00 C ATOM 520 NZ LYS A 35 10.806 -9.198 3.323 1.00 0.00 N ATOM 0 H LYS A 35 9.372 -9.758 0.626 1.00 0.00 H new ATOM 0 HA LYS A 35 7.178 -10.398 -0.919 1.00 0.00 H new ATOM 0 HB2 LYS A 35 7.095 -8.124 1.103 1.00 0.00 H new ATOM 0 HB3 LYS A 35 5.863 -9.328 0.783 1.00 0.00 H new ATOM 0 HG2 LYS A 35 6.757 -10.597 2.453 1.00 0.00 H new ATOM 0 HG3 LYS A 35 8.172 -10.839 1.447 1.00 0.00 H new ATOM 0 HD2 LYS A 35 8.718 -8.322 2.390 1.00 0.00 H new ATOM 0 HD3 LYS A 35 7.770 -8.931 3.733 1.00 0.00 H new ATOM 0 HE2 LYS A 35 9.410 -10.409 4.376 1.00 0.00 H new ATOM 0 HE3 LYS A 35 9.717 -10.926 2.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 11.624 -9.751 3.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 10.973 -8.875 2.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 10.676 -8.374 3.944 1.00 0.00 H new ATOM 534 N VAL A 36 6.191 -8.364 -2.152 1.00 0.00 N ATOM 535 CA VAL A 36 5.846 -7.265 -3.096 1.00 0.00 C ATOM 536 C VAL A 36 4.777 -6.397 -2.440 1.00 0.00 C ATOM 537 O VAL A 36 3.675 -6.274 -2.926 1.00 0.00 O ATOM 538 CB VAL A 36 5.299 -7.846 -4.409 1.00 0.00 C ATOM 539 CG1 VAL A 36 5.896 -7.081 -5.593 1.00 0.00 C ATOM 540 CG2 VAL A 36 5.676 -9.329 -4.526 1.00 0.00 C ATOM 0 H VAL A 36 5.504 -9.115 -2.092 1.00 0.00 H new ATOM 0 HA VAL A 36 6.735 -6.676 -3.322 1.00 0.00 H new ATOM 0 HB VAL A 36 4.213 -7.749 -4.414 1.00 0.00 H new ATOM 0 HG11 VAL A 36 5.508 -7.493 -6.525 1.00 0.00 H new ATOM 0 HG12 VAL A 36 5.624 -6.028 -5.520 1.00 0.00 H new ATOM 0 HG13 VAL A 36 6.982 -7.177 -5.578 1.00 0.00 H new ATOM 0 HG21 VAL A 36 5.284 -9.732 -5.460 1.00 0.00 H new ATOM 0 HG22 VAL A 36 6.761 -9.431 -4.515 1.00 0.00 H new ATOM 0 HG23 VAL A 36 5.251 -9.880 -3.687 1.00 0.00 H new ATOM 550 N LEU A 37 5.083 -5.826 -1.310 1.00 0.00 N ATOM 551 CA LEU A 37 4.084 -5.004 -0.590 1.00 0.00 C ATOM 552 C LEU A 37 4.419 -3.516 -0.740 1.00 0.00 C ATOM 553 O LEU A 37 5.387 -3.036 -0.193 1.00 0.00 O ATOM 554 CB LEU A 37 4.151 -5.399 0.885 1.00 0.00 C ATOM 555 CG LEU A 37 3.442 -6.746 1.120 1.00 0.00 C ATOM 556 CD1 LEU A 37 3.573 -7.654 -0.111 1.00 0.00 C ATOM 557 CD2 LEU A 37 4.075 -7.446 2.320 1.00 0.00 C ATOM 0 H LEU A 37 5.992 -5.897 -0.853 1.00 0.00 H new ATOM 0 HA LEU A 37 3.086 -5.171 -0.996 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.192 -5.470 1.201 1.00 0.00 H new ATOM 0 HB3 LEU A 37 3.685 -4.626 1.495 1.00 0.00 H new ATOM 0 HG LEU A 37 2.385 -6.553 1.305 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.065 -8.599 0.078 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.120 -7.165 -0.974 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.627 -7.843 -0.313 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.576 -8.400 2.490 1.00 0.00 H new ATOM 0 HD22 LEU A 37 5.133 -7.620 2.123 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.969 -6.819 3.205 1.00 0.00 H new ATOM 569 N GLU A 38 3.624 -2.782 -1.477 1.00 0.00 N ATOM 570 CA GLU A 38 3.899 -1.323 -1.655 1.00 0.00 C ATOM 571 C GLU A 38 2.595 -0.531 -1.511 1.00 0.00 C ATOM 572 O GLU A 38 1.516 -1.042 -1.747 1.00 0.00 O ATOM 573 CB GLU A 38 4.489 -1.081 -3.046 1.00 0.00 C ATOM 574 CG GLU A 38 3.583 -1.715 -4.103 1.00 0.00 C ATOM 575 CD GLU A 38 4.423 -2.137 -5.311 1.00 0.00 C ATOM 576 OE1 GLU A 38 5.638 -2.072 -5.214 1.00 0.00 O ATOM 577 OE2 GLU A 38 3.837 -2.517 -6.311 1.00 0.00 O ATOM 0 H GLU A 38 2.797 -3.129 -1.963 1.00 0.00 H new ATOM 0 HA GLU A 38 4.608 -0.995 -0.895 1.00 0.00 H new ATOM 0 HB2 GLU A 38 4.587 -0.011 -3.230 1.00 0.00 H new ATOM 0 HB3 GLU A 38 5.490 -1.507 -3.107 1.00 0.00 H new ATOM 0 HG2 GLU A 38 3.069 -2.580 -3.684 1.00 0.00 H new ATOM 0 HG3 GLU A 38 2.815 -1.006 -4.411 1.00 0.00 H new ATOM 584 N PHE A 39 2.690 0.717 -1.136 1.00 0.00 N ATOM 585 CA PHE A 39 1.470 1.548 -0.982 1.00 0.00 C ATOM 586 C PHE A 39 1.534 2.714 -1.974 1.00 0.00 C ATOM 587 O PHE A 39 2.598 3.204 -2.294 1.00 0.00 O ATOM 588 CB PHE A 39 1.395 2.076 0.455 1.00 0.00 C ATOM 589 CG PHE A 39 1.707 0.951 1.416 1.00 0.00 C ATOM 590 CD1 PHE A 39 1.366 -0.367 1.084 1.00 0.00 C ATOM 591 CD2 PHE A 39 2.346 1.221 2.634 1.00 0.00 C ATOM 592 CE1 PHE A 39 1.659 -1.413 1.967 1.00 0.00 C ATOM 593 CE2 PHE A 39 2.642 0.173 3.518 1.00 0.00 C ATOM 594 CZ PHE A 39 2.299 -1.146 3.183 1.00 0.00 C ATOM 0 H PHE A 39 3.567 1.195 -0.930 1.00 0.00 H new ATOM 0 HA PHE A 39 0.580 0.952 -1.185 1.00 0.00 H new ATOM 0 HB2 PHE A 39 2.103 2.894 0.592 1.00 0.00 H new ATOM 0 HB3 PHE A 39 0.402 2.477 0.656 1.00 0.00 H new ATOM 0 HD1 PHE A 39 0.876 -0.576 0.145 1.00 0.00 H new ATOM 0 HD2 PHE A 39 2.610 2.236 2.892 1.00 0.00 H new ATOM 0 HE1 PHE A 39 1.391 -2.427 1.710 1.00 0.00 H new ATOM 0 HE2 PHE A 39 3.134 0.381 4.457 1.00 0.00 H new ATOM 0 HZ PHE A 39 2.528 -1.954 3.862 1.00 0.00 H new ATOM 604 N GLY A 40 0.411 3.155 -2.479 1.00 0.00 N ATOM 605 CA GLY A 40 0.437 4.276 -3.463 1.00 0.00 C ATOM 606 C GLY A 40 -0.605 5.332 -3.094 1.00 0.00 C ATOM 607 O GLY A 40 -0.925 5.528 -1.937 1.00 0.00 O ATOM 0 H GLY A 40 -0.515 2.791 -2.255 1.00 0.00 H new ATOM 0 HA2 GLY A 40 1.429 4.727 -3.485 1.00 0.00 H new ATOM 0 HA3 GLY A 40 0.239 3.894 -4.464 1.00 0.00 H new ATOM 611 N CYS A 41 -1.138 6.014 -4.073 1.00 0.00 N ATOM 612 CA CYS A 41 -2.150 7.060 -3.795 1.00 0.00 C ATOM 613 C CYS A 41 -3.530 6.469 -4.017 1.00 0.00 C ATOM 614 O CYS A 41 -3.680 5.328 -4.402 1.00 0.00 O ATOM 615 CB CYS A 41 -1.940 8.225 -4.763 1.00 0.00 C ATOM 616 SG CYS A 41 -2.674 9.748 -4.108 1.00 0.00 S ATOM 0 H CYS A 41 -0.910 5.886 -5.059 1.00 0.00 H new ATOM 0 HA CYS A 41 -2.055 7.414 -2.768 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -0.874 8.374 -4.934 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -2.387 7.987 -5.728 1.00 0.00 H new ATOM 621 N ALA A 42 -4.533 7.241 -3.777 1.00 0.00 N ATOM 622 CA ALA A 42 -5.922 6.744 -3.965 1.00 0.00 C ATOM 623 C ALA A 42 -6.920 7.811 -3.519 1.00 0.00 C ATOM 624 O ALA A 42 -6.555 8.900 -3.120 1.00 0.00 O ATOM 625 CB ALA A 42 -6.127 5.479 -3.130 1.00 0.00 C ATOM 0 H ALA A 42 -4.459 8.206 -3.455 1.00 0.00 H new ATOM 0 HA ALA A 42 -6.082 6.519 -5.019 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -7.145 5.114 -3.267 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.420 4.713 -3.450 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.962 5.707 -2.077 1.00 0.00 H new ATOM 631 N ALA A 43 -8.177 7.496 -3.593 1.00 0.00 N ATOM 632 CA ALA A 43 -9.229 8.463 -3.190 1.00 0.00 C ATOM 633 C ALA A 43 -9.899 7.988 -1.897 1.00 0.00 C ATOM 634 O ALA A 43 -10.159 8.765 -1.000 1.00 0.00 O ATOM 635 CB ALA A 43 -10.276 8.560 -4.299 1.00 0.00 C ATOM 0 H ALA A 43 -8.527 6.596 -3.921 1.00 0.00 H new ATOM 0 HA ALA A 43 -8.778 9.441 -3.023 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -11.051 9.269 -4.007 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -9.801 8.900 -5.219 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -10.724 7.580 -4.463 1.00 0.00 H new ATOM 641 N THR A 44 -10.186 6.717 -1.793 1.00 0.00 N ATOM 642 CA THR A 44 -10.840 6.206 -0.557 1.00 0.00 C ATOM 643 C THR A 44 -10.471 4.735 -0.349 1.00 0.00 C ATOM 644 O THR A 44 -10.244 4.001 -1.289 1.00 0.00 O ATOM 645 CB THR A 44 -12.358 6.339 -0.693 1.00 0.00 C ATOM 646 OG1 THR A 44 -12.973 5.989 0.539 1.00 0.00 O ATOM 647 CG2 THR A 44 -12.856 5.407 -1.798 1.00 0.00 C ATOM 0 H THR A 44 -9.996 6.015 -2.508 1.00 0.00 H new ATOM 0 HA THR A 44 -10.499 6.787 0.300 1.00 0.00 H new ATOM 0 HB THR A 44 -12.613 7.368 -0.948 1.00 0.00 H new ATOM 0 HG1 THR A 44 -13.946 6.075 0.455 1.00 0.00 H new ATOM 0 HG21 THR A 44 -13.938 5.502 -1.894 1.00 0.00 H new ATOM 0 HG22 THR A 44 -12.382 5.676 -2.742 1.00 0.00 H new ATOM 0 HG23 THR A 44 -12.603 4.377 -1.546 1.00 0.00 H new ATOM 655 N CYS A 45 -10.410 4.309 0.883 1.00 0.00 N ATOM 656 CA CYS A 45 -10.060 2.908 1.194 1.00 0.00 C ATOM 657 C CYS A 45 -10.707 1.955 0.172 1.00 0.00 C ATOM 658 O CYS A 45 -11.916 1.842 0.132 1.00 0.00 O ATOM 659 CB CYS A 45 -10.585 2.593 2.590 1.00 0.00 C ATOM 660 SG CYS A 45 -9.870 1.041 3.180 1.00 0.00 S ATOM 0 H CYS A 45 -10.593 4.892 1.700 1.00 0.00 H new ATOM 0 HA CYS A 45 -8.979 2.775 1.149 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -10.333 3.403 3.274 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -11.672 2.519 2.571 1.00 0.00 H new ATOM 665 N PRO A 46 -9.895 1.296 -0.630 1.00 0.00 N ATOM 666 CA PRO A 46 -10.395 0.357 -1.650 1.00 0.00 C ATOM 667 C PRO A 46 -10.703 -1.008 -1.024 1.00 0.00 C ATOM 668 O PRO A 46 -10.633 -1.182 0.176 1.00 0.00 O ATOM 669 CB PRO A 46 -9.232 0.251 -2.639 1.00 0.00 C ATOM 670 CG PRO A 46 -7.956 0.664 -1.866 1.00 0.00 C ATOM 671 CD PRO A 46 -8.421 1.418 -0.606 1.00 0.00 C ATOM 0 HA PRO A 46 -11.321 0.690 -2.118 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -9.141 -0.765 -3.023 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -9.393 0.903 -3.498 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -7.367 -0.213 -1.596 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -7.319 1.298 -2.483 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -8.000 0.979 0.298 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -8.108 2.462 -0.629 1.00 0.00 H new ATOM 679 N SER A 47 -11.043 -1.977 -1.832 1.00 0.00 N ATOM 680 CA SER A 47 -11.354 -3.329 -1.287 1.00 0.00 C ATOM 681 C SER A 47 -10.221 -4.294 -1.646 1.00 0.00 C ATOM 682 O SER A 47 -9.098 -3.888 -1.863 1.00 0.00 O ATOM 683 CB SER A 47 -12.665 -3.834 -1.890 1.00 0.00 C ATOM 684 OG SER A 47 -12.452 -4.184 -3.251 1.00 0.00 O ATOM 0 H SER A 47 -11.119 -1.890 -2.845 1.00 0.00 H new ATOM 0 HA SER A 47 -11.453 -3.271 -0.203 1.00 0.00 H new ATOM 0 HB2 SER A 47 -13.026 -4.698 -1.332 1.00 0.00 H new ATOM 0 HB3 SER A 47 -13.433 -3.064 -1.816 1.00 0.00 H new ATOM 0 HG SER A 47 -13.290 -4.510 -3.640 1.00 0.00 H new ATOM 690 N VAL A 48 -10.505 -5.566 -1.711 1.00 0.00 N ATOM 691 CA VAL A 48 -9.440 -6.551 -2.054 1.00 0.00 C ATOM 692 C VAL A 48 -9.596 -6.994 -3.510 1.00 0.00 C ATOM 693 O VAL A 48 -10.466 -7.774 -3.843 1.00 0.00 O ATOM 694 CB VAL A 48 -9.551 -7.756 -1.133 1.00 0.00 C ATOM 695 CG1 VAL A 48 -8.703 -8.909 -1.677 1.00 0.00 C ATOM 696 CG2 VAL A 48 -9.060 -7.377 0.265 1.00 0.00 C ATOM 0 H VAL A 48 -11.428 -5.966 -1.542 1.00 0.00 H new ATOM 0 HA VAL A 48 -8.462 -6.088 -1.926 1.00 0.00 H new ATOM 0 HB VAL A 48 -10.593 -8.072 -1.081 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -8.788 -9.768 -1.012 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -9.057 -9.183 -2.671 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -7.660 -8.597 -1.736 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -9.140 -8.241 0.925 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -8.020 -7.056 0.211 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -9.670 -6.563 0.657 1.00 0.00 H new ATOM 706 N ASN A 49 -8.762 -6.496 -4.384 1.00 0.00 N ATOM 707 CA ASN A 49 -8.862 -6.880 -5.815 1.00 0.00 C ATOM 708 C ASN A 49 -8.593 -8.382 -5.971 1.00 0.00 C ATOM 709 O ASN A 49 -9.450 -9.203 -5.714 1.00 0.00 O ATOM 710 CB ASN A 49 -7.845 -6.078 -6.630 1.00 0.00 C ATOM 711 CG ASN A 49 -7.896 -6.524 -8.093 1.00 0.00 C ATOM 712 OD1 ASN A 49 -6.928 -7.037 -8.618 1.00 0.00 O ATOM 713 ND2 ASN A 49 -8.993 -6.348 -8.778 1.00 0.00 N ATOM 0 H ASN A 49 -8.015 -5.838 -4.164 1.00 0.00 H new ATOM 0 HA ASN A 49 -9.866 -6.663 -6.179 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -8.063 -5.013 -6.556 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -6.843 -6.227 -6.228 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -9.037 -6.641 -9.754 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -9.806 -5.917 -8.337 1.00 0.00 H new ATOM 720 N THR A 50 -7.408 -8.753 -6.386 1.00 0.00 N ATOM 721 CA THR A 50 -7.095 -10.201 -6.550 1.00 0.00 C ATOM 722 C THR A 50 -6.960 -10.838 -5.164 1.00 0.00 C ATOM 723 O THR A 50 -7.668 -10.484 -4.242 1.00 0.00 O ATOM 724 CB THR A 50 -5.783 -10.346 -7.331 1.00 0.00 C ATOM 725 OG1 THR A 50 -5.644 -11.686 -7.781 1.00 0.00 O ATOM 726 CG2 THR A 50 -4.603 -9.977 -6.430 1.00 0.00 C ATOM 0 H THR A 50 -6.646 -8.115 -6.617 1.00 0.00 H new ATOM 0 HA THR A 50 -7.892 -10.702 -7.100 1.00 0.00 H new ATOM 0 HB THR A 50 -5.798 -9.677 -8.191 1.00 0.00 H new ATOM 0 HG1 THR A 50 -4.806 -11.778 -8.281 1.00 0.00 H new ATOM 0 HG21 THR A 50 -3.673 -10.081 -6.988 1.00 0.00 H new ATOM 0 HG22 THR A 50 -4.711 -8.946 -6.093 1.00 0.00 H new ATOM 0 HG23 THR A 50 -4.584 -10.641 -5.566 1.00 0.00 H new ATOM 734 N GLY A 51 -6.045 -11.754 -4.996 1.00 0.00 N ATOM 735 CA GLY A 51 -5.861 -12.381 -3.656 1.00 0.00 C ATOM 736 C GLY A 51 -4.900 -11.513 -2.842 1.00 0.00 C ATOM 737 O GLY A 51 -4.039 -12.006 -2.141 1.00 0.00 O ATOM 0 H GLY A 51 -5.419 -12.094 -5.726 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -6.819 -12.468 -3.144 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -5.463 -13.390 -3.761 1.00 0.00 H new ATOM 741 N THR A 52 -5.040 -10.218 -2.942 1.00 0.00 N ATOM 742 CA THR A 52 -4.144 -9.296 -2.196 1.00 0.00 C ATOM 743 C THR A 52 -4.929 -8.648 -1.053 1.00 0.00 C ATOM 744 O THR A 52 -6.142 -8.573 -1.088 1.00 0.00 O ATOM 745 CB THR A 52 -3.640 -8.214 -3.162 1.00 0.00 C ATOM 746 OG1 THR A 52 -2.621 -8.756 -3.995 1.00 0.00 O ATOM 747 CG2 THR A 52 -3.077 -7.031 -2.370 1.00 0.00 C ATOM 0 H THR A 52 -5.746 -9.757 -3.516 1.00 0.00 H new ATOM 0 HA THR A 52 -3.296 -9.843 -1.782 1.00 0.00 H new ATOM 0 HB THR A 52 -4.470 -7.870 -3.779 1.00 0.00 H new ATOM 0 HG1 THR A 52 -2.301 -8.065 -4.612 1.00 0.00 H new ATOM 0 HG21 THR A 52 -2.721 -6.267 -3.061 1.00 0.00 H new ATOM 0 HG22 THR A 52 -3.859 -6.612 -1.737 1.00 0.00 H new ATOM 0 HG23 THR A 52 -2.249 -7.371 -1.747 1.00 0.00 H new ATOM 755 N GLU A 53 -4.252 -8.174 -0.042 1.00 0.00 N ATOM 756 CA GLU A 53 -4.972 -7.533 1.090 1.00 0.00 C ATOM 757 C GLU A 53 -4.821 -6.013 0.990 1.00 0.00 C ATOM 758 O GLU A 53 -3.734 -5.482 1.095 1.00 0.00 O ATOM 759 CB GLU A 53 -4.387 -8.027 2.417 1.00 0.00 C ATOM 760 CG GLU A 53 -3.020 -7.380 2.651 1.00 0.00 C ATOM 761 CD GLU A 53 -2.124 -8.342 3.435 1.00 0.00 C ATOM 762 OE1 GLU A 53 -2.059 -9.500 3.057 1.00 0.00 O ATOM 763 OE2 GLU A 53 -1.519 -7.904 4.398 1.00 0.00 O ATOM 0 H GLU A 53 -3.236 -8.204 0.047 1.00 0.00 H new ATOM 0 HA GLU A 53 -6.029 -7.795 1.047 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.062 -7.781 3.237 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -4.288 -9.112 2.400 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -2.556 -7.131 1.697 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -3.138 -6.446 3.201 1.00 0.00 H new ATOM 770 N ILE A 54 -5.897 -5.305 0.786 1.00 0.00 N ATOM 771 CA ILE A 54 -5.797 -3.831 0.681 1.00 0.00 C ATOM 772 C ILE A 54 -6.189 -3.218 2.030 1.00 0.00 C ATOM 773 O ILE A 54 -6.891 -3.818 2.819 1.00 0.00 O ATOM 774 CB ILE A 54 -6.734 -3.350 -0.446 1.00 0.00 C ATOM 775 CG1 ILE A 54 -5.891 -2.853 -1.622 1.00 0.00 C ATOM 776 CG2 ILE A 54 -7.643 -2.216 0.040 1.00 0.00 C ATOM 777 CD1 ILE A 54 -6.789 -2.640 -2.843 1.00 0.00 C ATOM 0 H ILE A 54 -6.838 -5.687 0.688 1.00 0.00 H new ATOM 0 HA ILE A 54 -4.780 -3.521 0.440 1.00 0.00 H new ATOM 0 HB ILE A 54 -7.361 -4.186 -0.756 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -5.393 -1.920 -1.357 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -5.110 -3.577 -1.854 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -8.293 -1.896 -0.775 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -8.252 -2.569 0.873 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -7.032 -1.375 0.368 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -6.187 -2.286 -3.680 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -7.266 -3.582 -3.112 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -7.554 -1.900 -2.607 1.00 0.00 H new ATOM 789 N LYS A 55 -5.747 -2.024 2.290 1.00 0.00 N ATOM 790 CA LYS A 55 -6.095 -1.364 3.571 1.00 0.00 C ATOM 791 C LYS A 55 -6.157 0.146 3.351 1.00 0.00 C ATOM 792 O LYS A 55 -5.775 0.648 2.306 1.00 0.00 O ATOM 793 CB LYS A 55 -5.040 -1.697 4.625 1.00 0.00 C ATOM 794 CG LYS A 55 -5.490 -2.923 5.417 1.00 0.00 C ATOM 795 CD LYS A 55 -5.667 -2.548 6.890 1.00 0.00 C ATOM 796 CE LYS A 55 -7.068 -2.951 7.354 1.00 0.00 C ATOM 797 NZ LYS A 55 -6.968 -4.117 8.277 1.00 0.00 N ATOM 0 H LYS A 55 -5.156 -1.474 1.666 1.00 0.00 H new ATOM 0 HA LYS A 55 -7.064 -1.721 3.920 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -4.080 -1.891 4.147 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -4.898 -0.849 5.295 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -6.428 -3.305 5.014 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -4.754 -3.721 5.321 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -4.913 -3.049 7.497 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -5.522 -1.476 7.023 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -7.551 -2.114 7.859 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -7.688 -3.206 6.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -7.920 -4.392 8.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -6.524 -4.916 7.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -6.390 -3.858 9.102 1.00 0.00 H new ATOM 811 N CYS A 56 -6.638 0.872 4.319 1.00 0.00 N ATOM 812 CA CYS A 56 -6.745 2.350 4.165 1.00 0.00 C ATOM 813 C CYS A 56 -5.565 3.012 4.869 1.00 0.00 C ATOM 814 O CYS A 56 -5.284 2.745 6.021 1.00 0.00 O ATOM 815 CB CYS A 56 -8.056 2.858 4.791 1.00 0.00 C ATOM 816 SG CYS A 56 -9.224 1.489 5.041 1.00 0.00 S ATOM 0 H CYS A 56 -6.963 0.505 5.214 1.00 0.00 H new ATOM 0 HA CYS A 56 -6.738 2.599 3.104 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -7.845 3.341 5.745 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -8.505 3.612 4.144 1.00 0.00 H new ATOM 821 N CYS A 57 -4.860 3.865 4.180 1.00 0.00 N ATOM 822 CA CYS A 57 -3.687 4.532 4.801 1.00 0.00 C ATOM 823 C CYS A 57 -3.586 5.969 4.307 1.00 0.00 C ATOM 824 O CYS A 57 -4.130 6.343 3.288 1.00 0.00 O ATOM 825 CB CYS A 57 -2.420 3.772 4.408 1.00 0.00 C ATOM 826 SG CYS A 57 -0.973 4.592 5.117 1.00 0.00 S ATOM 0 H CYS A 57 -5.047 4.128 3.212 1.00 0.00 H new ATOM 0 HA CYS A 57 -3.801 4.535 5.885 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -2.477 2.743 4.763 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -2.331 3.731 3.322 1.00 0.00 H new ATOM 831 N SER A 58 -2.888 6.776 5.035 1.00 0.00 N ATOM 832 CA SER A 58 -2.725 8.193 4.628 1.00 0.00 C ATOM 833 C SER A 58 -1.899 8.933 5.676 1.00 0.00 C ATOM 834 O SER A 58 -1.931 10.145 5.753 1.00 0.00 O ATOM 835 CB SER A 58 -4.099 8.856 4.507 1.00 0.00 C ATOM 836 OG SER A 58 -3.988 10.022 3.702 1.00 0.00 O ATOM 0 H SER A 58 -2.418 6.517 5.902 1.00 0.00 H new ATOM 0 HA SER A 58 -2.216 8.234 3.665 1.00 0.00 H new ATOM 0 HB2 SER A 58 -4.813 8.161 4.065 1.00 0.00 H new ATOM 0 HB3 SER A 58 -4.478 9.117 5.495 1.00 0.00 H new ATOM 0 HG SER A 58 -3.253 10.579 4.033 1.00 0.00 H new ATOM 842 N ALA A 59 -1.163 8.229 6.496 1.00 0.00 N ATOM 843 CA ALA A 59 -0.361 8.942 7.532 1.00 0.00 C ATOM 844 C ALA A 59 0.782 8.058 7.997 1.00 0.00 C ATOM 845 O ALA A 59 0.855 7.719 9.162 1.00 0.00 O ATOM 846 CB ALA A 59 -1.258 9.251 8.726 1.00 0.00 C ATOM 0 H ALA A 59 -1.083 7.212 6.495 1.00 0.00 H new ATOM 0 HA ALA A 59 0.039 9.863 7.108 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -0.681 9.773 9.489 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -2.087 9.881 8.405 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -1.648 8.321 9.139 1.00 0.00 H new ATOM 852 N ASP A 60 1.676 7.678 7.114 1.00 0.00 N ATOM 853 CA ASP A 60 2.803 6.803 7.521 1.00 0.00 C ATOM 854 C ASP A 60 2.273 5.793 8.546 1.00 0.00 C ATOM 855 O ASP A 60 2.951 5.349 9.451 1.00 0.00 O ATOM 856 CB ASP A 60 3.884 7.707 8.091 1.00 0.00 C ATOM 857 CG ASP A 60 4.834 6.923 8.999 1.00 0.00 C ATOM 858 OD1 ASP A 60 5.511 6.042 8.496 1.00 0.00 O ATOM 859 OD2 ASP A 60 4.867 7.217 10.183 1.00 0.00 O ATOM 0 H ASP A 60 1.667 7.941 6.129 1.00 0.00 H new ATOM 0 HA ASP A 60 3.228 6.236 6.692 1.00 0.00 H new ATOM 0 HB2 ASP A 60 4.447 8.163 7.277 1.00 0.00 H new ATOM 0 HB3 ASP A 60 3.424 8.519 8.655 1.00 0.00 H new ATOM 864 N LYS A 61 1.027 5.443 8.383 1.00 0.00 N ATOM 865 CA LYS A 61 0.370 4.485 9.296 1.00 0.00 C ATOM 866 C LYS A 61 -0.010 3.238 8.496 1.00 0.00 C ATOM 867 O LYS A 61 -0.571 2.295 9.019 1.00 0.00 O ATOM 868 CB LYS A 61 -0.883 5.149 9.894 1.00 0.00 C ATOM 869 CG LYS A 61 -1.940 4.096 10.241 1.00 0.00 C ATOM 870 CD LYS A 61 -3.172 4.784 10.831 1.00 0.00 C ATOM 871 CE LYS A 61 -3.365 4.333 12.280 1.00 0.00 C ATOM 872 NZ LYS A 61 -4.254 5.296 12.986 1.00 0.00 N ATOM 0 H LYS A 61 0.428 5.793 7.635 1.00 0.00 H new ATOM 0 HA LYS A 61 1.038 4.199 10.109 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -0.612 5.708 10.789 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -1.295 5.865 9.183 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -2.216 3.535 9.348 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -1.534 3.379 10.955 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -3.052 5.867 10.789 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -4.056 4.538 10.242 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -3.800 3.334 12.306 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -2.401 4.274 12.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -4.385 4.989 13.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -3.822 6.242 12.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -5.177 5.331 12.508 1.00 0.00 H new ATOM 886 N CYS A 62 0.293 3.240 7.228 1.00 0.00 N ATOM 887 CA CYS A 62 -0.039 2.074 6.365 1.00 0.00 C ATOM 888 C CYS A 62 0.229 0.776 7.132 1.00 0.00 C ATOM 889 O CYS A 62 -0.397 -0.238 6.894 1.00 0.00 O ATOM 890 CB CYS A 62 0.839 2.116 5.110 1.00 0.00 C ATOM 891 SG CYS A 62 0.610 3.691 4.232 1.00 0.00 S ATOM 0 H CYS A 62 0.762 4.009 6.748 1.00 0.00 H new ATOM 0 HA CYS A 62 -1.091 2.114 6.082 1.00 0.00 H new ATOM 0 HB2 CYS A 62 1.886 1.995 5.387 1.00 0.00 H new ATOM 0 HB3 CYS A 62 0.585 1.285 4.452 1.00 0.00 H new ATOM 896 N ASN A 63 1.155 0.801 8.051 1.00 0.00 N ATOM 897 CA ASN A 63 1.467 -0.421 8.833 1.00 0.00 C ATOM 898 C ASN A 63 1.491 -0.080 10.324 1.00 0.00 C ATOM 899 O ASN A 63 2.465 0.435 10.836 1.00 0.00 O ATOM 900 CB ASN A 63 2.837 -0.945 8.409 1.00 0.00 C ATOM 901 CG ASN A 63 3.875 0.171 8.543 1.00 0.00 C ATOM 902 OD1 ASN A 63 4.626 0.204 9.498 1.00 0.00 O ATOM 903 ND2 ASN A 63 3.949 1.092 7.623 1.00 0.00 N ATOM 0 H ASN A 63 1.710 1.622 8.293 1.00 0.00 H new ATOM 0 HA ASN A 63 0.708 -1.181 8.649 1.00 0.00 H new ATOM 0 HB2 ASN A 63 3.120 -1.796 9.029 1.00 0.00 H new ATOM 0 HB3 ASN A 63 2.800 -1.299 7.379 1.00 0.00 H new ATOM 0 HD21 ASN A 63 4.637 1.840 7.705 1.00 0.00 H new ATOM 0 HD22 ASN A 63 3.319 1.064 6.822 1.00 0.00 H new ATOM 910 N THR A 64 0.427 -0.360 11.025 1.00 0.00 N ATOM 911 CA THR A 64 0.392 -0.049 12.483 1.00 0.00 C ATOM 912 C THR A 64 0.243 -1.340 13.290 1.00 0.00 C ATOM 913 O THR A 64 -0.226 -2.340 12.785 1.00 0.00 O ATOM 914 CB THR A 64 -0.783 0.875 12.778 1.00 0.00 C ATOM 915 OG1 THR A 64 -1.473 1.169 11.572 1.00 0.00 O ATOM 916 CG2 THR A 64 -0.239 2.160 13.391 1.00 0.00 C ATOM 0 H THR A 64 -0.419 -0.790 10.652 1.00 0.00 H new ATOM 0 HA THR A 64 1.323 0.442 12.766 1.00 0.00 H new ATOM 0 HB THR A 64 -1.476 0.396 13.469 1.00 0.00 H new ATOM 0 HG1 THR A 64 -2.379 1.479 11.781 1.00 0.00 H new ATOM 0 HG21 THR A 64 -1.065 2.837 13.610 1.00 0.00 H new ATOM 0 HG22 THR A 64 0.293 1.926 14.313 1.00 0.00 H new ATOM 0 HG23 THR A 64 0.444 2.637 12.689 1.00 0.00 H new ATOM 924 N TYR A 65 0.649 -1.314 14.537 1.00 0.00 N ATOM 925 CA TYR A 65 0.555 -2.516 15.414 1.00 0.00 C ATOM 926 C TYR A 65 -0.645 -3.387 15.018 1.00 0.00 C ATOM 927 O TYR A 65 -1.740 -3.176 15.500 1.00 0.00 O ATOM 928 CB TYR A 65 0.382 -2.062 16.865 1.00 0.00 C ATOM 929 CG TYR A 65 0.083 -3.258 17.736 1.00 0.00 C ATOM 930 CD1 TYR A 65 1.112 -4.138 18.098 1.00 0.00 C ATOM 931 CD2 TYR A 65 -1.225 -3.488 18.184 1.00 0.00 C ATOM 932 CE1 TYR A 65 0.834 -5.248 18.906 1.00 0.00 C ATOM 933 CE2 TYR A 65 -1.504 -4.598 18.994 1.00 0.00 C ATOM 934 CZ TYR A 65 -0.474 -5.478 19.354 1.00 0.00 C ATOM 935 OH TYR A 65 -0.749 -6.571 20.151 1.00 0.00 O ATOM 0 H TYR A 65 1.049 -0.492 14.989 1.00 0.00 H new ATOM 0 HA TYR A 65 1.467 -3.103 15.302 1.00 0.00 H new ATOM 0 HB2 TYR A 65 1.288 -1.564 17.212 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -0.428 -1.336 16.936 1.00 0.00 H new ATOM 0 HD1 TYR A 65 2.120 -3.960 17.754 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -2.018 -2.810 17.905 1.00 0.00 H new ATOM 0 HE1 TYR A 65 1.627 -5.926 19.184 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -2.512 -4.775 19.340 1.00 0.00 H new ATOM 0 HH TYR A 65 -1.703 -6.582 20.374 1.00 0.00 H new ATOM 945 N PRO A 66 -0.407 -4.344 14.152 1.00 0.00 N ATOM 946 CA PRO A 66 -1.463 -5.257 13.681 1.00 0.00 C ATOM 947 C PRO A 66 -1.748 -6.331 14.736 1.00 0.00 C ATOM 948 O PRO A 66 -2.158 -7.416 14.353 1.00 0.00 O ATOM 949 CB PRO A 66 -0.864 -5.879 12.417 1.00 0.00 C ATOM 950 CG PRO A 66 0.670 -5.734 12.544 1.00 0.00 C ATOM 951 CD PRO A 66 0.925 -4.606 13.561 1.00 0.00 C ATOM 952 OXT PRO A 66 -1.552 -6.051 15.907 1.00 0.00 O ATOM 0 HA PRO A 66 -2.412 -4.755 13.493 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -1.149 -6.927 12.328 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -1.229 -5.372 11.524 1.00 0.00 H new ATOM 0 HG2 PRO A 66 1.120 -6.668 12.881 1.00 0.00 H new ATOM 0 HG3 PRO A 66 1.117 -5.494 11.579 1.00 0.00 H new ATOM 0 HD2 PRO A 66 1.645 -4.910 14.321 1.00 0.00 H new ATOM 0 HD3 PRO A 66 1.328 -3.717 13.077 1.00 0.00 H new TER 960 PRO A 66