USER MOD reduce.3.24.130724 H: found=0, std=0, add=731, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 731 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 GLN : amide:sc= -1.31 K(o=-1.3,f=-0.78) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 15 HIS : no HD1:sc= -0.655 K(o=-0.66,f=-1.5) USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 22 GLN : amide:sc= -0.0989 X(o=-0.099,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 ASN : amide:sc= -0.0437 X(o=-0.044,f=0) USER MOD Single : A 32 MET CE :methyl -147:sc= -1.93 (180deg=-3.75!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 GLN : amide:sc= -0.114 X(o=-0.11,f=0) USER MOD Single : A 39 THR OG1 : rot 96:sc= 0.926 USER MOD Single : A 42 ASN : amide:sc= -0.0141 X(o=-0.014,f=-0.22) USER MOD Single : A 47 LYS NZ :NH3+ 156:sc= -3.28! (180deg=-4.5!) USER MOD Single : A 49 HIS : no HD1:sc= 0 X(o=0,f=-0.045) USER MOD Single : A 52 GLN : amide:sc= -1.75 K(o=-1.7,f=-4!) USER MOD Single : A 53 ASN : amide:sc= -0.288 K(o=-0.29,f=-3.3!) USER MOD Single : A 54 ASN : amide:sc=-0.000914 X(o=-0.00091,f=0) USER MOD Single : A 58 LYS NZ :NH3+ 149:sc= 1.17 (180deg=-0.592) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 113:sc= 0.0687 USER MOD Single : A 69 THR OG1 : rot 21:sc= -2.9! USER MOD Single : A 71 SER OG : rot 71:sc= -1.64 USER MOD Single : A 75 GLN : amide:sc= -0.604 X(o=-0.6,f=-0.57) USER MOD Single : A 79 SER OG : rot 180:sc= -0.376 USER MOD Single : A 80 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N LEU A 2 -8.140 6.672 -1.641 1.00 0.00 N ATOM 21 CA LEU A 2 -8.957 6.444 -2.862 1.00 0.00 C ATOM 22 C LEU A 2 -10.278 5.779 -2.526 1.00 0.00 C ATOM 23 O LEU A 2 -10.365 4.859 -1.737 1.00 0.00 O ATOM 24 CB LEU A 2 -8.109 5.573 -3.771 1.00 0.00 C ATOM 25 CG LEU A 2 -8.779 5.506 -5.136 1.00 0.00 C ATOM 26 CD1 LEU A 2 -7.720 5.357 -6.228 1.00 0.00 C ATOM 27 CD2 LEU A 2 -9.706 4.304 -5.158 1.00 0.00 C ATOM 0 HA LEU A 2 -9.217 7.384 -3.348 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -7.104 5.986 -3.862 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -8.006 4.573 -3.350 1.00 0.00 H new ATOM 0 HG LEU A 2 -9.344 6.420 -5.318 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -8.206 5.310 -7.202 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -7.046 6.213 -6.200 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -7.152 4.442 -6.061 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -10.196 4.240 -6.130 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -9.129 3.396 -4.982 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -10.460 4.412 -4.378 1.00 0.00 H new ATOM 39 N THR A 3 -11.311 6.292 -3.114 1.00 0.00 N ATOM 40 CA THR A 3 -12.678 5.789 -2.862 1.00 0.00 C ATOM 41 C THR A 3 -13.271 5.188 -4.147 1.00 0.00 C ATOM 42 O THR A 3 -12.730 5.342 -5.223 1.00 0.00 O ATOM 43 CB THR A 3 -13.400 7.055 -2.376 1.00 0.00 C ATOM 44 OG1 THR A 3 -13.958 6.811 -1.093 1.00 0.00 O ATOM 45 CG2 THR A 3 -14.515 7.507 -3.334 1.00 0.00 C ATOM 0 H THR A 3 -11.262 7.063 -3.780 1.00 0.00 H new ATOM 0 HA THR A 3 -12.751 4.977 -2.138 1.00 0.00 H new ATOM 0 HB THR A 3 -12.661 7.855 -2.335 1.00 0.00 H new ATOM 0 HG1 THR A 3 -14.418 7.617 -0.778 1.00 0.00 H new ATOM 0 HG21 THR A 3 -14.991 8.405 -2.941 1.00 0.00 H new ATOM 0 HG22 THR A 3 -14.088 7.722 -4.314 1.00 0.00 H new ATOM 0 HG23 THR A 3 -15.258 6.715 -3.428 1.00 0.00 H new ATOM 53 N GLY A 4 -14.376 4.503 -4.026 1.00 0.00 N ATOM 54 CA GLY A 4 -15.029 3.866 -5.218 1.00 0.00 C ATOM 55 C GLY A 4 -15.011 4.812 -6.427 1.00 0.00 C ATOM 56 O GLY A 4 -14.585 4.445 -7.505 1.00 0.00 O ATOM 0 H GLY A 4 -14.864 4.353 -3.143 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -14.512 2.940 -5.469 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -16.058 3.601 -4.975 1.00 0.00 H new ATOM 60 N LYS A 5 -15.466 6.021 -6.260 1.00 0.00 N ATOM 61 CA LYS A 5 -15.472 6.982 -7.403 1.00 0.00 C ATOM 62 C LYS A 5 -14.048 7.192 -7.930 1.00 0.00 C ATOM 63 O LYS A 5 -13.780 7.074 -9.119 1.00 0.00 O ATOM 64 CB LYS A 5 -16.020 8.282 -6.812 1.00 0.00 C ATOM 65 CG LYS A 5 -16.364 9.255 -7.941 1.00 0.00 C ATOM 66 CD LYS A 5 -17.877 9.482 -7.979 1.00 0.00 C ATOM 67 CE LYS A 5 -18.170 10.980 -8.086 1.00 0.00 C ATOM 68 NZ LYS A 5 -19.609 11.117 -7.724 1.00 0.00 N ATOM 0 H LYS A 5 -15.835 6.388 -5.383 1.00 0.00 H new ATOM 0 HA LYS A 5 -16.069 6.625 -8.242 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -16.907 8.075 -6.214 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -15.283 8.729 -6.145 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -15.848 10.203 -7.788 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -16.022 8.856 -8.896 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -18.313 8.955 -8.828 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -18.339 9.074 -7.080 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -17.536 11.555 -7.411 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -17.979 11.349 -9.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -19.886 12.118 -7.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -20.188 10.564 -8.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -19.759 10.765 -6.757 1.00 0.00 H new ATOM 82 N GLN A 6 -13.127 7.489 -7.055 1.00 0.00 N ATOM 83 CA GLN A 6 -11.729 7.696 -7.494 1.00 0.00 C ATOM 84 C GLN A 6 -11.243 6.426 -8.203 1.00 0.00 C ATOM 85 O GLN A 6 -10.609 6.477 -9.239 1.00 0.00 O ATOM 86 CB GLN A 6 -10.972 7.932 -6.194 1.00 0.00 C ATOM 87 CG GLN A 6 -11.489 9.207 -5.521 1.00 0.00 C ATOM 88 CD GLN A 6 -10.630 9.520 -4.294 1.00 0.00 C ATOM 89 OE1 GLN A 6 -11.147 9.725 -3.213 1.00 0.00 O ATOM 90 NE2 GLN A 6 -9.332 9.566 -4.415 1.00 0.00 N ATOM 0 H GLN A 6 -13.288 7.596 -6.054 1.00 0.00 H new ATOM 0 HA GLN A 6 -11.596 8.522 -8.193 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -11.100 7.079 -5.527 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -9.904 8.022 -6.395 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -11.457 10.040 -6.223 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -12.530 9.079 -5.226 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -8.898 9.394 -5.322 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -8.751 9.774 -3.603 1.00 0.00 H new ATOM 99 N LYS A 7 -11.566 5.285 -7.651 1.00 0.00 N ATOM 100 CA LYS A 7 -11.166 3.988 -8.275 1.00 0.00 C ATOM 101 C LYS A 7 -11.763 3.882 -9.678 1.00 0.00 C ATOM 102 O LYS A 7 -11.138 3.396 -10.584 1.00 0.00 O ATOM 103 CB LYS A 7 -11.785 2.923 -7.363 1.00 0.00 C ATOM 104 CG LYS A 7 -11.594 1.532 -7.974 1.00 0.00 C ATOM 105 CD LYS A 7 -12.495 0.531 -7.251 1.00 0.00 C ATOM 106 CE LYS A 7 -12.019 0.366 -5.805 1.00 0.00 C ATOM 107 NZ LYS A 7 -13.216 -0.112 -5.059 1.00 0.00 N ATOM 0 H LYS A 7 -12.096 5.196 -6.784 1.00 0.00 H new ATOM 0 HA LYS A 7 -10.085 3.882 -8.371 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -11.321 2.963 -6.377 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -12.847 3.125 -7.224 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -11.835 1.553 -9.037 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -10.551 1.226 -7.890 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -13.528 0.878 -7.267 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -12.473 -0.430 -7.764 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -11.200 -0.350 -5.738 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -11.652 1.309 -5.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -12.969 -0.249 -4.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -13.977 0.593 -5.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -13.539 -1.015 -5.462 1.00 0.00 H new ATOM 121 N ARG A 8 -12.975 4.322 -9.867 1.00 0.00 N ATOM 122 CA ARG A 8 -13.595 4.215 -11.222 1.00 0.00 C ATOM 123 C ARG A 8 -12.655 4.778 -12.294 1.00 0.00 C ATOM 124 O ARG A 8 -12.320 4.109 -13.257 1.00 0.00 O ATOM 125 CB ARG A 8 -14.871 5.050 -11.140 1.00 0.00 C ATOM 126 CG ARG A 8 -15.862 4.572 -12.202 1.00 0.00 C ATOM 127 CD ARG A 8 -16.295 5.755 -13.073 1.00 0.00 C ATOM 128 NE ARG A 8 -17.079 5.146 -14.184 1.00 0.00 N ATOM 129 CZ ARG A 8 -17.028 5.664 -15.381 1.00 0.00 C ATOM 130 NH1 ARG A 8 -15.922 5.607 -16.071 1.00 0.00 N ATOM 131 NH2 ARG A 8 -18.084 6.236 -15.890 1.00 0.00 N ATOM 0 H ARG A 8 -13.562 4.748 -9.150 1.00 0.00 H new ATOM 0 HA ARG A 8 -13.797 3.180 -11.497 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -15.314 4.961 -10.148 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -14.639 6.104 -11.292 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -15.403 3.801 -12.821 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -16.732 4.121 -11.725 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -16.899 6.463 -12.506 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -15.432 6.303 -13.452 1.00 0.00 H new ATOM 0 HE ARG A 8 -17.656 4.323 -14.009 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -15.096 5.157 -15.675 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -15.883 6.012 -17.006 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -18.950 6.279 -15.353 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -18.044 6.641 -16.825 1.00 0.00 H new ATOM 145 N TYR A 9 -12.227 5.998 -12.138 1.00 0.00 N ATOM 146 CA TYR A 9 -11.315 6.594 -13.164 1.00 0.00 C ATOM 147 C TYR A 9 -9.980 5.863 -13.219 1.00 0.00 C ATOM 148 O TYR A 9 -9.522 5.452 -14.267 1.00 0.00 O ATOM 149 CB TYR A 9 -11.058 8.023 -12.704 1.00 0.00 C ATOM 150 CG TYR A 9 -12.134 8.934 -13.248 1.00 0.00 C ATOM 151 CD1 TYR A 9 -13.477 8.710 -12.924 1.00 0.00 C ATOM 152 CD2 TYR A 9 -11.785 10.005 -14.081 1.00 0.00 C ATOM 153 CE1 TYR A 9 -14.471 9.556 -13.431 1.00 0.00 C ATOM 154 CE2 TYR A 9 -12.779 10.851 -14.587 1.00 0.00 C ATOM 155 CZ TYR A 9 -14.122 10.627 -14.262 1.00 0.00 C ATOM 156 OH TYR A 9 -15.101 11.461 -14.761 1.00 0.00 O ATOM 0 H TYR A 9 -12.463 6.607 -11.355 1.00 0.00 H new ATOM 0 HA TYR A 9 -11.768 6.532 -14.153 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -11.046 8.068 -11.615 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -10.078 8.355 -13.048 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -13.747 7.884 -12.283 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -10.749 10.178 -14.333 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -15.507 9.382 -13.181 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -12.510 11.677 -15.228 1.00 0.00 H new ATOM 0 HH TYR A 9 -14.688 12.153 -15.319 1.00 0.00 H new ATOM 166 N LEU A 10 -9.328 5.749 -12.103 1.00 0.00 N ATOM 167 CA LEU A 10 -7.991 5.105 -12.089 1.00 0.00 C ATOM 168 C LEU A 10 -8.065 3.595 -12.314 1.00 0.00 C ATOM 169 O LEU A 10 -7.248 3.035 -13.019 1.00 0.00 O ATOM 170 CB LEU A 10 -7.413 5.443 -10.717 1.00 0.00 C ATOM 171 CG LEU A 10 -6.087 6.154 -10.939 1.00 0.00 C ATOM 172 CD1 LEU A 10 -5.603 6.821 -9.659 1.00 0.00 C ATOM 173 CD2 LEU A 10 -5.062 5.123 -11.372 1.00 0.00 C ATOM 0 H LEU A 10 -9.663 6.075 -11.196 1.00 0.00 H new ATOM 0 HA LEU A 10 -7.365 5.470 -12.903 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -8.100 6.079 -10.158 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -7.268 4.537 -10.129 1.00 0.00 H new ATOM 0 HG LEU A 10 -6.219 6.923 -11.700 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -4.653 7.322 -9.846 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -6.340 7.553 -9.329 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -5.469 6.066 -8.884 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -4.102 5.612 -11.537 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -4.955 4.367 -10.594 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -5.391 4.649 -12.296 1.00 0.00 H new ATOM 185 N ARG A 11 -9.020 2.919 -11.740 1.00 0.00 N ATOM 186 CA ARG A 11 -9.102 1.444 -11.958 1.00 0.00 C ATOM 187 C ARG A 11 -9.092 1.152 -13.462 1.00 0.00 C ATOM 188 O ARG A 11 -8.544 0.164 -13.910 1.00 0.00 O ATOM 189 CB ARG A 11 -10.425 0.995 -11.337 1.00 0.00 C ATOM 190 CG ARG A 11 -10.643 -0.493 -11.613 1.00 0.00 C ATOM 191 CD ARG A 11 -11.769 -0.662 -12.632 1.00 0.00 C ATOM 192 NE ARG A 11 -12.958 -1.048 -11.825 1.00 0.00 N ATOM 193 CZ ARG A 11 -13.887 -1.799 -12.349 1.00 0.00 C ATOM 194 NH1 ARG A 11 -13.629 -3.043 -12.649 1.00 0.00 N ATOM 195 NH2 ARG A 11 -15.073 -1.304 -12.574 1.00 0.00 N ATOM 0 H ARG A 11 -9.740 3.315 -11.136 1.00 0.00 H new ATOM 0 HA ARG A 11 -8.260 0.917 -11.508 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -10.415 1.178 -10.263 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -11.249 1.576 -11.751 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -9.725 -0.942 -11.992 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -10.894 -1.012 -10.688 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -11.947 0.262 -13.181 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -11.525 -1.428 -13.368 1.00 0.00 H new ATOM 0 HE ARG A 11 -13.047 -0.725 -10.862 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -12.701 -3.428 -12.474 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -14.356 -3.630 -13.059 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -15.272 -0.331 -12.340 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -15.801 -1.890 -12.984 1.00 0.00 H new ATOM 209 N SER A 12 -9.691 2.013 -14.244 1.00 0.00 N ATOM 210 CA SER A 12 -9.708 1.789 -15.719 1.00 0.00 C ATOM 211 C SER A 12 -8.364 2.199 -16.338 1.00 0.00 C ATOM 212 O SER A 12 -7.960 1.681 -17.359 1.00 0.00 O ATOM 213 CB SER A 12 -10.832 2.681 -16.244 1.00 0.00 C ATOM 214 OG SER A 12 -11.048 2.402 -17.620 1.00 0.00 O ATOM 0 H SER A 12 -10.167 2.857 -13.926 1.00 0.00 H new ATOM 0 HA SER A 12 -9.866 0.741 -15.972 1.00 0.00 H new ATOM 0 HB2 SER A 12 -11.746 2.505 -15.677 1.00 0.00 H new ATOM 0 HB3 SER A 12 -10.571 3.731 -16.110 1.00 0.00 H new ATOM 0 HG SER A 12 -11.770 2.971 -17.960 1.00 0.00 H new ATOM 220 N LEU A 13 -7.672 3.130 -15.734 1.00 0.00 N ATOM 221 CA LEU A 13 -6.360 3.573 -16.297 1.00 0.00 C ATOM 222 C LEU A 13 -5.370 2.408 -16.348 1.00 0.00 C ATOM 223 O LEU A 13 -4.717 2.182 -17.346 1.00 0.00 O ATOM 224 CB LEU A 13 -5.854 4.647 -15.319 1.00 0.00 C ATOM 225 CG LEU A 13 -6.543 6.021 -15.518 1.00 0.00 C ATOM 226 CD1 LEU A 13 -5.515 7.024 -16.040 1.00 0.00 C ATOM 227 CD2 LEU A 13 -7.718 5.958 -16.511 1.00 0.00 C ATOM 0 H LEU A 13 -7.958 3.603 -14.876 1.00 0.00 H new ATOM 0 HA LEU A 13 -6.462 3.947 -17.316 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -6.022 4.307 -14.297 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -4.778 4.765 -15.443 1.00 0.00 H new ATOM 0 HG LEU A 13 -6.942 6.327 -14.551 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -5.992 7.993 -16.183 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -4.703 7.122 -15.319 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -5.115 6.673 -16.991 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -8.163 6.948 -16.612 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -7.356 5.623 -17.483 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -8.469 5.259 -16.143 1.00 0.00 H new ATOM 239 N ALA A 14 -5.253 1.679 -15.270 1.00 0.00 N ATOM 240 CA ALA A 14 -4.298 0.525 -15.213 1.00 0.00 C ATOM 241 C ALA A 14 -4.326 -0.303 -16.508 1.00 0.00 C ATOM 242 O ALA A 14 -3.322 -0.841 -16.932 1.00 0.00 O ATOM 243 CB ALA A 14 -4.813 -0.333 -14.067 1.00 0.00 C ATOM 0 H ALA A 14 -5.784 1.834 -14.413 1.00 0.00 H new ATOM 0 HA ALA A 14 -3.272 0.869 -15.082 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -4.172 -1.207 -13.950 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -4.806 0.249 -13.145 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -5.831 -0.656 -14.284 1.00 0.00 H new ATOM 249 N HIS A 15 -5.474 -0.433 -17.116 1.00 0.00 N ATOM 250 CA HIS A 15 -5.578 -1.253 -18.361 1.00 0.00 C ATOM 251 C HIS A 15 -4.556 -0.800 -19.407 1.00 0.00 C ATOM 252 O HIS A 15 -3.932 -1.608 -20.064 1.00 0.00 O ATOM 253 CB HIS A 15 -7.001 -1.019 -18.870 1.00 0.00 C ATOM 254 CG HIS A 15 -7.901 -2.113 -18.366 1.00 0.00 C ATOM 255 ND1 HIS A 15 -8.244 -3.207 -19.145 1.00 0.00 N ATOM 256 CD2 HIS A 15 -8.538 -2.295 -17.163 1.00 0.00 C ATOM 257 CE1 HIS A 15 -9.053 -3.992 -18.409 1.00 0.00 C ATOM 258 NE2 HIS A 15 -9.265 -3.481 -17.193 1.00 0.00 N ATOM 0 H HIS A 15 -6.347 -0.007 -16.805 1.00 0.00 H new ATOM 0 HA HIS A 15 -5.374 -2.306 -18.168 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -7.365 -0.049 -18.531 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -7.010 -0.999 -19.960 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -8.483 -1.620 -16.322 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -9.478 -4.921 -18.759 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -9.837 -3.876 -16.447 1.00 0.00 H new ATOM 266 N ASN A 16 -4.385 0.480 -19.576 1.00 0.00 N ATOM 267 CA ASN A 16 -3.407 0.965 -20.591 1.00 0.00 C ATOM 268 C ASN A 16 -1.991 1.006 -20.005 1.00 0.00 C ATOM 269 O ASN A 16 -1.023 1.165 -20.722 1.00 0.00 O ATOM 270 CB ASN A 16 -3.878 2.374 -20.947 1.00 0.00 C ATOM 271 CG ASN A 16 -3.448 2.711 -22.376 1.00 0.00 C ATOM 272 OD1 ASN A 16 -3.806 2.020 -23.309 1.00 0.00 O ATOM 273 ND2 ASN A 16 -2.691 3.751 -22.587 1.00 0.00 N ATOM 0 H ASN A 16 -4.876 1.209 -19.059 1.00 0.00 H new ATOM 0 HA ASN A 16 -3.364 0.311 -21.462 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -4.962 2.440 -20.857 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -3.456 3.097 -20.249 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -2.399 3.985 -23.536 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -2.391 4.331 -21.803 1.00 0.00 H new ATOM 280 N ILE A 17 -1.859 0.887 -18.711 1.00 0.00 N ATOM 281 CA ILE A 17 -0.513 0.943 -18.091 1.00 0.00 C ATOM 282 C ILE A 17 0.136 -0.441 -18.068 1.00 0.00 C ATOM 283 O ILE A 17 -0.494 -1.454 -18.298 1.00 0.00 O ATOM 284 CB ILE A 17 -0.736 1.435 -16.660 1.00 0.00 C ATOM 285 CG1 ILE A 17 -1.846 2.526 -16.644 1.00 0.00 C ATOM 286 CG2 ILE A 17 0.584 1.969 -16.126 1.00 0.00 C ATOM 287 CD1 ILE A 17 -1.575 3.633 -15.609 1.00 0.00 C ATOM 0 H ILE A 17 -2.631 0.753 -18.058 1.00 0.00 H new ATOM 0 HA ILE A 17 0.151 1.599 -18.653 1.00 0.00 H new ATOM 0 HB ILE A 17 -1.072 0.620 -16.019 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -1.925 2.972 -17.635 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -2.806 2.058 -16.427 1.00 0.00 H new ATOM 0 HG21 ILE A 17 0.446 2.325 -15.105 1.00 0.00 H new ATOM 0 HG22 ILE A 17 1.329 1.173 -16.135 1.00 0.00 H new ATOM 0 HG23 ILE A 17 0.925 2.792 -16.755 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -2.381 4.367 -15.641 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -1.523 3.195 -14.612 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -0.629 4.123 -15.839 1.00 0.00 H new ATOM 299 N ASP A 18 1.401 -0.463 -17.789 1.00 0.00 N ATOM 300 CA ASP A 18 2.164 -1.741 -17.732 1.00 0.00 C ATOM 301 C ASP A 18 2.552 -2.075 -16.284 1.00 0.00 C ATOM 302 O ASP A 18 2.731 -1.184 -15.477 1.00 0.00 O ATOM 303 CB ASP A 18 3.411 -1.499 -18.584 1.00 0.00 C ATOM 304 CG ASP A 18 3.073 -1.728 -20.058 1.00 0.00 C ATOM 305 OD1 ASP A 18 2.071 -1.195 -20.505 1.00 0.00 O ATOM 306 OD2 ASP A 18 3.821 -2.433 -20.715 1.00 0.00 O ATOM 0 H ASP A 18 1.956 0.370 -17.592 1.00 0.00 H new ATOM 0 HA ASP A 18 1.578 -2.584 -18.099 1.00 0.00 H new ATOM 0 HB2 ASP A 18 3.773 -0.482 -18.437 1.00 0.00 H new ATOM 0 HB3 ASP A 18 4.212 -2.171 -18.275 1.00 0.00 H new ATOM 311 N PRO A 19 2.685 -3.349 -15.997 1.00 0.00 N ATOM 312 CA PRO A 19 3.071 -3.783 -14.626 1.00 0.00 C ATOM 313 C PRO A 19 4.437 -3.180 -14.274 1.00 0.00 C ATOM 314 O PRO A 19 5.476 -3.721 -14.594 1.00 0.00 O ATOM 315 CB PRO A 19 3.113 -5.311 -14.739 1.00 0.00 C ATOM 316 CG PRO A 19 3.311 -5.569 -16.196 1.00 0.00 C ATOM 317 CD PRO A 19 2.529 -4.492 -16.901 1.00 0.00 C ATOM 0 HA PRO A 19 2.392 -3.461 -13.837 1.00 0.00 H new ATOM 0 HB2 PRO A 19 3.926 -5.731 -14.147 1.00 0.00 H new ATOM 0 HB3 PRO A 19 2.189 -5.762 -14.377 1.00 0.00 H new ATOM 0 HG2 PRO A 19 4.367 -5.527 -16.463 1.00 0.00 H new ATOM 0 HG3 PRO A 19 2.952 -6.560 -16.472 1.00 0.00 H new ATOM 0 HD2 PRO A 19 2.929 -4.283 -17.893 1.00 0.00 H new ATOM 0 HD3 PRO A 19 1.483 -4.768 -17.030 1.00 0.00 H new ATOM 325 N ILE A 20 4.424 -2.037 -13.640 1.00 0.00 N ATOM 326 CA ILE A 20 5.703 -1.338 -13.278 1.00 0.00 C ATOM 327 C ILE A 20 6.634 -2.260 -12.464 1.00 0.00 C ATOM 328 O ILE A 20 7.668 -2.671 -12.954 1.00 0.00 O ATOM 329 CB ILE A 20 5.278 -0.064 -12.513 1.00 0.00 C ATOM 330 CG1 ILE A 20 6.470 0.580 -11.804 1.00 0.00 C ATOM 331 CG2 ILE A 20 4.200 -0.384 -11.489 1.00 0.00 C ATOM 332 CD1 ILE A 20 7.622 0.751 -12.779 1.00 0.00 C ATOM 0 H ILE A 20 3.576 -1.549 -13.353 1.00 0.00 H new ATOM 0 HA ILE A 20 6.291 -1.070 -14.156 1.00 0.00 H new ATOM 0 HB ILE A 20 4.883 0.638 -13.247 1.00 0.00 H new ATOM 0 HG12 ILE A 20 6.181 1.548 -11.396 1.00 0.00 H new ATOM 0 HG13 ILE A 20 6.783 -0.040 -10.964 1.00 0.00 H new ATOM 0 HG21 ILE A 20 3.916 0.527 -10.963 1.00 0.00 H new ATOM 0 HG22 ILE A 20 3.328 -0.797 -11.996 1.00 0.00 H new ATOM 0 HG23 ILE A 20 4.582 -1.112 -10.774 1.00 0.00 H new ATOM 0 HD11 ILE A 20 8.467 1.210 -12.267 1.00 0.00 H new ATOM 0 HD12 ILE A 20 7.919 -0.224 -13.166 1.00 0.00 H new ATOM 0 HD13 ILE A 20 7.308 1.389 -13.605 1.00 0.00 H new ATOM 344 N PHE A 21 6.294 -2.612 -11.250 1.00 0.00 N ATOM 345 CA PHE A 21 7.188 -3.521 -10.471 1.00 0.00 C ATOM 346 C PHE A 21 6.503 -4.878 -10.259 1.00 0.00 C ATOM 347 O PHE A 21 5.302 -5.012 -10.407 1.00 0.00 O ATOM 348 CB PHE A 21 7.492 -2.844 -9.115 1.00 0.00 C ATOM 349 CG PHE A 21 6.519 -1.725 -8.773 1.00 0.00 C ATOM 350 CD1 PHE A 21 5.158 -1.982 -8.547 1.00 0.00 C ATOM 351 CD2 PHE A 21 7.000 -0.424 -8.671 1.00 0.00 C ATOM 352 CE1 PHE A 21 4.296 -0.919 -8.226 1.00 0.00 C ATOM 353 CE2 PHE A 21 6.134 0.623 -8.351 1.00 0.00 C ATOM 354 CZ PHE A 21 4.796 0.379 -8.132 1.00 0.00 C ATOM 0 H PHE A 21 5.446 -2.313 -10.769 1.00 0.00 H new ATOM 0 HA PHE A 21 8.117 -3.699 -11.012 1.00 0.00 H new ATOM 0 HB2 PHE A 21 7.463 -3.596 -8.326 1.00 0.00 H new ATOM 0 HB3 PHE A 21 8.505 -2.442 -9.136 1.00 0.00 H new ATOM 0 HD1 PHE A 21 4.776 -2.989 -8.619 1.00 0.00 H new ATOM 0 HD2 PHE A 21 8.048 -0.223 -8.840 1.00 0.00 H new ATOM 0 HE1 PHE A 21 3.247 -1.108 -8.052 1.00 0.00 H new ATOM 0 HE2 PHE A 21 6.515 1.631 -8.275 1.00 0.00 H new ATOM 0 HZ PHE A 21 4.133 1.195 -7.887 1.00 0.00 H new ATOM 364 N GLN A 22 7.264 -5.894 -9.939 1.00 0.00 N ATOM 365 CA GLN A 22 6.661 -7.248 -9.748 1.00 0.00 C ATOM 366 C GLN A 22 6.988 -7.818 -8.362 1.00 0.00 C ATOM 367 O GLN A 22 8.035 -7.565 -7.799 1.00 0.00 O ATOM 368 CB GLN A 22 7.294 -8.117 -10.838 1.00 0.00 C ATOM 369 CG GLN A 22 7.047 -7.487 -12.211 1.00 0.00 C ATOM 370 CD GLN A 22 8.342 -7.514 -13.023 1.00 0.00 C ATOM 371 OE1 GLN A 22 8.714 -6.527 -13.629 1.00 0.00 O ATOM 372 NE2 GLN A 22 9.051 -8.609 -13.064 1.00 0.00 N ATOM 0 H GLN A 22 8.274 -5.845 -9.802 1.00 0.00 H new ATOM 0 HA GLN A 22 5.574 -7.213 -9.815 1.00 0.00 H new ATOM 0 HB2 GLN A 22 8.365 -8.217 -10.661 1.00 0.00 H new ATOM 0 HB3 GLN A 22 6.871 -9.121 -10.807 1.00 0.00 H new ATOM 0 HG2 GLN A 22 6.263 -8.032 -12.738 1.00 0.00 H new ATOM 0 HG3 GLN A 22 6.699 -6.461 -12.095 1.00 0.00 H new ATOM 0 HE21 GLN A 22 8.740 -9.437 -12.556 1.00 0.00 H new ATOM 0 HE22 GLN A 22 9.916 -8.637 -13.604 1.00 0.00 H new ATOM 381 N ILE A 23 6.090 -8.599 -7.824 1.00 0.00 N ATOM 382 CA ILE A 23 6.309 -9.217 -6.482 1.00 0.00 C ATOM 383 C ILE A 23 6.922 -10.616 -6.659 1.00 0.00 C ATOM 384 O ILE A 23 6.620 -11.307 -7.605 1.00 0.00 O ATOM 385 CB ILE A 23 4.890 -9.263 -5.850 1.00 0.00 C ATOM 386 CG1 ILE A 23 4.811 -8.225 -4.728 1.00 0.00 C ATOM 387 CG2 ILE A 23 4.543 -10.653 -5.270 1.00 0.00 C ATOM 388 CD1 ILE A 23 5.900 -8.508 -3.694 1.00 0.00 C ATOM 0 H ILE A 23 5.201 -8.839 -8.263 1.00 0.00 H new ATOM 0 HA ILE A 23 7.002 -8.666 -5.846 1.00 0.00 H new ATOM 0 HB ILE A 23 4.172 -9.047 -6.641 1.00 0.00 H new ATOM 0 HG12 ILE A 23 4.935 -7.222 -5.137 1.00 0.00 H new ATOM 0 HG13 ILE A 23 3.829 -8.258 -4.256 1.00 0.00 H new ATOM 0 HG21 ILE A 23 3.541 -10.629 -4.841 1.00 0.00 H new ATOM 0 HG22 ILE A 23 4.580 -11.398 -6.065 1.00 0.00 H new ATOM 0 HG23 ILE A 23 5.263 -10.914 -4.494 1.00 0.00 H new ATOM 0 HD11 ILE A 23 5.844 -7.769 -2.895 1.00 0.00 H new ATOM 0 HD12 ILE A 23 5.756 -9.505 -3.277 1.00 0.00 H new ATOM 0 HD13 ILE A 23 6.878 -8.453 -4.171 1.00 0.00 H new ATOM 400 N GLY A 24 7.765 -11.039 -5.753 1.00 0.00 N ATOM 401 CA GLY A 24 8.362 -12.403 -5.877 1.00 0.00 C ATOM 402 C GLY A 24 7.250 -13.447 -5.714 1.00 0.00 C ATOM 403 O GLY A 24 6.096 -13.106 -5.560 1.00 0.00 O ATOM 0 H GLY A 24 8.064 -10.504 -4.938 1.00 0.00 H new ATOM 0 HA2 GLY A 24 8.846 -12.516 -6.847 1.00 0.00 H new ATOM 0 HA3 GLY A 24 9.131 -12.549 -5.118 1.00 0.00 H new ATOM 407 N LYS A 25 7.575 -14.712 -5.749 1.00 0.00 N ATOM 408 CA LYS A 25 6.508 -15.747 -5.602 1.00 0.00 C ATOM 409 C LYS A 25 6.388 -16.208 -4.147 1.00 0.00 C ATOM 410 O LYS A 25 5.319 -16.558 -3.689 1.00 0.00 O ATOM 411 CB LYS A 25 6.940 -16.905 -6.502 1.00 0.00 C ATOM 412 CG LYS A 25 5.879 -18.006 -6.458 1.00 0.00 C ATOM 413 CD LYS A 25 6.407 -19.195 -5.651 1.00 0.00 C ATOM 414 CE LYS A 25 5.371 -20.322 -5.663 1.00 0.00 C ATOM 415 NZ LYS A 25 6.056 -21.468 -6.325 1.00 0.00 N ATOM 0 H LYS A 25 8.522 -15.072 -5.872 1.00 0.00 H new ATOM 0 HA LYS A 25 5.529 -15.357 -5.883 1.00 0.00 H new ATOM 0 HB2 LYS A 25 7.074 -16.554 -7.525 1.00 0.00 H new ATOM 0 HB3 LYS A 25 7.901 -17.298 -6.171 1.00 0.00 H new ATOM 0 HG2 LYS A 25 4.963 -17.625 -6.006 1.00 0.00 H new ATOM 0 HG3 LYS A 25 5.627 -18.323 -7.470 1.00 0.00 H new ATOM 0 HD2 LYS A 25 7.347 -19.547 -6.075 1.00 0.00 H new ATOM 0 HD3 LYS A 25 6.615 -18.889 -4.626 1.00 0.00 H new ATOM 0 HE2 LYS A 25 5.057 -20.580 -4.652 1.00 0.00 H new ATOM 0 HE3 LYS A 25 4.475 -20.029 -6.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 5.408 -22.280 -6.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 6.337 -21.195 -7.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 6.901 -21.730 -5.779 1.00 0.00 H new ATOM 429 N GLY A 26 7.467 -16.209 -3.412 1.00 0.00 N ATOM 430 CA GLY A 26 7.388 -16.646 -1.988 1.00 0.00 C ATOM 431 C GLY A 26 6.312 -15.827 -1.270 1.00 0.00 C ATOM 432 O GLY A 26 5.698 -16.278 -0.323 1.00 0.00 O ATOM 0 H GLY A 26 8.394 -15.928 -3.733 1.00 0.00 H new ATOM 0 HA2 GLY A 26 7.150 -17.708 -1.934 1.00 0.00 H new ATOM 0 HA3 GLY A 26 8.353 -16.510 -1.499 1.00 0.00 H new ATOM 436 N GLY A 27 6.085 -14.623 -1.718 1.00 0.00 N ATOM 437 CA GLY A 27 5.058 -13.758 -1.079 1.00 0.00 C ATOM 438 C GLY A 27 5.484 -12.308 -1.267 1.00 0.00 C ATOM 439 O GLY A 27 6.266 -12.002 -2.146 1.00 0.00 O ATOM 0 H GLY A 27 6.573 -14.199 -2.507 1.00 0.00 H new ATOM 0 HA2 GLY A 27 4.081 -13.930 -1.530 1.00 0.00 H new ATOM 0 HA3 GLY A 27 4.966 -13.994 -0.019 1.00 0.00 H new ATOM 443 N ILE A 28 5.003 -11.409 -0.453 1.00 0.00 N ATOM 444 CA ILE A 28 5.430 -9.995 -0.620 1.00 0.00 C ATOM 445 C ILE A 28 6.739 -9.776 0.146 1.00 0.00 C ATOM 446 O ILE A 28 6.786 -9.887 1.354 1.00 0.00 O ATOM 447 CB ILE A 28 4.302 -9.149 -0.021 1.00 0.00 C ATOM 448 CG1 ILE A 28 3.062 -9.286 -0.909 1.00 0.00 C ATOM 449 CG2 ILE A 28 4.740 -7.680 0.040 1.00 0.00 C ATOM 450 CD1 ILE A 28 1.957 -8.337 -0.440 1.00 0.00 C ATOM 0 H ILE A 28 4.346 -11.588 0.306 1.00 0.00 H new ATOM 0 HA ILE A 28 5.606 -9.729 -1.662 1.00 0.00 H new ATOM 0 HB ILE A 28 4.072 -9.491 0.988 1.00 0.00 H new ATOM 0 HG12 ILE A 28 3.323 -9.066 -1.944 1.00 0.00 H new ATOM 0 HG13 ILE A 28 2.701 -10.314 -0.883 1.00 0.00 H new ATOM 0 HG21 ILE A 28 3.937 -7.078 0.466 1.00 0.00 H new ATOM 0 HG22 ILE A 28 5.630 -7.591 0.663 1.00 0.00 H new ATOM 0 HG23 ILE A 28 4.964 -7.325 -0.966 1.00 0.00 H new ATOM 0 HD11 ILE A 28 1.084 -8.449 -1.083 1.00 0.00 H new ATOM 0 HD12 ILE A 28 1.684 -8.577 0.588 1.00 0.00 H new ATOM 0 HD13 ILE A 28 2.315 -7.309 -0.490 1.00 0.00 H new ATOM 462 N ASN A 29 7.800 -9.470 -0.545 1.00 0.00 N ATOM 463 CA ASN A 29 9.104 -9.248 0.150 1.00 0.00 C ATOM 464 C ASN A 29 9.467 -7.761 0.142 1.00 0.00 C ATOM 465 O ASN A 29 9.269 -7.072 -0.839 1.00 0.00 O ATOM 466 CB ASN A 29 10.123 -10.047 -0.664 1.00 0.00 C ATOM 467 CG ASN A 29 10.752 -11.123 0.222 1.00 0.00 C ATOM 468 OD1 ASN A 29 11.557 -10.824 1.082 1.00 0.00 O ATOM 469 ND2 ASN A 29 10.420 -12.372 0.045 1.00 0.00 N ATOM 0 H ASN A 29 7.824 -9.363 -1.559 1.00 0.00 H new ATOM 0 HA ASN A 29 9.072 -9.561 1.194 1.00 0.00 H new ATOM 0 HB2 ASN A 29 9.637 -10.507 -1.524 1.00 0.00 H new ATOM 0 HB3 ASN A 29 10.895 -9.383 -1.052 1.00 0.00 H new ATOM 0 HD21 ASN A 29 10.836 -13.098 0.628 1.00 0.00 H new ATOM 0 HD22 ASN A 29 9.744 -12.623 -0.677 1.00 0.00 H new ATOM 476 N GLU A 30 10.007 -7.257 1.223 1.00 0.00 N ATOM 477 CA GLU A 30 10.387 -5.813 1.249 1.00 0.00 C ATOM 478 C GLU A 30 11.325 -5.517 0.083 1.00 0.00 C ATOM 479 O GLU A 30 11.346 -4.423 -0.441 1.00 0.00 O ATOM 480 CB GLU A 30 11.106 -5.593 2.579 1.00 0.00 C ATOM 481 CG GLU A 30 11.608 -4.146 2.644 1.00 0.00 C ATOM 482 CD GLU A 30 11.697 -3.696 4.104 1.00 0.00 C ATOM 483 OE1 GLU A 30 11.103 -4.351 4.944 1.00 0.00 O ATOM 484 OE2 GLU A 30 12.359 -2.703 4.356 1.00 0.00 O ATOM 0 H GLU A 30 10.199 -7.777 2.079 1.00 0.00 H new ATOM 0 HA GLU A 30 9.521 -5.158 1.157 1.00 0.00 H new ATOM 0 HB2 GLU A 30 10.430 -5.794 3.410 1.00 0.00 H new ATOM 0 HB3 GLU A 30 11.942 -6.286 2.674 1.00 0.00 H new ATOM 0 HG2 GLU A 30 12.586 -4.069 2.169 1.00 0.00 H new ATOM 0 HG3 GLU A 30 10.933 -3.492 2.092 1.00 0.00 H new ATOM 491 N ASN A 31 12.092 -6.493 -0.344 1.00 0.00 N ATOM 492 CA ASN A 31 13.013 -6.265 -1.499 1.00 0.00 C ATOM 493 C ASN A 31 12.216 -5.636 -2.639 1.00 0.00 C ATOM 494 O ASN A 31 12.681 -4.759 -3.341 1.00 0.00 O ATOM 495 CB ASN A 31 13.517 -7.655 -1.893 1.00 0.00 C ATOM 496 CG ASN A 31 15.041 -7.700 -1.769 1.00 0.00 C ATOM 497 OD1 ASN A 31 15.730 -8.007 -2.722 1.00 0.00 O ATOM 498 ND2 ASN A 31 15.599 -7.404 -0.627 1.00 0.00 N ATOM 0 H ASN A 31 12.119 -7.431 0.056 1.00 0.00 H new ATOM 0 HA ASN A 31 13.843 -5.599 -1.261 1.00 0.00 H new ATOM 0 HB2 ASN A 31 13.067 -8.412 -1.251 1.00 0.00 H new ATOM 0 HB3 ASN A 31 13.218 -7.885 -2.915 1.00 0.00 H new ATOM 0 HD21 ASN A 31 16.614 -7.430 -0.534 1.00 0.00 H new ATOM 0 HD22 ASN A 31 15.020 -7.146 0.172 1.00 0.00 H new ATOM 505 N MET A 32 10.992 -6.060 -2.790 1.00 0.00 N ATOM 506 CA MET A 32 10.130 -5.473 -3.842 1.00 0.00 C ATOM 507 C MET A 32 9.602 -4.134 -3.345 1.00 0.00 C ATOM 508 O MET A 32 9.701 -3.136 -4.022 1.00 0.00 O ATOM 509 CB MET A 32 8.986 -6.462 -4.038 1.00 0.00 C ATOM 510 CG MET A 32 9.554 -7.793 -4.515 1.00 0.00 C ATOM 511 SD MET A 32 10.347 -7.573 -6.126 1.00 0.00 S ATOM 512 CE MET A 32 10.142 -9.274 -6.708 1.00 0.00 C ATOM 0 H MET A 32 10.555 -6.789 -2.227 1.00 0.00 H new ATOM 0 HA MET A 32 10.661 -5.302 -4.778 1.00 0.00 H new ATOM 0 HB2 MET A 32 8.443 -6.598 -3.103 1.00 0.00 H new ATOM 0 HB3 MET A 32 8.274 -6.074 -4.767 1.00 0.00 H new ATOM 0 HG2 MET A 32 10.276 -8.172 -3.792 1.00 0.00 H new ATOM 0 HG3 MET A 32 8.758 -8.534 -4.589 1.00 0.00 H new ATOM 0 HE1 MET A 32 10.988 -9.547 -7.339 1.00 0.00 H new ATOM 0 HE2 MET A 32 10.095 -9.948 -5.853 1.00 0.00 H new ATOM 0 HE3 MET A 32 9.219 -9.353 -7.283 1.00 0.00 H new ATOM 522 N ILE A 33 9.057 -4.091 -2.151 1.00 0.00 N ATOM 523 CA ILE A 33 8.553 -2.787 -1.641 1.00 0.00 C ATOM 524 C ILE A 33 9.675 -1.760 -1.694 1.00 0.00 C ATOM 525 O ILE A 33 9.445 -0.598 -1.913 1.00 0.00 O ATOM 526 CB ILE A 33 8.098 -3.001 -0.209 1.00 0.00 C ATOM 527 CG1 ILE A 33 6.988 -4.057 -0.186 1.00 0.00 C ATOM 528 CG2 ILE A 33 7.553 -1.665 0.312 1.00 0.00 C ATOM 529 CD1 ILE A 33 6.479 -4.232 1.242 1.00 0.00 C ATOM 0 H ILE A 33 8.943 -4.887 -1.523 1.00 0.00 H new ATOM 0 HA ILE A 33 7.723 -2.421 -2.246 1.00 0.00 H new ATOM 0 HB ILE A 33 8.924 -3.343 0.415 1.00 0.00 H new ATOM 0 HG12 ILE A 33 6.170 -3.754 -0.840 1.00 0.00 H new ATOM 0 HG13 ILE A 33 7.366 -5.006 -0.567 1.00 0.00 H new ATOM 0 HG21 ILE A 33 7.217 -1.786 1.342 1.00 0.00 H new ATOM 0 HG22 ILE A 33 8.339 -0.911 0.273 1.00 0.00 H new ATOM 0 HG23 ILE A 33 6.715 -1.347 -0.308 1.00 0.00 H new ATOM 0 HD11 ILE A 33 5.689 -4.983 1.257 1.00 0.00 H new ATOM 0 HD12 ILE A 33 7.299 -4.554 1.884 1.00 0.00 H new ATOM 0 HD13 ILE A 33 6.084 -3.284 1.606 1.00 0.00 H new ATOM 541 N LYS A 34 10.898 -2.183 -1.522 1.00 0.00 N ATOM 542 CA LYS A 34 12.022 -1.212 -1.602 1.00 0.00 C ATOM 543 C LYS A 34 11.990 -0.566 -2.991 1.00 0.00 C ATOM 544 O LYS A 34 11.885 0.640 -3.136 1.00 0.00 O ATOM 545 CB LYS A 34 13.289 -2.047 -1.411 1.00 0.00 C ATOM 546 CG LYS A 34 13.299 -2.638 0.001 1.00 0.00 C ATOM 547 CD LYS A 34 14.188 -1.784 0.906 1.00 0.00 C ATOM 548 CE LYS A 34 15.253 -2.667 1.559 1.00 0.00 C ATOM 549 NZ LYS A 34 16.412 -1.760 1.792 1.00 0.00 N ATOM 0 H LYS A 34 11.164 -3.149 -1.332 1.00 0.00 H new ATOM 0 HA LYS A 34 11.969 -0.417 -0.858 1.00 0.00 H new ATOM 0 HB2 LYS A 34 13.327 -2.846 -2.152 1.00 0.00 H new ATOM 0 HB3 LYS A 34 14.173 -1.428 -1.564 1.00 0.00 H new ATOM 0 HG2 LYS A 34 12.285 -2.674 0.399 1.00 0.00 H new ATOM 0 HG3 LYS A 34 13.667 -3.664 -0.025 1.00 0.00 H new ATOM 0 HD2 LYS A 34 14.663 -0.993 0.325 1.00 0.00 H new ATOM 0 HD3 LYS A 34 13.584 -1.298 1.672 1.00 0.00 H new ATOM 0 HE2 LYS A 34 14.892 -3.095 2.494 1.00 0.00 H new ATOM 0 HE3 LYS A 34 15.527 -3.500 0.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 17.186 -2.293 2.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 16.738 -1.373 0.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 16.123 -0.981 2.417 1.00 0.00 H new ATOM 563 N GLN A 35 12.034 -1.377 -4.016 1.00 0.00 N ATOM 564 CA GLN A 35 11.962 -0.832 -5.398 1.00 0.00 C ATOM 565 C GLN A 35 10.563 -0.257 -5.631 1.00 0.00 C ATOM 566 O GLN A 35 10.405 0.874 -6.047 1.00 0.00 O ATOM 567 CB GLN A 35 12.211 -2.033 -6.312 1.00 0.00 C ATOM 568 CG GLN A 35 13.126 -1.619 -7.467 1.00 0.00 C ATOM 569 CD GLN A 35 13.853 -2.852 -8.008 1.00 0.00 C ATOM 570 OE1 GLN A 35 15.021 -2.790 -8.334 1.00 0.00 O ATOM 571 NE2 GLN A 35 13.203 -3.978 -8.121 1.00 0.00 N ATOM 0 H GLN A 35 12.117 -2.392 -3.953 1.00 0.00 H new ATOM 0 HA GLN A 35 12.683 -0.036 -5.582 1.00 0.00 H new ATOM 0 HB2 GLN A 35 12.668 -2.845 -5.746 1.00 0.00 H new ATOM 0 HB3 GLN A 35 11.265 -2.409 -6.701 1.00 0.00 H new ATOM 0 HG2 GLN A 35 12.541 -1.152 -8.259 1.00 0.00 H new ATOM 0 HG3 GLN A 35 13.849 -0.878 -7.125 1.00 0.00 H new ATOM 0 HE21 GLN A 35 12.222 -4.030 -7.847 1.00 0.00 H new ATOM 0 HE22 GLN A 35 13.676 -4.806 -8.483 1.00 0.00 H new ATOM 580 N ILE A 36 9.543 -1.026 -5.344 1.00 0.00 N ATOM 581 CA ILE A 36 8.150 -0.522 -5.525 1.00 0.00 C ATOM 582 C ILE A 36 7.962 0.796 -4.765 1.00 0.00 C ATOM 583 O ILE A 36 7.194 1.640 -5.161 1.00 0.00 O ATOM 584 CB ILE A 36 7.251 -1.588 -4.910 1.00 0.00 C ATOM 585 CG1 ILE A 36 7.386 -2.891 -5.691 1.00 0.00 C ATOM 586 CG2 ILE A 36 5.793 -1.126 -4.959 1.00 0.00 C ATOM 587 CD1 ILE A 36 6.623 -3.988 -4.961 1.00 0.00 C ATOM 0 H ILE A 36 9.616 -1.981 -4.992 1.00 0.00 H new ATOM 0 HA ILE A 36 7.923 -0.339 -6.575 1.00 0.00 H new ATOM 0 HB ILE A 36 7.551 -1.749 -3.874 1.00 0.00 H new ATOM 0 HG12 ILE A 36 6.994 -2.767 -6.700 1.00 0.00 H new ATOM 0 HG13 ILE A 36 8.437 -3.164 -5.789 1.00 0.00 H new ATOM 0 HG21 ILE A 36 5.154 -1.891 -4.518 1.00 0.00 H new ATOM 0 HG22 ILE A 36 5.687 -0.197 -4.398 1.00 0.00 H new ATOM 0 HG23 ILE A 36 5.499 -0.960 -5.995 1.00 0.00 H new ATOM 0 HD11 ILE A 36 6.714 -4.924 -5.513 1.00 0.00 H new ATOM 0 HD12 ILE A 36 7.037 -4.115 -3.961 1.00 0.00 H new ATOM 0 HD13 ILE A 36 5.571 -3.712 -4.886 1.00 0.00 H new ATOM 599 N ASP A 37 8.644 0.962 -3.660 1.00 0.00 N ATOM 600 CA ASP A 37 8.482 2.208 -2.852 1.00 0.00 C ATOM 601 C ASP A 37 8.850 3.440 -3.687 1.00 0.00 C ATOM 602 O ASP A 37 8.051 4.334 -3.881 1.00 0.00 O ATOM 603 CB ASP A 37 9.442 2.059 -1.663 1.00 0.00 C ATOM 604 CG ASP A 37 9.527 3.379 -0.889 1.00 0.00 C ATOM 605 OD1 ASP A 37 8.681 3.598 -0.038 1.00 0.00 O ATOM 606 OD2 ASP A 37 10.436 4.146 -1.161 1.00 0.00 O ATOM 0 H ASP A 37 9.308 0.286 -3.282 1.00 0.00 H new ATOM 0 HA ASP A 37 7.452 2.343 -2.523 1.00 0.00 H new ATOM 0 HB2 ASP A 37 9.096 1.263 -1.004 1.00 0.00 H new ATOM 0 HB3 ASP A 37 10.432 1.772 -2.018 1.00 0.00 H new ATOM 611 N ASP A 38 10.059 3.492 -4.185 1.00 0.00 N ATOM 612 CA ASP A 38 10.474 4.669 -5.008 1.00 0.00 C ATOM 613 C ASP A 38 9.662 4.708 -6.303 1.00 0.00 C ATOM 614 O ASP A 38 9.185 5.745 -6.727 1.00 0.00 O ATOM 615 CB ASP A 38 11.955 4.442 -5.308 1.00 0.00 C ATOM 616 CG ASP A 38 12.703 5.775 -5.231 1.00 0.00 C ATOM 617 OD1 ASP A 38 12.759 6.459 -6.240 1.00 0.00 O ATOM 618 OD2 ASP A 38 13.204 6.087 -4.165 1.00 0.00 O ATOM 0 H ASP A 38 10.773 2.775 -4.059 1.00 0.00 H new ATOM 0 HA ASP A 38 10.307 5.616 -4.495 1.00 0.00 H new ATOM 0 HB2 ASP A 38 12.377 3.735 -4.594 1.00 0.00 H new ATOM 0 HB3 ASP A 38 12.073 4.004 -6.299 1.00 0.00 H new ATOM 623 N THR A 39 9.491 3.577 -6.920 1.00 0.00 N ATOM 624 CA THR A 39 8.700 3.512 -8.181 1.00 0.00 C ATOM 625 C THR A 39 7.242 3.904 -7.911 1.00 0.00 C ATOM 626 O THR A 39 6.632 4.625 -8.678 1.00 0.00 O ATOM 627 CB THR A 39 8.829 2.069 -8.616 1.00 0.00 C ATOM 628 OG1 THR A 39 10.206 1.727 -8.701 1.00 0.00 O ATOM 629 CG2 THR A 39 8.182 1.918 -9.982 1.00 0.00 C ATOM 0 H THR A 39 9.868 2.684 -6.603 1.00 0.00 H new ATOM 0 HA THR A 39 9.051 4.199 -8.952 1.00 0.00 H new ATOM 0 HB THR A 39 8.339 1.412 -7.897 1.00 0.00 H new ATOM 0 HG1 THR A 39 10.489 1.298 -7.867 1.00 0.00 H new ATOM 0 HG21 THR A 39 8.266 0.882 -10.312 1.00 0.00 H new ATOM 0 HG22 THR A 39 7.130 2.195 -9.919 1.00 0.00 H new ATOM 0 HG23 THR A 39 8.686 2.568 -10.697 1.00 0.00 H new ATOM 637 N LEU A 40 6.687 3.458 -6.816 1.00 0.00 N ATOM 638 CA LEU A 40 5.277 3.831 -6.490 1.00 0.00 C ATOM 639 C LEU A 40 5.236 5.220 -5.841 1.00 0.00 C ATOM 640 O LEU A 40 4.179 5.744 -5.557 1.00 0.00 O ATOM 641 CB LEU A 40 4.789 2.777 -5.494 1.00 0.00 C ATOM 642 CG LEU A 40 3.400 3.161 -4.981 1.00 0.00 C ATOM 643 CD1 LEU A 40 2.541 1.907 -4.837 1.00 0.00 C ATOM 644 CD2 LEU A 40 3.541 3.840 -3.616 1.00 0.00 C ATOM 0 H LEU A 40 7.146 2.854 -6.134 1.00 0.00 H new ATOM 0 HA LEU A 40 4.653 3.865 -7.383 1.00 0.00 H new ATOM 0 HB2 LEU A 40 4.753 1.798 -5.973 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.487 2.699 -4.660 1.00 0.00 H new ATOM 0 HG LEU A 40 2.925 3.843 -5.687 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.552 2.183 -4.471 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.446 1.418 -5.806 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.011 1.223 -4.130 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.555 4.117 -3.244 1.00 0.00 H new ATOM 0 HD22 LEU A 40 4.014 3.152 -2.915 1.00 0.00 H new ATOM 0 HD23 LEU A 40 4.155 4.735 -3.716 1.00 0.00 H new ATOM 656 N GLU A 41 6.368 5.817 -5.589 1.00 0.00 N ATOM 657 CA GLU A 41 6.369 7.161 -4.951 1.00 0.00 C ATOM 658 C GLU A 41 6.737 8.243 -5.977 1.00 0.00 C ATOM 659 O GLU A 41 6.747 9.418 -5.671 1.00 0.00 O ATOM 660 CB GLU A 41 7.428 7.065 -3.851 1.00 0.00 C ATOM 661 CG GLU A 41 7.531 8.407 -3.124 1.00 0.00 C ATOM 662 CD GLU A 41 8.352 8.230 -1.845 1.00 0.00 C ATOM 663 OE1 GLU A 41 9.558 8.081 -1.956 1.00 0.00 O ATOM 664 OE2 GLU A 41 7.762 8.246 -0.778 1.00 0.00 O ATOM 0 H GLU A 41 7.290 5.433 -5.797 1.00 0.00 H new ATOM 0 HA GLU A 41 5.392 7.436 -4.554 1.00 0.00 H new ATOM 0 HB2 GLU A 41 7.165 6.277 -3.146 1.00 0.00 H new ATOM 0 HB3 GLU A 41 8.393 6.798 -4.282 1.00 0.00 H new ATOM 0 HG2 GLU A 41 8.000 9.148 -3.771 1.00 0.00 H new ATOM 0 HG3 GLU A 41 6.536 8.779 -2.882 1.00 0.00 H new ATOM 671 N ASN A 42 7.039 7.859 -7.193 1.00 0.00 N ATOM 672 CA ASN A 42 7.402 8.875 -8.225 1.00 0.00 C ATOM 673 C ASN A 42 6.310 8.976 -9.299 1.00 0.00 C ATOM 674 O ASN A 42 5.974 10.053 -9.752 1.00 0.00 O ATOM 675 CB ASN A 42 8.706 8.361 -8.840 1.00 0.00 C ATOM 676 CG ASN A 42 9.826 9.371 -8.583 1.00 0.00 C ATOM 677 OD1 ASN A 42 9.972 9.867 -7.483 1.00 0.00 O ATOM 678 ND2 ASN A 42 10.631 9.699 -9.558 1.00 0.00 N ATOM 0 H ASN A 42 7.050 6.891 -7.513 1.00 0.00 H new ATOM 0 HA ASN A 42 7.510 9.871 -7.795 1.00 0.00 H new ATOM 0 HB2 ASN A 42 8.968 7.395 -8.409 1.00 0.00 H new ATOM 0 HB3 ASN A 42 8.579 8.208 -9.912 1.00 0.00 H new ATOM 0 HD21 ASN A 42 11.381 10.371 -9.396 1.00 0.00 H new ATOM 0 HD22 ASN A 42 10.509 9.283 -10.481 1.00 0.00 H new ATOM 685 N ARG A 43 5.759 7.868 -9.718 1.00 0.00 N ATOM 686 CA ARG A 43 4.699 7.910 -10.773 1.00 0.00 C ATOM 687 C ARG A 43 3.314 8.183 -10.153 1.00 0.00 C ATOM 688 O ARG A 43 3.175 8.997 -9.262 1.00 0.00 O ATOM 689 CB ARG A 43 4.754 6.525 -11.422 1.00 0.00 C ATOM 690 CG ARG A 43 4.363 6.638 -12.898 1.00 0.00 C ATOM 691 CD ARG A 43 5.591 7.024 -13.727 1.00 0.00 C ATOM 692 NE ARG A 43 5.647 6.019 -14.824 1.00 0.00 N ATOM 693 CZ ARG A 43 6.786 5.746 -15.402 1.00 0.00 C ATOM 694 NH1 ARG A 43 7.722 6.655 -15.463 1.00 0.00 N ATOM 695 NH2 ARG A 43 6.991 4.564 -15.916 1.00 0.00 N ATOM 0 H ARG A 43 5.995 6.936 -9.377 1.00 0.00 H new ATOM 0 HA ARG A 43 4.862 8.710 -11.496 1.00 0.00 H new ATOM 0 HB2 ARG A 43 5.757 6.109 -11.331 1.00 0.00 H new ATOM 0 HB3 ARG A 43 4.078 5.843 -10.907 1.00 0.00 H new ATOM 0 HG2 ARG A 43 3.957 5.690 -13.251 1.00 0.00 H new ATOM 0 HG3 ARG A 43 3.579 7.386 -13.021 1.00 0.00 H new ATOM 0 HD2 ARG A 43 5.498 8.035 -14.123 1.00 0.00 H new ATOM 0 HD3 ARG A 43 6.498 7.000 -13.123 1.00 0.00 H new ATOM 0 HE ARG A 43 4.796 5.544 -15.124 1.00 0.00 H new ATOM 0 HH11 ARG A 43 7.563 7.578 -15.059 1.00 0.00 H new ATOM 0 HH12 ARG A 43 8.611 6.442 -15.914 1.00 0.00 H new ATOM 0 HH21 ARG A 43 6.261 3.853 -15.866 1.00 0.00 H new ATOM 0 HH22 ARG A 43 7.881 4.351 -16.367 1.00 0.00 H new ATOM 709 N GLU A 44 2.287 7.512 -10.623 1.00 0.00 N ATOM 710 CA GLU A 44 0.911 7.731 -10.065 1.00 0.00 C ATOM 711 C GLU A 44 0.149 6.401 -10.032 1.00 0.00 C ATOM 712 O GLU A 44 -0.242 5.918 -8.983 1.00 0.00 O ATOM 713 CB GLU A 44 0.196 8.740 -10.990 1.00 0.00 C ATOM 714 CG GLU A 44 0.629 8.586 -12.464 1.00 0.00 C ATOM 715 CD GLU A 44 -0.602 8.420 -13.362 1.00 0.00 C ATOM 716 OE1 GLU A 44 -1.703 8.643 -12.886 1.00 0.00 O ATOM 717 OE2 GLU A 44 -0.420 8.070 -14.517 1.00 0.00 O ATOM 0 H GLU A 44 2.342 6.820 -11.371 1.00 0.00 H new ATOM 0 HA GLU A 44 0.957 8.117 -9.047 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -0.882 8.600 -10.913 1.00 0.00 H new ATOM 0 HB3 GLU A 44 0.411 9.754 -10.654 1.00 0.00 H new ATOM 0 HG2 GLU A 44 1.201 9.460 -12.776 1.00 0.00 H new ATOM 0 HG3 GLU A 44 1.285 7.722 -12.570 1.00 0.00 H new ATOM 724 N LEU A 45 -0.041 5.795 -11.172 1.00 0.00 N ATOM 725 CA LEU A 45 -0.745 4.483 -11.219 1.00 0.00 C ATOM 726 C LEU A 45 0.285 3.405 -11.528 1.00 0.00 C ATOM 727 O LEU A 45 1.015 3.496 -12.496 1.00 0.00 O ATOM 728 CB LEU A 45 -1.757 4.602 -12.358 1.00 0.00 C ATOM 729 CG LEU A 45 -2.539 3.289 -12.500 1.00 0.00 C ATOM 730 CD1 LEU A 45 -3.191 2.923 -11.168 1.00 0.00 C ATOM 731 CD2 LEU A 45 -3.632 3.470 -13.549 1.00 0.00 C ATOM 0 H LEU A 45 0.263 6.154 -12.077 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.242 4.227 -10.283 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.444 5.425 -12.162 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.242 4.832 -13.291 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.854 2.495 -12.799 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -3.744 1.990 -11.278 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.420 2.801 -10.407 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -3.875 3.717 -10.867 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -4.192 2.541 -13.655 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.307 4.267 -13.237 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -3.179 3.732 -14.505 1.00 0.00 H new ATOM 743 N ILE A 46 0.371 2.395 -10.714 1.00 0.00 N ATOM 744 CA ILE A 46 1.382 1.336 -10.977 1.00 0.00 C ATOM 745 C ILE A 46 0.746 -0.051 -10.952 1.00 0.00 C ATOM 746 O ILE A 46 0.185 -0.478 -9.964 1.00 0.00 O ATOM 747 CB ILE A 46 2.490 1.431 -9.890 1.00 0.00 C ATOM 748 CG1 ILE A 46 1.990 2.037 -8.558 1.00 0.00 C ATOM 749 CG2 ILE A 46 3.669 2.259 -10.424 1.00 0.00 C ATOM 750 CD1 ILE A 46 1.645 0.898 -7.598 1.00 0.00 C ATOM 0 H ILE A 46 -0.208 2.256 -9.886 1.00 0.00 H new ATOM 0 HA ILE A 46 1.809 1.487 -11.969 1.00 0.00 H new ATOM 0 HB ILE A 46 2.805 0.410 -9.673 1.00 0.00 H new ATOM 0 HG12 ILE A 46 2.757 2.678 -8.123 1.00 0.00 H new ATOM 0 HG13 ILE A 46 1.114 2.662 -8.733 1.00 0.00 H new ATOM 0 HG21 ILE A 46 4.444 2.324 -9.660 1.00 0.00 H new ATOM 0 HG22 ILE A 46 4.076 1.780 -11.314 1.00 0.00 H new ATOM 0 HG23 ILE A 46 3.324 3.262 -10.677 1.00 0.00 H new ATOM 0 HD11 ILE A 46 1.291 1.312 -6.654 1.00 0.00 H new ATOM 0 HD12 ILE A 46 0.865 0.276 -8.037 1.00 0.00 H new ATOM 0 HD13 ILE A 46 2.533 0.292 -7.418 1.00 0.00 H new ATOM 762 N LYS A 47 0.868 -0.771 -12.033 1.00 0.00 N ATOM 763 CA LYS A 47 0.314 -2.149 -12.083 1.00 0.00 C ATOM 764 C LYS A 47 1.401 -3.100 -11.587 1.00 0.00 C ATOM 765 O LYS A 47 2.556 -2.936 -11.921 1.00 0.00 O ATOM 766 CB LYS A 47 0.013 -2.410 -13.559 1.00 0.00 C ATOM 767 CG LYS A 47 -1.357 -1.836 -13.912 1.00 0.00 C ATOM 768 CD LYS A 47 -2.187 -2.900 -14.633 1.00 0.00 C ATOM 769 CE LYS A 47 -1.461 -3.336 -15.909 1.00 0.00 C ATOM 770 NZ LYS A 47 -2.464 -4.132 -16.670 1.00 0.00 N ATOM 0 H LYS A 47 1.331 -0.460 -12.887 1.00 0.00 H new ATOM 0 HA LYS A 47 -0.579 -2.284 -11.472 1.00 0.00 H new ATOM 0 HB2 LYS A 47 0.781 -1.954 -14.183 1.00 0.00 H new ATOM 0 HB3 LYS A 47 0.033 -3.481 -13.761 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -1.871 -1.511 -13.007 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -1.242 -0.957 -14.547 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -2.344 -3.758 -13.980 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -3.172 -2.503 -14.880 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -1.122 -2.474 -16.484 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -0.578 -3.932 -15.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -2.221 -4.122 -17.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -2.464 -5.113 -16.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -3.409 -3.718 -16.537 1.00 0.00 H new ATOM 784 N VAL A 48 1.085 -4.059 -10.765 1.00 0.00 N ATOM 785 CA VAL A 48 2.152 -4.941 -10.261 1.00 0.00 C ATOM 786 C VAL A 48 1.845 -6.408 -10.547 1.00 0.00 C ATOM 787 O VAL A 48 0.790 -6.898 -10.213 1.00 0.00 O ATOM 788 CB VAL A 48 2.129 -4.703 -8.763 1.00 0.00 C ATOM 789 CG1 VAL A 48 3.208 -5.539 -8.112 1.00 0.00 C ATOM 790 CG2 VAL A 48 2.369 -3.228 -8.469 1.00 0.00 C ATOM 0 H VAL A 48 0.144 -4.263 -10.428 1.00 0.00 H new ATOM 0 HA VAL A 48 3.114 -4.731 -10.729 1.00 0.00 H new ATOM 0 HB VAL A 48 1.156 -4.987 -8.363 1.00 0.00 H new ATOM 0 HG11 VAL A 48 3.197 -5.373 -7.035 1.00 0.00 H new ATOM 0 HG12 VAL A 48 3.025 -6.594 -8.318 1.00 0.00 H new ATOM 0 HG13 VAL A 48 4.181 -5.254 -8.513 1.00 0.00 H new ATOM 0 HG21 VAL A 48 2.351 -3.064 -7.392 1.00 0.00 H new ATOM 0 HG22 VAL A 48 3.340 -2.931 -8.865 1.00 0.00 H new ATOM 0 HG23 VAL A 48 1.588 -2.631 -8.940 1.00 0.00 H new ATOM 800 N HIS A 49 2.771 -7.121 -11.125 1.00 0.00 N ATOM 801 CA HIS A 49 2.526 -8.567 -11.395 1.00 0.00 C ATOM 802 C HIS A 49 2.967 -9.399 -10.187 1.00 0.00 C ATOM 803 O HIS A 49 4.142 -9.604 -9.957 1.00 0.00 O ATOM 804 CB HIS A 49 3.382 -8.897 -12.621 1.00 0.00 C ATOM 805 CG HIS A 49 3.295 -10.372 -12.915 1.00 0.00 C ATOM 806 ND1 HIS A 49 4.420 -11.180 -12.977 1.00 0.00 N ATOM 807 CD2 HIS A 49 2.227 -11.197 -13.167 1.00 0.00 C ATOM 808 CE1 HIS A 49 4.006 -12.430 -13.256 1.00 0.00 C ATOM 809 NE2 HIS A 49 2.678 -12.495 -13.383 1.00 0.00 N ATOM 0 H HIS A 49 3.681 -6.769 -11.421 1.00 0.00 H new ATOM 0 HA HIS A 49 1.473 -8.787 -11.571 1.00 0.00 H new ATOM 0 HB2 HIS A 49 3.039 -8.323 -13.482 1.00 0.00 H new ATOM 0 HB3 HIS A 49 4.419 -8.612 -12.441 1.00 0.00 H new ATOM 0 HD2 HIS A 49 1.193 -10.885 -13.194 1.00 0.00 H new ATOM 0 HE1 HIS A 49 4.667 -13.277 -13.364 1.00 0.00 H new ATOM 0 HE2 HIS A 49 2.115 -13.319 -13.593 1.00 0.00 H new ATOM 817 N VAL A 50 2.030 -9.876 -9.412 1.00 0.00 N ATOM 818 CA VAL A 50 2.393 -10.692 -8.214 1.00 0.00 C ATOM 819 C VAL A 50 2.667 -12.129 -8.620 1.00 0.00 C ATOM 820 O VAL A 50 1.971 -12.713 -9.426 1.00 0.00 O ATOM 821 CB VAL A 50 1.178 -10.604 -7.288 1.00 0.00 C ATOM 822 CG1 VAL A 50 1.350 -11.558 -6.101 1.00 0.00 C ATOM 823 CG2 VAL A 50 1.044 -9.174 -6.767 1.00 0.00 C ATOM 0 H VAL A 50 1.030 -9.737 -9.555 1.00 0.00 H new ATOM 0 HA VAL A 50 3.297 -10.330 -7.724 1.00 0.00 H new ATOM 0 HB VAL A 50 0.284 -10.884 -7.845 1.00 0.00 H new ATOM 0 HG11 VAL A 50 0.480 -11.487 -5.448 1.00 0.00 H new ATOM 0 HG12 VAL A 50 1.447 -12.580 -6.467 1.00 0.00 H new ATOM 0 HG13 VAL A 50 2.246 -11.286 -5.542 1.00 0.00 H new ATOM 0 HG21 VAL A 50 0.179 -9.107 -6.107 1.00 0.00 H new ATOM 0 HG22 VAL A 50 1.944 -8.902 -6.215 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.913 -8.492 -7.607 1.00 0.00 H new ATOM 833 N LEU A 51 3.701 -12.691 -8.073 1.00 0.00 N ATOM 834 CA LEU A 51 4.061 -14.074 -8.421 1.00 0.00 C ATOM 835 C LEU A 51 3.418 -15.075 -7.460 1.00 0.00 C ATOM 836 O LEU A 51 3.917 -16.165 -7.256 1.00 0.00 O ATOM 837 CB LEU A 51 5.576 -14.108 -8.308 1.00 0.00 C ATOM 838 CG LEU A 51 6.212 -14.060 -9.700 1.00 0.00 C ATOM 839 CD1 LEU A 51 5.695 -15.226 -10.546 1.00 0.00 C ATOM 840 CD2 LEU A 51 5.850 -12.739 -10.381 1.00 0.00 C ATOM 0 H LEU A 51 4.315 -12.242 -7.393 1.00 0.00 H new ATOM 0 HA LEU A 51 3.710 -14.353 -9.415 1.00 0.00 H new ATOM 0 HB2 LEU A 51 5.922 -13.263 -7.713 1.00 0.00 H new ATOM 0 HB3 LEU A 51 5.889 -15.014 -7.788 1.00 0.00 H new ATOM 0 HG LEU A 51 7.295 -14.137 -9.603 1.00 0.00 H new ATOM 0 HD11 LEU A 51 6.150 -15.188 -11.536 1.00 0.00 H new ATOM 0 HD12 LEU A 51 5.954 -16.168 -10.064 1.00 0.00 H new ATOM 0 HD13 LEU A 51 4.612 -15.154 -10.642 1.00 0.00 H new ATOM 0 HD21 LEU A 51 6.303 -12.705 -11.372 1.00 0.00 H new ATOM 0 HD22 LEU A 51 4.767 -12.663 -10.474 1.00 0.00 H new ATOM 0 HD23 LEU A 51 6.222 -11.907 -9.783 1.00 0.00 H new ATOM 852 N GLN A 52 2.312 -14.721 -6.874 1.00 0.00 N ATOM 853 CA GLN A 52 1.637 -15.660 -5.934 1.00 0.00 C ATOM 854 C GLN A 52 0.942 -16.791 -6.708 1.00 0.00 C ATOM 855 O GLN A 52 0.428 -17.723 -6.125 1.00 0.00 O ATOM 856 CB GLN A 52 0.609 -14.810 -5.188 1.00 0.00 C ATOM 857 CG GLN A 52 0.155 -15.548 -3.925 1.00 0.00 C ATOM 858 CD GLN A 52 1.366 -15.845 -3.037 1.00 0.00 C ATOM 859 OE1 GLN A 52 2.401 -15.224 -3.175 1.00 0.00 O ATOM 860 NE2 GLN A 52 1.280 -16.776 -2.128 1.00 0.00 N ATOM 0 H GLN A 52 1.845 -13.824 -7.003 1.00 0.00 H new ATOM 0 HA GLN A 52 2.344 -16.134 -5.254 1.00 0.00 H new ATOM 0 HB2 GLN A 52 1.043 -13.846 -4.922 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -0.247 -14.608 -5.832 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -0.569 -14.943 -3.379 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -0.346 -16.477 -4.196 1.00 0.00 H new ATOM 0 HE21 GLN A 52 0.411 -17.297 -2.012 1.00 0.00 H new ATOM 0 HE22 GLN A 52 2.082 -16.983 -1.533 1.00 0.00 H new ATOM 869 N ASN A 53 0.928 -16.717 -8.019 1.00 0.00 N ATOM 870 CA ASN A 53 0.272 -17.784 -8.842 1.00 0.00 C ATOM 871 C ASN A 53 -1.241 -17.817 -8.593 1.00 0.00 C ATOM 872 O ASN A 53 -2.025 -17.478 -9.458 1.00 0.00 O ATOM 873 CB ASN A 53 0.920 -19.105 -8.411 1.00 0.00 C ATOM 874 CG ASN A 53 1.204 -19.961 -9.648 1.00 0.00 C ATOM 875 OD1 ASN A 53 0.885 -19.573 -10.754 1.00 0.00 O ATOM 876 ND2 ASN A 53 1.794 -21.115 -9.507 1.00 0.00 N ATOM 0 H ASN A 53 1.346 -15.958 -8.557 1.00 0.00 H new ATOM 0 HA ASN A 53 0.407 -17.600 -9.908 1.00 0.00 H new ATOM 0 HB2 ASN A 53 1.846 -18.909 -7.871 1.00 0.00 H new ATOM 0 HB3 ASN A 53 0.260 -19.641 -7.729 1.00 0.00 H new ATOM 0 HD21 ASN A 53 1.988 -21.692 -10.325 1.00 0.00 H new ATOM 0 HD22 ASN A 53 2.062 -21.441 -8.578 1.00 0.00 H new ATOM 883 N ASN A 54 -1.661 -18.223 -7.427 1.00 0.00 N ATOM 884 CA ASN A 54 -3.125 -18.277 -7.143 1.00 0.00 C ATOM 885 C ASN A 54 -3.750 -16.889 -7.302 1.00 0.00 C ATOM 886 O ASN A 54 -3.159 -15.886 -6.955 1.00 0.00 O ATOM 887 CB ASN A 54 -3.236 -18.748 -5.694 1.00 0.00 C ATOM 888 CG ASN A 54 -3.841 -20.150 -5.660 1.00 0.00 C ATOM 889 OD1 ASN A 54 -3.183 -21.101 -5.286 1.00 0.00 O ATOM 890 ND2 ASN A 54 -5.079 -20.320 -6.039 1.00 0.00 N ATOM 0 H ASN A 54 -1.057 -18.519 -6.660 1.00 0.00 H new ATOM 0 HA ASN A 54 -3.649 -18.942 -7.829 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -2.252 -18.753 -5.226 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -3.857 -18.058 -5.123 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -5.494 -21.251 -6.021 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -5.631 -19.521 -6.353 1.00 0.00 H new ATOM 897 N PHE A 55 -4.943 -16.827 -7.831 1.00 0.00 N ATOM 898 CA PHE A 55 -5.609 -15.506 -8.023 1.00 0.00 C ATOM 899 C PHE A 55 -6.069 -14.929 -6.680 1.00 0.00 C ATOM 900 O PHE A 55 -5.675 -13.847 -6.298 1.00 0.00 O ATOM 901 CB PHE A 55 -6.813 -15.793 -8.920 1.00 0.00 C ATOM 902 CG PHE A 55 -6.396 -15.699 -10.368 1.00 0.00 C ATOM 903 CD1 PHE A 55 -5.413 -16.560 -10.870 1.00 0.00 C ATOM 904 CD2 PHE A 55 -6.991 -14.750 -11.209 1.00 0.00 C ATOM 905 CE1 PHE A 55 -5.026 -16.473 -12.213 1.00 0.00 C ATOM 906 CE2 PHE A 55 -6.603 -14.664 -12.551 1.00 0.00 C ATOM 907 CZ PHE A 55 -5.620 -15.525 -13.053 1.00 0.00 C ATOM 0 H PHE A 55 -5.485 -17.634 -8.139 1.00 0.00 H new ATOM 0 HA PHE A 55 -4.934 -14.772 -8.463 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -7.209 -16.786 -8.708 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -7.612 -15.081 -8.714 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -4.953 -17.291 -10.222 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -7.749 -14.085 -10.822 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -4.269 -17.138 -12.601 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -7.062 -13.933 -13.200 1.00 0.00 H new ATOM 0 HZ PHE A 55 -5.320 -15.457 -14.088 1.00 0.00 H new ATOM 917 N ASP A 56 -6.901 -15.633 -5.962 1.00 0.00 N ATOM 918 CA ASP A 56 -7.375 -15.093 -4.653 1.00 0.00 C ATOM 919 C ASP A 56 -6.195 -14.816 -3.729 1.00 0.00 C ATOM 920 O ASP A 56 -6.281 -14.039 -2.797 1.00 0.00 O ATOM 921 CB ASP A 56 -8.290 -16.167 -4.069 1.00 0.00 C ATOM 922 CG ASP A 56 -9.379 -16.520 -5.085 1.00 0.00 C ATOM 923 OD1 ASP A 56 -10.134 -15.633 -5.447 1.00 0.00 O ATOM 924 OD2 ASP A 56 -9.438 -17.672 -5.484 1.00 0.00 O ATOM 0 H ASP A 56 -7.270 -16.548 -6.220 1.00 0.00 H new ATOM 0 HA ASP A 56 -7.903 -14.147 -4.773 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -7.711 -17.056 -3.818 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -8.743 -15.810 -3.144 1.00 0.00 H new ATOM 929 N ASP A 57 -5.092 -15.428 -3.999 1.00 0.00 N ATOM 930 CA ASP A 57 -3.883 -15.199 -3.159 1.00 0.00 C ATOM 931 C ASP A 57 -3.219 -13.891 -3.587 1.00 0.00 C ATOM 932 O ASP A 57 -2.609 -13.200 -2.794 1.00 0.00 O ATOM 933 CB ASP A 57 -2.963 -16.388 -3.430 1.00 0.00 C ATOM 934 CG ASP A 57 -3.544 -17.646 -2.780 1.00 0.00 C ATOM 935 OD1 ASP A 57 -4.738 -17.663 -2.535 1.00 0.00 O ATOM 936 OD2 ASP A 57 -2.784 -18.569 -2.539 1.00 0.00 O ATOM 0 H ASP A 57 -4.966 -16.084 -4.770 1.00 0.00 H new ATOM 0 HA ASP A 57 -4.117 -15.120 -2.097 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -2.854 -16.539 -4.504 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -1.968 -16.188 -3.033 1.00 0.00 H new ATOM 941 N LYS A 58 -3.351 -13.539 -4.838 1.00 0.00 N ATOM 942 CA LYS A 58 -2.749 -12.265 -5.321 1.00 0.00 C ATOM 943 C LYS A 58 -3.426 -11.098 -4.606 1.00 0.00 C ATOM 944 O LYS A 58 -2.782 -10.188 -4.124 1.00 0.00 O ATOM 945 CB LYS A 58 -3.056 -12.222 -6.819 1.00 0.00 C ATOM 946 CG LYS A 58 -1.820 -12.643 -7.615 1.00 0.00 C ATOM 947 CD LYS A 58 -2.227 -13.642 -8.699 1.00 0.00 C ATOM 948 CE LYS A 58 -1.053 -14.575 -9.002 1.00 0.00 C ATOM 949 NZ LYS A 58 -1.327 -15.102 -10.368 1.00 0.00 N ATOM 0 H LYS A 58 -3.850 -14.079 -5.545 1.00 0.00 H new ATOM 0 HA LYS A 58 -1.678 -12.201 -5.130 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -3.890 -12.886 -7.047 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -3.360 -11.216 -7.108 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -1.351 -11.769 -8.068 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -1.082 -13.092 -6.950 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -3.089 -14.221 -8.369 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -2.526 -13.112 -9.603 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -0.104 -14.040 -8.968 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -0.991 -15.382 -8.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -0.427 -15.290 -10.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -1.873 -15.985 -10.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -1.873 -14.400 -10.908 1.00 0.00 H new ATOM 963 N LYS A 59 -4.728 -11.134 -4.526 1.00 0.00 N ATOM 964 CA LYS A 59 -5.464 -10.042 -3.834 1.00 0.00 C ATOM 965 C LYS A 59 -4.980 -9.936 -2.387 1.00 0.00 C ATOM 966 O LYS A 59 -4.713 -8.862 -1.888 1.00 0.00 O ATOM 967 CB LYS A 59 -6.933 -10.466 -3.891 1.00 0.00 C ATOM 968 CG LYS A 59 -7.780 -9.496 -3.066 1.00 0.00 C ATOM 969 CD LYS A 59 -8.220 -10.178 -1.768 1.00 0.00 C ATOM 970 CE LYS A 59 -9.666 -9.786 -1.452 1.00 0.00 C ATOM 971 NZ LYS A 59 -10.357 -11.071 -1.150 1.00 0.00 N ATOM 0 H LYS A 59 -5.314 -11.875 -4.911 1.00 0.00 H new ATOM 0 HA LYS A 59 -5.310 -9.066 -4.294 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -7.279 -10.478 -4.925 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -7.044 -11.480 -3.506 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -7.206 -8.597 -2.840 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -8.653 -9.182 -3.638 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -8.139 -11.260 -1.867 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -7.564 -9.883 -0.949 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -9.713 -9.104 -0.603 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -10.131 -9.277 -2.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -11.355 -10.884 -0.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -10.302 -11.698 -1.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -9.898 -11.530 -0.337 1.00 0.00 H new ATOM 985 N GLU A 60 -4.855 -11.049 -1.711 1.00 0.00 N ATOM 986 CA GLU A 60 -4.376 -11.008 -0.299 1.00 0.00 C ATOM 987 C GLU A 60 -3.053 -10.239 -0.224 1.00 0.00 C ATOM 988 O GLU A 60 -2.857 -9.400 0.636 1.00 0.00 O ATOM 989 CB GLU A 60 -4.170 -12.471 0.094 1.00 0.00 C ATOM 990 CG GLU A 60 -4.385 -12.629 1.600 1.00 0.00 C ATOM 991 CD GLU A 60 -3.616 -13.853 2.100 1.00 0.00 C ATOM 992 OE1 GLU A 60 -2.399 -13.842 2.009 1.00 0.00 O ATOM 993 OE2 GLU A 60 -4.256 -14.781 2.567 1.00 0.00 O ATOM 0 H GLU A 60 -5.063 -11.979 -2.074 1.00 0.00 H new ATOM 0 HA GLU A 60 -5.079 -10.507 0.366 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -4.866 -13.107 -0.452 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -3.165 -12.793 -0.177 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -4.045 -11.735 2.122 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -5.447 -12.740 1.817 1.00 0.00 H new ATOM 1000 N LEU A 61 -2.145 -10.508 -1.126 1.00 0.00 N ATOM 1001 CA LEU A 61 -0.846 -9.782 -1.110 1.00 0.00 C ATOM 1002 C LEU A 61 -1.107 -8.274 -1.118 1.00 0.00 C ATOM 1003 O LEU A 61 -0.569 -7.537 -0.317 1.00 0.00 O ATOM 1004 CB LEU A 61 -0.122 -10.225 -2.385 1.00 0.00 C ATOM 1005 CG LEU A 61 0.779 -11.424 -2.068 1.00 0.00 C ATOM 1006 CD1 LEU A 61 0.028 -12.722 -2.369 1.00 0.00 C ATOM 1007 CD2 LEU A 61 2.045 -11.359 -2.930 1.00 0.00 C ATOM 0 H LEU A 61 -2.249 -11.198 -1.870 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.250 -10.000 -0.224 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -0.847 -10.494 -3.153 1.00 0.00 H new ATOM 0 HB3 LEU A 61 0.474 -9.403 -2.782 1.00 0.00 H new ATOM 0 HG LEU A 61 1.055 -11.398 -1.014 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.669 -13.574 -2.143 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -0.872 -12.772 -1.756 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -0.250 -12.746 -3.423 1.00 0.00 H new ATOM 0 HD21 LEU A 61 2.684 -12.212 -2.703 1.00 0.00 H new ATOM 0 HD22 LEU A 61 1.769 -11.383 -3.984 1.00 0.00 H new ATOM 0 HD23 LEU A 61 2.583 -10.436 -2.717 1.00 0.00 H new ATOM 1019 N ALA A 62 -1.951 -7.807 -2.002 1.00 0.00 N ATOM 1020 CA ALA A 62 -2.251 -6.348 -2.029 1.00 0.00 C ATOM 1021 C ALA A 62 -2.715 -5.900 -0.645 1.00 0.00 C ATOM 1022 O ALA A 62 -2.565 -4.760 -0.269 1.00 0.00 O ATOM 1023 CB ALA A 62 -3.373 -6.175 -3.047 1.00 0.00 C ATOM 0 H ALA A 62 -2.440 -8.368 -2.699 1.00 0.00 H new ATOM 0 HA ALA A 62 -1.378 -5.752 -2.296 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -3.643 -5.121 -3.116 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -3.037 -6.528 -4.022 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -4.242 -6.752 -2.732 1.00 0.00 H new ATOM 1029 N GLU A 63 -3.261 -6.796 0.130 1.00 0.00 N ATOM 1030 CA GLU A 63 -3.701 -6.406 1.495 1.00 0.00 C ATOM 1031 C GLU A 63 -2.482 -5.948 2.273 1.00 0.00 C ATOM 1032 O GLU A 63 -2.488 -4.955 2.977 1.00 0.00 O ATOM 1033 CB GLU A 63 -4.300 -7.674 2.104 1.00 0.00 C ATOM 1034 CG GLU A 63 -5.377 -7.294 3.119 1.00 0.00 C ATOM 1035 CD GLU A 63 -4.814 -7.427 4.536 1.00 0.00 C ATOM 1036 OE1 GLU A 63 -3.602 -7.440 4.672 1.00 0.00 O ATOM 1037 OE2 GLU A 63 -5.605 -7.512 5.461 1.00 0.00 O ATOM 0 H GLU A 63 -3.420 -7.772 -0.121 1.00 0.00 H new ATOM 0 HA GLU A 63 -4.428 -5.594 1.502 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -4.728 -8.299 1.320 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -3.520 -8.261 2.589 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -5.712 -6.272 2.944 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -6.247 -7.939 3.000 1.00 0.00 H new ATOM 1044 N THR A 64 -1.434 -6.671 2.103 1.00 0.00 N ATOM 1045 CA THR A 64 -0.149 -6.336 2.776 1.00 0.00 C ATOM 1046 C THR A 64 0.597 -5.281 1.960 1.00 0.00 C ATOM 1047 O THR A 64 1.239 -4.401 2.498 1.00 0.00 O ATOM 1048 CB THR A 64 0.645 -7.643 2.794 1.00 0.00 C ATOM 1049 OG1 THR A 64 -0.098 -8.640 3.482 1.00 0.00 O ATOM 1050 CG2 THR A 64 1.983 -7.421 3.499 1.00 0.00 C ATOM 0 H THR A 64 -1.401 -7.503 1.514 1.00 0.00 H new ATOM 0 HA THR A 64 -0.297 -5.935 3.779 1.00 0.00 H new ATOM 0 HB THR A 64 0.828 -7.970 1.770 1.00 0.00 H new ATOM 0 HG1 THR A 64 0.410 -9.478 3.492 1.00 0.00 H new ATOM 0 HG21 THR A 64 2.547 -8.354 3.511 1.00 0.00 H new ATOM 0 HG22 THR A 64 2.553 -6.659 2.967 1.00 0.00 H new ATOM 0 HG23 THR A 64 1.805 -7.092 4.523 1.00 0.00 H new ATOM 1058 N LEU A 65 0.517 -5.366 0.660 1.00 0.00 N ATOM 1059 CA LEU A 65 1.223 -4.373 -0.193 1.00 0.00 C ATOM 1060 C LEU A 65 0.487 -3.033 -0.160 1.00 0.00 C ATOM 1061 O LEU A 65 1.069 -2.008 0.128 1.00 0.00 O ATOM 1062 CB LEU A 65 1.186 -4.972 -1.600 1.00 0.00 C ATOM 1063 CG LEU A 65 2.545 -5.584 -1.931 1.00 0.00 C ATOM 1064 CD1 LEU A 65 2.445 -6.388 -3.229 1.00 0.00 C ATOM 1065 CD2 LEU A 65 3.570 -4.468 -2.105 1.00 0.00 C ATOM 0 H LEU A 65 -0.007 -6.080 0.154 1.00 0.00 H new ATOM 0 HA LEU A 65 2.242 -4.183 0.145 1.00 0.00 H new ATOM 0 HB2 LEU A 65 0.408 -5.733 -1.662 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.936 -4.201 -2.328 1.00 0.00 H new ATOM 0 HG LEU A 65 2.853 -6.244 -1.120 1.00 0.00 H new ATOM 0 HD11 LEU A 65 3.416 -6.824 -3.463 1.00 0.00 H new ATOM 0 HD12 LEU A 65 1.710 -7.184 -3.108 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.137 -5.730 -4.042 1.00 0.00 H new ATOM 0 HD21 LEU A 65 4.542 -4.901 -2.342 1.00 0.00 H new ATOM 0 HD22 LEU A 65 3.258 -3.811 -2.917 1.00 0.00 H new ATOM 0 HD23 LEU A 65 3.643 -3.894 -1.181 1.00 0.00 H new ATOM 1077 N SER A 66 -0.790 -3.033 -0.436 1.00 0.00 N ATOM 1078 CA SER A 66 -1.557 -1.754 -0.408 1.00 0.00 C ATOM 1079 C SER A 66 -1.368 -1.049 0.940 1.00 0.00 C ATOM 1080 O SER A 66 -1.100 0.135 0.999 1.00 0.00 O ATOM 1081 CB SER A 66 -3.019 -2.158 -0.596 1.00 0.00 C ATOM 1082 OG SER A 66 -3.144 -2.930 -1.784 1.00 0.00 O ATOM 0 H SER A 66 -1.334 -3.861 -0.679 1.00 0.00 H new ATOM 0 HA SER A 66 -1.223 -1.061 -1.180 1.00 0.00 H new ATOM 0 HB2 SER A 66 -3.363 -2.734 0.263 1.00 0.00 H new ATOM 0 HB3 SER A 66 -3.649 -1.270 -0.657 1.00 0.00 H new ATOM 0 HG SER A 66 -3.391 -3.850 -1.552 1.00 0.00 H new ATOM 1088 N GLU A 67 -1.513 -1.762 2.026 1.00 0.00 N ATOM 1089 CA GLU A 67 -1.348 -1.121 3.363 1.00 0.00 C ATOM 1090 C GLU A 67 0.101 -0.672 3.574 1.00 0.00 C ATOM 1091 O GLU A 67 0.361 0.344 4.188 1.00 0.00 O ATOM 1092 CB GLU A 67 -1.725 -2.205 4.373 1.00 0.00 C ATOM 1093 CG GLU A 67 -3.186 -2.613 4.168 1.00 0.00 C ATOM 1094 CD GLU A 67 -4.098 -1.436 4.517 1.00 0.00 C ATOM 1095 OE1 GLU A 67 -4.242 -0.555 3.686 1.00 0.00 O ATOM 1096 OE2 GLU A 67 -4.639 -1.437 5.611 1.00 0.00 O ATOM 0 H GLU A 67 -1.738 -2.757 2.045 1.00 0.00 H new ATOM 0 HA GLU A 67 -1.968 -0.231 3.466 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -1.075 -3.071 4.252 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -1.579 -1.837 5.388 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -3.348 -2.918 3.134 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -3.426 -3.472 4.795 1.00 0.00 H new ATOM 1103 N ALA A 68 1.047 -1.420 3.077 1.00 0.00 N ATOM 1104 CA ALA A 68 2.474 -1.027 3.260 1.00 0.00 C ATOM 1105 C ALA A 68 2.930 -0.085 2.139 1.00 0.00 C ATOM 1106 O ALA A 68 4.006 0.475 2.192 1.00 0.00 O ATOM 1107 CB ALA A 68 3.255 -2.340 3.207 1.00 0.00 C ATOM 0 H ALA A 68 0.896 -2.283 2.554 1.00 0.00 H new ATOM 0 HA ALA A 68 2.631 -0.491 4.196 1.00 0.00 H new ATOM 0 HB1 ALA A 68 4.318 -2.136 3.334 1.00 0.00 H new ATOM 0 HB2 ALA A 68 2.914 -2.999 4.005 1.00 0.00 H new ATOM 0 HB3 ALA A 68 3.091 -2.822 2.243 1.00 0.00 H new ATOM 1113 N THR A 69 2.128 0.097 1.123 1.00 0.00 N ATOM 1114 CA THR A 69 2.534 1.005 0.011 1.00 0.00 C ATOM 1115 C THR A 69 1.952 2.409 0.213 1.00 0.00 C ATOM 1116 O THR A 69 2.182 3.299 -0.582 1.00 0.00 O ATOM 1117 CB THR A 69 1.955 0.372 -1.253 1.00 0.00 C ATOM 1118 OG1 THR A 69 0.594 0.035 -1.030 1.00 0.00 O ATOM 1119 CG2 THR A 69 2.748 -0.885 -1.614 1.00 0.00 C ATOM 0 H THR A 69 1.214 -0.342 1.015 1.00 0.00 H new ATOM 0 HA THR A 69 3.617 1.118 -0.041 1.00 0.00 H new ATOM 0 HB THR A 69 2.022 1.082 -2.077 1.00 0.00 H new ATOM 0 HG1 THR A 69 0.245 0.561 -0.280 1.00 0.00 H new ATOM 0 HG21 THR A 69 2.330 -1.332 -2.516 1.00 0.00 H new ATOM 0 HG22 THR A 69 3.791 -0.620 -1.790 1.00 0.00 H new ATOM 0 HG23 THR A 69 2.689 -1.600 -0.794 1.00 0.00 H new ATOM 1127 N ARG A 70 1.195 2.623 1.259 1.00 0.00 N ATOM 1128 CA ARG A 70 0.603 3.978 1.485 1.00 0.00 C ATOM 1129 C ARG A 70 -0.251 4.377 0.280 1.00 0.00 C ATOM 1130 O ARG A 70 -0.435 5.543 -0.010 1.00 0.00 O ATOM 1131 CB ARG A 70 1.797 4.925 1.635 1.00 0.00 C ATOM 1132 CG ARG A 70 1.839 5.474 3.064 1.00 0.00 C ATOM 1133 CD ARG A 70 3.240 5.275 3.645 1.00 0.00 C ATOM 1134 NE ARG A 70 3.834 6.639 3.695 1.00 0.00 N ATOM 1135 CZ ARG A 70 4.196 7.151 4.839 1.00 0.00 C ATOM 1136 NH1 ARG A 70 3.408 7.053 5.875 1.00 0.00 N ATOM 1137 NH2 ARG A 70 5.345 7.760 4.948 1.00 0.00 N ATOM 0 H ARG A 70 0.962 1.923 1.963 1.00 0.00 H new ATOM 0 HA ARG A 70 -0.042 4.006 2.363 1.00 0.00 H new ATOM 0 HB2 ARG A 70 2.724 4.397 1.410 1.00 0.00 H new ATOM 0 HB3 ARG A 70 1.716 5.745 0.922 1.00 0.00 H new ATOM 0 HG2 ARG A 70 1.580 6.533 3.066 1.00 0.00 H new ATOM 0 HG3 ARG A 70 1.101 4.964 3.683 1.00 0.00 H new ATOM 0 HD2 ARG A 70 3.196 4.827 4.638 1.00 0.00 H new ATOM 0 HD3 ARG A 70 3.835 4.608 3.021 1.00 0.00 H new ATOM 0 HE ARG A 70 3.958 7.173 2.835 1.00 0.00 H new ATOM 0 HH11 ARG A 70 2.510 6.576 5.790 1.00 0.00 H new ATOM 0 HH12 ARG A 70 3.690 7.453 6.770 1.00 0.00 H new ATOM 0 HH21 ARG A 70 5.961 7.836 4.138 1.00 0.00 H new ATOM 0 HH22 ARG A 70 5.627 8.160 5.843 1.00 0.00 H new ATOM 1151 N SER A 71 -0.776 3.410 -0.421 1.00 0.00 N ATOM 1152 CA SER A 71 -1.624 3.711 -1.610 1.00 0.00 C ATOM 1153 C SER A 71 -2.958 2.968 -1.494 1.00 0.00 C ATOM 1154 O SER A 71 -3.219 2.303 -0.511 1.00 0.00 O ATOM 1155 CB SER A 71 -0.831 3.192 -2.803 1.00 0.00 C ATOM 1156 OG SER A 71 0.462 3.779 -2.806 1.00 0.00 O ATOM 0 H SER A 71 -0.653 2.418 -0.220 1.00 0.00 H new ATOM 0 HA SER A 71 -1.849 4.773 -1.703 1.00 0.00 H new ATOM 0 HB2 SER A 71 -0.749 2.106 -2.753 1.00 0.00 H new ATOM 0 HB3 SER A 71 -1.352 3.430 -3.730 1.00 0.00 H new ATOM 0 HG SER A 71 0.992 3.407 -2.070 1.00 0.00 H new ATOM 1162 N GLU A 72 -3.805 3.067 -2.484 1.00 0.00 N ATOM 1163 CA GLU A 72 -5.112 2.351 -2.402 1.00 0.00 C ATOM 1164 C GLU A 72 -5.383 1.543 -3.677 1.00 0.00 C ATOM 1165 O GLU A 72 -5.430 2.078 -4.767 1.00 0.00 O ATOM 1166 CB GLU A 72 -6.165 3.450 -2.219 1.00 0.00 C ATOM 1167 CG GLU A 72 -6.313 3.770 -0.730 1.00 0.00 C ATOM 1168 CD GLU A 72 -7.731 3.427 -0.270 1.00 0.00 C ATOM 1169 OE1 GLU A 72 -8.177 2.328 -0.558 1.00 0.00 O ATOM 1170 OE2 GLU A 72 -8.347 4.269 0.362 1.00 0.00 O ATOM 0 H GLU A 72 -3.652 3.606 -3.336 1.00 0.00 H new ATOM 0 HA GLU A 72 -5.125 1.634 -1.581 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -5.871 4.345 -2.767 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -7.121 3.125 -2.629 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -5.585 3.202 -0.151 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -6.108 4.826 -0.552 1.00 0.00 H new ATOM 1177 N LEU A 73 -5.553 0.252 -3.543 1.00 0.00 N ATOM 1178 CA LEU A 73 -5.812 -0.608 -4.726 1.00 0.00 C ATOM 1179 C LEU A 73 -7.100 -0.222 -5.445 1.00 0.00 C ATOM 1180 O LEU A 73 -8.177 -0.582 -5.005 1.00 0.00 O ATOM 1181 CB LEU A 73 -6.035 -2.004 -4.126 1.00 0.00 C ATOM 1182 CG LEU A 73 -5.070 -3.024 -4.706 1.00 0.00 C ATOM 1183 CD1 LEU A 73 -5.630 -4.421 -4.434 1.00 0.00 C ATOM 1184 CD2 LEU A 73 -4.939 -2.871 -6.222 1.00 0.00 C ATOM 0 H LEU A 73 -5.522 -0.244 -2.652 1.00 0.00 H new ATOM 0 HA LEU A 73 -4.995 -0.531 -5.443 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -5.911 -1.959 -3.044 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -7.060 -2.323 -4.316 1.00 0.00 H new ATOM 0 HG LEU A 73 -4.094 -2.873 -4.246 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -4.952 -5.171 -4.842 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -5.730 -4.570 -3.359 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -6.607 -4.520 -4.907 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -4.241 -3.616 -6.604 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -5.914 -3.014 -6.688 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -4.568 -1.873 -6.456 1.00 0.00 H new ATOM 1196 N VAL A 74 -7.022 0.426 -6.576 1.00 0.00 N ATOM 1197 CA VAL A 74 -8.287 0.700 -7.296 1.00 0.00 C ATOM 1198 C VAL A 74 -8.765 -0.654 -7.833 1.00 0.00 C ATOM 1199 O VAL A 74 -9.946 -0.910 -7.953 1.00 0.00 O ATOM 1200 CB VAL A 74 -7.975 1.688 -8.421 1.00 0.00 C ATOM 1201 CG1 VAL A 74 -7.307 2.920 -7.846 1.00 0.00 C ATOM 1202 CG2 VAL A 74 -7.034 1.064 -9.420 1.00 0.00 C ATOM 0 H VAL A 74 -6.167 0.765 -7.016 1.00 0.00 H new ATOM 0 HA VAL A 74 -9.064 1.140 -6.671 1.00 0.00 H new ATOM 0 HB VAL A 74 -8.910 1.956 -8.912 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -7.086 3.622 -8.650 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -7.974 3.392 -7.125 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -6.380 2.633 -7.349 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -6.821 1.779 -10.215 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -6.105 0.788 -8.921 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -7.495 0.173 -9.847 1.00 0.00 H new ATOM 1212 N GLN A 75 -7.828 -1.558 -8.108 1.00 0.00 N ATOM 1213 CA GLN A 75 -8.211 -2.928 -8.580 1.00 0.00 C ATOM 1214 C GLN A 75 -7.028 -3.770 -8.999 1.00 0.00 C ATOM 1215 O GLN A 75 -5.897 -3.415 -8.837 1.00 0.00 O ATOM 1216 CB GLN A 75 -9.185 -2.741 -9.748 1.00 0.00 C ATOM 1217 CG GLN A 75 -10.567 -3.270 -9.356 1.00 0.00 C ATOM 1218 CD GLN A 75 -10.667 -4.758 -9.703 1.00 0.00 C ATOM 1219 OE1 GLN A 75 -10.772 -5.593 -8.826 1.00 0.00 O ATOM 1220 NE2 GLN A 75 -10.642 -5.129 -10.955 1.00 0.00 N ATOM 0 H GLN A 75 -6.825 -1.396 -8.023 1.00 0.00 H new ATOM 0 HA GLN A 75 -8.669 -3.473 -7.755 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -9.251 -1.686 -10.014 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -8.819 -3.270 -10.628 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -10.734 -3.123 -8.289 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -11.343 -2.712 -9.880 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -10.554 -4.430 -11.692 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -10.711 -6.118 -11.195 1.00 0.00 H new ATOM 1229 N VAL A 76 -7.327 -4.938 -9.468 1.00 0.00 N ATOM 1230 CA VAL A 76 -6.278 -5.902 -9.872 1.00 0.00 C ATOM 1231 C VAL A 76 -6.519 -6.310 -11.340 1.00 0.00 C ATOM 1232 O VAL A 76 -7.645 -6.524 -11.746 1.00 0.00 O ATOM 1233 CB VAL A 76 -6.486 -7.038 -8.851 1.00 0.00 C ATOM 1234 CG1 VAL A 76 -6.502 -8.418 -9.523 1.00 0.00 C ATOM 1235 CG2 VAL A 76 -5.353 -7.002 -7.822 1.00 0.00 C ATOM 0 H VAL A 76 -8.281 -5.276 -9.592 1.00 0.00 H new ATOM 0 HA VAL A 76 -5.250 -5.541 -9.855 1.00 0.00 H new ATOM 0 HB VAL A 76 -7.453 -6.883 -8.372 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -6.651 -9.189 -8.767 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -7.314 -8.460 -10.249 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -5.552 -8.586 -10.031 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -5.495 -7.803 -7.097 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -4.397 -7.136 -8.328 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -5.360 -6.041 -7.307 1.00 0.00 H new ATOM 1245 N ILE A 77 -5.493 -6.396 -12.146 1.00 0.00 N ATOM 1246 CA ILE A 77 -5.711 -6.760 -13.571 1.00 0.00 C ATOM 1247 C ILE A 77 -5.046 -8.105 -13.922 1.00 0.00 C ATOM 1248 O ILE A 77 -3.871 -8.161 -14.217 1.00 0.00 O ATOM 1249 CB ILE A 77 -5.062 -5.592 -14.324 1.00 0.00 C ATOM 1250 CG1 ILE A 77 -6.027 -4.405 -14.337 1.00 0.00 C ATOM 1251 CG2 ILE A 77 -4.737 -5.991 -15.759 1.00 0.00 C ATOM 1252 CD1 ILE A 77 -7.311 -4.799 -15.069 1.00 0.00 C ATOM 0 H ILE A 77 -4.522 -6.231 -11.879 1.00 0.00 H new ATOM 0 HA ILE A 77 -6.762 -6.900 -13.823 1.00 0.00 H new ATOM 0 HB ILE A 77 -4.136 -5.319 -13.818 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -6.257 -4.099 -13.317 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -5.563 -3.551 -14.829 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -4.277 -5.148 -16.276 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -4.047 -6.834 -15.755 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -5.654 -6.276 -16.274 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -7.999 -3.953 -15.078 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -7.073 -5.084 -16.094 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -7.778 -5.641 -14.557 1.00 0.00 H new ATOM 1264 N GLY A 78 -5.813 -9.173 -13.933 1.00 0.00 N ATOM 1265 CA GLY A 78 -5.276 -10.531 -14.300 1.00 0.00 C ATOM 1266 C GLY A 78 -3.832 -10.722 -13.818 1.00 0.00 C ATOM 1267 O GLY A 78 -2.889 -10.429 -14.526 1.00 0.00 O ATOM 0 H GLY A 78 -6.806 -9.162 -13.699 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -5.910 -11.303 -13.863 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -5.318 -10.658 -15.382 1.00 0.00 H new ATOM 1271 N SER A 79 -3.649 -11.214 -12.619 1.00 0.00 N ATOM 1272 CA SER A 79 -2.263 -11.430 -12.081 1.00 0.00 C ATOM 1273 C SER A 79 -1.535 -10.096 -11.863 1.00 0.00 C ATOM 1274 O SER A 79 -0.378 -10.071 -11.493 1.00 0.00 O ATOM 1275 CB SER A 79 -1.532 -12.274 -13.132 1.00 0.00 C ATOM 1276 OG SER A 79 -2.465 -13.134 -13.773 1.00 0.00 O ATOM 0 H SER A 79 -4.402 -11.478 -11.983 1.00 0.00 H new ATOM 0 HA SER A 79 -2.293 -11.927 -11.111 1.00 0.00 H new ATOM 0 HB2 SER A 79 -1.052 -11.627 -13.866 1.00 0.00 H new ATOM 0 HB3 SER A 79 -0.743 -12.860 -12.660 1.00 0.00 H new ATOM 0 HG SER A 79 -2.002 -13.674 -14.447 1.00 0.00 H new ATOM 1282 N MET A 80 -2.197 -8.988 -12.067 1.00 0.00 N ATOM 1283 CA MET A 80 -1.531 -7.674 -11.846 1.00 0.00 C ATOM 1284 C MET A 80 -2.332 -6.873 -10.816 1.00 0.00 C ATOM 1285 O MET A 80 -3.529 -7.043 -10.694 1.00 0.00 O ATOM 1286 CB MET A 80 -1.529 -6.964 -13.204 1.00 0.00 C ATOM 1287 CG MET A 80 -0.977 -7.904 -14.280 1.00 0.00 C ATOM 1288 SD MET A 80 -0.291 -6.926 -15.641 1.00 0.00 S ATOM 1289 CE MET A 80 0.373 -8.310 -16.600 1.00 0.00 C ATOM 0 H MET A 80 -3.168 -8.937 -12.376 1.00 0.00 H new ATOM 0 HA MET A 80 -0.515 -7.783 -11.467 1.00 0.00 H new ATOM 0 HB2 MET A 80 -2.541 -6.653 -13.464 1.00 0.00 H new ATOM 0 HB3 MET A 80 -0.922 -6.060 -13.151 1.00 0.00 H new ATOM 0 HG2 MET A 80 -0.206 -8.547 -13.856 1.00 0.00 H new ATOM 0 HG3 MET A 80 -1.768 -8.556 -14.649 1.00 0.00 H new ATOM 0 HE1 MET A 80 0.852 -7.931 -17.503 1.00 0.00 H new ATOM 0 HE2 MET A 80 1.106 -8.850 -16.000 1.00 0.00 H new ATOM 0 HE3 MET A 80 -0.438 -8.984 -16.875 1.00 0.00 H new ATOM 1299 N ILE A 81 -1.700 -6.005 -10.072 1.00 0.00 N ATOM 1300 CA ILE A 81 -2.464 -5.219 -9.064 1.00 0.00 C ATOM 1301 C ILE A 81 -2.435 -3.727 -9.415 1.00 0.00 C ATOM 1302 O ILE A 81 -1.403 -3.167 -9.718 1.00 0.00 O ATOM 1303 CB ILE A 81 -1.756 -5.481 -7.736 1.00 0.00 C ATOM 1304 CG1 ILE A 81 -1.772 -6.984 -7.447 1.00 0.00 C ATOM 1305 CG2 ILE A 81 -2.480 -4.739 -6.609 1.00 0.00 C ATOM 1306 CD1 ILE A 81 -1.060 -7.258 -6.123 1.00 0.00 C ATOM 0 H ILE A 81 -0.700 -5.809 -10.118 1.00 0.00 H new ATOM 0 HA ILE A 81 -3.514 -5.508 -9.025 1.00 0.00 H new ATOM 0 HB ILE A 81 -0.727 -5.127 -7.796 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -2.799 -7.345 -7.401 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -1.280 -7.525 -8.255 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -1.972 -4.928 -5.663 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -2.475 -3.669 -6.816 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -3.510 -5.091 -6.544 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -1.072 -8.329 -5.918 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -0.028 -6.912 -6.186 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -1.571 -6.729 -5.319 1.00 0.00 H new ATOM 1318 N VAL A 82 -3.573 -3.095 -9.383 1.00 0.00 N ATOM 1319 CA VAL A 82 -3.655 -1.643 -9.722 1.00 0.00 C ATOM 1320 C VAL A 82 -3.752 -0.787 -8.462 1.00 0.00 C ATOM 1321 O VAL A 82 -4.754 -0.792 -7.780 1.00 0.00 O ATOM 1322 CB VAL A 82 -4.947 -1.492 -10.527 1.00 0.00 C ATOM 1323 CG1 VAL A 82 -4.980 -0.069 -11.075 1.00 0.00 C ATOM 1324 CG2 VAL A 82 -4.939 -2.483 -11.694 1.00 0.00 C ATOM 0 H VAL A 82 -4.463 -3.526 -9.133 1.00 0.00 H new ATOM 0 HA VAL A 82 -2.769 -1.318 -10.268 1.00 0.00 H new ATOM 0 HB VAL A 82 -5.818 -1.689 -9.901 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -5.890 0.076 -11.657 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -4.961 0.640 -10.247 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -4.112 0.095 -11.713 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -5.859 -2.376 -12.268 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -4.084 -2.280 -12.338 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -4.868 -3.500 -11.307 1.00 0.00 H new ATOM 1334 N ILE A 83 -2.735 -0.034 -8.153 1.00 0.00 N ATOM 1335 CA ILE A 83 -2.804 0.812 -6.930 1.00 0.00 C ATOM 1336 C ILE A 83 -2.514 2.278 -7.245 1.00 0.00 C ATOM 1337 O ILE A 83 -1.713 2.601 -8.100 1.00 0.00 O ATOM 1338 CB ILE A 83 -1.726 0.244 -6.012 1.00 0.00 C ATOM 1339 CG1 ILE A 83 -2.015 -1.243 -5.765 1.00 0.00 C ATOM 1340 CG2 ILE A 83 -1.730 1.001 -4.686 1.00 0.00 C ATOM 1341 CD1 ILE A 83 -0.817 -1.919 -5.098 1.00 0.00 C ATOM 0 H ILE A 83 -1.868 0.033 -8.687 1.00 0.00 H new ATOM 0 HA ILE A 83 -3.797 0.792 -6.481 1.00 0.00 H new ATOM 0 HB ILE A 83 -0.747 0.354 -6.478 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -2.897 -1.348 -5.133 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -2.239 -1.738 -6.710 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -0.959 0.593 -4.032 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -1.530 2.057 -4.869 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -2.704 0.894 -4.209 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -1.040 -2.973 -4.931 1.00 0.00 H new ATOM 0 HD12 ILE A 83 0.056 -1.831 -5.744 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -0.612 -1.436 -4.143 1.00 0.00 H new ATOM 1353 N TYR A 84 -3.153 3.163 -6.536 1.00 0.00 N ATOM 1354 CA TYR A 84 -2.917 4.613 -6.752 1.00 0.00 C ATOM 1355 C TYR A 84 -2.263 5.194 -5.494 1.00 0.00 C ATOM 1356 O TYR A 84 -2.869 5.258 -4.444 1.00 0.00 O ATOM 1357 CB TYR A 84 -4.312 5.214 -6.974 1.00 0.00 C ATOM 1358 CG TYR A 84 -4.270 6.722 -6.815 1.00 0.00 C ATOM 1359 CD1 TYR A 84 -3.433 7.493 -7.632 1.00 0.00 C ATOM 1360 CD2 TYR A 84 -5.068 7.344 -5.848 1.00 0.00 C ATOM 1361 CE1 TYR A 84 -3.397 8.885 -7.481 1.00 0.00 C ATOM 1362 CE2 TYR A 84 -5.031 8.735 -5.697 1.00 0.00 C ATOM 1363 CZ TYR A 84 -4.197 9.506 -6.514 1.00 0.00 C ATOM 1364 OH TYR A 84 -4.162 10.877 -6.368 1.00 0.00 O ATOM 0 H TYR A 84 -3.834 2.941 -5.810 1.00 0.00 H new ATOM 0 HA TYR A 84 -2.259 4.824 -7.595 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -4.671 4.957 -7.970 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -5.017 4.786 -6.261 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -2.816 7.014 -8.378 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -5.713 6.750 -5.218 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -2.752 9.480 -8.111 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -5.646 9.213 -4.950 1.00 0.00 H new ATOM 0 HH TYR A 84 -4.777 11.146 -5.654 1.00 0.00 H new ATOM 1374 N ARG A 85 -1.034 5.609 -5.587 1.00 0.00 N ATOM 1375 CA ARG A 85 -0.356 6.172 -4.381 1.00 0.00 C ATOM 1376 C ARG A 85 -0.845 7.606 -4.116 1.00 0.00 C ATOM 1377 O ARG A 85 -1.088 8.366 -5.031 1.00 0.00 O ATOM 1378 CB ARG A 85 1.157 6.096 -4.677 1.00 0.00 C ATOM 1379 CG ARG A 85 1.688 7.394 -5.309 1.00 0.00 C ATOM 1380 CD ARG A 85 1.143 7.534 -6.730 1.00 0.00 C ATOM 1381 NE ARG A 85 1.709 6.374 -7.479 1.00 0.00 N ATOM 1382 CZ ARG A 85 2.970 6.356 -7.843 1.00 0.00 C ATOM 1383 NH1 ARG A 85 3.784 7.320 -7.495 1.00 0.00 N ATOM 1384 NH2 ARG A 85 3.416 5.366 -8.567 1.00 0.00 N ATOM 0 H ARG A 85 -0.470 5.585 -6.436 1.00 0.00 H new ATOM 0 HA ARG A 85 -0.585 5.616 -3.472 1.00 0.00 H new ATOM 0 HB2 ARG A 85 1.698 5.896 -3.752 1.00 0.00 H new ATOM 0 HB3 ARG A 85 1.353 5.260 -5.348 1.00 0.00 H new ATOM 0 HG2 ARG A 85 1.388 8.252 -4.708 1.00 0.00 H new ATOM 0 HG3 ARG A 85 2.778 7.382 -5.326 1.00 0.00 H new ATOM 0 HD2 ARG A 85 0.053 7.515 -6.738 1.00 0.00 H new ATOM 0 HD3 ARG A 85 1.448 8.480 -7.178 1.00 0.00 H new ATOM 0 HE ARG A 85 1.107 5.584 -7.711 1.00 0.00 H new ATOM 0 HH11 ARG A 85 3.441 8.099 -6.933 1.00 0.00 H new ATOM 0 HH12 ARG A 85 4.761 7.292 -7.785 1.00 0.00 H new ATOM 0 HH21 ARG A 85 2.786 4.614 -8.846 1.00 0.00 H new ATOM 0 HH22 ARG A 85 4.395 5.344 -8.854 1.00 0.00 H new ATOM 1398 N GLU A 86 -1.019 7.947 -2.861 1.00 0.00 N ATOM 1399 CA GLU A 86 -1.519 9.307 -2.476 1.00 0.00 C ATOM 1400 C GLU A 86 -0.906 10.421 -3.341 1.00 0.00 C ATOM 1401 O GLU A 86 0.011 10.208 -4.109 1.00 0.00 O ATOM 1402 CB GLU A 86 -1.094 9.474 -1.011 1.00 0.00 C ATOM 1403 CG GLU A 86 0.425 9.657 -0.926 1.00 0.00 C ATOM 1404 CD GLU A 86 0.886 9.451 0.519 1.00 0.00 C ATOM 1405 OE1 GLU A 86 1.055 8.308 0.908 1.00 0.00 O ATOM 1406 OE2 GLU A 86 1.061 10.440 1.210 1.00 0.00 O ATOM 0 H GLU A 86 -0.832 7.328 -2.072 1.00 0.00 H new ATOM 0 HA GLU A 86 -2.596 9.386 -2.621 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -1.598 10.336 -0.573 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -1.397 8.600 -0.434 1.00 0.00 H new ATOM 0 HG2 GLU A 86 0.925 8.945 -1.583 1.00 0.00 H new ATOM 0 HG3 GLU A 86 0.701 10.654 -1.268 1.00 0.00 H new ATOM 1531 N GLU A 94 -6.373 12.322 -12.091 1.00 0.00 N ATOM 1532 CA GLU A 94 -7.854 12.441 -11.993 1.00 0.00 C ATOM 1533 C GLU A 94 -8.396 11.192 -11.348 1.00 0.00 C ATOM 1534 O GLU A 94 -7.807 10.133 -11.459 1.00 0.00 O ATOM 1535 CB GLU A 94 -8.371 12.499 -13.419 1.00 0.00 C ATOM 1536 CG GLU A 94 -9.738 13.186 -13.432 1.00 0.00 C ATOM 1537 CD GLU A 94 -9.595 14.607 -13.982 1.00 0.00 C ATOM 1538 OE1 GLU A 94 -8.988 14.758 -15.030 1.00 0.00 O ATOM 1539 OE2 GLU A 94 -10.096 15.520 -13.347 1.00 0.00 O ATOM 0 HA GLU A 94 -8.150 13.316 -11.413 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -7.670 13.045 -14.050 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -8.453 11.493 -13.830 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -10.436 12.617 -14.046 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -10.151 13.216 -12.424 1.00 0.00 H new ATOM 1546 N LEU A 95 -9.518 11.275 -10.702 1.00 0.00 N ATOM 1547 CA LEU A 95 -10.063 10.047 -10.101 1.00 0.00 C ATOM 1548 C LEU A 95 -11.598 10.134 -9.945 1.00 0.00 C ATOM 1549 O LEU A 95 -12.314 9.447 -10.641 1.00 0.00 O ATOM 1550 CB LEU A 95 -9.337 9.903 -8.758 1.00 0.00 C ATOM 1551 CG LEU A 95 -8.074 9.054 -8.915 1.00 0.00 C ATOM 1552 CD1 LEU A 95 -6.846 9.925 -8.650 1.00 0.00 C ATOM 1553 CD2 LEU A 95 -8.105 7.920 -7.893 1.00 0.00 C ATOM 0 H LEU A 95 -10.068 12.123 -10.568 1.00 0.00 H new ATOM 0 HA LEU A 95 -9.898 9.170 -10.727 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -9.073 10.888 -8.374 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -10.002 9.443 -8.027 1.00 0.00 H new ATOM 0 HG LEU A 95 -8.029 8.646 -9.925 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -5.943 9.324 -8.761 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -6.823 10.749 -9.363 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -6.895 10.324 -7.637 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -7.208 7.310 -7.999 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -8.143 8.338 -6.887 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -8.986 7.301 -8.063 1.00 0.00 H new ATOM 1565 N PRO A 96 -12.078 10.961 -9.046 1.00 0.00 N ATOM 1566 CA PRO A 96 -13.544 11.073 -8.865 1.00 0.00 C ATOM 1567 C PRO A 96 -14.157 11.943 -9.965 1.00 0.00 C ATOM 1568 O PRO A 96 -14.378 13.116 -9.712 1.00 0.00 O ATOM 1569 CB PRO A 96 -13.693 11.733 -7.506 1.00 0.00 C ATOM 1570 CG PRO A 96 -12.422 12.484 -7.291 1.00 0.00 C ATOM 1571 CD PRO A 96 -11.350 11.848 -8.133 1.00 0.00 C ATOM 0 HA PRO A 96 -14.053 10.111 -8.921 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -14.553 12.402 -7.486 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -13.848 10.991 -6.723 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -12.549 13.531 -7.565 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -12.141 12.462 -6.238 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -10.778 12.598 -8.680 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -10.642 11.291 -7.520 1.00 0.00 H new