USER MOD reduce.3.24.130724 H: found=0, std=0, add=635, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 635 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 -33:sc= 0.199 USER MOD Single : A 4 THR OG1 : rot -57:sc= -1.43! USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A -1 SER OG : rot 180:sc= 0 USER MOD Single : A -2 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 HIS :FLIP no HD1:sc= -0.343 F(o=-1.5,f=-0.34) USER MOD Single : A 33 THR OG1 : rot 153:sc= -1.69 USER MOD Single : A 36 GLN : amide:sc= -0.0168 X(o=-0.017,f=-0.43) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= -1.22 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 HIS : no HD1:sc= -0.942 K(o=-0.94,f=-1.5) USER MOD Single : A 66 ASN : amide:sc= 0.254 K(o=0.25,f=-0.63) USER MOD Single : A 67 MET CE :methyl -164:sc= -2.01! (180deg=-2.64!) USER MOD Single : A 68 ASN : amide:sc= 0 K(o=0,f=-0.99) USER MOD Single : A 70 SER OG : rot 120:sc= 0.0406 USER MOD Single : A 76 THR OG1 : rot -45:sc= 0.275 USER MOD Single : A 80 ASN : amide:sc= -0.127 X(o=-0.13,f=0) USER MOD Single : A 83 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0466) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -2 -8.136 23.462 3.207 1.00 0.00 N ATOM 2 CA GLY A -2 -7.123 22.828 2.318 1.00 0.00 C ATOM 3 C GLY A -2 -6.967 21.344 2.590 1.00 0.00 C ATOM 4 O GLY A -2 -6.590 20.946 3.694 1.00 0.00 O ATOM 0 H1 GLY A -2 -8.208 24.475 2.984 1.00 0.00 H new ATOM 0 H2 GLY A -2 -9.060 23.009 3.059 1.00 0.00 H new ATOM 0 H3 GLY A -2 -7.848 23.345 4.200 1.00 0.00 H new ATOM 0 HA2 GLY A -2 -7.412 22.976 1.278 1.00 0.00 H new ATOM 0 HA3 GLY A -2 -6.162 23.323 2.455 1.00 0.00 H new ATOM 10 N SER A -1 -7.259 20.524 1.588 1.00 0.00 N ATOM 11 CA SER A -1 -7.150 19.074 1.728 1.00 0.00 C ATOM 12 C SER A -1 -6.558 18.442 0.473 1.00 0.00 C ATOM 13 O SER A -1 -7.173 18.462 -0.594 1.00 0.00 O ATOM 14 CB SER A -1 -8.526 18.465 2.012 1.00 0.00 C ATOM 15 OG SER A -1 -8.490 17.053 1.906 1.00 0.00 O ATOM 0 H SER A -1 -7.573 20.836 0.669 1.00 0.00 H new ATOM 0 HA SER A -1 -6.483 18.868 2.565 1.00 0.00 H new ATOM 0 HB2 SER A -1 -8.854 18.750 3.012 1.00 0.00 H new ATOM 0 HB3 SER A -1 -9.257 18.867 1.310 1.00 0.00 H new ATOM 0 HG SER A -1 -9.380 16.688 2.093 1.00 0.00 H new ATOM 21 N THR A 3 -5.361 17.875 0.606 1.00 0.00 N ATOM 22 CA THR A 3 -4.692 17.234 -0.523 1.00 0.00 C ATOM 23 C THR A 3 -4.213 15.822 -0.172 1.00 0.00 C ATOM 24 O THR A 3 -3.822 15.060 -1.054 1.00 0.00 O ATOM 25 CB THR A 3 -3.513 18.084 -0.998 1.00 0.00 C ATOM 26 OG1 THR A 3 -2.814 17.425 -2.043 1.00 0.00 O ATOM 27 CG2 THR A 3 -2.523 18.407 0.104 1.00 0.00 C ATOM 0 H THR A 3 -4.837 17.846 1.480 1.00 0.00 H new ATOM 0 HA THR A 3 -5.421 17.149 -1.329 1.00 0.00 H new ATOM 0 HB THR A 3 -3.947 19.021 -1.348 1.00 0.00 H new ATOM 0 HG1 THR A 3 -2.850 16.456 -1.900 1.00 0.00 H new ATOM 0 HG21 THR A 3 -1.712 19.012 -0.301 1.00 0.00 H new ATOM 0 HG22 THR A 3 -3.028 18.960 0.896 1.00 0.00 H new ATOM 0 HG23 THR A 3 -2.116 17.481 0.511 1.00 0.00 H new ATOM 35 N THR A 4 -4.252 15.475 1.115 1.00 0.00 N ATOM 36 CA THR A 4 -3.829 14.151 1.572 1.00 0.00 C ATOM 37 C THR A 4 -2.509 13.727 0.923 1.00 0.00 C ATOM 38 O THR A 4 -2.288 12.547 0.649 1.00 0.00 O ATOM 39 CB THR A 4 -4.926 13.120 1.279 1.00 0.00 C ATOM 40 OG1 THR A 4 -4.676 11.911 1.969 1.00 0.00 O ATOM 41 CG2 THR A 4 -5.081 12.783 -0.189 1.00 0.00 C ATOM 0 H THR A 4 -4.573 16.093 1.860 1.00 0.00 H new ATOM 0 HA THR A 4 -3.664 14.202 2.648 1.00 0.00 H new ATOM 0 HB THR A 4 -5.848 13.593 1.618 1.00 0.00 H new ATOM 0 HG1 THR A 4 -3.794 11.566 1.715 1.00 0.00 H new ATOM 0 HG21 THR A 4 -5.876 12.048 -0.312 1.00 0.00 H new ATOM 0 HG22 THR A 4 -5.333 13.686 -0.745 1.00 0.00 H new ATOM 0 HG23 THR A 4 -4.145 12.372 -0.569 1.00 0.00 H new ATOM 49 N LYS A 5 -1.635 14.701 0.685 1.00 0.00 N ATOM 50 CA LYS A 5 -0.334 14.445 0.073 1.00 0.00 C ATOM 51 C LYS A 5 -0.469 13.597 -1.196 1.00 0.00 C ATOM 52 O LYS A 5 -0.679 14.132 -2.285 1.00 0.00 O ATOM 53 CB LYS A 5 0.601 13.764 1.077 1.00 0.00 C ATOM 54 CG LYS A 5 1.306 14.736 2.015 1.00 0.00 C ATOM 55 CD LYS A 5 0.984 14.448 3.476 1.00 0.00 C ATOM 56 CE LYS A 5 2.223 14.520 4.355 1.00 0.00 C ATOM 57 NZ LYS A 5 2.703 13.165 4.748 1.00 0.00 N ATOM 0 H LYS A 5 -1.806 15.681 0.908 1.00 0.00 H new ATOM 0 HA LYS A 5 0.096 15.405 -0.214 1.00 0.00 H new ATOM 0 HB2 LYS A 5 0.026 13.053 1.670 1.00 0.00 H new ATOM 0 HB3 LYS A 5 1.351 13.191 0.531 1.00 0.00 H new ATOM 0 HG2 LYS A 5 2.383 14.673 1.861 1.00 0.00 H new ATOM 0 HG3 LYS A 5 1.009 15.756 1.772 1.00 0.00 H new ATOM 0 HD2 LYS A 5 0.244 15.164 3.833 1.00 0.00 H new ATOM 0 HD3 LYS A 5 0.536 13.458 3.561 1.00 0.00 H new ATOM 0 HE2 LYS A 5 3.016 15.046 3.823 1.00 0.00 H new ATOM 0 HE3 LYS A 5 2.000 15.100 5.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 3.549 13.256 5.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 1.956 12.672 5.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 2.940 12.620 3.895 1.00 0.00 H new ATOM 71 N ARG A 6 -0.340 12.277 -1.055 1.00 0.00 N ATOM 72 CA ARG A 6 -0.443 11.368 -2.193 1.00 0.00 C ATOM 73 C ARG A 6 -0.096 9.946 -1.770 1.00 0.00 C ATOM 74 O ARG A 6 -0.679 8.978 -2.259 1.00 0.00 O ATOM 75 CB ARG A 6 0.489 11.822 -3.324 1.00 0.00 C ATOM 76 CG ARG A 6 -0.240 12.214 -4.602 1.00 0.00 C ATOM 77 CD ARG A 6 0.519 13.282 -5.375 1.00 0.00 C ATOM 78 NE ARG A 6 0.862 12.845 -6.726 1.00 0.00 N ATOM 79 CZ ARG A 6 1.982 13.193 -7.361 1.00 0.00 C ATOM 80 NH1 ARG A 6 2.873 13.983 -6.776 1.00 0.00 N ATOM 81 NH2 ARG A 6 2.208 12.755 -8.593 1.00 0.00 N ATOM 0 H ARG A 6 -0.164 11.815 -0.163 1.00 0.00 H new ATOM 0 HA ARG A 6 -1.471 11.385 -2.556 1.00 0.00 H new ATOM 0 HB2 ARG A 6 1.078 12.671 -2.978 1.00 0.00 H new ATOM 0 HB3 ARG A 6 1.190 11.018 -3.549 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -0.372 11.334 -5.231 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -1.236 12.582 -4.355 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -0.086 14.187 -5.430 1.00 0.00 H new ATOM 0 HD3 ARG A 6 1.430 13.540 -4.836 1.00 0.00 H new ATOM 0 HE ARG A 6 0.205 12.236 -7.214 1.00 0.00 H new ATOM 0 HH11 ARG A 6 2.705 14.330 -5.832 1.00 0.00 H new ATOM 0 HH12 ARG A 6 3.726 14.243 -7.270 1.00 0.00 H new ATOM 0 HH21 ARG A 6 1.525 12.153 -9.053 1.00 0.00 H new ATOM 0 HH22 ARG A 6 3.064 13.021 -9.080 1.00 0.00 H new ATOM 95 N VAL A 7 0.865 9.832 -0.860 1.00 0.00 N ATOM 96 CA VAL A 7 1.306 8.538 -0.367 1.00 0.00 C ATOM 97 C VAL A 7 0.400 8.034 0.748 1.00 0.00 C ATOM 98 O VAL A 7 0.077 8.767 1.682 1.00 0.00 O ATOM 99 CB VAL A 7 2.751 8.607 0.153 1.00 0.00 C ATOM 100 CG1 VAL A 7 3.734 8.629 -1.006 1.00 0.00 C ATOM 101 CG2 VAL A 7 2.944 9.821 1.050 1.00 0.00 C ATOM 0 H VAL A 7 1.354 10.627 -0.448 1.00 0.00 H new ATOM 0 HA VAL A 7 1.258 7.844 -1.206 1.00 0.00 H new ATOM 0 HB VAL A 7 2.945 7.714 0.748 1.00 0.00 H new ATOM 0 HG11 VAL A 7 4.752 8.678 -0.619 1.00 0.00 H new ATOM 0 HG12 VAL A 7 3.615 7.724 -1.601 1.00 0.00 H new ATOM 0 HG13 VAL A 7 3.541 9.501 -1.630 1.00 0.00 H new ATOM 0 HG21 VAL A 7 3.974 9.850 1.407 1.00 0.00 H new ATOM 0 HG22 VAL A 7 2.730 10.728 0.485 1.00 0.00 H new ATOM 0 HG23 VAL A 7 2.267 9.756 1.902 1.00 0.00 H new ATOM 111 N LEU A 8 -0.013 6.774 0.642 1.00 0.00 N ATOM 112 CA LEU A 8 -0.888 6.169 1.639 1.00 0.00 C ATOM 113 C LEU A 8 -0.255 4.917 2.231 1.00 0.00 C ATOM 114 O LEU A 8 0.657 4.340 1.645 1.00 0.00 O ATOM 115 CB LEU A 8 -2.243 5.829 1.022 1.00 0.00 C ATOM 116 CG LEU A 8 -2.753 6.833 -0.013 1.00 0.00 C ATOM 117 CD1 LEU A 8 -3.865 6.219 -0.848 1.00 0.00 C ATOM 118 CD2 LEU A 8 -3.233 8.099 0.680 1.00 0.00 C ATOM 0 H LEU A 8 0.245 6.153 -0.125 1.00 0.00 H new ATOM 0 HA LEU A 8 -1.036 6.892 2.441 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -2.175 4.848 0.552 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -2.979 5.749 1.822 1.00 0.00 H new ATOM 0 HG LEU A 8 -1.934 7.095 -0.682 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -4.216 6.948 -1.579 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -3.487 5.338 -1.366 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -4.691 5.931 -0.198 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -3.594 8.807 -0.066 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -4.042 7.853 1.368 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -2.408 8.545 1.235 1.00 0.00 H new ATOM 130 N TYR A 9 -0.740 4.504 3.399 1.00 0.00 N ATOM 131 CA TYR A 9 -0.212 3.320 4.072 1.00 0.00 C ATOM 132 C TYR A 9 -1.221 2.179 4.058 1.00 0.00 C ATOM 133 O TYR A 9 -2.397 2.387 4.333 1.00 0.00 O ATOM 134 CB TYR A 9 0.149 3.658 5.520 1.00 0.00 C ATOM 135 CG TYR A 9 1.020 2.618 6.194 1.00 0.00 C ATOM 136 CD1 TYR A 9 0.573 1.312 6.376 1.00 0.00 C ATOM 137 CD2 TYR A 9 2.291 2.944 6.647 1.00 0.00 C ATOM 138 CE1 TYR A 9 1.367 0.366 6.989 1.00 0.00 C ATOM 139 CE2 TYR A 9 3.093 2.002 7.262 1.00 0.00 C ATOM 140 CZ TYR A 9 2.629 0.715 7.432 1.00 0.00 C ATOM 141 OH TYR A 9 3.430 -0.223 8.047 1.00 0.00 O ATOM 0 H TYR A 9 -1.497 4.971 3.899 1.00 0.00 H new ATOM 0 HA TYR A 9 0.680 3.000 3.533 1.00 0.00 H new ATOM 0 HB2 TYR A 9 0.664 4.618 5.541 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -0.769 3.776 6.095 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -0.412 1.035 6.031 1.00 0.00 H new ATOM 0 HD2 TYR A 9 2.659 3.951 6.517 1.00 0.00 H new ATOM 0 HE1 TYR A 9 1.005 -0.643 7.122 1.00 0.00 H new ATOM 0 HE2 TYR A 9 4.080 2.273 7.608 1.00 0.00 H new ATOM 0 HH TYR A 9 4.284 0.188 8.295 1.00 0.00 H new ATOM 151 N VAL A 10 -0.753 0.968 3.770 1.00 0.00 N ATOM 152 CA VAL A 10 -1.627 -0.199 3.762 1.00 0.00 C ATOM 153 C VAL A 10 -1.309 -1.095 4.959 1.00 0.00 C ATOM 154 O VAL A 10 -0.171 -1.528 5.135 1.00 0.00 O ATOM 155 CB VAL A 10 -1.482 -1.016 2.459 1.00 0.00 C ATOM 156 CG1 VAL A 10 -2.535 -2.113 2.398 1.00 0.00 C ATOM 157 CG2 VAL A 10 -1.574 -0.111 1.234 1.00 0.00 C ATOM 0 H VAL A 10 0.221 0.770 3.540 1.00 0.00 H new ATOM 0 HA VAL A 10 -2.654 0.160 3.825 1.00 0.00 H new ATOM 0 HB VAL A 10 -0.497 -1.483 2.458 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -2.418 -2.679 1.474 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -2.414 -2.782 3.250 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -3.529 -1.666 2.426 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -1.469 -0.711 0.330 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -2.541 0.392 1.225 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -0.778 0.633 1.271 1.00 0.00 H new ATOM 167 N GLY A 11 -2.319 -1.355 5.786 1.00 0.00 N ATOM 168 CA GLY A 11 -2.127 -2.184 6.963 1.00 0.00 C ATOM 169 C GLY A 11 -3.083 -3.362 7.023 1.00 0.00 C ATOM 170 O GLY A 11 -4.293 -3.181 7.156 1.00 0.00 O ATOM 0 H GLY A 11 -3.269 -1.005 5.661 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -1.102 -2.554 6.976 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -2.256 -1.573 7.856 1.00 0.00 H new ATOM 174 N GLY A 12 -2.537 -4.570 6.915 1.00 0.00 N ATOM 175 CA GLY A 12 -3.354 -5.768 6.949 1.00 0.00 C ATOM 176 C GLY A 12 -3.187 -6.564 5.680 1.00 0.00 C ATOM 177 O GLY A 12 -4.161 -6.991 5.060 1.00 0.00 O ATOM 0 H GLY A 12 -1.537 -4.740 6.804 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -3.075 -6.380 7.807 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -4.402 -5.496 7.078 1.00 0.00 H new ATOM 181 N LEU A 13 -1.934 -6.735 5.282 1.00 0.00 N ATOM 182 CA LEU A 13 -1.600 -7.452 4.065 1.00 0.00 C ATOM 183 C LEU A 13 -1.131 -8.874 4.349 1.00 0.00 C ATOM 184 O LEU A 13 -1.093 -9.318 5.497 1.00 0.00 O ATOM 185 CB LEU A 13 -0.484 -6.709 3.335 1.00 0.00 C ATOM 186 CG LEU A 13 -0.871 -5.397 2.650 1.00 0.00 C ATOM 187 CD1 LEU A 13 0.360 -4.737 2.038 1.00 0.00 C ATOM 188 CD2 LEU A 13 -1.939 -5.633 1.587 1.00 0.00 C ATOM 0 H LEU A 13 -1.125 -6.381 5.793 1.00 0.00 H new ATOM 0 HA LEU A 13 -2.502 -7.505 3.455 1.00 0.00 H new ATOM 0 HB2 LEU A 13 0.311 -6.499 4.051 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -0.066 -7.377 2.582 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.287 -4.727 3.402 1.00 0.00 H new ATOM 0 HD11 LEU A 13 0.070 -3.804 1.554 1.00 0.00 H new ATOM 0 HD12 LEU A 13 1.088 -4.528 2.822 1.00 0.00 H new ATOM 0 HD13 LEU A 13 0.803 -5.406 1.300 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -2.197 -4.685 1.114 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -1.557 -6.322 0.834 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -2.827 -6.061 2.052 1.00 0.00 H new ATOM 200 N ALA A 14 -0.745 -9.564 3.282 1.00 0.00 N ATOM 201 CA ALA A 14 -0.236 -10.924 3.371 1.00 0.00 C ATOM 202 C ALA A 14 1.000 -11.074 2.494 1.00 0.00 C ATOM 203 O ALA A 14 1.519 -10.092 1.965 1.00 0.00 O ATOM 204 CB ALA A 14 -1.304 -11.925 2.964 1.00 0.00 C ATOM 0 H ALA A 14 -0.777 -9.195 2.332 1.00 0.00 H new ATOM 0 HA ALA A 14 0.040 -11.127 4.406 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -0.902 -12.936 3.038 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -2.165 -11.827 3.625 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -1.612 -11.731 1.937 1.00 0.00 H new ATOM 210 N GLU A 15 1.470 -12.304 2.345 1.00 0.00 N ATOM 211 CA GLU A 15 2.650 -12.575 1.530 1.00 0.00 C ATOM 212 C GLU A 15 2.308 -12.624 0.038 1.00 0.00 C ATOM 213 O GLU A 15 3.183 -12.864 -0.795 1.00 0.00 O ATOM 214 CB GLU A 15 3.283 -13.901 1.961 1.00 0.00 C ATOM 215 CG GLU A 15 4.797 -13.842 2.068 1.00 0.00 C ATOM 216 CD GLU A 15 5.362 -14.923 2.969 1.00 0.00 C ATOM 217 OE1 GLU A 15 4.752 -15.195 4.024 1.00 0.00 O ATOM 218 OE2 GLU A 15 6.415 -15.495 2.619 1.00 0.00 O ATOM 0 H GLU A 15 1.055 -13.130 2.776 1.00 0.00 H new ATOM 0 HA GLU A 15 3.357 -11.760 1.684 1.00 0.00 H new ATOM 0 HB2 GLU A 15 2.870 -14.196 2.926 1.00 0.00 H new ATOM 0 HB3 GLU A 15 3.007 -14.676 1.246 1.00 0.00 H new ATOM 0 HG2 GLU A 15 5.232 -13.940 1.073 1.00 0.00 H new ATOM 0 HG3 GLU A 15 5.092 -12.865 2.450 1.00 0.00 H new ATOM 225 N GLU A 16 1.034 -12.421 -0.297 1.00 0.00 N ATOM 226 CA GLU A 16 0.589 -12.475 -1.691 1.00 0.00 C ATOM 227 C GLU A 16 0.539 -11.093 -2.344 1.00 0.00 C ATOM 228 O GLU A 16 0.711 -10.969 -3.557 1.00 0.00 O ATOM 229 CB GLU A 16 -0.793 -13.133 -1.783 1.00 0.00 C ATOM 230 CG GLU A 16 -1.199 -13.873 -0.521 1.00 0.00 C ATOM 231 CD GLU A 16 -2.332 -14.854 -0.754 1.00 0.00 C ATOM 232 OE1 GLU A 16 -2.094 -15.892 -1.407 1.00 0.00 O ATOM 233 OE2 GLU A 16 -3.457 -14.584 -0.284 1.00 0.00 O ATOM 0 H GLU A 16 0.294 -12.218 0.375 1.00 0.00 H new ATOM 0 HA GLU A 16 1.323 -13.071 -2.233 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -1.537 -12.367 -2.000 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -0.799 -13.830 -2.621 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -0.336 -14.409 -0.126 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -1.500 -13.150 0.237 1.00 0.00 H new ATOM 240 N VAL A 17 0.282 -10.057 -1.550 1.00 0.00 N ATOM 241 CA VAL A 17 0.190 -8.703 -2.072 1.00 0.00 C ATOM 242 C VAL A 17 1.563 -8.076 -2.244 1.00 0.00 C ATOM 243 O VAL A 17 2.480 -8.301 -1.454 1.00 0.00 O ATOM 244 CB VAL A 17 -0.668 -7.799 -1.165 1.00 0.00 C ATOM 245 CG1 VAL A 17 -0.046 -7.680 0.214 1.00 0.00 C ATOM 246 CG2 VAL A 17 -0.868 -6.421 -1.793 1.00 0.00 C ATOM 0 H VAL A 17 0.134 -10.133 -0.544 1.00 0.00 H new ATOM 0 HA VAL A 17 -0.290 -8.783 -3.047 1.00 0.00 H new ATOM 0 HB VAL A 17 -1.649 -8.262 -1.058 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -0.667 -7.038 0.839 1.00 0.00 H new ATOM 0 HG12 VAL A 17 0.025 -8.669 0.668 1.00 0.00 H new ATOM 0 HG13 VAL A 17 0.951 -7.248 0.127 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -1.477 -5.805 -1.132 1.00 0.00 H new ATOM 0 HG22 VAL A 17 0.101 -5.945 -1.942 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -1.371 -6.529 -2.754 1.00 0.00 H new ATOM 256 N ASP A 18 1.675 -7.285 -3.292 1.00 0.00 N ATOM 257 CA ASP A 18 2.911 -6.594 -3.622 1.00 0.00 C ATOM 258 C ASP A 18 2.607 -5.317 -4.398 1.00 0.00 C ATOM 259 O ASP A 18 1.449 -5.009 -4.673 1.00 0.00 O ATOM 260 CB ASP A 18 3.823 -7.505 -4.443 1.00 0.00 C ATOM 261 CG ASP A 18 3.116 -8.095 -5.647 1.00 0.00 C ATOM 262 OD1 ASP A 18 2.569 -7.314 -6.456 1.00 0.00 O ATOM 263 OD2 ASP A 18 3.108 -9.336 -5.783 1.00 0.00 O ATOM 0 H ASP A 18 0.911 -7.101 -3.942 1.00 0.00 H new ATOM 0 HA ASP A 18 3.423 -6.330 -2.696 1.00 0.00 H new ATOM 0 HB2 ASP A 18 4.693 -6.939 -4.777 1.00 0.00 H new ATOM 0 HB3 ASP A 18 4.192 -8.312 -3.810 1.00 0.00 H new ATOM 268 N ASP A 19 3.650 -4.579 -4.747 1.00 0.00 N ATOM 269 CA ASP A 19 3.491 -3.336 -5.490 1.00 0.00 C ATOM 270 C ASP A 19 2.788 -3.579 -6.819 1.00 0.00 C ATOM 271 O ASP A 19 2.084 -2.708 -7.326 1.00 0.00 O ATOM 272 CB ASP A 19 4.851 -2.677 -5.729 1.00 0.00 C ATOM 273 CG ASP A 19 5.852 -3.625 -6.362 1.00 0.00 C ATOM 274 OD1 ASP A 19 6.277 -4.582 -5.680 1.00 0.00 O ATOM 275 OD2 ASP A 19 6.213 -3.407 -7.538 1.00 0.00 O ATOM 0 H ASP A 19 4.617 -4.819 -4.528 1.00 0.00 H new ATOM 0 HA ASP A 19 2.873 -2.666 -4.892 1.00 0.00 H new ATOM 0 HB2 ASP A 19 4.722 -1.807 -6.373 1.00 0.00 H new ATOM 0 HB3 ASP A 19 5.248 -2.315 -4.780 1.00 0.00 H new ATOM 280 N LYS A 20 2.989 -4.766 -7.378 1.00 0.00 N ATOM 281 CA LYS A 20 2.381 -5.128 -8.650 1.00 0.00 C ATOM 282 C LYS A 20 0.868 -5.228 -8.517 1.00 0.00 C ATOM 283 O LYS A 20 0.123 -4.681 -9.330 1.00 0.00 O ATOM 284 CB LYS A 20 2.983 -6.460 -9.140 1.00 0.00 C ATOM 285 CG LYS A 20 1.988 -7.601 -9.335 1.00 0.00 C ATOM 286 CD LYS A 20 1.127 -7.398 -10.571 1.00 0.00 C ATOM 287 CE LYS A 20 0.554 -8.714 -11.067 1.00 0.00 C ATOM 288 NZ LYS A 20 1.548 -9.489 -11.862 1.00 0.00 N ATOM 0 H LYS A 20 3.571 -5.496 -6.968 1.00 0.00 H new ATOM 0 HA LYS A 20 2.593 -4.351 -9.384 1.00 0.00 H new ATOM 0 HB2 LYS A 20 3.493 -6.281 -10.086 1.00 0.00 H new ATOM 0 HB3 LYS A 20 3.741 -6.781 -8.425 1.00 0.00 H new ATOM 0 HG2 LYS A 20 2.529 -8.544 -9.420 1.00 0.00 H new ATOM 0 HG3 LYS A 20 1.348 -7.679 -8.456 1.00 0.00 H new ATOM 0 HD2 LYS A 20 0.314 -6.709 -10.341 1.00 0.00 H new ATOM 0 HD3 LYS A 20 1.722 -6.938 -11.360 1.00 0.00 H new ATOM 0 HE2 LYS A 20 0.225 -9.311 -10.216 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -0.327 -8.519 -11.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 1.118 -10.380 -12.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 1.843 -8.931 -12.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 2.378 -9.698 -11.271 1.00 0.00 H new ATOM 302 N VAL A 21 0.425 -5.923 -7.482 1.00 0.00 N ATOM 303 CA VAL A 21 -0.998 -6.091 -7.238 1.00 0.00 C ATOM 304 C VAL A 21 -1.608 -4.785 -6.766 1.00 0.00 C ATOM 305 O VAL A 21 -2.689 -4.396 -7.201 1.00 0.00 O ATOM 306 CB VAL A 21 -1.284 -7.215 -6.220 1.00 0.00 C ATOM 307 CG1 VAL A 21 -1.387 -6.672 -4.804 1.00 0.00 C ATOM 308 CG2 VAL A 21 -2.550 -7.972 -6.603 1.00 0.00 C ATOM 0 H VAL A 21 1.029 -6.379 -6.798 1.00 0.00 H new ATOM 0 HA VAL A 21 -1.458 -6.383 -8.182 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.444 -7.909 -6.244 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -1.589 -7.491 -4.114 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -0.449 -6.190 -4.530 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -2.197 -5.945 -4.751 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -2.737 -8.761 -5.874 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.395 -7.284 -6.617 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -2.425 -8.413 -7.592 1.00 0.00 H new ATOM 318 N LEU A 22 -0.887 -4.101 -5.884 1.00 0.00 N ATOM 319 CA LEU A 22 -1.344 -2.825 -5.363 1.00 0.00 C ATOM 320 C LEU A 22 -1.503 -1.855 -6.515 1.00 0.00 C ATOM 321 O LEU A 22 -2.399 -1.014 -6.520 1.00 0.00 O ATOM 322 CB LEU A 22 -0.351 -2.275 -4.339 1.00 0.00 C ATOM 323 CG LEU A 22 -0.361 -3.003 -2.992 1.00 0.00 C ATOM 324 CD1 LEU A 22 1.058 -3.224 -2.480 1.00 0.00 C ATOM 325 CD2 LEU A 22 -1.183 -2.236 -1.967 1.00 0.00 C ATOM 0 H LEU A 22 0.013 -4.411 -5.518 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.302 -2.961 -4.862 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.653 -2.329 -4.760 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -0.569 -1.221 -4.170 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.825 -3.978 -3.144 1.00 0.00 H new ATOM 0 HD11 LEU A 22 1.022 -3.743 -1.522 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.614 -3.826 -3.198 1.00 0.00 H new ATOM 0 HD13 LEU A 22 1.553 -2.261 -2.353 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.175 -2.773 -1.019 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.754 -1.244 -1.826 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.209 -2.141 -2.321 1.00 0.00 H new ATOM 337 N HIS A 23 -0.638 -2.005 -7.511 1.00 0.00 N ATOM 338 CA HIS A 23 -0.699 -1.165 -8.693 1.00 0.00 C ATOM 339 C HIS A 23 -2.056 -1.325 -9.365 1.00 0.00 C ATOM 340 O HIS A 23 -2.778 -0.357 -9.573 1.00 0.00 O ATOM 341 CB HIS A 23 0.412 -1.573 -9.668 1.00 0.00 C ATOM 342 CG HIS A 23 1.198 -0.425 -10.219 1.00 0.00 C ATOM 343 ND1 HIS A 23 1.533 0.767 -9.672 1.00 0.00 N flip ATOM 344 CD2 HIS A 23 1.747 -0.428 -11.486 1.00 0.00 C flip ATOM 345 CE1 HIS A 23 2.271 1.452 -10.606 1.00 0.00 C flip ATOM 346 NE2 HIS A 23 2.386 0.709 -11.692 1.00 0.00 N flip ATOM 0 H HIS A 23 0.110 -2.699 -7.521 1.00 0.00 H new ATOM 0 HA HIS A 23 -0.562 -0.123 -8.405 1.00 0.00 H new ATOM 0 HB2 HIS A 23 1.094 -2.255 -9.159 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -0.032 -2.125 -10.496 1.00 0.00 H new ATOM 0 HD2 HIS A 23 1.666 -1.236 -12.198 1.00 0.00 H new ATOM 0 HE1 HIS A 23 2.690 2.439 -10.474 1.00 0.00 H new ATOM 0 HE2 HIS A 23 2.883 0.969 -12.544 1.00 0.00 H new ATOM 355 N ALA A 24 -2.388 -2.570 -9.685 1.00 0.00 N ATOM 356 CA ALA A 24 -3.654 -2.906 -10.327 1.00 0.00 C ATOM 357 C ALA A 24 -4.851 -2.684 -9.406 1.00 0.00 C ATOM 358 O ALA A 24 -5.880 -2.153 -9.823 1.00 0.00 O ATOM 359 CB ALA A 24 -3.622 -4.346 -10.814 1.00 0.00 C ATOM 0 H ALA A 24 -1.788 -3.375 -9.507 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.777 -2.235 -11.177 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.571 -4.590 -11.292 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.811 -4.469 -11.532 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.461 -5.013 -9.967 1.00 0.00 H new ATOM 365 N ALA A 25 -4.725 -3.120 -8.157 1.00 0.00 N ATOM 366 CA ALA A 25 -5.811 -2.992 -7.192 1.00 0.00 C ATOM 367 C ALA A 25 -6.123 -1.542 -6.874 1.00 0.00 C ATOM 368 O ALA A 25 -7.284 -1.170 -6.711 1.00 0.00 O ATOM 369 CB ALA A 25 -5.477 -3.741 -5.909 1.00 0.00 C ATOM 0 H ALA A 25 -3.883 -3.564 -7.790 1.00 0.00 H new ATOM 0 HA ALA A 25 -6.698 -3.432 -7.649 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -6.299 -3.634 -5.201 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -5.326 -4.797 -6.133 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -4.567 -3.329 -5.473 1.00 0.00 H new ATOM 375 N PHE A 26 -5.087 -0.730 -6.751 1.00 0.00 N ATOM 376 CA PHE A 26 -5.276 0.669 -6.412 1.00 0.00 C ATOM 377 C PHE A 26 -5.368 1.577 -7.642 1.00 0.00 C ATOM 378 O PHE A 26 -5.718 2.750 -7.517 1.00 0.00 O ATOM 379 CB PHE A 26 -4.161 1.125 -5.476 1.00 0.00 C ATOM 380 CG PHE A 26 -4.196 0.435 -4.138 1.00 0.00 C ATOM 381 CD1 PHE A 26 -4.048 -0.946 -4.033 1.00 0.00 C ATOM 382 CD2 PHE A 26 -4.379 1.173 -2.980 1.00 0.00 C ATOM 383 CE1 PHE A 26 -4.084 -1.565 -2.798 1.00 0.00 C ATOM 384 CE2 PHE A 26 -4.415 0.556 -1.745 1.00 0.00 C ATOM 385 CZ PHE A 26 -4.267 -0.814 -1.654 1.00 0.00 C ATOM 0 H PHE A 26 -4.115 -1.012 -6.879 1.00 0.00 H new ATOM 0 HA PHE A 26 -6.237 0.755 -5.905 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -3.197 0.938 -5.950 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -4.238 2.202 -5.325 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -3.904 -1.538 -4.925 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -4.495 2.245 -3.044 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -3.969 -2.637 -2.728 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -4.559 1.145 -0.851 1.00 0.00 H new ATOM 0 HZ PHE A 26 -4.294 -1.298 -0.689 1.00 0.00 H new ATOM 395 N ILE A 27 -5.060 1.050 -8.830 1.00 0.00 N ATOM 396 CA ILE A 27 -5.130 1.859 -10.048 1.00 0.00 C ATOM 397 C ILE A 27 -6.553 2.369 -10.313 1.00 0.00 C ATOM 398 O ILE A 27 -6.723 3.519 -10.714 1.00 0.00 O ATOM 399 CB ILE A 27 -4.575 1.117 -11.296 1.00 0.00 C ATOM 400 CG1 ILE A 27 -4.045 2.125 -12.313 1.00 0.00 C ATOM 401 CG2 ILE A 27 -5.610 0.212 -11.946 1.00 0.00 C ATOM 402 CD1 ILE A 27 -2.579 2.442 -12.129 1.00 0.00 C ATOM 0 H ILE A 27 -4.765 0.084 -8.973 1.00 0.00 H new ATOM 0 HA ILE A 27 -4.485 2.720 -9.871 1.00 0.00 H new ATOM 0 HB ILE A 27 -3.761 0.478 -10.954 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -4.202 1.734 -13.318 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -4.622 3.047 -12.236 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -5.169 -0.281 -12.812 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -5.938 -0.540 -11.228 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -6.466 0.808 -12.264 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -2.265 3.164 -12.883 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -2.419 2.862 -11.136 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -1.993 1.529 -12.235 1.00 0.00 H new ATOM 414 N PRO A 28 -7.608 1.545 -10.090 1.00 0.00 N ATOM 415 CA PRO A 28 -8.989 1.989 -10.315 1.00 0.00 C ATOM 416 C PRO A 28 -9.318 3.219 -9.481 1.00 0.00 C ATOM 417 O PRO A 28 -9.925 4.171 -9.971 1.00 0.00 O ATOM 418 CB PRO A 28 -9.843 0.792 -9.874 1.00 0.00 C ATOM 419 CG PRO A 28 -8.940 -0.034 -9.028 1.00 0.00 C ATOM 420 CD PRO A 28 -7.566 0.151 -9.603 1.00 0.00 C ATOM 0 HA PRO A 28 -9.165 2.276 -11.352 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -10.720 1.118 -9.314 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -10.205 0.227 -10.733 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -8.976 0.287 -7.987 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -9.235 -1.083 -9.048 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -6.789 0.007 -8.852 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -7.365 -0.555 -10.409 1.00 0.00 H new ATOM 428 N PHE A 29 -8.895 3.198 -8.220 1.00 0.00 N ATOM 429 CA PHE A 29 -9.127 4.323 -7.320 1.00 0.00 C ATOM 430 C PHE A 29 -8.241 5.498 -7.715 1.00 0.00 C ATOM 431 O PHE A 29 -8.521 6.645 -7.368 1.00 0.00 O ATOM 432 CB PHE A 29 -8.844 3.930 -5.864 1.00 0.00 C ATOM 433 CG PHE A 29 -9.152 2.496 -5.543 1.00 0.00 C ATOM 434 CD1 PHE A 29 -10.408 1.972 -5.796 1.00 0.00 C ATOM 435 CD2 PHE A 29 -8.185 1.672 -4.989 1.00 0.00 C ATOM 436 CE1 PHE A 29 -10.695 0.652 -5.501 1.00 0.00 C ATOM 437 CE2 PHE A 29 -8.464 0.354 -4.693 1.00 0.00 C ATOM 438 CZ PHE A 29 -9.721 -0.158 -4.950 1.00 0.00 C ATOM 0 H PHE A 29 -8.391 2.417 -7.800 1.00 0.00 H new ATOM 0 HA PHE A 29 -10.175 4.613 -7.403 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -7.794 4.122 -5.645 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -9.429 4.572 -5.206 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -11.172 2.601 -6.228 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -7.200 2.067 -4.786 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -11.679 0.255 -5.701 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -7.701 -0.277 -4.261 1.00 0.00 H new ATOM 0 HZ PHE A 29 -9.942 -1.190 -4.721 1.00 0.00 H new ATOM 448 N GLY A 30 -7.165 5.200 -8.440 1.00 0.00 N ATOM 449 CA GLY A 30 -6.249 6.233 -8.869 1.00 0.00 C ATOM 450 C GLY A 30 -4.945 5.648 -9.363 1.00 0.00 C ATOM 451 O GLY A 30 -4.358 4.784 -8.711 1.00 0.00 O ATOM 0 H GLY A 30 -6.914 4.257 -8.737 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -6.709 6.821 -9.663 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -6.053 6.914 -8.041 1.00 0.00 H new ATOM 455 N ASP A 31 -4.498 6.100 -10.526 1.00 0.00 N ATOM 456 CA ASP A 31 -3.266 5.590 -11.113 1.00 0.00 C ATOM 457 C ASP A 31 -2.074 5.827 -10.202 1.00 0.00 C ATOM 458 O ASP A 31 -1.617 6.955 -10.019 1.00 0.00 O ATOM 459 CB ASP A 31 -3.011 6.212 -12.484 1.00 0.00 C ATOM 460 CG ASP A 31 -4.273 6.340 -13.314 1.00 0.00 C ATOM 461 OD1 ASP A 31 -4.976 7.363 -13.174 1.00 0.00 O ATOM 462 OD2 ASP A 31 -4.558 5.417 -14.106 1.00 0.00 O ATOM 0 H ASP A 31 -4.967 6.816 -11.080 1.00 0.00 H new ATOM 0 HA ASP A 31 -3.391 4.514 -11.236 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -2.566 7.198 -12.353 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -2.286 5.604 -13.025 1.00 0.00 H new ATOM 467 N ILE A 32 -1.576 4.736 -9.643 1.00 0.00 N ATOM 468 CA ILE A 32 -0.429 4.773 -8.747 1.00 0.00 C ATOM 469 C ILE A 32 0.825 5.244 -9.471 1.00 0.00 C ATOM 470 O ILE A 32 0.966 5.066 -10.681 1.00 0.00 O ATOM 471 CB ILE A 32 -0.180 3.373 -8.156 1.00 0.00 C ATOM 472 CG1 ILE A 32 -1.416 2.917 -7.386 1.00 0.00 C ATOM 473 CG2 ILE A 32 1.056 3.339 -7.263 1.00 0.00 C ATOM 474 CD1 ILE A 32 -2.275 1.953 -8.165 1.00 0.00 C ATOM 0 H ILE A 32 -1.954 3.801 -9.796 1.00 0.00 H new ATOM 0 HA ILE A 32 -0.652 5.480 -7.948 1.00 0.00 H new ATOM 0 HB ILE A 32 0.008 2.686 -8.981 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -1.103 2.445 -6.455 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -2.011 3.789 -7.117 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.192 2.332 -6.868 1.00 0.00 H new ATOM 0 HG22 ILE A 32 1.933 3.623 -7.845 1.00 0.00 H new ATOM 0 HG23 ILE A 32 0.927 4.038 -6.437 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -3.138 1.666 -7.563 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -2.616 2.430 -9.084 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -1.693 1.065 -8.412 1.00 0.00 H new ATOM 486 N THR A 33 1.734 5.833 -8.711 1.00 0.00 N ATOM 487 CA THR A 33 2.989 6.326 -9.250 1.00 0.00 C ATOM 488 C THR A 33 4.162 5.595 -8.630 1.00 0.00 C ATOM 489 O THR A 33 5.178 5.361 -9.285 1.00 0.00 O ATOM 490 CB THR A 33 3.130 7.818 -8.996 1.00 0.00 C ATOM 491 OG1 THR A 33 1.902 8.376 -8.565 1.00 0.00 O ATOM 492 CG2 THR A 33 3.588 8.595 -10.210 1.00 0.00 C ATOM 0 H THR A 33 1.623 5.982 -7.708 1.00 0.00 H new ATOM 0 HA THR A 33 2.986 6.145 -10.325 1.00 0.00 H new ATOM 0 HB THR A 33 3.894 7.904 -8.223 1.00 0.00 H new ATOM 0 HG1 THR A 33 2.078 9.166 -8.012 1.00 0.00 H new ATOM 0 HG21 THR A 33 3.667 9.652 -9.957 1.00 0.00 H new ATOM 0 HG22 THR A 33 4.561 8.225 -10.533 1.00 0.00 H new ATOM 0 HG23 THR A 33 2.866 8.468 -11.017 1.00 0.00 H new ATOM 500 N ASP A 34 4.027 5.239 -7.360 1.00 0.00 N ATOM 501 CA ASP A 34 5.091 4.542 -6.671 1.00 0.00 C ATOM 502 C ASP A 34 4.555 3.685 -5.526 1.00 0.00 C ATOM 503 O ASP A 34 3.549 4.020 -4.901 1.00 0.00 O ATOM 504 CB ASP A 34 6.120 5.545 -6.141 1.00 0.00 C ATOM 505 CG ASP A 34 7.532 5.217 -6.586 1.00 0.00 C ATOM 506 OD1 ASP A 34 7.812 5.326 -7.799 1.00 0.00 O ATOM 507 OD2 ASP A 34 8.358 4.850 -5.724 1.00 0.00 O ATOM 0 H ASP A 34 3.198 5.421 -6.795 1.00 0.00 H new ATOM 0 HA ASP A 34 5.571 3.876 -7.388 1.00 0.00 H new ATOM 0 HB2 ASP A 34 5.857 6.546 -6.484 1.00 0.00 H new ATOM 0 HB3 ASP A 34 6.080 5.561 -5.052 1.00 0.00 H new ATOM 512 N ILE A 35 5.243 2.586 -5.248 1.00 0.00 N ATOM 513 CA ILE A 35 4.852 1.689 -4.166 1.00 0.00 C ATOM 514 C ILE A 35 6.083 1.115 -3.476 1.00 0.00 C ATOM 515 O ILE A 35 6.906 0.453 -4.109 1.00 0.00 O ATOM 516 CB ILE A 35 3.967 0.531 -4.667 1.00 0.00 C ATOM 517 CG1 ILE A 35 2.835 1.068 -5.548 1.00 0.00 C ATOM 518 CG2 ILE A 35 3.405 -0.257 -3.489 1.00 0.00 C ATOM 519 CD1 ILE A 35 1.946 -0.017 -6.119 1.00 0.00 C ATOM 0 H ILE A 35 6.077 2.293 -5.757 1.00 0.00 H new ATOM 0 HA ILE A 35 4.273 2.281 -3.458 1.00 0.00 H new ATOM 0 HB ILE A 35 4.580 -0.141 -5.267 1.00 0.00 H new ATOM 0 HG12 ILE A 35 2.225 1.756 -4.962 1.00 0.00 H new ATOM 0 HG13 ILE A 35 3.265 1.643 -6.368 1.00 0.00 H new ATOM 0 HG21 ILE A 35 2.782 -1.071 -3.860 1.00 0.00 H new ATOM 0 HG22 ILE A 35 4.226 -0.667 -2.901 1.00 0.00 H new ATOM 0 HG23 ILE A 35 2.804 0.403 -2.863 1.00 0.00 H new ATOM 0 HD11 ILE A 35 1.167 0.436 -6.732 1.00 0.00 H new ATOM 0 HD12 ILE A 35 2.543 -0.692 -6.732 1.00 0.00 H new ATOM 0 HD13 ILE A 35 1.487 -0.577 -5.305 1.00 0.00 H new ATOM 531 N GLN A 36 6.212 1.376 -2.179 1.00 0.00 N ATOM 532 CA GLN A 36 7.355 0.887 -1.414 1.00 0.00 C ATOM 533 C GLN A 36 6.910 0.004 -0.254 1.00 0.00 C ATOM 534 O GLN A 36 6.084 0.408 0.566 1.00 0.00 O ATOM 535 CB GLN A 36 8.181 2.061 -0.888 1.00 0.00 C ATOM 536 CG GLN A 36 9.087 2.684 -1.937 1.00 0.00 C ATOM 537 CD GLN A 36 9.252 4.180 -1.757 1.00 0.00 C ATOM 538 OE1 GLN A 36 9.152 4.699 -0.645 1.00 0.00 O ATOM 539 NE2 GLN A 36 9.506 4.883 -2.855 1.00 0.00 N ATOM 0 H GLN A 36 5.542 1.921 -1.637 1.00 0.00 H new ATOM 0 HA GLN A 36 7.970 0.285 -2.082 1.00 0.00 H new ATOM 0 HB2 GLN A 36 7.506 2.825 -0.502 1.00 0.00 H new ATOM 0 HB3 GLN A 36 8.789 1.720 -0.050 1.00 0.00 H new ATOM 0 HG2 GLN A 36 10.066 2.207 -1.894 1.00 0.00 H new ATOM 0 HG3 GLN A 36 8.679 2.485 -2.928 1.00 0.00 H new ATOM 0 HE21 GLN A 36 9.581 4.412 -3.756 1.00 0.00 H new ATOM 0 HE22 GLN A 36 9.626 5.894 -2.797 1.00 0.00 H new ATOM 548 N ILE A 37 7.469 -1.200 -0.188 1.00 0.00 N ATOM 549 CA ILE A 37 7.140 -2.140 0.878 1.00 0.00 C ATOM 550 C ILE A 37 8.341 -2.336 1.802 1.00 0.00 C ATOM 551 O ILE A 37 9.328 -2.960 1.416 1.00 0.00 O ATOM 552 CB ILE A 37 6.721 -3.512 0.308 1.00 0.00 C ATOM 553 CG1 ILE A 37 5.694 -3.345 -0.821 1.00 0.00 C ATOM 554 CG2 ILE A 37 6.161 -4.395 1.415 1.00 0.00 C ATOM 555 CD1 ILE A 37 6.056 -4.093 -2.086 1.00 0.00 C ATOM 0 H ILE A 37 8.152 -1.548 -0.860 1.00 0.00 H new ATOM 0 HA ILE A 37 6.304 -1.719 1.437 1.00 0.00 H new ATOM 0 HB ILE A 37 7.605 -3.995 -0.109 1.00 0.00 H new ATOM 0 HG12 ILE A 37 4.722 -3.691 -0.470 1.00 0.00 H new ATOM 0 HG13 ILE A 37 5.591 -2.285 -1.053 1.00 0.00 H new ATOM 0 HG21 ILE A 37 5.870 -5.359 0.999 1.00 0.00 H new ATOM 0 HG22 ILE A 37 6.922 -4.545 2.181 1.00 0.00 H new ATOM 0 HG23 ILE A 37 5.290 -3.913 1.859 1.00 0.00 H new ATOM 0 HD11 ILE A 37 5.285 -3.929 -2.839 1.00 0.00 H new ATOM 0 HD12 ILE A 37 7.013 -3.731 -2.461 1.00 0.00 H new ATOM 0 HD13 ILE A 37 6.131 -5.159 -1.870 1.00 0.00 H new ATOM 567 N PRO A 38 8.285 -1.799 3.035 1.00 0.00 N ATOM 568 CA PRO A 38 9.386 -1.917 3.996 1.00 0.00 C ATOM 569 C PRO A 38 9.896 -3.340 4.149 1.00 0.00 C ATOM 570 O PRO A 38 9.136 -4.266 4.432 1.00 0.00 O ATOM 571 CB PRO A 38 8.763 -1.426 5.297 1.00 0.00 C ATOM 572 CG PRO A 38 7.770 -0.429 4.841 1.00 0.00 C ATOM 573 CD PRO A 38 7.165 -1.018 3.596 1.00 0.00 C ATOM 0 HA PRO A 38 10.261 -1.350 3.678 1.00 0.00 H new ATOM 0 HB2 PRO A 38 8.293 -2.239 5.850 1.00 0.00 H new ATOM 0 HB3 PRO A 38 9.507 -0.980 5.957 1.00 0.00 H new ATOM 0 HG2 PRO A 38 7.011 -0.252 5.603 1.00 0.00 H new ATOM 0 HG3 PRO A 38 8.242 0.531 4.633 1.00 0.00 H new ATOM 0 HD2 PRO A 38 6.304 -1.648 3.822 1.00 0.00 H new ATOM 0 HD3 PRO A 38 6.823 -0.246 2.907 1.00 0.00 H new ATOM 581 N LEU A 39 11.194 -3.492 3.960 1.00 0.00 N ATOM 582 CA LEU A 39 11.850 -4.791 4.071 1.00 0.00 C ATOM 583 C LEU A 39 13.107 -4.684 4.928 1.00 0.00 C ATOM 584 O LEU A 39 13.501 -3.592 5.335 1.00 0.00 O ATOM 585 CB LEU A 39 12.215 -5.327 2.683 1.00 0.00 C ATOM 586 CG LEU A 39 11.026 -5.752 1.810 1.00 0.00 C ATOM 587 CD1 LEU A 39 11.176 -5.217 0.388 1.00 0.00 C ATOM 588 CD2 LEU A 39 10.885 -7.270 1.794 1.00 0.00 C ATOM 0 H LEU A 39 11.825 -2.725 3.726 1.00 0.00 H new ATOM 0 HA LEU A 39 11.155 -5.483 4.547 1.00 0.00 H new ATOM 0 HB2 LEU A 39 12.778 -4.560 2.152 1.00 0.00 H new ATOM 0 HB3 LEU A 39 12.879 -6.183 2.805 1.00 0.00 H new ATOM 0 HG LEU A 39 10.121 -5.325 2.243 1.00 0.00 H new ATOM 0 HD11 LEU A 39 10.321 -5.531 -0.211 1.00 0.00 H new ATOM 0 HD12 LEU A 39 11.222 -4.128 0.412 1.00 0.00 H new ATOM 0 HD13 LEU A 39 12.092 -5.609 -0.053 1.00 0.00 H new ATOM 0 HD21 LEU A 39 10.037 -7.550 1.170 1.00 0.00 H new ATOM 0 HD22 LEU A 39 11.795 -7.716 1.391 1.00 0.00 H new ATOM 0 HD23 LEU A 39 10.723 -7.631 2.810 1.00 0.00 H new ATOM 600 N ASP A 40 13.738 -5.823 5.193 1.00 0.00 N ATOM 601 CA ASP A 40 14.955 -5.851 5.995 1.00 0.00 C ATOM 602 C ASP A 40 16.184 -5.693 5.107 1.00 0.00 C ATOM 603 O ASP A 40 16.100 -5.827 3.888 1.00 0.00 O ATOM 604 CB ASP A 40 15.040 -7.159 6.783 1.00 0.00 C ATOM 605 CG ASP A 40 14.341 -7.072 8.126 1.00 0.00 C ATOM 606 OD1 ASP A 40 14.754 -6.235 8.956 1.00 0.00 O ATOM 607 OD2 ASP A 40 13.382 -7.841 8.348 1.00 0.00 O ATOM 0 H ASP A 40 13.427 -6.737 4.865 1.00 0.00 H new ATOM 0 HA ASP A 40 14.924 -5.018 6.697 1.00 0.00 H new ATOM 0 HB2 ASP A 40 14.595 -7.963 6.196 1.00 0.00 H new ATOM 0 HB3 ASP A 40 16.087 -7.419 6.938 1.00 0.00 H new ATOM 612 N TYR A 41 17.325 -5.399 5.718 1.00 0.00 N ATOM 613 CA TYR A 41 18.563 -5.223 4.967 1.00 0.00 C ATOM 614 C TYR A 41 19.394 -6.502 4.975 1.00 0.00 C ATOM 615 O TYR A 41 20.206 -6.729 4.077 1.00 0.00 O ATOM 616 CB TYR A 41 19.377 -4.058 5.539 1.00 0.00 C ATOM 617 CG TYR A 41 19.739 -4.218 6.998 1.00 0.00 C ATOM 618 CD1 TYR A 41 18.834 -3.887 7.998 1.00 0.00 C ATOM 619 CD2 TYR A 41 20.988 -4.696 7.374 1.00 0.00 C ATOM 620 CE1 TYR A 41 19.162 -4.028 9.332 1.00 0.00 C ATOM 621 CE2 TYR A 41 21.323 -4.840 8.708 1.00 0.00 C ATOM 622 CZ TYR A 41 20.408 -4.504 9.681 1.00 0.00 C ATOM 623 OH TYR A 41 20.738 -4.645 11.010 1.00 0.00 O ATOM 0 H TYR A 41 17.420 -5.278 6.726 1.00 0.00 H new ATOM 0 HA TYR A 41 18.300 -4.993 3.934 1.00 0.00 H new ATOM 0 HB2 TYR A 41 20.293 -3.948 4.958 1.00 0.00 H new ATOM 0 HB3 TYR A 41 18.809 -3.136 5.415 1.00 0.00 H new ATOM 0 HD1 TYR A 41 17.857 -3.513 7.728 1.00 0.00 H new ATOM 0 HD2 TYR A 41 21.708 -4.959 6.613 1.00 0.00 H new ATOM 0 HE1 TYR A 41 18.446 -3.767 10.098 1.00 0.00 H new ATOM 0 HE2 TYR A 41 22.297 -5.214 8.985 1.00 0.00 H new ATOM 0 HH TYR A 41 21.651 -4.993 11.085 1.00 0.00 H new ATOM 633 N GLU A 42 19.183 -7.339 5.987 1.00 0.00 N ATOM 634 CA GLU A 42 19.912 -8.597 6.103 1.00 0.00 C ATOM 635 C GLU A 42 19.060 -9.770 5.629 1.00 0.00 C ATOM 636 O GLU A 42 19.582 -10.771 5.141 1.00 0.00 O ATOM 637 CB GLU A 42 20.346 -8.827 7.552 1.00 0.00 C ATOM 638 CG GLU A 42 21.310 -9.990 7.721 1.00 0.00 C ATOM 639 CD GLU A 42 22.433 -9.683 8.692 1.00 0.00 C ATOM 640 OE1 GLU A 42 22.175 -8.987 9.695 1.00 0.00 O ATOM 641 OE2 GLU A 42 23.571 -10.138 8.448 1.00 0.00 O ATOM 0 H GLU A 42 18.514 -7.169 6.738 1.00 0.00 H new ATOM 0 HA GLU A 42 20.796 -8.532 5.468 1.00 0.00 H new ATOM 0 HB2 GLU A 42 20.815 -7.919 7.930 1.00 0.00 H new ATOM 0 HB3 GLU A 42 19.462 -9.007 8.163 1.00 0.00 H new ATOM 0 HG2 GLU A 42 20.761 -10.864 8.072 1.00 0.00 H new ATOM 0 HG3 GLU A 42 21.735 -10.249 6.751 1.00 0.00 H new ATOM 648 N THR A 43 17.744 -9.643 5.784 1.00 0.00 N ATOM 649 CA THR A 43 16.822 -10.699 5.376 1.00 0.00 C ATOM 650 C THR A 43 15.965 -10.258 4.192 1.00 0.00 C ATOM 651 O THR A 43 15.580 -11.077 3.357 1.00 0.00 O ATOM 652 CB THR A 43 15.931 -11.102 6.552 1.00 0.00 C ATOM 653 OG1 THR A 43 15.136 -10.011 6.981 1.00 0.00 O ATOM 654 CG2 THR A 43 16.711 -11.602 7.752 1.00 0.00 C ATOM 0 H THR A 43 17.294 -8.822 6.188 1.00 0.00 H new ATOM 0 HA THR A 43 17.412 -11.560 5.062 1.00 0.00 H new ATOM 0 HB THR A 43 15.311 -11.916 6.176 1.00 0.00 H new ATOM 0 HG1 THR A 43 14.573 -10.292 7.733 1.00 0.00 H new ATOM 0 HG21 THR A 43 16.019 -11.871 8.550 1.00 0.00 H new ATOM 0 HG22 THR A 43 17.294 -12.478 7.468 1.00 0.00 H new ATOM 0 HG23 THR A 43 17.382 -10.818 8.103 1.00 0.00 H new ATOM 662 N GLU A 44 15.672 -8.963 4.122 1.00 0.00 N ATOM 663 CA GLU A 44 14.862 -8.420 3.035 1.00 0.00 C ATOM 664 C GLU A 44 13.500 -9.101 2.968 1.00 0.00 C ATOM 665 O GLU A 44 12.971 -9.349 1.884 1.00 0.00 O ATOM 666 CB GLU A 44 15.592 -8.578 1.699 1.00 0.00 C ATOM 667 CG GLU A 44 17.049 -8.141 1.747 1.00 0.00 C ATOM 668 CD GLU A 44 17.373 -7.064 0.728 1.00 0.00 C ATOM 669 OE1 GLU A 44 16.630 -6.062 0.670 1.00 0.00 O ATOM 670 OE2 GLU A 44 18.367 -7.224 -0.009 1.00 0.00 O ATOM 0 H GLU A 44 15.982 -8.271 4.804 1.00 0.00 H new ATOM 0 HA GLU A 44 14.703 -7.360 3.233 1.00 0.00 H new ATOM 0 HB2 GLU A 44 15.544 -9.622 1.389 1.00 0.00 H new ATOM 0 HB3 GLU A 44 15.071 -7.996 0.939 1.00 0.00 H new ATOM 0 HG2 GLU A 44 17.280 -7.771 2.746 1.00 0.00 H new ATOM 0 HG3 GLU A 44 17.689 -9.006 1.571 1.00 0.00 H new ATOM 677 N LYS A 45 12.938 -9.402 4.133 1.00 0.00 N ATOM 678 CA LYS A 45 11.635 -10.056 4.208 1.00 0.00 C ATOM 679 C LYS A 45 10.595 -9.133 4.840 1.00 0.00 C ATOM 680 O LYS A 45 10.691 -8.791 6.018 1.00 0.00 O ATOM 681 CB LYS A 45 11.739 -11.352 5.016 1.00 0.00 C ATOM 682 CG LYS A 45 12.533 -12.445 4.318 1.00 0.00 C ATOM 683 CD LYS A 45 13.138 -13.423 5.316 1.00 0.00 C ATOM 684 CE LYS A 45 12.868 -14.866 4.925 1.00 0.00 C ATOM 685 NZ LYS A 45 13.846 -15.360 3.916 1.00 0.00 N ATOM 0 H LYS A 45 13.363 -9.204 5.039 1.00 0.00 H new ATOM 0 HA LYS A 45 11.316 -10.291 3.192 1.00 0.00 H new ATOM 0 HB2 LYS A 45 12.205 -11.134 5.977 1.00 0.00 H new ATOM 0 HB3 LYS A 45 10.735 -11.721 5.225 1.00 0.00 H new ATOM 0 HG2 LYS A 45 11.883 -12.984 3.628 1.00 0.00 H new ATOM 0 HG3 LYS A 45 13.327 -11.995 3.722 1.00 0.00 H new ATOM 0 HD2 LYS A 45 14.214 -13.259 5.380 1.00 0.00 H new ATOM 0 HD3 LYS A 45 12.727 -13.232 6.307 1.00 0.00 H new ATOM 0 HE2 LYS A 45 12.912 -15.497 5.813 1.00 0.00 H new ATOM 0 HE3 LYS A 45 11.858 -14.951 4.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 13.628 -16.348 3.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 13.787 -14.774 3.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 14.808 -15.303 4.308 1.00 0.00 H new ATOM 699 N HIS A 46 9.600 -8.737 4.050 1.00 0.00 N ATOM 700 CA HIS A 46 8.540 -7.859 4.539 1.00 0.00 C ATOM 701 C HIS A 46 7.628 -8.598 5.506 1.00 0.00 C ATOM 702 O HIS A 46 7.822 -9.782 5.781 1.00 0.00 O ATOM 703 CB HIS A 46 7.721 -7.299 3.371 1.00 0.00 C ATOM 704 CG HIS A 46 7.192 -8.347 2.439 1.00 0.00 C ATOM 705 ND1 HIS A 46 6.410 -9.404 2.854 1.00 0.00 N ATOM 706 CD2 HIS A 46 7.322 -8.481 1.099 1.00 0.00 C ATOM 707 CE1 HIS A 46 6.084 -10.144 1.809 1.00 0.00 C ATOM 708 NE2 HIS A 46 6.624 -9.606 0.733 1.00 0.00 N ATOM 0 H HIS A 46 9.505 -9.009 3.072 1.00 0.00 H new ATOM 0 HA HIS A 46 9.009 -7.030 5.069 1.00 0.00 H new ATOM 0 HB2 HIS A 46 6.884 -6.726 3.770 1.00 0.00 H new ATOM 0 HB3 HIS A 46 8.342 -6.604 2.805 1.00 0.00 H new ATOM 0 HD2 HIS A 46 7.872 -7.826 0.440 1.00 0.00 H new ATOM 0 HE1 HIS A 46 5.478 -11.038 1.832 1.00 0.00 H new ATOM 0 HE2 HIS A 46 6.537 -9.967 -0.217 1.00 0.00 H new ATOM 717 N ARG A 47 6.623 -7.894 6.011 1.00 0.00 N ATOM 718 CA ARG A 47 5.665 -8.477 6.940 1.00 0.00 C ATOM 719 C ARG A 47 4.284 -8.514 6.302 1.00 0.00 C ATOM 720 O ARG A 47 3.719 -9.581 6.069 1.00 0.00 O ATOM 721 CB ARG A 47 5.625 -7.672 8.241 1.00 0.00 C ATOM 722 CG ARG A 47 6.251 -8.395 9.424 1.00 0.00 C ATOM 723 CD ARG A 47 5.234 -8.656 10.526 1.00 0.00 C ATOM 724 NE ARG A 47 4.994 -7.469 11.339 1.00 0.00 N ATOM 725 CZ ARG A 47 5.832 -7.030 12.275 1.00 0.00 C ATOM 726 NH1 ARG A 47 6.964 -7.678 12.520 1.00 0.00 N ATOM 727 NH2 ARG A 47 5.537 -5.937 12.967 1.00 0.00 N ATOM 0 H ARG A 47 6.450 -6.913 5.791 1.00 0.00 H new ATOM 0 HA ARG A 47 5.976 -9.495 7.174 1.00 0.00 H new ATOM 0 HB2 ARG A 47 6.143 -6.725 8.089 1.00 0.00 H new ATOM 0 HB3 ARG A 47 4.588 -7.433 8.479 1.00 0.00 H new ATOM 0 HG2 ARG A 47 6.676 -9.341 9.089 1.00 0.00 H new ATOM 0 HG3 ARG A 47 7.073 -7.800 9.821 1.00 0.00 H new ATOM 0 HD2 ARG A 47 4.295 -8.988 10.082 1.00 0.00 H new ATOM 0 HD3 ARG A 47 5.589 -9.466 11.163 1.00 0.00 H new ATOM 0 HE ARG A 47 4.133 -6.945 11.181 1.00 0.00 H new ATOM 0 HH11 ARG A 47 7.196 -8.518 11.990 1.00 0.00 H new ATOM 0 HH12 ARG A 47 7.602 -7.336 13.239 1.00 0.00 H new ATOM 0 HH21 ARG A 47 4.669 -5.435 12.781 1.00 0.00 H new ATOM 0 HH22 ARG A 47 6.178 -5.599 13.685 1.00 0.00 H new ATOM 741 N GLY A 48 3.754 -7.333 6.019 1.00 0.00 N ATOM 742 CA GLY A 48 2.451 -7.235 5.404 1.00 0.00 C ATOM 743 C GLY A 48 1.959 -5.810 5.324 1.00 0.00 C ATOM 744 O GLY A 48 0.773 -5.554 5.519 1.00 0.00 O ATOM 0 H GLY A 48 4.207 -6.439 6.206 1.00 0.00 H new ATOM 0 HA2 GLY A 48 2.493 -7.659 4.401 1.00 0.00 H new ATOM 0 HA3 GLY A 48 1.738 -7.832 5.973 1.00 0.00 H new ATOM 748 N PHE A 49 2.861 -4.875 5.044 1.00 0.00 N ATOM 749 CA PHE A 49 2.481 -3.474 4.955 1.00 0.00 C ATOM 750 C PHE A 49 3.278 -2.755 3.877 1.00 0.00 C ATOM 751 O PHE A 49 4.410 -3.129 3.572 1.00 0.00 O ATOM 752 CB PHE A 49 2.690 -2.808 6.310 1.00 0.00 C ATOM 753 CG PHE A 49 2.195 -3.653 7.446 1.00 0.00 C ATOM 754 CD1 PHE A 49 0.882 -4.082 7.474 1.00 0.00 C ATOM 755 CD2 PHE A 49 3.045 -4.043 8.465 1.00 0.00 C ATOM 756 CE1 PHE A 49 0.419 -4.884 8.493 1.00 0.00 C ATOM 757 CE2 PHE A 49 2.589 -4.843 9.495 1.00 0.00 C ATOM 758 CZ PHE A 49 1.274 -5.267 9.509 1.00 0.00 C ATOM 0 H PHE A 49 3.850 -5.061 4.877 1.00 0.00 H new ATOM 0 HA PHE A 49 1.428 -3.413 4.679 1.00 0.00 H new ATOM 0 HB2 PHE A 49 3.751 -2.601 6.450 1.00 0.00 H new ATOM 0 HB3 PHE A 49 2.174 -1.848 6.323 1.00 0.00 H new ATOM 0 HD1 PHE A 49 0.208 -3.784 6.684 1.00 0.00 H new ATOM 0 HD2 PHE A 49 4.075 -3.719 8.455 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -0.610 -5.213 8.498 1.00 0.00 H new ATOM 0 HE2 PHE A 49 3.260 -5.137 10.289 1.00 0.00 H new ATOM 0 HZ PHE A 49 0.916 -5.895 10.311 1.00 0.00 H new ATOM 768 N ALA A 50 2.674 -1.723 3.296 1.00 0.00 N ATOM 769 CA ALA A 50 3.336 -0.963 2.243 1.00 0.00 C ATOM 770 C ALA A 50 2.716 0.414 2.058 1.00 0.00 C ATOM 771 O ALA A 50 1.745 0.772 2.725 1.00 0.00 O ATOM 772 CB ALA A 50 3.292 -1.744 0.943 1.00 0.00 C ATOM 0 H ALA A 50 1.737 -1.397 3.534 1.00 0.00 H new ATOM 0 HA ALA A 50 4.373 -0.810 2.541 1.00 0.00 H new ATOM 0 HB1 ALA A 50 3.788 -1.173 0.158 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.802 -2.698 1.074 1.00 0.00 H new ATOM 0 HB3 ALA A 50 2.254 -1.923 0.661 1.00 0.00 H new ATOM 778 N PHE A 51 3.288 1.184 1.133 1.00 0.00 N ATOM 779 CA PHE A 51 2.802 2.527 0.840 1.00 0.00 C ATOM 780 C PHE A 51 2.423 2.660 -0.632 1.00 0.00 C ATOM 781 O PHE A 51 3.162 2.222 -1.514 1.00 0.00 O ATOM 782 CB PHE A 51 3.867 3.569 1.188 1.00 0.00 C ATOM 783 CG PHE A 51 4.283 3.558 2.630 1.00 0.00 C ATOM 784 CD1 PHE A 51 4.959 2.473 3.162 1.00 0.00 C ATOM 785 CD2 PHE A 51 3.997 4.635 3.454 1.00 0.00 C ATOM 786 CE1 PHE A 51 5.346 2.461 4.489 1.00 0.00 C ATOM 787 CE2 PHE A 51 4.380 4.630 4.781 1.00 0.00 C ATOM 788 CZ PHE A 51 5.055 3.542 5.299 1.00 0.00 C ATOM 0 H PHE A 51 4.091 0.897 0.573 1.00 0.00 H new ATOM 0 HA PHE A 51 1.915 2.701 1.449 1.00 0.00 H new ATOM 0 HB2 PHE A 51 4.745 3.398 0.566 1.00 0.00 H new ATOM 0 HB3 PHE A 51 3.487 4.559 0.938 1.00 0.00 H new ATOM 0 HD1 PHE A 51 5.187 1.626 2.532 1.00 0.00 H new ATOM 0 HD2 PHE A 51 3.469 5.488 3.054 1.00 0.00 H new ATOM 0 HE1 PHE A 51 5.874 1.609 4.891 1.00 0.00 H new ATOM 0 HE2 PHE A 51 4.152 5.476 5.413 1.00 0.00 H new ATOM 0 HZ PHE A 51 5.355 3.536 6.336 1.00 0.00 H new ATOM 798 N VAL A 52 1.273 3.271 -0.891 1.00 0.00 N ATOM 799 CA VAL A 52 0.801 3.471 -2.257 1.00 0.00 C ATOM 800 C VAL A 52 0.835 4.952 -2.625 1.00 0.00 C ATOM 801 O VAL A 52 0.323 5.795 -1.886 1.00 0.00 O ATOM 802 CB VAL A 52 -0.633 2.926 -2.443 1.00 0.00 C ATOM 803 CG1 VAL A 52 -0.981 2.823 -3.920 1.00 0.00 C ATOM 804 CG2 VAL A 52 -0.781 1.574 -1.759 1.00 0.00 C ATOM 0 H VAL A 52 0.649 3.637 -0.172 1.00 0.00 H new ATOM 0 HA VAL A 52 1.470 2.919 -2.917 1.00 0.00 H new ATOM 0 HB VAL A 52 -1.330 3.624 -1.978 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -1.995 2.437 -4.029 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -0.917 3.810 -4.379 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -0.281 2.148 -4.413 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -1.797 1.204 -1.900 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -0.074 0.867 -2.194 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -0.578 1.681 -0.693 1.00 0.00 H new ATOM 814 N GLU A 53 1.447 5.268 -3.766 1.00 0.00 N ATOM 815 CA GLU A 53 1.552 6.646 -4.222 1.00 0.00 C ATOM 816 C GLU A 53 0.725 6.821 -5.484 1.00 0.00 C ATOM 817 O GLU A 53 0.775 5.990 -6.384 1.00 0.00 O ATOM 818 CB GLU A 53 3.023 7.006 -4.470 1.00 0.00 C ATOM 819 CG GLU A 53 3.236 8.244 -5.330 1.00 0.00 C ATOM 820 CD GLU A 53 4.106 9.287 -4.656 1.00 0.00 C ATOM 821 OE1 GLU A 53 5.225 8.939 -4.225 1.00 0.00 O ATOM 822 OE2 GLU A 53 3.667 10.453 -4.558 1.00 0.00 O ATOM 0 H GLU A 53 1.877 4.585 -4.389 1.00 0.00 H new ATOM 0 HA GLU A 53 1.166 7.319 -3.456 1.00 0.00 H new ATOM 0 HB2 GLU A 53 3.513 7.159 -3.508 1.00 0.00 H new ATOM 0 HB3 GLU A 53 3.515 6.159 -4.948 1.00 0.00 H new ATOM 0 HG2 GLU A 53 3.695 7.950 -6.274 1.00 0.00 H new ATOM 0 HG3 GLU A 53 2.268 8.685 -5.570 1.00 0.00 H new ATOM 829 N PHE A 54 -0.050 7.892 -5.539 1.00 0.00 N ATOM 830 CA PHE A 54 -0.900 8.149 -6.682 1.00 0.00 C ATOM 831 C PHE A 54 -0.391 9.319 -7.501 1.00 0.00 C ATOM 832 O PHE A 54 0.380 10.151 -7.021 1.00 0.00 O ATOM 833 CB PHE A 54 -2.326 8.407 -6.215 1.00 0.00 C ATOM 834 CG PHE A 54 -3.008 7.169 -5.715 1.00 0.00 C ATOM 835 CD1 PHE A 54 -2.560 6.527 -4.571 1.00 0.00 C ATOM 836 CD2 PHE A 54 -4.090 6.643 -6.393 1.00 0.00 C ATOM 837 CE1 PHE A 54 -3.183 5.380 -4.116 1.00 0.00 C ATOM 838 CE2 PHE A 54 -4.717 5.496 -5.946 1.00 0.00 C ATOM 839 CZ PHE A 54 -4.263 4.864 -4.806 1.00 0.00 C ATOM 0 H PHE A 54 -0.106 8.596 -4.803 1.00 0.00 H new ATOM 0 HA PHE A 54 -0.884 7.268 -7.324 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -2.314 9.155 -5.422 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -2.903 8.826 -7.039 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -1.715 6.927 -4.030 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -4.451 7.135 -7.284 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -2.826 4.888 -3.223 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -5.561 5.095 -6.488 1.00 0.00 H new ATOM 0 HZ PHE A 54 -4.751 3.967 -4.454 1.00 0.00 H new ATOM 849 N GLU A 55 -0.844 9.379 -8.742 1.00 0.00 N ATOM 850 CA GLU A 55 -0.459 10.449 -9.644 1.00 0.00 C ATOM 851 C GLU A 55 -1.248 11.702 -9.304 1.00 0.00 C ATOM 852 O GLU A 55 -0.779 12.824 -9.485 1.00 0.00 O ATOM 853 CB GLU A 55 -0.706 10.037 -11.098 1.00 0.00 C ATOM 854 CG GLU A 55 0.373 10.521 -12.055 1.00 0.00 C ATOM 855 CD GLU A 55 0.749 9.478 -13.091 1.00 0.00 C ATOM 856 OE1 GLU A 55 -0.153 8.756 -13.563 1.00 0.00 O ATOM 857 OE2 GLU A 55 1.948 9.387 -13.431 1.00 0.00 O ATOM 0 H GLU A 55 -1.482 8.695 -9.149 1.00 0.00 H new ATOM 0 HA GLU A 55 0.605 10.653 -9.527 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -0.770 8.950 -11.154 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -1.670 10.430 -11.420 1.00 0.00 H new ATOM 0 HG2 GLU A 55 0.026 11.422 -12.562 1.00 0.00 H new ATOM 0 HG3 GLU A 55 1.260 10.798 -11.486 1.00 0.00 H new ATOM 864 N LEU A 56 -2.462 11.485 -8.810 1.00 0.00 N ATOM 865 CA LEU A 56 -3.353 12.574 -8.436 1.00 0.00 C ATOM 866 C LEU A 56 -3.702 12.501 -6.951 1.00 0.00 C ATOM 867 O LEU A 56 -4.074 11.444 -6.443 1.00 0.00 O ATOM 868 CB LEU A 56 -4.624 12.503 -9.276 1.00 0.00 C ATOM 869 CG LEU A 56 -4.416 12.664 -10.781 1.00 0.00 C ATOM 870 CD1 LEU A 56 -5.710 12.377 -11.526 1.00 0.00 C ATOM 871 CD2 LEU A 56 -3.908 14.060 -11.104 1.00 0.00 C ATOM 0 H LEU A 56 -2.853 10.555 -8.659 1.00 0.00 H new ATOM 0 HA LEU A 56 -2.847 13.521 -8.621 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -5.109 11.544 -9.092 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -5.310 13.278 -8.935 1.00 0.00 H new ATOM 0 HG LEU A 56 -3.664 11.945 -11.106 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -5.547 12.496 -12.597 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -6.031 11.356 -11.318 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -6.481 13.073 -11.197 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -3.766 14.155 -12.180 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -4.635 14.799 -10.767 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -2.958 14.228 -10.596 1.00 0.00 H new ATOM 883 N ALA A 57 -3.571 13.629 -6.259 1.00 0.00 N ATOM 884 CA ALA A 57 -3.865 13.689 -4.832 1.00 0.00 C ATOM 885 C ALA A 57 -5.312 13.298 -4.544 1.00 0.00 C ATOM 886 O ALA A 57 -5.589 12.572 -3.589 1.00 0.00 O ATOM 887 CB ALA A 57 -3.568 15.081 -4.290 1.00 0.00 C ATOM 0 H ALA A 57 -3.263 14.513 -6.664 1.00 0.00 H new ATOM 0 HA ALA A 57 -3.222 12.970 -4.326 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -3.792 15.112 -3.224 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -2.515 15.315 -4.447 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -4.184 15.814 -4.811 1.00 0.00 H new ATOM 893 N GLU A 58 -6.232 13.783 -5.371 1.00 0.00 N ATOM 894 CA GLU A 58 -7.649 13.478 -5.195 1.00 0.00 C ATOM 895 C GLU A 58 -7.907 11.990 -5.389 1.00 0.00 C ATOM 896 O GLU A 58 -8.792 11.413 -4.756 1.00 0.00 O ATOM 897 CB GLU A 58 -8.492 14.287 -6.181 1.00 0.00 C ATOM 898 CG GLU A 58 -8.180 15.774 -6.170 1.00 0.00 C ATOM 899 CD GLU A 58 -8.247 16.396 -7.551 1.00 0.00 C ATOM 900 OE1 GLU A 58 -7.223 16.371 -8.264 1.00 0.00 O ATOM 901 OE2 GLU A 58 -9.326 16.906 -7.920 1.00 0.00 O ATOM 0 H GLU A 58 -6.024 14.386 -6.167 1.00 0.00 H new ATOM 0 HA GLU A 58 -7.933 13.750 -4.179 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -8.333 13.898 -7.187 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -9.547 14.144 -5.947 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -8.884 16.284 -5.512 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -7.185 15.929 -5.754 1.00 0.00 H new ATOM 908 N ASP A 59 -7.123 11.374 -6.265 1.00 0.00 N ATOM 909 CA ASP A 59 -7.255 9.951 -6.545 1.00 0.00 C ATOM 910 C ASP A 59 -6.920 9.129 -5.309 1.00 0.00 C ATOM 911 O ASP A 59 -7.554 8.110 -5.034 1.00 0.00 O ATOM 912 CB ASP A 59 -6.331 9.553 -7.698 1.00 0.00 C ATOM 913 CG ASP A 59 -7.082 9.291 -8.991 1.00 0.00 C ATOM 914 OD1 ASP A 59 -8.330 9.213 -8.950 1.00 0.00 O ATOM 915 OD2 ASP A 59 -6.424 9.160 -10.042 1.00 0.00 O ATOM 0 H ASP A 59 -6.387 11.840 -6.795 1.00 0.00 H new ATOM 0 HA ASP A 59 -8.288 9.751 -6.829 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -5.600 10.345 -7.862 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -5.774 8.658 -7.419 1.00 0.00 H new ATOM 920 N ALA A 60 -5.914 9.576 -4.566 1.00 0.00 N ATOM 921 CA ALA A 60 -5.493 8.882 -3.361 1.00 0.00 C ATOM 922 C ALA A 60 -6.639 8.795 -2.362 1.00 0.00 C ATOM 923 O ALA A 60 -6.897 7.737 -1.792 1.00 0.00 O ATOM 924 CB ALA A 60 -4.291 9.581 -2.741 1.00 0.00 C ATOM 0 H ALA A 60 -5.377 10.416 -4.779 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.201 7.867 -3.631 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.987 9.050 -1.839 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -3.466 9.588 -3.454 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -4.558 10.606 -2.486 1.00 0.00 H new ATOM 930 N ALA A 61 -7.335 9.911 -2.170 1.00 0.00 N ATOM 931 CA ALA A 61 -8.466 9.958 -1.250 1.00 0.00 C ATOM 932 C ALA A 61 -9.464 8.857 -1.578 1.00 0.00 C ATOM 933 O ALA A 61 -10.106 8.296 -0.690 1.00 0.00 O ATOM 934 CB ALA A 61 -9.142 11.318 -1.306 1.00 0.00 C ATOM 0 H ALA A 61 -7.136 10.795 -2.639 1.00 0.00 H new ATOM 0 HA ALA A 61 -8.093 9.799 -0.238 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -9.983 11.335 -0.613 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -8.427 12.092 -1.027 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -9.501 11.504 -2.318 1.00 0.00 H new ATOM 940 N ALA A 62 -9.583 8.546 -2.861 1.00 0.00 N ATOM 941 CA ALA A 62 -10.494 7.502 -3.300 1.00 0.00 C ATOM 942 C ALA A 62 -10.008 6.149 -2.805 1.00 0.00 C ATOM 943 O ALA A 62 -10.784 5.366 -2.261 1.00 0.00 O ATOM 944 CB ALA A 62 -10.631 7.504 -4.815 1.00 0.00 C ATOM 0 H ALA A 62 -9.063 9.000 -3.612 1.00 0.00 H new ATOM 0 HA ALA A 62 -11.479 7.698 -2.876 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -11.318 6.714 -5.119 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -11.018 8.468 -5.144 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -9.655 7.331 -5.269 1.00 0.00 H new ATOM 950 N ALA A 63 -8.709 5.897 -2.955 1.00 0.00 N ATOM 951 CA ALA A 63 -8.118 4.655 -2.477 1.00 0.00 C ATOM 952 C ALA A 63 -8.249 4.601 -0.965 1.00 0.00 C ATOM 953 O ALA A 63 -8.463 3.545 -0.372 1.00 0.00 O ATOM 954 CB ALA A 63 -6.660 4.559 -2.906 1.00 0.00 C ATOM 0 H ALA A 63 -8.051 6.535 -3.402 1.00 0.00 H new ATOM 0 HA ALA A 63 -8.643 3.804 -2.912 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -6.234 3.625 -2.540 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -6.598 4.585 -3.994 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -6.103 5.399 -2.491 1.00 0.00 H new ATOM 960 N ILE A 64 -8.143 5.777 -0.361 1.00 0.00 N ATOM 961 CA ILE A 64 -8.269 5.936 1.073 1.00 0.00 C ATOM 962 C ILE A 64 -9.683 5.594 1.524 1.00 0.00 C ATOM 963 O ILE A 64 -9.880 4.800 2.434 1.00 0.00 O ATOM 964 CB ILE A 64 -7.964 7.394 1.470 1.00 0.00 C ATOM 965 CG1 ILE A 64 -6.502 7.737 1.183 1.00 0.00 C ATOM 966 CG2 ILE A 64 -8.290 7.654 2.942 1.00 0.00 C ATOM 967 CD1 ILE A 64 -6.186 9.211 1.326 1.00 0.00 C ATOM 0 H ILE A 64 -7.966 6.649 -0.859 1.00 0.00 H new ATOM 0 HA ILE A 64 -7.560 5.262 1.554 1.00 0.00 H new ATOM 0 HB ILE A 64 -8.602 8.039 0.866 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -5.865 7.170 1.861 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -6.254 7.417 0.171 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -8.063 8.691 3.187 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -9.348 7.462 3.120 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -7.691 6.993 3.569 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -5.132 9.380 1.108 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -6.797 9.784 0.628 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -6.401 9.532 2.345 1.00 0.00 H new ATOM 979 N ASP A 65 -10.663 6.219 0.885 1.00 0.00 N ATOM 980 CA ASP A 65 -12.064 6.003 1.226 1.00 0.00 C ATOM 981 C ASP A 65 -12.595 4.687 0.667 1.00 0.00 C ATOM 982 O ASP A 65 -13.673 4.234 1.054 1.00 0.00 O ATOM 983 CB ASP A 65 -12.911 7.169 0.713 1.00 0.00 C ATOM 984 CG ASP A 65 -12.970 8.315 1.703 1.00 0.00 C ATOM 985 OD1 ASP A 65 -12.035 9.143 1.710 1.00 0.00 O ATOM 986 OD2 ASP A 65 -13.952 8.385 2.473 1.00 0.00 O ATOM 0 H ASP A 65 -10.513 6.882 0.125 1.00 0.00 H new ATOM 0 HA ASP A 65 -12.133 5.948 2.312 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -12.499 7.527 -0.230 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -13.922 6.818 0.506 1.00 0.00 H new ATOM 991 N ASN A 66 -11.851 4.074 -0.249 1.00 0.00 N ATOM 992 CA ASN A 66 -12.288 2.811 -0.849 1.00 0.00 C ATOM 993 C ASN A 66 -11.609 1.607 -0.203 1.00 0.00 C ATOM 994 O ASN A 66 -12.257 0.606 0.100 1.00 0.00 O ATOM 995 CB ASN A 66 -12.010 2.798 -2.355 1.00 0.00 C ATOM 996 CG ASN A 66 -13.113 3.458 -3.156 1.00 0.00 C ATOM 997 OD1 ASN A 66 -13.819 4.335 -2.658 1.00 0.00 O ATOM 998 ND2 ASN A 66 -13.270 3.034 -4.405 1.00 0.00 N ATOM 0 H ASN A 66 -10.955 4.422 -0.590 1.00 0.00 H new ATOM 0 HA ASN A 66 -13.361 2.736 -0.674 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -11.068 3.309 -2.551 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -11.889 1.768 -2.690 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -13.999 3.438 -4.993 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -12.661 2.304 -4.776 1.00 0.00 H new ATOM 1005 N MET A 67 -10.298 1.697 -0.024 1.00 0.00 N ATOM 1006 CA MET A 67 -9.533 0.598 0.554 1.00 0.00 C ATOM 1007 C MET A 67 -9.646 0.550 2.077 1.00 0.00 C ATOM 1008 O MET A 67 -9.443 -0.501 2.684 1.00 0.00 O ATOM 1009 CB MET A 67 -8.071 0.706 0.131 1.00 0.00 C ATOM 1010 CG MET A 67 -7.442 -0.630 -0.216 1.00 0.00 C ATOM 1011 SD MET A 67 -8.023 -1.277 -1.794 1.00 0.00 S ATOM 1012 CE MET A 67 -7.310 -2.919 -1.773 1.00 0.00 C ATOM 0 H MET A 67 -9.743 2.517 -0.270 1.00 0.00 H new ATOM 0 HA MET A 67 -9.955 -0.333 0.175 1.00 0.00 H new ATOM 0 HB2 MET A 67 -7.998 1.368 -0.732 1.00 0.00 H new ATOM 0 HB3 MET A 67 -7.501 1.169 0.937 1.00 0.00 H new ATOM 0 HG2 MET A 67 -6.358 -0.520 -0.249 1.00 0.00 H new ATOM 0 HG3 MET A 67 -7.666 -1.349 0.572 1.00 0.00 H new ATOM 0 HE1 MET A 67 -7.333 -3.338 -2.779 1.00 0.00 H new ATOM 0 HE2 MET A 67 -6.278 -2.863 -1.426 1.00 0.00 H new ATOM 0 HE3 MET A 67 -7.884 -3.557 -1.101 1.00 0.00 H new ATOM 1022 N ASN A 68 -9.966 1.679 2.699 1.00 0.00 N ATOM 1023 CA ASN A 68 -10.099 1.724 4.152 1.00 0.00 C ATOM 1024 C ASN A 68 -11.129 0.708 4.633 1.00 0.00 C ATOM 1025 O ASN A 68 -12.320 0.828 4.343 1.00 0.00 O ATOM 1026 CB ASN A 68 -10.500 3.120 4.623 1.00 0.00 C ATOM 1027 CG ASN A 68 -10.032 3.409 6.035 1.00 0.00 C ATOM 1028 OD1 ASN A 68 -8.835 3.383 6.321 1.00 0.00 O ATOM 1029 ND2 ASN A 68 -10.976 3.690 6.924 1.00 0.00 N ATOM 0 H ASN A 68 -10.137 2.567 2.227 1.00 0.00 H new ATOM 0 HA ASN A 68 -9.127 1.475 4.578 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -10.081 3.864 3.945 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -11.584 3.219 4.575 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -10.722 3.896 7.890 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -11.956 3.700 6.641 1.00 0.00 H new ATOM 1036 N GLU A 69 -10.658 -0.288 5.372 1.00 0.00 N ATOM 1037 CA GLU A 69 -11.531 -1.330 5.906 1.00 0.00 C ATOM 1038 C GLU A 69 -12.038 -2.253 4.799 1.00 0.00 C ATOM 1039 O GLU A 69 -13.129 -2.812 4.898 1.00 0.00 O ATOM 1040 CB GLU A 69 -12.713 -0.705 6.654 1.00 0.00 C ATOM 1041 CG GLU A 69 -12.870 -1.218 8.077 1.00 0.00 C ATOM 1042 CD GLU A 69 -13.370 -0.153 9.033 1.00 0.00 C ATOM 1043 OE1 GLU A 69 -14.602 0.007 9.154 1.00 0.00 O ATOM 1044 OE2 GLU A 69 -12.527 0.522 9.661 1.00 0.00 O ATOM 0 H GLU A 69 -9.674 -0.398 5.617 1.00 0.00 H new ATOM 0 HA GLU A 69 -10.945 -1.929 6.603 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -12.586 0.377 6.678 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -13.630 -0.906 6.100 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -13.564 -2.058 8.081 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -11.910 -1.596 8.430 1.00 0.00 H new ATOM 1051 N SER A 70 -11.235 -2.421 3.751 1.00 0.00 N ATOM 1052 CA SER A 70 -11.600 -3.291 2.640 1.00 0.00 C ATOM 1053 C SER A 70 -10.955 -4.658 2.816 1.00 0.00 C ATOM 1054 O SER A 70 -10.327 -4.925 3.840 1.00 0.00 O ATOM 1055 CB SER A 70 -11.172 -2.671 1.305 1.00 0.00 C ATOM 1056 OG SER A 70 -12.258 -2.613 0.398 1.00 0.00 O ATOM 0 H SER A 70 -10.328 -1.966 3.649 1.00 0.00 H new ATOM 0 HA SER A 70 -12.684 -3.408 2.632 1.00 0.00 H new ATOM 0 HB2 SER A 70 -10.782 -1.667 1.475 1.00 0.00 H new ATOM 0 HB3 SER A 70 -10.363 -3.258 0.871 1.00 0.00 H new ATOM 0 HG SER A 70 -12.429 -1.680 0.151 1.00 0.00 H new ATOM 1062 N GLU A 71 -11.108 -5.521 1.819 1.00 0.00 N ATOM 1063 CA GLU A 71 -10.531 -6.860 1.882 1.00 0.00 C ATOM 1064 C GLU A 71 -9.901 -7.268 0.550 1.00 0.00 C ATOM 1065 O GLU A 71 -10.538 -7.182 -0.499 1.00 0.00 O ATOM 1066 CB GLU A 71 -11.602 -7.877 2.281 1.00 0.00 C ATOM 1067 CG GLU A 71 -11.037 -9.182 2.820 1.00 0.00 C ATOM 1068 CD GLU A 71 -11.941 -9.827 3.853 1.00 0.00 C ATOM 1069 OE1 GLU A 71 -11.929 -9.376 5.018 1.00 0.00 O ATOM 1070 OE2 GLU A 71 -12.662 -10.785 3.497 1.00 0.00 O ATOM 0 H GLU A 71 -11.623 -5.320 0.962 1.00 0.00 H new ATOM 0 HA GLU A 71 -9.743 -6.844 2.635 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -12.249 -7.432 3.037 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -12.226 -8.093 1.414 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -10.883 -9.876 1.993 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -10.060 -8.994 3.265 1.00 0.00 H new ATOM 1077 N LEU A 72 -8.659 -7.746 0.607 1.00 0.00 N ATOM 1078 CA LEU A 72 -7.961 -8.207 -0.592 1.00 0.00 C ATOM 1079 C LEU A 72 -7.194 -9.479 -0.275 1.00 0.00 C ATOM 1080 O LEU A 72 -6.480 -9.550 0.726 1.00 0.00 O ATOM 1081 CB LEU A 72 -7.020 -7.129 -1.163 1.00 0.00 C ATOM 1082 CG LEU A 72 -5.823 -6.733 -0.288 1.00 0.00 C ATOM 1083 CD1 LEU A 72 -4.659 -7.684 -0.488 1.00 0.00 C ATOM 1084 CD2 LEU A 72 -5.392 -5.302 -0.597 1.00 0.00 C ATOM 0 H LEU A 72 -8.117 -7.824 1.467 1.00 0.00 H new ATOM 0 HA LEU A 72 -8.706 -8.414 -1.360 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -6.640 -7.481 -2.122 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -7.608 -6.233 -1.362 1.00 0.00 H new ATOM 0 HG LEU A 72 -6.134 -6.794 0.755 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -3.826 -7.378 0.145 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -4.965 -8.695 -0.221 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -4.348 -7.663 -1.532 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -4.542 -5.034 0.031 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -5.106 -5.227 -1.646 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -6.220 -4.621 -0.397 1.00 0.00 H new ATOM 1096 N PHE A 73 -7.360 -10.496 -1.114 1.00 0.00 N ATOM 1097 CA PHE A 73 -6.693 -11.771 -0.894 1.00 0.00 C ATOM 1098 C PHE A 73 -7.094 -12.343 0.460 1.00 0.00 C ATOM 1099 O PHE A 73 -6.265 -12.880 1.194 1.00 0.00 O ATOM 1100 CB PHE A 73 -5.176 -11.592 -0.969 1.00 0.00 C ATOM 1101 CG PHE A 73 -4.688 -11.281 -2.354 1.00 0.00 C ATOM 1102 CD1 PHE A 73 -4.949 -12.150 -3.402 1.00 0.00 C ATOM 1103 CD2 PHE A 73 -3.977 -10.119 -2.611 1.00 0.00 C ATOM 1104 CE1 PHE A 73 -4.509 -11.866 -4.680 1.00 0.00 C ATOM 1105 CE2 PHE A 73 -3.533 -9.832 -3.888 1.00 0.00 C ATOM 1106 CZ PHE A 73 -3.801 -10.707 -4.924 1.00 0.00 C ATOM 0 H PHE A 73 -7.947 -10.462 -1.947 1.00 0.00 H new ATOM 0 HA PHE A 73 -6.999 -12.470 -1.673 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -4.877 -10.788 -0.296 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -4.691 -12.502 -0.615 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -5.502 -13.059 -3.217 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -3.768 -9.431 -1.805 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -4.719 -12.551 -5.488 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -2.977 -8.925 -4.076 1.00 0.00 H new ATOM 0 HZ PHE A 73 -3.457 -10.484 -5.923 1.00 0.00 H new ATOM 1116 N GLY A 74 -8.377 -12.206 0.786 1.00 0.00 N ATOM 1117 CA GLY A 74 -8.881 -12.696 2.054 1.00 0.00 C ATOM 1118 C GLY A 74 -8.255 -11.976 3.230 1.00 0.00 C ATOM 1119 O GLY A 74 -8.201 -12.510 4.338 1.00 0.00 O ATOM 0 H GLY A 74 -9.077 -11.763 0.191 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -9.963 -12.571 2.087 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -8.681 -13.764 2.135 1.00 0.00 H new ATOM 1123 N ARG A 75 -7.766 -10.761 2.984 1.00 0.00 N ATOM 1124 CA ARG A 75 -7.125 -9.975 4.026 1.00 0.00 C ATOM 1125 C ARG A 75 -7.705 -8.573 4.122 1.00 0.00 C ATOM 1126 O ARG A 75 -7.854 -7.876 3.120 1.00 0.00 O ATOM 1127 CB ARG A 75 -5.628 -9.896 3.764 1.00 0.00 C ATOM 1128 CG ARG A 75 -4.960 -11.253 3.774 1.00 0.00 C ATOM 1129 CD ARG A 75 -4.506 -11.633 5.170 1.00 0.00 C ATOM 1130 NE ARG A 75 -4.577 -13.072 5.399 1.00 0.00 N ATOM 1131 CZ ARG A 75 -4.223 -13.657 6.540 1.00 0.00 C ATOM 1132 NH1 ARG A 75 -3.760 -12.932 7.550 1.00 0.00 N ATOM 1133 NH2 ARG A 75 -4.332 -14.972 6.670 1.00 0.00 N ATOM 0 H ARG A 75 -7.804 -10.304 2.073 1.00 0.00 H new ATOM 0 HA ARG A 75 -7.311 -10.474 4.977 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -5.457 -9.419 2.799 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -5.164 -9.262 4.520 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -5.654 -12.005 3.397 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -4.103 -11.244 3.100 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -3.482 -11.292 5.323 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -5.126 -11.119 5.905 1.00 0.00 H new ATOM 0 HE ARG A 75 -4.918 -13.663 4.641 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -3.674 -11.920 7.454 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -3.490 -13.386 8.422 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -4.687 -15.533 5.896 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -4.061 -15.422 7.544 1.00 0.00 H new ATOM 1147 N THR A 76 -8.005 -8.165 5.347 1.00 0.00 N ATOM 1148 CA THR A 76 -8.545 -6.842 5.603 1.00 0.00 C ATOM 1149 C THR A 76 -7.411 -5.833 5.694 1.00 0.00 C ATOM 1150 O THR A 76 -6.483 -6.000 6.483 1.00 0.00 O ATOM 1151 CB THR A 76 -9.360 -6.833 6.897 1.00 0.00 C ATOM 1152 OG1 THR A 76 -10.170 -7.994 6.997 1.00 0.00 O ATOM 1153 CG2 THR A 76 -10.266 -5.628 7.022 1.00 0.00 C ATOM 0 H THR A 76 -7.882 -8.737 6.182 1.00 0.00 H new ATOM 0 HA THR A 76 -9.205 -6.569 4.780 1.00 0.00 H new ATOM 0 HB THR A 76 -8.623 -6.801 7.699 1.00 0.00 H new ATOM 0 HG1 THR A 76 -10.616 -8.157 6.140 1.00 0.00 H new ATOM 0 HG21 THR A 76 -10.816 -5.682 7.961 1.00 0.00 H new ATOM 0 HG22 THR A 76 -9.666 -4.718 7.005 1.00 0.00 H new ATOM 0 HG23 THR A 76 -10.970 -5.614 6.190 1.00 0.00 H new ATOM 1161 N ILE A 77 -7.487 -4.794 4.878 1.00 0.00 N ATOM 1162 CA ILE A 77 -6.461 -3.764 4.864 1.00 0.00 C ATOM 1163 C ILE A 77 -7.034 -2.395 5.197 1.00 0.00 C ATOM 1164 O ILE A 77 -8.223 -2.136 5.010 1.00 0.00 O ATOM 1165 CB ILE A 77 -5.744 -3.682 3.500 1.00 0.00 C ATOM 1166 CG1 ILE A 77 -6.741 -3.366 2.378 1.00 0.00 C ATOM 1167 CG2 ILE A 77 -4.991 -4.974 3.211 1.00 0.00 C ATOM 1168 CD1 ILE A 77 -7.650 -4.521 2.014 1.00 0.00 C ATOM 0 H ILE A 77 -8.249 -4.642 4.217 1.00 0.00 H new ATOM 0 HA ILE A 77 -5.739 -4.050 5.629 1.00 0.00 H new ATOM 0 HB ILE A 77 -5.019 -2.869 3.544 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -7.354 -2.517 2.680 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -6.187 -3.060 1.490 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -4.492 -4.896 2.245 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -4.248 -5.144 3.990 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -5.693 -5.808 3.191 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -8.324 -4.215 1.214 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -7.048 -5.366 1.679 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -8.233 -4.814 2.887 1.00 0.00 H new ATOM 1180 N ARG A 78 -6.164 -1.523 5.680 1.00 0.00 N ATOM 1181 CA ARG A 78 -6.539 -0.162 6.039 1.00 0.00 C ATOM 1182 C ARG A 78 -5.573 0.821 5.397 1.00 0.00 C ATOM 1183 O ARG A 78 -4.364 0.588 5.380 1.00 0.00 O ATOM 1184 CB ARG A 78 -6.519 0.017 7.557 1.00 0.00 C ATOM 1185 CG ARG A 78 -7.491 -0.889 8.291 1.00 0.00 C ATOM 1186 CD ARG A 78 -7.377 -0.718 9.796 1.00 0.00 C ATOM 1187 NE ARG A 78 -8.215 0.374 10.287 1.00 0.00 N ATOM 1188 CZ ARG A 78 -8.338 0.696 11.571 1.00 0.00 C ATOM 1189 NH1 ARG A 78 -7.676 0.016 12.499 1.00 0.00 N ATOM 1190 NH2 ARG A 78 -9.123 1.702 11.929 1.00 0.00 N ATOM 0 H ARG A 78 -5.179 -1.737 5.835 1.00 0.00 H new ATOM 0 HA ARG A 78 -7.549 0.028 5.677 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -5.510 -0.174 7.923 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -6.753 1.055 7.795 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -8.510 -0.666 7.974 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -7.295 -1.928 8.025 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -7.665 -1.646 10.289 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -6.338 -0.525 10.061 1.00 0.00 H new ATOM 0 HE ARG A 78 -8.737 0.922 9.603 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -7.069 -0.758 12.228 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -7.774 0.267 13.483 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -9.632 2.229 11.220 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -9.218 1.949 12.914 1.00 0.00 H new ATOM 1204 N VAL A 79 -6.099 1.915 4.861 1.00 0.00 N ATOM 1205 CA VAL A 79 -5.254 2.907 4.218 1.00 0.00 C ATOM 1206 C VAL A 79 -5.398 4.273 4.885 1.00 0.00 C ATOM 1207 O VAL A 79 -6.444 4.595 5.449 1.00 0.00 O ATOM 1208 CB VAL A 79 -5.574 2.987 2.706 1.00 0.00 C ATOM 1209 CG1 VAL A 79 -4.897 4.182 2.046 1.00 0.00 C ATOM 1210 CG2 VAL A 79 -5.149 1.692 2.024 1.00 0.00 C ATOM 0 H VAL A 79 -7.095 2.135 4.859 1.00 0.00 H new ATOM 0 HA VAL A 79 -4.215 2.597 4.333 1.00 0.00 H new ATOM 0 HB VAL A 79 -6.650 3.123 2.594 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -5.147 4.202 0.985 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -5.242 5.102 2.517 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -3.816 4.098 2.163 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -5.375 1.750 0.959 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -4.078 1.544 2.160 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -5.690 0.854 2.464 1.00 0.00 H new ATOM 1220 N ASN A 80 -4.331 5.067 4.824 1.00 0.00 N ATOM 1221 CA ASN A 80 -4.328 6.392 5.431 1.00 0.00 C ATOM 1222 C ASN A 80 -3.270 7.288 4.797 1.00 0.00 C ATOM 1223 O ASN A 80 -2.373 6.812 4.106 1.00 0.00 O ATOM 1224 CB ASN A 80 -4.097 6.287 6.942 1.00 0.00 C ATOM 1225 CG ASN A 80 -5.034 7.177 7.735 1.00 0.00 C ATOM 1226 OD1 ASN A 80 -6.213 6.864 7.903 1.00 0.00 O ATOM 1227 ND2 ASN A 80 -4.514 8.295 8.229 1.00 0.00 N ATOM 0 H ASN A 80 -3.459 4.814 4.360 1.00 0.00 H new ATOM 0 HA ASN A 80 -5.304 6.844 5.253 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -4.232 5.252 7.256 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -3.066 6.557 7.168 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -5.097 8.932 8.771 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -3.532 8.516 8.066 1.00 0.00 H new ATOM 1234 N LEU A 81 -3.387 8.589 5.037 1.00 0.00 N ATOM 1235 CA LEU A 81 -2.443 9.558 4.487 1.00 0.00 C ATOM 1236 C LEU A 81 -1.133 9.572 5.272 1.00 0.00 C ATOM 1237 O LEU A 81 -0.087 9.952 4.742 1.00 0.00 O ATOM 1238 CB LEU A 81 -3.065 10.959 4.470 1.00 0.00 C ATOM 1239 CG LEU A 81 -3.750 11.394 5.770 1.00 0.00 C ATOM 1240 CD1 LEU A 81 -3.660 12.904 5.939 1.00 0.00 C ATOM 1241 CD2 LEU A 81 -5.207 10.941 5.789 1.00 0.00 C ATOM 0 H LEU A 81 -4.126 8.998 5.609 1.00 0.00 H new ATOM 0 HA LEU A 81 -2.217 9.256 3.464 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -2.284 11.681 4.232 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -3.796 11.003 3.663 1.00 0.00 H new ATOM 0 HG LEU A 81 -3.233 10.920 6.605 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -4.151 13.196 6.867 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -2.613 13.205 5.973 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -4.151 13.394 5.098 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -5.675 11.260 6.720 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -5.737 11.385 4.946 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -5.251 9.854 5.714 1.00 0.00 H new ATOM 1253 N ALA A 82 -1.191 9.158 6.534 1.00 0.00 N ATOM 1254 CA ALA A 82 -0.005 9.123 7.386 1.00 0.00 C ATOM 1255 C ALA A 82 0.619 10.508 7.521 1.00 0.00 C ATOM 1256 O ALA A 82 0.367 11.396 6.708 1.00 0.00 O ATOM 1257 CB ALA A 82 1.015 8.138 6.833 1.00 0.00 C ATOM 0 H ALA A 82 -2.047 8.842 6.990 1.00 0.00 H new ATOM 0 HA ALA A 82 -0.314 8.794 8.378 1.00 0.00 H new ATOM 0 HB1 ALA A 82 1.893 8.123 7.478 1.00 0.00 H new ATOM 0 HB2 ALA A 82 0.575 7.141 6.795 1.00 0.00 H new ATOM 0 HB3 ALA A 82 1.308 8.443 5.829 1.00 0.00 H new ATOM 1263 N LYS A 83 1.439 10.687 8.554 1.00 0.00 N ATOM 1264 CA LYS A 83 2.099 11.964 8.794 1.00 0.00 C ATOM 1265 C LYS A 83 3.497 11.976 8.180 1.00 0.00 C ATOM 1266 O LYS A 83 4.479 11.639 8.842 1.00 0.00 O ATOM 1267 CB LYS A 83 2.181 12.249 10.297 1.00 0.00 C ATOM 1268 CG LYS A 83 1.300 13.404 10.745 1.00 0.00 C ATOM 1269 CD LYS A 83 1.700 13.914 12.120 1.00 0.00 C ATOM 1270 CE LYS A 83 1.287 15.364 12.322 1.00 0.00 C ATOM 1271 NZ LYS A 83 -0.181 15.553 12.158 1.00 0.00 N ATOM 0 H LYS A 83 1.661 9.963 9.237 1.00 0.00 H new ATOM 0 HA LYS A 83 1.507 12.746 8.319 1.00 0.00 H new ATOM 0 HB2 LYS A 83 1.895 11.351 10.845 1.00 0.00 H new ATOM 0 HB3 LYS A 83 3.216 12.468 10.561 1.00 0.00 H new ATOM 0 HG2 LYS A 83 1.368 14.216 10.021 1.00 0.00 H new ATOM 0 HG3 LYS A 83 0.259 13.082 10.765 1.00 0.00 H new ATOM 0 HD2 LYS A 83 1.238 13.293 12.887 1.00 0.00 H new ATOM 0 HD3 LYS A 83 2.779 13.822 12.243 1.00 0.00 H new ATOM 0 HE2 LYS A 83 1.586 15.691 13.318 1.00 0.00 H new ATOM 0 HE3 LYS A 83 1.816 15.995 11.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -0.442 16.516 12.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -0.440 15.413 11.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -0.688 14.862 12.748 1.00 0.00 H new TER 1285 LYS A 83