USER MOD reduce.3.24.130724 H: found=0, std=0, add=635, rem=0, adj=10 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 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot -160:sc= -0.69 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 TYR OH : rot -92:sc= 0.861 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 : no HD1:sc= -0.958 K(o=-0.96,f=0.27) USER MOD Single : A 33 THR OG1 : rot 163:sc= -1.91 USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 HIS : no HD1:sc= -0.614 X(o=-0.61,f=-0.25) USER MOD Single : A 66 ASN : amide:sc= -0.31 X(o=-0.31,f=-0.52) USER MOD Single : A 67 MET CE :methyl -124:sc= -1.66 (180deg=-5.7!) USER MOD Single : A 68 ASN : amide:sc= -2.35 K(o=-2.4,f=-0.14) USER MOD Single : A 70 SER OG : rot 180:sc= 0.00816 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -2.09 K(o=-2.1,f=-6.9!) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -2 7.334 21.497 4.158 1.00 0.00 N ATOM 2 CA GLY A -2 6.014 21.009 3.669 1.00 0.00 C ATOM 3 C GLY A -2 5.562 21.709 2.399 1.00 0.00 C ATOM 4 O GLY A -2 5.367 22.926 2.388 1.00 0.00 O ATOM 0 H1 GLY A -2 7.593 20.986 5.026 1.00 0.00 H new ATOM 0 H2 GLY A -2 8.057 21.331 3.429 1.00 0.00 H new ATOM 0 H3 GLY A -2 7.274 22.515 4.361 1.00 0.00 H new ATOM 0 HA2 GLY A -2 6.073 19.936 3.486 1.00 0.00 H new ATOM 0 HA3 GLY A -2 5.265 21.158 4.447 1.00 0.00 H new ATOM 10 N SER A -1 5.390 20.940 1.328 1.00 0.00 N ATOM 11 CA SER A -1 4.952 21.491 0.048 1.00 0.00 C ATOM 12 C SER A -1 4.219 20.429 -0.769 1.00 0.00 C ATOM 13 O SER A -1 4.218 19.252 -0.409 1.00 0.00 O ATOM 14 CB SER A -1 6.153 22.033 -0.736 1.00 0.00 C ATOM 15 OG SER A -1 6.038 23.431 -0.936 1.00 0.00 O ATOM 0 H SER A -1 5.547 19.932 1.320 1.00 0.00 H new ATOM 0 HA SER A -1 4.263 22.313 0.242 1.00 0.00 H new ATOM 0 HB2 SER A -1 7.074 21.814 -0.196 1.00 0.00 H new ATOM 0 HB3 SER A -1 6.221 21.528 -1.700 1.00 0.00 H new ATOM 0 HG SER A -1 6.816 23.755 -1.437 1.00 0.00 H new ATOM 21 N THR A 3 3.602 20.846 -1.873 1.00 0.00 N ATOM 22 CA THR A 3 2.877 19.918 -2.732 1.00 0.00 C ATOM 23 C THR A 3 1.761 19.218 -1.959 1.00 0.00 C ATOM 24 O THR A 3 1.789 19.146 -0.730 1.00 0.00 O ATOM 25 CB THR A 3 3.848 18.890 -3.321 1.00 0.00 C ATOM 26 OG1 THR A 3 5.101 19.490 -3.595 1.00 0.00 O ATOM 27 CG2 THR A 3 3.361 18.263 -4.609 1.00 0.00 C ATOM 0 H THR A 3 3.591 21.815 -2.191 1.00 0.00 H new ATOM 0 HA THR A 3 2.419 20.481 -3.545 1.00 0.00 H new ATOM 0 HB THR A 3 3.929 18.110 -2.564 1.00 0.00 H new ATOM 0 HG1 THR A 3 5.710 18.819 -3.969 1.00 0.00 H new ATOM 0 HG21 THR A 3 4.100 17.546 -4.967 1.00 0.00 H new ATOM 0 HG22 THR A 3 2.416 17.751 -4.430 1.00 0.00 H new ATOM 0 HG23 THR A 3 3.216 19.040 -5.360 1.00 0.00 H new ATOM 35 N THR A 4 0.777 18.711 -2.689 1.00 0.00 N ATOM 36 CA THR A 4 -0.351 18.022 -2.080 1.00 0.00 C ATOM 37 C THR A 4 0.065 16.661 -1.525 1.00 0.00 C ATOM 38 O THR A 4 1.235 16.281 -1.591 1.00 0.00 O ATOM 39 CB THR A 4 -1.469 17.849 -3.105 1.00 0.00 C ATOM 40 OG1 THR A 4 -0.983 17.188 -4.265 1.00 0.00 O ATOM 41 CG2 THR A 4 -2.086 19.163 -3.539 1.00 0.00 C ATOM 0 H THR A 4 0.738 18.765 -3.707 1.00 0.00 H new ATOM 0 HA THR A 4 -0.711 18.629 -1.249 1.00 0.00 H new ATOM 0 HB THR A 4 -2.237 17.256 -2.608 1.00 0.00 H new ATOM 0 HG1 THR A 4 -1.588 17.360 -5.017 1.00 0.00 H new ATOM 0 HG21 THR A 4 -2.874 18.972 -4.268 1.00 0.00 H new ATOM 0 HG22 THR A 4 -2.509 19.670 -2.672 1.00 0.00 H new ATOM 0 HG23 THR A 4 -1.320 19.793 -3.990 1.00 0.00 H new ATOM 49 N LYS A 5 -0.907 15.934 -0.980 1.00 0.00 N ATOM 50 CA LYS A 5 -0.660 14.616 -0.408 1.00 0.00 C ATOM 51 C LYS A 5 -1.242 13.516 -1.291 1.00 0.00 C ATOM 52 O LYS A 5 -2.431 13.529 -1.614 1.00 0.00 O ATOM 53 CB LYS A 5 -1.257 14.537 1.001 1.00 0.00 C ATOM 54 CG LYS A 5 -0.216 14.371 2.093 1.00 0.00 C ATOM 55 CD LYS A 5 0.672 15.602 2.212 1.00 0.00 C ATOM 56 CE LYS A 5 0.426 16.354 3.511 1.00 0.00 C ATOM 57 NZ LYS A 5 1.690 16.597 4.255 1.00 0.00 N ATOM 0 H LYS A 5 -1.879 16.239 -0.923 1.00 0.00 H new ATOM 0 HA LYS A 5 0.418 14.465 -0.349 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -1.833 15.442 1.194 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -1.954 13.700 1.045 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -0.713 14.187 3.045 1.00 0.00 H new ATOM 0 HG3 LYS A 5 0.399 13.497 1.880 1.00 0.00 H new ATOM 0 HD2 LYS A 5 1.718 15.302 2.159 1.00 0.00 H new ATOM 0 HD3 LYS A 5 0.488 16.266 1.367 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -0.057 17.307 3.294 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -0.261 15.784 4.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 1.482 17.112 5.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 2.138 15.687 4.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 2.335 17.163 3.667 1.00 0.00 H new ATOM 71 N ARG A 6 -0.397 12.566 -1.675 1.00 0.00 N ATOM 72 CA ARG A 6 -0.823 11.456 -2.522 1.00 0.00 C ATOM 73 C ARG A 6 -0.220 10.131 -2.062 1.00 0.00 C ATOM 74 O ARG A 6 -0.423 9.097 -2.701 1.00 0.00 O ATOM 75 CB ARG A 6 -0.435 11.720 -3.978 1.00 0.00 C ATOM 76 CG ARG A 6 1.018 12.133 -4.152 1.00 0.00 C ATOM 77 CD ARG A 6 1.183 13.102 -5.307 1.00 0.00 C ATOM 78 NE ARG A 6 2.558 13.131 -5.794 1.00 0.00 N ATOM 79 CZ ARG A 6 3.069 14.123 -6.517 1.00 0.00 C ATOM 80 NH1 ARG A 6 2.319 15.169 -6.841 1.00 0.00 N ATOM 81 NH2 ARG A 6 4.331 14.072 -6.913 1.00 0.00 N ATOM 0 H ARG A 6 0.589 12.541 -1.413 1.00 0.00 H new ATOM 0 HA ARG A 6 -1.907 11.381 -2.441 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -0.622 10.820 -4.565 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -1.078 12.502 -4.381 1.00 0.00 H new ATOM 0 HG2 ARG A 6 1.379 12.595 -3.233 1.00 0.00 H new ATOM 0 HG3 ARG A 6 1.631 11.249 -4.327 1.00 0.00 H new ATOM 0 HD2 ARG A 6 0.515 12.817 -6.120 1.00 0.00 H new ATOM 0 HD3 ARG A 6 0.889 14.102 -4.988 1.00 0.00 H new ATOM 0 HE ARG A 6 3.164 12.343 -5.566 1.00 0.00 H new ATOM 0 HH11 ARG A 6 1.347 15.214 -6.535 1.00 0.00 H new ATOM 0 HH12 ARG A 6 2.715 15.928 -7.396 1.00 0.00 H new ATOM 0 HH21 ARG A 6 4.912 13.271 -6.664 1.00 0.00 H new ATOM 0 HH22 ARG A 6 4.723 14.833 -7.468 1.00 0.00 H new ATOM 95 N VAL A 7 0.517 10.154 -0.952 1.00 0.00 N ATOM 96 CA VAL A 7 1.132 8.944 -0.424 1.00 0.00 C ATOM 97 C VAL A 7 0.278 8.344 0.688 1.00 0.00 C ATOM 98 O VAL A 7 0.010 8.992 1.699 1.00 0.00 O ATOM 99 CB VAL A 7 2.555 9.200 0.116 1.00 0.00 C ATOM 100 CG1 VAL A 7 3.593 8.999 -0.981 1.00 0.00 C ATOM 101 CG2 VAL A 7 2.676 10.590 0.730 1.00 0.00 C ATOM 0 H VAL A 7 0.700 10.995 -0.405 1.00 0.00 H new ATOM 0 HA VAL A 7 1.202 8.243 -1.256 1.00 0.00 H new ATOM 0 HB VAL A 7 2.746 8.473 0.906 1.00 0.00 H new ATOM 0 HG11 VAL A 7 4.589 9.185 -0.578 1.00 0.00 H new ATOM 0 HG12 VAL A 7 3.537 7.976 -1.352 1.00 0.00 H new ATOM 0 HG13 VAL A 7 3.397 9.693 -1.799 1.00 0.00 H new ATOM 0 HG21 VAL A 7 3.691 10.737 1.100 1.00 0.00 H new ATOM 0 HG22 VAL A 7 2.453 11.343 -0.026 1.00 0.00 H new ATOM 0 HG23 VAL A 7 1.971 10.686 1.556 1.00 0.00 H new ATOM 111 N LEU A 8 -0.148 7.101 0.490 1.00 0.00 N ATOM 112 CA LEU A 8 -0.976 6.402 1.468 1.00 0.00 C ATOM 113 C LEU A 8 -0.236 5.196 2.041 1.00 0.00 C ATOM 114 O LEU A 8 0.682 4.673 1.415 1.00 0.00 O ATOM 115 CB LEU A 8 -2.284 5.937 0.820 1.00 0.00 C ATOM 116 CG LEU A 8 -2.784 6.796 -0.347 1.00 0.00 C ATOM 117 CD1 LEU A 8 -4.035 6.182 -0.960 1.00 0.00 C ATOM 118 CD2 LEU A 8 -3.054 8.221 0.115 1.00 0.00 C ATOM 0 H LEU A 8 0.068 6.554 -0.343 1.00 0.00 H new ATOM 0 HA LEU A 8 -1.200 7.096 2.278 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -2.150 4.915 0.465 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -3.059 5.909 1.586 1.00 0.00 H new ATOM 0 HG LEU A 8 -2.007 6.828 -1.111 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -4.378 6.804 -1.787 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -3.806 5.182 -1.328 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -4.818 6.120 -0.204 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -3.408 8.816 -0.727 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -3.813 8.212 0.897 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -2.135 8.657 0.506 1.00 0.00 H new ATOM 130 N TYR A 9 -0.651 4.748 3.223 1.00 0.00 N ATOM 131 CA TYR A 9 -0.027 3.587 3.861 1.00 0.00 C ATOM 132 C TYR A 9 -1.030 2.451 3.996 1.00 0.00 C ATOM 133 O TYR A 9 -2.180 2.674 4.362 1.00 0.00 O ATOM 134 CB TYR A 9 0.547 3.946 5.233 1.00 0.00 C ATOM 135 CG TYR A 9 0.979 2.736 6.037 1.00 0.00 C ATOM 136 CD1 TYR A 9 2.130 2.030 5.706 1.00 0.00 C ATOM 137 CD2 TYR A 9 0.231 2.298 7.120 1.00 0.00 C ATOM 138 CE1 TYR A 9 2.521 0.919 6.433 1.00 0.00 C ATOM 139 CE2 TYR A 9 0.615 1.191 7.854 1.00 0.00 C ATOM 140 CZ TYR A 9 1.761 0.504 7.504 1.00 0.00 C ATOM 141 OH TYR A 9 2.146 -0.603 8.227 1.00 0.00 O ATOM 0 H TYR A 9 -1.412 5.167 3.758 1.00 0.00 H new ATOM 0 HA TYR A 9 0.796 3.262 3.224 1.00 0.00 H new ATOM 0 HB2 TYR A 9 1.402 4.609 5.099 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -0.202 4.501 5.798 1.00 0.00 H new ATOM 0 HD1 TYR A 9 2.729 2.354 4.868 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -0.667 2.831 7.395 1.00 0.00 H new ATOM 0 HE1 TYR A 9 3.417 0.381 6.162 1.00 0.00 H new ATOM 0 HE2 TYR A 9 0.022 0.865 8.696 1.00 0.00 H new ATOM 0 HH TYR A 9 1.717 -1.402 7.855 1.00 0.00 H new ATOM 151 N VAL A 10 -0.588 1.231 3.702 1.00 0.00 N ATOM 152 CA VAL A 10 -1.459 0.065 3.796 1.00 0.00 C ATOM 153 C VAL A 10 -1.085 -0.800 4.987 1.00 0.00 C ATOM 154 O VAL A 10 0.056 -1.245 5.112 1.00 0.00 O ATOM 155 CB VAL A 10 -1.382 -0.809 2.534 1.00 0.00 C ATOM 156 CG1 VAL A 10 -2.470 -1.875 2.567 1.00 0.00 C ATOM 157 CG2 VAL A 10 -1.476 0.041 1.275 1.00 0.00 C ATOM 0 H VAL A 10 0.364 1.026 3.398 1.00 0.00 H new ATOM 0 HA VAL A 10 -2.473 0.449 3.911 1.00 0.00 H new ATOM 0 HB VAL A 10 -0.414 -1.310 2.516 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -2.406 -2.488 1.668 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -2.336 -2.505 3.446 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -3.448 -1.396 2.610 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -1.419 -0.602 0.397 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -2.424 0.580 1.269 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -0.653 0.755 1.256 1.00 0.00 H new ATOM 167 N GLY A 11 -2.057 -1.038 5.861 1.00 0.00 N ATOM 168 CA GLY A 11 -1.815 -1.852 7.034 1.00 0.00 C ATOM 169 C GLY A 11 -2.707 -3.084 7.092 1.00 0.00 C ATOM 170 O GLY A 11 -3.924 -2.970 7.241 1.00 0.00 O ATOM 0 H GLY A 11 -3.009 -0.681 5.776 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -0.771 -2.164 7.045 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -1.977 -1.250 7.928 1.00 0.00 H new ATOM 174 N GLY A 12 -2.101 -4.265 6.960 1.00 0.00 N ATOM 175 CA GLY A 12 -2.851 -5.508 6.984 1.00 0.00 C ATOM 176 C GLY A 12 -2.667 -6.253 5.688 1.00 0.00 C ATOM 177 O GLY A 12 -3.627 -6.512 4.965 1.00 0.00 O ATOM 0 H GLY A 12 -1.095 -4.380 6.836 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -2.517 -6.126 7.817 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -3.909 -5.300 7.145 1.00 0.00 H new ATOM 181 N LEU A 13 -1.412 -6.546 5.369 1.00 0.00 N ATOM 182 CA LEU A 13 -1.079 -7.200 4.123 1.00 0.00 C ATOM 183 C LEU A 13 -0.481 -8.592 4.313 1.00 0.00 C ATOM 184 O LEU A 13 0.128 -8.894 5.340 1.00 0.00 O ATOM 185 CB LEU A 13 -0.069 -6.336 3.375 1.00 0.00 C ATOM 186 CG LEU A 13 -0.620 -5.067 2.726 1.00 0.00 C ATOM 187 CD1 LEU A 13 0.494 -4.294 2.031 1.00 0.00 C ATOM 188 CD2 LEU A 13 -1.742 -5.391 1.749 1.00 0.00 C ATOM 0 H LEU A 13 -0.610 -6.337 5.963 1.00 0.00 H new ATOM 0 HA LEU A 13 -2.007 -7.321 3.564 1.00 0.00 H new ATOM 0 HB2 LEU A 13 0.720 -6.051 4.071 1.00 0.00 H new ATOM 0 HB3 LEU A 13 0.395 -6.945 2.599 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.036 -4.439 3.514 1.00 0.00 H new ATOM 0 HD11 LEU A 13 0.082 -3.394 1.575 1.00 0.00 H new ATOM 0 HD12 LEU A 13 1.254 -4.016 2.761 1.00 0.00 H new ATOM 0 HD13 LEU A 13 0.944 -4.919 1.259 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -2.114 -4.469 1.303 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -1.363 -6.046 0.965 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -2.553 -5.891 2.279 1.00 0.00 H new ATOM 200 N ALA A 14 -0.634 -9.413 3.280 1.00 0.00 N ATOM 201 CA ALA A 14 -0.087 -10.764 3.262 1.00 0.00 C ATOM 202 C ALA A 14 1.017 -10.858 2.212 1.00 0.00 C ATOM 203 O ALA A 14 1.180 -9.950 1.398 1.00 0.00 O ATOM 204 CB ALA A 14 -1.176 -11.783 2.970 1.00 0.00 C ATOM 0 H ALA A 14 -1.141 -9.160 2.432 1.00 0.00 H new ATOM 0 HA ALA A 14 0.330 -10.985 4.244 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -0.745 -12.784 2.961 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -1.944 -11.725 3.741 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -1.621 -11.571 1.998 1.00 0.00 H new ATOM 210 N GLU A 15 1.773 -11.950 2.226 1.00 0.00 N ATOM 211 CA GLU A 15 2.858 -12.133 1.263 1.00 0.00 C ATOM 212 C GLU A 15 2.357 -12.024 -0.175 1.00 0.00 C ATOM 213 O GLU A 15 3.125 -11.747 -1.098 1.00 0.00 O ATOM 214 CB GLU A 15 3.527 -13.492 1.460 1.00 0.00 C ATOM 215 CG GLU A 15 2.543 -14.647 1.587 1.00 0.00 C ATOM 216 CD GLU A 15 2.792 -15.746 0.570 1.00 0.00 C ATOM 217 OE1 GLU A 15 2.645 -15.480 -0.641 1.00 0.00 O ATOM 218 OE2 GLU A 15 3.133 -16.874 0.986 1.00 0.00 O ATOM 0 H GLU A 15 1.658 -12.718 2.887 1.00 0.00 H new ATOM 0 HA GLU A 15 3.583 -11.338 1.440 1.00 0.00 H new ATOM 0 HB2 GLU A 15 4.193 -13.685 0.619 1.00 0.00 H new ATOM 0 HB3 GLU A 15 4.147 -13.455 2.355 1.00 0.00 H new ATOM 0 HG2 GLU A 15 2.609 -15.066 2.591 1.00 0.00 H new ATOM 0 HG3 GLU A 15 1.528 -14.269 1.465 1.00 0.00 H new ATOM 225 N GLU A 16 1.068 -12.270 -0.353 1.00 0.00 N ATOM 226 CA GLU A 16 0.443 -12.234 -1.675 1.00 0.00 C ATOM 227 C GLU A 16 0.423 -10.824 -2.275 1.00 0.00 C ATOM 228 O GLU A 16 0.609 -10.661 -3.479 1.00 0.00 O ATOM 229 CB GLU A 16 -0.986 -12.784 -1.603 1.00 0.00 C ATOM 230 CG GLU A 16 -1.212 -13.763 -0.459 1.00 0.00 C ATOM 231 CD GLU A 16 -2.290 -14.783 -0.766 1.00 0.00 C ATOM 232 OE1 GLU A 16 -3.330 -14.391 -1.333 1.00 0.00 O ATOM 233 OE2 GLU A 16 -2.094 -15.974 -0.443 1.00 0.00 O ATOM 0 H GLU A 16 0.426 -12.499 0.406 1.00 0.00 H new ATOM 0 HA GLU A 16 1.049 -12.861 -2.329 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -1.681 -11.951 -1.498 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -1.222 -13.280 -2.545 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -0.279 -14.282 -0.240 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -1.487 -13.209 0.439 1.00 0.00 H new ATOM 240 N VAL A 17 0.183 -9.811 -1.446 1.00 0.00 N ATOM 241 CA VAL A 17 0.128 -8.441 -1.925 1.00 0.00 C ATOM 242 C VAL A 17 1.511 -7.902 -2.234 1.00 0.00 C ATOM 243 O VAL A 17 2.485 -8.190 -1.540 1.00 0.00 O ATOM 244 CB VAL A 17 -0.556 -7.497 -0.918 1.00 0.00 C ATOM 245 CG1 VAL A 17 0.226 -7.450 0.383 1.00 0.00 C ATOM 246 CG2 VAL A 17 -0.707 -6.102 -1.516 1.00 0.00 C ATOM 0 H VAL A 17 0.025 -9.917 -0.444 1.00 0.00 H new ATOM 0 HA VAL A 17 -0.465 -8.470 -2.839 1.00 0.00 H new ATOM 0 HB VAL A 17 -1.552 -7.882 -0.699 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -0.272 -6.778 1.083 1.00 0.00 H new ATOM 0 HG12 VAL A 17 0.276 -8.450 0.814 1.00 0.00 H new ATOM 0 HG13 VAL A 17 1.235 -7.088 0.188 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -1.192 -5.447 -0.793 1.00 0.00 H new ATOM 0 HG22 VAL A 17 0.277 -5.704 -1.764 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -1.314 -6.157 -2.420 1.00 0.00 H new ATOM 256 N ASP A 18 1.569 -7.115 -3.288 1.00 0.00 N ATOM 257 CA ASP A 18 2.811 -6.508 -3.736 1.00 0.00 C ATOM 258 C ASP A 18 2.527 -5.239 -4.527 1.00 0.00 C ATOM 259 O ASP A 18 1.388 -4.782 -4.598 1.00 0.00 O ATOM 260 CB ASP A 18 3.600 -7.499 -4.599 1.00 0.00 C ATOM 261 CG ASP A 18 4.886 -7.948 -3.933 1.00 0.00 C ATOM 262 OD1 ASP A 18 5.810 -7.118 -3.810 1.00 0.00 O ATOM 263 OD2 ASP A 18 4.968 -9.129 -3.532 1.00 0.00 O ATOM 0 H ASP A 18 0.759 -6.876 -3.860 1.00 0.00 H new ATOM 0 HA ASP A 18 3.406 -6.247 -2.861 1.00 0.00 H new ATOM 0 HB2 ASP A 18 2.979 -8.370 -4.808 1.00 0.00 H new ATOM 0 HB3 ASP A 18 3.833 -7.036 -5.558 1.00 0.00 H new ATOM 268 N ASP A 19 3.568 -4.688 -5.126 1.00 0.00 N ATOM 269 CA ASP A 19 3.449 -3.479 -5.924 1.00 0.00 C ATOM 270 C ASP A 19 2.580 -3.731 -7.152 1.00 0.00 C ATOM 271 O ASP A 19 1.917 -2.830 -7.657 1.00 0.00 O ATOM 272 CB ASP A 19 4.843 -2.998 -6.340 1.00 0.00 C ATOM 273 CG ASP A 19 4.820 -1.631 -6.992 1.00 0.00 C ATOM 274 OD1 ASP A 19 3.743 -1.216 -7.461 1.00 0.00 O ATOM 275 OD2 ASP A 19 5.882 -0.974 -7.030 1.00 0.00 O ATOM 0 H ASP A 19 4.515 -5.063 -5.074 1.00 0.00 H new ATOM 0 HA ASP A 19 2.970 -2.704 -5.325 1.00 0.00 H new ATOM 0 HB2 ASP A 19 5.489 -2.966 -5.462 1.00 0.00 H new ATOM 0 HB3 ASP A 19 5.280 -3.718 -7.032 1.00 0.00 H new ATOM 280 N LYS A 20 2.621 -4.967 -7.636 1.00 0.00 N ATOM 281 CA LYS A 20 1.870 -5.377 -8.820 1.00 0.00 C ATOM 282 C LYS A 20 0.361 -5.348 -8.597 1.00 0.00 C ATOM 283 O LYS A 20 -0.389 -4.812 -9.412 1.00 0.00 O ATOM 284 CB LYS A 20 2.302 -6.791 -9.215 1.00 0.00 C ATOM 285 CG LYS A 20 1.768 -7.887 -8.301 1.00 0.00 C ATOM 286 CD LYS A 20 2.333 -9.251 -8.667 1.00 0.00 C ATOM 287 CE LYS A 20 1.359 -10.049 -9.519 1.00 0.00 C ATOM 288 NZ LYS A 20 2.012 -11.223 -10.163 1.00 0.00 N ATOM 0 H LYS A 20 3.176 -5.715 -7.219 1.00 0.00 H new ATOM 0 HA LYS A 20 2.090 -4.666 -9.616 1.00 0.00 H new ATOM 0 HB2 LYS A 20 1.969 -6.989 -10.234 1.00 0.00 H new ATOM 0 HB3 LYS A 20 3.391 -6.837 -9.221 1.00 0.00 H new ATOM 0 HG2 LYS A 20 2.022 -7.654 -7.267 1.00 0.00 H new ATOM 0 HG3 LYS A 20 0.680 -7.915 -8.364 1.00 0.00 H new ATOM 0 HD2 LYS A 20 3.271 -9.124 -9.208 1.00 0.00 H new ATOM 0 HD3 LYS A 20 2.562 -9.807 -7.758 1.00 0.00 H new ATOM 0 HE2 LYS A 20 0.530 -10.390 -8.899 1.00 0.00 H new ATOM 0 HE3 LYS A 20 0.936 -9.402 -10.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 1.313 -11.739 -10.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 2.787 -10.897 -10.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 2.393 -11.854 -9.429 1.00 0.00 H new ATOM 302 N VAL A 21 -0.073 -5.939 -7.498 1.00 0.00 N ATOM 303 CA VAL A 21 -1.491 -5.993 -7.169 1.00 0.00 C ATOM 304 C VAL A 21 -1.995 -4.628 -6.755 1.00 0.00 C ATOM 305 O VAL A 21 -3.065 -4.189 -7.171 1.00 0.00 O ATOM 306 CB VAL A 21 -1.779 -7.030 -6.068 1.00 0.00 C ATOM 307 CG1 VAL A 21 -1.586 -6.431 -4.692 1.00 0.00 C ATOM 308 CG2 VAL A 21 -3.182 -7.611 -6.219 1.00 0.00 C ATOM 0 H VAL A 21 0.536 -6.390 -6.815 1.00 0.00 H new ATOM 0 HA VAL A 21 -2.024 -6.306 -8.067 1.00 0.00 H new ATOM 0 HB VAL A 21 -1.064 -7.845 -6.181 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -1.796 -7.186 -3.934 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -0.557 -6.087 -4.586 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -2.265 -5.588 -4.563 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -3.361 -8.341 -5.429 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.917 -6.810 -6.146 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -3.272 -8.098 -7.190 1.00 0.00 H new ATOM 318 N LEU A 22 -1.202 -3.955 -5.933 1.00 0.00 N ATOM 319 CA LEU A 22 -1.556 -2.628 -5.466 1.00 0.00 C ATOM 320 C LEU A 22 -1.692 -1.706 -6.664 1.00 0.00 C ATOM 321 O LEU A 22 -2.562 -0.842 -6.708 1.00 0.00 O ATOM 322 CB LEU A 22 -0.498 -2.104 -4.492 1.00 0.00 C ATOM 323 CG LEU A 22 -0.513 -2.779 -3.115 1.00 0.00 C ATOM 324 CD1 LEU A 22 0.906 -3.062 -2.625 1.00 0.00 C ATOM 325 CD2 LEU A 22 -1.268 -1.935 -2.095 1.00 0.00 C ATOM 0 H LEU A 22 -0.313 -4.307 -5.578 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.506 -2.667 -4.933 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.487 -2.239 -4.938 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -0.644 -1.032 -4.359 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.034 -3.730 -3.223 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.864 -3.541 -1.647 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.410 -3.722 -3.331 1.00 0.00 H new ATOM 0 HD13 LEU A 22 1.458 -2.125 -2.547 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.261 -2.440 -1.129 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.786 -0.962 -2.000 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.298 -1.799 -2.426 1.00 0.00 H new ATOM 337 N HIS A 23 -0.840 -1.922 -7.655 1.00 0.00 N ATOM 338 CA HIS A 23 -0.889 -1.133 -8.867 1.00 0.00 C ATOM 339 C HIS A 23 -2.246 -1.300 -9.546 1.00 0.00 C ATOM 340 O HIS A 23 -2.948 -0.328 -9.800 1.00 0.00 O ATOM 341 CB HIS A 23 0.217 -1.592 -9.819 1.00 0.00 C ATOM 342 CG HIS A 23 1.064 -0.472 -10.337 1.00 0.00 C ATOM 343 ND1 HIS A 23 0.746 0.244 -11.471 1.00 0.00 N ATOM 344 CD2 HIS A 23 2.222 0.054 -9.877 1.00 0.00 C ATOM 345 CE1 HIS A 23 1.672 1.160 -11.686 1.00 0.00 C ATOM 346 NE2 HIS A 23 2.579 1.066 -10.732 1.00 0.00 N ATOM 0 H HIS A 23 -0.111 -2.635 -7.640 1.00 0.00 H new ATOM 0 HA HIS A 23 -0.744 -0.083 -8.614 1.00 0.00 H new ATOM 0 HB2 HIS A 23 0.854 -2.310 -9.303 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -0.235 -2.115 -10.662 1.00 0.00 H new ATOM 0 HD2 HIS A 23 2.765 -0.264 -8.999 1.00 0.00 H new ATOM 0 HE1 HIS A 23 1.685 1.866 -12.503 1.00 0.00 H new ATOM 0 HE2 HIS A 23 3.410 1.651 -10.644 1.00 0.00 H new ATOM 355 N ALA A 24 -2.595 -2.551 -9.820 1.00 0.00 N ATOM 356 CA ALA A 24 -3.859 -2.898 -10.468 1.00 0.00 C ATOM 357 C ALA A 24 -5.079 -2.622 -9.586 1.00 0.00 C ATOM 358 O ALA A 24 -6.104 -2.137 -10.065 1.00 0.00 O ATOM 359 CB ALA A 24 -3.844 -4.357 -10.895 1.00 0.00 C ATOM 0 H ALA A 24 -2.010 -3.357 -9.600 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.951 -2.255 -11.344 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.790 -4.605 -11.376 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.026 -4.523 -11.596 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.705 -4.991 -10.019 1.00 0.00 H new ATOM 365 N ALA A 25 -4.983 -2.972 -8.305 1.00 0.00 N ATOM 366 CA ALA A 25 -6.099 -2.792 -7.376 1.00 0.00 C ATOM 367 C ALA A 25 -6.348 -1.333 -7.036 1.00 0.00 C ATOM 368 O ALA A 25 -7.482 -0.936 -6.773 1.00 0.00 O ATOM 369 CB ALA A 25 -5.858 -3.579 -6.097 1.00 0.00 C ATOM 0 H ALA A 25 -4.147 -3.381 -7.887 1.00 0.00 H new ATOM 0 HA ALA A 25 -6.989 -3.168 -7.881 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -6.697 -3.434 -5.417 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -5.762 -4.639 -6.334 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -4.942 -3.229 -5.622 1.00 0.00 H new ATOM 375 N PHE A 26 -5.291 -0.540 -7.017 1.00 0.00 N ATOM 376 CA PHE A 26 -5.422 0.866 -6.675 1.00 0.00 C ATOM 377 C PHE A 26 -5.488 1.763 -7.915 1.00 0.00 C ATOM 378 O PHE A 26 -5.832 2.939 -7.807 1.00 0.00 O ATOM 379 CB PHE A 26 -4.277 1.289 -5.756 1.00 0.00 C ATOM 380 CG PHE A 26 -4.261 0.555 -4.439 1.00 0.00 C ATOM 381 CD1 PHE A 26 -4.111 -0.828 -4.385 1.00 0.00 C ATOM 382 CD2 PHE A 26 -4.394 1.255 -3.248 1.00 0.00 C ATOM 383 CE1 PHE A 26 -4.092 -1.489 -3.172 1.00 0.00 C ATOM 384 CE2 PHE A 26 -4.374 0.596 -2.033 1.00 0.00 C ATOM 385 CZ PHE A 26 -4.224 -0.776 -1.996 1.00 0.00 C ATOM 0 H PHE A 26 -4.341 -0.842 -7.232 1.00 0.00 H new ATOM 0 HA PHE A 26 -6.368 0.991 -6.148 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -3.330 1.121 -6.268 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -4.351 2.360 -5.565 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -4.008 -1.390 -5.301 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -4.515 2.328 -3.271 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -3.974 -2.562 -3.143 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -4.476 1.154 -1.114 1.00 0.00 H new ATOM 0 HZ PHE A 26 -4.210 -1.292 -1.047 1.00 0.00 H new ATOM 395 N ILE A 27 -5.166 1.212 -9.090 1.00 0.00 N ATOM 396 CA ILE A 27 -5.205 1.995 -10.325 1.00 0.00 C ATOM 397 C ILE A 27 -6.620 2.505 -10.623 1.00 0.00 C ATOM 398 O ILE A 27 -6.782 3.647 -11.051 1.00 0.00 O ATOM 399 CB ILE A 27 -4.633 1.217 -11.538 1.00 0.00 C ATOM 400 CG1 ILE A 27 -4.094 2.194 -12.580 1.00 0.00 C ATOM 401 CG2 ILE A 27 -5.657 0.286 -12.167 1.00 0.00 C ATOM 402 CD1 ILE A 27 -2.621 2.485 -12.409 1.00 0.00 C ATOM 0 H ILE A 27 -4.880 0.240 -9.210 1.00 0.00 H new ATOM 0 HA ILE A 27 -4.559 2.858 -10.163 1.00 0.00 H new ATOM 0 HB ILE A 27 -3.820 0.593 -11.168 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -4.265 1.785 -13.576 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -4.653 3.128 -12.518 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -5.205 -0.234 -13.012 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -5.989 -0.443 -11.427 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -6.512 0.866 -12.514 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -2.297 3.185 -13.179 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -2.448 2.921 -11.425 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -2.054 1.558 -12.500 1.00 0.00 H new ATOM 414 N PRO A 28 -7.681 1.694 -10.393 1.00 0.00 N ATOM 415 CA PRO A 28 -9.051 2.146 -10.645 1.00 0.00 C ATOM 416 C PRO A 28 -9.362 3.401 -9.842 1.00 0.00 C ATOM 417 O PRO A 28 -9.921 4.367 -10.362 1.00 0.00 O ATOM 418 CB PRO A 28 -9.922 0.970 -10.185 1.00 0.00 C ATOM 419 CG PRO A 28 -9.039 0.155 -9.307 1.00 0.00 C ATOM 420 CD PRO A 28 -7.658 0.311 -9.867 1.00 0.00 C ATOM 0 HA PRO A 28 -9.222 2.408 -11.689 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -10.802 1.319 -9.645 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -10.279 0.388 -11.034 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -9.085 0.502 -8.275 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -9.345 -0.891 -9.306 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -6.893 0.180 -9.102 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -7.453 -0.418 -10.651 1.00 0.00 H new ATOM 428 N PHE A 29 -8.965 3.384 -8.573 1.00 0.00 N ATOM 429 CA PHE A 29 -9.170 4.526 -7.693 1.00 0.00 C ATOM 430 C PHE A 29 -8.293 5.693 -8.142 1.00 0.00 C ATOM 431 O PHE A 29 -8.570 6.850 -7.830 1.00 0.00 O ATOM 432 CB PHE A 29 -8.837 4.164 -6.240 1.00 0.00 C ATOM 433 CG PHE A 29 -9.208 2.757 -5.853 1.00 0.00 C ATOM 434 CD1 PHE A 29 -10.467 2.255 -6.140 1.00 0.00 C ATOM 435 CD2 PHE A 29 -8.300 1.940 -5.198 1.00 0.00 C ATOM 436 CE1 PHE A 29 -10.811 0.965 -5.783 1.00 0.00 C ATOM 437 CE2 PHE A 29 -8.637 0.652 -4.837 1.00 0.00 C ATOM 438 CZ PHE A 29 -9.894 0.162 -5.129 1.00 0.00 C ATOM 0 H PHE A 29 -8.499 2.591 -8.132 1.00 0.00 H new ATOM 0 HA PHE A 29 -10.220 4.814 -7.748 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -7.768 4.303 -6.079 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -9.352 4.859 -5.577 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -11.188 2.879 -6.648 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -7.315 2.317 -4.967 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -11.795 0.584 -6.014 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -7.918 0.028 -4.327 1.00 0.00 H new ATOM 0 HZ PHE A 29 -10.161 -0.846 -4.848 1.00 0.00 H new ATOM 448 N GLY A 30 -7.229 5.372 -8.878 1.00 0.00 N ATOM 449 CA GLY A 30 -6.316 6.385 -9.362 1.00 0.00 C ATOM 450 C GLY A 30 -4.997 5.780 -9.779 1.00 0.00 C ATOM 451 O GLY A 30 -4.434 4.951 -9.066 1.00 0.00 O ATOM 0 H GLY A 30 -6.986 4.419 -9.147 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -6.763 6.906 -10.208 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -6.148 7.128 -8.583 1.00 0.00 H new ATOM 455 N ASP A 31 -4.508 6.174 -10.945 1.00 0.00 N ATOM 456 CA ASP A 31 -3.257 5.639 -11.456 1.00 0.00 C ATOM 457 C ASP A 31 -2.105 5.889 -10.498 1.00 0.00 C ATOM 458 O ASP A 31 -1.603 7.007 -10.377 1.00 0.00 O ATOM 459 CB ASP A 31 -2.927 6.217 -12.828 1.00 0.00 C ATOM 460 CG ASP A 31 -4.143 6.323 -13.729 1.00 0.00 C ATOM 461 OD1 ASP A 31 -4.738 5.273 -14.046 1.00 0.00 O ATOM 462 OD2 ASP A 31 -4.499 7.457 -14.115 1.00 0.00 O ATOM 0 H ASP A 31 -4.957 6.860 -11.552 1.00 0.00 H new ATOM 0 HA ASP A 31 -3.392 4.562 -11.554 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -2.485 7.206 -12.704 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -2.177 5.591 -13.310 1.00 0.00 H new ATOM 467 N ILE A 32 -1.687 4.825 -9.834 1.00 0.00 N ATOM 468 CA ILE A 32 -0.582 4.880 -8.890 1.00 0.00 C ATOM 469 C ILE A 32 0.684 5.392 -9.565 1.00 0.00 C ATOM 470 O ILE A 32 0.902 5.166 -10.756 1.00 0.00 O ATOM 471 CB ILE A 32 -0.320 3.478 -8.317 1.00 0.00 C ATOM 472 CG1 ILE A 32 -1.577 2.968 -7.619 1.00 0.00 C ATOM 473 CG2 ILE A 32 0.870 3.460 -7.365 1.00 0.00 C ATOM 474 CD1 ILE A 32 -2.274 1.880 -8.389 1.00 0.00 C ATOM 0 H ILE A 32 -2.103 3.899 -9.933 1.00 0.00 H new ATOM 0 HA ILE A 32 -0.852 5.565 -8.087 1.00 0.00 H new ATOM 0 HB ILE A 32 -0.070 2.816 -9.146 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -1.311 2.593 -6.631 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -2.266 3.799 -7.470 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.017 2.449 -6.985 1.00 0.00 H new ATOM 0 HG22 ILE A 32 1.766 3.782 -7.896 1.00 0.00 H new ATOM 0 HG23 ILE A 32 0.680 4.136 -6.532 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -3.160 1.558 -7.842 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -2.569 2.258 -9.368 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -1.599 1.034 -8.516 1.00 0.00 H new ATOM 486 N THR A 33 1.518 6.067 -8.791 1.00 0.00 N ATOM 487 CA THR A 33 2.772 6.598 -9.298 1.00 0.00 C ATOM 488 C THR A 33 3.948 5.917 -8.631 1.00 0.00 C ATOM 489 O THR A 33 5.003 5.748 -9.239 1.00 0.00 O ATOM 490 CB THR A 33 2.859 8.093 -9.059 1.00 0.00 C ATOM 491 OG1 THR A 33 1.582 8.638 -8.779 1.00 0.00 O ATOM 492 CG2 THR A 33 3.446 8.854 -10.227 1.00 0.00 C ATOM 0 H THR A 33 1.348 6.261 -7.804 1.00 0.00 H new ATOM 0 HA THR A 33 2.805 6.405 -10.370 1.00 0.00 H new ATOM 0 HB THR A 33 3.526 8.207 -8.204 1.00 0.00 H new ATOM 0 HG1 THR A 33 1.686 9.521 -8.367 1.00 0.00 H new ATOM 0 HG21 THR A 33 3.479 9.917 -9.989 1.00 0.00 H new ATOM 0 HG22 THR A 33 4.456 8.495 -10.425 1.00 0.00 H new ATOM 0 HG23 THR A 33 2.826 8.699 -11.110 1.00 0.00 H new ATOM 500 N ASP A 34 3.772 5.535 -7.376 1.00 0.00 N ATOM 501 CA ASP A 34 4.841 4.882 -6.653 1.00 0.00 C ATOM 502 C ASP A 34 4.312 4.000 -5.523 1.00 0.00 C ATOM 503 O ASP A 34 3.327 4.334 -4.867 1.00 0.00 O ATOM 504 CB ASP A 34 5.808 5.922 -6.085 1.00 0.00 C ATOM 505 CG ASP A 34 6.959 6.216 -7.025 1.00 0.00 C ATOM 506 OD1 ASP A 34 7.619 5.254 -7.470 1.00 0.00 O ATOM 507 OD2 ASP A 34 7.204 7.407 -7.313 1.00 0.00 O ATOM 0 H ASP A 34 2.910 5.665 -6.846 1.00 0.00 H new ATOM 0 HA ASP A 34 5.366 4.240 -7.361 1.00 0.00 H new ATOM 0 HB2 ASP A 34 5.265 6.845 -5.880 1.00 0.00 H new ATOM 0 HB3 ASP A 34 6.202 5.566 -5.133 1.00 0.00 H new ATOM 512 N ILE A 35 4.997 2.889 -5.286 1.00 0.00 N ATOM 513 CA ILE A 35 4.627 1.973 -4.215 1.00 0.00 C ATOM 514 C ILE A 35 5.881 1.399 -3.575 1.00 0.00 C ATOM 515 O ILE A 35 6.686 0.744 -4.239 1.00 0.00 O ATOM 516 CB ILE A 35 3.729 0.824 -4.709 1.00 0.00 C ATOM 517 CG1 ILE A 35 2.549 1.374 -5.508 1.00 0.00 C ATOM 518 CG2 ILE A 35 3.235 -0.002 -3.530 1.00 0.00 C ATOM 519 CD1 ILE A 35 1.605 0.302 -6.013 1.00 0.00 C ATOM 0 H ILE A 35 5.815 2.600 -5.823 1.00 0.00 H new ATOM 0 HA ILE A 35 4.056 2.544 -3.483 1.00 0.00 H new ATOM 0 HB ILE A 35 4.316 0.180 -5.363 1.00 0.00 H new ATOM 0 HG12 ILE A 35 1.992 2.072 -4.883 1.00 0.00 H new ATOM 0 HG13 ILE A 35 2.929 1.941 -6.358 1.00 0.00 H new ATOM 0 HG21 ILE A 35 2.601 -0.811 -3.893 1.00 0.00 H new ATOM 0 HG22 ILE A 35 4.088 -0.421 -2.996 1.00 0.00 H new ATOM 0 HG23 ILE A 35 2.661 0.634 -2.855 1.00 0.00 H new ATOM 0 HD11 ILE A 35 0.792 0.767 -6.571 1.00 0.00 H new ATOM 0 HD12 ILE A 35 2.147 -0.383 -6.665 1.00 0.00 H new ATOM 0 HD13 ILE A 35 1.195 -0.250 -5.167 1.00 0.00 H new ATOM 531 N GLN A 36 6.060 1.670 -2.290 1.00 0.00 N ATOM 532 CA GLN A 36 7.239 1.204 -1.575 1.00 0.00 C ATOM 533 C GLN A 36 6.904 0.109 -0.569 1.00 0.00 C ATOM 534 O GLN A 36 6.032 0.273 0.284 1.00 0.00 O ATOM 535 CB GLN A 36 7.913 2.377 -0.858 1.00 0.00 C ATOM 536 CG GLN A 36 9.430 2.325 -0.909 1.00 0.00 C ATOM 537 CD GLN A 36 10.075 3.485 -0.179 1.00 0.00 C ATOM 538 OE1 GLN A 36 9.704 3.803 0.951 1.00 0.00 O ATOM 539 NE2 GLN A 36 11.047 4.123 -0.818 1.00 0.00 N ATOM 0 H GLN A 36 5.406 2.209 -1.723 1.00 0.00 H new ATOM 0 HA GLN A 36 7.921 0.779 -2.312 1.00 0.00 H new ATOM 0 HB2 GLN A 36 7.574 3.311 -1.307 1.00 0.00 H new ATOM 0 HB3 GLN A 36 7.592 2.389 0.184 1.00 0.00 H new ATOM 0 HG2 GLN A 36 9.773 1.388 -0.470 1.00 0.00 H new ATOM 0 HG3 GLN A 36 9.756 2.328 -1.949 1.00 0.00 H new ATOM 0 HE21 GLN A 36 11.323 3.826 -1.754 1.00 0.00 H new ATOM 0 HE22 GLN A 36 11.518 4.911 -0.373 1.00 0.00 H new ATOM 548 N ILE A 37 7.631 -0.999 -0.670 1.00 0.00 N ATOM 549 CA ILE A 37 7.454 -2.128 0.237 1.00 0.00 C ATOM 550 C ILE A 37 8.754 -2.378 0.995 1.00 0.00 C ATOM 551 O ILE A 37 9.738 -2.836 0.411 1.00 0.00 O ATOM 552 CB ILE A 37 7.059 -3.412 -0.518 1.00 0.00 C ATOM 553 CG1 ILE A 37 5.905 -3.132 -1.478 1.00 0.00 C ATOM 554 CG2 ILE A 37 6.677 -4.505 0.468 1.00 0.00 C ATOM 555 CD1 ILE A 37 5.662 -4.245 -2.478 1.00 0.00 C ATOM 0 H ILE A 37 8.353 -1.140 -1.376 1.00 0.00 H new ATOM 0 HA ILE A 37 6.649 -1.877 0.927 1.00 0.00 H new ATOM 0 HB ILE A 37 7.916 -3.752 -1.100 1.00 0.00 H new ATOM 0 HG12 ILE A 37 4.995 -2.969 -0.901 1.00 0.00 H new ATOM 0 HG13 ILE A 37 6.110 -2.208 -2.019 1.00 0.00 H new ATOM 0 HG21 ILE A 37 6.400 -5.407 -0.078 1.00 0.00 H new ATOM 0 HG22 ILE A 37 7.525 -4.721 1.119 1.00 0.00 H new ATOM 0 HG23 ILE A 37 5.832 -4.172 1.071 1.00 0.00 H new ATOM 0 HD11 ILE A 37 4.828 -3.976 -3.126 1.00 0.00 H new ATOM 0 HD12 ILE A 37 6.557 -4.394 -3.081 1.00 0.00 H new ATOM 0 HD13 ILE A 37 5.426 -5.167 -1.946 1.00 0.00 H new ATOM 567 N PRO A 38 8.793 -2.060 2.302 1.00 0.00 N ATOM 568 CA PRO A 38 9.998 -2.233 3.112 1.00 0.00 C ATOM 569 C PRO A 38 10.211 -3.663 3.584 1.00 0.00 C ATOM 570 O PRO A 38 9.267 -4.360 3.957 1.00 0.00 O ATOM 571 CB PRO A 38 9.736 -1.315 4.301 1.00 0.00 C ATOM 572 CG PRO A 38 8.261 -1.365 4.477 1.00 0.00 C ATOM 573 CD PRO A 38 7.682 -1.483 3.089 1.00 0.00 C ATOM 0 HA PRO A 38 10.901 -2.001 2.547 1.00 0.00 H new ATOM 0 HB2 PRO A 38 10.256 -1.661 5.194 1.00 0.00 H new ATOM 0 HB3 PRO A 38 10.080 -0.300 4.105 1.00 0.00 H new ATOM 0 HG2 PRO A 38 7.970 -2.214 5.095 1.00 0.00 H new ATOM 0 HG3 PRO A 38 7.897 -0.468 4.977 1.00 0.00 H new ATOM 0 HD2 PRO A 38 6.802 -2.127 3.074 1.00 0.00 H new ATOM 0 HD3 PRO A 38 7.374 -0.513 2.698 1.00 0.00 H new ATOM 581 N LEU A 39 11.468 -4.081 3.576 1.00 0.00 N ATOM 582 CA LEU A 39 11.844 -5.419 4.014 1.00 0.00 C ATOM 583 C LEU A 39 12.865 -5.327 5.142 1.00 0.00 C ATOM 584 O LEU A 39 13.101 -4.248 5.687 1.00 0.00 O ATOM 585 CB LEU A 39 12.419 -6.221 2.842 1.00 0.00 C ATOM 586 CG LEU A 39 11.502 -6.322 1.617 1.00 0.00 C ATOM 587 CD1 LEU A 39 12.004 -5.424 0.495 1.00 0.00 C ATOM 588 CD2 LEU A 39 11.399 -7.764 1.138 1.00 0.00 C ATOM 0 H LEU A 39 12.253 -3.507 3.268 1.00 0.00 H new ATOM 0 HA LEU A 39 10.956 -5.933 4.381 1.00 0.00 H new ATOM 0 HB2 LEU A 39 13.361 -5.765 2.536 1.00 0.00 H new ATOM 0 HB3 LEU A 39 12.650 -7.228 3.189 1.00 0.00 H new ATOM 0 HG LEU A 39 10.507 -5.985 1.909 1.00 0.00 H new ATOM 0 HD11 LEU A 39 11.340 -5.510 -0.365 1.00 0.00 H new ATOM 0 HD12 LEU A 39 12.022 -4.389 0.837 1.00 0.00 H new ATOM 0 HD13 LEU A 39 13.010 -5.729 0.208 1.00 0.00 H new ATOM 0 HD21 LEU A 39 10.744 -7.813 0.268 1.00 0.00 H new ATOM 0 HD22 LEU A 39 12.390 -8.129 0.867 1.00 0.00 H new ATOM 0 HD23 LEU A 39 10.990 -8.384 1.936 1.00 0.00 H new ATOM 600 N ASP A 40 13.467 -6.455 5.495 1.00 0.00 N ATOM 601 CA ASP A 40 14.457 -6.478 6.565 1.00 0.00 C ATOM 602 C ASP A 40 15.870 -6.374 5.997 1.00 0.00 C ATOM 603 O ASP A 40 16.162 -6.924 4.937 1.00 0.00 O ATOM 604 CB ASP A 40 14.319 -7.762 7.387 1.00 0.00 C ATOM 605 CG ASP A 40 13.070 -7.773 8.246 1.00 0.00 C ATOM 606 OD1 ASP A 40 12.004 -7.348 7.750 1.00 0.00 O ATOM 607 OD2 ASP A 40 13.155 -8.208 9.414 1.00 0.00 O ATOM 0 H ASP A 40 13.289 -7.360 5.060 1.00 0.00 H new ATOM 0 HA ASP A 40 14.279 -5.619 7.212 1.00 0.00 H new ATOM 0 HB2 ASP A 40 14.300 -8.619 6.714 1.00 0.00 H new ATOM 0 HB3 ASP A 40 15.195 -7.876 8.025 1.00 0.00 H new ATOM 612 N TYR A 41 16.745 -5.675 6.713 1.00 0.00 N ATOM 613 CA TYR A 41 18.131 -5.514 6.277 1.00 0.00 C ATOM 614 C TYR A 41 18.992 -6.662 6.798 1.00 0.00 C ATOM 615 O TYR A 41 20.109 -6.457 7.273 1.00 0.00 O ATOM 616 CB TYR A 41 18.697 -4.172 6.757 1.00 0.00 C ATOM 617 CG TYR A 41 18.266 -3.785 8.157 1.00 0.00 C ATOM 618 CD1 TYR A 41 18.270 -4.715 9.190 1.00 0.00 C ATOM 619 CD2 TYR A 41 17.856 -2.489 8.445 1.00 0.00 C ATOM 620 CE1 TYR A 41 17.878 -4.365 10.468 1.00 0.00 C ATOM 621 CE2 TYR A 41 17.462 -2.131 9.722 1.00 0.00 C ATOM 622 CZ TYR A 41 17.475 -3.073 10.729 1.00 0.00 C ATOM 623 OH TYR A 41 17.081 -2.717 12.003 1.00 0.00 O ATOM 0 H TYR A 41 16.522 -5.212 7.594 1.00 0.00 H new ATOM 0 HA TYR A 41 18.148 -5.529 5.187 1.00 0.00 H new ATOM 0 HB2 TYR A 41 19.786 -4.216 6.722 1.00 0.00 H new ATOM 0 HB3 TYR A 41 18.387 -3.390 6.064 1.00 0.00 H new ATOM 0 HD1 TYR A 41 18.585 -5.729 8.990 1.00 0.00 H new ATOM 0 HD2 TYR A 41 17.845 -1.749 7.659 1.00 0.00 H new ATOM 0 HE1 TYR A 41 17.887 -5.101 11.259 1.00 0.00 H new ATOM 0 HE2 TYR A 41 17.146 -1.119 9.929 1.00 0.00 H new ATOM 0 HH TYR A 41 16.829 -1.770 12.015 1.00 0.00 H new ATOM 633 N GLU A 42 18.451 -7.873 6.706 1.00 0.00 N ATOM 634 CA GLU A 42 19.137 -9.073 7.162 1.00 0.00 C ATOM 635 C GLU A 42 18.362 -10.299 6.704 1.00 0.00 C ATOM 636 O GLU A 42 18.939 -11.291 6.259 1.00 0.00 O ATOM 637 CB GLU A 42 19.259 -9.065 8.689 1.00 0.00 C ATOM 638 CG GLU A 42 20.542 -9.697 9.203 1.00 0.00 C ATOM 639 CD GLU A 42 21.692 -8.711 9.278 1.00 0.00 C ATOM 640 OE1 GLU A 42 22.074 -8.163 8.223 1.00 0.00 O ATOM 641 OE2 GLU A 42 22.214 -8.490 10.391 1.00 0.00 O ATOM 0 H GLU A 42 17.526 -8.048 6.314 1.00 0.00 H new ATOM 0 HA GLU A 42 20.140 -9.099 6.736 1.00 0.00 H new ATOM 0 HB2 GLU A 42 19.204 -8.036 9.044 1.00 0.00 H new ATOM 0 HB3 GLU A 42 18.407 -9.595 9.115 1.00 0.00 H new ATOM 0 HG2 GLU A 42 20.364 -10.117 10.193 1.00 0.00 H new ATOM 0 HG3 GLU A 42 20.821 -10.525 8.551 1.00 0.00 H new ATOM 648 N THR A 43 17.043 -10.202 6.802 1.00 0.00 N ATOM 649 CA THR A 43 16.151 -11.273 6.387 1.00 0.00 C ATOM 650 C THR A 43 15.596 -10.974 4.990 1.00 0.00 C ATOM 651 O THR A 43 15.283 -11.886 4.224 1.00 0.00 O ATOM 652 CB THR A 43 15.010 -11.424 7.402 1.00 0.00 C ATOM 653 OG1 THR A 43 15.445 -12.138 8.546 1.00 0.00 O ATOM 654 CG2 THR A 43 13.800 -12.141 6.852 1.00 0.00 C ATOM 0 H THR A 43 16.564 -9.381 7.171 1.00 0.00 H new ATOM 0 HA THR A 43 16.705 -12.211 6.347 1.00 0.00 H new ATOM 0 HB THR A 43 14.721 -10.404 7.655 1.00 0.00 H new ATOM 0 HG1 THR A 43 14.703 -12.222 9.181 1.00 0.00 H new ATOM 0 HG21 THR A 43 13.035 -12.210 7.626 1.00 0.00 H new ATOM 0 HG22 THR A 43 13.405 -11.588 6.000 1.00 0.00 H new ATOM 0 HG23 THR A 43 14.085 -13.143 6.533 1.00 0.00 H new ATOM 662 N GLU A 44 15.488 -9.683 4.672 1.00 0.00 N ATOM 663 CA GLU A 44 14.990 -9.240 3.373 1.00 0.00 C ATOM 664 C GLU A 44 13.549 -9.686 3.137 1.00 0.00 C ATOM 665 O GLU A 44 13.138 -9.891 1.995 1.00 0.00 O ATOM 666 CB GLU A 44 15.880 -9.767 2.249 1.00 0.00 C ATOM 667 CG GLU A 44 17.368 -9.551 2.490 1.00 0.00 C ATOM 668 CD GLU A 44 18.228 -10.594 1.802 1.00 0.00 C ATOM 669 OE1 GLU A 44 17.791 -11.760 1.715 1.00 0.00 O ATOM 670 OE2 GLU A 44 19.339 -10.243 1.350 1.00 0.00 O ATOM 0 H GLU A 44 15.741 -8.923 5.303 1.00 0.00 H new ATOM 0 HA GLU A 44 15.013 -8.150 3.374 1.00 0.00 H new ATOM 0 HB2 GLU A 44 15.693 -10.833 2.120 1.00 0.00 H new ATOM 0 HB3 GLU A 44 15.598 -9.279 1.316 1.00 0.00 H new ATOM 0 HG2 GLU A 44 17.650 -8.560 2.133 1.00 0.00 H new ATOM 0 HG3 GLU A 44 17.566 -9.572 3.562 1.00 0.00 H new ATOM 677 N LYS A 45 12.783 -9.827 4.214 1.00 0.00 N ATOM 678 CA LYS A 45 11.387 -10.242 4.099 1.00 0.00 C ATOM 679 C LYS A 45 10.460 -9.275 4.825 1.00 0.00 C ATOM 680 O LYS A 45 10.505 -9.151 6.047 1.00 0.00 O ATOM 681 CB LYS A 45 11.195 -11.655 4.654 1.00 0.00 C ATOM 682 CG LYS A 45 12.000 -12.709 3.910 1.00 0.00 C ATOM 683 CD LYS A 45 11.726 -14.106 4.439 1.00 0.00 C ATOM 684 CE LYS A 45 12.679 -15.125 3.834 1.00 0.00 C ATOM 685 NZ LYS A 45 12.003 -16.423 3.561 1.00 0.00 N ATOM 0 H LYS A 45 13.100 -9.662 5.169 1.00 0.00 H new ATOM 0 HA LYS A 45 11.131 -10.237 3.039 1.00 0.00 H new ATOM 0 HB2 LYS A 45 11.480 -11.666 5.706 1.00 0.00 H new ATOM 0 HB3 LYS A 45 10.138 -11.916 4.607 1.00 0.00 H new ATOM 0 HG2 LYS A 45 11.758 -12.669 2.848 1.00 0.00 H new ATOM 0 HG3 LYS A 45 13.063 -12.487 4.003 1.00 0.00 H new ATOM 0 HD2 LYS A 45 11.826 -14.112 5.524 1.00 0.00 H new ATOM 0 HD3 LYS A 45 10.698 -14.388 4.212 1.00 0.00 H new ATOM 0 HE2 LYS A 45 13.093 -14.729 2.907 1.00 0.00 H new ATOM 0 HE3 LYS A 45 13.516 -15.287 4.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 12.686 -17.090 3.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 11.630 -16.814 4.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 11.220 -16.273 2.893 1.00 0.00 H new ATOM 699 N HIS A 46 9.613 -8.594 4.060 1.00 0.00 N ATOM 700 CA HIS A 46 8.666 -7.643 4.627 1.00 0.00 C ATOM 701 C HIS A 46 7.773 -8.319 5.660 1.00 0.00 C ATOM 702 O HIS A 46 7.907 -9.514 5.925 1.00 0.00 O ATOM 703 CB HIS A 46 7.808 -7.023 3.523 1.00 0.00 C ATOM 704 CG HIS A 46 7.025 -8.026 2.738 1.00 0.00 C ATOM 705 ND1 HIS A 46 5.753 -8.425 3.084 1.00 0.00 N ATOM 706 CD2 HIS A 46 7.338 -8.708 1.610 1.00 0.00 C ATOM 707 CE1 HIS A 46 5.316 -9.308 2.205 1.00 0.00 C ATOM 708 NE2 HIS A 46 6.258 -9.497 1.300 1.00 0.00 N ATOM 0 H HIS A 46 9.564 -8.684 3.045 1.00 0.00 H new ATOM 0 HA HIS A 46 9.233 -6.854 5.121 1.00 0.00 H new ATOM 0 HB2 HIS A 46 7.119 -6.306 3.969 1.00 0.00 H new ATOM 0 HB3 HIS A 46 8.453 -6.465 2.844 1.00 0.00 H new ATOM 0 HD2 HIS A 46 8.264 -8.643 1.058 1.00 0.00 H new ATOM 0 HE1 HIS A 46 4.351 -9.793 2.223 1.00 0.00 H new ATOM 0 HE2 HIS A 46 6.194 -10.127 0.500 1.00 0.00 H new ATOM 717 N ARG A 47 6.855 -7.549 6.227 1.00 0.00 N ATOM 718 CA ARG A 47 5.924 -8.073 7.220 1.00 0.00 C ATOM 719 C ARG A 47 4.520 -8.116 6.632 1.00 0.00 C ATOM 720 O ARG A 47 3.772 -9.071 6.837 1.00 0.00 O ATOM 721 CB ARG A 47 5.945 -7.200 8.479 1.00 0.00 C ATOM 722 CG ARG A 47 6.342 -7.950 9.744 1.00 0.00 C ATOM 723 CD ARG A 47 5.326 -9.021 10.114 1.00 0.00 C ATOM 724 NE ARG A 47 5.020 -9.009 11.542 1.00 0.00 N ATOM 725 CZ ARG A 47 4.398 -8.004 12.156 1.00 0.00 C ATOM 726 NH1 ARG A 47 4.003 -6.941 11.469 1.00 0.00 N ATOM 727 NH2 ARG A 47 4.160 -8.066 13.460 1.00 0.00 N ATOM 0 H ARG A 47 6.734 -6.558 6.017 1.00 0.00 H new ATOM 0 HA ARG A 47 6.227 -9.083 7.495 1.00 0.00 H new ATOM 0 HB2 ARG A 47 6.640 -6.374 8.325 1.00 0.00 H new ATOM 0 HB3 ARG A 47 4.957 -6.763 8.623 1.00 0.00 H new ATOM 0 HG2 ARG A 47 7.319 -8.411 9.600 1.00 0.00 H new ATOM 0 HG3 ARG A 47 6.441 -7.244 10.568 1.00 0.00 H new ATOM 0 HD2 ARG A 47 4.410 -8.865 9.545 1.00 0.00 H new ATOM 0 HD3 ARG A 47 5.712 -10.001 9.833 1.00 0.00 H new ATOM 0 HE ARG A 47 5.298 -9.816 12.101 1.00 0.00 H new ATOM 0 HH11 ARG A 47 4.175 -6.890 10.465 1.00 0.00 H new ATOM 0 HH12 ARG A 47 3.527 -6.174 11.945 1.00 0.00 H new ATOM 0 HH21 ARG A 47 4.454 -8.884 13.994 1.00 0.00 H new ATOM 0 HH22 ARG A 47 3.684 -7.295 13.929 1.00 0.00 H new ATOM 741 N GLY A 48 4.182 -7.067 5.895 1.00 0.00 N ATOM 742 CA GLY A 48 2.880 -6.977 5.271 1.00 0.00 C ATOM 743 C GLY A 48 2.368 -5.559 5.242 1.00 0.00 C ATOM 744 O GLY A 48 1.231 -5.302 5.631 1.00 0.00 O ATOM 0 H GLY A 48 4.794 -6.270 5.718 1.00 0.00 H new ATOM 0 HA2 GLY A 48 2.938 -7.363 4.253 1.00 0.00 H new ATOM 0 HA3 GLY A 48 2.174 -7.607 5.812 1.00 0.00 H new ATOM 748 N PHE A 49 3.202 -4.636 4.780 1.00 0.00 N ATOM 749 CA PHE A 49 2.803 -3.234 4.712 1.00 0.00 C ATOM 750 C PHE A 49 3.525 -2.504 3.596 1.00 0.00 C ATOM 751 O PHE A 49 4.645 -2.859 3.232 1.00 0.00 O ATOM 752 CB PHE A 49 3.081 -2.549 6.048 1.00 0.00 C ATOM 753 CG PHE A 49 2.626 -3.373 7.207 1.00 0.00 C ATOM 754 CD1 PHE A 49 1.282 -3.627 7.389 1.00 0.00 C ATOM 755 CD2 PHE A 49 3.537 -3.917 8.093 1.00 0.00 C ATOM 756 CE1 PHE A 49 0.848 -4.408 8.434 1.00 0.00 C ATOM 757 CE2 PHE A 49 3.112 -4.701 9.143 1.00 0.00 C ATOM 758 CZ PHE A 49 1.762 -4.949 9.317 1.00 0.00 C ATOM 0 H PHE A 49 4.148 -4.828 4.450 1.00 0.00 H new ATOM 0 HA PHE A 49 1.735 -3.199 4.499 1.00 0.00 H new ATOM 0 HB2 PHE A 49 4.150 -2.354 6.140 1.00 0.00 H new ATOM 0 HB3 PHE A 49 2.578 -1.582 6.071 1.00 0.00 H new ATOM 0 HD1 PHE A 49 0.562 -3.207 6.702 1.00 0.00 H new ATOM 0 HD2 PHE A 49 4.592 -3.726 7.961 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -0.207 -4.598 8.564 1.00 0.00 H new ATOM 0 HE2 PHE A 49 3.832 -5.122 9.830 1.00 0.00 H new ATOM 0 HZ PHE A 49 1.425 -5.563 10.139 1.00 0.00 H new ATOM 768 N ALA A 50 2.879 -1.480 3.057 1.00 0.00 N ATOM 769 CA ALA A 50 3.478 -0.703 1.981 1.00 0.00 C ATOM 770 C ALA A 50 2.835 0.670 1.845 1.00 0.00 C ATOM 771 O ALA A 50 1.854 0.984 2.521 1.00 0.00 O ATOM 772 CB ALA A 50 3.378 -1.466 0.668 1.00 0.00 C ATOM 0 H ALA A 50 1.950 -1.170 3.343 1.00 0.00 H new ATOM 0 HA ALA A 50 4.528 -0.548 2.230 1.00 0.00 H new ATOM 0 HB1 ALA A 50 3.829 -0.877 -0.131 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.904 -2.416 0.759 1.00 0.00 H new ATOM 0 HB3 ALA A 50 2.330 -1.652 0.434 1.00 0.00 H new ATOM 778 N PHE A 51 3.398 1.479 0.956 1.00 0.00 N ATOM 779 CA PHE A 51 2.890 2.820 0.705 1.00 0.00 C ATOM 780 C PHE A 51 2.414 2.941 -0.738 1.00 0.00 C ATOM 781 O PHE A 51 3.119 2.550 -1.663 1.00 0.00 O ATOM 782 CB PHE A 51 3.976 3.864 0.979 1.00 0.00 C ATOM 783 CG PHE A 51 4.198 4.144 2.440 1.00 0.00 C ATOM 784 CD1 PHE A 51 4.775 3.190 3.265 1.00 0.00 C ATOM 785 CD2 PHE A 51 3.833 5.364 2.987 1.00 0.00 C ATOM 786 CE1 PHE A 51 4.986 3.450 4.609 1.00 0.00 C ATOM 787 CE2 PHE A 51 4.038 5.628 4.328 1.00 0.00 C ATOM 788 CZ PHE A 51 4.616 4.670 5.139 1.00 0.00 C ATOM 0 H PHE A 51 4.211 1.227 0.394 1.00 0.00 H new ATOM 0 HA PHE A 51 2.050 3.000 1.376 1.00 0.00 H new ATOM 0 HB2 PHE A 51 4.913 3.524 0.538 1.00 0.00 H new ATOM 0 HB3 PHE A 51 3.707 4.794 0.478 1.00 0.00 H new ATOM 0 HD1 PHE A 51 5.063 2.233 2.855 1.00 0.00 H new ATOM 0 HD2 PHE A 51 3.383 6.118 2.358 1.00 0.00 H new ATOM 0 HE1 PHE A 51 5.439 2.700 5.241 1.00 0.00 H new ATOM 0 HE2 PHE A 51 3.747 6.582 4.742 1.00 0.00 H new ATOM 0 HZ PHE A 51 4.778 4.875 6.187 1.00 0.00 H new ATOM 798 N VAL A 52 1.215 3.479 -0.924 1.00 0.00 N ATOM 799 CA VAL A 52 0.652 3.646 -2.260 1.00 0.00 C ATOM 800 C VAL A 52 0.642 5.122 -2.645 1.00 0.00 C ATOM 801 O VAL A 52 0.151 5.960 -1.889 1.00 0.00 O ATOM 802 CB VAL A 52 -0.786 3.087 -2.349 1.00 0.00 C ATOM 803 CG1 VAL A 52 -1.164 2.818 -3.796 1.00 0.00 C ATOM 804 CG2 VAL A 52 -0.939 1.817 -1.513 1.00 0.00 C ATOM 0 H VAL A 52 0.614 3.807 -0.168 1.00 0.00 H new ATOM 0 HA VAL A 52 1.281 3.085 -2.951 1.00 0.00 H new ATOM 0 HB VAL A 52 -1.463 3.839 -1.944 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.180 2.425 -3.840 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -1.109 3.746 -4.365 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -0.474 2.090 -4.223 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -1.961 1.448 -1.596 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -0.248 1.057 -1.877 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -0.717 2.040 -0.469 1.00 0.00 H new ATOM 814 N GLU A 53 1.194 5.439 -3.815 1.00 0.00 N ATOM 815 CA GLU A 53 1.252 6.816 -4.281 1.00 0.00 C ATOM 816 C GLU A 53 0.426 6.967 -5.547 1.00 0.00 C ATOM 817 O GLU A 53 0.469 6.116 -6.432 1.00 0.00 O ATOM 818 CB GLU A 53 2.710 7.225 -4.523 1.00 0.00 C ATOM 819 CG GLU A 53 2.879 8.485 -5.356 1.00 0.00 C ATOM 820 CD GLU A 53 3.840 9.478 -4.733 1.00 0.00 C ATOM 821 OE1 GLU A 53 3.477 10.095 -3.709 1.00 0.00 O ATOM 822 OE2 GLU A 53 4.955 9.645 -5.272 1.00 0.00 O ATOM 0 H GLU A 53 1.606 4.759 -4.454 1.00 0.00 H new ATOM 0 HA GLU A 53 0.835 7.475 -3.519 1.00 0.00 H new ATOM 0 HB2 GLU A 53 3.198 7.373 -3.560 1.00 0.00 H new ATOM 0 HB3 GLU A 53 3.227 6.404 -5.019 1.00 0.00 H new ATOM 0 HG2 GLU A 53 3.238 8.213 -6.349 1.00 0.00 H new ATOM 0 HG3 GLU A 53 1.907 8.961 -5.488 1.00 0.00 H new ATOM 829 N PHE A 54 -0.337 8.047 -5.620 1.00 0.00 N ATOM 830 CA PHE A 54 -1.185 8.302 -6.765 1.00 0.00 C ATOM 831 C PHE A 54 -0.685 9.490 -7.560 1.00 0.00 C ATOM 832 O PHE A 54 -0.027 10.385 -7.025 1.00 0.00 O ATOM 833 CB PHE A 54 -2.615 8.560 -6.306 1.00 0.00 C ATOM 834 CG PHE A 54 -3.357 7.310 -5.942 1.00 0.00 C ATOM 835 CD1 PHE A 54 -2.854 6.438 -4.988 1.00 0.00 C ATOM 836 CD2 PHE A 54 -4.554 7.004 -6.563 1.00 0.00 C ATOM 837 CE1 PHE A 54 -3.538 5.284 -4.661 1.00 0.00 C ATOM 838 CE2 PHE A 54 -5.241 5.852 -6.239 1.00 0.00 C ATOM 839 CZ PHE A 54 -4.731 4.991 -5.288 1.00 0.00 C ATOM 0 H PHE A 54 -0.383 8.762 -4.894 1.00 0.00 H new ATOM 0 HA PHE A 54 -1.160 7.422 -7.407 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -2.597 9.227 -5.444 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -3.156 9.077 -7.099 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -1.919 6.664 -4.497 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -4.955 7.674 -7.309 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -3.139 4.612 -3.915 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -6.176 5.624 -6.729 1.00 0.00 H new ATOM 0 HZ PHE A 54 -5.266 4.088 -5.035 1.00 0.00 H new ATOM 849 N GLU A 55 -1.029 9.506 -8.834 1.00 0.00 N ATOM 850 CA GLU A 55 -0.648 10.598 -9.712 1.00 0.00 C ATOM 851 C GLU A 55 -1.465 11.825 -9.355 1.00 0.00 C ATOM 852 O GLU A 55 -1.022 12.963 -9.514 1.00 0.00 O ATOM 853 CB GLU A 55 -0.875 10.208 -11.175 1.00 0.00 C ATOM 854 CG GLU A 55 -0.078 11.048 -12.159 1.00 0.00 C ATOM 855 CD GLU A 55 0.617 10.211 -13.214 1.00 0.00 C ATOM 856 OE1 GLU A 55 -0.045 9.335 -13.807 1.00 0.00 O ATOM 857 OE2 GLU A 55 1.824 10.432 -13.446 1.00 0.00 O ATOM 0 H GLU A 55 -1.574 8.772 -9.286 1.00 0.00 H new ATOM 0 HA GLU A 55 0.412 10.819 -9.583 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -0.610 9.159 -11.308 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -1.936 10.301 -11.407 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -0.745 11.759 -12.647 1.00 0.00 H new ATOM 0 HG3 GLU A 55 0.666 11.630 -11.615 1.00 0.00 H new ATOM 864 N LEU A 56 -2.670 11.567 -8.867 1.00 0.00 N ATOM 865 CA LEU A 56 -3.586 12.619 -8.468 1.00 0.00 C ATOM 866 C LEU A 56 -3.822 12.571 -6.963 1.00 0.00 C ATOM 867 O LEU A 56 -4.274 11.561 -6.426 1.00 0.00 O ATOM 868 CB LEU A 56 -4.908 12.452 -9.210 1.00 0.00 C ATOM 869 CG LEU A 56 -4.815 12.575 -10.731 1.00 0.00 C ATOM 870 CD1 LEU A 56 -6.135 12.180 -11.383 1.00 0.00 C ATOM 871 CD2 LEU A 56 -4.414 13.991 -11.126 1.00 0.00 C ATOM 0 H LEU A 56 -3.037 10.624 -8.738 1.00 0.00 H new ATOM 0 HA LEU A 56 -3.150 13.586 -8.720 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -5.324 11.475 -8.964 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -5.611 13.200 -8.842 1.00 0.00 H new ATOM 0 HG LEU A 56 -4.045 11.891 -11.088 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -6.049 12.274 -12.465 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -6.373 11.148 -11.126 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -6.929 12.835 -11.024 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -4.352 14.062 -12.212 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -5.159 14.696 -10.758 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -3.443 14.229 -10.691 1.00 0.00 H new ATOM 883 N ALA A 57 -3.504 13.666 -6.284 1.00 0.00 N ATOM 884 CA ALA A 57 -3.674 13.742 -4.841 1.00 0.00 C ATOM 885 C ALA A 57 -5.120 13.464 -4.438 1.00 0.00 C ATOM 886 O ALA A 57 -5.379 12.845 -3.407 1.00 0.00 O ATOM 887 CB ALA A 57 -3.225 15.104 -4.331 1.00 0.00 C ATOM 0 H ALA A 57 -3.127 14.513 -6.710 1.00 0.00 H new ATOM 0 HA ALA A 57 -3.051 12.973 -4.384 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -3.357 15.149 -3.250 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -2.173 15.255 -4.575 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -3.823 15.884 -4.802 1.00 0.00 H new ATOM 893 N GLU A 58 -6.059 13.931 -5.255 1.00 0.00 N ATOM 894 CA GLU A 58 -7.478 13.733 -4.976 1.00 0.00 C ATOM 895 C GLU A 58 -7.869 12.265 -5.128 1.00 0.00 C ATOM 896 O GLU A 58 -8.762 11.776 -4.438 1.00 0.00 O ATOM 897 CB GLU A 58 -8.326 14.601 -5.910 1.00 0.00 C ATOM 898 CG GLU A 58 -9.564 15.180 -5.244 1.00 0.00 C ATOM 899 CD GLU A 58 -9.473 16.680 -5.042 1.00 0.00 C ATOM 900 OE1 GLU A 58 -8.366 17.173 -4.743 1.00 0.00 O ATOM 901 OE2 GLU A 58 -10.510 17.362 -5.183 1.00 0.00 O ATOM 0 H GLU A 58 -5.864 14.447 -6.113 1.00 0.00 H new ATOM 0 HA GLU A 58 -7.664 14.030 -3.944 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -7.712 15.418 -6.290 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -8.631 14.004 -6.770 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -10.439 14.952 -5.853 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -9.712 14.696 -4.279 1.00 0.00 H new ATOM 908 N ASP A 59 -7.197 11.573 -6.040 1.00 0.00 N ATOM 909 CA ASP A 59 -7.473 10.164 -6.294 1.00 0.00 C ATOM 910 C ASP A 59 -7.069 9.296 -5.110 1.00 0.00 C ATOM 911 O ASP A 59 -7.733 8.307 -4.799 1.00 0.00 O ATOM 912 CB ASP A 59 -6.754 9.695 -7.555 1.00 0.00 C ATOM 913 CG ASP A 59 -7.431 10.193 -8.817 1.00 0.00 C ATOM 914 OD1 ASP A 59 -8.034 11.285 -8.770 1.00 0.00 O ATOM 915 OD2 ASP A 59 -7.355 9.495 -9.849 1.00 0.00 O ATOM 0 H ASP A 59 -6.454 11.966 -6.618 1.00 0.00 H new ATOM 0 HA ASP A 59 -8.548 10.061 -6.439 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -5.722 10.046 -7.535 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -6.720 8.606 -7.568 1.00 0.00 H new ATOM 920 N ALA A 60 -5.966 9.656 -4.466 1.00 0.00 N ATOM 921 CA ALA A 60 -5.469 8.893 -3.329 1.00 0.00 C ATOM 922 C ALA A 60 -6.520 8.812 -2.224 1.00 0.00 C ATOM 923 O ALA A 60 -6.756 7.743 -1.662 1.00 0.00 O ATOM 924 CB ALA A 60 -4.177 9.507 -2.806 1.00 0.00 C ATOM 0 H ALA A 60 -5.400 10.469 -4.711 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.258 7.877 -3.662 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.816 8.927 -1.956 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -3.425 9.500 -3.595 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -4.363 10.534 -2.491 1.00 0.00 H new ATOM 930 N ALA A 61 -7.167 9.940 -1.933 1.00 0.00 N ATOM 931 CA ALA A 61 -8.205 9.984 -0.905 1.00 0.00 C ATOM 932 C ALA A 61 -9.250 8.905 -1.160 1.00 0.00 C ATOM 933 O ALA A 61 -9.815 8.335 -0.226 1.00 0.00 O ATOM 934 CB ALA A 61 -8.871 11.354 -0.877 1.00 0.00 C ATOM 0 H ALA A 61 -6.991 10.833 -2.393 1.00 0.00 H new ATOM 0 HA ALA A 61 -7.737 9.801 0.062 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -9.641 11.368 -0.106 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -8.124 12.117 -0.658 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -9.325 11.558 -1.847 1.00 0.00 H new ATOM 940 N ALA A 62 -9.495 8.629 -2.433 1.00 0.00 N ATOM 941 CA ALA A 62 -10.467 7.612 -2.818 1.00 0.00 C ATOM 942 C ALA A 62 -9.966 6.225 -2.437 1.00 0.00 C ATOM 943 O ALA A 62 -10.703 5.430 -1.860 1.00 0.00 O ATOM 944 CB ALA A 62 -10.748 7.682 -4.311 1.00 0.00 C ATOM 0 H ALA A 62 -9.036 9.093 -3.217 1.00 0.00 H new ATOM 0 HA ALA A 62 -11.396 7.804 -2.282 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -11.475 6.916 -4.581 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -11.147 8.665 -4.560 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -9.823 7.515 -4.863 1.00 0.00 H new ATOM 950 N ALA A 63 -8.693 5.955 -2.729 1.00 0.00 N ATOM 951 CA ALA A 63 -8.087 4.675 -2.378 1.00 0.00 C ATOM 952 C ALA A 63 -8.085 4.531 -0.866 1.00 0.00 C ATOM 953 O ALA A 63 -8.266 3.444 -0.321 1.00 0.00 O ATOM 954 CB ALA A 63 -6.673 4.587 -2.931 1.00 0.00 C ATOM 0 H ALA A 63 -8.066 6.604 -3.205 1.00 0.00 H new ATOM 0 HA ALA A 63 -8.666 3.862 -2.817 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -6.236 3.626 -2.660 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -6.700 4.680 -4.017 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -6.068 5.392 -2.513 1.00 0.00 H new ATOM 960 N ILE A 64 -7.902 5.668 -0.206 1.00 0.00 N ATOM 961 CA ILE A 64 -7.897 5.743 1.243 1.00 0.00 C ATOM 962 C ILE A 64 -9.268 5.368 1.791 1.00 0.00 C ATOM 963 O ILE A 64 -9.387 4.519 2.668 1.00 0.00 O ATOM 964 CB ILE A 64 -7.555 7.181 1.688 1.00 0.00 C ATOM 965 CG1 ILE A 64 -6.107 7.520 1.332 1.00 0.00 C ATOM 966 CG2 ILE A 64 -7.788 7.388 3.187 1.00 0.00 C ATOM 967 CD1 ILE A 64 -5.753 8.971 1.577 1.00 0.00 C ATOM 0 H ILE A 64 -7.753 6.566 -0.666 1.00 0.00 H new ATOM 0 HA ILE A 64 -7.150 5.049 1.627 1.00 0.00 H new ATOM 0 HB ILE A 64 -8.225 7.853 1.152 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -5.439 6.887 1.916 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -5.934 7.283 0.282 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -7.535 8.413 3.456 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -8.836 7.199 3.422 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -7.160 6.699 3.751 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -4.712 9.143 1.304 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -6.397 9.610 0.973 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -5.895 9.207 2.632 1.00 0.00 H new ATOM 979 N ASP A 65 -10.296 6.027 1.273 1.00 0.00 N ATOM 980 CA ASP A 65 -11.663 5.786 1.713 1.00 0.00 C ATOM 981 C ASP A 65 -12.239 4.512 1.100 1.00 0.00 C ATOM 982 O ASP A 65 -13.263 4.007 1.560 1.00 0.00 O ATOM 983 CB ASP A 65 -12.546 6.981 1.357 1.00 0.00 C ATOM 984 CG ASP A 65 -12.316 8.164 2.277 1.00 0.00 C ATOM 985 OD1 ASP A 65 -11.980 7.941 3.458 1.00 0.00 O ATOM 986 OD2 ASP A 65 -12.472 9.316 1.816 1.00 0.00 O ATOM 0 H ASP A 65 -10.208 6.736 0.545 1.00 0.00 H new ATOM 0 HA ASP A 65 -11.644 5.655 2.795 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -12.349 7.281 0.328 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -13.593 6.683 1.407 1.00 0.00 H new ATOM 991 N ASN A 66 -11.588 3.997 0.062 1.00 0.00 N ATOM 992 CA ASN A 66 -12.062 2.780 -0.597 1.00 0.00 C ATOM 993 C ASN A 66 -11.362 1.539 -0.050 1.00 0.00 C ATOM 994 O ASN A 66 -12.012 0.546 0.275 1.00 0.00 O ATOM 995 CB ASN A 66 -11.846 2.856 -2.116 1.00 0.00 C ATOM 996 CG ASN A 66 -12.941 3.626 -2.825 1.00 0.00 C ATOM 997 OD1 ASN A 66 -12.674 4.584 -3.551 1.00 0.00 O ATOM 998 ND2 ASN A 66 -14.186 3.207 -2.622 1.00 0.00 N ATOM 0 H ASN A 66 -10.740 4.396 -0.339 1.00 0.00 H new ATOM 0 HA ASN A 66 -13.129 2.701 -0.389 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -10.885 3.329 -2.319 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -11.796 1.846 -2.523 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -14.965 3.684 -3.076 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -14.362 2.409 -2.012 1.00 0.00 H new ATOM 1005 N MET A 67 -10.037 1.593 0.030 1.00 0.00 N ATOM 1006 CA MET A 67 -9.255 0.458 0.514 1.00 0.00 C ATOM 1007 C MET A 67 -9.376 0.278 2.028 1.00 0.00 C ATOM 1008 O MET A 67 -9.242 -0.836 2.535 1.00 0.00 O ATOM 1009 CB MET A 67 -7.782 0.620 0.130 1.00 0.00 C ATOM 1010 CG MET A 67 -7.106 -0.686 -0.257 1.00 0.00 C ATOM 1011 SD MET A 67 -7.567 -1.254 -1.904 1.00 0.00 S ATOM 1012 CE MET A 67 -8.966 -2.303 -1.524 1.00 0.00 C ATOM 0 H MET A 67 -9.482 2.407 -0.233 1.00 0.00 H new ATOM 0 HA MET A 67 -9.661 -0.435 0.038 1.00 0.00 H new ATOM 0 HB2 MET A 67 -7.707 1.319 -0.703 1.00 0.00 H new ATOM 0 HB3 MET A 67 -7.244 1.064 0.967 1.00 0.00 H new ATOM 0 HG2 MET A 67 -6.025 -0.557 -0.212 1.00 0.00 H new ATOM 0 HG3 MET A 67 -7.365 -1.453 0.472 1.00 0.00 H new ATOM 0 HE1 MET A 67 -8.790 -3.303 -1.922 1.00 0.00 H new ATOM 0 HE2 MET A 67 -9.095 -2.360 -0.443 1.00 0.00 H new ATOM 0 HE3 MET A 67 -9.866 -1.886 -1.975 1.00 0.00 H new ATOM 1022 N ASN A 68 -9.620 1.370 2.747 1.00 0.00 N ATOM 1023 CA ASN A 68 -9.746 1.305 4.195 1.00 0.00 C ATOM 1024 C ASN A 68 -10.896 0.400 4.590 1.00 0.00 C ATOM 1025 O ASN A 68 -12.041 0.616 4.195 1.00 0.00 O ATOM 1026 CB ASN A 68 -9.949 2.700 4.794 1.00 0.00 C ATOM 1027 CG ASN A 68 -9.624 2.752 6.275 1.00 0.00 C ATOM 1028 OD1 ASN A 68 -8.665 3.406 6.685 1.00 0.00 O ATOM 1029 ND2 ASN A 68 -10.424 2.073 7.089 1.00 0.00 N ATOM 0 H ASN A 68 -9.733 2.303 2.352 1.00 0.00 H new ATOM 0 HA ASN A 68 -8.818 0.892 4.591 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -9.320 3.415 4.263 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -10.983 3.010 4.642 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -10.254 2.081 8.095 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -11.208 1.543 6.708 1.00 0.00 H new ATOM 1036 N GLU A 69 -10.572 -0.620 5.367 1.00 0.00 N ATOM 1037 CA GLU A 69 -11.562 -1.583 5.827 1.00 0.00 C ATOM 1038 C GLU A 69 -12.113 -2.385 4.656 1.00 0.00 C ATOM 1039 O GLU A 69 -13.325 -2.448 4.444 1.00 0.00 O ATOM 1040 CB GLU A 69 -12.699 -0.872 6.568 1.00 0.00 C ATOM 1041 CG GLU A 69 -13.717 -1.824 7.173 1.00 0.00 C ATOM 1042 CD GLU A 69 -15.137 -1.304 7.056 1.00 0.00 C ATOM 1043 OE1 GLU A 69 -15.475 -0.741 5.992 1.00 0.00 O ATOM 1044 OE2 GLU A 69 -15.908 -1.457 8.025 1.00 0.00 O ATOM 0 H GLU A 69 -9.624 -0.804 5.695 1.00 0.00 H new ATOM 0 HA GLU A 69 -11.075 -2.271 6.518 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -12.275 -0.254 7.360 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -13.208 -0.200 5.877 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -13.645 -2.792 6.676 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -13.478 -1.987 8.224 1.00 0.00 H new ATOM 1051 N SER A 70 -11.213 -3.000 3.894 1.00 0.00 N ATOM 1052 CA SER A 70 -11.600 -3.803 2.742 1.00 0.00 C ATOM 1053 C SER A 70 -11.069 -5.226 2.876 1.00 0.00 C ATOM 1054 O SER A 70 -10.630 -5.635 3.951 1.00 0.00 O ATOM 1055 CB SER A 70 -11.073 -3.167 1.454 1.00 0.00 C ATOM 1056 OG SER A 70 -11.948 -3.416 0.366 1.00 0.00 O ATOM 0 H SER A 70 -10.207 -2.956 4.056 1.00 0.00 H new ATOM 0 HA SER A 70 -12.689 -3.841 2.700 1.00 0.00 H new ATOM 0 HB2 SER A 70 -10.960 -2.092 1.595 1.00 0.00 H new ATOM 0 HB3 SER A 70 -10.084 -3.564 1.227 1.00 0.00 H new ATOM 0 HG SER A 70 -11.589 -2.998 -0.444 1.00 0.00 H new ATOM 1062 N GLU A 71 -11.112 -5.977 1.780 1.00 0.00 N ATOM 1063 CA GLU A 71 -10.633 -7.356 1.776 1.00 0.00 C ATOM 1064 C GLU A 71 -9.699 -7.604 0.599 1.00 0.00 C ATOM 1065 O GLU A 71 -10.063 -7.371 -0.555 1.00 0.00 O ATOM 1066 CB GLU A 71 -11.813 -8.328 1.712 1.00 0.00 C ATOM 1067 CG GLU A 71 -11.421 -9.775 1.961 1.00 0.00 C ATOM 1068 CD GLU A 71 -12.024 -10.734 0.950 1.00 0.00 C ATOM 1069 OE1 GLU A 71 -13.255 -10.945 0.995 1.00 0.00 O ATOM 1070 OE2 GLU A 71 -11.267 -11.272 0.116 1.00 0.00 O ATOM 0 H GLU A 71 -11.474 -5.654 0.883 1.00 0.00 H new ATOM 0 HA GLU A 71 -10.080 -7.523 2.700 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -12.559 -8.030 2.449 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -12.284 -8.251 0.732 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -10.335 -9.862 1.933 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -11.738 -10.065 2.963 1.00 0.00 H new ATOM 1077 N LEU A 72 -8.496 -8.084 0.894 1.00 0.00 N ATOM 1078 CA LEU A 72 -7.515 -8.370 -0.147 1.00 0.00 C ATOM 1079 C LEU A 72 -6.773 -9.664 0.154 1.00 0.00 C ATOM 1080 O LEU A 72 -6.143 -9.804 1.204 1.00 0.00 O ATOM 1081 CB LEU A 72 -6.527 -7.209 -0.299 1.00 0.00 C ATOM 1082 CG LEU A 72 -5.813 -7.148 -1.656 1.00 0.00 C ATOM 1083 CD1 LEU A 72 -6.822 -6.930 -2.777 1.00 0.00 C ATOM 1084 CD2 LEU A 72 -4.747 -6.053 -1.664 1.00 0.00 C ATOM 0 H LEU A 72 -8.177 -8.283 1.842 1.00 0.00 H new ATOM 0 HA LEU A 72 -8.049 -8.490 -1.090 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -7.062 -6.272 -0.143 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -5.777 -7.283 0.488 1.00 0.00 H new ATOM 0 HG LEU A 72 -5.313 -8.102 -1.823 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -6.300 -6.889 -3.733 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -7.537 -7.753 -2.789 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -7.352 -5.992 -2.612 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -4.256 -6.031 -2.637 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -5.215 -5.088 -1.472 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -4.008 -6.259 -0.889 1.00 0.00 H new ATOM 1096 N PHE A 73 -6.853 -10.612 -0.771 1.00 0.00 N ATOM 1097 CA PHE A 73 -6.192 -11.897 -0.598 1.00 0.00 C ATOM 1098 C PHE A 73 -6.688 -12.589 0.669 1.00 0.00 C ATOM 1099 O PHE A 73 -5.914 -13.199 1.408 1.00 0.00 O ATOM 1100 CB PHE A 73 -4.674 -11.708 -0.554 1.00 0.00 C ATOM 1101 CG PHE A 73 -4.076 -11.416 -1.901 1.00 0.00 C ATOM 1102 CD1 PHE A 73 -4.244 -12.302 -2.954 1.00 0.00 C ATOM 1103 CD2 PHE A 73 -3.352 -10.256 -2.116 1.00 0.00 C ATOM 1104 CE1 PHE A 73 -3.697 -12.035 -4.196 1.00 0.00 C ATOM 1105 CE2 PHE A 73 -2.804 -9.985 -3.353 1.00 0.00 C ATOM 1106 CZ PHE A 73 -2.977 -10.876 -4.396 1.00 0.00 C ATOM 0 H PHE A 73 -7.368 -10.515 -1.646 1.00 0.00 H new ATOM 0 HA PHE A 73 -6.437 -12.533 -1.449 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -4.435 -10.891 0.127 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -4.214 -12.608 -0.146 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -4.808 -13.210 -2.803 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -3.214 -9.555 -1.306 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -3.834 -12.733 -5.008 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -2.240 -9.077 -3.507 1.00 0.00 H new ATOM 0 HZ PHE A 73 -2.549 -10.665 -5.365 1.00 0.00 H new ATOM 1116 N GLY A 74 -7.994 -12.489 0.900 1.00 0.00 N ATOM 1117 CA GLY A 74 -8.604 -13.104 2.061 1.00 0.00 C ATOM 1118 C GLY A 74 -8.216 -12.434 3.365 1.00 0.00 C ATOM 1119 O GLY A 74 -8.446 -12.988 4.441 1.00 0.00 O ATOM 0 H GLY A 74 -8.645 -11.987 0.296 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -9.688 -13.073 1.953 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -8.317 -14.155 2.100 1.00 0.00 H new ATOM 1123 N ARG A 75 -7.624 -11.243 3.281 1.00 0.00 N ATOM 1124 CA ARG A 75 -7.212 -10.519 4.469 1.00 0.00 C ATOM 1125 C ARG A 75 -7.709 -9.075 4.428 1.00 0.00 C ATOM 1126 O ARG A 75 -7.948 -8.517 3.361 1.00 0.00 O ATOM 1127 CB ARG A 75 -5.686 -10.587 4.602 1.00 0.00 C ATOM 1128 CG ARG A 75 -5.027 -9.289 5.029 1.00 0.00 C ATOM 1129 CD ARG A 75 -3.516 -9.432 5.068 1.00 0.00 C ATOM 1130 NE ARG A 75 -2.991 -9.389 6.432 1.00 0.00 N ATOM 1131 CZ ARG A 75 -2.449 -10.432 7.064 1.00 0.00 C ATOM 1132 NH1 ARG A 75 -2.387 -11.624 6.480 1.00 0.00 N ATOM 1133 NH2 ARG A 75 -1.979 -10.284 8.295 1.00 0.00 N ATOM 0 H ARG A 75 -7.422 -10.766 2.403 1.00 0.00 H new ATOM 0 HA ARG A 75 -7.659 -10.984 5.348 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -5.432 -11.362 5.325 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -5.265 -10.894 3.645 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -5.303 -8.493 4.338 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -5.394 -8.998 6.013 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -3.230 -10.374 4.600 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -3.062 -8.634 4.481 1.00 0.00 H new ATOM 0 HE ARG A 75 -3.042 -8.503 6.934 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -2.756 -11.750 5.538 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -1.970 -12.413 6.974 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -2.032 -9.375 8.756 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -1.564 -11.079 8.781 1.00 0.00 H new ATOM 1147 N THR A 76 -7.860 -8.485 5.605 1.00 0.00 N ATOM 1148 CA THR A 76 -8.328 -7.113 5.725 1.00 0.00 C ATOM 1149 C THR A 76 -7.159 -6.142 5.665 1.00 0.00 C ATOM 1150 O THR A 76 -6.150 -6.317 6.349 1.00 0.00 O ATOM 1151 CB THR A 76 -9.096 -6.925 7.032 1.00 0.00 C ATOM 1152 OG1 THR A 76 -10.071 -7.938 7.191 1.00 0.00 O ATOM 1153 CG2 THR A 76 -9.803 -5.587 7.126 1.00 0.00 C ATOM 0 H THR A 76 -7.663 -8.940 6.497 1.00 0.00 H new ATOM 0 HA THR A 76 -8.997 -6.906 4.890 1.00 0.00 H new ATOM 0 HB THR A 76 -8.343 -6.975 7.818 1.00 0.00 H new ATOM 0 HG1 THR A 76 -10.551 -7.801 8.035 1.00 0.00 H new ATOM 0 HG21 THR A 76 -10.329 -5.519 8.079 1.00 0.00 H new ATOM 0 HG22 THR A 76 -9.070 -4.783 7.058 1.00 0.00 H new ATOM 0 HG23 THR A 76 -10.519 -5.496 6.309 1.00 0.00 H new ATOM 1161 N ILE A 77 -7.306 -5.118 4.842 1.00 0.00 N ATOM 1162 CA ILE A 77 -6.275 -4.106 4.681 1.00 0.00 C ATOM 1163 C ILE A 77 -6.811 -2.727 5.044 1.00 0.00 C ATOM 1164 O ILE A 77 -8.011 -2.470 4.944 1.00 0.00 O ATOM 1165 CB ILE A 77 -5.737 -4.072 3.238 1.00 0.00 C ATOM 1166 CG1 ILE A 77 -6.871 -3.811 2.249 1.00 0.00 C ATOM 1167 CG2 ILE A 77 -5.018 -5.371 2.896 1.00 0.00 C ATOM 1168 CD1 ILE A 77 -6.403 -3.744 0.815 1.00 0.00 C ATOM 0 H ILE A 77 -8.137 -4.965 4.270 1.00 0.00 H new ATOM 0 HA ILE A 77 -5.460 -4.371 5.354 1.00 0.00 H new ATOM 0 HB ILE A 77 -5.018 -3.256 3.163 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -7.617 -4.600 2.345 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -7.363 -2.874 2.509 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -4.647 -5.323 1.872 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -4.181 -5.514 3.579 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -5.711 -6.207 2.992 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -7.256 -3.556 0.162 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -5.678 -2.937 0.706 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -5.937 -4.690 0.540 1.00 0.00 H new ATOM 1180 N ARG A 78 -5.914 -1.846 5.466 1.00 0.00 N ATOM 1181 CA ARG A 78 -6.287 -0.485 5.848 1.00 0.00 C ATOM 1182 C ARG A 78 -5.343 0.538 5.221 1.00 0.00 C ATOM 1183 O ARG A 78 -4.126 0.372 5.264 1.00 0.00 O ATOM 1184 CB ARG A 78 -6.261 -0.341 7.372 1.00 0.00 C ATOM 1185 CG ARG A 78 -7.566 -0.733 8.045 1.00 0.00 C ATOM 1186 CD ARG A 78 -8.228 0.459 8.716 1.00 0.00 C ATOM 1187 NE ARG A 78 -9.534 0.115 9.275 1.00 0.00 N ATOM 1188 CZ ARG A 78 -9.963 0.503 10.476 1.00 0.00 C ATOM 1189 NH1 ARG A 78 -9.202 1.263 11.254 1.00 0.00 N ATOM 1190 NH2 ARG A 78 -11.162 0.131 10.898 1.00 0.00 N ATOM 0 H ARG A 78 -4.918 -2.048 5.554 1.00 0.00 H new ATOM 0 HA ARG A 78 -7.296 -0.296 5.482 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -5.456 -0.958 7.773 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -6.027 0.693 7.626 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -8.244 -1.158 7.305 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -7.375 -1.509 8.786 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -7.581 0.834 9.509 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -8.344 1.265 7.991 1.00 0.00 H new ATOM 0 HE ARG A 78 -10.158 -0.460 8.709 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -8.279 1.556 10.935 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -9.541 1.554 12.171 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -11.754 -0.450 10.305 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -11.494 0.426 11.816 1.00 0.00 H new ATOM 1204 N VAL A 79 -5.908 1.600 4.649 1.00 0.00 N ATOM 1205 CA VAL A 79 -5.098 2.645 4.027 1.00 0.00 C ATOM 1206 C VAL A 79 -5.355 4.003 4.673 1.00 0.00 C ATOM 1207 O VAL A 79 -6.441 4.260 5.194 1.00 0.00 O ATOM 1208 CB VAL A 79 -5.363 2.732 2.507 1.00 0.00 C ATOM 1209 CG1 VAL A 79 -4.719 3.973 1.897 1.00 0.00 C ATOM 1210 CG2 VAL A 79 -4.851 1.477 1.822 1.00 0.00 C ATOM 0 H VAL A 79 -6.915 1.759 4.603 1.00 0.00 H new ATOM 0 HA VAL A 79 -4.054 2.375 4.184 1.00 0.00 H new ATOM 0 HB VAL A 79 -6.439 2.812 2.354 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -4.926 4.002 0.827 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -5.129 4.865 2.370 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -3.641 3.940 2.057 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -5.041 1.544 0.751 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -3.779 1.379 1.995 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -5.365 0.606 2.228 1.00 0.00 H new ATOM 1220 N ASN A 80 -4.347 4.875 4.628 1.00 0.00 N ATOM 1221 CA ASN A 80 -4.466 6.210 5.206 1.00 0.00 C ATOM 1222 C ASN A 80 -3.460 7.178 4.592 1.00 0.00 C ATOM 1223 O ASN A 80 -2.455 6.763 4.018 1.00 0.00 O ATOM 1224 CB ASN A 80 -4.275 6.161 6.723 1.00 0.00 C ATOM 1225 CG ASN A 80 -2.893 5.679 7.123 1.00 0.00 C ATOM 1226 OD1 ASN A 80 -1.931 5.818 6.371 1.00 0.00 O ATOM 1227 ND2 ASN A 80 -2.791 5.113 8.319 1.00 0.00 N ATOM 0 H ASN A 80 -3.443 4.680 4.198 1.00 0.00 H new ATOM 0 HA ASN A 80 -5.470 6.572 4.982 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -4.443 7.154 7.139 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -5.026 5.502 7.159 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -1.887 4.773 8.647 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -3.617 5.018 8.910 1.00 0.00 H new ATOM 1234 N LEU A 81 -3.733 8.475 4.724 1.00 0.00 N ATOM 1235 CA LEU A 81 -2.847 9.501 4.189 1.00 0.00 C ATOM 1236 C LEU A 81 -1.570 9.594 5.016 1.00 0.00 C ATOM 1237 O LEU A 81 -1.604 9.479 6.239 1.00 0.00 O ATOM 1238 CB LEU A 81 -3.550 10.858 4.168 1.00 0.00 C ATOM 1239 CG LEU A 81 -3.006 11.846 3.136 1.00 0.00 C ATOM 1240 CD1 LEU A 81 -3.458 11.460 1.736 1.00 0.00 C ATOM 1241 CD2 LEU A 81 -3.437 13.266 3.472 1.00 0.00 C ATOM 0 H LEU A 81 -4.561 8.838 5.197 1.00 0.00 H new ATOM 0 HA LEU A 81 -2.585 9.222 3.168 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -4.611 10.699 3.974 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -3.471 11.308 5.158 1.00 0.00 H new ATOM 0 HG LEU A 81 -1.917 11.807 3.165 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -3.061 12.175 1.015 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -3.091 10.462 1.497 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -4.547 11.466 1.691 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -3.039 13.953 2.725 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -4.525 13.325 3.476 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -3.055 13.539 4.456 1.00 0.00 H new ATOM 1253 N ALA A 82 -0.443 9.802 4.343 1.00 0.00 N ATOM 1254 CA ALA A 82 0.840 9.907 5.026 1.00 0.00 C ATOM 1255 C ALA A 82 1.071 11.321 5.543 1.00 0.00 C ATOM 1256 O ALA A 82 1.550 12.189 4.815 1.00 0.00 O ATOM 1257 CB ALA A 82 1.967 9.487 4.096 1.00 0.00 C ATOM 0 H ALA A 82 -0.393 9.901 3.329 1.00 0.00 H new ATOM 0 HA ALA A 82 0.825 9.235 5.884 1.00 0.00 H new ATOM 0 HB1 ALA A 82 2.920 9.570 4.619 1.00 0.00 H new ATOM 0 HB2 ALA A 82 1.814 8.454 3.782 1.00 0.00 H new ATOM 0 HB3 ALA A 82 1.976 10.135 3.220 1.00 0.00 H new ATOM 1263 N LYS A 83 0.724 11.547 6.807 1.00 0.00 N ATOM 1264 CA LYS A 83 0.891 12.858 7.424 1.00 0.00 C ATOM 1265 C LYS A 83 1.929 12.808 8.539 1.00 0.00 C ATOM 1266 O LYS A 83 3.120 13.008 8.303 1.00 0.00 O ATOM 1267 CB LYS A 83 -0.445 13.351 7.979 1.00 0.00 C ATOM 1268 CG LYS A 83 -0.651 14.851 7.835 1.00 0.00 C ATOM 1269 CD LYS A 83 -1.615 15.386 8.886 1.00 0.00 C ATOM 1270 CE LYS A 83 -2.177 16.747 8.499 1.00 0.00 C ATOM 1271 NZ LYS A 83 -1.537 17.852 9.265 1.00 0.00 N ATOM 0 H LYS A 83 0.325 10.839 7.423 1.00 0.00 H new ATOM 0 HA LYS A 83 1.241 13.551 6.659 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -1.255 12.831 7.467 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -0.511 13.084 9.034 1.00 0.00 H new ATOM 0 HG2 LYS A 83 0.308 15.361 7.926 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -1.037 15.072 6.840 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -2.434 14.680 9.021 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -1.101 15.464 9.844 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -2.027 16.911 7.432 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -3.253 16.759 8.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -1.948 18.761 8.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -1.701 17.710 10.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -0.514 17.858 9.077 1.00 0.00 H new TER 1285 LYS A 83