USER MOD reduce.3.24.130724 H: found=0, std=0, add=525, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 526 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 6 THR OG1 : rot 180:sc= -0.0226 USER MOD Single : A 10 SER OG : rot -97:sc= -3.89! USER MOD Single : A 12 SER OG : rot 180:sc= -0.169 USER MOD Single : A 15 LYS NZ :NH3+ 159:sc= -0.0964 (180deg=-0.646) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -0.196 K(o=-0.2,f=-2.3!) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 153:sc= 0.409 USER MOD Single : A 26 HIS : no HD1:sc= -0.332 X(o=-0.33,f=-0.0035) USER MOD Single : A 31 SER OG : rot 180:sc= -0.224 USER MOD Single : A 32 SER OG : rot 180:sc= 0.0415 USER MOD Single : A 33 TYR OH : rot 180:sc= -2.57! USER MOD Single : A 36 MET CE :methyl -136:sc= -1.35 (180deg=-5.62!) USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= -0.423 X(o=-0.42,f=0) USER MOD Single : A 48 GLN :FLIP amide:sc= -0.904 F(o=-1.7,f=-0.9) USER MOD Single : A 54 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0145) USER MOD Single : A 55 TYR OH : rot 8:sc= -4.67! USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 CYS SG : rot 180:sc= -0.128 USER MOD ----------------------------------------------------------------- ATOM 75 N THR A 6 3.512 -2.584 -7.920 1.00 0.00 N ATOM 76 CA THR A 6 4.245 -2.686 -6.662 1.00 0.00 C ATOM 77 C THR A 6 4.127 -1.401 -5.845 1.00 0.00 C ATOM 78 O THR A 6 5.084 -0.979 -5.195 1.00 0.00 O ATOM 79 CB THR A 6 5.718 -2.996 -6.933 1.00 0.00 C ATOM 80 OG1 THR A 6 6.392 -1.849 -7.420 1.00 0.00 O ATOM 81 CG2 THR A 6 5.921 -4.109 -7.939 1.00 0.00 C ATOM 0 HA THR A 6 3.805 -3.499 -6.084 1.00 0.00 H new ATOM 0 HB THR A 6 6.126 -3.316 -5.974 1.00 0.00 H new ATOM 0 HG1 THR A 6 7.333 -2.068 -7.585 1.00 0.00 H new ATOM 0 HG21 THR A 6 6.988 -4.278 -8.085 1.00 0.00 H new ATOM 0 HG22 THR A 6 5.456 -5.023 -7.569 1.00 0.00 H new ATOM 0 HG23 THR A 6 5.465 -3.829 -8.889 1.00 0.00 H new ATOM 89 N VAL A 7 2.950 -0.782 -5.879 1.00 0.00 N ATOM 90 CA VAL A 7 2.715 0.452 -5.139 1.00 0.00 C ATOM 91 C VAL A 7 1.263 0.550 -4.684 1.00 0.00 C ATOM 92 O VAL A 7 0.342 0.500 -5.500 1.00 0.00 O ATOM 93 CB VAL A 7 3.058 1.694 -5.983 1.00 0.00 C ATOM 94 CG1 VAL A 7 3.059 2.944 -5.117 1.00 0.00 C ATOM 95 CG2 VAL A 7 4.400 1.516 -6.677 1.00 0.00 C ATOM 0 H VAL A 7 2.146 -1.115 -6.411 1.00 0.00 H new ATOM 0 HA VAL A 7 3.369 0.424 -4.268 1.00 0.00 H new ATOM 0 HB VAL A 7 2.292 1.812 -6.750 1.00 0.00 H new ATOM 0 HG11 VAL A 7 3.303 3.811 -5.730 1.00 0.00 H new ATOM 0 HG12 VAL A 7 2.073 3.080 -4.673 1.00 0.00 H new ATOM 0 HG13 VAL A 7 3.802 2.838 -4.326 1.00 0.00 H new ATOM 0 HG21 VAL A 7 4.624 2.404 -7.268 1.00 0.00 H new ATOM 0 HG22 VAL A 7 5.180 1.371 -5.929 1.00 0.00 H new ATOM 0 HG23 VAL A 7 4.359 0.645 -7.331 1.00 0.00 H new ATOM 105 N LEU A 8 1.066 0.691 -3.378 1.00 0.00 N ATOM 106 CA LEU A 8 -0.275 0.797 -2.816 1.00 0.00 C ATOM 107 C LEU A 8 -0.732 2.251 -2.768 1.00 0.00 C ATOM 108 O LEU A 8 0.051 3.148 -2.455 1.00 0.00 O ATOM 109 CB LEU A 8 -0.312 0.189 -1.411 1.00 0.00 C ATOM 110 CG LEU A 8 -1.552 -0.652 -1.101 1.00 0.00 C ATOM 111 CD1 LEU A 8 -2.820 0.129 -1.410 1.00 0.00 C ATOM 112 CD2 LEU A 8 -1.521 -1.954 -1.887 1.00 0.00 C ATOM 0 H LEU A 8 1.817 0.735 -2.689 1.00 0.00 H new ATOM 0 HA LEU A 8 -0.957 0.243 -3.461 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.573 -0.433 -1.278 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -0.247 0.996 -0.681 1.00 0.00 H new ATOM 0 HG LEU A 8 -1.549 -0.891 -0.038 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -3.691 -0.486 -1.183 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -2.847 1.034 -0.803 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -2.832 0.400 -2.466 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -2.410 -2.540 -1.655 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -1.500 -1.734 -2.954 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -0.631 -2.522 -1.616 1.00 0.00 H new ATOM 124 N ARG A 9 -2.004 2.477 -3.080 1.00 0.00 N ATOM 125 CA ARG A 9 -2.565 3.823 -3.073 1.00 0.00 C ATOM 126 C ARG A 9 -4.052 3.790 -2.736 1.00 0.00 C ATOM 127 O ARG A 9 -4.789 2.927 -3.215 1.00 0.00 O ATOM 128 CB ARG A 9 -2.351 4.496 -4.430 1.00 0.00 C ATOM 129 CG ARG A 9 -0.907 4.459 -4.904 1.00 0.00 C ATOM 130 CD ARG A 9 -0.652 5.488 -5.993 1.00 0.00 C ATOM 131 NE ARG A 9 0.617 5.255 -6.678 1.00 0.00 N ATOM 132 CZ ARG A 9 1.255 6.179 -7.392 1.00 0.00 C ATOM 133 NH1 ARG A 9 0.745 7.398 -7.522 1.00 0.00 N ATOM 134 NH2 ARG A 9 2.407 5.884 -7.979 1.00 0.00 N ATOM 0 H ARG A 9 -2.665 1.746 -3.341 1.00 0.00 H new ATOM 0 HA ARG A 9 -2.050 4.400 -2.305 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -2.982 4.007 -5.173 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -2.678 5.534 -4.368 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -0.241 4.647 -4.061 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -0.672 3.463 -5.280 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -1.466 5.459 -6.717 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -0.650 6.486 -5.556 1.00 0.00 H new ATOM 0 HE ARG A 9 1.039 4.329 -6.605 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -0.141 7.631 -7.073 1.00 0.00 H new ATOM 0 HH12 ARG A 9 1.239 8.102 -8.071 1.00 0.00 H new ATOM 0 HH21 ARG A 9 2.804 4.949 -7.883 1.00 0.00 H new ATOM 0 HH22 ARG A 9 2.896 6.592 -8.526 1.00 0.00 H new ATOM 148 N SER A 10 -4.486 4.734 -1.908 1.00 0.00 N ATOM 149 CA SER A 10 -5.885 4.813 -1.503 1.00 0.00 C ATOM 150 C SER A 10 -6.772 5.222 -2.677 1.00 0.00 C ATOM 151 O SER A 10 -6.347 5.976 -3.553 1.00 0.00 O ATOM 152 CB SER A 10 -6.049 5.808 -0.354 1.00 0.00 C ATOM 153 OG SER A 10 -5.992 5.152 0.901 1.00 0.00 O ATOM 0 H SER A 10 -3.889 5.456 -1.504 1.00 0.00 H new ATOM 0 HA SER A 10 -6.195 3.824 -1.166 1.00 0.00 H new ATOM 0 HB2 SER A 10 -5.265 6.564 -0.409 1.00 0.00 H new ATOM 0 HB3 SER A 10 -7.002 6.329 -0.453 1.00 0.00 H new ATOM 0 HG SER A 10 -6.902 4.981 1.223 1.00 0.00 H new ATOM 159 N PRO A 11 -8.023 4.730 -2.709 1.00 0.00 N ATOM 160 CA PRO A 11 -8.970 5.049 -3.780 1.00 0.00 C ATOM 161 C PRO A 11 -9.512 6.470 -3.668 1.00 0.00 C ATOM 162 O PRO A 11 -9.909 7.074 -4.665 1.00 0.00 O ATOM 163 CB PRO A 11 -10.091 4.031 -3.571 1.00 0.00 C ATOM 164 CG PRO A 11 -10.055 3.728 -2.114 1.00 0.00 C ATOM 165 CD PRO A 11 -8.611 3.824 -1.702 1.00 0.00 C ATOM 0 HA PRO A 11 -8.507 4.999 -4.765 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -11.057 4.439 -3.867 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -9.928 3.133 -4.167 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -10.668 4.435 -1.554 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -10.452 2.733 -1.913 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -8.507 4.224 -0.693 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -8.126 2.848 -1.709 1.00 0.00 H new ATOM 173 N SER A 12 -9.527 6.999 -2.448 1.00 0.00 N ATOM 174 CA SER A 12 -10.021 8.349 -2.206 1.00 0.00 C ATOM 175 C SER A 12 -9.360 8.957 -0.973 1.00 0.00 C ATOM 176 O SER A 12 -8.596 8.292 -0.274 1.00 0.00 O ATOM 177 CB SER A 12 -11.540 8.335 -2.030 1.00 0.00 C ATOM 178 OG SER A 12 -12.172 7.654 -3.101 1.00 0.00 O ATOM 0 H SER A 12 -9.203 6.513 -1.612 1.00 0.00 H new ATOM 0 HA SER A 12 -9.768 8.962 -3.071 1.00 0.00 H new ATOM 0 HB2 SER A 12 -11.795 7.852 -1.087 1.00 0.00 H new ATOM 0 HB3 SER A 12 -11.912 9.358 -1.975 1.00 0.00 H new ATOM 0 HG SER A 12 -13.142 7.658 -2.964 1.00 0.00 H new ATOM 184 N ALA A 13 -9.661 10.225 -0.712 1.00 0.00 N ATOM 185 CA ALA A 13 -9.096 10.924 0.437 1.00 0.00 C ATOM 186 C ALA A 13 -9.775 10.491 1.732 1.00 0.00 C ATOM 187 O ALA A 13 -11.001 10.512 1.839 1.00 0.00 O ATOM 188 CB ALA A 13 -9.220 12.429 0.251 1.00 0.00 C ATOM 0 H ALA A 13 -10.293 10.789 -1.280 1.00 0.00 H new ATOM 0 HA ALA A 13 -8.040 10.663 0.507 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -8.795 12.939 1.115 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -8.683 12.730 -0.648 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -10.272 12.698 0.152 1.00 0.00 H new ATOM 194 N GLY A 14 -8.969 10.101 2.713 1.00 0.00 N ATOM 195 CA GLY A 14 -9.509 9.669 3.989 1.00 0.00 C ATOM 196 C GLY A 14 -8.564 9.947 5.142 1.00 0.00 C ATOM 197 O GLY A 14 -8.011 11.041 5.250 1.00 0.00 O ATOM 0 H GLY A 14 -7.951 10.076 2.648 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -10.457 10.176 4.170 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -9.722 8.601 3.947 1.00 0.00 H new ATOM 201 N LYS A 15 -8.380 8.954 6.006 1.00 0.00 N ATOM 202 CA LYS A 15 -7.496 9.096 7.158 1.00 0.00 C ATOM 203 C LYS A 15 -7.120 7.731 7.725 1.00 0.00 C ATOM 204 O LYS A 15 -7.955 6.831 7.805 1.00 0.00 O ATOM 205 CB LYS A 15 -8.167 9.943 8.241 1.00 0.00 C ATOM 206 CG LYS A 15 -7.194 10.496 9.270 1.00 0.00 C ATOM 207 CD LYS A 15 -7.151 9.630 10.518 1.00 0.00 C ATOM 208 CE LYS A 15 -8.198 10.062 11.532 1.00 0.00 C ATOM 209 NZ LYS A 15 -9.507 9.390 11.300 1.00 0.00 N ATOM 0 H LYS A 15 -8.831 8.042 5.931 1.00 0.00 H new ATOM 0 HA LYS A 15 -6.586 9.596 6.827 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -8.693 10.772 7.768 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -8.917 9.339 8.751 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -6.197 10.557 8.834 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -7.486 11.511 9.540 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -7.316 8.588 10.245 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -6.160 9.689 10.969 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -7.846 9.833 12.538 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -8.330 11.143 11.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -10.071 9.417 12.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -10.020 9.882 10.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -9.345 8.401 11.023 1.00 0.00 H new ATOM 223 N LEU A 16 -5.858 7.584 8.116 1.00 0.00 N ATOM 224 CA LEU A 16 -5.372 6.327 8.675 1.00 0.00 C ATOM 225 C LEU A 16 -6.005 6.057 10.037 1.00 0.00 C ATOM 226 O LEU A 16 -5.548 6.573 11.057 1.00 0.00 O ATOM 227 CB LEU A 16 -3.848 6.361 8.807 1.00 0.00 C ATOM 228 CG LEU A 16 -3.171 4.991 8.887 1.00 0.00 C ATOM 229 CD1 LEU A 16 -3.618 4.105 7.734 1.00 0.00 C ATOM 230 CD2 LEU A 16 -1.658 5.145 8.887 1.00 0.00 C ATOM 0 H LEU A 16 -5.154 8.319 8.056 1.00 0.00 H new ATOM 0 HA LEU A 16 -5.655 5.522 7.997 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -3.437 6.902 7.955 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.589 6.929 9.700 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.469 4.514 9.821 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -3.126 3.135 7.808 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -4.698 3.968 7.778 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.350 4.576 6.788 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -1.192 4.161 8.944 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.343 5.643 7.970 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.353 5.742 9.747 1.00 0.00 H new ATOM 242 N THR A 17 -7.060 5.249 10.045 1.00 0.00 N ATOM 243 CA THR A 17 -7.756 4.914 11.282 1.00 0.00 C ATOM 244 C THR A 17 -6.966 3.896 12.102 1.00 0.00 C ATOM 245 O THR A 17 -6.877 4.007 13.324 1.00 0.00 O ATOM 246 CB THR A 17 -9.155 4.372 10.976 1.00 0.00 C ATOM 247 OG1 THR A 17 -9.906 4.222 12.168 1.00 0.00 O ATOM 248 CG2 THR A 17 -9.141 3.033 10.273 1.00 0.00 C ATOM 0 H THR A 17 -7.452 4.814 9.209 1.00 0.00 H new ATOM 0 HA THR A 17 -7.849 5.826 11.872 1.00 0.00 H new ATOM 0 HB THR A 17 -9.608 5.107 10.311 1.00 0.00 H new ATOM 0 HG1 THR A 17 -10.797 3.876 11.952 1.00 0.00 H new ATOM 0 HG21 THR A 17 -10.165 2.709 10.087 1.00 0.00 H new ATOM 0 HG22 THR A 17 -8.612 3.126 9.325 1.00 0.00 H new ATOM 0 HG23 THR A 17 -8.636 2.298 10.900 1.00 0.00 H new ATOM 256 N GLN A 18 -6.398 2.901 11.424 1.00 0.00 N ATOM 257 CA GLN A 18 -5.622 1.866 12.098 1.00 0.00 C ATOM 258 C GLN A 18 -4.814 1.046 11.093 1.00 0.00 C ATOM 259 O GLN A 18 -4.585 1.482 9.964 1.00 0.00 O ATOM 260 CB GLN A 18 -6.552 0.952 12.900 1.00 0.00 C ATOM 261 CG GLN A 18 -5.995 0.558 14.258 1.00 0.00 C ATOM 262 CD GLN A 18 -6.489 -0.800 14.719 1.00 0.00 C ATOM 263 OE1 GLN A 18 -7.187 -1.501 13.987 1.00 0.00 O ATOM 264 NE2 GLN A 18 -6.128 -1.177 15.940 1.00 0.00 N ATOM 0 H GLN A 18 -6.461 2.791 10.412 1.00 0.00 H new ATOM 0 HA GLN A 18 -4.923 2.351 12.780 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -7.509 1.455 13.041 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -6.748 0.049 12.321 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -4.906 0.548 14.211 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -6.275 1.312 14.994 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -5.548 -0.564 16.513 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -6.431 -2.080 16.305 1.00 0.00 H new ATOM 273 N TYR A 19 -4.383 -0.144 11.509 1.00 0.00 N ATOM 274 CA TYR A 19 -3.601 -1.020 10.644 1.00 0.00 C ATOM 275 C TYR A 19 -3.854 -2.486 10.985 1.00 0.00 C ATOM 276 O TYR A 19 -3.990 -2.848 12.153 1.00 0.00 O ATOM 277 CB TYR A 19 -2.110 -0.704 10.775 1.00 0.00 C ATOM 278 CG TYR A 19 -1.602 -0.758 12.198 1.00 0.00 C ATOM 279 CD1 TYR A 19 -1.138 -1.948 12.745 1.00 0.00 C ATOM 280 CD2 TYR A 19 -1.587 0.380 12.994 1.00 0.00 C ATOM 281 CE1 TYR A 19 -0.673 -2.002 14.045 1.00 0.00 C ATOM 282 CE2 TYR A 19 -1.122 0.335 14.295 1.00 0.00 C ATOM 283 CZ TYR A 19 -0.667 -0.858 14.815 1.00 0.00 C ATOM 284 OH TYR A 19 -0.204 -0.908 16.110 1.00 0.00 O ATOM 0 H TYR A 19 -4.563 -0.522 12.439 1.00 0.00 H new ATOM 0 HA TYR A 19 -3.912 -0.845 9.614 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -1.543 -1.410 10.169 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -1.921 0.289 10.368 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -1.141 -2.845 12.144 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -1.945 1.316 12.590 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -0.316 -2.935 14.456 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -1.115 1.229 14.901 1.00 0.00 H new ATOM 0 HH TYR A 19 -0.266 -0.017 16.514 1.00 0.00 H new ATOM 294 N THR A 20 -3.922 -3.324 9.955 1.00 0.00 N ATOM 295 CA THR A 20 -4.166 -4.750 10.141 1.00 0.00 C ATOM 296 C THR A 20 -2.862 -5.545 10.154 1.00 0.00 C ATOM 297 O THR A 20 -2.839 -6.703 10.573 1.00 0.00 O ATOM 298 CB THR A 20 -5.084 -5.278 9.037 1.00 0.00 C ATOM 299 OG1 THR A 20 -4.373 -5.423 7.821 1.00 0.00 O ATOM 300 CG2 THR A 20 -6.274 -4.382 8.769 1.00 0.00 C ATOM 0 H THR A 20 -3.811 -3.039 8.982 1.00 0.00 H new ATOM 0 HA THR A 20 -4.651 -4.879 11.109 1.00 0.00 H new ATOM 0 HB THR A 20 -5.448 -6.240 9.399 1.00 0.00 H new ATOM 0 HG1 THR A 20 -4.793 -6.122 7.278 1.00 0.00 H new ATOM 0 HG21 THR A 20 -6.884 -4.814 7.976 1.00 0.00 H new ATOM 0 HG22 THR A 20 -6.871 -4.289 9.676 1.00 0.00 H new ATOM 0 HG23 THR A 20 -5.925 -3.396 8.462 1.00 0.00 H new ATOM 308 N VAL A 21 -1.778 -4.927 9.692 1.00 0.00 N ATOM 309 CA VAL A 21 -0.482 -5.594 9.654 1.00 0.00 C ATOM 310 C VAL A 21 0.661 -4.600 9.827 1.00 0.00 C ATOM 311 O VAL A 21 0.581 -3.459 9.374 1.00 0.00 O ATOM 312 CB VAL A 21 -0.284 -6.360 8.333 1.00 0.00 C ATOM 313 CG1 VAL A 21 -1.314 -7.472 8.200 1.00 0.00 C ATOM 314 CG2 VAL A 21 -0.358 -5.411 7.146 1.00 0.00 C ATOM 0 H VAL A 21 -1.772 -3.970 9.340 1.00 0.00 H new ATOM 0 HA VAL A 21 -0.470 -6.301 10.484 1.00 0.00 H new ATOM 0 HB VAL A 21 0.707 -6.813 8.344 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -1.158 -8.002 7.260 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -1.207 -8.169 9.032 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -2.316 -7.043 8.213 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.216 -5.972 6.222 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -1.334 -4.925 7.129 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.422 -4.655 7.235 1.00 0.00 H new ATOM 324 N GLU A 22 1.726 -5.046 10.487 1.00 0.00 N ATOM 325 CA GLU A 22 2.891 -4.203 10.724 1.00 0.00 C ATOM 326 C GLU A 22 3.624 -3.905 9.421 1.00 0.00 C ATOM 327 O GLU A 22 3.204 -4.338 8.347 1.00 0.00 O ATOM 328 CB GLU A 22 3.842 -4.883 11.710 1.00 0.00 C ATOM 329 CG GLU A 22 4.419 -6.192 11.193 1.00 0.00 C ATOM 330 CD GLU A 22 4.232 -7.338 12.168 1.00 0.00 C ATOM 331 OE1 GLU A 22 4.983 -7.399 13.165 1.00 0.00 O ATOM 332 OE2 GLU A 22 3.334 -8.175 11.936 1.00 0.00 O ATOM 0 H GLU A 22 1.805 -5.989 10.868 1.00 0.00 H new ATOM 0 HA GLU A 22 2.546 -3.260 11.148 1.00 0.00 H new ATOM 0 HB2 GLU A 22 4.660 -4.201 11.942 1.00 0.00 H new ATOM 0 HB3 GLU A 22 3.311 -5.073 12.643 1.00 0.00 H new ATOM 0 HG2 GLU A 22 3.944 -6.445 10.245 1.00 0.00 H new ATOM 0 HG3 GLU A 22 5.482 -6.061 10.991 1.00 0.00 H new ATOM 339 N ASP A 23 4.724 -3.165 9.523 1.00 0.00 N ATOM 340 CA ASP A 23 5.519 -2.811 8.353 1.00 0.00 C ATOM 341 C ASP A 23 6.034 -4.062 7.649 1.00 0.00 C ATOM 342 O ASP A 23 6.666 -4.919 8.267 1.00 0.00 O ATOM 343 CB ASP A 23 6.694 -1.920 8.760 1.00 0.00 C ATOM 344 CG ASP A 23 7.504 -1.451 7.567 1.00 0.00 C ATOM 345 OD1 ASP A 23 6.910 -1.261 6.484 1.00 0.00 O ATOM 346 OD2 ASP A 23 8.731 -1.272 7.715 1.00 0.00 O ATOM 0 H ASP A 23 5.085 -2.799 10.404 1.00 0.00 H new ATOM 0 HA ASP A 23 4.880 -2.263 7.661 1.00 0.00 H new ATOM 0 HB2 ASP A 23 6.318 -1.053 9.304 1.00 0.00 H new ATOM 0 HB3 ASP A 23 7.343 -2.468 9.443 1.00 0.00 H new ATOM 351 N GLY A 24 5.758 -4.162 6.353 1.00 0.00 N ATOM 352 CA GLY A 24 6.200 -5.313 5.588 1.00 0.00 C ATOM 353 C GLY A 24 5.377 -6.553 5.877 1.00 0.00 C ATOM 354 O GLY A 24 5.861 -7.675 5.733 1.00 0.00 O ATOM 0 H GLY A 24 5.236 -3.467 5.819 1.00 0.00 H new ATOM 0 HA2 GLY A 24 6.142 -5.082 4.524 1.00 0.00 H new ATOM 0 HA3 GLY A 24 7.247 -5.515 5.814 1.00 0.00 H new ATOM 358 N GLY A 25 4.128 -6.350 6.287 1.00 0.00 N ATOM 359 CA GLY A 25 3.257 -7.470 6.591 1.00 0.00 C ATOM 360 C GLY A 25 2.870 -8.257 5.353 1.00 0.00 C ATOM 361 O GLY A 25 2.163 -7.748 4.483 1.00 0.00 O ATOM 0 H GLY A 25 3.705 -5.431 6.414 1.00 0.00 H new ATOM 0 HA2 GLY A 25 3.756 -8.133 7.298 1.00 0.00 H new ATOM 0 HA3 GLY A 25 2.355 -7.102 7.081 1.00 0.00 H new ATOM 365 N HIS A 26 3.334 -9.499 5.274 1.00 0.00 N ATOM 366 CA HIS A 26 3.033 -10.357 4.133 1.00 0.00 C ATOM 367 C HIS A 26 1.533 -10.611 4.022 1.00 0.00 C ATOM 368 O HIS A 26 0.911 -11.128 4.950 1.00 0.00 O ATOM 369 CB HIS A 26 3.779 -11.687 4.257 1.00 0.00 C ATOM 370 CG HIS A 26 3.756 -12.505 3.004 1.00 0.00 C ATOM 371 ND1 HIS A 26 3.762 -13.884 3.005 1.00 0.00 N ATOM 372 CD2 HIS A 26 3.726 -12.132 1.702 1.00 0.00 C ATOM 373 CE1 HIS A 26 3.738 -14.324 1.759 1.00 0.00 C ATOM 374 NE2 HIS A 26 3.715 -13.281 0.950 1.00 0.00 N ATOM 0 H HIS A 26 3.920 -9.935 5.986 1.00 0.00 H new ATOM 0 HA HIS A 26 3.364 -9.845 3.229 1.00 0.00 H new ATOM 0 HB2 HIS A 26 4.815 -11.489 4.533 1.00 0.00 H new ATOM 0 HB3 HIS A 26 3.339 -12.267 5.068 1.00 0.00 H new ATOM 0 HD2 HIS A 26 3.713 -11.120 1.326 1.00 0.00 H new ATOM 0 HE1 HIS A 26 3.737 -15.360 1.455 1.00 0.00 H new ATOM 0 HE2 HIS A 26 3.693 -13.322 -0.069 1.00 0.00 H new ATOM 383 N VAL A 27 0.958 -10.245 2.881 1.00 0.00 N ATOM 384 CA VAL A 27 -0.469 -10.434 2.649 1.00 0.00 C ATOM 385 C VAL A 27 -0.754 -10.748 1.184 1.00 0.00 C ATOM 386 O VAL A 27 -0.194 -10.122 0.285 1.00 0.00 O ATOM 387 CB VAL A 27 -1.274 -9.186 3.059 1.00 0.00 C ATOM 388 CG1 VAL A 27 -1.133 -8.925 4.551 1.00 0.00 C ATOM 389 CG2 VAL A 27 -0.829 -7.975 2.253 1.00 0.00 C ATOM 0 H VAL A 27 1.459 -9.816 2.103 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.779 -11.278 3.265 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.327 -9.369 2.845 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.708 -8.040 4.821 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.506 -9.785 5.108 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.083 -8.763 4.794 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.409 -7.103 2.556 1.00 0.00 H new ATOM 0 HG22 VAL A 27 0.230 -7.787 2.433 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.989 -8.166 1.192 1.00 0.00 H new ATOM 399 N GLU A 28 -1.630 -11.720 0.951 1.00 0.00 N ATOM 400 CA GLU A 28 -1.990 -12.114 -0.406 1.00 0.00 C ATOM 401 C GLU A 28 -3.092 -11.214 -0.957 1.00 0.00 C ATOM 402 O GLU A 28 -3.770 -10.514 -0.205 1.00 0.00 O ATOM 403 CB GLU A 28 -2.442 -13.576 -0.434 1.00 0.00 C ATOM 404 CG GLU A 28 -3.779 -13.816 0.251 1.00 0.00 C ATOM 405 CD GLU A 28 -3.681 -14.808 1.395 1.00 0.00 C ATOM 406 OE1 GLU A 28 -3.129 -14.440 2.453 1.00 0.00 O ATOM 407 OE2 GLU A 28 -4.156 -15.951 1.231 1.00 0.00 O ATOM 0 H GLU A 28 -2.103 -12.249 1.684 1.00 0.00 H new ATOM 0 HA GLU A 28 -1.108 -12.005 -1.037 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -2.510 -13.906 -1.471 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -1.682 -14.191 0.047 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.164 -12.869 0.629 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -4.498 -14.183 -0.482 1.00 0.00 H new ATOM 414 N ALA A 29 -3.268 -11.239 -2.276 1.00 0.00 N ATOM 415 CA ALA A 29 -4.290 -10.427 -2.930 1.00 0.00 C ATOM 416 C ALA A 29 -5.636 -10.547 -2.220 1.00 0.00 C ATOM 417 O ALA A 29 -6.111 -11.650 -1.952 1.00 0.00 O ATOM 418 CB ALA A 29 -4.426 -10.827 -4.392 1.00 0.00 C ATOM 0 H ALA A 29 -2.716 -11.813 -2.913 1.00 0.00 H new ATOM 0 HA ALA A 29 -3.975 -9.385 -2.875 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -5.191 -10.214 -4.867 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -3.473 -10.677 -4.900 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -4.711 -11.877 -4.457 1.00 0.00 H new ATOM 424 N GLY A 30 -6.246 -9.405 -1.920 1.00 0.00 N ATOM 425 CA GLY A 30 -7.531 -9.406 -1.246 1.00 0.00 C ATOM 426 C GLY A 30 -7.401 -9.219 0.253 1.00 0.00 C ATOM 427 O GLY A 30 -8.318 -8.717 0.904 1.00 0.00 O ATOM 0 H GLY A 30 -5.874 -8.479 -2.132 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -8.153 -8.610 -1.656 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -8.043 -10.347 -1.448 1.00 0.00 H new ATOM 431 N SER A 31 -6.261 -9.623 0.803 1.00 0.00 N ATOM 432 CA SER A 31 -6.017 -9.497 2.236 1.00 0.00 C ATOM 433 C SER A 31 -5.800 -8.038 2.623 1.00 0.00 C ATOM 434 O SER A 31 -4.932 -7.362 2.071 1.00 0.00 O ATOM 435 CB SER A 31 -4.802 -10.332 2.643 1.00 0.00 C ATOM 436 OG SER A 31 -5.078 -11.718 2.544 1.00 0.00 O ATOM 0 H SER A 31 -5.492 -10.040 0.279 1.00 0.00 H new ATOM 0 HA SER A 31 -6.896 -9.867 2.764 1.00 0.00 H new ATOM 0 HB2 SER A 31 -3.954 -10.081 2.006 1.00 0.00 H new ATOM 0 HB3 SER A 31 -4.515 -10.088 3.666 1.00 0.00 H new ATOM 0 HG SER A 31 -4.285 -12.229 2.808 1.00 0.00 H new ATOM 442 N SER A 32 -6.594 -7.560 3.575 1.00 0.00 N ATOM 443 CA SER A 32 -6.489 -6.180 4.035 1.00 0.00 C ATOM 444 C SER A 32 -5.168 -5.945 4.760 1.00 0.00 C ATOM 445 O SER A 32 -4.694 -6.804 5.503 1.00 0.00 O ATOM 446 CB SER A 32 -7.661 -5.837 4.957 1.00 0.00 C ATOM 447 OG SER A 32 -8.000 -6.937 5.783 1.00 0.00 O ATOM 0 H SER A 32 -7.317 -8.107 4.043 1.00 0.00 H new ATOM 0 HA SER A 32 -6.521 -5.529 3.161 1.00 0.00 H new ATOM 0 HB2 SER A 32 -7.401 -4.979 5.577 1.00 0.00 H new ATOM 0 HB3 SER A 32 -8.525 -5.547 4.359 1.00 0.00 H new ATOM 0 HG SER A 32 -8.750 -6.691 6.364 1.00 0.00 H new ATOM 453 N TYR A 33 -4.580 -4.775 4.536 1.00 0.00 N ATOM 454 CA TYR A 33 -3.311 -4.420 5.164 1.00 0.00 C ATOM 455 C TYR A 33 -3.470 -3.223 6.103 1.00 0.00 C ATOM 456 O TYR A 33 -2.566 -2.908 6.876 1.00 0.00 O ATOM 457 CB TYR A 33 -2.261 -4.109 4.095 1.00 0.00 C ATOM 458 CG TYR A 33 -2.531 -2.832 3.330 1.00 0.00 C ATOM 459 CD1 TYR A 33 -3.325 -2.836 2.190 1.00 0.00 C ATOM 460 CD2 TYR A 33 -1.993 -1.622 3.750 1.00 0.00 C ATOM 461 CE1 TYR A 33 -3.575 -1.670 1.491 1.00 0.00 C ATOM 462 CE2 TYR A 33 -2.238 -0.452 3.057 1.00 0.00 C ATOM 463 CZ TYR A 33 -3.029 -0.482 1.928 1.00 0.00 C ATOM 464 OH TYR A 33 -3.276 0.681 1.234 1.00 0.00 O ATOM 0 H TYR A 33 -4.962 -4.055 3.923 1.00 0.00 H new ATOM 0 HA TYR A 33 -2.981 -5.274 5.756 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -1.282 -4.038 4.570 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -2.214 -4.940 3.392 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -3.754 -3.765 1.844 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -1.372 -1.595 4.634 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -4.195 -1.690 0.607 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -1.813 0.480 3.398 1.00 0.00 H new ATOM 0 HH TYR A 33 -2.819 1.428 1.674 1.00 0.00 H new ATOM 474 N ALA A 34 -4.621 -2.558 6.029 1.00 0.00 N ATOM 475 CA ALA A 34 -4.887 -1.398 6.870 1.00 0.00 C ATOM 476 C ALA A 34 -6.333 -0.939 6.723 1.00 0.00 C ATOM 477 O ALA A 34 -7.143 -1.604 6.078 1.00 0.00 O ATOM 478 CB ALA A 34 -3.934 -0.264 6.522 1.00 0.00 C ATOM 0 H ALA A 34 -5.382 -2.804 5.396 1.00 0.00 H new ATOM 0 HA ALA A 34 -4.726 -1.686 7.909 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -4.144 0.596 7.158 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -2.906 -0.591 6.681 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -4.068 0.016 5.477 1.00 0.00 H new ATOM 484 N GLU A 35 -6.650 0.199 7.328 1.00 0.00 N ATOM 485 CA GLU A 35 -8.000 0.745 7.265 1.00 0.00 C ATOM 486 C GLU A 35 -7.968 2.269 7.264 1.00 0.00 C ATOM 487 O GLU A 35 -6.965 2.879 7.634 1.00 0.00 O ATOM 488 CB GLU A 35 -8.832 0.243 8.448 1.00 0.00 C ATOM 489 CG GLU A 35 -8.607 -1.225 8.774 1.00 0.00 C ATOM 490 CD GLU A 35 -9.750 -1.826 9.569 1.00 0.00 C ATOM 491 OE1 GLU A 35 -10.917 -1.645 9.162 1.00 0.00 O ATOM 492 OE2 GLU A 35 -9.478 -2.479 10.599 1.00 0.00 O ATOM 0 H GLU A 35 -5.992 0.761 7.867 1.00 0.00 H new ATOM 0 HA GLU A 35 -8.460 0.406 6.337 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -8.595 0.842 9.327 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -9.888 0.400 8.230 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -8.480 -1.784 7.847 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -7.681 -1.330 9.339 1.00 0.00 H new ATOM 499 N MET A 36 -9.072 2.879 6.846 1.00 0.00 N ATOM 500 CA MET A 36 -9.168 4.332 6.800 1.00 0.00 C ATOM 501 C MET A 36 -10.613 4.788 6.972 1.00 0.00 C ATOM 502 O MET A 36 -11.498 4.378 6.220 1.00 0.00 O ATOM 503 CB MET A 36 -8.606 4.860 5.478 1.00 0.00 C ATOM 504 CG MET A 36 -9.406 4.429 4.260 1.00 0.00 C ATOM 505 SD MET A 36 -8.384 4.253 2.785 1.00 0.00 S ATOM 506 CE MET A 36 -9.635 3.947 1.540 1.00 0.00 C ATOM 0 H MET A 36 -9.911 2.390 6.535 1.00 0.00 H new ATOM 0 HA MET A 36 -8.579 4.736 7.623 1.00 0.00 H new ATOM 0 HB2 MET A 36 -8.575 5.949 5.515 1.00 0.00 H new ATOM 0 HB3 MET A 36 -7.578 4.516 5.367 1.00 0.00 H new ATOM 0 HG2 MET A 36 -9.899 3.480 4.471 1.00 0.00 H new ATOM 0 HG3 MET A 36 -10.191 5.160 4.068 1.00 0.00 H new ATOM 0 HE1 MET A 36 -9.311 3.134 0.890 1.00 0.00 H new ATOM 0 HE2 MET A 36 -10.572 3.672 2.025 1.00 0.00 H new ATOM 0 HE3 MET A 36 -9.785 4.848 0.946 1.00 0.00 H new ATOM 516 N GLU A 37 -10.846 5.636 7.968 1.00 0.00 N ATOM 517 CA GLU A 37 -12.185 6.146 8.240 1.00 0.00 C ATOM 518 C GLU A 37 -12.447 7.433 7.466 1.00 0.00 C ATOM 519 O GLU A 37 -11.862 8.475 7.757 1.00 0.00 O ATOM 520 CB GLU A 37 -12.364 6.394 9.739 1.00 0.00 C ATOM 521 CG GLU A 37 -13.811 6.604 10.152 1.00 0.00 C ATOM 522 CD GLU A 37 -13.942 7.418 11.425 1.00 0.00 C ATOM 523 OE1 GLU A 37 -13.908 6.818 12.520 1.00 0.00 O ATOM 524 OE2 GLU A 37 -14.077 8.656 11.327 1.00 0.00 O ATOM 0 H GLU A 37 -10.125 5.985 8.600 1.00 0.00 H new ATOM 0 HA GLU A 37 -12.905 5.395 7.913 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -11.957 5.546 10.290 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -11.782 7.270 10.026 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -14.345 7.108 9.346 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -14.289 5.635 10.294 1.00 0.00 H new ATOM 531 N VAL A 38 -13.334 7.351 6.480 1.00 0.00 N ATOM 532 CA VAL A 38 -13.679 8.508 5.662 1.00 0.00 C ATOM 533 C VAL A 38 -14.887 9.236 6.243 1.00 0.00 C ATOM 534 O VAL A 38 -15.529 8.745 7.172 1.00 0.00 O ATOM 535 CB VAL A 38 -13.989 8.103 4.204 1.00 0.00 C ATOM 536 CG1 VAL A 38 -13.731 9.266 3.258 1.00 0.00 C ATOM 537 CG2 VAL A 38 -13.169 6.888 3.792 1.00 0.00 C ATOM 0 H VAL A 38 -13.827 6.495 6.228 1.00 0.00 H new ATOM 0 HA VAL A 38 -12.813 9.170 5.664 1.00 0.00 H new ATOM 0 HB VAL A 38 -15.044 7.837 4.144 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -13.955 8.960 2.236 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -14.367 10.107 3.533 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -12.685 9.565 3.326 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -13.405 6.622 2.762 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -12.107 7.121 3.873 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -13.407 6.050 4.447 1.00 0.00 H new ATOM 547 N MET A 39 -15.194 10.408 5.696 1.00 0.00 N ATOM 548 CA MET A 39 -16.328 11.195 6.168 1.00 0.00 C ATOM 549 C MET A 39 -17.624 10.398 6.058 1.00 0.00 C ATOM 550 O MET A 39 -18.556 10.599 6.838 1.00 0.00 O ATOM 551 CB MET A 39 -16.444 12.494 5.367 1.00 0.00 C ATOM 552 CG MET A 39 -15.116 13.212 5.177 1.00 0.00 C ATOM 553 SD MET A 39 -15.185 14.947 5.665 1.00 0.00 S ATOM 554 CE MET A 39 -15.244 15.747 4.064 1.00 0.00 C ATOM 0 H MET A 39 -14.675 10.833 4.928 1.00 0.00 H new ATOM 0 HA MET A 39 -16.159 11.438 7.217 1.00 0.00 H new ATOM 0 HB2 MET A 39 -16.870 12.271 4.389 1.00 0.00 H new ATOM 0 HB3 MET A 39 -17.140 13.163 5.873 1.00 0.00 H new ATOM 0 HG2 MET A 39 -14.347 12.705 5.760 1.00 0.00 H new ATOM 0 HG3 MET A 39 -14.818 13.145 4.131 1.00 0.00 H new ATOM 0 HE1 MET A 39 -15.289 16.828 4.199 1.00 0.00 H new ATOM 0 HE2 MET A 39 -14.350 15.489 3.495 1.00 0.00 H new ATOM 0 HE3 MET A 39 -16.128 15.411 3.522 1.00 0.00 H new ATOM 564 N LYS A 40 -17.675 9.492 5.087 1.00 0.00 N ATOM 565 CA LYS A 40 -18.855 8.661 4.878 1.00 0.00 C ATOM 566 C LYS A 40 -18.912 7.532 5.902 1.00 0.00 C ATOM 567 O LYS A 40 -19.734 7.552 6.818 1.00 0.00 O ATOM 568 CB LYS A 40 -18.853 8.083 3.462 1.00 0.00 C ATOM 569 CG LYS A 40 -19.479 9.004 2.428 1.00 0.00 C ATOM 570 CD LYS A 40 -18.486 10.044 1.935 1.00 0.00 C ATOM 571 CE LYS A 40 -19.047 10.840 0.768 1.00 0.00 C ATOM 572 NZ LYS A 40 -18.082 11.864 0.279 1.00 0.00 N ATOM 0 H LYS A 40 -16.913 9.315 4.433 1.00 0.00 H new ATOM 0 HA LYS A 40 -19.738 9.287 5.005 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -17.826 7.866 3.169 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -19.391 7.135 3.465 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -19.839 8.415 1.585 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -20.346 9.503 2.861 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -18.232 10.721 2.750 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -17.563 9.551 1.630 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -19.300 10.161 -0.046 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -19.972 11.329 1.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -18.502 12.385 -0.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -17.860 12.527 1.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -17.209 11.395 -0.037 1.00 0.00 H new ATOM 586 N MET A 41 -18.033 6.548 5.740 1.00 0.00 N ATOM 587 CA MET A 41 -17.983 5.409 6.651 1.00 0.00 C ATOM 588 C MET A 41 -16.571 4.836 6.730 1.00 0.00 C ATOM 589 O MET A 41 -15.637 5.373 6.135 1.00 0.00 O ATOM 590 CB MET A 41 -18.963 4.325 6.198 1.00 0.00 C ATOM 591 CG MET A 41 -20.340 4.448 6.829 1.00 0.00 C ATOM 592 SD MET A 41 -20.337 4.043 8.586 1.00 0.00 S ATOM 593 CE MET A 41 -20.628 2.277 8.527 1.00 0.00 C ATOM 0 H MET A 41 -17.346 6.516 4.987 1.00 0.00 H new ATOM 0 HA MET A 41 -18.269 5.756 7.644 1.00 0.00 H new ATOM 0 HB2 MET A 41 -19.064 4.369 5.114 1.00 0.00 H new ATOM 0 HB3 MET A 41 -18.547 3.347 6.440 1.00 0.00 H new ATOM 0 HG2 MET A 41 -20.707 5.466 6.695 1.00 0.00 H new ATOM 0 HG3 MET A 41 -21.034 3.788 6.309 1.00 0.00 H new ATOM 0 HE1 MET A 41 -20.653 1.878 9.541 1.00 0.00 H new ATOM 0 HE2 MET A 41 -21.582 2.082 8.036 1.00 0.00 H new ATOM 0 HE3 MET A 41 -19.827 1.795 7.967 1.00 0.00 H new ATOM 603 N ILE A 42 -16.424 3.740 7.468 1.00 0.00 N ATOM 604 CA ILE A 42 -15.128 3.090 7.625 1.00 0.00 C ATOM 605 C ILE A 42 -14.825 2.184 6.436 1.00 0.00 C ATOM 606 O ILE A 42 -15.735 1.641 5.809 1.00 0.00 O ATOM 607 CB ILE A 42 -15.073 2.259 8.924 1.00 0.00 C ATOM 608 CG1 ILE A 42 -13.707 1.584 9.077 1.00 0.00 C ATOM 609 CG2 ILE A 42 -16.185 1.221 8.934 1.00 0.00 C ATOM 610 CD1 ILE A 42 -12.551 2.558 9.129 1.00 0.00 C ATOM 0 H ILE A 42 -17.187 3.283 7.967 1.00 0.00 H new ATOM 0 HA ILE A 42 -14.377 3.878 7.677 1.00 0.00 H new ATOM 0 HB ILE A 42 -15.217 2.931 9.770 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -13.707 0.985 9.988 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -13.555 0.898 8.244 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -16.134 0.642 9.856 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -17.151 1.722 8.873 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -16.068 0.554 8.080 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -11.616 2.008 9.238 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -12.524 3.140 8.208 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -12.678 3.229 9.979 1.00 0.00 H new ATOM 622 N MET A 43 -13.541 2.025 6.129 1.00 0.00 N ATOM 623 CA MET A 43 -13.123 1.183 5.014 1.00 0.00 C ATOM 624 C MET A 43 -11.811 0.471 5.328 1.00 0.00 C ATOM 625 O MET A 43 -11.061 0.888 6.211 1.00 0.00 O ATOM 626 CB MET A 43 -12.970 2.022 3.744 1.00 0.00 C ATOM 627 CG MET A 43 -14.286 2.300 3.037 1.00 0.00 C ATOM 628 SD MET A 43 -14.708 1.027 1.831 1.00 0.00 S ATOM 629 CE MET A 43 -14.043 1.747 0.332 1.00 0.00 C ATOM 0 H MET A 43 -12.774 2.467 6.636 1.00 0.00 H new ATOM 0 HA MET A 43 -13.894 0.429 4.854 1.00 0.00 H new ATOM 0 HB2 MET A 43 -12.497 2.970 4.000 1.00 0.00 H new ATOM 0 HB3 MET A 43 -12.299 1.506 3.056 1.00 0.00 H new ATOM 0 HG2 MET A 43 -15.083 2.373 3.777 1.00 0.00 H new ATOM 0 HG3 MET A 43 -14.228 3.266 2.535 1.00 0.00 H new ATOM 0 HE1 MET A 43 -14.226 1.075 -0.507 1.00 0.00 H new ATOM 0 HE2 MET A 43 -14.528 2.705 0.142 1.00 0.00 H new ATOM 0 HE3 MET A 43 -12.970 1.900 0.447 1.00 0.00 H new ATOM 639 N THR A 44 -11.540 -0.606 4.597 1.00 0.00 N ATOM 640 CA THR A 44 -10.319 -1.380 4.795 1.00 0.00 C ATOM 641 C THR A 44 -9.478 -1.404 3.523 1.00 0.00 C ATOM 642 O THR A 44 -9.992 -1.648 2.431 1.00 0.00 O ATOM 643 CB THR A 44 -10.655 -2.811 5.221 1.00 0.00 C ATOM 644 OG1 THR A 44 -12.023 -2.924 5.575 1.00 0.00 O ATOM 645 CG2 THR A 44 -9.836 -3.294 6.399 1.00 0.00 C ATOM 0 H THR A 44 -12.150 -0.963 3.862 1.00 0.00 H new ATOM 0 HA THR A 44 -9.742 -0.900 5.585 1.00 0.00 H new ATOM 0 HB THR A 44 -10.419 -3.430 4.356 1.00 0.00 H new ATOM 0 HG1 THR A 44 -12.217 -3.847 5.842 1.00 0.00 H new ATOM 0 HG21 THR A 44 -10.125 -4.315 6.649 1.00 0.00 H new ATOM 0 HG22 THR A 44 -8.777 -3.269 6.141 1.00 0.00 H new ATOM 0 HG23 THR A 44 -10.015 -2.646 7.257 1.00 0.00 H new ATOM 653 N LEU A 45 -8.182 -1.155 3.672 1.00 0.00 N ATOM 654 CA LEU A 45 -7.268 -1.155 2.536 1.00 0.00 C ATOM 655 C LEU A 45 -6.642 -2.533 2.352 1.00 0.00 C ATOM 656 O LEU A 45 -6.156 -3.135 3.309 1.00 0.00 O ATOM 657 CB LEU A 45 -6.174 -0.104 2.733 1.00 0.00 C ATOM 658 CG LEU A 45 -6.679 1.323 2.954 1.00 0.00 C ATOM 659 CD1 LEU A 45 -6.892 1.590 4.435 1.00 0.00 C ATOM 660 CD2 LEU A 45 -5.704 2.330 2.363 1.00 0.00 C ATOM 0 H LEU A 45 -7.740 -0.951 4.568 1.00 0.00 H new ATOM 0 HA LEU A 45 -7.836 -0.908 1.639 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.563 -0.393 3.588 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -5.523 -0.111 1.859 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.637 1.433 2.445 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -7.251 2.610 4.573 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -7.628 0.890 4.829 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.949 1.462 4.967 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -6.079 3.340 2.529 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.732 2.220 2.843 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.602 2.152 1.292 1.00 0.00 H new ATOM 672 N ASN A 46 -6.661 -3.029 1.120 1.00 0.00 N ATOM 673 CA ASN A 46 -6.096 -4.341 0.818 1.00 0.00 C ATOM 674 C ASN A 46 -5.153 -4.268 -0.378 1.00 0.00 C ATOM 675 O ASN A 46 -5.066 -3.242 -1.053 1.00 0.00 O ATOM 676 CB ASN A 46 -7.210 -5.358 0.544 1.00 0.00 C ATOM 677 CG ASN A 46 -8.420 -4.738 -0.130 1.00 0.00 C ATOM 678 OD1 ASN A 46 -9.536 -4.811 0.385 1.00 0.00 O ATOM 679 ND2 ASN A 46 -8.204 -4.123 -1.286 1.00 0.00 N ATOM 0 H ASN A 46 -7.060 -2.545 0.316 1.00 0.00 H new ATOM 0 HA ASN A 46 -5.526 -4.667 1.688 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -6.819 -6.157 -0.086 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -7.518 -5.815 1.485 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -8.980 -3.687 -1.784 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -7.262 -4.087 -1.676 1.00 0.00 H new ATOM 686 N VAL A 47 -4.447 -5.365 -0.633 1.00 0.00 N ATOM 687 CA VAL A 47 -3.508 -5.430 -1.746 1.00 0.00 C ATOM 688 C VAL A 47 -4.169 -6.008 -2.992 1.00 0.00 C ATOM 689 O VAL A 47 -5.137 -6.764 -2.900 1.00 0.00 O ATOM 690 CB VAL A 47 -2.278 -6.285 -1.391 1.00 0.00 C ATOM 691 CG1 VAL A 47 -1.471 -5.628 -0.282 1.00 0.00 C ATOM 692 CG2 VAL A 47 -2.702 -7.690 -0.991 1.00 0.00 C ATOM 0 H VAL A 47 -4.508 -6.222 -0.083 1.00 0.00 H new ATOM 0 HA VAL A 47 -3.188 -4.408 -1.949 1.00 0.00 H new ATOM 0 HB VAL A 47 -1.644 -6.359 -2.274 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -0.606 -6.248 -0.045 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -1.134 -4.645 -0.611 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -2.094 -5.520 0.606 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -1.819 -8.280 -0.744 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -3.359 -7.638 -0.123 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -3.232 -8.160 -1.820 1.00 0.00 H new ATOM 702 N GLN A 48 -3.639 -5.649 -4.156 1.00 0.00 N ATOM 703 CA GLN A 48 -4.177 -6.133 -5.423 1.00 0.00 C ATOM 704 C GLN A 48 -3.574 -7.485 -5.798 1.00 0.00 C ATOM 705 O GLN A 48 -4.133 -8.217 -6.615 1.00 0.00 O ATOM 706 CB GLN A 48 -3.921 -5.111 -6.537 1.00 0.00 C ATOM 707 CG GLN A 48 -2.465 -5.013 -6.971 1.00 0.00 C ATOM 708 CD GLN A 48 -1.645 -4.111 -6.070 1.00 0.00 C ATOM 709 OE1 GLN A 48 -0.806 -4.713 -5.235 1.00 0.00 O flip ATOM 710 NE2 GLN A 48 -1.764 -2.886 -6.123 1.00 0.00 N flip ATOM 0 H GLN A 48 -2.838 -5.025 -4.249 1.00 0.00 H new ATOM 0 HA GLN A 48 -5.252 -6.264 -5.303 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -4.530 -5.373 -7.402 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -4.254 -4.130 -6.198 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -2.024 -6.010 -6.978 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -2.419 -4.637 -7.993 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -2.421 -2.465 -6.780 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -1.205 -2.292 -5.510 1.00 0.00 H new ATOM 719 N GLU A 49 -2.430 -7.812 -5.201 1.00 0.00 N ATOM 720 CA GLU A 49 -1.759 -9.076 -5.481 1.00 0.00 C ATOM 721 C GLU A 49 -0.894 -9.507 -4.301 1.00 0.00 C ATOM 722 O GLU A 49 -0.775 -8.788 -3.309 1.00 0.00 O ATOM 723 CB GLU A 49 -0.899 -8.952 -6.740 1.00 0.00 C ATOM 724 CG GLU A 49 -1.707 -8.763 -8.013 1.00 0.00 C ATOM 725 CD GLU A 49 -2.628 -9.933 -8.297 1.00 0.00 C ATOM 726 OE1 GLU A 49 -2.162 -11.089 -8.219 1.00 0.00 O ATOM 727 OE2 GLU A 49 -3.817 -9.693 -8.599 1.00 0.00 O ATOM 0 H GLU A 49 -1.951 -7.220 -4.522 1.00 0.00 H new ATOM 0 HA GLU A 49 -2.523 -9.836 -5.644 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -0.218 -8.109 -6.623 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -0.284 -9.847 -6.839 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -2.298 -7.851 -7.932 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -1.027 -8.628 -8.854 1.00 0.00 H new ATOM 734 N ARG A 50 -0.293 -10.686 -4.417 1.00 0.00 N ATOM 735 CA ARG A 50 0.561 -11.217 -3.361 1.00 0.00 C ATOM 736 C ARG A 50 1.841 -10.398 -3.233 1.00 0.00 C ATOM 737 O ARG A 50 2.432 -9.989 -4.232 1.00 0.00 O ATOM 738 CB ARG A 50 0.905 -12.681 -3.642 1.00 0.00 C ATOM 739 CG ARG A 50 -0.245 -13.638 -3.375 1.00 0.00 C ATOM 740 CD ARG A 50 -1.249 -13.634 -4.517 1.00 0.00 C ATOM 741 NE ARG A 50 -0.620 -13.940 -5.800 1.00 0.00 N ATOM 742 CZ ARG A 50 -1.230 -13.807 -6.975 1.00 0.00 C ATOM 743 NH1 ARG A 50 -2.484 -13.376 -7.035 1.00 0.00 N ATOM 744 NH2 ARG A 50 -0.585 -14.107 -8.095 1.00 0.00 N ATOM 0 H ARG A 50 -0.382 -11.293 -5.232 1.00 0.00 H new ATOM 0 HA ARG A 50 0.014 -11.153 -2.420 1.00 0.00 H new ATOM 0 HB2 ARG A 50 1.215 -12.780 -4.682 1.00 0.00 H new ATOM 0 HB3 ARG A 50 1.757 -12.970 -3.027 1.00 0.00 H new ATOM 0 HG2 ARG A 50 0.144 -14.646 -3.235 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -0.745 -13.358 -2.448 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -2.032 -14.364 -4.314 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -1.731 -12.658 -4.573 1.00 0.00 H new ATOM 0 HE ARG A 50 0.343 -14.275 -5.794 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -2.985 -13.145 -6.177 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -2.946 -13.276 -7.939 1.00 0.00 H new ATOM 0 HH21 ARG A 50 0.378 -14.440 -8.055 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -1.053 -14.005 -8.996 1.00 0.00 H new ATOM 758 N GLY A 51 2.265 -10.162 -1.995 1.00 0.00 N ATOM 759 CA GLY A 51 3.472 -9.394 -1.758 1.00 0.00 C ATOM 760 C GLY A 51 3.541 -8.844 -0.347 1.00 0.00 C ATOM 761 O GLY A 51 2.596 -8.988 0.429 1.00 0.00 O ATOM 0 H GLY A 51 1.793 -10.490 -1.152 1.00 0.00 H new ATOM 0 HA2 GLY A 51 4.342 -10.024 -1.942 1.00 0.00 H new ATOM 0 HA3 GLY A 51 3.520 -8.569 -2.469 1.00 0.00 H new ATOM 765 N ARG A 52 4.661 -8.212 -0.014 1.00 0.00 N ATOM 766 CA ARG A 52 4.848 -7.639 1.314 1.00 0.00 C ATOM 767 C ARG A 52 4.465 -6.163 1.326 1.00 0.00 C ATOM 768 O ARG A 52 5.037 -5.356 0.594 1.00 0.00 O ATOM 769 CB ARG A 52 6.301 -7.805 1.765 1.00 0.00 C ATOM 770 CG ARG A 52 6.543 -9.066 2.578 1.00 0.00 C ATOM 771 CD ARG A 52 6.545 -10.305 1.697 1.00 0.00 C ATOM 772 NE ARG A 52 7.714 -10.354 0.822 1.00 0.00 N ATOM 773 CZ ARG A 52 8.924 -10.738 1.222 1.00 0.00 C ATOM 774 NH1 ARG A 52 9.128 -11.107 2.481 1.00 0.00 N ATOM 775 NH2 ARG A 52 9.932 -10.754 0.362 1.00 0.00 N ATOM 0 H ARG A 52 5.452 -8.084 -0.645 1.00 0.00 H new ATOM 0 HA ARG A 52 4.197 -8.171 2.008 1.00 0.00 H new ATOM 0 HB2 ARG A 52 6.946 -7.819 0.887 1.00 0.00 H new ATOM 0 HB3 ARG A 52 6.590 -6.938 2.359 1.00 0.00 H new ATOM 0 HG2 ARG A 52 7.497 -8.987 3.099 1.00 0.00 H new ATOM 0 HG3 ARG A 52 5.771 -9.162 3.341 1.00 0.00 H new ATOM 0 HD2 ARG A 52 6.525 -11.196 2.325 1.00 0.00 H new ATOM 0 HD3 ARG A 52 5.639 -10.321 1.092 1.00 0.00 H new ATOM 0 HE ARG A 52 7.596 -10.078 -0.153 1.00 0.00 H new ATOM 0 HH11 ARG A 52 8.355 -11.097 3.147 1.00 0.00 H new ATOM 0 HH12 ARG A 52 10.057 -11.400 2.782 1.00 0.00 H new ATOM 0 HH21 ARG A 52 9.781 -10.472 -0.606 1.00 0.00 H new ATOM 0 HH22 ARG A 52 10.859 -11.048 0.669 1.00 0.00 H new ATOM 789 N VAL A 53 3.491 -5.817 2.162 1.00 0.00 N ATOM 790 CA VAL A 53 3.030 -4.439 2.269 1.00 0.00 C ATOM 791 C VAL A 53 3.942 -3.624 3.179 1.00 0.00 C ATOM 792 O VAL A 53 4.159 -3.980 4.336 1.00 0.00 O ATOM 793 CB VAL A 53 1.590 -4.368 2.810 1.00 0.00 C ATOM 794 CG1 VAL A 53 1.062 -2.943 2.744 1.00 0.00 C ATOM 795 CG2 VAL A 53 0.684 -5.316 2.040 1.00 0.00 C ATOM 0 H VAL A 53 3.006 -6.473 2.775 1.00 0.00 H new ATOM 0 HA VAL A 53 3.054 -4.019 1.263 1.00 0.00 H new ATOM 0 HB VAL A 53 1.599 -4.678 3.855 1.00 0.00 H new ATOM 0 HG11 VAL A 53 0.043 -2.914 3.131 1.00 0.00 H new ATOM 0 HG12 VAL A 53 1.697 -2.292 3.345 1.00 0.00 H new ATOM 0 HG13 VAL A 53 1.067 -2.601 1.709 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -0.330 -5.253 2.436 1.00 0.00 H new ATOM 0 HG22 VAL A 53 0.680 -5.039 0.986 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.052 -6.337 2.146 1.00 0.00 H new ATOM 805 N LYS A 54 4.469 -2.526 2.648 1.00 0.00 N ATOM 806 CA LYS A 54 5.355 -1.656 3.412 1.00 0.00 C ATOM 807 C LYS A 54 4.718 -0.286 3.615 1.00 0.00 C ATOM 808 O LYS A 54 4.554 0.479 2.667 1.00 0.00 O ATOM 809 CB LYS A 54 6.700 -1.507 2.698 1.00 0.00 C ATOM 810 CG LYS A 54 7.264 -2.821 2.183 1.00 0.00 C ATOM 811 CD LYS A 54 8.656 -2.638 1.600 1.00 0.00 C ATOM 812 CE LYS A 54 9.153 -3.911 0.934 1.00 0.00 C ATOM 813 NZ LYS A 54 9.371 -5.006 1.920 1.00 0.00 N ATOM 0 H LYS A 54 4.298 -2.217 1.691 1.00 0.00 H new ATOM 0 HA LYS A 54 5.522 -2.111 4.388 1.00 0.00 H new ATOM 0 HB2 LYS A 54 6.583 -0.818 1.861 1.00 0.00 H new ATOM 0 HB3 LYS A 54 7.418 -1.057 3.384 1.00 0.00 H new ATOM 0 HG2 LYS A 54 7.301 -3.546 2.996 1.00 0.00 H new ATOM 0 HG3 LYS A 54 6.600 -3.230 1.421 1.00 0.00 H new ATOM 0 HD2 LYS A 54 8.643 -1.827 0.872 1.00 0.00 H new ATOM 0 HD3 LYS A 54 9.347 -2.346 2.391 1.00 0.00 H new ATOM 0 HE2 LYS A 54 8.430 -4.235 0.186 1.00 0.00 H new ATOM 0 HE3 LYS A 54 10.085 -3.705 0.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 9.774 -5.834 1.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 10.029 -4.683 2.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 8.463 -5.267 2.355 1.00 0.00 H new ATOM 827 N TYR A 55 4.355 0.013 4.857 1.00 0.00 N ATOM 828 CA TYR A 55 3.729 1.288 5.187 1.00 0.00 C ATOM 829 C TYR A 55 4.616 2.462 4.780 1.00 0.00 C ATOM 830 O TYR A 55 5.806 2.492 5.094 1.00 0.00 O ATOM 831 CB TYR A 55 3.427 1.358 6.685 1.00 0.00 C ATOM 832 CG TYR A 55 2.067 0.813 7.055 1.00 0.00 C ATOM 833 CD1 TYR A 55 1.593 -0.365 6.490 1.00 0.00 C ATOM 834 CD2 TYR A 55 1.256 1.475 7.967 1.00 0.00 C ATOM 835 CE1 TYR A 55 0.350 -0.867 6.825 1.00 0.00 C ATOM 836 CE2 TYR A 55 0.011 0.980 8.307 1.00 0.00 C ATOM 837 CZ TYR A 55 -0.437 -0.191 7.733 1.00 0.00 C ATOM 838 OH TYR A 55 -1.675 -0.688 8.069 1.00 0.00 O ATOM 0 H TYR A 55 4.484 -0.611 5.653 1.00 0.00 H new ATOM 0 HA TYR A 55 2.795 1.356 4.628 1.00 0.00 H new ATOM 0 HB2 TYR A 55 4.192 0.802 7.227 1.00 0.00 H new ATOM 0 HB3 TYR A 55 3.495 2.395 7.013 1.00 0.00 H new ATOM 0 HD1 TYR A 55 2.206 -0.897 5.777 1.00 0.00 H new ATOM 0 HD2 TYR A 55 1.604 2.392 8.418 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -0.003 -1.784 6.378 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -0.607 1.507 9.018 1.00 0.00 H new ATOM 0 HH TYR A 55 -1.787 -1.579 7.678 1.00 0.00 H new ATOM 848 N ILE A 56 4.024 3.430 4.088 1.00 0.00 N ATOM 849 CA ILE A 56 4.751 4.613 3.644 1.00 0.00 C ATOM 850 C ILE A 56 4.397 5.814 4.517 1.00 0.00 C ATOM 851 O ILE A 56 5.273 6.455 5.097 1.00 0.00 O ATOM 852 CB ILE A 56 4.451 4.932 2.155 1.00 0.00 C ATOM 853 CG1 ILE A 56 5.441 4.203 1.241 1.00 0.00 C ATOM 854 CG2 ILE A 56 4.500 6.432 1.887 1.00 0.00 C ATOM 855 CD1 ILE A 56 5.578 2.726 1.541 1.00 0.00 C ATOM 0 H ILE A 56 3.039 3.418 3.822 1.00 0.00 H new ATOM 0 HA ILE A 56 5.817 4.404 3.740 1.00 0.00 H new ATOM 0 HB ILE A 56 3.442 4.582 1.939 1.00 0.00 H new ATOM 0 HG12 ILE A 56 5.123 4.326 0.206 1.00 0.00 H new ATOM 0 HG13 ILE A 56 6.419 4.675 1.332 1.00 0.00 H new ATOM 0 HG21 ILE A 56 4.285 6.621 0.835 1.00 0.00 H new ATOM 0 HG22 ILE A 56 3.757 6.936 2.505 1.00 0.00 H new ATOM 0 HG23 ILE A 56 5.492 6.813 2.129 1.00 0.00 H new ATOM 0 HD11 ILE A 56 6.296 2.280 0.853 1.00 0.00 H new ATOM 0 HD12 ILE A 56 5.927 2.594 2.565 1.00 0.00 H new ATOM 0 HD13 ILE A 56 4.610 2.239 1.422 1.00 0.00 H new ATOM 867 N LYS A 57 3.106 6.106 4.602 1.00 0.00 N ATOM 868 CA LYS A 57 2.625 7.224 5.402 1.00 0.00 C ATOM 869 C LYS A 57 2.746 6.918 6.892 1.00 0.00 C ATOM 870 O LYS A 57 2.984 5.776 7.284 1.00 0.00 O ATOM 871 CB LYS A 57 1.171 7.529 5.041 1.00 0.00 C ATOM 872 CG LYS A 57 0.953 8.946 4.534 1.00 0.00 C ATOM 873 CD LYS A 57 1.811 9.241 3.315 1.00 0.00 C ATOM 874 CE LYS A 57 2.315 10.675 3.323 1.00 0.00 C ATOM 875 NZ LYS A 57 3.449 10.860 4.271 1.00 0.00 N ATOM 0 H LYS A 57 2.372 5.583 4.125 1.00 0.00 H new ATOM 0 HA LYS A 57 3.240 8.097 5.185 1.00 0.00 H new ATOM 0 HB2 LYS A 57 0.839 6.824 4.278 1.00 0.00 H new ATOM 0 HB3 LYS A 57 0.546 7.366 5.919 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -0.098 9.085 4.282 1.00 0.00 H new ATOM 0 HG3 LYS A 57 1.188 9.657 5.326 1.00 0.00 H new ATOM 0 HD2 LYS A 57 2.659 8.556 3.291 1.00 0.00 H new ATOM 0 HD3 LYS A 57 1.232 9.063 2.409 1.00 0.00 H new ATOM 0 HE2 LYS A 57 2.633 10.954 2.318 1.00 0.00 H new ATOM 0 HE3 LYS A 57 1.500 11.345 3.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 3.764 11.851 4.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 3.139 10.619 5.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 4.237 10.240 3.995 1.00 0.00 H new ATOM 889 N ARG A 58 2.581 7.946 7.718 1.00 0.00 N ATOM 890 CA ARG A 58 2.672 7.785 9.165 1.00 0.00 C ATOM 891 C ARG A 58 1.295 7.517 9.770 1.00 0.00 C ATOM 892 O ARG A 58 0.271 7.723 9.118 1.00 0.00 O ATOM 893 CB ARG A 58 3.288 9.033 9.800 1.00 0.00 C ATOM 894 CG ARG A 58 4.780 8.906 10.067 1.00 0.00 C ATOM 895 CD ARG A 58 5.151 9.454 11.435 1.00 0.00 C ATOM 896 NE ARG A 58 6.454 10.115 11.426 1.00 0.00 N ATOM 897 CZ ARG A 58 7.615 9.466 11.476 1.00 0.00 C ATOM 898 NH1 ARG A 58 7.641 8.141 11.540 1.00 0.00 N ATOM 899 NH2 ARG A 58 8.754 10.145 11.464 1.00 0.00 N ATOM 0 H ARG A 58 2.384 8.898 7.411 1.00 0.00 H new ATOM 0 HA ARG A 58 3.313 6.928 9.371 1.00 0.00 H new ATOM 0 HB2 ARG A 58 3.116 9.887 9.145 1.00 0.00 H new ATOM 0 HB3 ARG A 58 2.776 9.243 10.739 1.00 0.00 H new ATOM 0 HG2 ARG A 58 5.074 7.858 10.002 1.00 0.00 H new ATOM 0 HG3 ARG A 58 5.335 9.442 9.297 1.00 0.00 H new ATOM 0 HD2 ARG A 58 4.388 10.161 11.761 1.00 0.00 H new ATOM 0 HD3 ARG A 58 5.162 8.640 12.160 1.00 0.00 H new ATOM 0 HE ARG A 58 6.475 11.134 11.379 1.00 0.00 H new ATOM 0 HH11 ARG A 58 6.768 7.614 11.551 1.00 0.00 H new ATOM 0 HH12 ARG A 58 8.534 7.650 11.578 1.00 0.00 H new ATOM 0 HH21 ARG A 58 8.740 11.164 11.417 1.00 0.00 H new ATOM 0 HH22 ARG A 58 9.644 9.648 11.502 1.00 0.00 H new ATOM 913 N PRO A 59 1.253 7.054 11.031 1.00 0.00 N ATOM 914 CA PRO A 59 -0.008 6.761 11.722 1.00 0.00 C ATOM 915 C PRO A 59 -0.822 8.021 11.993 1.00 0.00 C ATOM 916 O PRO A 59 -0.307 9.002 12.531 1.00 0.00 O ATOM 917 CB PRO A 59 0.443 6.120 13.037 1.00 0.00 C ATOM 918 CG PRO A 59 1.829 6.621 13.251 1.00 0.00 C ATOM 919 CD PRO A 59 2.426 6.783 11.882 1.00 0.00 C ATOM 0 HA PRO A 59 -0.660 6.122 11.127 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -0.212 6.405 13.861 1.00 0.00 H new ATOM 0 HB3 PRO A 59 0.421 5.032 12.974 1.00 0.00 H new ATOM 0 HG2 PRO A 59 1.823 7.569 13.789 1.00 0.00 H new ATOM 0 HG3 PRO A 59 2.410 5.919 13.849 1.00 0.00 H new ATOM 0 HD2 PRO A 59 3.144 7.603 11.851 1.00 0.00 H new ATOM 0 HD3 PRO A 59 2.954 5.884 11.565 1.00 0.00 H new ATOM 927 N GLY A 60 -2.095 7.988 11.615 1.00 0.00 N ATOM 928 CA GLY A 60 -2.961 9.133 11.822 1.00 0.00 C ATOM 929 C GLY A 60 -2.943 10.102 10.653 1.00 0.00 C ATOM 930 O GLY A 60 -3.815 10.964 10.541 1.00 0.00 O ATOM 0 H GLY A 60 -2.543 7.188 11.168 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -3.981 8.786 11.985 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -2.654 9.657 12.727 1.00 0.00 H new ATOM 934 N ALA A 61 -1.947 9.964 9.780 1.00 0.00 N ATOM 935 CA ALA A 61 -1.820 10.835 8.617 1.00 0.00 C ATOM 936 C ALA A 61 -3.080 10.803 7.759 1.00 0.00 C ATOM 937 O ALA A 61 -3.722 9.761 7.620 1.00 0.00 O ATOM 938 CB ALA A 61 -0.607 10.436 7.791 1.00 0.00 C ATOM 0 H ALA A 61 -1.217 9.256 9.858 1.00 0.00 H new ATOM 0 HA ALA A 61 -1.686 11.856 8.975 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -0.524 11.094 6.926 1.00 0.00 H new ATOM 0 HB2 ALA A 61 0.293 10.522 8.401 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -0.719 9.406 7.454 1.00 0.00 H new ATOM 944 N VAL A 62 -3.426 11.949 7.183 1.00 0.00 N ATOM 945 CA VAL A 62 -4.607 12.050 6.334 1.00 0.00 C ATOM 946 C VAL A 62 -4.333 11.482 4.946 1.00 0.00 C ATOM 947 O VAL A 62 -3.377 11.878 4.280 1.00 0.00 O ATOM 948 CB VAL A 62 -5.082 13.511 6.198 1.00 0.00 C ATOM 949 CG1 VAL A 62 -5.482 14.071 7.555 1.00 0.00 C ATOM 950 CG2 VAL A 62 -4.004 14.371 5.556 1.00 0.00 C ATOM 0 H VAL A 62 -2.906 12.820 7.288 1.00 0.00 H new ATOM 0 HA VAL A 62 -5.393 11.467 6.814 1.00 0.00 H new ATOM 0 HB VAL A 62 -5.958 13.527 5.550 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -5.814 15.103 7.439 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -6.293 13.473 7.971 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -4.626 14.039 8.229 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -4.361 15.397 5.470 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -3.106 14.349 6.173 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -3.772 13.983 4.564 1.00 0.00 H new ATOM 960 N LEU A 63 -5.177 10.550 4.516 1.00 0.00 N ATOM 961 CA LEU A 63 -5.025 9.926 3.207 1.00 0.00 C ATOM 962 C LEU A 63 -5.650 10.789 2.116 1.00 0.00 C ATOM 963 O LEU A 63 -6.631 11.493 2.354 1.00 0.00 O ATOM 964 CB LEU A 63 -5.664 8.535 3.206 1.00 0.00 C ATOM 965 CG LEU A 63 -4.734 7.392 3.621 1.00 0.00 C ATOM 966 CD1 LEU A 63 -4.066 7.702 4.952 1.00 0.00 C ATOM 967 CD2 LEU A 63 -5.505 6.084 3.703 1.00 0.00 C ATOM 0 H LEU A 63 -5.973 10.210 5.055 1.00 0.00 H new ATOM 0 HA LEU A 63 -3.959 9.829 2.999 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -6.522 8.546 3.878 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -6.045 8.328 2.206 1.00 0.00 H new ATOM 0 HG LEU A 63 -3.957 7.288 2.864 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -3.409 6.878 5.230 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -3.481 8.617 4.861 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -4.828 7.833 5.720 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -4.830 5.281 3.999 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -6.303 6.177 4.440 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -5.936 5.854 2.729 1.00 0.00 H new ATOM 979 N GLU A 64 -5.076 10.728 0.919 1.00 0.00 N ATOM 980 CA GLU A 64 -5.578 11.504 -0.209 1.00 0.00 C ATOM 981 C GLU A 64 -5.795 10.613 -1.428 1.00 0.00 C ATOM 982 O GLU A 64 -5.070 9.639 -1.635 1.00 0.00 O ATOM 983 CB GLU A 64 -4.603 12.631 -0.554 1.00 0.00 C ATOM 984 CG GLU A 64 -4.099 13.392 0.661 1.00 0.00 C ATOM 985 CD GLU A 64 -3.909 14.870 0.385 1.00 0.00 C ATOM 986 OE1 GLU A 64 -4.898 15.537 0.017 1.00 0.00 O ATOM 987 OE2 GLU A 64 -2.770 15.361 0.538 1.00 0.00 O ATOM 0 H GLU A 64 -4.263 10.150 0.705 1.00 0.00 H new ATOM 0 HA GLU A 64 -6.536 11.937 0.078 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -3.751 12.212 -1.089 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -5.093 13.329 -1.232 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -4.805 13.267 1.482 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -3.152 12.962 0.987 1.00 0.00 H new ATOM 994 N ALA A 65 -6.796 10.953 -2.233 1.00 0.00 N ATOM 995 CA ALA A 65 -7.108 10.184 -3.431 1.00 0.00 C ATOM 996 C ALA A 65 -5.937 10.190 -4.408 1.00 0.00 C ATOM 997 O ALA A 65 -5.730 11.160 -5.136 1.00 0.00 O ATOM 998 CB ALA A 65 -8.359 10.734 -4.100 1.00 0.00 C ATOM 0 H ALA A 65 -7.405 11.756 -2.077 1.00 0.00 H new ATOM 0 HA ALA A 65 -7.293 9.152 -3.133 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -8.580 10.150 -4.993 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -9.199 10.671 -3.408 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -8.195 11.775 -4.378 1.00 0.00 H new ATOM 1004 N GLY A 66 -5.174 9.102 -4.417 1.00 0.00 N ATOM 1005 CA GLY A 66 -4.033 9.003 -5.308 1.00 0.00 C ATOM 1006 C GLY A 66 -2.717 8.906 -4.560 1.00 0.00 C ATOM 1007 O GLY A 66 -1.739 8.371 -5.081 1.00 0.00 O ATOM 0 H GLY A 66 -5.326 8.287 -3.823 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -4.150 8.127 -5.946 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -4.011 9.874 -5.963 1.00 0.00 H new ATOM 1011 N CYS A 67 -2.692 9.425 -3.337 1.00 0.00 N ATOM 1012 CA CYS A 67 -1.486 9.394 -2.518 1.00 0.00 C ATOM 1013 C CYS A 67 -1.101 7.960 -2.170 1.00 0.00 C ATOM 1014 O CYS A 67 -1.964 7.096 -2.012 1.00 0.00 O ATOM 1015 CB CYS A 67 -1.692 10.205 -1.238 1.00 0.00 C ATOM 1016 SG CYS A 67 -0.232 10.291 -0.175 1.00 0.00 S ATOM 0 H CYS A 67 -3.493 9.872 -2.891 1.00 0.00 H new ATOM 0 HA CYS A 67 -0.675 9.839 -3.094 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -1.993 11.218 -1.507 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -2.515 9.768 -0.672 1.00 0.00 H new ATOM 0 HG CYS A 67 -0.505 10.999 0.880 1.00 0.00 H new ATOM 1022 N VAL A 68 0.199 7.714 -2.051 1.00 0.00 N ATOM 1023 CA VAL A 68 0.699 6.384 -1.722 1.00 0.00 C ATOM 1024 C VAL A 68 0.627 6.126 -0.220 1.00 0.00 C ATOM 1025 O VAL A 68 1.412 6.676 0.552 1.00 0.00 O ATOM 1026 CB VAL A 68 2.152 6.197 -2.195 1.00 0.00 C ATOM 1027 CG1 VAL A 68 2.589 4.750 -2.023 1.00 0.00 C ATOM 1028 CG2 VAL A 68 2.302 6.639 -3.642 1.00 0.00 C ATOM 0 H VAL A 68 0.926 8.418 -2.177 1.00 0.00 H new ATOM 0 HA VAL A 68 0.062 5.669 -2.242 1.00 0.00 H new ATOM 0 HB VAL A 68 2.799 6.822 -1.579 1.00 0.00 H new ATOM 0 HG11 VAL A 68 3.619 4.638 -2.363 1.00 0.00 H new ATOM 0 HG12 VAL A 68 2.522 4.472 -0.971 1.00 0.00 H new ATOM 0 HG13 VAL A 68 1.940 4.102 -2.612 1.00 0.00 H new ATOM 0 HG21 VAL A 68 3.335 6.500 -3.960 1.00 0.00 H new ATOM 0 HG22 VAL A 68 1.644 6.043 -4.275 1.00 0.00 H new ATOM 0 HG23 VAL A 68 2.034 7.692 -3.731 1.00 0.00 H new ATOM 1038 N VAL A 69 -0.319 5.287 0.186 1.00 0.00 N ATOM 1039 CA VAL A 69 -0.495 4.954 1.595 1.00 0.00 C ATOM 1040 C VAL A 69 0.484 3.869 2.035 1.00 0.00 C ATOM 1041 O VAL A 69 0.781 3.734 3.222 1.00 0.00 O ATOM 1042 CB VAL A 69 -1.931 4.479 1.886 1.00 0.00 C ATOM 1043 CG1 VAL A 69 -2.170 4.388 3.385 1.00 0.00 C ATOM 1044 CG2 VAL A 69 -2.944 5.406 1.233 1.00 0.00 C ATOM 0 H VAL A 69 -0.977 4.824 -0.441 1.00 0.00 H new ATOM 0 HA VAL A 69 -0.299 5.866 2.159 1.00 0.00 H new ATOM 0 HB VAL A 69 -2.057 3.484 1.460 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -3.190 4.051 3.571 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -1.468 3.679 3.823 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -2.024 5.369 3.837 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -3.952 5.054 1.450 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -2.820 6.415 1.626 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -2.787 5.415 0.154 1.00 0.00 H new ATOM 1054 N ALA A 70 0.980 3.095 1.074 1.00 0.00 N ATOM 1055 CA ALA A 70 1.922 2.022 1.370 1.00 0.00 C ATOM 1056 C ALA A 70 2.600 1.519 0.098 1.00 0.00 C ATOM 1057 O ALA A 70 2.566 2.182 -0.938 1.00 0.00 O ATOM 1058 CB ALA A 70 1.209 0.881 2.082 1.00 0.00 C ATOM 0 H ALA A 70 0.746 3.191 0.086 1.00 0.00 H new ATOM 0 HA ALA A 70 2.696 2.418 2.027 1.00 0.00 H new ATOM 0 HB1 ALA A 70 1.922 0.085 2.298 1.00 0.00 H new ATOM 0 HB2 ALA A 70 0.779 1.246 3.015 1.00 0.00 H new ATOM 0 HB3 ALA A 70 0.415 0.493 1.444 1.00 0.00 H new ATOM 1064 N ARG A 71 3.216 0.343 0.185 1.00 0.00 N ATOM 1065 CA ARG A 71 3.904 -0.246 -0.959 1.00 0.00 C ATOM 1066 C ARG A 71 3.664 -1.751 -1.019 1.00 0.00 C ATOM 1067 O ARG A 71 2.902 -2.300 -0.222 1.00 0.00 O ATOM 1068 CB ARG A 71 5.404 0.042 -0.881 1.00 0.00 C ATOM 1069 CG ARG A 71 5.819 1.311 -1.607 1.00 0.00 C ATOM 1070 CD ARG A 71 5.812 1.118 -3.114 1.00 0.00 C ATOM 1071 NE ARG A 71 7.147 0.835 -3.636 1.00 0.00 N ATOM 1072 CZ ARG A 71 8.099 1.756 -3.775 1.00 0.00 C ATOM 1073 NH1 ARG A 71 7.867 3.017 -3.432 1.00 0.00 N ATOM 1074 NH2 ARG A 71 9.286 1.414 -4.258 1.00 0.00 N ATOM 0 H ARG A 71 3.253 -0.220 1.035 1.00 0.00 H new ATOM 0 HA ARG A 71 3.503 0.204 -1.867 1.00 0.00 H new ATOM 0 HB2 ARG A 71 5.696 0.120 0.166 1.00 0.00 H new ATOM 0 HB3 ARG A 71 5.950 -0.802 -1.302 1.00 0.00 H new ATOM 0 HG2 ARG A 71 5.142 2.122 -1.340 1.00 0.00 H new ATOM 0 HG3 ARG A 71 6.816 1.608 -1.282 1.00 0.00 H new ATOM 0 HD2 ARG A 71 5.141 0.299 -3.371 1.00 0.00 H new ATOM 0 HD3 ARG A 71 5.418 2.015 -3.592 1.00 0.00 H new ATOM 0 HE ARG A 71 7.362 -0.124 -3.910 1.00 0.00 H new ATOM 0 HH11 ARG A 71 6.956 3.285 -3.060 1.00 0.00 H new ATOM 0 HH12 ARG A 71 8.600 3.718 -3.541 1.00 0.00 H new ATOM 0 HH21 ARG A 71 9.469 0.446 -4.523 1.00 0.00 H new ATOM 0 HH22 ARG A 71 10.016 2.119 -4.365 1.00 0.00 H new ATOM 1088 N LEU A 72 4.314 -2.413 -1.970 1.00 0.00 N ATOM 1089 CA LEU A 72 4.165 -3.854 -2.134 1.00 0.00 C ATOM 1090 C LEU A 72 5.490 -4.500 -2.528 1.00 0.00 C ATOM 1091 O LEU A 72 6.420 -3.820 -2.963 1.00 0.00 O ATOM 1092 CB LEU A 72 3.101 -4.154 -3.192 1.00 0.00 C ATOM 1093 CG LEU A 72 1.849 -4.857 -2.667 1.00 0.00 C ATOM 1094 CD1 LEU A 72 2.190 -6.250 -2.161 1.00 0.00 C ATOM 1095 CD2 LEU A 72 1.199 -4.032 -1.566 1.00 0.00 C ATOM 0 H LEU A 72 4.948 -1.975 -2.638 1.00 0.00 H new ATOM 0 HA LEU A 72 3.851 -4.275 -1.179 1.00 0.00 H new ATOM 0 HB2 LEU A 72 2.803 -3.217 -3.662 1.00 0.00 H new ATOM 0 HB3 LEU A 72 3.548 -4.773 -3.970 1.00 0.00 H new ATOM 0 HG LEU A 72 1.139 -4.956 -3.488 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.286 -6.734 -1.791 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.611 -6.840 -2.975 1.00 0.00 H new ATOM 0 HD13 LEU A 72 2.918 -6.176 -1.353 1.00 0.00 H new ATOM 0 HD21 LEU A 72 0.309 -4.546 -1.203 1.00 0.00 H new ATOM 0 HD22 LEU A 72 1.904 -3.902 -0.744 1.00 0.00 H new ATOM 0 HD23 LEU A 72 0.918 -3.056 -1.961 1.00 0.00 H new