USER MOD reduce.3.24.130724 H: found=0, std=0, add=620, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 614 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 61 CYS SG : rot -145:sc= 1.06 USER MOD Set 1.2: A 63 HIS : no HD1:sc= -0.633 K(o=-1.2,f=-1.8) USER MOD Set 1.3: A 85 CYS SG : rot 167:sc= 0.02 USER MOD Set 1.4: A 88 CYS SG : rot -141:sc= 1.23 USER MOD Set 1.5: A 90 THR OG1 : rot 108:sc= 0.392 USER MOD Set 1.6: A 92 TYR OH : rot -28:sc= -3.24 USER MOD Set 2.1: A 45 THR OG1 : rot 180:sc= 0.0572 USER MOD Set 2.2: A 47 SER OG : rot 86:sc= 0.0542 USER MOD Set 3.1: A 28 CYS SG : rot 120:sc= 0.9 USER MOD Set 3.2: A 31 CYS SG : rot -72:sc= 0.137 USER MOD Set 3.3: A 39 SER OG : rot 78:sc= 1.4 USER MOD Set 3.4: A 66 HIS : no HE2:sc= -3.7! C(o=-1.4!,f=-6.4!) USER MOD Set 3.5: A 69 CYS SG : rot -58:sc= -0.125 USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot -77:sc= 0.436 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00251) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= -0.0933 USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 73 MET CE :methyl -154:sc= -0.226 (180deg=-0.884) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 CYS SG : rot -19:sc= 0.0565 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc= -2.05! C(o=-2!,f=-2.8!) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ -169:sc= 0.261 (180deg=0.198) USER MOD ----------------------------------------------------------------- ATOM 66 N GLU A 8 -3.850 8.331 -0.432 1.00 0.00 N ATOM 67 CA GLU A 8 -2.810 7.746 -1.270 1.00 0.00 C ATOM 68 C GLU A 8 -3.011 6.240 -1.414 1.00 0.00 C ATOM 69 O GLU A 8 -3.614 5.585 -0.564 1.00 0.00 O ATOM 70 CB GLU A 8 -1.428 8.034 -0.682 1.00 0.00 C ATOM 71 CG GLU A 8 -1.016 9.493 -0.780 1.00 0.00 C ATOM 72 CD GLU A 8 0.127 9.841 0.154 1.00 0.00 C ATOM 73 OE1 GLU A 8 0.034 9.506 1.354 1.00 0.00 O ATOM 74 OE2 GLU A 8 1.113 10.448 -0.314 1.00 0.00 O ATOM 0 HA GLU A 8 -2.877 8.200 -2.259 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -1.418 7.732 0.365 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -0.688 7.421 -1.197 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -0.722 9.716 -1.806 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -1.874 10.125 -0.550 1.00 0.00 H new ATOM 81 N PRO A 9 -2.493 5.677 -2.516 1.00 0.00 N ATOM 82 CA PRO A 9 -2.602 4.243 -2.798 1.00 0.00 C ATOM 83 C PRO A 9 -1.755 3.400 -1.851 1.00 0.00 C ATOM 84 O PRO A 9 -2.240 2.433 -1.265 1.00 0.00 O ATOM 85 CB PRO A 9 -2.081 4.123 -4.232 1.00 0.00 C ATOM 86 CG PRO A 9 -1.175 5.292 -4.405 1.00 0.00 C ATOM 87 CD PRO A 9 -1.762 6.398 -3.571 1.00 0.00 C ATOM 0 HA PRO A 9 -3.621 3.878 -2.668 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -1.549 3.184 -4.382 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -2.898 4.145 -4.953 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -0.163 5.053 -4.079 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -1.112 5.585 -5.453 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -0.987 7.042 -3.155 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -2.425 7.034 -4.157 1.00 0.00 H new ATOM 95 N GLU A 10 -0.488 3.773 -1.707 1.00 0.00 N ATOM 96 CA GLU A 10 0.426 3.050 -0.831 1.00 0.00 C ATOM 97 C GLU A 10 -0.290 2.576 0.431 1.00 0.00 C ATOM 98 O GLU A 10 -0.069 1.460 0.900 1.00 0.00 O ATOM 99 CB GLU A 10 1.615 3.937 -0.452 1.00 0.00 C ATOM 100 CG GLU A 10 2.898 3.162 -0.207 1.00 0.00 C ATOM 101 CD GLU A 10 3.732 3.001 -1.463 1.00 0.00 C ATOM 102 OE1 GLU A 10 3.142 2.919 -2.561 1.00 0.00 O ATOM 103 OE2 GLU A 10 4.975 2.956 -1.348 1.00 0.00 O ATOM 0 H GLU A 10 -0.071 4.571 -2.185 1.00 0.00 H new ATOM 0 HA GLU A 10 0.791 2.177 -1.372 1.00 0.00 H new ATOM 0 HB2 GLU A 10 1.785 4.662 -1.248 1.00 0.00 H new ATOM 0 HB3 GLU A 10 1.365 4.502 0.446 1.00 0.00 H new ATOM 0 HG2 GLU A 10 3.488 3.674 0.553 1.00 0.00 H new ATOM 0 HG3 GLU A 10 2.653 2.177 0.190 1.00 0.00 H new ATOM 110 N GLN A 11 -1.149 3.432 0.973 1.00 0.00 N ATOM 111 CA GLN A 11 -1.897 3.102 2.181 1.00 0.00 C ATOM 112 C GLN A 11 -3.004 2.097 1.877 1.00 0.00 C ATOM 113 O GLN A 11 -3.149 1.090 2.570 1.00 0.00 O ATOM 114 CB GLN A 11 -2.496 4.367 2.798 1.00 0.00 C ATOM 115 CG GLN A 11 -1.481 5.221 3.541 1.00 0.00 C ATOM 116 CD GLN A 11 -2.057 6.546 3.999 1.00 0.00 C ATOM 117 OE1 GLN A 11 -3.234 6.637 4.347 1.00 0.00 O ATOM 118 NE2 GLN A 11 -1.227 7.583 4.001 1.00 0.00 N ATOM 0 H GLN A 11 -1.345 4.359 0.596 1.00 0.00 H new ATOM 0 HA GLN A 11 -1.207 2.651 2.894 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -2.953 4.965 2.009 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -3.293 4.084 3.486 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -1.113 4.670 4.407 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -0.624 5.406 2.893 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -0.259 7.462 3.704 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -1.558 8.501 4.299 1.00 0.00 H new ATOM 127 N VAL A 12 -3.783 2.378 0.838 1.00 0.00 N ATOM 128 CA VAL A 12 -4.877 1.499 0.442 1.00 0.00 C ATOM 129 C VAL A 12 -4.409 0.051 0.342 1.00 0.00 C ATOM 130 O VAL A 12 -5.150 -0.875 0.672 1.00 0.00 O ATOM 131 CB VAL A 12 -5.480 1.927 -0.909 1.00 0.00 C ATOM 132 CG1 VAL A 12 -6.596 0.978 -1.320 1.00 0.00 C ATOM 133 CG2 VAL A 12 -5.987 3.359 -0.836 1.00 0.00 C ATOM 0 H VAL A 12 -3.677 3.208 0.255 1.00 0.00 H new ATOM 0 HA VAL A 12 -5.642 1.578 1.214 1.00 0.00 H new ATOM 0 HB VAL A 12 -4.698 1.881 -1.667 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -7.010 1.296 -2.277 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -6.198 -0.032 -1.415 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -7.380 0.989 -0.563 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -6.410 3.645 -1.799 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -6.755 3.434 -0.066 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -5.160 4.026 -0.590 1.00 0.00 H new ATOM 143 N ILE A 13 -3.175 -0.136 -0.116 1.00 0.00 N ATOM 144 CA ILE A 13 -2.608 -1.471 -0.258 1.00 0.00 C ATOM 145 C ILE A 13 -2.430 -2.140 1.101 1.00 0.00 C ATOM 146 O ILE A 13 -2.993 -3.205 1.358 1.00 0.00 O ATOM 147 CB ILE A 13 -1.248 -1.431 -0.980 1.00 0.00 C ATOM 148 CG1 ILE A 13 -1.406 -0.830 -2.378 1.00 0.00 C ATOM 149 CG2 ILE A 13 -0.651 -2.827 -1.062 1.00 0.00 C ATOM 150 CD1 ILE A 13 -2.440 -1.538 -3.227 1.00 0.00 C ATOM 0 H ILE A 13 -2.550 0.620 -0.395 1.00 0.00 H new ATOM 0 HA ILE A 13 -3.311 -2.051 -0.856 1.00 0.00 H new ATOM 0 HB ILE A 13 -0.568 -0.799 -0.408 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -1.682 0.220 -2.284 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -0.444 -0.862 -2.889 1.00 0.00 H new ATOM 0 HG21 ILE A 13 0.310 -2.782 -1.575 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -0.507 -3.221 -0.056 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -1.327 -3.480 -1.614 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -2.499 -1.059 -4.204 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -2.155 -2.583 -3.352 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -3.412 -1.483 -2.737 1.00 0.00 H new ATOM 162 N ARG A 14 -1.645 -1.508 1.967 1.00 0.00 N ATOM 163 CA ARG A 14 -1.394 -2.042 3.300 1.00 0.00 C ATOM 164 C ARG A 14 -2.699 -2.217 4.071 1.00 0.00 C ATOM 165 O ARG A 14 -2.860 -3.170 4.833 1.00 0.00 O ATOM 166 CB ARG A 14 -0.452 -1.117 4.074 1.00 0.00 C ATOM 167 CG ARG A 14 0.935 -1.009 3.460 1.00 0.00 C ATOM 168 CD ARG A 14 1.817 -2.177 3.869 1.00 0.00 C ATOM 169 NE ARG A 14 3.238 -1.854 3.761 1.00 0.00 N ATOM 170 CZ ARG A 14 3.913 -1.188 4.691 1.00 0.00 C ATOM 171 NH1 ARG A 14 3.300 -0.777 5.793 1.00 0.00 N ATOM 172 NH2 ARG A 14 5.203 -0.933 4.520 1.00 0.00 N ATOM 0 H ARG A 14 -1.172 -0.626 1.770 1.00 0.00 H new ATOM 0 HA ARG A 14 -0.924 -3.019 3.190 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -0.895 -0.123 4.127 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -0.360 -1.480 5.098 1.00 0.00 H new ATOM 0 HG2 ARG A 14 0.852 -0.977 2.374 1.00 0.00 H new ATOM 0 HG3 ARG A 14 1.400 -0.074 3.771 1.00 0.00 H new ATOM 0 HD2 ARG A 14 1.587 -2.463 4.895 1.00 0.00 H new ATOM 0 HD3 ARG A 14 1.592 -3.039 3.240 1.00 0.00 H new ATOM 0 HE ARG A 14 3.739 -2.157 2.926 1.00 0.00 H new ATOM 0 HH11 ARG A 14 2.308 -0.972 5.928 1.00 0.00 H new ATOM 0 HH12 ARG A 14 3.821 -0.266 6.506 1.00 0.00 H new ATOM 0 HH21 ARG A 14 5.677 -1.248 3.674 1.00 0.00 H new ATOM 0 HH22 ARG A 14 5.721 -0.421 5.235 1.00 0.00 H new ATOM 186 N LYS A 15 -3.629 -1.289 3.868 1.00 0.00 N ATOM 187 CA LYS A 15 -4.920 -1.340 4.543 1.00 0.00 C ATOM 188 C LYS A 15 -5.620 -2.669 4.279 1.00 0.00 C ATOM 189 O LYS A 15 -6.341 -3.183 5.135 1.00 0.00 O ATOM 190 CB LYS A 15 -5.807 -0.183 4.077 1.00 0.00 C ATOM 191 CG LYS A 15 -7.216 -0.231 4.643 1.00 0.00 C ATOM 192 CD LYS A 15 -8.088 0.870 4.063 1.00 0.00 C ATOM 193 CE LYS A 15 -9.204 1.259 5.019 1.00 0.00 C ATOM 194 NZ LYS A 15 -9.712 2.633 4.750 1.00 0.00 N ATOM 0 H LYS A 15 -3.512 -0.493 3.241 1.00 0.00 H new ATOM 0 HA LYS A 15 -4.746 -1.248 5.615 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -5.341 0.760 4.364 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -5.861 -0.193 2.988 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -7.663 -1.202 4.428 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -7.177 -0.132 5.728 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -7.474 1.744 3.844 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -8.517 0.536 3.118 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -10.023 0.545 4.930 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -8.840 1.201 6.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -10.472 2.860 5.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -8.937 3.317 4.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -10.083 2.682 3.780 1.00 0.00 H new ATOM 208 N TYR A 16 -5.402 -3.222 3.090 1.00 0.00 N ATOM 209 CA TYR A 16 -6.013 -4.491 2.714 1.00 0.00 C ATOM 210 C TYR A 16 -5.018 -5.638 2.858 1.00 0.00 C ATOM 211 O TYR A 16 -5.405 -6.794 3.037 1.00 0.00 O ATOM 212 CB TYR A 16 -6.529 -4.426 1.276 1.00 0.00 C ATOM 213 CG TYR A 16 -7.552 -3.337 1.048 1.00 0.00 C ATOM 214 CD1 TYR A 16 -8.620 -3.165 1.921 1.00 0.00 C ATOM 215 CD2 TYR A 16 -7.451 -2.478 -0.040 1.00 0.00 C ATOM 216 CE1 TYR A 16 -9.557 -2.172 1.716 1.00 0.00 C ATOM 217 CE2 TYR A 16 -8.384 -1.480 -0.251 1.00 0.00 C ATOM 218 CZ TYR A 16 -9.435 -1.332 0.629 1.00 0.00 C ATOM 219 OH TYR A 16 -10.366 -0.340 0.423 1.00 0.00 O ATOM 0 H TYR A 16 -4.807 -2.811 2.371 1.00 0.00 H new ATOM 0 HA TYR A 16 -6.851 -4.675 3.386 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -5.686 -4.267 0.603 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -6.970 -5.388 1.013 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -8.718 -3.820 2.774 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -6.630 -2.592 -0.732 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -10.381 -2.054 2.403 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -8.290 -0.820 -1.101 1.00 0.00 H new ATOM 0 HH TYR A 16 -10.134 0.163 -0.385 1.00 0.00 H new ATOM 229 N THR A 17 -3.732 -5.311 2.779 1.00 0.00 N ATOM 230 CA THR A 17 -2.679 -6.312 2.900 1.00 0.00 C ATOM 231 C THR A 17 -1.830 -6.070 4.142 1.00 0.00 C ATOM 232 O THR A 17 -1.334 -4.965 4.360 1.00 0.00 O ATOM 233 CB THR A 17 -1.765 -6.318 1.660 1.00 0.00 C ATOM 234 OG1 THR A 17 -1.195 -5.019 1.466 1.00 0.00 O ATOM 235 CG2 THR A 17 -2.541 -6.728 0.418 1.00 0.00 C ATOM 0 H THR A 17 -3.394 -4.360 2.632 1.00 0.00 H new ATOM 0 HA THR A 17 -3.172 -7.281 2.984 1.00 0.00 H new ATOM 0 HB THR A 17 -0.968 -7.043 1.826 1.00 0.00 H new ATOM 0 HG1 THR A 17 -1.865 -4.424 1.070 1.00 0.00 H new ATOM 0 HG21 THR A 17 -1.875 -6.725 -0.445 1.00 0.00 H new ATOM 0 HG22 THR A 17 -2.949 -7.729 0.558 1.00 0.00 H new ATOM 0 HG23 THR A 17 -3.356 -6.024 0.249 1.00 0.00 H new ATOM 243 N GLU A 18 -1.666 -7.110 4.954 1.00 0.00 N ATOM 244 CA GLU A 18 -0.876 -7.009 6.175 1.00 0.00 C ATOM 245 C GLU A 18 0.500 -7.641 5.986 1.00 0.00 C ATOM 246 O GLU A 18 0.633 -8.863 5.952 1.00 0.00 O ATOM 247 CB GLU A 18 -1.605 -7.685 7.338 1.00 0.00 C ATOM 248 CG GLU A 18 -1.290 -7.072 8.692 1.00 0.00 C ATOM 249 CD GLU A 18 -1.382 -8.078 9.823 1.00 0.00 C ATOM 250 OE1 GLU A 18 -0.385 -8.790 10.066 1.00 0.00 O ATOM 251 OE2 GLU A 18 -2.450 -8.153 10.466 1.00 0.00 O ATOM 0 H GLU A 18 -2.070 -8.032 4.788 1.00 0.00 H new ATOM 0 HA GLU A 18 -0.743 -5.952 6.405 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -2.680 -7.629 7.164 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -1.340 -8.742 7.357 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -0.287 -6.647 8.670 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -1.980 -6.251 8.884 1.00 0.00 H new ATOM 258 N GLU A 19 1.520 -6.797 5.864 1.00 0.00 N ATOM 259 CA GLU A 19 2.886 -7.273 5.678 1.00 0.00 C ATOM 260 C GLU A 19 3.212 -8.391 6.664 1.00 0.00 C ATOM 261 O GLU A 19 2.984 -8.258 7.867 1.00 0.00 O ATOM 262 CB GLU A 19 3.879 -6.121 5.848 1.00 0.00 C ATOM 263 CG GLU A 19 5.309 -6.493 5.496 1.00 0.00 C ATOM 264 CD GLU A 19 6.323 -5.518 6.063 1.00 0.00 C ATOM 265 OE1 GLU A 19 6.049 -4.935 7.133 1.00 0.00 O ATOM 266 OE2 GLU A 19 7.388 -5.338 5.437 1.00 0.00 O ATOM 0 H GLU A 19 1.427 -5.782 5.891 1.00 0.00 H new ATOM 0 HA GLU A 19 2.971 -7.669 4.666 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.565 -5.286 5.221 1.00 0.00 H new ATOM 0 HB3 GLU A 19 3.847 -5.774 6.881 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.523 -7.493 5.872 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.414 -6.531 4.412 1.00 0.00 H new ATOM 273 N LEU A 20 3.746 -9.491 6.146 1.00 0.00 N ATOM 274 CA LEU A 20 4.104 -10.634 6.980 1.00 0.00 C ATOM 275 C LEU A 20 5.562 -10.551 7.421 1.00 0.00 C ATOM 276 O LEU A 20 6.424 -10.098 6.669 1.00 0.00 O ATOM 277 CB LEU A 20 3.862 -11.940 6.221 1.00 0.00 C ATOM 278 CG LEU A 20 2.483 -12.098 5.580 1.00 0.00 C ATOM 279 CD1 LEU A 20 2.390 -13.420 4.834 1.00 0.00 C ATOM 280 CD2 LEU A 20 1.390 -12.000 6.634 1.00 0.00 C ATOM 0 H LEU A 20 3.941 -9.616 5.153 1.00 0.00 H new ATOM 0 HA LEU A 20 3.473 -10.616 7.869 1.00 0.00 H new ATOM 0 HB2 LEU A 20 4.616 -12.027 5.439 1.00 0.00 H new ATOM 0 HB3 LEU A 20 4.018 -12.771 6.909 1.00 0.00 H new ATOM 0 HG LEU A 20 2.342 -11.289 4.863 1.00 0.00 H new ATOM 0 HD11 LEU A 20 1.402 -13.515 4.384 1.00 0.00 H new ATOM 0 HD12 LEU A 20 3.149 -13.451 4.052 1.00 0.00 H new ATOM 0 HD13 LEU A 20 2.553 -14.243 5.530 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.415 -12.115 6.159 1.00 0.00 H new ATOM 0 HD22 LEU A 20 1.528 -12.787 7.375 1.00 0.00 H new ATOM 0 HD23 LEU A 20 1.443 -11.028 7.124 1.00 0.00 H new ATOM 292 N LYS A 21 5.830 -10.993 8.645 1.00 0.00 N ATOM 293 CA LYS A 21 7.184 -10.973 9.186 1.00 0.00 C ATOM 294 C LYS A 21 8.187 -11.499 8.164 1.00 0.00 C ATOM 295 O LYS A 21 9.338 -11.064 8.128 1.00 0.00 O ATOM 296 CB LYS A 21 7.256 -11.811 10.465 1.00 0.00 C ATOM 297 CG LYS A 21 6.570 -11.164 11.655 1.00 0.00 C ATOM 298 CD LYS A 21 7.441 -10.089 12.285 1.00 0.00 C ATOM 299 CE LYS A 21 6.606 -9.062 13.033 1.00 0.00 C ATOM 300 NZ LYS A 21 7.421 -7.894 13.467 1.00 0.00 N ATOM 0 H LYS A 21 5.127 -11.370 9.281 1.00 0.00 H new ATOM 0 HA LYS A 21 7.440 -9.940 9.420 1.00 0.00 H new ATOM 0 HB2 LYS A 21 6.801 -12.784 10.278 1.00 0.00 H new ATOM 0 HB3 LYS A 21 8.302 -11.991 10.713 1.00 0.00 H new ATOM 0 HG2 LYS A 21 5.624 -10.727 11.337 1.00 0.00 H new ATOM 0 HG3 LYS A 21 6.335 -11.925 12.399 1.00 0.00 H new ATOM 0 HD2 LYS A 21 8.152 -10.551 12.971 1.00 0.00 H new ATOM 0 HD3 LYS A 21 8.024 -9.591 11.510 1.00 0.00 H new ATOM 0 HE2 LYS A 21 5.793 -8.720 12.393 1.00 0.00 H new ATOM 0 HE3 LYS A 21 6.150 -9.531 13.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 6.815 -7.217 13.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 8.182 -8.217 14.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 7.836 -7.431 12.633 1.00 0.00 H new ATOM 314 N VAL A 22 7.742 -12.437 7.333 1.00 0.00 N ATOM 315 CA VAL A 22 8.599 -13.020 6.308 1.00 0.00 C ATOM 316 C VAL A 22 7.773 -13.631 5.183 1.00 0.00 C ATOM 317 O VAL A 22 6.842 -14.398 5.429 1.00 0.00 O ATOM 318 CB VAL A 22 9.523 -14.102 6.899 1.00 0.00 C ATOM 319 CG1 VAL A 22 10.409 -14.696 5.815 1.00 0.00 C ATOM 320 CG2 VAL A 22 10.362 -13.526 8.029 1.00 0.00 C ATOM 0 H VAL A 22 6.792 -12.809 7.350 1.00 0.00 H new ATOM 0 HA VAL A 22 9.209 -12.211 5.907 1.00 0.00 H new ATOM 0 HB VAL A 22 8.904 -14.901 7.308 1.00 0.00 H new ATOM 0 HG11 VAL A 22 11.055 -15.458 6.250 1.00 0.00 H new ATOM 0 HG12 VAL A 22 9.786 -15.146 5.042 1.00 0.00 H new ATOM 0 HG13 VAL A 22 11.022 -13.910 5.374 1.00 0.00 H new ATOM 0 HG21 VAL A 22 11.009 -14.304 8.435 1.00 0.00 H new ATOM 0 HG22 VAL A 22 10.973 -12.708 7.648 1.00 0.00 H new ATOM 0 HG23 VAL A 22 9.706 -13.153 8.815 1.00 0.00 H new ATOM 330 N ALA A 23 8.120 -13.288 3.947 1.00 0.00 N ATOM 331 CA ALA A 23 7.412 -13.805 2.783 1.00 0.00 C ATOM 332 C ALA A 23 7.109 -15.291 2.940 1.00 0.00 C ATOM 333 O ALA A 23 7.988 -16.101 3.236 1.00 0.00 O ATOM 334 CB ALA A 23 8.224 -13.561 1.519 1.00 0.00 C ATOM 0 H ALA A 23 8.888 -12.654 3.726 1.00 0.00 H new ATOM 0 HA ALA A 23 6.464 -13.274 2.701 1.00 0.00 H new ATOM 0 HB1 ALA A 23 7.683 -13.952 0.658 1.00 0.00 H new ATOM 0 HB2 ALA A 23 8.385 -12.491 1.391 1.00 0.00 H new ATOM 0 HB3 ALA A 23 9.187 -14.065 1.602 1.00 0.00 H new ATOM 340 N PRO A 24 5.835 -15.661 2.739 1.00 0.00 N ATOM 341 CA PRO A 24 5.387 -17.052 2.854 1.00 0.00 C ATOM 342 C PRO A 24 5.922 -17.928 1.726 1.00 0.00 C ATOM 343 O PRO A 24 6.721 -17.479 0.906 1.00 0.00 O ATOM 344 CB PRO A 24 3.863 -16.942 2.768 1.00 0.00 C ATOM 345 CG PRO A 24 3.616 -15.682 2.012 1.00 0.00 C ATOM 346 CD PRO A 24 4.735 -14.749 2.384 1.00 0.00 C ATOM 0 HA PRO A 24 5.743 -17.520 3.771 1.00 0.00 H new ATOM 0 HB2 PRO A 24 3.432 -17.802 2.255 1.00 0.00 H new ATOM 0 HB3 PRO A 24 3.412 -16.903 3.760 1.00 0.00 H new ATOM 0 HG2 PRO A 24 3.604 -15.868 0.938 1.00 0.00 H new ATOM 0 HG3 PRO A 24 2.648 -15.254 2.273 1.00 0.00 H new ATOM 0 HD2 PRO A 24 5.006 -14.096 1.555 1.00 0.00 H new ATOM 0 HD3 PRO A 24 4.461 -14.106 3.220 1.00 0.00 H new ATOM 354 N GLU A 25 5.475 -19.179 1.692 1.00 0.00 N ATOM 355 CA GLU A 25 5.910 -20.118 0.664 1.00 0.00 C ATOM 356 C GLU A 25 4.927 -20.141 -0.503 1.00 0.00 C ATOM 357 O GLU A 25 4.761 -21.163 -1.167 1.00 0.00 O ATOM 358 CB GLU A 25 6.053 -21.523 1.253 1.00 0.00 C ATOM 359 CG GLU A 25 4.770 -22.061 1.862 1.00 0.00 C ATOM 360 CD GLU A 25 4.992 -23.329 2.665 1.00 0.00 C ATOM 361 OE1 GLU A 25 5.838 -23.310 3.583 1.00 0.00 O ATOM 362 OE2 GLU A 25 4.318 -24.339 2.374 1.00 0.00 O ATOM 0 H GLU A 25 4.812 -19.566 2.364 1.00 0.00 H new ATOM 0 HA GLU A 25 6.880 -19.787 0.293 1.00 0.00 H new ATOM 0 HB2 GLU A 25 6.387 -22.204 0.470 1.00 0.00 H new ATOM 0 HB3 GLU A 25 6.830 -21.510 2.017 1.00 0.00 H new ATOM 0 HG2 GLU A 25 4.331 -21.299 2.506 1.00 0.00 H new ATOM 0 HG3 GLU A 25 4.051 -22.260 1.068 1.00 0.00 H new ATOM 369 N GLU A 26 4.278 -19.006 -0.745 1.00 0.00 N ATOM 370 CA GLU A 26 3.310 -18.897 -1.830 1.00 0.00 C ATOM 371 C GLU A 26 3.969 -18.352 -3.094 1.00 0.00 C ATOM 372 O GLU A 26 5.156 -18.022 -3.095 1.00 0.00 O ATOM 373 CB GLU A 26 2.147 -17.992 -1.417 1.00 0.00 C ATOM 374 CG GLU A 26 0.996 -18.740 -0.767 1.00 0.00 C ATOM 375 CD GLU A 26 1.376 -19.347 0.570 1.00 0.00 C ATOM 376 OE1 GLU A 26 2.240 -20.249 0.588 1.00 0.00 O ATOM 377 OE2 GLU A 26 0.809 -18.921 1.598 1.00 0.00 O ATOM 0 H GLU A 26 4.405 -18.150 -0.205 1.00 0.00 H new ATOM 0 HA GLU A 26 2.926 -19.895 -2.042 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.515 -17.235 -0.724 1.00 0.00 H new ATOM 0 HB3 GLU A 26 1.777 -17.466 -2.297 1.00 0.00 H new ATOM 0 HG2 GLU A 26 0.157 -18.058 -0.627 1.00 0.00 H new ATOM 0 HG3 GLU A 26 0.656 -19.530 -1.437 1.00 0.00 H new ATOM 384 N ASP A 27 3.192 -18.261 -4.167 1.00 0.00 N ATOM 385 CA ASP A 27 3.699 -17.756 -5.438 1.00 0.00 C ATOM 386 C ASP A 27 2.831 -16.612 -5.953 1.00 0.00 C ATOM 387 O ASP A 27 1.603 -16.680 -5.903 1.00 0.00 O ATOM 388 CB ASP A 27 3.751 -18.880 -6.474 1.00 0.00 C ATOM 389 CG ASP A 27 4.070 -20.226 -5.853 1.00 0.00 C ATOM 390 OD1 ASP A 27 5.120 -20.337 -5.185 1.00 0.00 O ATOM 391 OD2 ASP A 27 3.270 -21.167 -6.033 1.00 0.00 O ATOM 0 H ASP A 27 2.208 -18.530 -4.183 1.00 0.00 H new ATOM 0 HA ASP A 27 4.708 -17.377 -5.274 1.00 0.00 H new ATOM 0 HB2 ASP A 27 2.793 -18.939 -6.990 1.00 0.00 H new ATOM 0 HB3 ASP A 27 4.504 -18.643 -7.226 1.00 0.00 H new ATOM 396 N CYS A 28 3.478 -15.561 -6.446 1.00 0.00 N ATOM 397 CA CYS A 28 2.767 -14.401 -6.969 1.00 0.00 C ATOM 398 C CYS A 28 2.370 -14.618 -8.427 1.00 0.00 C ATOM 399 O CYS A 28 3.207 -14.955 -9.265 1.00 0.00 O ATOM 400 CB CYS A 28 3.634 -13.147 -6.846 1.00 0.00 C ATOM 401 SG CYS A 28 2.927 -11.673 -7.650 1.00 0.00 S ATOM 0 H CYS A 28 4.494 -15.489 -6.494 1.00 0.00 H new ATOM 0 HA CYS A 28 1.860 -14.266 -6.380 1.00 0.00 H new ATOM 0 HB2 CYS A 28 3.793 -12.930 -5.790 1.00 0.00 H new ATOM 0 HB3 CYS A 28 4.613 -13.351 -7.281 1.00 0.00 H new ATOM 0 HG CYS A 28 2.748 -10.739 -6.764 1.00 0.00 H new ATOM 406 N ILE A 29 1.089 -14.422 -8.721 1.00 0.00 N ATOM 407 CA ILE A 29 0.582 -14.594 -10.077 1.00 0.00 C ATOM 408 C ILE A 29 0.749 -13.317 -10.893 1.00 0.00 C ATOM 409 O ILE A 29 0.884 -13.362 -12.116 1.00 0.00 O ATOM 410 CB ILE A 29 -0.904 -14.999 -10.075 1.00 0.00 C ATOM 411 CG1 ILE A 29 -1.738 -13.955 -9.330 1.00 0.00 C ATOM 412 CG2 ILE A 29 -1.077 -16.372 -9.444 1.00 0.00 C ATOM 413 CD1 ILE A 29 -3.200 -13.961 -9.719 1.00 0.00 C ATOM 0 H ILE A 29 0.384 -14.144 -8.039 1.00 0.00 H new ATOM 0 HA ILE A 29 1.167 -15.392 -10.534 1.00 0.00 H new ATOM 0 HB ILE A 29 -1.254 -15.048 -11.106 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -1.655 -14.133 -8.258 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -1.323 -12.966 -9.522 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -2.132 -16.645 -9.450 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -0.509 -17.108 -10.013 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -0.714 -16.349 -8.417 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -3.731 -13.196 -9.152 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -3.294 -13.753 -10.785 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -3.631 -14.938 -9.501 1.00 0.00 H new ATOM 425 N ILE A 30 0.739 -12.178 -10.207 1.00 0.00 N ATOM 426 CA ILE A 30 0.892 -10.888 -10.868 1.00 0.00 C ATOM 427 C ILE A 30 2.205 -10.818 -11.641 1.00 0.00 C ATOM 428 O ILE A 30 2.253 -10.305 -12.759 1.00 0.00 O ATOM 429 CB ILE A 30 0.842 -9.728 -9.856 1.00 0.00 C ATOM 430 CG1 ILE A 30 -0.524 -9.680 -9.169 1.00 0.00 C ATOM 431 CG2 ILE A 30 1.139 -8.407 -10.550 1.00 0.00 C ATOM 432 CD1 ILE A 30 -0.556 -8.783 -7.952 1.00 0.00 C ATOM 0 H ILE A 30 0.627 -12.123 -9.195 1.00 0.00 H new ATOM 0 HA ILE A 30 0.059 -10.789 -11.564 1.00 0.00 H new ATOM 0 HB ILE A 30 1.604 -9.896 -9.095 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -1.270 -9.335 -9.885 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -0.809 -10.690 -8.874 1.00 0.00 H new ATOM 0 HG21 ILE A 30 1.100 -7.597 -9.822 1.00 0.00 H new ATOM 0 HG22 ILE A 30 2.132 -8.446 -10.997 1.00 0.00 H new ATOM 0 HG23 ILE A 30 0.398 -8.231 -11.329 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -1.555 -8.797 -7.516 1.00 0.00 H new ATOM 0 HD12 ILE A 30 0.166 -9.140 -7.218 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -0.302 -7.764 -8.244 1.00 0.00 H new ATOM 444 N CYS A 31 3.268 -11.340 -11.038 1.00 0.00 N ATOM 445 CA CYS A 31 4.582 -11.339 -11.669 1.00 0.00 C ATOM 446 C CYS A 31 5.043 -12.762 -11.969 1.00 0.00 C ATOM 447 O CYS A 31 6.088 -12.970 -12.584 1.00 0.00 O ATOM 448 CB CYS A 31 5.603 -10.640 -10.769 1.00 0.00 C ATOM 449 SG CYS A 31 5.906 -11.492 -9.188 1.00 0.00 S ATOM 0 H CYS A 31 3.245 -11.769 -10.113 1.00 0.00 H new ATOM 0 HA CYS A 31 4.504 -10.795 -12.610 1.00 0.00 H new ATOM 0 HB2 CYS A 31 6.546 -10.551 -11.308 1.00 0.00 H new ATOM 0 HB3 CYS A 31 5.257 -9.627 -10.563 1.00 0.00 H new ATOM 0 HG CYS A 31 4.876 -11.341 -8.409 1.00 0.00 H new ATOM 454 N MET A 32 4.255 -13.738 -11.531 1.00 0.00 N ATOM 455 CA MET A 32 4.581 -15.142 -11.753 1.00 0.00 C ATOM 456 C MET A 32 5.972 -15.468 -11.221 1.00 0.00 C ATOM 457 O MET A 32 6.790 -16.063 -11.922 1.00 0.00 O ATOM 458 CB MET A 32 4.501 -15.475 -13.244 1.00 0.00 C ATOM 459 CG MET A 32 3.080 -15.661 -13.751 1.00 0.00 C ATOM 460 SD MET A 32 3.002 -15.876 -15.539 1.00 0.00 S ATOM 461 CE MET A 32 2.929 -17.661 -15.663 1.00 0.00 C ATOM 0 H MET A 32 3.386 -13.583 -11.020 1.00 0.00 H new ATOM 0 HA MET A 32 3.854 -15.748 -11.213 1.00 0.00 H new ATOM 0 HB2 MET A 32 4.979 -14.677 -13.812 1.00 0.00 H new ATOM 0 HB3 MET A 32 5.068 -16.386 -13.435 1.00 0.00 H new ATOM 0 HG2 MET A 32 2.636 -16.530 -13.265 1.00 0.00 H new ATOM 0 HG3 MET A 32 2.481 -14.796 -13.467 1.00 0.00 H new ATOM 0 HE1 MET A 32 2.877 -17.951 -16.712 1.00 0.00 H new ATOM 0 HE2 MET A 32 3.821 -18.094 -15.211 1.00 0.00 H new ATOM 0 HE3 MET A 32 2.044 -18.026 -15.141 1.00 0.00 H new ATOM 471 N GLU A 33 6.233 -15.074 -9.978 1.00 0.00 N ATOM 472 CA GLU A 33 7.527 -15.324 -9.354 1.00 0.00 C ATOM 473 C GLU A 33 7.360 -15.685 -7.881 1.00 0.00 C ATOM 474 O GLU A 33 6.410 -15.254 -7.228 1.00 0.00 O ATOM 475 CB GLU A 33 8.430 -14.095 -9.490 1.00 0.00 C ATOM 476 CG GLU A 33 8.977 -13.894 -10.893 1.00 0.00 C ATOM 477 CD GLU A 33 10.292 -14.617 -11.115 1.00 0.00 C ATOM 478 OE1 GLU A 33 10.297 -15.865 -11.073 1.00 0.00 O ATOM 479 OE2 GLU A 33 11.315 -13.934 -11.330 1.00 0.00 O ATOM 0 H GLU A 33 5.566 -14.581 -9.384 1.00 0.00 H new ATOM 0 HA GLU A 33 7.992 -16.166 -9.866 1.00 0.00 H new ATOM 0 HB2 GLU A 33 7.868 -13.208 -9.198 1.00 0.00 H new ATOM 0 HB3 GLU A 33 9.264 -14.188 -8.794 1.00 0.00 H new ATOM 0 HG2 GLU A 33 8.245 -14.248 -11.619 1.00 0.00 H new ATOM 0 HG3 GLU A 33 9.117 -12.829 -11.075 1.00 0.00 H new ATOM 486 N LYS A 34 8.290 -16.481 -7.364 1.00 0.00 N ATOM 487 CA LYS A 34 8.248 -16.902 -5.969 1.00 0.00 C ATOM 488 C LYS A 34 8.479 -15.717 -5.036 1.00 0.00 C ATOM 489 O LYS A 34 9.502 -15.037 -5.122 1.00 0.00 O ATOM 490 CB LYS A 34 9.300 -17.982 -5.709 1.00 0.00 C ATOM 491 CG LYS A 34 8.781 -19.396 -5.905 1.00 0.00 C ATOM 492 CD LYS A 34 9.882 -20.333 -6.375 1.00 0.00 C ATOM 493 CE LYS A 34 10.041 -20.293 -7.887 1.00 0.00 C ATOM 494 NZ LYS A 34 8.983 -21.081 -8.577 1.00 0.00 N ATOM 0 H LYS A 34 9.083 -16.848 -7.891 1.00 0.00 H new ATOM 0 HA LYS A 34 7.258 -17.312 -5.769 1.00 0.00 H new ATOM 0 HB2 LYS A 34 10.148 -17.819 -6.375 1.00 0.00 H new ATOM 0 HB3 LYS A 34 9.671 -17.878 -4.689 1.00 0.00 H new ATOM 0 HG2 LYS A 34 8.363 -19.765 -4.968 1.00 0.00 H new ATOM 0 HG3 LYS A 34 7.971 -19.390 -6.634 1.00 0.00 H new ATOM 0 HD2 LYS A 34 10.824 -20.055 -5.902 1.00 0.00 H new ATOM 0 HD3 LYS A 34 9.654 -21.351 -6.059 1.00 0.00 H new ATOM 0 HE2 LYS A 34 10.004 -19.259 -8.229 1.00 0.00 H new ATOM 0 HE3 LYS A 34 11.021 -20.684 -8.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 9.146 -21.057 -9.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 9.012 -22.066 -8.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 8.051 -20.671 -8.365 1.00 0.00 H new ATOM 508 N LEU A 35 7.523 -15.477 -4.145 1.00 0.00 N ATOM 509 CA LEU A 35 7.623 -14.374 -3.195 1.00 0.00 C ATOM 510 C LEU A 35 9.026 -14.293 -2.602 1.00 0.00 C ATOM 511 O LEU A 35 9.524 -13.206 -2.307 1.00 0.00 O ATOM 512 CB LEU A 35 6.594 -14.545 -2.076 1.00 0.00 C ATOM 513 CG LEU A 35 5.126 -14.518 -2.505 1.00 0.00 C ATOM 514 CD1 LEU A 35 4.241 -15.106 -1.417 1.00 0.00 C ATOM 515 CD2 LEU A 35 4.693 -13.097 -2.837 1.00 0.00 C ATOM 0 H LEU A 35 6.671 -16.031 -4.060 1.00 0.00 H new ATOM 0 HA LEU A 35 7.420 -13.446 -3.729 1.00 0.00 H new ATOM 0 HB2 LEU A 35 6.788 -15.493 -1.573 1.00 0.00 H new ATOM 0 HB3 LEU A 35 6.752 -13.756 -1.341 1.00 0.00 H new ATOM 0 HG LEU A 35 5.018 -15.128 -3.402 1.00 0.00 H new ATOM 0 HD11 LEU A 35 3.200 -15.078 -1.740 1.00 0.00 H new ATOM 0 HD12 LEU A 35 4.535 -16.138 -1.227 1.00 0.00 H new ATOM 0 HD13 LEU A 35 4.353 -14.523 -0.503 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.646 -13.097 -3.140 1.00 0.00 H new ATOM 0 HD22 LEU A 35 4.816 -12.464 -1.958 1.00 0.00 H new ATOM 0 HD23 LEU A 35 5.306 -12.711 -3.651 1.00 0.00 H new ATOM 527 N ALA A 36 9.660 -15.448 -2.432 1.00 0.00 N ATOM 528 CA ALA A 36 11.007 -15.507 -1.879 1.00 0.00 C ATOM 529 C ALA A 36 11.909 -14.457 -2.518 1.00 0.00 C ATOM 530 O ALA A 36 12.720 -13.825 -1.840 1.00 0.00 O ATOM 531 CB ALA A 36 11.595 -16.897 -2.069 1.00 0.00 C ATOM 0 H ALA A 36 9.262 -16.357 -2.670 1.00 0.00 H new ATOM 0 HA ALA A 36 10.945 -15.294 -0.812 1.00 0.00 H new ATOM 0 HB1 ALA A 36 12.601 -16.927 -1.651 1.00 0.00 H new ATOM 0 HB2 ALA A 36 10.969 -17.630 -1.560 1.00 0.00 H new ATOM 0 HB3 ALA A 36 11.637 -17.132 -3.133 1.00 0.00 H new ATOM 537 N VAL A 37 11.763 -14.275 -3.827 1.00 0.00 N ATOM 538 CA VAL A 37 12.565 -13.301 -4.557 1.00 0.00 C ATOM 539 C VAL A 37 11.883 -11.938 -4.585 1.00 0.00 C ATOM 540 O VAL A 37 10.789 -11.769 -4.046 1.00 0.00 O ATOM 541 CB VAL A 37 12.827 -13.761 -6.004 1.00 0.00 C ATOM 542 CG1 VAL A 37 13.587 -15.078 -6.016 1.00 0.00 C ATOM 543 CG2 VAL A 37 11.517 -13.885 -6.768 1.00 0.00 C ATOM 0 H VAL A 37 11.097 -14.789 -4.403 1.00 0.00 H new ATOM 0 HA VAL A 37 13.517 -13.218 -4.032 1.00 0.00 H new ATOM 0 HB VAL A 37 13.442 -13.010 -6.500 1.00 0.00 H new ATOM 0 HG11 VAL A 37 13.763 -15.387 -7.046 1.00 0.00 H new ATOM 0 HG12 VAL A 37 14.542 -14.951 -5.507 1.00 0.00 H new ATOM 0 HG13 VAL A 37 13.001 -15.841 -5.503 1.00 0.00 H new ATOM 0 HG21 VAL A 37 11.720 -14.211 -7.788 1.00 0.00 H new ATOM 0 HG22 VAL A 37 10.876 -14.616 -6.275 1.00 0.00 H new ATOM 0 HG23 VAL A 37 11.015 -12.918 -6.789 1.00 0.00 H new ATOM 553 N ALA A 38 12.536 -10.968 -5.216 1.00 0.00 N ATOM 554 CA ALA A 38 11.991 -9.620 -5.317 1.00 0.00 C ATOM 555 C ALA A 38 10.839 -9.566 -6.314 1.00 0.00 C ATOM 556 O ALA A 38 10.604 -10.518 -7.057 1.00 0.00 O ATOM 557 CB ALA A 38 13.083 -8.638 -5.715 1.00 0.00 C ATOM 0 H ALA A 38 13.444 -11.091 -5.665 1.00 0.00 H new ATOM 0 HA ALA A 38 11.603 -9.338 -4.338 1.00 0.00 H new ATOM 0 HB1 ALA A 38 12.662 -7.635 -5.787 1.00 0.00 H new ATOM 0 HB2 ALA A 38 13.872 -8.647 -4.963 1.00 0.00 H new ATOM 0 HB3 ALA A 38 13.498 -8.927 -6.680 1.00 0.00 H new ATOM 563 N SER A 39 10.123 -8.446 -6.324 1.00 0.00 N ATOM 564 CA SER A 39 8.992 -8.270 -7.228 1.00 0.00 C ATOM 565 C SER A 39 9.470 -7.958 -8.642 1.00 0.00 C ATOM 566 O SER A 39 10.454 -7.244 -8.834 1.00 0.00 O ATOM 567 CB SER A 39 8.081 -7.148 -6.726 1.00 0.00 C ATOM 568 OG SER A 39 7.115 -6.800 -7.702 1.00 0.00 O ATOM 0 H SER A 39 10.306 -7.647 -5.717 1.00 0.00 H new ATOM 0 HA SER A 39 8.429 -9.203 -7.252 1.00 0.00 H new ATOM 0 HB2 SER A 39 7.580 -7.464 -5.811 1.00 0.00 H new ATOM 0 HB3 SER A 39 8.681 -6.273 -6.475 1.00 0.00 H new ATOM 0 HG SER A 39 6.401 -7.471 -7.709 1.00 0.00 H new ATOM 574 N GLY A 40 8.766 -8.499 -9.632 1.00 0.00 N ATOM 575 CA GLY A 40 9.133 -8.268 -11.017 1.00 0.00 C ATOM 576 C GLY A 40 8.988 -6.814 -11.420 1.00 0.00 C ATOM 577 O GLY A 40 9.792 -6.294 -12.193 1.00 0.00 O ATOM 0 H GLY A 40 7.948 -9.093 -9.499 1.00 0.00 H new ATOM 0 HA2 GLY A 40 10.164 -8.584 -11.174 1.00 0.00 H new ATOM 0 HA3 GLY A 40 8.508 -8.885 -11.663 1.00 0.00 H new ATOM 581 N TYR A 41 7.959 -6.157 -10.897 1.00 0.00 N ATOM 582 CA TYR A 41 7.708 -4.755 -11.211 1.00 0.00 C ATOM 583 C TYR A 41 8.715 -3.851 -10.506 1.00 0.00 C ATOM 584 O TYR A 41 8.781 -2.651 -10.771 1.00 0.00 O ATOM 585 CB TYR A 41 6.286 -4.366 -10.804 1.00 0.00 C ATOM 586 CG TYR A 41 5.217 -4.978 -11.682 1.00 0.00 C ATOM 587 CD1 TYR A 41 4.977 -6.346 -11.667 1.00 0.00 C ATOM 588 CD2 TYR A 41 4.446 -4.187 -12.525 1.00 0.00 C ATOM 589 CE1 TYR A 41 4.002 -6.909 -12.467 1.00 0.00 C ATOM 590 CE2 TYR A 41 3.468 -4.741 -13.328 1.00 0.00 C ATOM 591 CZ TYR A 41 3.250 -6.102 -13.296 1.00 0.00 C ATOM 592 OH TYR A 41 2.277 -6.659 -14.094 1.00 0.00 O ATOM 0 H TYR A 41 7.285 -6.572 -10.254 1.00 0.00 H new ATOM 0 HA TYR A 41 7.820 -4.624 -12.287 1.00 0.00 H new ATOM 0 HB2 TYR A 41 6.116 -4.672 -9.772 1.00 0.00 H new ATOM 0 HB3 TYR A 41 6.192 -3.280 -10.834 1.00 0.00 H new ATOM 0 HD1 TYR A 41 5.563 -6.980 -11.019 1.00 0.00 H new ATOM 0 HD2 TYR A 41 4.614 -3.121 -12.553 1.00 0.00 H new ATOM 0 HE1 TYR A 41 3.829 -7.975 -12.444 1.00 0.00 H new ATOM 0 HE2 TYR A 41 2.877 -4.112 -13.977 1.00 0.00 H new ATOM 0 HH TYR A 41 1.839 -5.954 -14.616 1.00 0.00 H new ATOM 602 N SER A 42 9.500 -4.438 -9.608 1.00 0.00 N ATOM 603 CA SER A 42 10.503 -3.686 -8.862 1.00 0.00 C ATOM 604 C SER A 42 11.135 -2.608 -9.737 1.00 0.00 C ATOM 605 O SER A 42 11.293 -1.463 -9.314 1.00 0.00 O ATOM 606 CB SER A 42 11.585 -4.627 -8.330 1.00 0.00 C ATOM 607 OG SER A 42 12.501 -3.934 -7.501 1.00 0.00 O ATOM 0 H SER A 42 9.461 -5.431 -9.379 1.00 0.00 H new ATOM 0 HA SER A 42 10.007 -3.202 -8.021 1.00 0.00 H new ATOM 0 HB2 SER A 42 11.122 -5.438 -7.767 1.00 0.00 H new ATOM 0 HB3 SER A 42 12.118 -5.082 -9.165 1.00 0.00 H new ATOM 0 HG SER A 42 13.182 -4.558 -7.173 1.00 0.00 H new ATOM 613 N ASP A 43 11.496 -2.984 -10.959 1.00 0.00 N ATOM 614 CA ASP A 43 12.111 -2.050 -11.896 1.00 0.00 C ATOM 615 C ASP A 43 11.104 -1.001 -12.358 1.00 0.00 C ATOM 616 O ASP A 43 11.378 0.197 -12.315 1.00 0.00 O ATOM 617 CB ASP A 43 12.673 -2.802 -13.103 1.00 0.00 C ATOM 618 CG ASP A 43 14.113 -3.230 -12.899 1.00 0.00 C ATOM 619 OD1 ASP A 43 14.992 -2.345 -12.833 1.00 0.00 O ATOM 620 OD2 ASP A 43 14.361 -4.450 -12.804 1.00 0.00 O ATOM 0 H ASP A 43 11.374 -3.929 -11.324 1.00 0.00 H new ATOM 0 HA ASP A 43 12.927 -1.542 -11.382 1.00 0.00 H new ATOM 0 HB2 ASP A 43 12.060 -3.682 -13.297 1.00 0.00 H new ATOM 0 HB3 ASP A 43 12.607 -2.166 -13.986 1.00 0.00 H new ATOM 625 N MET A 44 9.938 -1.462 -12.800 1.00 0.00 N ATOM 626 CA MET A 44 8.890 -0.563 -13.270 1.00 0.00 C ATOM 627 C MET A 44 8.543 0.471 -12.204 1.00 0.00 C ATOM 628 O MET A 44 8.608 1.676 -12.448 1.00 0.00 O ATOM 629 CB MET A 44 7.640 -1.358 -13.652 1.00 0.00 C ATOM 630 CG MET A 44 6.628 -0.553 -14.451 1.00 0.00 C ATOM 631 SD MET A 44 4.967 -1.249 -14.370 1.00 0.00 S ATOM 632 CE MET A 44 4.086 0.071 -13.540 1.00 0.00 C ATOM 0 H MET A 44 9.695 -2.452 -12.842 1.00 0.00 H new ATOM 0 HA MET A 44 9.262 -0.040 -14.151 1.00 0.00 H new ATOM 0 HB2 MET A 44 7.938 -2.231 -14.233 1.00 0.00 H new ATOM 0 HB3 MET A 44 7.163 -1.727 -12.744 1.00 0.00 H new ATOM 0 HG2 MET A 44 6.607 0.471 -14.077 1.00 0.00 H new ATOM 0 HG3 MET A 44 6.948 -0.506 -15.492 1.00 0.00 H new ATOM 0 HE1 MET A 44 3.040 -0.211 -13.416 1.00 0.00 H new ATOM 0 HE2 MET A 44 4.533 0.247 -12.561 1.00 0.00 H new ATOM 0 HE3 MET A 44 4.148 0.981 -14.136 1.00 0.00 H new ATOM 642 N THR A 45 8.172 -0.007 -11.020 1.00 0.00 N ATOM 643 CA THR A 45 7.813 0.875 -9.917 1.00 0.00 C ATOM 644 C THR A 45 8.962 1.013 -8.926 1.00 0.00 C ATOM 645 O THR A 45 9.332 0.052 -8.251 1.00 0.00 O ATOM 646 CB THR A 45 6.566 0.364 -9.171 1.00 0.00 C ATOM 647 OG1 THR A 45 6.173 1.307 -8.168 1.00 0.00 O ATOM 648 CG2 THR A 45 6.837 -0.987 -8.526 1.00 0.00 C ATOM 0 H THR A 45 8.112 -1.001 -10.801 1.00 0.00 H new ATOM 0 HA THR A 45 7.593 1.850 -10.352 1.00 0.00 H new ATOM 0 HB THR A 45 5.759 0.248 -9.895 1.00 0.00 H new ATOM 0 HG1 THR A 45 5.379 0.975 -7.700 1.00 0.00 H new ATOM 0 HG21 THR A 45 5.942 -1.328 -8.005 1.00 0.00 H new ATOM 0 HG22 THR A 45 7.106 -1.710 -9.296 1.00 0.00 H new ATOM 0 HG23 THR A 45 7.657 -0.892 -7.814 1.00 0.00 H new ATOM 656 N ASP A 46 9.524 2.214 -8.843 1.00 0.00 N ATOM 657 CA ASP A 46 10.632 2.478 -7.932 1.00 0.00 C ATOM 658 C ASP A 46 10.129 3.090 -6.628 1.00 0.00 C ATOM 659 O ASP A 46 10.782 3.954 -6.043 1.00 0.00 O ATOM 660 CB ASP A 46 11.649 3.413 -8.589 1.00 0.00 C ATOM 661 CG ASP A 46 13.005 3.359 -7.914 1.00 0.00 C ATOM 662 OD1 ASP A 46 13.402 2.263 -7.466 1.00 0.00 O ATOM 663 OD2 ASP A 46 13.671 4.413 -7.835 1.00 0.00 O ATOM 0 H ASP A 46 9.231 3.020 -9.395 1.00 0.00 H new ATOM 0 HA ASP A 46 11.117 1.529 -7.704 1.00 0.00 H new ATOM 0 HB2 ASP A 46 11.759 3.145 -9.640 1.00 0.00 H new ATOM 0 HB3 ASP A 46 11.271 4.435 -8.558 1.00 0.00 H new ATOM 668 N SER A 47 8.964 2.635 -6.178 1.00 0.00 N ATOM 669 CA SER A 47 8.371 3.141 -4.945 1.00 0.00 C ATOM 670 C SER A 47 9.363 3.055 -3.789 1.00 0.00 C ATOM 671 O SER A 47 10.082 2.066 -3.645 1.00 0.00 O ATOM 672 CB SER A 47 7.104 2.354 -4.604 1.00 0.00 C ATOM 673 OG SER A 47 5.986 2.851 -5.321 1.00 0.00 O ATOM 0 H SER A 47 8.412 1.917 -6.648 1.00 0.00 H new ATOM 0 HA SER A 47 8.110 4.188 -5.099 1.00 0.00 H new ATOM 0 HB2 SER A 47 7.252 1.300 -4.840 1.00 0.00 H new ATOM 0 HB3 SER A 47 6.910 2.417 -3.533 1.00 0.00 H new ATOM 0 HG SER A 47 5.948 2.426 -6.203 1.00 0.00 H new ATOM 679 N LYS A 48 9.397 4.099 -2.968 1.00 0.00 N ATOM 680 CA LYS A 48 10.299 4.143 -1.823 1.00 0.00 C ATOM 681 C LYS A 48 9.661 3.488 -0.602 1.00 0.00 C ATOM 682 O LYS A 48 10.182 2.509 -0.069 1.00 0.00 O ATOM 683 CB LYS A 48 10.675 5.591 -1.501 1.00 0.00 C ATOM 684 CG LYS A 48 11.925 5.719 -0.647 1.00 0.00 C ATOM 685 CD LYS A 48 13.186 5.655 -1.492 1.00 0.00 C ATOM 686 CE LYS A 48 14.365 6.303 -0.783 1.00 0.00 C ATOM 687 NZ LYS A 48 15.667 5.863 -1.356 1.00 0.00 N ATOM 0 H LYS A 48 8.810 4.926 -3.074 1.00 0.00 H new ATOM 0 HA LYS A 48 11.201 3.588 -2.080 1.00 0.00 H new ATOM 0 HB2 LYS A 48 10.825 6.135 -2.434 1.00 0.00 H new ATOM 0 HB3 LYS A 48 9.842 6.068 -0.985 1.00 0.00 H new ATOM 0 HG2 LYS A 48 11.899 6.662 -0.101 1.00 0.00 H new ATOM 0 HG3 LYS A 48 11.943 4.921 0.096 1.00 0.00 H new ATOM 0 HD2 LYS A 48 13.422 4.615 -1.717 1.00 0.00 H new ATOM 0 HD3 LYS A 48 13.013 6.156 -2.445 1.00 0.00 H new ATOM 0 HE2 LYS A 48 14.283 7.387 -0.859 1.00 0.00 H new ATOM 0 HE3 LYS A 48 14.332 6.054 0.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 16.445 6.327 -0.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 15.757 4.831 -1.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 15.709 6.123 -2.362 1.00 0.00 H new ATOM 701 N ALA A 49 8.531 4.035 -0.166 1.00 0.00 N ATOM 702 CA ALA A 49 7.821 3.501 0.990 1.00 0.00 C ATOM 703 C ALA A 49 7.719 1.981 0.918 1.00 0.00 C ATOM 704 O ALA A 49 8.202 1.274 1.803 1.00 0.00 O ATOM 705 CB ALA A 49 6.435 4.120 1.090 1.00 0.00 C ATOM 0 H ALA A 49 8.088 4.847 -0.595 1.00 0.00 H new ATOM 0 HA ALA A 49 8.388 3.759 1.884 1.00 0.00 H new ATOM 0 HB1 ALA A 49 5.916 3.712 1.958 1.00 0.00 H new ATOM 0 HB2 ALA A 49 6.526 5.201 1.197 1.00 0.00 H new ATOM 0 HB3 ALA A 49 5.868 3.891 0.188 1.00 0.00 H new ATOM 711 N LEU A 50 7.088 1.484 -0.140 1.00 0.00 N ATOM 712 CA LEU A 50 6.922 0.047 -0.327 1.00 0.00 C ATOM 713 C LEU A 50 8.162 -0.565 -0.972 1.00 0.00 C ATOM 714 O LEU A 50 8.924 0.122 -1.650 1.00 0.00 O ATOM 715 CB LEU A 50 5.692 -0.236 -1.191 1.00 0.00 C ATOM 716 CG LEU A 50 4.336 -0.020 -0.519 1.00 0.00 C ATOM 717 CD1 LEU A 50 3.209 -0.170 -1.530 1.00 0.00 C ATOM 718 CD2 LEU A 50 4.152 -0.995 0.635 1.00 0.00 C ATOM 0 H LEU A 50 6.683 2.055 -0.882 1.00 0.00 H new ATOM 0 HA LEU A 50 6.782 -0.408 0.653 1.00 0.00 H new ATOM 0 HB2 LEU A 50 5.741 0.398 -2.077 1.00 0.00 H new ATOM 0 HB3 LEU A 50 5.744 -1.269 -1.535 1.00 0.00 H new ATOM 0 HG LEU A 50 4.307 0.994 -0.121 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.251 -0.013 -1.033 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.332 0.567 -2.324 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.235 -1.172 -1.958 1.00 0.00 H new ATOM 0 HD21 LEU A 50 3.181 -0.827 1.102 1.00 0.00 H new ATOM 0 HD22 LEU A 50 4.202 -2.017 0.259 1.00 0.00 H new ATOM 0 HD23 LEU A 50 4.941 -0.840 1.371 1.00 0.00 H new ATOM 730 N GLY A 51 8.356 -1.862 -0.756 1.00 0.00 N ATOM 731 CA GLY A 51 9.503 -2.545 -1.324 1.00 0.00 C ATOM 732 C GLY A 51 9.105 -3.694 -2.229 1.00 0.00 C ATOM 733 O GLY A 51 8.019 -4.262 -2.105 1.00 0.00 O ATOM 0 H GLY A 51 7.739 -2.452 -0.198 1.00 0.00 H new ATOM 0 HA2 GLY A 51 10.103 -1.832 -1.890 1.00 0.00 H new ATOM 0 HA3 GLY A 51 10.133 -2.923 -0.518 1.00 0.00 H new ATOM 737 N PRO A 52 9.996 -4.052 -3.165 1.00 0.00 N ATOM 738 CA PRO A 52 9.753 -5.142 -4.114 1.00 0.00 C ATOM 739 C PRO A 52 9.766 -6.510 -3.440 1.00 0.00 C ATOM 740 O PRO A 52 8.989 -7.395 -3.797 1.00 0.00 O ATOM 741 CB PRO A 52 10.917 -5.021 -5.100 1.00 0.00 C ATOM 742 CG PRO A 52 12.000 -4.351 -4.327 1.00 0.00 C ATOM 743 CD PRO A 52 11.310 -3.418 -3.370 1.00 0.00 C ATOM 0 HA PRO A 52 8.771 -5.064 -4.581 1.00 0.00 H new ATOM 0 HB2 PRO A 52 11.235 -6.000 -5.460 1.00 0.00 H new ATOM 0 HB3 PRO A 52 10.635 -4.436 -5.975 1.00 0.00 H new ATOM 0 HG2 PRO A 52 12.606 -5.081 -3.791 1.00 0.00 H new ATOM 0 HG3 PRO A 52 12.671 -3.804 -4.989 1.00 0.00 H new ATOM 0 HD2 PRO A 52 11.861 -3.322 -2.434 1.00 0.00 H new ATOM 0 HD3 PRO A 52 11.212 -2.415 -3.786 1.00 0.00 H new ATOM 751 N MET A 53 10.653 -6.676 -2.464 1.00 0.00 N ATOM 752 CA MET A 53 10.765 -7.936 -1.740 1.00 0.00 C ATOM 753 C MET A 53 9.669 -8.056 -0.685 1.00 0.00 C ATOM 754 O MET A 53 9.238 -9.158 -0.346 1.00 0.00 O ATOM 755 CB MET A 53 12.140 -8.049 -1.079 1.00 0.00 C ATOM 756 CG MET A 53 13.280 -8.208 -2.072 1.00 0.00 C ATOM 757 SD MET A 53 14.771 -8.884 -1.315 1.00 0.00 S ATOM 758 CE MET A 53 14.646 -10.604 -1.799 1.00 0.00 C ATOM 0 H MET A 53 11.304 -5.954 -2.157 1.00 0.00 H new ATOM 0 HA MET A 53 10.646 -8.749 -2.456 1.00 0.00 H new ATOM 0 HB2 MET A 53 12.317 -7.160 -0.474 1.00 0.00 H new ATOM 0 HB3 MET A 53 12.139 -8.902 -0.400 1.00 0.00 H new ATOM 0 HG2 MET A 53 12.961 -8.862 -2.884 1.00 0.00 H new ATOM 0 HG3 MET A 53 13.509 -7.239 -2.514 1.00 0.00 H new ATOM 0 HE1 MET A 53 15.499 -11.156 -1.405 1.00 0.00 H new ATOM 0 HE2 MET A 53 13.724 -11.028 -1.401 1.00 0.00 H new ATOM 0 HE3 MET A 53 14.638 -10.676 -2.887 1.00 0.00 H new ATOM 768 N VAL A 54 9.224 -6.915 -0.168 1.00 0.00 N ATOM 769 CA VAL A 54 8.179 -6.892 0.848 1.00 0.00 C ATOM 770 C VAL A 54 6.920 -7.598 0.357 1.00 0.00 C ATOM 771 O VAL A 54 6.433 -7.330 -0.741 1.00 0.00 O ATOM 772 CB VAL A 54 7.821 -5.450 1.253 1.00 0.00 C ATOM 773 CG1 VAL A 54 6.806 -5.449 2.386 1.00 0.00 C ATOM 774 CG2 VAL A 54 9.073 -4.681 1.648 1.00 0.00 C ATOM 0 H VAL A 54 9.571 -5.994 -0.436 1.00 0.00 H new ATOM 0 HA VAL A 54 8.572 -7.418 1.718 1.00 0.00 H new ATOM 0 HB VAL A 54 7.371 -4.952 0.394 1.00 0.00 H new ATOM 0 HG11 VAL A 54 6.566 -4.421 2.658 1.00 0.00 H new ATOM 0 HG12 VAL A 54 5.899 -5.960 2.063 1.00 0.00 H new ATOM 0 HG13 VAL A 54 7.225 -5.965 3.250 1.00 0.00 H new ATOM 0 HG21 VAL A 54 8.801 -3.664 1.931 1.00 0.00 H new ATOM 0 HG22 VAL A 54 9.553 -5.177 2.492 1.00 0.00 H new ATOM 0 HG23 VAL A 54 9.763 -4.651 0.804 1.00 0.00 H new ATOM 784 N VAL A 55 6.396 -8.502 1.179 1.00 0.00 N ATOM 785 CA VAL A 55 5.192 -9.246 0.829 1.00 0.00 C ATOM 786 C VAL A 55 4.192 -9.246 1.981 1.00 0.00 C ATOM 787 O VAL A 55 4.576 -9.216 3.149 1.00 0.00 O ATOM 788 CB VAL A 55 5.522 -10.702 0.450 1.00 0.00 C ATOM 789 CG1 VAL A 55 4.301 -11.389 -0.141 1.00 0.00 C ATOM 790 CG2 VAL A 55 6.692 -10.747 -0.521 1.00 0.00 C ATOM 0 H VAL A 55 6.786 -8.737 2.092 1.00 0.00 H new ATOM 0 HA VAL A 55 4.750 -8.746 -0.033 1.00 0.00 H new ATOM 0 HB VAL A 55 5.809 -11.239 1.354 1.00 0.00 H new ATOM 0 HG11 VAL A 55 4.553 -12.417 -0.403 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.493 -11.389 0.591 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.980 -10.855 -1.035 1.00 0.00 H new ATOM 0 HG21 VAL A 55 6.912 -11.783 -0.778 1.00 0.00 H new ATOM 0 HG22 VAL A 55 6.436 -10.195 -1.425 1.00 0.00 H new ATOM 0 HG23 VAL A 55 7.568 -10.295 -0.056 1.00 0.00 H new ATOM 800 N GLY A 56 2.907 -9.281 1.642 1.00 0.00 N ATOM 801 CA GLY A 56 1.872 -9.286 2.659 1.00 0.00 C ATOM 802 C GLY A 56 0.660 -10.099 2.249 1.00 0.00 C ATOM 803 O GLY A 56 0.447 -10.354 1.064 1.00 0.00 O ATOM 0 H GLY A 56 2.564 -9.306 0.682 1.00 0.00 H new ATOM 0 HA2 GLY A 56 2.280 -9.690 3.586 1.00 0.00 H new ATOM 0 HA3 GLY A 56 1.565 -8.261 2.866 1.00 0.00 H new ATOM 807 N ARG A 57 -0.135 -10.509 3.232 1.00 0.00 N ATOM 808 CA ARG A 57 -1.330 -11.302 2.968 1.00 0.00 C ATOM 809 C ARG A 57 -2.592 -10.476 3.198 1.00 0.00 C ATOM 810 O ARG A 57 -2.775 -9.886 4.264 1.00 0.00 O ATOM 811 CB ARG A 57 -1.351 -12.544 3.860 1.00 0.00 C ATOM 812 CG ARG A 57 -0.720 -13.768 3.215 1.00 0.00 C ATOM 813 CD ARG A 57 -0.886 -15.004 4.085 1.00 0.00 C ATOM 814 NE ARG A 57 0.099 -16.034 3.765 1.00 0.00 N ATOM 815 CZ ARG A 57 0.470 -16.985 4.615 1.00 0.00 C ATOM 816 NH1 ARG A 57 -0.060 -17.037 5.829 1.00 0.00 N ATOM 817 NH2 ARG A 57 1.372 -17.888 4.250 1.00 0.00 N ATOM 0 H ARG A 57 0.027 -10.305 4.218 1.00 0.00 H new ATOM 0 HA ARG A 57 -1.306 -11.614 1.924 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -0.826 -12.322 4.789 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -2.383 -12.774 4.124 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -1.177 -13.943 2.241 1.00 0.00 H new ATOM 0 HG3 ARG A 57 0.340 -13.583 3.042 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -0.791 -14.724 5.134 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -1.890 -15.408 3.953 1.00 0.00 H new ATOM 0 HE ARG A 57 0.525 -16.022 2.838 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -0.754 -16.346 6.112 1.00 0.00 H new ATOM 0 HH12 ARG A 57 0.227 -17.768 6.480 1.00 0.00 H new ATOM 0 HH21 ARG A 57 1.781 -17.852 3.316 1.00 0.00 H new ATOM 0 HH22 ARG A 57 1.656 -18.618 4.903 1.00 0.00 H new ATOM 831 N LEU A 58 -3.459 -10.437 2.192 1.00 0.00 N ATOM 832 CA LEU A 58 -4.704 -9.683 2.284 1.00 0.00 C ATOM 833 C LEU A 58 -5.447 -10.013 3.575 1.00 0.00 C ATOM 834 O LEU A 58 -5.115 -10.977 4.266 1.00 0.00 O ATOM 835 CB LEU A 58 -5.596 -9.983 1.078 1.00 0.00 C ATOM 836 CG LEU A 58 -5.243 -9.249 -0.216 1.00 0.00 C ATOM 837 CD1 LEU A 58 -5.623 -10.088 -1.426 1.00 0.00 C ATOM 838 CD2 LEU A 58 -5.935 -7.894 -0.266 1.00 0.00 C ATOM 0 H LEU A 58 -3.323 -10.919 1.303 1.00 0.00 H new ATOM 0 HA LEU A 58 -4.457 -8.621 2.290 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -5.563 -11.055 0.885 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -6.625 -9.738 1.342 1.00 0.00 H new ATOM 0 HG LEU A 58 -4.165 -9.086 -0.236 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -5.364 -9.550 -2.338 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -5.082 -11.034 -1.397 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -6.695 -10.283 -1.411 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -5.673 -7.385 -1.194 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -7.015 -8.035 -0.223 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -5.614 -7.290 0.582 1.00 0.00 H new ATOM 850 N THR A 59 -6.457 -9.209 3.893 1.00 0.00 N ATOM 851 CA THR A 59 -7.248 -9.416 5.100 1.00 0.00 C ATOM 852 C THR A 59 -8.608 -10.020 4.768 1.00 0.00 C ATOM 853 O THR A 59 -9.383 -10.358 5.663 1.00 0.00 O ATOM 854 CB THR A 59 -7.458 -8.097 5.867 1.00 0.00 C ATOM 855 OG1 THR A 59 -8.099 -7.135 5.022 1.00 0.00 O ATOM 856 CG2 THR A 59 -6.131 -7.541 6.361 1.00 0.00 C ATOM 0 H THR A 59 -6.746 -8.408 3.331 1.00 0.00 H new ATOM 0 HA THR A 59 -6.689 -10.108 5.730 1.00 0.00 H new ATOM 0 HB THR A 59 -8.092 -8.301 6.730 1.00 0.00 H new ATOM 0 HG1 THR A 59 -8.230 -6.300 5.518 1.00 0.00 H new ATOM 0 HG21 THR A 59 -6.305 -6.609 6.900 1.00 0.00 H new ATOM 0 HG22 THR A 59 -5.660 -8.263 7.028 1.00 0.00 H new ATOM 0 HG23 THR A 59 -5.477 -7.352 5.510 1.00 0.00 H new ATOM 864 N LYS A 60 -8.891 -10.155 3.477 1.00 0.00 N ATOM 865 CA LYS A 60 -10.157 -10.720 3.027 1.00 0.00 C ATOM 866 C LYS A 60 -10.013 -12.209 2.729 1.00 0.00 C ATOM 867 O LYS A 60 -10.556 -13.051 3.444 1.00 0.00 O ATOM 868 CB LYS A 60 -10.652 -9.985 1.779 1.00 0.00 C ATOM 869 CG LYS A 60 -12.164 -9.993 1.628 1.00 0.00 C ATOM 870 CD LYS A 60 -12.660 -8.742 0.921 1.00 0.00 C ATOM 871 CE LYS A 60 -14.017 -8.969 0.274 1.00 0.00 C ATOM 872 NZ LYS A 60 -15.086 -9.181 1.288 1.00 0.00 N ATOM 0 H LYS A 60 -8.260 -9.881 2.724 1.00 0.00 H new ATOM 0 HA LYS A 60 -10.886 -10.596 3.828 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -10.304 -8.953 1.814 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -10.205 -10.443 0.897 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -12.470 -10.875 1.066 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -12.629 -10.065 2.611 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -12.729 -7.922 1.636 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -11.939 -8.442 0.161 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -14.271 -8.110 -0.348 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -13.965 -9.835 -0.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -15.996 -9.332 0.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -14.857 -10.015 1.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -15.154 -8.344 1.901 1.00 0.00 H new ATOM 886 N CYS A 61 -9.276 -12.527 1.670 1.00 0.00 N ATOM 887 CA CYS A 61 -9.058 -13.914 1.278 1.00 0.00 C ATOM 888 C CYS A 61 -7.758 -14.449 1.869 1.00 0.00 C ATOM 889 O CYS A 61 -7.459 -15.639 1.765 1.00 0.00 O ATOM 890 CB CYS A 61 -9.026 -14.036 -0.247 1.00 0.00 C ATOM 891 SG CYS A 61 -7.780 -12.978 -1.051 1.00 0.00 S ATOM 0 H CYS A 61 -8.819 -11.842 1.068 1.00 0.00 H new ATOM 0 HA CYS A 61 -9.885 -14.509 1.666 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -8.832 -15.075 -0.514 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -10.010 -13.784 -0.642 1.00 0.00 H new ATOM 0 HG CYS A 61 -8.242 -12.551 -2.188 1.00 0.00 H new ATOM 896 N SER A 62 -6.988 -13.562 2.491 1.00 0.00 N ATOM 897 CA SER A 62 -5.717 -13.944 3.096 1.00 0.00 C ATOM 898 C SER A 62 -4.777 -14.543 2.055 1.00 0.00 C ATOM 899 O SER A 62 -4.205 -15.614 2.260 1.00 0.00 O ATOM 900 CB SER A 62 -5.948 -14.947 4.228 1.00 0.00 C ATOM 901 OG SER A 62 -6.886 -14.449 5.167 1.00 0.00 O ATOM 0 H SER A 62 -7.222 -12.574 2.589 1.00 0.00 H new ATOM 0 HA SER A 62 -5.253 -13.046 3.504 1.00 0.00 H new ATOM 0 HB2 SER A 62 -6.307 -15.890 3.815 1.00 0.00 H new ATOM 0 HB3 SER A 62 -5.004 -15.158 4.730 1.00 0.00 H new ATOM 0 HG SER A 62 -7.018 -15.109 5.879 1.00 0.00 H new ATOM 907 N HIS A 63 -4.622 -13.843 0.935 1.00 0.00 N ATOM 908 CA HIS A 63 -3.751 -14.305 -0.140 1.00 0.00 C ATOM 909 C HIS A 63 -2.483 -13.459 -0.213 1.00 0.00 C ATOM 910 O HIS A 63 -2.544 -12.248 -0.422 1.00 0.00 O ATOM 911 CB HIS A 63 -4.488 -14.256 -1.479 1.00 0.00 C ATOM 912 CG HIS A 63 -5.527 -15.324 -1.630 1.00 0.00 C ATOM 913 ND1 HIS A 63 -6.238 -15.523 -2.795 1.00 0.00 N ATOM 914 CD2 HIS A 63 -5.972 -16.256 -0.755 1.00 0.00 C ATOM 915 CE1 HIS A 63 -7.077 -16.530 -2.629 1.00 0.00 C ATOM 916 NE2 HIS A 63 -6.935 -16.993 -1.400 1.00 0.00 N ATOM 0 H HIS A 63 -5.088 -12.955 0.749 1.00 0.00 H new ATOM 0 HA HIS A 63 -3.468 -15.336 0.073 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -4.963 -13.281 -1.588 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -3.763 -14.349 -2.287 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -5.633 -16.394 0.261 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -7.763 -16.910 -3.372 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -7.456 -17.771 -0.996 1.00 0.00 H new ATOM 924 N ALA A 64 -1.335 -14.106 -0.039 1.00 0.00 N ATOM 925 CA ALA A 64 -0.053 -13.414 -0.087 1.00 0.00 C ATOM 926 C ALA A 64 0.195 -12.812 -1.465 1.00 0.00 C ATOM 927 O ALA A 64 -0.113 -13.427 -2.487 1.00 0.00 O ATOM 928 CB ALA A 64 1.074 -14.365 0.287 1.00 0.00 C ATOM 0 H ALA A 64 -1.267 -15.108 0.136 1.00 0.00 H new ATOM 0 HA ALA A 64 -0.081 -12.599 0.636 1.00 0.00 H new ATOM 0 HB1 ALA A 64 2.026 -13.835 0.247 1.00 0.00 H new ATOM 0 HB2 ALA A 64 0.911 -14.743 1.296 1.00 0.00 H new ATOM 0 HB3 ALA A 64 1.094 -15.199 -0.414 1.00 0.00 H new ATOM 934 N PHE A 65 0.752 -11.606 -1.487 1.00 0.00 N ATOM 935 CA PHE A 65 1.040 -10.919 -2.741 1.00 0.00 C ATOM 936 C PHE A 65 2.053 -9.799 -2.528 1.00 0.00 C ATOM 937 O PHE A 65 2.022 -9.103 -1.512 1.00 0.00 O ATOM 938 CB PHE A 65 -0.247 -10.351 -3.343 1.00 0.00 C ATOM 939 CG PHE A 65 -0.958 -11.310 -4.254 1.00 0.00 C ATOM 940 CD1 PHE A 65 -0.523 -11.504 -5.555 1.00 0.00 C ATOM 941 CD2 PHE A 65 -2.063 -12.019 -3.809 1.00 0.00 C ATOM 942 CE1 PHE A 65 -1.174 -12.386 -6.395 1.00 0.00 C ATOM 943 CE2 PHE A 65 -2.718 -12.903 -4.644 1.00 0.00 C ATOM 944 CZ PHE A 65 -2.274 -13.086 -5.940 1.00 0.00 C ATOM 0 H PHE A 65 1.013 -11.084 -0.651 1.00 0.00 H new ATOM 0 HA PHE A 65 1.468 -11.644 -3.433 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -0.920 -10.063 -2.535 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -0.009 -9.444 -3.898 1.00 0.00 H new ATOM 0 HD1 PHE A 65 0.336 -10.959 -5.917 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -2.416 -11.879 -2.798 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -0.823 -12.528 -7.407 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -3.576 -13.451 -4.284 1.00 0.00 H new ATOM 0 HZ PHE A 65 -2.786 -13.775 -6.595 1.00 0.00 H new ATOM 954 N HIS A 66 2.952 -9.630 -3.493 1.00 0.00 N ATOM 955 CA HIS A 66 3.976 -8.594 -3.411 1.00 0.00 C ATOM 956 C HIS A 66 3.344 -7.223 -3.191 1.00 0.00 C ATOM 957 O HIS A 66 2.787 -6.629 -4.115 1.00 0.00 O ATOM 958 CB HIS A 66 4.821 -8.581 -4.685 1.00 0.00 C ATOM 959 CG HIS A 66 5.748 -9.751 -4.801 1.00 0.00 C ATOM 960 ND1 HIS A 66 5.442 -10.887 -5.521 1.00 0.00 N ATOM 961 CD2 HIS A 66 6.982 -9.957 -4.284 1.00 0.00 C ATOM 962 CE1 HIS A 66 6.446 -11.741 -5.441 1.00 0.00 C ATOM 963 NE2 HIS A 66 7.394 -11.201 -4.696 1.00 0.00 N ATOM 0 H HIS A 66 2.992 -10.197 -4.340 1.00 0.00 H new ATOM 0 HA HIS A 66 4.619 -8.819 -2.560 1.00 0.00 H new ATOM 0 HB2 HIS A 66 4.158 -8.566 -5.550 1.00 0.00 H new ATOM 0 HB3 HIS A 66 5.405 -7.661 -4.714 1.00 0.00 H new ATOM 0 HD1 HIS A 66 4.575 -11.043 -6.035 1.00 0.00 H new ATOM 0 HD2 HIS A 66 7.539 -9.271 -3.663 1.00 0.00 H new ATOM 0 HE1 HIS A 66 6.485 -12.715 -5.906 1.00 0.00 H new ATOM 971 N LEU A 67 3.435 -6.725 -1.963 1.00 0.00 N ATOM 972 CA LEU A 67 2.872 -5.424 -1.621 1.00 0.00 C ATOM 973 C LEU A 67 3.103 -4.419 -2.745 1.00 0.00 C ATOM 974 O LEU A 67 2.305 -3.502 -2.945 1.00 0.00 O ATOM 975 CB LEU A 67 3.490 -4.904 -0.322 1.00 0.00 C ATOM 976 CG LEU A 67 3.189 -5.718 0.937 1.00 0.00 C ATOM 977 CD1 LEU A 67 3.704 -4.998 2.174 1.00 0.00 C ATOM 978 CD2 LEU A 67 1.695 -5.984 1.056 1.00 0.00 C ATOM 0 H LEU A 67 3.894 -7.203 -1.187 1.00 0.00 H new ATOM 0 HA LEU A 67 1.798 -5.546 -1.482 1.00 0.00 H new ATOM 0 HB2 LEU A 67 4.571 -4.858 -0.451 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.144 -3.883 -0.162 1.00 0.00 H new ATOM 0 HG LEU A 67 3.703 -6.676 0.859 1.00 0.00 H new ATOM 0 HD11 LEU A 67 3.481 -5.592 3.060 1.00 0.00 H new ATOM 0 HD12 LEU A 67 4.782 -4.860 2.092 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.219 -4.026 2.257 1.00 0.00 H new ATOM 0 HD21 LEU A 67 1.499 -6.564 1.958 1.00 0.00 H new ATOM 0 HD22 LEU A 67 1.160 -5.036 1.112 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.354 -6.542 0.184 1.00 0.00 H new ATOM 990 N LEU A 68 4.197 -4.598 -3.476 1.00 0.00 N ATOM 991 CA LEU A 68 4.532 -3.708 -4.583 1.00 0.00 C ATOM 992 C LEU A 68 3.677 -4.017 -5.808 1.00 0.00 C ATOM 993 O LEU A 68 3.048 -3.126 -6.379 1.00 0.00 O ATOM 994 CB LEU A 68 6.015 -3.837 -4.935 1.00 0.00 C ATOM 995 CG LEU A 68 6.567 -2.793 -5.907 1.00 0.00 C ATOM 996 CD1 LEU A 68 6.876 -1.495 -5.178 1.00 0.00 C ATOM 997 CD2 LEU A 68 7.809 -3.322 -6.609 1.00 0.00 C ATOM 0 H LEU A 68 4.868 -5.351 -3.323 1.00 0.00 H new ATOM 0 HA LEU A 68 4.327 -2.684 -4.270 1.00 0.00 H new ATOM 0 HB2 LEU A 68 6.593 -3.786 -4.012 1.00 0.00 H new ATOM 0 HB3 LEU A 68 6.182 -4.826 -5.362 1.00 0.00 H new ATOM 0 HG LEU A 68 5.807 -2.589 -6.661 1.00 0.00 H new ATOM 0 HD11 LEU A 68 7.268 -0.764 -5.886 1.00 0.00 H new ATOM 0 HD12 LEU A 68 5.964 -1.107 -4.723 1.00 0.00 H new ATOM 0 HD13 LEU A 68 7.618 -1.682 -4.401 1.00 0.00 H new ATOM 0 HD21 LEU A 68 8.188 -2.566 -7.297 1.00 0.00 H new ATOM 0 HD22 LEU A 68 8.574 -3.555 -5.868 1.00 0.00 H new ATOM 0 HD23 LEU A 68 7.556 -4.224 -7.166 1.00 0.00 H new ATOM 1009 N CYS A 69 3.658 -5.285 -6.205 1.00 0.00 N ATOM 1010 CA CYS A 69 2.880 -5.712 -7.361 1.00 0.00 C ATOM 1011 C CYS A 69 1.452 -5.179 -7.283 1.00 0.00 C ATOM 1012 O CYS A 69 0.937 -4.610 -8.247 1.00 0.00 O ATOM 1013 CB CYS A 69 2.861 -7.240 -7.452 1.00 0.00 C ATOM 1014 SG CYS A 69 4.414 -7.967 -8.066 1.00 0.00 S ATOM 0 H CYS A 69 4.173 -6.035 -5.743 1.00 0.00 H new ATOM 0 HA CYS A 69 3.352 -5.306 -8.256 1.00 0.00 H new ATOM 0 HB2 CYS A 69 2.646 -7.650 -6.465 1.00 0.00 H new ATOM 0 HB3 CYS A 69 2.045 -7.544 -8.108 1.00 0.00 H new ATOM 0 HG CYS A 69 4.678 -7.492 -9.247 1.00 0.00 H new ATOM 1019 N LEU A 70 0.819 -5.366 -6.131 1.00 0.00 N ATOM 1020 CA LEU A 70 -0.549 -4.903 -5.926 1.00 0.00 C ATOM 1021 C LEU A 70 -0.662 -3.404 -6.183 1.00 0.00 C ATOM 1022 O LEU A 70 -1.656 -2.930 -6.733 1.00 0.00 O ATOM 1023 CB LEU A 70 -1.010 -5.224 -4.503 1.00 0.00 C ATOM 1024 CG LEU A 70 -1.140 -6.708 -4.158 1.00 0.00 C ATOM 1025 CD1 LEU A 70 -1.337 -6.894 -2.662 1.00 0.00 C ATOM 1026 CD2 LEU A 70 -2.290 -7.337 -4.932 1.00 0.00 C ATOM 0 H LEU A 70 1.231 -5.835 -5.324 1.00 0.00 H new ATOM 0 HA LEU A 70 -1.192 -5.424 -6.636 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -0.308 -4.769 -3.804 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -1.977 -4.748 -4.340 1.00 0.00 H new ATOM 0 HG LEU A 70 -0.217 -7.210 -4.446 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -1.427 -7.957 -2.436 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -0.481 -6.481 -2.128 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -2.244 -6.378 -2.347 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -2.368 -8.393 -4.674 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -3.221 -6.831 -4.675 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -2.106 -7.237 -6.002 1.00 0.00 H new ATOM 1038 N LEU A 71 0.365 -2.662 -5.783 1.00 0.00 N ATOM 1039 CA LEU A 71 0.384 -1.216 -5.971 1.00 0.00 C ATOM 1040 C LEU A 71 0.621 -0.861 -7.436 1.00 0.00 C ATOM 1041 O LEU A 71 0.004 0.061 -7.969 1.00 0.00 O ATOM 1042 CB LEU A 71 1.468 -0.581 -5.099 1.00 0.00 C ATOM 1043 CG LEU A 71 1.647 0.930 -5.243 1.00 0.00 C ATOM 1044 CD1 LEU A 71 0.763 1.670 -4.251 1.00 0.00 C ATOM 1045 CD2 LEU A 71 3.106 1.315 -5.050 1.00 0.00 C ATOM 0 H LEU A 71 1.196 -3.038 -5.326 1.00 0.00 H new ATOM 0 HA LEU A 71 -0.588 -0.823 -5.673 1.00 0.00 H new ATOM 0 HB2 LEU A 71 1.242 -0.802 -4.056 1.00 0.00 H new ATOM 0 HB3 LEU A 71 2.419 -1.063 -5.328 1.00 0.00 H new ATOM 0 HG LEU A 71 1.346 1.217 -6.251 1.00 0.00 H new ATOM 0 HD11 LEU A 71 0.904 2.744 -4.369 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -0.281 1.419 -4.436 1.00 0.00 H new ATOM 0 HD13 LEU A 71 1.032 1.378 -3.236 1.00 0.00 H new ATOM 0 HD21 LEU A 71 3.215 2.394 -5.156 1.00 0.00 H new ATOM 0 HD22 LEU A 71 3.433 1.013 -4.055 1.00 0.00 H new ATOM 0 HD23 LEU A 71 3.717 0.813 -5.801 1.00 0.00 H new ATOM 1057 N ALA A 72 1.517 -1.600 -8.081 1.00 0.00 N ATOM 1058 CA ALA A 72 1.833 -1.366 -9.484 1.00 0.00 C ATOM 1059 C ALA A 72 0.605 -1.570 -10.365 1.00 0.00 C ATOM 1060 O ALA A 72 0.343 -0.782 -11.273 1.00 0.00 O ATOM 1061 CB ALA A 72 2.963 -2.282 -9.931 1.00 0.00 C ATOM 0 H ALA A 72 2.037 -2.366 -7.654 1.00 0.00 H new ATOM 0 HA ALA A 72 2.156 -0.330 -9.590 1.00 0.00 H new ATOM 0 HB1 ALA A 72 3.188 -2.096 -10.981 1.00 0.00 H new ATOM 0 HB2 ALA A 72 3.850 -2.086 -9.329 1.00 0.00 H new ATOM 0 HB3 ALA A 72 2.661 -3.321 -9.803 1.00 0.00 H new ATOM 1067 N MET A 73 -0.145 -2.632 -10.089 1.00 0.00 N ATOM 1068 CA MET A 73 -1.346 -2.939 -10.857 1.00 0.00 C ATOM 1069 C MET A 73 -2.423 -1.883 -10.626 1.00 0.00 C ATOM 1070 O MET A 73 -3.111 -1.469 -11.559 1.00 0.00 O ATOM 1071 CB MET A 73 -1.881 -4.321 -10.478 1.00 0.00 C ATOM 1072 CG MET A 73 -3.034 -4.788 -11.352 1.00 0.00 C ATOM 1073 SD MET A 73 -4.616 -4.086 -10.846 1.00 0.00 S ATOM 1074 CE MET A 73 -4.833 -4.860 -9.245 1.00 0.00 C ATOM 0 H MET A 73 0.058 -3.294 -9.340 1.00 0.00 H new ATOM 0 HA MET A 73 -1.081 -2.938 -11.914 1.00 0.00 H new ATOM 0 HB2 MET A 73 -1.070 -5.046 -10.543 1.00 0.00 H new ATOM 0 HB3 MET A 73 -2.208 -4.302 -9.439 1.00 0.00 H new ATOM 0 HG2 MET A 73 -2.834 -4.514 -12.388 1.00 0.00 H new ATOM 0 HG3 MET A 73 -3.095 -5.876 -11.316 1.00 0.00 H new ATOM 0 HE1 MET A 73 -5.896 -4.918 -9.010 1.00 0.00 H new ATOM 0 HE2 MET A 73 -4.410 -5.864 -9.266 1.00 0.00 H new ATOM 0 HE3 MET A 73 -4.325 -4.269 -8.483 1.00 0.00 H new ATOM 1084 N TYR A 74 -2.565 -1.453 -9.377 1.00 0.00 N ATOM 1085 CA TYR A 74 -3.560 -0.448 -9.023 1.00 0.00 C ATOM 1086 C TYR A 74 -3.233 0.894 -9.671 1.00 0.00 C ATOM 1087 O TYR A 74 -4.119 1.582 -10.181 1.00 0.00 O ATOM 1088 CB TYR A 74 -3.636 -0.289 -7.504 1.00 0.00 C ATOM 1089 CG TYR A 74 -4.365 0.960 -7.062 1.00 0.00 C ATOM 1090 CD1 TYR A 74 -3.749 2.204 -7.113 1.00 0.00 C ATOM 1091 CD2 TYR A 74 -5.672 0.896 -6.593 1.00 0.00 C ATOM 1092 CE1 TYR A 74 -4.411 3.347 -6.710 1.00 0.00 C ATOM 1093 CE2 TYR A 74 -6.343 2.034 -6.189 1.00 0.00 C ATOM 1094 CZ TYR A 74 -5.708 3.257 -6.249 1.00 0.00 C ATOM 1095 OH TYR A 74 -6.372 4.394 -5.847 1.00 0.00 O ATOM 0 H TYR A 74 -2.003 -1.785 -8.593 1.00 0.00 H new ATOM 0 HA TYR A 74 -4.528 -0.784 -9.395 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -4.135 -1.160 -7.080 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -2.625 -0.272 -7.098 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -2.734 2.279 -7.474 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -6.172 -0.060 -6.544 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -3.916 4.306 -6.756 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -7.359 1.966 -5.828 1.00 0.00 H new ATOM 0 HH TYR A 74 -7.276 4.158 -5.551 1.00 0.00 H new ATOM 1105 N CYS A 75 -1.956 1.260 -9.647 1.00 0.00 N ATOM 1106 CA CYS A 75 -1.511 2.520 -10.231 1.00 0.00 C ATOM 1107 C CYS A 75 -1.805 2.559 -11.727 1.00 0.00 C ATOM 1108 O CYS A 75 -2.067 3.621 -12.290 1.00 0.00 O ATOM 1109 CB CYS A 75 -0.014 2.717 -9.987 1.00 0.00 C ATOM 1110 SG CYS A 75 0.661 4.226 -10.723 1.00 0.00 S ATOM 0 H CYS A 75 -1.211 0.702 -9.230 1.00 0.00 H new ATOM 0 HA CYS A 75 -2.060 3.330 -9.751 1.00 0.00 H new ATOM 0 HB2 CYS A 75 0.169 2.736 -8.913 1.00 0.00 H new ATOM 0 HB3 CYS A 75 0.525 1.858 -10.387 1.00 0.00 H new ATOM 0 HG CYS A 75 -0.141 4.651 -11.653 1.00 0.00 H new ATOM 1185 N GLY A 81 -9.837 4.047 -5.328 1.00 0.00 N ATOM 1186 CA GLY A 81 -9.822 3.641 -3.934 1.00 0.00 C ATOM 1187 C GLY A 81 -10.358 2.238 -3.733 1.00 0.00 C ATOM 1188 O GLY A 81 -11.292 2.028 -2.959 1.00 0.00 O ATOM 0 HA2 GLY A 81 -8.802 3.695 -3.554 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -10.417 4.341 -3.348 1.00 0.00 H new ATOM 1192 N SER A 82 -9.766 1.274 -4.432 1.00 0.00 N ATOM 1193 CA SER A 82 -10.194 -0.116 -4.331 1.00 0.00 C ATOM 1194 C SER A 82 -9.121 -1.055 -4.873 1.00 0.00 C ATOM 1195 O SER A 82 -8.515 -0.790 -5.913 1.00 0.00 O ATOM 1196 CB SER A 82 -11.504 -0.326 -5.092 1.00 0.00 C ATOM 1197 OG SER A 82 -11.284 -0.336 -6.492 1.00 0.00 O ATOM 0 H SER A 82 -8.989 1.431 -5.074 1.00 0.00 H new ATOM 0 HA SER A 82 -10.355 -0.345 -3.278 1.00 0.00 H new ATOM 0 HB2 SER A 82 -11.959 -1.268 -4.785 1.00 0.00 H new ATOM 0 HB3 SER A 82 -12.208 0.466 -4.837 1.00 0.00 H new ATOM 0 HG SER A 82 -12.136 -0.473 -6.956 1.00 0.00 H new ATOM 1203 N LEU A 83 -8.891 -2.154 -4.163 1.00 0.00 N ATOM 1204 CA LEU A 83 -7.891 -3.134 -4.572 1.00 0.00 C ATOM 1205 C LEU A 83 -8.527 -4.504 -4.785 1.00 0.00 C ATOM 1206 O LEU A 83 -9.161 -5.051 -3.883 1.00 0.00 O ATOM 1207 CB LEU A 83 -6.783 -3.231 -3.521 1.00 0.00 C ATOM 1208 CG LEU A 83 -5.400 -3.625 -4.039 1.00 0.00 C ATOM 1209 CD1 LEU A 83 -5.367 -5.101 -4.404 1.00 0.00 C ATOM 1210 CD2 LEU A 83 -5.014 -2.769 -5.236 1.00 0.00 C ATOM 0 H LEU A 83 -9.383 -2.389 -3.301 1.00 0.00 H new ATOM 0 HA LEU A 83 -7.459 -2.803 -5.517 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -6.700 -2.267 -3.019 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -7.087 -3.957 -2.767 1.00 0.00 H new ATOM 0 HG LEU A 83 -4.674 -3.452 -3.245 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -4.375 -5.363 -4.771 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -5.598 -5.699 -3.522 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -6.105 -5.300 -5.181 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -4.027 -3.064 -5.591 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -5.743 -2.909 -6.034 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -4.995 -1.720 -4.942 1.00 0.00 H new ATOM 1222 N GLN A 84 -8.350 -5.053 -5.982 1.00 0.00 N ATOM 1223 CA GLN A 84 -8.905 -6.360 -6.312 1.00 0.00 C ATOM 1224 C GLN A 84 -7.811 -7.422 -6.353 1.00 0.00 C ATOM 1225 O GLN A 84 -6.653 -7.124 -6.646 1.00 0.00 O ATOM 1226 CB GLN A 84 -9.629 -6.305 -7.659 1.00 0.00 C ATOM 1227 CG GLN A 84 -10.258 -7.628 -8.066 1.00 0.00 C ATOM 1228 CD GLN A 84 -11.115 -7.508 -9.311 1.00 0.00 C ATOM 1229 OE1 GLN A 84 -11.339 -6.410 -9.821 1.00 0.00 O ATOM 1230 NE2 GLN A 84 -11.600 -8.640 -9.807 1.00 0.00 N ATOM 0 H GLN A 84 -7.827 -4.613 -6.739 1.00 0.00 H new ATOM 0 HA GLN A 84 -9.619 -6.630 -5.534 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -10.406 -5.542 -7.614 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -8.923 -5.996 -8.429 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -9.471 -8.362 -8.241 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -10.868 -8.004 -7.245 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -11.389 -9.528 -9.352 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -12.184 -8.622 -10.643 1.00 0.00 H new ATOM 1239 N CYS A 85 -8.186 -8.662 -6.057 1.00 0.00 N ATOM 1240 CA CYS A 85 -7.237 -9.769 -6.059 1.00 0.00 C ATOM 1241 C CYS A 85 -7.269 -10.510 -7.392 1.00 0.00 C ATOM 1242 O CYS A 85 -8.297 -11.042 -7.811 1.00 0.00 O ATOM 1243 CB CYS A 85 -7.550 -10.738 -4.916 1.00 0.00 C ATOM 1244 SG CYS A 85 -6.213 -11.922 -4.559 1.00 0.00 S ATOM 0 H CYS A 85 -9.141 -8.925 -5.813 1.00 0.00 H new ATOM 0 HA CYS A 85 -6.237 -9.359 -5.915 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -7.762 -10.163 -4.014 1.00 0.00 H new ATOM 0 HB3 CYS A 85 -8.456 -11.292 -5.161 1.00 0.00 H new ATOM 0 HG CYS A 85 -6.438 -12.499 -3.416 1.00 0.00 H new ATOM 1249 N PRO A 86 -6.116 -10.547 -8.076 1.00 0.00 N ATOM 1250 CA PRO A 86 -5.984 -11.221 -9.371 1.00 0.00 C ATOM 1251 C PRO A 86 -6.073 -12.738 -9.247 1.00 0.00 C ATOM 1252 O PRO A 86 -5.942 -13.460 -10.235 1.00 0.00 O ATOM 1253 CB PRO A 86 -4.591 -10.804 -9.848 1.00 0.00 C ATOM 1254 CG PRO A 86 -3.840 -10.494 -8.600 1.00 0.00 C ATOM 1255 CD PRO A 86 -4.850 -9.935 -7.637 1.00 0.00 C ATOM 0 HA PRO A 86 -6.785 -10.945 -10.057 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -4.110 -11.604 -10.411 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -4.641 -9.936 -10.506 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -3.369 -11.390 -8.195 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -3.044 -9.775 -8.792 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -4.612 -10.199 -6.607 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -4.892 -8.847 -7.685 1.00 0.00 H new ATOM 1263 N SER A 87 -6.297 -13.216 -8.027 1.00 0.00 N ATOM 1264 CA SER A 87 -6.400 -14.648 -7.773 1.00 0.00 C ATOM 1265 C SER A 87 -7.857 -15.066 -7.601 1.00 0.00 C ATOM 1266 O SER A 87 -8.387 -15.853 -8.387 1.00 0.00 O ATOM 1267 CB SER A 87 -5.599 -15.025 -6.526 1.00 0.00 C ATOM 1268 OG SER A 87 -5.409 -16.428 -6.447 1.00 0.00 O ATOM 0 H SER A 87 -6.411 -12.632 -7.199 1.00 0.00 H new ATOM 0 HA SER A 87 -5.988 -15.175 -8.634 1.00 0.00 H new ATOM 0 HB2 SER A 87 -4.631 -14.524 -6.546 1.00 0.00 H new ATOM 0 HB3 SER A 87 -6.120 -14.675 -5.635 1.00 0.00 H new ATOM 0 HG SER A 87 -4.893 -16.643 -5.642 1.00 0.00 H new ATOM 1274 N CYS A 88 -8.501 -14.533 -6.568 1.00 0.00 N ATOM 1275 CA CYS A 88 -9.897 -14.849 -6.291 1.00 0.00 C ATOM 1276 C CYS A 88 -10.823 -13.789 -6.880 1.00 0.00 C ATOM 1277 O CYS A 88 -12.024 -13.777 -6.609 1.00 0.00 O ATOM 1278 CB CYS A 88 -10.126 -14.961 -4.782 1.00 0.00 C ATOM 1279 SG CYS A 88 -9.547 -13.517 -3.833 1.00 0.00 S ATOM 0 H CYS A 88 -8.078 -13.880 -5.909 1.00 0.00 H new ATOM 0 HA CYS A 88 -10.127 -15.806 -6.759 1.00 0.00 H new ATOM 0 HB2 CYS A 88 -11.191 -15.101 -4.596 1.00 0.00 H new ATOM 0 HB3 CYS A 88 -9.618 -15.852 -4.413 1.00 0.00 H new ATOM 0 HG CYS A 88 -9.007 -13.917 -2.720 1.00 0.00 H new ATOM 1284 N LYS A 89 -10.255 -12.899 -7.687 1.00 0.00 N ATOM 1285 CA LYS A 89 -11.028 -11.834 -8.317 1.00 0.00 C ATOM 1286 C LYS A 89 -11.968 -11.177 -7.311 1.00 0.00 C ATOM 1287 O LYS A 89 -13.134 -10.920 -7.612 1.00 0.00 O ATOM 1288 CB LYS A 89 -11.831 -12.388 -9.496 1.00 0.00 C ATOM 1289 CG LYS A 89 -11.011 -12.561 -10.762 1.00 0.00 C ATOM 1290 CD LYS A 89 -9.977 -13.664 -10.612 1.00 0.00 C ATOM 1291 CE LYS A 89 -9.249 -13.928 -11.920 1.00 0.00 C ATOM 1292 NZ LYS A 89 -8.274 -12.848 -12.241 1.00 0.00 N ATOM 0 H LYS A 89 -9.262 -12.894 -7.920 1.00 0.00 H new ATOM 0 HA LYS A 89 -10.331 -11.080 -8.683 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -12.257 -13.351 -9.214 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -12.666 -11.719 -9.703 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -11.673 -12.793 -11.596 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -10.511 -11.623 -11.003 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -9.256 -13.386 -9.843 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -10.465 -14.578 -10.275 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -8.726 -14.882 -11.858 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -9.975 -14.014 -12.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -7.937 -12.964 -13.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -8.737 -11.922 -12.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -7.467 -12.903 -11.587 1.00 0.00 H new ATOM 1306 N THR A 90 -11.453 -10.904 -6.116 1.00 0.00 N ATOM 1307 CA THR A 90 -12.246 -10.276 -5.067 1.00 0.00 C ATOM 1308 C THR A 90 -11.890 -8.801 -4.918 1.00 0.00 C ATOM 1309 O THR A 90 -10.755 -8.457 -4.589 1.00 0.00 O ATOM 1310 CB THR A 90 -12.044 -10.980 -3.713 1.00 0.00 C ATOM 1311 OG1 THR A 90 -12.659 -12.273 -3.736 1.00 0.00 O ATOM 1312 CG2 THR A 90 -12.633 -10.154 -2.580 1.00 0.00 C ATOM 0 H THR A 90 -10.489 -11.108 -5.851 1.00 0.00 H new ATOM 0 HA THR A 90 -13.291 -10.367 -5.363 1.00 0.00 H new ATOM 0 HB THR A 90 -10.973 -11.090 -3.543 1.00 0.00 H new ATOM 0 HG1 THR A 90 -11.965 -12.965 -3.771 1.00 0.00 H new ATOM 0 HG21 THR A 90 -12.478 -10.672 -1.633 1.00 0.00 H new ATOM 0 HG22 THR A 90 -12.143 -9.181 -2.546 1.00 0.00 H new ATOM 0 HG23 THR A 90 -13.701 -10.016 -2.747 1.00 0.00 H new ATOM 1320 N ILE A 91 -12.868 -7.934 -5.161 1.00 0.00 N ATOM 1321 CA ILE A 91 -12.658 -6.496 -5.052 1.00 0.00 C ATOM 1322 C ILE A 91 -12.850 -6.020 -3.616 1.00 0.00 C ATOM 1323 O ILE A 91 -13.800 -6.418 -2.941 1.00 0.00 O ATOM 1324 CB ILE A 91 -13.615 -5.716 -5.972 1.00 0.00 C ATOM 1325 CG1 ILE A 91 -13.516 -6.237 -7.407 1.00 0.00 C ATOM 1326 CG2 ILE A 91 -13.303 -4.228 -5.921 1.00 0.00 C ATOM 1327 CD1 ILE A 91 -14.614 -7.211 -7.773 1.00 0.00 C ATOM 0 H ILE A 91 -13.813 -8.203 -5.435 1.00 0.00 H new ATOM 0 HA ILE A 91 -11.631 -6.303 -5.362 1.00 0.00 H new ATOM 0 HB ILE A 91 -14.636 -5.866 -5.620 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -13.547 -5.392 -8.095 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -12.550 -6.723 -7.543 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -13.988 -3.690 -6.576 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -13.419 -3.867 -4.899 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -12.278 -4.060 -6.251 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -14.481 -7.539 -8.804 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -14.571 -8.074 -7.109 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -15.583 -6.723 -7.670 1.00 0.00 H new ATOM 1339 N TYR A 92 -11.945 -5.164 -3.156 1.00 0.00 N ATOM 1340 CA TYR A 92 -12.014 -4.634 -1.800 1.00 0.00 C ATOM 1341 C TYR A 92 -12.661 -3.252 -1.788 1.00 0.00 C ATOM 1342 O TYR A 92 -12.392 -2.421 -2.654 1.00 0.00 O ATOM 1343 CB TYR A 92 -10.615 -4.559 -1.186 1.00 0.00 C ATOM 1344 CG TYR A 92 -10.013 -5.913 -0.886 1.00 0.00 C ATOM 1345 CD1 TYR A 92 -9.946 -6.898 -1.864 1.00 0.00 C ATOM 1346 CD2 TYR A 92 -9.512 -6.208 0.376 1.00 0.00 C ATOM 1347 CE1 TYR A 92 -9.397 -8.137 -1.593 1.00 0.00 C ATOM 1348 CE2 TYR A 92 -8.961 -7.444 0.655 1.00 0.00 C ATOM 1349 CZ TYR A 92 -8.906 -8.405 -0.333 1.00 0.00 C ATOM 1350 OH TYR A 92 -8.358 -9.637 -0.058 1.00 0.00 O ATOM 0 H TYR A 92 -11.155 -4.822 -3.703 1.00 0.00 H new ATOM 0 HA TYR A 92 -12.629 -5.309 -1.205 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -9.956 -4.021 -1.868 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -10.662 -3.979 -0.264 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -10.329 -6.692 -2.852 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -9.554 -5.458 1.152 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -9.353 -8.892 -2.364 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -8.576 -7.657 1.641 1.00 0.00 H new ATOM 0 HH TYR A 92 -8.767 -10.314 -0.637 1.00 0.00 H new