USER MOD reduce.3.24.130724 H: found=0, std=0, add=598, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 598 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 17 THR OG1 : rot 141:sc= -0.316 USER MOD Set 1.2: A 20 SER OG : rot 120:sc= 0.86 USER MOD Single : A 12 CYS SG : rot 150:sc= -5.7! USER MOD Single : A 13 HIS : no HD1:sc= -0.739 K(o=-0.74,f=0.17) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 HIS : no HD1:sc= -0.43 X(o=-0.43,f=-0.03) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot -1:sc= 1.06 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= -0.696 USER MOD Single : A 33 GLN : amide:sc= -0.41 X(o=-0.41,f=-0.024) USER MOD Single : A 37 LYS NZ :NH3+ 132:sc= 0.652 (180deg=-0.0355) USER MOD Single : A 42 LYS NZ :NH3+ -117:sc= -0.327 (180deg=-5.23!) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.162 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 HIS : no HD1:sc= -0.113 X(o=-0.11,f=-0.26) USER MOD Single : A 65 GLN : amide:sc= -0.0284 X(o=-0.028,f=0) USER MOD Single : A 67 ASN : amide:sc= -0.689 X(o=-0.69,f=-0.68) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 TYR OH : rot 30:sc= -0.651 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD ----------------------------------------------------------------- ATOM 96 N ILE A 10 -5.198 -15.497 -2.424 1.00 0.00 N ATOM 97 CA ILE A 10 -4.025 -14.646 -2.538 1.00 0.00 C ATOM 98 C ILE A 10 -4.166 -13.458 -1.584 1.00 0.00 C ATOM 99 O ILE A 10 -5.280 -13.049 -1.258 1.00 0.00 O ATOM 100 CB ILE A 10 -3.797 -14.240 -3.996 1.00 0.00 C ATOM 101 CG1 ILE A 10 -2.340 -13.840 -4.232 1.00 0.00 C ATOM 102 CG2 ILE A 10 -4.771 -13.137 -4.416 1.00 0.00 C ATOM 103 CD1 ILE A 10 -1.810 -14.442 -5.535 1.00 0.00 C ATOM 0 HA ILE A 10 -3.130 -15.191 -2.239 1.00 0.00 H new ATOM 0 HB ILE A 10 -3.999 -15.105 -4.628 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -2.259 -12.754 -4.270 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -1.727 -14.176 -3.396 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -4.588 -12.867 -5.456 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -5.795 -13.496 -4.309 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -4.625 -12.262 -3.783 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -0.772 -14.142 -5.679 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -1.870 -15.529 -5.484 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -2.410 -14.084 -6.372 1.00 0.00 H new ATOM 115 N PHE A 11 -3.023 -12.939 -1.163 1.00 0.00 N ATOM 116 CA PHE A 11 -3.005 -11.806 -0.253 1.00 0.00 C ATOM 117 C PHE A 11 -2.212 -10.640 -0.844 1.00 0.00 C ATOM 118 O PHE A 11 -1.350 -10.840 -1.699 1.00 0.00 O ATOM 119 CB PHE A 11 -2.319 -12.275 1.032 1.00 0.00 C ATOM 120 CG PHE A 11 -3.289 -12.694 2.139 1.00 0.00 C ATOM 121 CD1 PHE A 11 -4.127 -13.747 1.946 1.00 0.00 C ATOM 122 CD2 PHE A 11 -3.312 -12.012 3.315 1.00 0.00 C ATOM 123 CE1 PHE A 11 -5.027 -14.135 2.973 1.00 0.00 C ATOM 124 CE2 PHE A 11 -4.212 -12.400 4.343 1.00 0.00 C ATOM 125 CZ PHE A 11 -5.051 -13.453 4.150 1.00 0.00 C ATOM 0 H PHE A 11 -2.102 -13.282 -1.435 1.00 0.00 H new ATOM 0 HA PHE A 11 -4.022 -11.461 -0.069 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -1.667 -13.116 0.797 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -1.683 -11.473 1.405 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -4.108 -14.288 1.012 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -2.646 -11.175 3.467 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -5.693 -14.972 2.820 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -4.230 -11.859 5.278 1.00 0.00 H new ATOM 0 HZ PHE A 11 -5.736 -13.748 4.931 1.00 0.00 H new ATOM 135 N CYS A 12 -2.530 -9.446 -0.366 1.00 0.00 N ATOM 136 CA CYS A 12 -1.858 -8.247 -0.837 1.00 0.00 C ATOM 137 C CYS A 12 -1.243 -7.536 0.370 1.00 0.00 C ATOM 138 O CYS A 12 -1.963 -7.030 1.230 1.00 0.00 O ATOM 139 CB CYS A 12 -2.808 -7.334 -1.614 1.00 0.00 C ATOM 140 SG CYS A 12 -1.983 -5.743 -1.985 1.00 0.00 S ATOM 0 H CYS A 12 -3.245 -9.283 0.343 1.00 0.00 H new ATOM 0 HA CYS A 12 -1.069 -8.521 -1.538 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -3.115 -7.819 -2.541 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -3.713 -7.157 -1.032 1.00 0.00 H new ATOM 0 HG CYS A 12 -2.452 -5.260 -3.097 1.00 0.00 H new ATOM 146 N HIS A 13 0.081 -7.519 0.395 1.00 0.00 N ATOM 147 CA HIS A 13 0.801 -6.878 1.483 1.00 0.00 C ATOM 148 C HIS A 13 0.975 -5.390 1.176 1.00 0.00 C ATOM 149 O HIS A 13 1.573 -5.026 0.164 1.00 0.00 O ATOM 150 CB HIS A 13 2.131 -7.588 1.747 1.00 0.00 C ATOM 151 CG HIS A 13 1.982 -8.970 2.338 1.00 0.00 C ATOM 152 ND1 HIS A 13 2.074 -10.124 1.580 1.00 0.00 N ATOM 153 CD2 HIS A 13 1.748 -9.370 3.621 1.00 0.00 C ATOM 154 CE1 HIS A 13 1.901 -11.165 2.380 1.00 0.00 C ATOM 155 NE2 HIS A 13 1.698 -10.696 3.644 1.00 0.00 N ATOM 0 H HIS A 13 0.675 -7.939 -0.320 1.00 0.00 H new ATOM 0 HA HIS A 13 0.223 -6.959 2.404 1.00 0.00 H new ATOM 0 HB2 HIS A 13 2.684 -7.662 0.811 1.00 0.00 H new ATOM 0 HB3 HIS A 13 2.729 -6.977 2.423 1.00 0.00 H new ATOM 0 HD2 HIS A 13 1.624 -8.718 4.473 1.00 0.00 H new ATOM 0 HE1 HIS A 13 1.918 -12.203 2.083 1.00 0.00 H new ATOM 0 HE2 HIS A 13 1.535 -11.270 4.471 1.00 0.00 H new ATOM 163 N VAL A 14 0.442 -4.568 2.068 1.00 0.00 N ATOM 164 CA VAL A 14 0.531 -3.127 1.906 1.00 0.00 C ATOM 165 C VAL A 14 1.396 -2.544 3.025 1.00 0.00 C ATOM 166 O VAL A 14 0.919 -2.336 4.139 1.00 0.00 O ATOM 167 CB VAL A 14 -0.872 -2.519 1.856 1.00 0.00 C ATOM 168 CG1 VAL A 14 -0.810 -0.991 1.923 1.00 0.00 C ATOM 169 CG2 VAL A 14 -1.627 -2.983 0.610 1.00 0.00 C ATOM 0 H VAL A 14 -0.053 -4.873 2.906 1.00 0.00 H new ATOM 0 HA VAL A 14 1.013 -2.878 0.960 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.421 -2.871 2.730 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -1.820 -0.584 1.886 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.330 -0.687 2.853 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.235 -0.613 1.078 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -2.621 -2.536 0.599 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -1.081 -2.675 -0.282 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -1.718 -4.069 0.623 1.00 0.00 H new ATOM 179 N TYR A 15 2.654 -2.298 2.690 1.00 0.00 N ATOM 180 CA TYR A 15 3.590 -1.743 3.652 1.00 0.00 C ATOM 181 C TYR A 15 3.301 -0.263 3.909 1.00 0.00 C ATOM 182 O TYR A 15 3.603 0.587 3.072 1.00 0.00 O ATOM 183 CB TYR A 15 4.976 -1.876 3.018 1.00 0.00 C ATOM 184 CG TYR A 15 5.639 -3.236 3.251 1.00 0.00 C ATOM 185 CD1 TYR A 15 4.911 -4.396 3.084 1.00 0.00 C ATOM 186 CD2 TYR A 15 6.965 -3.301 3.629 1.00 0.00 C ATOM 187 CE1 TYR A 15 5.535 -5.675 3.303 1.00 0.00 C ATOM 188 CE2 TYR A 15 7.588 -4.581 3.848 1.00 0.00 C ATOM 189 CZ TYR A 15 6.842 -5.704 3.674 1.00 0.00 C ATOM 190 OH TYR A 15 7.432 -6.913 3.881 1.00 0.00 O ATOM 0 H TYR A 15 3.047 -2.473 1.765 1.00 0.00 H new ATOM 0 HA TYR A 15 3.514 -2.266 4.605 1.00 0.00 H new ATOM 0 HB2 TYR A 15 4.892 -1.703 1.945 1.00 0.00 H new ATOM 0 HB3 TYR A 15 5.623 -1.095 3.417 1.00 0.00 H new ATOM 0 HD1 TYR A 15 3.873 -4.345 2.789 1.00 0.00 H new ATOM 0 HD2 TYR A 15 7.535 -2.393 3.760 1.00 0.00 H new ATOM 0 HE1 TYR A 15 4.977 -6.591 3.175 1.00 0.00 H new ATOM 0 HE2 TYR A 15 8.625 -4.647 4.144 1.00 0.00 H new ATOM 0 HH TYR A 15 8.368 -6.780 4.140 1.00 0.00 H new ATOM 200 N ILE A 16 2.718 0.001 5.069 1.00 0.00 N ATOM 201 CA ILE A 16 2.384 1.364 5.446 1.00 0.00 C ATOM 202 C ILE A 16 3.669 2.186 5.563 1.00 0.00 C ATOM 203 O ILE A 16 3.836 3.186 4.867 1.00 0.00 O ATOM 204 CB ILE A 16 1.530 1.374 6.716 1.00 0.00 C ATOM 205 CG1 ILE A 16 0.326 0.440 6.575 1.00 0.00 C ATOM 206 CG2 ILE A 16 1.109 2.799 7.082 1.00 0.00 C ATOM 207 CD1 ILE A 16 -0.059 -0.165 7.926 1.00 0.00 C ATOM 0 H ILE A 16 2.468 -0.706 5.760 1.00 0.00 H new ATOM 0 HA ILE A 16 1.774 1.834 4.675 1.00 0.00 H new ATOM 0 HB ILE A 16 2.137 0.995 7.538 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -0.520 0.991 6.165 1.00 0.00 H new ATOM 0 HG13 ILE A 16 0.560 -0.357 5.869 1.00 0.00 H new ATOM 0 HG21 ILE A 16 0.503 2.778 7.988 1.00 0.00 H new ATOM 0 HG22 ILE A 16 1.997 3.408 7.253 1.00 0.00 H new ATOM 0 HG23 ILE A 16 0.527 3.227 6.266 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -0.917 -0.825 7.798 1.00 0.00 H new ATOM 0 HD12 ILE A 16 0.781 -0.735 8.322 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -0.316 0.633 8.622 1.00 0.00 H new ATOM 219 N THR A 17 4.544 1.733 6.449 1.00 0.00 N ATOM 220 CA THR A 17 5.809 2.414 6.666 1.00 0.00 C ATOM 221 C THR A 17 6.977 1.515 6.255 1.00 0.00 C ATOM 222 O THR A 17 6.907 0.826 5.239 1.00 0.00 O ATOM 223 CB THR A 17 5.865 2.852 8.131 1.00 0.00 C ATOM 224 OG1 THR A 17 5.856 1.628 8.860 1.00 0.00 O ATOM 225 CG2 THR A 17 4.587 3.562 8.579 1.00 0.00 C ATOM 0 H THR A 17 4.402 0.903 7.025 1.00 0.00 H new ATOM 0 HA THR A 17 5.891 3.304 6.042 1.00 0.00 H new ATOM 0 HB THR A 17 6.719 3.514 8.279 1.00 0.00 H new ATOM 0 HG1 THR A 17 6.464 1.699 9.625 1.00 0.00 H new ATOM 0 HG21 THR A 17 4.679 3.852 9.626 1.00 0.00 H new ATOM 0 HG22 THR A 17 4.432 4.452 7.969 1.00 0.00 H new ATOM 0 HG23 THR A 17 3.737 2.889 8.462 1.00 0.00 H new ATOM 233 N GLU A 18 8.023 1.549 7.068 1.00 0.00 N ATOM 234 CA GLU A 18 9.204 0.745 6.802 1.00 0.00 C ATOM 235 C GLU A 18 9.125 -0.580 7.562 1.00 0.00 C ATOM 236 O GLU A 18 9.596 -1.607 7.076 1.00 0.00 O ATOM 237 CB GLU A 18 10.479 1.509 7.162 1.00 0.00 C ATOM 238 CG GLU A 18 11.712 0.835 6.556 1.00 0.00 C ATOM 239 CD GLU A 18 11.998 1.375 5.153 1.00 0.00 C ATOM 240 OE1 GLU A 18 11.011 1.632 4.431 1.00 0.00 O ATOM 241 OE2 GLU A 18 13.198 1.520 4.835 1.00 0.00 O ATOM 0 H GLU A 18 8.077 2.121 7.911 1.00 0.00 H new ATOM 0 HA GLU A 18 9.240 0.527 5.735 1.00 0.00 H new ATOM 0 HB2 GLU A 18 10.407 2.535 6.801 1.00 0.00 H new ATOM 0 HB3 GLU A 18 10.583 1.559 8.246 1.00 0.00 H new ATOM 0 HG2 GLU A 18 12.576 1.005 7.198 1.00 0.00 H new ATOM 0 HG3 GLU A 18 11.556 -0.243 6.510 1.00 0.00 H new ATOM 248 N HIS A 19 8.527 -0.514 8.742 1.00 0.00 N ATOM 249 CA HIS A 19 8.381 -1.697 9.574 1.00 0.00 C ATOM 250 C HIS A 19 6.901 -1.923 9.889 1.00 0.00 C ATOM 251 O HIS A 19 6.561 -2.435 10.955 1.00 0.00 O ATOM 252 CB HIS A 19 9.245 -1.586 10.832 1.00 0.00 C ATOM 253 CG HIS A 19 10.618 -1.007 10.586 1.00 0.00 C ATOM 254 ND1 HIS A 19 11.732 -1.794 10.351 1.00 0.00 N ATOM 255 CD2 HIS A 19 11.044 0.288 10.540 1.00 0.00 C ATOM 256 CE1 HIS A 19 12.776 -0.997 10.173 1.00 0.00 C ATOM 257 NE2 HIS A 19 12.348 0.292 10.292 1.00 0.00 N ATOM 0 H HIS A 19 8.138 0.340 9.142 1.00 0.00 H new ATOM 0 HA HIS A 19 8.740 -2.573 9.034 1.00 0.00 H new ATOM 0 HB2 HIS A 19 8.726 -0.966 11.563 1.00 0.00 H new ATOM 0 HB3 HIS A 19 9.354 -2.576 11.274 1.00 0.00 H new ATOM 0 HD2 HIS A 19 10.425 1.162 10.681 1.00 0.00 H new ATOM 0 HE1 HIS A 19 13.788 -1.313 9.969 1.00 0.00 H new ATOM 0 HE2 HIS A 19 12.933 1.123 10.205 1.00 0.00 H new ATOM 265 N SER A 20 6.061 -1.532 8.942 1.00 0.00 N ATOM 266 CA SER A 20 4.626 -1.686 9.105 1.00 0.00 C ATOM 267 C SER A 20 3.995 -2.138 7.786 1.00 0.00 C ATOM 268 O SER A 20 4.438 -1.735 6.712 1.00 0.00 O ATOM 269 CB SER A 20 3.982 -0.382 9.581 1.00 0.00 C ATOM 270 OG SER A 20 4.711 0.212 10.652 1.00 0.00 O ATOM 0 H SER A 20 6.347 -1.109 8.059 1.00 0.00 H new ATOM 0 HA SER A 20 4.448 -2.446 9.866 1.00 0.00 H new ATOM 0 HB2 SER A 20 3.924 0.319 8.748 1.00 0.00 H new ATOM 0 HB3 SER A 20 2.960 -0.579 9.903 1.00 0.00 H new ATOM 0 HG SER A 20 5.021 1.102 10.383 1.00 0.00 H new ATOM 276 N TYR A 21 2.971 -2.969 7.911 1.00 0.00 N ATOM 277 CA TYR A 21 2.275 -3.480 6.743 1.00 0.00 C ATOM 278 C TYR A 21 0.878 -3.983 7.113 1.00 0.00 C ATOM 279 O TYR A 21 0.494 -3.955 8.281 1.00 0.00 O ATOM 280 CB TYR A 21 3.110 -4.657 6.236 1.00 0.00 C ATOM 281 CG TYR A 21 2.813 -5.981 6.941 1.00 0.00 C ATOM 282 CD1 TYR A 21 3.229 -6.179 8.243 1.00 0.00 C ATOM 283 CD2 TYR A 21 2.128 -6.979 6.277 1.00 0.00 C ATOM 284 CE1 TYR A 21 2.948 -7.425 8.907 1.00 0.00 C ATOM 285 CE2 TYR A 21 1.848 -8.225 6.942 1.00 0.00 C ATOM 286 CZ TYR A 21 2.272 -8.387 8.224 1.00 0.00 C ATOM 287 OH TYR A 21 2.007 -9.564 8.851 1.00 0.00 O ATOM 0 H TYR A 21 2.607 -3.301 8.804 1.00 0.00 H new ATOM 0 HA TYR A 21 2.157 -2.697 5.994 1.00 0.00 H new ATOM 0 HB2 TYR A 21 2.935 -4.779 5.167 1.00 0.00 H new ATOM 0 HB3 TYR A 21 4.167 -4.420 6.361 1.00 0.00 H new ATOM 0 HD1 TYR A 21 3.765 -5.399 8.763 1.00 0.00 H new ATOM 0 HD2 TYR A 21 1.802 -6.825 5.259 1.00 0.00 H new ATOM 0 HE1 TYR A 21 3.267 -7.592 9.925 1.00 0.00 H new ATOM 0 HE2 TYR A 21 1.313 -9.014 6.434 1.00 0.00 H new ATOM 0 HH TYR A 21 1.517 -10.156 8.242 1.00 0.00 H new ATOM 297 N VAL A 22 0.157 -4.433 6.096 1.00 0.00 N ATOM 298 CA VAL A 22 -1.188 -4.942 6.300 1.00 0.00 C ATOM 299 C VAL A 22 -1.411 -6.159 5.400 1.00 0.00 C ATOM 300 O VAL A 22 -0.981 -6.169 4.247 1.00 0.00 O ATOM 301 CB VAL A 22 -2.211 -3.828 6.063 1.00 0.00 C ATOM 302 CG1 VAL A 22 -3.558 -4.177 6.698 1.00 0.00 C ATOM 303 CG2 VAL A 22 -1.691 -2.487 6.583 1.00 0.00 C ATOM 0 H VAL A 22 0.479 -4.455 5.129 1.00 0.00 H new ATOM 0 HA VAL A 22 -1.319 -5.272 7.331 1.00 0.00 H new ATOM 0 HB VAL A 22 -2.362 -3.735 4.988 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -4.267 -3.369 6.515 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -3.939 -5.100 6.260 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -3.430 -4.311 7.772 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -2.437 -1.713 6.402 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -1.498 -2.562 7.653 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -0.767 -2.229 6.065 1.00 0.00 H new ATOM 313 N SER A 23 -2.081 -7.155 5.960 1.00 0.00 N ATOM 314 CA SER A 23 -2.365 -8.374 5.223 1.00 0.00 C ATOM 315 C SER A 23 -3.767 -8.303 4.615 1.00 0.00 C ATOM 316 O SER A 23 -4.753 -8.614 5.281 1.00 0.00 O ATOM 317 CB SER A 23 -2.239 -9.605 6.123 1.00 0.00 C ATOM 318 OG SER A 23 -3.385 -9.781 6.950 1.00 0.00 O ATOM 0 H SER A 23 -2.436 -7.143 6.916 1.00 0.00 H new ATOM 0 HA SER A 23 -1.632 -8.467 4.422 1.00 0.00 H new ATOM 0 HB2 SER A 23 -2.098 -10.492 5.506 1.00 0.00 H new ATOM 0 HB3 SER A 23 -1.352 -9.507 6.749 1.00 0.00 H new ATOM 0 HG SER A 23 -4.022 -9.055 6.784 1.00 0.00 H new ATOM 324 N VAL A 24 -3.811 -7.892 3.356 1.00 0.00 N ATOM 325 CA VAL A 24 -5.076 -7.776 2.651 1.00 0.00 C ATOM 326 C VAL A 24 -5.304 -9.034 1.810 1.00 0.00 C ATOM 327 O VAL A 24 -4.351 -9.643 1.327 1.00 0.00 O ATOM 328 CB VAL A 24 -5.097 -6.491 1.820 1.00 0.00 C ATOM 329 CG1 VAL A 24 -6.380 -6.393 0.992 1.00 0.00 C ATOM 330 CG2 VAL A 24 -4.924 -5.259 2.712 1.00 0.00 C ATOM 0 H VAL A 24 -2.991 -7.635 2.806 1.00 0.00 H new ATOM 0 HA VAL A 24 -5.902 -7.703 3.359 1.00 0.00 H new ATOM 0 HB VAL A 24 -4.255 -6.526 1.129 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -6.369 -5.471 0.411 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -6.443 -7.246 0.317 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -7.243 -6.392 1.657 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -4.942 -4.359 2.097 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -5.736 -5.219 3.438 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -3.970 -5.321 3.236 1.00 0.00 H new ATOM 340 N LYS A 25 -6.573 -9.386 1.662 1.00 0.00 N ATOM 341 CA LYS A 25 -6.938 -10.561 0.889 1.00 0.00 C ATOM 342 C LYS A 25 -7.366 -10.129 -0.515 1.00 0.00 C ATOM 343 O LYS A 25 -8.503 -9.707 -0.719 1.00 0.00 O ATOM 344 CB LYS A 25 -7.996 -11.382 1.629 1.00 0.00 C ATOM 345 CG LYS A 25 -8.136 -12.776 1.015 1.00 0.00 C ATOM 346 CD LYS A 25 -9.039 -13.665 1.872 1.00 0.00 C ATOM 347 CE LYS A 25 -8.827 -15.144 1.542 1.00 0.00 C ATOM 348 NZ LYS A 25 -9.914 -15.642 0.670 1.00 0.00 N ATOM 0 H LYS A 25 -7.361 -8.878 2.064 1.00 0.00 H new ATOM 0 HA LYS A 25 -6.079 -11.222 0.772 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -7.724 -11.470 2.681 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -8.955 -10.866 1.590 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -8.549 -12.694 0.009 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -7.152 -13.236 0.920 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -8.830 -13.491 2.928 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -10.082 -13.398 1.705 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -7.865 -15.278 1.047 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -8.795 -15.727 2.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -9.754 -16.647 0.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -10.827 -15.532 1.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -9.926 -15.097 -0.216 1.00 0.00 H new ATOM 362 N ALA A 26 -6.432 -10.250 -1.447 1.00 0.00 N ATOM 363 CA ALA A 26 -6.699 -9.878 -2.826 1.00 0.00 C ATOM 364 C ALA A 26 -7.000 -11.137 -3.641 1.00 0.00 C ATOM 365 O ALA A 26 -6.986 -12.245 -3.106 1.00 0.00 O ATOM 366 CB ALA A 26 -5.508 -9.094 -3.383 1.00 0.00 C ATOM 0 H ALA A 26 -5.490 -10.600 -1.274 1.00 0.00 H new ATOM 0 HA ALA A 26 -7.573 -9.230 -2.886 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -5.708 -8.815 -4.417 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -5.354 -8.194 -2.787 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -4.613 -9.714 -3.341 1.00 0.00 H new ATOM 372 N LYS A 27 -7.265 -10.925 -4.922 1.00 0.00 N ATOM 373 CA LYS A 27 -7.569 -12.030 -5.816 1.00 0.00 C ATOM 374 C LYS A 27 -6.488 -12.119 -6.895 1.00 0.00 C ATOM 375 O LYS A 27 -5.575 -11.295 -6.935 1.00 0.00 O ATOM 376 CB LYS A 27 -8.986 -11.892 -6.376 1.00 0.00 C ATOM 377 CG LYS A 27 -9.988 -11.582 -5.261 1.00 0.00 C ATOM 378 CD LYS A 27 -10.571 -12.870 -4.676 1.00 0.00 C ATOM 379 CE LYS A 27 -11.795 -12.572 -3.808 1.00 0.00 C ATOM 380 NZ LYS A 27 -11.996 -13.645 -2.809 1.00 0.00 N ATOM 0 H LYS A 27 -7.276 -10.005 -5.362 1.00 0.00 H new ATOM 0 HA LYS A 27 -7.556 -12.975 -5.272 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -9.010 -11.098 -7.123 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -9.273 -12.814 -6.882 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -9.497 -11.010 -4.474 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -10.792 -10.959 -5.652 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -10.849 -13.547 -5.484 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -9.813 -13.379 -4.080 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -11.665 -11.616 -3.302 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -12.681 -12.482 -4.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -12.831 -13.427 -2.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -12.141 -14.551 -3.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -11.157 -13.712 -2.198 1.00 0.00 H new ATOM 394 N VAL A 28 -6.626 -13.127 -7.744 1.00 0.00 N ATOM 395 CA VAL A 28 -5.672 -13.335 -8.820 1.00 0.00 C ATOM 396 C VAL A 28 -5.888 -12.272 -9.899 1.00 0.00 C ATOM 397 O VAL A 28 -5.068 -12.126 -10.804 1.00 0.00 O ATOM 398 CB VAL A 28 -5.791 -14.763 -9.356 1.00 0.00 C ATOM 399 CG1 VAL A 28 -7.022 -14.912 -10.251 1.00 0.00 C ATOM 400 CG2 VAL A 28 -4.519 -15.177 -10.099 1.00 0.00 C ATOM 0 H VAL A 28 -7.384 -13.808 -7.708 1.00 0.00 H new ATOM 0 HA VAL A 28 -4.652 -13.224 -8.453 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.914 -15.432 -8.504 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -7.083 -15.936 -10.619 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -7.919 -14.678 -9.678 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -6.943 -14.228 -11.096 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -4.630 -16.196 -10.470 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -4.352 -14.502 -10.938 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -3.668 -15.129 -9.419 1.00 0.00 H new ATOM 410 N SER A 29 -6.995 -11.557 -9.767 1.00 0.00 N ATOM 411 CA SER A 29 -7.329 -10.511 -10.719 1.00 0.00 C ATOM 412 C SER A 29 -8.077 -9.379 -10.013 1.00 0.00 C ATOM 413 O SER A 29 -9.104 -8.910 -10.501 1.00 0.00 O ATOM 414 CB SER A 29 -8.169 -11.064 -11.872 1.00 0.00 C ATOM 415 OG SER A 29 -7.449 -12.019 -12.648 1.00 0.00 O ATOM 0 H SER A 29 -7.673 -11.681 -9.015 1.00 0.00 H new ATOM 0 HA SER A 29 -6.401 -10.119 -11.136 1.00 0.00 H new ATOM 0 HB2 SER A 29 -9.071 -11.527 -11.473 1.00 0.00 H new ATOM 0 HB3 SER A 29 -8.489 -10.243 -12.514 1.00 0.00 H new ATOM 0 HG SER A 29 -8.020 -12.349 -13.373 1.00 0.00 H new ATOM 421 N SER A 30 -7.533 -8.973 -8.875 1.00 0.00 N ATOM 422 CA SER A 30 -8.136 -7.905 -8.096 1.00 0.00 C ATOM 423 C SER A 30 -7.360 -6.603 -8.305 1.00 0.00 C ATOM 424 O SER A 30 -6.131 -6.609 -8.348 1.00 0.00 O ATOM 425 CB SER A 30 -8.181 -8.264 -6.610 1.00 0.00 C ATOM 426 OG SER A 30 -8.931 -7.317 -5.854 1.00 0.00 O ATOM 0 H SER A 30 -6.681 -9.365 -8.474 1.00 0.00 H new ATOM 0 HA SER A 30 -9.161 -7.769 -8.439 1.00 0.00 H new ATOM 0 HB2 SER A 30 -8.621 -9.254 -6.489 1.00 0.00 H new ATOM 0 HB3 SER A 30 -7.165 -8.317 -6.219 1.00 0.00 H new ATOM 0 HG SER A 30 -8.937 -7.583 -4.911 1.00 0.00 H new ATOM 432 N ILE A 31 -8.110 -5.518 -8.429 1.00 0.00 N ATOM 433 CA ILE A 31 -7.508 -4.211 -8.632 1.00 0.00 C ATOM 434 C ILE A 31 -6.909 -3.720 -7.313 1.00 0.00 C ATOM 435 O ILE A 31 -7.242 -4.234 -6.247 1.00 0.00 O ATOM 436 CB ILE A 31 -8.522 -3.243 -9.246 1.00 0.00 C ATOM 437 CG1 ILE A 31 -9.824 -3.231 -8.442 1.00 0.00 C ATOM 438 CG2 ILE A 31 -8.763 -3.564 -10.722 1.00 0.00 C ATOM 439 CD1 ILE A 31 -10.614 -1.946 -8.696 1.00 0.00 C ATOM 0 H ILE A 31 -9.129 -5.517 -8.393 1.00 0.00 H new ATOM 0 HA ILE A 31 -6.690 -4.276 -9.349 1.00 0.00 H new ATOM 0 HB ILE A 31 -8.105 -2.237 -9.200 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -10.431 -4.095 -8.713 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -9.600 -3.320 -7.379 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -9.487 -2.861 -11.134 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -7.825 -3.481 -11.270 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -9.149 -4.579 -10.815 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -11.535 -1.963 -8.113 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -10.014 -1.085 -8.401 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -10.858 -1.872 -9.756 1.00 0.00 H new ATOM 451 N ALA A 32 -6.036 -2.730 -7.429 1.00 0.00 N ATOM 452 CA ALA A 32 -5.387 -2.164 -6.259 1.00 0.00 C ATOM 453 C ALA A 32 -6.449 -1.578 -5.326 1.00 0.00 C ATOM 454 O ALA A 32 -6.367 -1.736 -4.109 1.00 0.00 O ATOM 455 CB ALA A 32 -4.359 -1.120 -6.700 1.00 0.00 C ATOM 0 H ALA A 32 -5.763 -2.305 -8.315 1.00 0.00 H new ATOM 0 HA ALA A 32 -4.851 -2.936 -5.706 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -3.872 -0.695 -5.822 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -3.611 -1.592 -7.337 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -4.861 -0.328 -7.256 1.00 0.00 H new ATOM 461 N GLN A 33 -7.422 -0.913 -5.933 1.00 0.00 N ATOM 462 CA GLN A 33 -8.498 -0.302 -5.172 1.00 0.00 C ATOM 463 C GLN A 33 -9.081 -1.307 -4.176 1.00 0.00 C ATOM 464 O GLN A 33 -9.333 -0.968 -3.021 1.00 0.00 O ATOM 465 CB GLN A 33 -9.585 0.243 -6.100 1.00 0.00 C ATOM 466 CG GLN A 33 -10.853 0.590 -5.316 1.00 0.00 C ATOM 467 CD GLN A 33 -11.188 2.077 -5.446 1.00 0.00 C ATOM 468 OE1 GLN A 33 -12.179 2.467 -6.042 1.00 0.00 O ATOM 469 NE2 GLN A 33 -10.309 2.883 -4.857 1.00 0.00 N ATOM 0 H GLN A 33 -7.487 -0.784 -6.943 1.00 0.00 H new ATOM 0 HA GLN A 33 -8.089 0.539 -4.612 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -9.217 1.131 -6.615 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -9.818 -0.496 -6.866 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -11.687 -0.008 -5.683 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -10.716 0.335 -4.265 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -9.501 2.490 -4.375 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -10.443 3.894 -4.888 1.00 0.00 H new ATOM 478 N GLU A 34 -9.278 -2.525 -4.660 1.00 0.00 N ATOM 479 CA GLU A 34 -9.826 -3.582 -3.828 1.00 0.00 C ATOM 480 C GLU A 34 -8.969 -3.769 -2.574 1.00 0.00 C ATOM 481 O GLU A 34 -9.427 -4.335 -1.583 1.00 0.00 O ATOM 482 CB GLU A 34 -9.946 -4.891 -4.610 1.00 0.00 C ATOM 483 CG GLU A 34 -11.166 -4.869 -5.533 1.00 0.00 C ATOM 484 CD GLU A 34 -12.457 -4.697 -4.731 1.00 0.00 C ATOM 485 OE1 GLU A 34 -12.699 -5.555 -3.854 1.00 0.00 O ATOM 486 OE2 GLU A 34 -13.173 -3.712 -5.012 1.00 0.00 O ATOM 0 H GLU A 34 -9.068 -2.803 -5.619 1.00 0.00 H new ATOM 0 HA GLU A 34 -10.829 -3.290 -3.519 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -9.043 -5.051 -5.199 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -10.026 -5.727 -3.916 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -11.069 -4.055 -6.251 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -11.210 -5.795 -6.106 1.00 0.00 H new ATOM 493 N ILE A 35 -7.740 -3.281 -2.659 1.00 0.00 N ATOM 494 CA ILE A 35 -6.815 -3.387 -1.543 1.00 0.00 C ATOM 495 C ILE A 35 -6.766 -2.052 -0.798 1.00 0.00 C ATOM 496 O ILE A 35 -6.859 -2.018 0.428 1.00 0.00 O ATOM 497 CB ILE A 35 -5.446 -3.872 -2.027 1.00 0.00 C ATOM 498 CG1 ILE A 35 -5.594 -4.994 -3.056 1.00 0.00 C ATOM 499 CG2 ILE A 35 -4.564 -4.287 -0.848 1.00 0.00 C ATOM 500 CD1 ILE A 35 -6.237 -6.233 -2.428 1.00 0.00 C ATOM 0 H ILE A 35 -7.363 -2.812 -3.483 1.00 0.00 H new ATOM 0 HA ILE A 35 -7.161 -4.137 -0.831 1.00 0.00 H new ATOM 0 HB ILE A 35 -4.946 -3.042 -2.527 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -6.203 -4.648 -3.892 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -4.615 -5.253 -3.460 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -3.597 -4.628 -1.219 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -4.418 -3.434 -0.185 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -5.047 -5.095 -0.299 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -6.331 -7.016 -3.181 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -5.614 -6.591 -1.609 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -7.225 -5.976 -2.047 1.00 0.00 H new ATOM 512 N LEU A 36 -6.620 -0.985 -1.569 1.00 0.00 N ATOM 513 CA LEU A 36 -6.558 0.349 -0.997 1.00 0.00 C ATOM 514 C LEU A 36 -7.814 0.599 -0.160 1.00 0.00 C ATOM 515 O LEU A 36 -7.742 1.205 0.908 1.00 0.00 O ATOM 516 CB LEU A 36 -6.332 1.392 -2.093 1.00 0.00 C ATOM 517 CG LEU A 36 -6.048 2.817 -1.614 1.00 0.00 C ATOM 518 CD1 LEU A 36 -4.584 2.975 -1.201 1.00 0.00 C ATOM 519 CD2 LEU A 36 -6.459 3.843 -2.673 1.00 0.00 C ATOM 0 H LEU A 36 -6.543 -1.017 -2.586 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.704 0.436 -0.325 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -5.497 1.065 -2.712 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -7.214 1.414 -2.733 1.00 0.00 H new ATOM 0 HG LEU A 36 -6.654 3.007 -0.728 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -4.409 3.997 -0.865 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -4.358 2.282 -0.390 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -3.940 2.758 -2.053 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -6.247 4.848 -2.308 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -5.898 3.664 -3.590 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -7.526 3.749 -2.876 1.00 0.00 H new ATOM 531 N LYS A 37 -8.936 0.120 -0.676 1.00 0.00 N ATOM 532 CA LYS A 37 -10.206 0.284 0.010 1.00 0.00 C ATOM 533 C LYS A 37 -10.163 -0.471 1.340 1.00 0.00 C ATOM 534 O LYS A 37 -10.802 -0.065 2.310 1.00 0.00 O ATOM 535 CB LYS A 37 -11.364 -0.135 -0.898 1.00 0.00 C ATOM 536 CG LYS A 37 -11.260 -1.615 -1.272 1.00 0.00 C ATOM 537 CD LYS A 37 -12.349 -2.434 -0.577 1.00 0.00 C ATOM 538 CE LYS A 37 -12.317 -3.893 -1.039 1.00 0.00 C ATOM 539 NZ LYS A 37 -13.672 -4.342 -1.432 1.00 0.00 N ATOM 0 H LYS A 37 -8.992 -0.382 -1.562 1.00 0.00 H new ATOM 0 HA LYS A 37 -10.380 1.334 0.244 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -12.312 0.050 -0.393 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -11.360 0.473 -1.802 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -11.349 -1.728 -2.352 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -10.278 -1.997 -0.991 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -12.210 -2.388 0.503 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -13.327 -2.002 -0.792 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -11.634 -3.999 -1.882 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -11.936 -4.526 -0.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -13.625 -4.821 -2.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -14.040 -5.002 -0.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -14.304 -3.519 -1.502 1.00 0.00 H new ATOM 553 N VAL A 38 -9.404 -1.557 1.343 1.00 0.00 N ATOM 554 CA VAL A 38 -9.269 -2.373 2.538 1.00 0.00 C ATOM 555 C VAL A 38 -8.209 -1.757 3.454 1.00 0.00 C ATOM 556 O VAL A 38 -8.465 -1.518 4.632 1.00 0.00 O ATOM 557 CB VAL A 38 -8.958 -3.820 2.152 1.00 0.00 C ATOM 558 CG1 VAL A 38 -9.089 -4.750 3.359 1.00 0.00 C ATOM 559 CG2 VAL A 38 -9.854 -4.285 1.002 1.00 0.00 C ATOM 0 H VAL A 38 -8.876 -1.891 0.537 1.00 0.00 H new ATOM 0 HA VAL A 38 -10.206 -2.394 3.094 1.00 0.00 H new ATOM 0 HB VAL A 38 -7.924 -3.860 1.809 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -8.863 -5.772 3.057 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -8.391 -4.438 4.136 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -10.107 -4.703 3.746 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -9.613 -5.317 0.747 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -10.899 -4.221 1.306 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -9.690 -3.648 0.133 1.00 0.00 H new ATOM 569 N VAL A 39 -7.040 -1.520 2.876 1.00 0.00 N ATOM 570 CA VAL A 39 -5.940 -0.937 3.625 1.00 0.00 C ATOM 571 C VAL A 39 -6.401 0.375 4.262 1.00 0.00 C ATOM 572 O VAL A 39 -6.247 0.572 5.467 1.00 0.00 O ATOM 573 CB VAL A 39 -4.721 -0.765 2.716 1.00 0.00 C ATOM 574 CG1 VAL A 39 -3.520 -0.238 3.504 1.00 0.00 C ATOM 575 CG2 VAL A 39 -4.379 -2.075 2.004 1.00 0.00 C ATOM 0 H VAL A 39 -6.831 -1.721 1.898 1.00 0.00 H new ATOM 0 HA VAL A 39 -5.634 -1.601 4.434 1.00 0.00 H new ATOM 0 HB VAL A 39 -4.972 -0.026 1.955 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -2.667 -0.125 2.835 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -3.768 0.729 3.942 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -3.268 -0.942 4.297 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -3.509 -1.925 1.364 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -4.157 -2.844 2.744 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -5.227 -2.390 1.396 1.00 0.00 H new ATOM 585 N ALA A 40 -6.957 1.239 3.426 1.00 0.00 N ATOM 586 CA ALA A 40 -7.442 2.527 3.892 1.00 0.00 C ATOM 587 C ALA A 40 -8.091 2.355 5.267 1.00 0.00 C ATOM 588 O ALA A 40 -7.837 3.140 6.180 1.00 0.00 O ATOM 589 CB ALA A 40 -8.407 3.114 2.861 1.00 0.00 C ATOM 0 H ALA A 40 -7.083 1.072 2.428 1.00 0.00 H new ATOM 0 HA ALA A 40 -6.617 3.231 4.002 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -8.770 4.080 3.211 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -7.889 3.244 1.911 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -9.250 2.437 2.725 1.00 0.00 H new ATOM 595 N GLU A 41 -8.916 1.324 5.372 1.00 0.00 N ATOM 596 CA GLU A 41 -9.604 1.039 6.620 1.00 0.00 C ATOM 597 C GLU A 41 -8.622 0.480 7.651 1.00 0.00 C ATOM 598 O GLU A 41 -8.654 0.868 8.818 1.00 0.00 O ATOM 599 CB GLU A 41 -10.771 0.076 6.395 1.00 0.00 C ATOM 600 CG GLU A 41 -11.552 0.446 5.132 1.00 0.00 C ATOM 601 CD GLU A 41 -13.034 0.660 5.447 1.00 0.00 C ATOM 602 OE1 GLU A 41 -13.601 -0.218 6.132 1.00 0.00 O ATOM 603 OE2 GLU A 41 -13.566 1.698 4.996 1.00 0.00 O ATOM 0 H GLU A 41 -9.124 0.675 4.613 1.00 0.00 H new ATOM 0 HA GLU A 41 -10.015 1.971 7.007 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -10.395 -0.943 6.308 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -11.437 0.098 7.258 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -11.135 1.353 4.695 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -11.445 -0.344 4.389 1.00 0.00 H new ATOM 610 N LYS A 42 -7.773 -0.423 7.183 1.00 0.00 N ATOM 611 CA LYS A 42 -6.784 -1.040 8.051 1.00 0.00 C ATOM 612 C LYS A 42 -5.879 0.045 8.637 1.00 0.00 C ATOM 613 O LYS A 42 -5.201 -0.181 9.639 1.00 0.00 O ATOM 614 CB LYS A 42 -6.023 -2.136 7.301 1.00 0.00 C ATOM 615 CG LYS A 42 -6.418 -3.524 7.810 1.00 0.00 C ATOM 616 CD LYS A 42 -7.928 -3.742 7.691 1.00 0.00 C ATOM 617 CE LYS A 42 -8.340 -3.940 6.231 1.00 0.00 C ATOM 618 NZ LYS A 42 -9.755 -3.555 6.035 1.00 0.00 N ATOM 0 H LYS A 42 -7.749 -0.742 6.215 1.00 0.00 H new ATOM 0 HA LYS A 42 -7.270 -1.538 8.890 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -6.231 -2.063 6.234 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -4.950 -1.990 7.427 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -5.890 -4.288 7.239 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -6.112 -3.635 8.850 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -8.220 -4.614 8.277 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -8.457 -2.885 8.109 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -7.701 -3.341 5.582 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -8.198 -4.982 5.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -10.303 -4.387 5.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -10.141 -3.186 6.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -9.817 -2.821 5.301 1.00 0.00 H new ATOM 632 N ILE A 43 -5.896 1.200 7.988 1.00 0.00 N ATOM 633 CA ILE A 43 -5.086 2.321 8.433 1.00 0.00 C ATOM 634 C ILE A 43 -6.000 3.426 8.965 1.00 0.00 C ATOM 635 O ILE A 43 -5.546 4.327 9.670 1.00 0.00 O ATOM 636 CB ILE A 43 -4.149 2.782 7.315 1.00 0.00 C ATOM 637 CG1 ILE A 43 -4.791 3.898 6.488 1.00 0.00 C ATOM 638 CG2 ILE A 43 -3.712 1.603 6.444 1.00 0.00 C ATOM 639 CD1 ILE A 43 -3.798 4.471 5.475 1.00 0.00 C ATOM 0 H ILE A 43 -6.458 1.384 7.157 1.00 0.00 H new ATOM 0 HA ILE A 43 -4.438 2.020 9.256 1.00 0.00 H new ATOM 0 HB ILE A 43 -3.250 3.195 7.772 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -5.666 3.511 5.966 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -5.139 4.691 7.150 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -3.047 1.959 5.657 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -3.188 0.871 7.059 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -4.589 1.138 5.994 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -4.280 5.262 4.901 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -2.935 4.879 6.002 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -3.470 3.681 4.800 1.00 0.00 H new ATOM 651 N GLN A 44 -7.271 3.322 8.608 1.00 0.00 N ATOM 652 CA GLN A 44 -8.253 4.302 9.040 1.00 0.00 C ATOM 653 C GLN A 44 -8.074 5.610 8.268 1.00 0.00 C ATOM 654 O GLN A 44 -7.810 6.655 8.861 1.00 0.00 O ATOM 655 CB GLN A 44 -8.163 4.539 10.549 1.00 0.00 C ATOM 656 CG GLN A 44 -8.081 3.214 11.309 1.00 0.00 C ATOM 657 CD GLN A 44 -8.325 3.423 12.805 1.00 0.00 C ATOM 658 OE1 GLN A 44 -9.281 4.057 13.221 1.00 0.00 O ATOM 659 NE2 GLN A 44 -7.410 2.857 13.587 1.00 0.00 N ATOM 0 H GLN A 44 -7.644 2.574 8.024 1.00 0.00 H new ATOM 0 HA GLN A 44 -9.247 3.910 8.825 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -7.286 5.146 10.774 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -9.034 5.101 10.885 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -8.818 2.516 10.911 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -7.100 2.763 11.156 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -6.634 2.340 13.173 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -7.484 2.940 14.601 1.00 0.00 H new ATOM 668 N TYR A 45 -8.223 5.510 6.955 1.00 0.00 N ATOM 669 CA TYR A 45 -8.081 6.673 6.095 1.00 0.00 C ATOM 670 C TYR A 45 -9.093 6.634 4.948 1.00 0.00 C ATOM 671 O TYR A 45 -10.083 5.906 5.014 1.00 0.00 O ATOM 672 CB TYR A 45 -6.668 6.597 5.514 1.00 0.00 C ATOM 673 CG TYR A 45 -5.752 7.742 5.953 1.00 0.00 C ATOM 674 CD1 TYR A 45 -5.761 8.936 5.262 1.00 0.00 C ATOM 675 CD2 TYR A 45 -4.918 7.580 7.040 1.00 0.00 C ATOM 676 CE1 TYR A 45 -4.900 10.014 5.675 1.00 0.00 C ATOM 677 CE2 TYR A 45 -4.056 8.657 7.453 1.00 0.00 C ATOM 678 CZ TYR A 45 -4.090 9.821 6.750 1.00 0.00 C ATOM 679 OH TYR A 45 -3.276 10.839 7.140 1.00 0.00 O ATOM 0 H TYR A 45 -8.441 4.642 6.466 1.00 0.00 H new ATOM 0 HA TYR A 45 -8.253 7.590 6.658 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -6.216 5.650 5.809 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -6.733 6.594 4.426 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -6.414 9.062 4.411 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -4.912 6.645 7.581 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -4.898 10.954 5.143 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -3.398 8.543 8.301 1.00 0.00 H new ATOM 0 HH TYR A 45 -2.755 10.560 7.922 1.00 0.00 H new ATOM 689 N ALA A 46 -8.811 7.426 3.925 1.00 0.00 N ATOM 690 CA ALA A 46 -9.685 7.491 2.766 1.00 0.00 C ATOM 691 C ALA A 46 -8.945 6.943 1.544 1.00 0.00 C ATOM 692 O ALA A 46 -8.079 7.614 0.985 1.00 0.00 O ATOM 693 CB ALA A 46 -10.157 8.932 2.563 1.00 0.00 C ATOM 0 H ALA A 46 -7.990 8.028 3.874 1.00 0.00 H new ATOM 0 HA ALA A 46 -10.572 6.876 2.919 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -10.813 8.981 1.694 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -10.701 9.265 3.447 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -9.294 9.578 2.404 1.00 0.00 H new ATOM 699 N GLU A 47 -9.314 5.728 1.164 1.00 0.00 N ATOM 700 CA GLU A 47 -8.696 5.082 0.019 1.00 0.00 C ATOM 701 C GLU A 47 -8.575 6.068 -1.145 1.00 0.00 C ATOM 702 O GLU A 47 -7.565 6.085 -1.846 1.00 0.00 O ATOM 703 CB GLU A 47 -9.481 3.837 -0.397 1.00 0.00 C ATOM 704 CG GLU A 47 -10.957 4.169 -0.624 1.00 0.00 C ATOM 705 CD GLU A 47 -11.710 2.963 -1.191 1.00 0.00 C ATOM 706 OE1 GLU A 47 -11.414 2.604 -2.351 1.00 0.00 O ATOM 707 OE2 GLU A 47 -12.564 2.428 -0.451 1.00 0.00 O ATOM 0 H GLU A 47 -10.033 5.174 1.629 1.00 0.00 H new ATOM 0 HA GLU A 47 -7.694 4.761 0.304 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -9.054 3.422 -1.310 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -9.391 3.072 0.374 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -11.413 4.477 0.317 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -11.043 5.011 -1.311 1.00 0.00 H new ATOM 714 N GLU A 48 -9.620 6.865 -1.315 1.00 0.00 N ATOM 715 CA GLU A 48 -9.643 7.851 -2.382 1.00 0.00 C ATOM 716 C GLU A 48 -8.493 8.845 -2.211 1.00 0.00 C ATOM 717 O GLU A 48 -7.911 9.302 -3.194 1.00 0.00 O ATOM 718 CB GLU A 48 -10.990 8.575 -2.430 1.00 0.00 C ATOM 719 CG GLU A 48 -11.403 9.058 -1.038 1.00 0.00 C ATOM 720 CD GLU A 48 -12.468 10.154 -1.132 1.00 0.00 C ATOM 721 OE1 GLU A 48 -12.475 10.850 -2.169 1.00 0.00 O ATOM 722 OE2 GLU A 48 -13.249 10.269 -0.163 1.00 0.00 O ATOM 0 H GLU A 48 -10.457 6.848 -0.732 1.00 0.00 H new ATOM 0 HA GLU A 48 -9.512 7.333 -3.332 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -10.926 9.425 -3.110 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -11.753 7.906 -2.828 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -11.789 8.220 -0.458 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -10.530 9.438 -0.507 1.00 0.00 H new ATOM 729 N ASP A 49 -8.199 9.152 -0.956 1.00 0.00 N ATOM 730 CA ASP A 49 -7.128 10.083 -0.644 1.00 0.00 C ATOM 731 C ASP A 49 -5.805 9.320 -0.553 1.00 0.00 C ATOM 732 O ASP A 49 -4.746 9.924 -0.385 1.00 0.00 O ATOM 733 CB ASP A 49 -7.371 10.771 0.701 1.00 0.00 C ATOM 734 CG ASP A 49 -8.633 11.633 0.768 1.00 0.00 C ATOM 735 OD1 ASP A 49 -9.038 12.130 -0.304 1.00 0.00 O ATOM 736 OD2 ASP A 49 -9.165 11.774 1.891 1.00 0.00 O ATOM 0 H ASP A 49 -8.684 8.772 -0.143 1.00 0.00 H new ATOM 0 HA ASP A 49 -7.094 10.835 -1.433 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -7.429 10.008 1.477 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -6.509 11.397 0.933 1.00 0.00 H new ATOM 741 N LEU A 50 -5.908 8.004 -0.667 1.00 0.00 N ATOM 742 CA LEU A 50 -4.732 7.153 -0.600 1.00 0.00 C ATOM 743 C LEU A 50 -4.425 6.604 -1.994 1.00 0.00 C ATOM 744 O LEU A 50 -5.127 6.913 -2.956 1.00 0.00 O ATOM 745 CB LEU A 50 -4.918 6.066 0.462 1.00 0.00 C ATOM 746 CG LEU A 50 -5.150 6.558 1.892 1.00 0.00 C ATOM 747 CD1 LEU A 50 -5.391 5.385 2.843 1.00 0.00 C ATOM 748 CD2 LEU A 50 -3.997 7.448 2.360 1.00 0.00 C ATOM 0 H LEU A 50 -6.788 7.506 -0.805 1.00 0.00 H new ATOM 0 HA LEU A 50 -3.862 7.729 -0.285 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -5.764 5.443 0.172 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -4.035 5.427 0.458 1.00 0.00 H new ATOM 0 HG LEU A 50 -6.052 7.170 1.900 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -5.553 5.763 3.853 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -6.270 4.828 2.518 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -4.522 4.727 2.837 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -4.187 7.784 3.379 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -3.066 6.882 2.332 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.915 8.313 1.702 1.00 0.00 H new ATOM 760 N ALA A 51 -3.374 5.799 -2.060 1.00 0.00 N ATOM 761 CA ALA A 51 -2.965 5.205 -3.321 1.00 0.00 C ATOM 762 C ALA A 51 -1.918 4.122 -3.054 1.00 0.00 C ATOM 763 O ALA A 51 -1.114 4.246 -2.132 1.00 0.00 O ATOM 764 CB ALA A 51 -2.447 6.298 -4.257 1.00 0.00 C ATOM 0 H ALA A 51 -2.794 5.545 -1.261 1.00 0.00 H new ATOM 0 HA ALA A 51 -3.813 4.730 -3.814 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -2.140 5.852 -5.203 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -3.238 7.026 -4.439 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.593 6.796 -3.797 1.00 0.00 H new ATOM 770 N LEU A 52 -1.962 3.085 -3.877 1.00 0.00 N ATOM 771 CA LEU A 52 -1.027 1.981 -3.741 1.00 0.00 C ATOM 772 C LEU A 52 0.282 2.337 -4.448 1.00 0.00 C ATOM 773 O LEU A 52 0.319 2.453 -5.672 1.00 0.00 O ATOM 774 CB LEU A 52 -1.659 0.679 -4.236 1.00 0.00 C ATOM 775 CG LEU A 52 -2.753 0.084 -3.347 1.00 0.00 C ATOM 776 CD1 LEU A 52 -3.263 -1.241 -3.917 1.00 0.00 C ATOM 777 CD2 LEU A 52 -2.268 -0.062 -1.903 1.00 0.00 C ATOM 0 H LEU A 52 -2.631 2.986 -4.641 1.00 0.00 H new ATOM 0 HA LEU A 52 -0.787 1.812 -2.691 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -2.079 0.856 -5.226 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -0.870 -0.063 -4.353 1.00 0.00 H new ATOM 0 HG LEU A 52 -3.596 0.775 -3.335 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -4.040 -1.642 -3.266 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -3.674 -1.075 -4.913 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.439 -1.952 -3.979 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -3.065 -0.487 -1.293 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -1.400 -0.720 -1.876 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -1.994 0.917 -1.511 1.00 0.00 H new ATOM 789 N VAL A 53 1.325 2.500 -3.647 1.00 0.00 N ATOM 790 CA VAL A 53 2.633 2.841 -4.182 1.00 0.00 C ATOM 791 C VAL A 53 3.508 1.587 -4.213 1.00 0.00 C ATOM 792 O VAL A 53 3.648 0.898 -3.203 1.00 0.00 O ATOM 793 CB VAL A 53 3.250 3.981 -3.369 1.00 0.00 C ATOM 794 CG1 VAL A 53 4.694 4.242 -3.800 1.00 0.00 C ATOM 795 CG2 VAL A 53 2.406 5.252 -3.479 1.00 0.00 C ATOM 0 H VAL A 53 1.291 2.402 -2.632 1.00 0.00 H new ATOM 0 HA VAL A 53 2.545 3.202 -5.207 1.00 0.00 H new ATOM 0 HB VAL A 53 3.263 3.678 -2.322 1.00 0.00 H new ATOM 0 HG11 VAL A 53 5.109 5.057 -3.207 1.00 0.00 H new ATOM 0 HG12 VAL A 53 5.288 3.341 -3.646 1.00 0.00 H new ATOM 0 HG13 VAL A 53 4.715 4.514 -4.855 1.00 0.00 H new ATOM 0 HG21 VAL A 53 2.867 6.047 -2.892 1.00 0.00 H new ATOM 0 HG22 VAL A 53 2.346 5.560 -4.523 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.403 5.056 -3.101 1.00 0.00 H new ATOM 805 N ALA A 54 4.075 1.328 -5.382 1.00 0.00 N ATOM 806 CA ALA A 54 4.934 0.169 -5.558 1.00 0.00 C ATOM 807 C ALA A 54 6.391 0.627 -5.641 1.00 0.00 C ATOM 808 O ALA A 54 6.676 1.714 -6.142 1.00 0.00 O ATOM 809 CB ALA A 54 4.494 -0.608 -6.801 1.00 0.00 C ATOM 0 H ALA A 54 3.956 1.901 -6.217 1.00 0.00 H new ATOM 0 HA ALA A 54 4.849 -0.505 -4.706 1.00 0.00 H new ATOM 0 HB1 ALA A 54 5.138 -1.477 -6.933 1.00 0.00 H new ATOM 0 HB2 ALA A 54 3.462 -0.936 -6.678 1.00 0.00 H new ATOM 0 HB3 ALA A 54 4.568 0.036 -7.678 1.00 0.00 H new ATOM 815 N ILE A 55 7.275 -0.225 -5.144 1.00 0.00 N ATOM 816 CA ILE A 55 8.696 0.079 -5.156 1.00 0.00 C ATOM 817 C ILE A 55 9.409 -0.875 -6.117 1.00 0.00 C ATOM 818 O ILE A 55 8.978 -2.013 -6.301 1.00 0.00 O ATOM 819 CB ILE A 55 9.261 0.055 -3.734 1.00 0.00 C ATOM 820 CG1 ILE A 55 8.328 0.779 -2.761 1.00 0.00 C ATOM 821 CG2 ILE A 55 10.681 0.625 -3.699 1.00 0.00 C ATOM 822 CD1 ILE A 55 8.182 2.255 -3.137 1.00 0.00 C ATOM 0 H ILE A 55 7.035 -1.126 -4.730 1.00 0.00 H new ATOM 0 HA ILE A 55 8.866 1.090 -5.525 1.00 0.00 H new ATOM 0 HB ILE A 55 9.323 -0.983 -3.408 1.00 0.00 H new ATOM 0 HG12 ILE A 55 7.349 0.300 -2.766 1.00 0.00 H new ATOM 0 HG13 ILE A 55 8.718 0.695 -1.747 1.00 0.00 H new ATOM 0 HG21 ILE A 55 11.059 0.597 -2.677 1.00 0.00 H new ATOM 0 HG22 ILE A 55 11.328 0.029 -4.342 1.00 0.00 H new ATOM 0 HG23 ILE A 55 10.668 1.656 -4.053 1.00 0.00 H new ATOM 0 HD11 ILE A 55 7.514 2.746 -2.430 1.00 0.00 H new ATOM 0 HD12 ILE A 55 9.159 2.736 -3.107 1.00 0.00 H new ATOM 0 HD13 ILE A 55 7.769 2.335 -4.142 1.00 0.00 H new ATOM 834 N THR A 56 10.487 -0.376 -6.704 1.00 0.00 N ATOM 835 CA THR A 56 11.263 -1.170 -7.641 1.00 0.00 C ATOM 836 C THR A 56 12.707 -1.309 -7.154 1.00 0.00 C ATOM 837 O THR A 56 13.057 -0.808 -6.087 1.00 0.00 O ATOM 838 CB THR A 56 11.148 -0.519 -9.021 1.00 0.00 C ATOM 839 OG1 THR A 56 11.850 -1.409 -9.885 1.00 0.00 O ATOM 840 CG2 THR A 56 11.932 0.791 -9.118 1.00 0.00 C ATOM 0 H THR A 56 10.841 0.568 -6.549 1.00 0.00 H new ATOM 0 HA THR A 56 10.877 -2.187 -7.712 1.00 0.00 H new ATOM 0 HB THR A 56 10.098 -0.331 -9.247 1.00 0.00 H new ATOM 0 HG1 THR A 56 11.824 -1.064 -10.802 1.00 0.00 H new ATOM 0 HG21 THR A 56 11.817 1.211 -10.117 1.00 0.00 H new ATOM 0 HG22 THR A 56 11.552 1.498 -8.381 1.00 0.00 H new ATOM 0 HG23 THR A 56 12.987 0.599 -8.925 1.00 0.00 H new ATOM 848 N PHE A 57 13.506 -1.992 -7.961 1.00 0.00 N ATOM 849 CA PHE A 57 14.904 -2.204 -7.625 1.00 0.00 C ATOM 850 C PHE A 57 15.585 -0.885 -7.254 1.00 0.00 C ATOM 851 O PHE A 57 15.074 0.190 -7.564 1.00 0.00 O ATOM 852 CB PHE A 57 15.581 -2.780 -8.870 1.00 0.00 C ATOM 853 CG PHE A 57 15.786 -4.295 -8.822 1.00 0.00 C ATOM 854 CD1 PHE A 57 14.739 -5.114 -8.532 1.00 0.00 C ATOM 855 CD2 PHE A 57 17.014 -4.824 -9.071 1.00 0.00 C ATOM 856 CE1 PHE A 57 14.930 -6.521 -8.487 1.00 0.00 C ATOM 857 CE2 PHE A 57 17.204 -6.230 -9.026 1.00 0.00 C ATOM 858 CZ PHE A 57 16.158 -7.049 -8.736 1.00 0.00 C ATOM 0 H PHE A 57 13.212 -2.405 -8.846 1.00 0.00 H new ATOM 0 HA PHE A 57 14.983 -2.876 -6.771 1.00 0.00 H new ATOM 0 HB2 PHE A 57 14.980 -2.533 -9.745 1.00 0.00 H new ATOM 0 HB3 PHE A 57 16.549 -2.297 -9.001 1.00 0.00 H new ATOM 0 HD1 PHE A 57 13.763 -4.695 -8.336 1.00 0.00 H new ATOM 0 HD2 PHE A 57 17.845 -4.174 -9.303 1.00 0.00 H new ATOM 0 HE1 PHE A 57 14.100 -7.171 -8.255 1.00 0.00 H new ATOM 0 HE2 PHE A 57 18.180 -6.649 -9.222 1.00 0.00 H new ATOM 0 HZ PHE A 57 16.303 -8.119 -8.703 1.00 0.00 H new ATOM 868 N SER A 58 16.727 -1.010 -6.594 1.00 0.00 N ATOM 869 CA SER A 58 17.483 0.159 -6.177 1.00 0.00 C ATOM 870 C SER A 58 16.751 0.877 -5.042 1.00 0.00 C ATOM 871 O SER A 58 17.249 0.939 -3.919 1.00 0.00 O ATOM 872 CB SER A 58 17.711 1.114 -7.350 1.00 0.00 C ATOM 873 OG SER A 58 19.077 1.146 -7.754 1.00 0.00 O ATOM 0 H SER A 58 17.147 -1.903 -6.338 1.00 0.00 H new ATOM 0 HA SER A 58 18.458 -0.173 -5.819 1.00 0.00 H new ATOM 0 HB2 SER A 58 17.091 0.808 -8.193 1.00 0.00 H new ATOM 0 HB3 SER A 58 17.393 2.118 -7.068 1.00 0.00 H new ATOM 0 HG SER A 58 19.181 1.766 -8.506 1.00 0.00 H new ATOM 879 N GLY A 59 15.580 1.402 -5.374 1.00 0.00 N ATOM 880 CA GLY A 59 14.775 2.114 -4.396 1.00 0.00 C ATOM 881 C GLY A 59 14.019 3.273 -5.048 1.00 0.00 C ATOM 882 O GLY A 59 14.362 4.436 -4.844 1.00 0.00 O ATOM 0 H GLY A 59 15.170 1.348 -6.306 1.00 0.00 H new ATOM 0 HA2 GLY A 59 14.066 1.427 -3.934 1.00 0.00 H new ATOM 0 HA3 GLY A 59 15.415 2.495 -3.600 1.00 0.00 H new ATOM 886 N GLU A 60 13.003 2.915 -5.821 1.00 0.00 N ATOM 887 CA GLU A 60 12.196 3.911 -6.504 1.00 0.00 C ATOM 888 C GLU A 60 10.711 3.554 -6.398 1.00 0.00 C ATOM 889 O GLU A 60 10.264 2.567 -6.979 1.00 0.00 O ATOM 890 CB GLU A 60 12.622 4.054 -7.966 1.00 0.00 C ATOM 891 CG GLU A 60 13.814 5.003 -8.099 1.00 0.00 C ATOM 892 CD GLU A 60 14.113 5.306 -9.569 1.00 0.00 C ATOM 893 OE1 GLU A 60 14.400 4.334 -10.302 1.00 0.00 O ATOM 894 OE2 GLU A 60 14.046 6.502 -9.928 1.00 0.00 O ATOM 0 H GLU A 60 12.721 1.949 -5.989 1.00 0.00 H new ATOM 0 HA GLU A 60 12.354 4.874 -6.018 1.00 0.00 H new ATOM 0 HB2 GLU A 60 12.884 3.076 -8.369 1.00 0.00 H new ATOM 0 HB3 GLU A 60 11.786 4.429 -8.557 1.00 0.00 H new ATOM 0 HG2 GLU A 60 13.605 5.932 -7.568 1.00 0.00 H new ATOM 0 HG3 GLU A 60 14.692 4.558 -7.630 1.00 0.00 H new ATOM 901 N LYS A 61 9.990 4.378 -5.652 1.00 0.00 N ATOM 902 CA LYS A 61 8.565 4.161 -5.462 1.00 0.00 C ATOM 903 C LYS A 61 7.808 4.678 -6.688 1.00 0.00 C ATOM 904 O LYS A 61 8.279 5.580 -7.378 1.00 0.00 O ATOM 905 CB LYS A 61 8.100 4.783 -4.144 1.00 0.00 C ATOM 906 CG LYS A 61 7.943 6.299 -4.279 1.00 0.00 C ATOM 907 CD LYS A 61 8.112 6.990 -2.924 1.00 0.00 C ATOM 908 CE LYS A 61 9.579 7.339 -2.666 1.00 0.00 C ATOM 909 NZ LYS A 61 9.683 8.516 -1.774 1.00 0.00 N ATOM 0 H LYS A 61 10.365 5.196 -5.172 1.00 0.00 H new ATOM 0 HA LYS A 61 8.348 3.096 -5.379 1.00 0.00 H new ATOM 0 HB2 LYS A 61 7.150 4.341 -3.844 1.00 0.00 H new ATOM 0 HB3 LYS A 61 8.820 4.557 -3.357 1.00 0.00 H new ATOM 0 HG2 LYS A 61 8.682 6.684 -4.982 1.00 0.00 H new ATOM 0 HG3 LYS A 61 6.961 6.531 -4.690 1.00 0.00 H new ATOM 0 HD2 LYS A 61 7.508 7.897 -2.897 1.00 0.00 H new ATOM 0 HD3 LYS A 61 7.745 6.339 -2.131 1.00 0.00 H new ATOM 0 HE2 LYS A 61 10.088 6.487 -2.215 1.00 0.00 H new ATOM 0 HE3 LYS A 61 10.081 7.546 -3.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 10.685 8.739 -1.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 9.215 9.331 -2.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 9.222 8.305 -0.866 1.00 0.00 H new ATOM 923 N HIS A 62 6.647 4.083 -6.920 1.00 0.00 N ATOM 924 CA HIS A 62 5.820 4.472 -8.050 1.00 0.00 C ATOM 925 C HIS A 62 4.353 4.522 -7.618 1.00 0.00 C ATOM 926 O HIS A 62 3.964 3.869 -6.652 1.00 0.00 O ATOM 927 CB HIS A 62 6.056 3.542 -9.241 1.00 0.00 C ATOM 928 CG HIS A 62 6.243 4.262 -10.555 1.00 0.00 C ATOM 929 ND1 HIS A 62 7.154 5.290 -10.724 1.00 0.00 N ATOM 930 CD2 HIS A 62 5.627 4.092 -11.760 1.00 0.00 C ATOM 931 CE1 HIS A 62 7.081 5.713 -11.977 1.00 0.00 C ATOM 932 NE2 HIS A 62 6.134 4.969 -12.618 1.00 0.00 N ATOM 0 H HIS A 62 6.260 3.335 -6.345 1.00 0.00 H new ATOM 0 HA HIS A 62 6.099 5.472 -8.383 1.00 0.00 H new ATOM 0 HB2 HIS A 62 6.938 2.933 -9.044 1.00 0.00 H new ATOM 0 HB3 HIS A 62 5.210 2.860 -9.329 1.00 0.00 H new ATOM 0 HD2 HIS A 62 4.857 3.367 -11.979 1.00 0.00 H new ATOM 0 HE1 HIS A 62 7.668 6.507 -12.414 1.00 0.00 H new ATOM 0 HE2 HIS A 62 5.861 5.070 -13.595 1.00 0.00 H new ATOM 940 N GLU A 63 3.579 5.304 -8.357 1.00 0.00 N ATOM 941 CA GLU A 63 2.163 5.448 -8.063 1.00 0.00 C ATOM 942 C GLU A 63 1.323 4.948 -9.239 1.00 0.00 C ATOM 943 O GLU A 63 1.366 5.523 -10.326 1.00 0.00 O ATOM 944 CB GLU A 63 1.819 6.899 -7.721 1.00 0.00 C ATOM 945 CG GLU A 63 0.477 6.987 -6.992 1.00 0.00 C ATOM 946 CD GLU A 63 -0.358 8.156 -7.520 1.00 0.00 C ATOM 947 OE1 GLU A 63 0.263 9.175 -7.890 1.00 0.00 O ATOM 948 OE2 GLU A 63 -1.598 8.003 -7.541 1.00 0.00 O ATOM 0 H GLU A 63 3.906 5.844 -9.158 1.00 0.00 H new ATOM 0 HA GLU A 63 1.929 4.838 -7.190 1.00 0.00 H new ATOM 0 HB2 GLU A 63 2.604 7.325 -7.097 1.00 0.00 H new ATOM 0 HB3 GLU A 63 1.780 7.492 -8.635 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -0.073 6.055 -7.121 1.00 0.00 H new ATOM 0 HG3 GLU A 63 0.647 7.111 -5.923 1.00 0.00 H new ATOM 955 N LEU A 64 0.579 3.882 -8.983 1.00 0.00 N ATOM 956 CA LEU A 64 -0.270 3.298 -10.008 1.00 0.00 C ATOM 957 C LEU A 64 -1.688 3.855 -9.868 1.00 0.00 C ATOM 958 O LEU A 64 -1.888 4.908 -9.266 1.00 0.00 O ATOM 959 CB LEU A 64 -0.201 1.770 -9.954 1.00 0.00 C ATOM 960 CG LEU A 64 1.043 1.178 -9.287 1.00 0.00 C ATOM 961 CD1 LEU A 64 0.803 0.939 -7.795 1.00 0.00 C ATOM 962 CD2 LEU A 64 1.497 -0.093 -10.006 1.00 0.00 C ATOM 0 H LEU A 64 0.546 3.407 -8.081 1.00 0.00 H new ATOM 0 HA LEU A 64 0.085 3.575 -11.001 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -1.081 1.405 -9.425 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -0.260 1.387 -10.973 1.00 0.00 H new ATOM 0 HG LEU A 64 1.854 1.902 -9.370 1.00 0.00 H new ATOM 0 HD11 LEU A 64 1.702 0.518 -7.345 1.00 0.00 H new ATOM 0 HD12 LEU A 64 0.562 1.885 -7.309 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -0.027 0.244 -7.667 1.00 0.00 H new ATOM 0 HD21 LEU A 64 2.382 -0.494 -9.512 1.00 0.00 H new ATOM 0 HD22 LEU A 64 0.698 -0.834 -9.975 1.00 0.00 H new ATOM 0 HD23 LEU A 64 1.735 0.141 -11.044 1.00 0.00 H new ATOM 974 N GLN A 65 -2.636 3.122 -10.433 1.00 0.00 N ATOM 975 CA GLN A 65 -4.029 3.529 -10.379 1.00 0.00 C ATOM 976 C GLN A 65 -4.824 2.581 -9.478 1.00 0.00 C ATOM 977 O GLN A 65 -4.364 1.485 -9.164 1.00 0.00 O ATOM 978 CB GLN A 65 -4.638 3.591 -11.781 1.00 0.00 C ATOM 979 CG GLN A 65 -4.360 4.944 -12.440 1.00 0.00 C ATOM 980 CD GLN A 65 -5.660 5.603 -12.907 1.00 0.00 C ATOM 981 OE1 GLN A 65 -6.157 5.352 -13.993 1.00 0.00 O ATOM 982 NE2 GLN A 65 -6.180 6.456 -12.030 1.00 0.00 N ATOM 0 H GLN A 65 -2.466 2.248 -10.931 1.00 0.00 H new ATOM 0 HA GLN A 65 -4.078 4.531 -9.953 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -4.226 2.791 -12.396 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -5.714 3.425 -11.722 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -3.849 5.599 -11.734 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -3.691 4.808 -13.290 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -5.712 6.620 -11.139 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -7.047 6.947 -12.248 1.00 0.00 H new ATOM 991 N PRO A 66 -6.036 3.051 -9.077 1.00 0.00 N ATOM 992 CA PRO A 66 -6.900 2.258 -8.219 1.00 0.00 C ATOM 993 C PRO A 66 -7.560 1.123 -9.004 1.00 0.00 C ATOM 994 O PRO A 66 -8.312 0.329 -8.440 1.00 0.00 O ATOM 995 CB PRO A 66 -7.903 3.247 -7.648 1.00 0.00 C ATOM 996 CG PRO A 66 -7.856 4.462 -8.561 1.00 0.00 C ATOM 997 CD PRO A 66 -6.615 4.344 -9.430 1.00 0.00 C ATOM 0 HA PRO A 66 -6.354 1.758 -7.419 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -8.904 2.817 -7.622 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -7.645 3.518 -6.624 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -8.752 4.509 -9.180 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -7.825 5.380 -7.974 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -6.868 4.389 -10.489 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -5.916 5.157 -9.235 1.00 0.00 H new ATOM 1005 N ASN A 67 -7.256 1.082 -10.293 1.00 0.00 N ATOM 1006 CA ASN A 67 -7.811 0.058 -11.161 1.00 0.00 C ATOM 1007 C ASN A 67 -6.694 -0.890 -11.603 1.00 0.00 C ATOM 1008 O ASN A 67 -6.958 -1.925 -12.213 1.00 0.00 O ATOM 1009 CB ASN A 67 -8.431 0.675 -12.416 1.00 0.00 C ATOM 1010 CG ASN A 67 -7.744 1.994 -12.775 1.00 0.00 C ATOM 1011 OD1 ASN A 67 -8.173 3.071 -12.396 1.00 0.00 O ATOM 1012 ND2 ASN A 67 -6.655 1.850 -13.525 1.00 0.00 N ATOM 0 H ASN A 67 -6.632 1.742 -10.757 1.00 0.00 H new ATOM 0 HA ASN A 67 -8.581 -0.475 -10.603 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -8.345 -0.023 -13.249 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -9.495 0.847 -12.253 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -6.125 2.671 -13.817 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -6.350 0.919 -13.808 1.00 0.00 H new ATOM 1019 N ASP A 68 -5.469 -0.502 -11.278 1.00 0.00 N ATOM 1020 CA ASP A 68 -4.311 -1.304 -11.634 1.00 0.00 C ATOM 1021 C ASP A 68 -4.304 -2.583 -10.795 1.00 0.00 C ATOM 1022 O ASP A 68 -4.415 -2.527 -9.571 1.00 0.00 O ATOM 1023 CB ASP A 68 -3.011 -0.547 -11.355 1.00 0.00 C ATOM 1024 CG ASP A 68 -2.104 -0.348 -12.571 1.00 0.00 C ATOM 1025 OD1 ASP A 68 -1.711 -1.378 -13.160 1.00 0.00 O ATOM 1026 OD2 ASP A 68 -1.826 0.830 -12.885 1.00 0.00 O ATOM 0 H ASP A 68 -5.254 0.357 -10.772 1.00 0.00 H new ATOM 0 HA ASP A 68 -4.373 -1.534 -12.698 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -3.259 0.431 -10.942 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -2.453 -1.084 -10.588 1.00 0.00 H new ATOM 1031 N LEU A 69 -4.172 -3.705 -11.485 1.00 0.00 N ATOM 1032 CA LEU A 69 -4.149 -4.996 -10.819 1.00 0.00 C ATOM 1033 C LEU A 69 -3.022 -5.011 -9.784 1.00 0.00 C ATOM 1034 O LEU A 69 -1.977 -4.396 -9.991 1.00 0.00 O ATOM 1035 CB LEU A 69 -4.057 -6.128 -11.845 1.00 0.00 C ATOM 1036 CG LEU A 69 -5.373 -6.539 -12.509 1.00 0.00 C ATOM 1037 CD1 LEU A 69 -5.143 -7.641 -13.545 1.00 0.00 C ATOM 1038 CD2 LEU A 69 -6.412 -6.945 -11.462 1.00 0.00 C ATOM 0 H LEU A 69 -4.080 -3.747 -12.500 1.00 0.00 H new ATOM 0 HA LEU A 69 -5.081 -5.162 -10.279 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -3.357 -5.829 -12.625 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -3.632 -7.003 -11.354 1.00 0.00 H new ATOM 0 HG LEU A 69 -5.772 -5.675 -13.040 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -6.094 -7.915 -14.002 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -4.461 -7.280 -14.315 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -4.710 -8.514 -13.057 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -7.338 -7.232 -11.960 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -6.035 -7.788 -10.883 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -6.605 -6.104 -10.796 1.00 0.00 H new ATOM 1050 N VAL A 70 -3.272 -5.720 -8.694 1.00 0.00 N ATOM 1051 CA VAL A 70 -2.291 -5.823 -7.627 1.00 0.00 C ATOM 1052 C VAL A 70 -1.687 -7.229 -7.629 1.00 0.00 C ATOM 1053 O VAL A 70 -1.368 -7.773 -6.573 1.00 0.00 O ATOM 1054 CB VAL A 70 -2.932 -5.450 -6.288 1.00 0.00 C ATOM 1055 CG1 VAL A 70 -2.443 -4.082 -5.808 1.00 0.00 C ATOM 1056 CG2 VAL A 70 -4.459 -5.485 -6.383 1.00 0.00 C ATOM 0 H VAL A 70 -4.140 -6.229 -8.526 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.475 -5.118 -7.789 1.00 0.00 H new ATOM 0 HB VAL A 70 -2.625 -6.192 -5.551 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -2.914 -3.841 -4.855 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -1.361 -4.106 -5.682 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -2.706 -3.323 -6.544 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -4.890 -5.216 -5.419 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -4.793 -4.775 -7.140 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -4.784 -6.489 -6.658 1.00 0.00 H new ATOM 1066 N ILE A 71 -1.547 -7.776 -8.828 1.00 0.00 N ATOM 1067 CA ILE A 71 -0.987 -9.108 -8.982 1.00 0.00 C ATOM 1068 C ILE A 71 -0.394 -9.248 -10.385 1.00 0.00 C ATOM 1069 O ILE A 71 -0.692 -10.208 -11.095 1.00 0.00 O ATOM 1070 CB ILE A 71 -2.034 -10.172 -8.647 1.00 0.00 C ATOM 1071 CG1 ILE A 71 -1.515 -11.574 -8.973 1.00 0.00 C ATOM 1072 CG2 ILE A 71 -3.361 -9.874 -9.347 1.00 0.00 C ATOM 1073 CD1 ILE A 71 -1.583 -12.483 -7.745 1.00 0.00 C ATOM 0 H ILE A 71 -1.812 -7.321 -9.702 1.00 0.00 H new ATOM 0 HA ILE A 71 -0.172 -9.263 -8.275 1.00 0.00 H new ATOM 0 HB ILE A 71 -2.222 -10.141 -7.574 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -2.105 -12.005 -9.782 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -0.486 -11.512 -9.327 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -4.088 -10.645 -9.092 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -3.734 -8.903 -9.022 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -3.208 -9.862 -10.426 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.208 -13.473 -8.004 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -0.973 -12.062 -6.946 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -2.617 -12.563 -7.408 1.00 0.00 H new ATOM 1191 N ARG A 80 6.880 -5.451 -2.525 1.00 0.00 N ATOM 1192 CA ARG A 80 5.537 -5.351 -1.981 1.00 0.00 C ATOM 1193 C ARG A 80 4.861 -4.068 -2.467 1.00 0.00 C ATOM 1194 O ARG A 80 5.318 -3.446 -3.425 1.00 0.00 O ATOM 1195 CB ARG A 80 5.560 -5.358 -0.451 1.00 0.00 C ATOM 1196 CG ARG A 80 6.430 -6.500 0.079 1.00 0.00 C ATOM 1197 CD ARG A 80 5.590 -7.510 0.864 1.00 0.00 C ATOM 1198 NE ARG A 80 5.518 -8.791 0.125 1.00 0.00 N ATOM 1199 CZ ARG A 80 4.666 -9.030 -0.882 1.00 0.00 C ATOM 1200 NH1 ARG A 80 3.810 -8.077 -1.276 1.00 0.00 N ATOM 1201 NH2 ARG A 80 4.671 -10.221 -1.495 1.00 0.00 N ATOM 0 HA ARG A 80 4.974 -6.217 -2.329 1.00 0.00 H new ATOM 0 HB2 ARG A 80 5.942 -4.405 -0.085 1.00 0.00 H new ATOM 0 HB3 ARG A 80 4.544 -5.462 -0.069 1.00 0.00 H new ATOM 0 HG2 ARG A 80 6.925 -7.001 -0.753 1.00 0.00 H new ATOM 0 HG3 ARG A 80 7.214 -6.097 0.720 1.00 0.00 H new ATOM 0 HD2 ARG A 80 6.028 -7.673 1.849 1.00 0.00 H new ATOM 0 HD3 ARG A 80 4.586 -7.115 1.023 1.00 0.00 H new ATOM 0 HE ARG A 80 6.156 -9.538 0.399 1.00 0.00 H new ATOM 0 HH11 ARG A 80 3.807 -7.170 -0.810 1.00 0.00 H new ATOM 0 HH12 ARG A 80 3.162 -8.259 -2.042 1.00 0.00 H new ATOM 0 HH21 ARG A 80 5.323 -10.946 -1.196 1.00 0.00 H new ATOM 0 HH22 ARG A 80 4.023 -10.403 -2.261 1.00 0.00 H new ATOM 1215 N ILE A 81 3.782 -3.710 -1.786 1.00 0.00 N ATOM 1216 CA ILE A 81 3.038 -2.512 -2.137 1.00 0.00 C ATOM 1217 C ILE A 81 2.939 -1.602 -0.912 1.00 0.00 C ATOM 1218 O ILE A 81 2.942 -2.078 0.222 1.00 0.00 O ATOM 1219 CB ILE A 81 1.682 -2.881 -2.741 1.00 0.00 C ATOM 1220 CG1 ILE A 81 1.855 -3.592 -4.085 1.00 0.00 C ATOM 1221 CG2 ILE A 81 0.779 -1.651 -2.855 1.00 0.00 C ATOM 1222 CD1 ILE A 81 2.244 -2.600 -5.184 1.00 0.00 C ATOM 0 H ILE A 81 3.405 -4.229 -0.993 1.00 0.00 H new ATOM 0 HA ILE A 81 3.562 -1.950 -2.910 1.00 0.00 H new ATOM 0 HB ILE A 81 1.188 -3.582 -2.068 1.00 0.00 H new ATOM 0 HG12 ILE A 81 2.622 -4.362 -3.997 1.00 0.00 H new ATOM 0 HG13 ILE A 81 0.927 -4.095 -4.356 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -0.179 -1.941 -3.287 1.00 0.00 H new ATOM 0 HG22 ILE A 81 0.616 -1.226 -1.864 1.00 0.00 H new ATOM 0 HG23 ILE A 81 1.255 -0.908 -3.495 1.00 0.00 H new ATOM 0 HD11 ILE A 81 2.361 -3.131 -6.129 1.00 0.00 H new ATOM 0 HD12 ILE A 81 1.464 -1.845 -5.286 1.00 0.00 H new ATOM 0 HD13 ILE A 81 3.185 -2.116 -4.921 1.00 0.00 H new ATOM 1234 N TYR A 82 2.853 -0.307 -1.182 1.00 0.00 N ATOM 1235 CA TYR A 82 2.752 0.674 -0.115 1.00 0.00 C ATOM 1236 C TYR A 82 1.499 1.537 -0.280 1.00 0.00 C ATOM 1237 O TYR A 82 0.761 1.386 -1.252 1.00 0.00 O ATOM 1238 CB TYR A 82 3.990 1.564 -0.243 1.00 0.00 C ATOM 1239 CG TYR A 82 5.306 0.848 0.064 1.00 0.00 C ATOM 1240 CD1 TYR A 82 5.906 0.064 -0.900 1.00 0.00 C ATOM 1241 CD2 TYR A 82 5.893 0.985 1.305 1.00 0.00 C ATOM 1242 CE1 TYR A 82 7.145 -0.611 -0.611 1.00 0.00 C ATOM 1243 CE2 TYR A 82 7.132 0.311 1.594 1.00 0.00 C ATOM 1244 CZ TYR A 82 7.697 -0.454 0.622 1.00 0.00 C ATOM 1245 OH TYR A 82 8.867 -1.091 0.895 1.00 0.00 O ATOM 0 H TYR A 82 2.851 0.085 -2.124 1.00 0.00 H new ATOM 0 HA TYR A 82 2.689 0.181 0.855 1.00 0.00 H new ATOM 0 HB2 TYR A 82 4.034 1.964 -1.256 1.00 0.00 H new ATOM 0 HB3 TYR A 82 3.885 2.414 0.431 1.00 0.00 H new ATOM 0 HD1 TYR A 82 5.446 -0.043 -1.871 1.00 0.00 H new ATOM 0 HD2 TYR A 82 5.423 1.598 2.060 1.00 0.00 H new ATOM 0 HE1 TYR A 82 7.625 -1.228 -1.356 1.00 0.00 H new ATOM 0 HE2 TYR A 82 7.602 0.411 2.561 1.00 0.00 H new ATOM 0 HH TYR A 82 9.144 -0.887 1.813 1.00 0.00 H new ATOM 1255 N VAL A 83 1.298 2.422 0.685 1.00 0.00 N ATOM 1256 CA VAL A 83 0.147 3.309 0.659 1.00 0.00 C ATOM 1257 C VAL A 83 0.570 4.700 1.134 1.00 0.00 C ATOM 1258 O VAL A 83 1.224 4.835 2.167 1.00 0.00 O ATOM 1259 CB VAL A 83 -0.992 2.713 1.490 1.00 0.00 C ATOM 1260 CG1 VAL A 83 -0.446 1.949 2.698 1.00 0.00 C ATOM 1261 CG2 VAL A 83 -1.977 3.799 1.927 1.00 0.00 C ATOM 0 H VAL A 83 1.913 2.544 1.490 1.00 0.00 H new ATOM 0 HA VAL A 83 -0.232 3.414 -0.358 1.00 0.00 H new ATOM 0 HB VAL A 83 -1.532 2.005 0.861 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -1.275 1.535 3.272 1.00 0.00 H new ATOM 0 HG12 VAL A 83 0.198 1.139 2.355 1.00 0.00 H new ATOM 0 HG13 VAL A 83 0.129 2.628 3.328 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -2.777 3.349 2.516 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -1.455 4.542 2.531 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -2.402 4.281 1.046 1.00 0.00 H new ATOM 1271 N TYR A 84 0.178 5.700 0.358 1.00 0.00 N ATOM 1272 CA TYR A 84 0.508 7.076 0.688 1.00 0.00 C ATOM 1273 C TYR A 84 -0.750 7.945 0.740 1.00 0.00 C ATOM 1274 O TYR A 84 -1.732 7.664 0.053 1.00 0.00 O ATOM 1275 CB TYR A 84 1.411 7.575 -0.443 1.00 0.00 C ATOM 1276 CG TYR A 84 2.829 7.004 -0.404 1.00 0.00 C ATOM 1277 CD1 TYR A 84 3.028 5.642 -0.507 1.00 0.00 C ATOM 1278 CD2 TYR A 84 3.911 7.851 -0.267 1.00 0.00 C ATOM 1279 CE1 TYR A 84 4.363 5.104 -0.470 1.00 0.00 C ATOM 1280 CE2 TYR A 84 5.246 7.313 -0.231 1.00 0.00 C ATOM 1281 CZ TYR A 84 5.407 5.966 -0.334 1.00 0.00 C ATOM 1282 OH TYR A 84 6.668 5.459 -0.300 1.00 0.00 O ATOM 0 H TYR A 84 -0.365 5.585 -0.498 1.00 0.00 H new ATOM 0 HA TYR A 84 0.989 7.132 1.664 1.00 0.00 H new ATOM 0 HB2 TYR A 84 0.954 7.320 -1.399 1.00 0.00 H new ATOM 0 HB3 TYR A 84 1.467 8.663 -0.397 1.00 0.00 H new ATOM 0 HD1 TYR A 84 2.182 4.980 -0.615 1.00 0.00 H new ATOM 0 HD2 TYR A 84 3.756 8.917 -0.187 1.00 0.00 H new ATOM 0 HE1 TYR A 84 4.532 4.040 -0.548 1.00 0.00 H new ATOM 0 HE2 TYR A 84 6.101 7.964 -0.125 1.00 0.00 H new ATOM 0 HH TYR A 84 6.704 4.636 -0.830 1.00 0.00 H new ATOM 1292 N ARG A 85 -0.681 8.982 1.561 1.00 0.00 N ATOM 1293 CA ARG A 85 -1.803 9.893 1.712 1.00 0.00 C ATOM 1294 C ARG A 85 -1.662 11.073 0.748 1.00 0.00 C ATOM 1295 O ARG A 85 -0.586 11.655 0.627 1.00 0.00 O ATOM 1296 CB ARG A 85 -1.893 10.423 3.145 1.00 0.00 C ATOM 1297 CG ARG A 85 -0.572 11.062 3.578 1.00 0.00 C ATOM 1298 CD ARG A 85 -0.786 12.506 4.035 1.00 0.00 C ATOM 1299 NE ARG A 85 0.320 12.924 4.926 1.00 0.00 N ATOM 1300 CZ ARG A 85 0.361 14.096 5.573 1.00 0.00 C ATOM 1301 NH1 ARG A 85 -0.641 14.975 5.432 1.00 0.00 N ATOM 1302 NH2 ARG A 85 1.405 14.390 6.360 1.00 0.00 N ATOM 0 H ARG A 85 0.135 9.212 2.129 1.00 0.00 H new ATOM 0 HA ARG A 85 -2.713 9.339 1.483 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -2.696 11.157 3.215 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -2.146 9.608 3.823 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -0.132 10.482 4.389 1.00 0.00 H new ATOM 0 HG3 ARG A 85 0.136 11.040 2.749 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -0.836 13.166 3.169 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -1.738 12.593 4.558 1.00 0.00 H new ATOM 0 HE ARG A 85 1.100 12.279 5.055 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -1.435 14.751 4.832 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -0.610 15.867 5.925 1.00 0.00 H new ATOM 0 HH21 ARG A 85 2.168 13.721 6.466 1.00 0.00 H new ATOM 0 HH22 ARG A 85 1.437 15.282 6.853 1.00 0.00 H new ATOM 1316 N LYS A 86 -2.766 11.390 0.087 1.00 0.00 N ATOM 1317 CA LYS A 86 -2.779 12.489 -0.863 1.00 0.00 C ATOM 1318 C LYS A 86 -3.047 13.798 -0.118 1.00 0.00 C ATOM 1319 O LYS A 86 -3.840 13.831 0.822 1.00 0.00 O ATOM 1320 CB LYS A 86 -3.773 12.210 -1.992 1.00 0.00 C ATOM 1321 CG LYS A 86 -3.284 11.066 -2.883 1.00 0.00 C ATOM 1322 CD LYS A 86 -4.187 10.901 -4.107 1.00 0.00 C ATOM 1323 CE LYS A 86 -3.558 9.949 -5.127 1.00 0.00 C ATOM 1324 NZ LYS A 86 -3.764 10.454 -6.503 1.00 0.00 N ATOM 0 H LYS A 86 -3.657 10.905 0.191 1.00 0.00 H new ATOM 0 HA LYS A 86 -1.806 12.588 -1.344 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -4.746 11.957 -1.571 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -3.910 13.110 -2.592 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -2.261 11.262 -3.205 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -3.266 10.138 -2.312 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -5.159 10.518 -3.797 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -4.360 11.873 -4.569 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -2.491 9.845 -4.927 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -3.999 8.957 -5.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -3.331 9.796 -7.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -4.783 10.530 -6.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -3.323 11.391 -6.599 1.00 0.00 H new ATOM 1424 N ASN A 93 4.184 11.154 0.219 1.00 0.00 N ATOM 1425 CA ASN A 93 5.290 11.034 1.153 1.00 0.00 C ATOM 1426 C ASN A 93 5.027 9.861 2.100 1.00 0.00 C ATOM 1427 O ASN A 93 3.876 9.518 2.365 1.00 0.00 O ATOM 1428 CB ASN A 93 5.437 12.300 1.999 1.00 0.00 C ATOM 1429 CG ASN A 93 6.364 13.310 1.320 1.00 0.00 C ATOM 1430 OD1 ASN A 93 7.578 13.240 1.419 1.00 0.00 O ATOM 1431 ND2 ASN A 93 5.727 14.249 0.626 1.00 0.00 N ATOM 0 HA ASN A 93 6.202 10.877 0.577 1.00 0.00 H new ATOM 0 HB2 ASN A 93 4.457 12.751 2.159 1.00 0.00 H new ATOM 0 HB3 ASN A 93 5.833 12.041 2.981 1.00 0.00 H new ATOM 0 HD21 ASN A 93 6.258 14.969 0.135 1.00 0.00 H new ATOM 0 HD22 ASN A 93 4.708 14.249 0.584 1.00 0.00 H new ATOM 1438 N PRO A 94 6.143 9.262 2.596 1.00 0.00 N ATOM 1439 CA PRO A 94 6.044 8.135 3.508 1.00 0.00 C ATOM 1440 C PRO A 94 5.627 8.595 4.906 1.00 0.00 C ATOM 1441 O PRO A 94 6.322 9.391 5.535 1.00 0.00 O ATOM 1442 CB PRO A 94 7.419 7.487 3.481 1.00 0.00 C ATOM 1443 CG PRO A 94 8.365 8.537 2.923 1.00 0.00 C ATOM 1444 CD PRO A 94 7.522 9.641 2.305 1.00 0.00 C ATOM 0 HA PRO A 94 5.275 7.421 3.213 1.00 0.00 H new ATOM 0 HB2 PRO A 94 7.725 7.178 4.481 1.00 0.00 H new ATOM 0 HB3 PRO A 94 7.417 6.593 2.858 1.00 0.00 H new ATOM 0 HG2 PRO A 94 9.000 8.938 3.713 1.00 0.00 H new ATOM 0 HG3 PRO A 94 9.026 8.097 2.176 1.00 0.00 H new ATOM 0 HD2 PRO A 94 7.765 10.613 2.735 1.00 0.00 H new ATOM 0 HD3 PRO A 94 7.694 9.716 1.231 1.00 0.00 H new ATOM 1452 N PHE A 95 4.493 8.073 5.351 1.00 0.00 N ATOM 1453 CA PHE A 95 3.975 8.420 6.664 1.00 0.00 C ATOM 1454 C PHE A 95 5.101 8.489 7.697 1.00 0.00 C ATOM 1455 O PHE A 95 5.369 9.549 8.260 1.00 0.00 O ATOM 1456 CB PHE A 95 2.996 7.314 7.065 1.00 0.00 C ATOM 1457 CG PHE A 95 1.943 7.000 6.001 1.00 0.00 C ATOM 1458 CD1 PHE A 95 1.207 8.005 5.455 1.00 0.00 C ATOM 1459 CD2 PHE A 95 1.741 5.716 5.602 1.00 0.00 C ATOM 1460 CE1 PHE A 95 0.229 7.713 4.468 1.00 0.00 C ATOM 1461 CE2 PHE A 95 0.763 5.424 4.615 1.00 0.00 C ATOM 1462 CZ PHE A 95 0.028 6.429 4.069 1.00 0.00 C ATOM 0 H PHE A 95 3.919 7.413 4.826 1.00 0.00 H new ATOM 0 HA PHE A 95 3.492 9.397 6.628 1.00 0.00 H new ATOM 0 HB2 PHE A 95 3.559 6.406 7.284 1.00 0.00 H new ATOM 0 HB3 PHE A 95 2.491 7.606 7.986 1.00 0.00 H new ATOM 0 HD1 PHE A 95 1.366 9.025 5.772 1.00 0.00 H new ATOM 0 HD2 PHE A 95 2.325 4.918 6.036 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -0.355 8.511 4.034 1.00 0.00 H new ATOM 0 HE2 PHE A 95 0.603 4.404 4.298 1.00 0.00 H new ATOM 0 HZ PHE A 95 -0.716 6.207 3.318 1.00 0.00 H new