USER MOD reduce.3.24.130724 H: found=0, std=0, add=598, rem=0, adj=17 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 65 GLN : amide:sc= 0.498 K(o=0.27,f=-0.64) USER MOD Set 1.2: A 67 ASN :FLIP amide:sc= -0.227 F(o=-0.64,f=0.27) USER MOD Set 2.1: A 17 THR OG1 : rot -137:sc= -0.947! USER MOD Set 2.2: A 20 SER OG : rot 57:sc= 0.867! USER MOD Single : A 12 CYS SG : rot 80:sc= -1.85! USER MOD Single : A 13 HIS : no HD1:sc= -0.409 X(o=-0.41,f=0.075) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 HIS : no HD1:sc= -0.144 X(o=-0.14,f=-0.021) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot -11:sc= 0.871 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 -53:sc= 0.741 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -0.492 X(o=-0.49,f=-0.069) USER MOD Single : A 37 LYS NZ :NH3+ -103:sc= 0.173 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ -116:sc= -0.0358 (180deg=-4.64!) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=-0.04) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.325 USER MOD Single : A 58 SER OG : rot 180:sc= -0.0618 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 HIS : no HE2:sc= 0.135 K(o=0.14,f=-0.58) USER MOD Single : A 82 TYR OH : rot -117:sc= -0.0879 USER MOD Single : A 84 TYR OH : rot -15:sc= -1.05 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 ASN : amide:sc= -0.0637 X(o=-0.064,f=0) USER MOD ----------------------------------------------------------------- ATOM 96 N ILE A 10 -5.791 -15.544 -1.970 1.00 0.00 N ATOM 97 CA ILE A 10 -4.464 -14.965 -1.856 1.00 0.00 C ATOM 98 C ILE A 10 -4.535 -13.706 -0.988 1.00 0.00 C ATOM 99 O ILE A 10 -5.612 -13.317 -0.540 1.00 0.00 O ATOM 100 CB ILE A 10 -3.864 -14.723 -3.242 1.00 0.00 C ATOM 101 CG1 ILE A 10 -2.336 -14.776 -3.195 1.00 0.00 C ATOM 102 CG2 ILE A 10 -4.374 -13.409 -3.839 1.00 0.00 C ATOM 103 CD1 ILE A 10 -1.790 -15.786 -4.207 1.00 0.00 C ATOM 0 HA ILE A 10 -3.787 -15.659 -1.358 1.00 0.00 H new ATOM 0 HB ILE A 10 -4.194 -15.526 -3.902 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -1.928 -13.788 -3.406 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -2.009 -15.048 -2.192 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -3.932 -13.261 -4.824 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -5.459 -13.448 -3.930 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -4.094 -12.581 -3.188 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -0.702 -15.803 -4.153 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -2.181 -16.778 -3.978 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -2.098 -15.497 -5.212 1.00 0.00 H new ATOM 115 N PHE A 11 -3.373 -13.105 -0.778 1.00 0.00 N ATOM 116 CA PHE A 11 -3.289 -11.899 0.028 1.00 0.00 C ATOM 117 C PHE A 11 -2.401 -10.851 -0.645 1.00 0.00 C ATOM 118 O PHE A 11 -1.478 -11.194 -1.382 1.00 0.00 O ATOM 119 CB PHE A 11 -2.664 -12.297 1.366 1.00 0.00 C ATOM 120 CG PHE A 11 -3.685 -12.645 2.451 1.00 0.00 C ATOM 121 CD1 PHE A 11 -4.215 -13.896 2.510 1.00 0.00 C ATOM 122 CD2 PHE A 11 -4.062 -11.703 3.357 1.00 0.00 C ATOM 123 CE1 PHE A 11 -5.163 -14.218 3.518 1.00 0.00 C ATOM 124 CE2 PHE A 11 -5.010 -12.025 4.364 1.00 0.00 C ATOM 125 CZ PHE A 11 -5.540 -13.276 4.423 1.00 0.00 C ATOM 0 H PHE A 11 -2.482 -13.431 -1.152 1.00 0.00 H new ATOM 0 HA PHE A 11 -4.282 -11.467 0.156 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -2.010 -13.154 1.209 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -2.037 -11.479 1.720 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -3.915 -14.644 1.791 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -3.640 -10.710 3.310 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -5.584 -15.211 3.565 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -5.310 -11.277 5.083 1.00 0.00 H new ATOM 0 HZ PHE A 11 -6.261 -13.521 5.189 1.00 0.00 H new ATOM 135 N CYS A 12 -2.710 -9.592 -0.367 1.00 0.00 N ATOM 136 CA CYS A 12 -1.951 -8.492 -0.936 1.00 0.00 C ATOM 137 C CYS A 12 -1.172 -7.812 0.192 1.00 0.00 C ATOM 138 O CYS A 12 -1.757 -7.385 1.186 1.00 0.00 O ATOM 139 CB CYS A 12 -2.855 -7.507 -1.680 1.00 0.00 C ATOM 140 SG CYS A 12 -1.882 -6.057 -2.229 1.00 0.00 S ATOM 0 H CYS A 12 -3.476 -9.310 0.245 1.00 0.00 H new ATOM 0 HA CYS A 12 -1.252 -8.875 -1.679 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -3.310 -7.997 -2.541 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -3.668 -7.185 -1.030 1.00 0.00 H new ATOM 0 HG CYS A 12 -1.228 -6.358 -3.312 1.00 0.00 H new ATOM 146 N HIS A 13 0.136 -7.732 -0.001 1.00 0.00 N ATOM 147 CA HIS A 13 1.002 -7.112 0.988 1.00 0.00 C ATOM 148 C HIS A 13 1.097 -5.609 0.715 1.00 0.00 C ATOM 149 O HIS A 13 1.538 -5.195 -0.356 1.00 0.00 O ATOM 150 CB HIS A 13 2.370 -7.796 1.019 1.00 0.00 C ATOM 151 CG HIS A 13 2.387 -9.100 1.780 1.00 0.00 C ATOM 152 ND1 HIS A 13 2.784 -10.296 1.210 1.00 0.00 N ATOM 153 CD2 HIS A 13 2.052 -9.382 3.072 1.00 0.00 C ATOM 154 CE1 HIS A 13 2.689 -11.249 2.126 1.00 0.00 C ATOM 155 NE2 HIS A 13 2.234 -10.680 3.279 1.00 0.00 N ATOM 0 H HIS A 13 0.618 -8.086 -0.828 1.00 0.00 H new ATOM 0 HA HIS A 13 0.575 -7.240 1.982 1.00 0.00 H new ATOM 0 HB2 HIS A 13 2.696 -7.980 -0.005 1.00 0.00 H new ATOM 0 HB3 HIS A 13 3.095 -7.116 1.467 1.00 0.00 H new ATOM 0 HD2 HIS A 13 1.699 -8.669 3.803 1.00 0.00 H new ATOM 0 HE1 HIS A 13 2.929 -12.292 1.984 1.00 0.00 H new ATOM 0 HE2 HIS A 13 2.062 -11.171 4.156 1.00 0.00 H new ATOM 163 N VAL A 14 0.675 -4.833 1.703 1.00 0.00 N ATOM 164 CA VAL A 14 0.708 -3.386 1.584 1.00 0.00 C ATOM 165 C VAL A 14 1.562 -2.804 2.712 1.00 0.00 C ATOM 166 O VAL A 14 1.138 -2.778 3.866 1.00 0.00 O ATOM 167 CB VAL A 14 -0.718 -2.830 1.566 1.00 0.00 C ATOM 168 CG1 VAL A 14 -0.759 -1.408 2.128 1.00 0.00 C ATOM 169 CG2 VAL A 14 -1.308 -2.880 0.155 1.00 0.00 C ATOM 0 H VAL A 14 0.308 -5.180 2.589 1.00 0.00 H new ATOM 0 HA VAL A 14 1.170 -3.091 0.642 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.332 -3.461 2.208 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -1.783 -1.037 2.104 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.399 -1.413 3.157 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.124 -0.760 1.524 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -2.322 -2.479 0.170 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.692 -2.284 -0.518 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -1.331 -3.913 -0.193 1.00 0.00 H new ATOM 179 N TYR A 15 2.750 -2.350 2.338 1.00 0.00 N ATOM 180 CA TYR A 15 3.667 -1.770 3.304 1.00 0.00 C ATOM 181 C TYR A 15 3.314 -0.309 3.586 1.00 0.00 C ATOM 182 O TYR A 15 3.275 0.512 2.671 1.00 0.00 O ATOM 183 CB TYR A 15 5.053 -1.833 2.659 1.00 0.00 C ATOM 184 CG TYR A 15 5.744 -3.190 2.800 1.00 0.00 C ATOM 185 CD1 TYR A 15 5.017 -4.354 2.654 1.00 0.00 C ATOM 186 CD2 TYR A 15 7.096 -3.251 3.073 1.00 0.00 C ATOM 187 CE1 TYR A 15 5.668 -5.631 2.786 1.00 0.00 C ATOM 188 CE2 TYR A 15 7.747 -4.529 3.206 1.00 0.00 C ATOM 189 CZ TYR A 15 7.000 -5.656 3.056 1.00 0.00 C ATOM 190 OH TYR A 15 7.615 -6.863 3.181 1.00 0.00 O ATOM 0 H TYR A 15 3.098 -2.372 1.379 1.00 0.00 H new ATOM 0 HA TYR A 15 3.621 -2.310 4.250 1.00 0.00 H new ATOM 0 HB2 TYR A 15 4.961 -1.592 1.600 1.00 0.00 H new ATOM 0 HB3 TYR A 15 5.686 -1.066 3.106 1.00 0.00 H new ATOM 0 HD1 TYR A 15 3.959 -4.307 2.441 1.00 0.00 H new ATOM 0 HD2 TYR A 15 7.666 -2.340 3.187 1.00 0.00 H new ATOM 0 HE1 TYR A 15 5.110 -6.549 2.673 1.00 0.00 H new ATOM 0 HE2 TYR A 15 8.804 -4.591 3.420 1.00 0.00 H new ATOM 0 HH TYR A 15 8.566 -6.727 3.373 1.00 0.00 H new ATOM 200 N ILE A 16 3.066 -0.028 4.857 1.00 0.00 N ATOM 201 CA ILE A 16 2.718 1.320 5.271 1.00 0.00 C ATOM 202 C ILE A 16 3.996 2.146 5.433 1.00 0.00 C ATOM 203 O ILE A 16 4.151 3.188 4.799 1.00 0.00 O ATOM 204 CB ILE A 16 1.844 1.286 6.527 1.00 0.00 C ATOM 205 CG1 ILE A 16 0.692 0.292 6.367 1.00 0.00 C ATOM 206 CG2 ILE A 16 1.347 2.688 6.887 1.00 0.00 C ATOM 207 CD1 ILE A 16 0.207 -0.209 7.729 1.00 0.00 C ATOM 0 H ILE A 16 3.099 -0.711 5.614 1.00 0.00 H new ATOM 0 HA ILE A 16 2.117 1.810 4.505 1.00 0.00 H new ATOM 0 HB ILE A 16 2.455 0.938 7.360 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -0.132 0.768 5.836 1.00 0.00 H new ATOM 0 HG13 ILE A 16 1.017 -0.553 5.760 1.00 0.00 H new ATOM 0 HG21 ILE A 16 0.728 2.636 7.783 1.00 0.00 H new ATOM 0 HG22 ILE A 16 2.200 3.340 7.073 1.00 0.00 H new ATOM 0 HG23 ILE A 16 0.758 3.088 6.062 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -0.612 -0.914 7.587 1.00 0.00 H new ATOM 0 HD12 ILE A 16 1.027 -0.706 8.247 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -0.140 0.635 8.325 1.00 0.00 H new ATOM 219 N THR A 17 4.879 1.649 6.287 1.00 0.00 N ATOM 220 CA THR A 17 6.139 2.327 6.541 1.00 0.00 C ATOM 221 C THR A 17 7.310 1.483 6.035 1.00 0.00 C ATOM 222 O THR A 17 7.230 0.882 4.964 1.00 0.00 O ATOM 223 CB THR A 17 6.215 2.638 8.037 1.00 0.00 C ATOM 224 OG1 THR A 17 6.249 1.356 8.657 1.00 0.00 O ATOM 225 CG2 THR A 17 4.930 3.275 8.569 1.00 0.00 C ATOM 0 H THR A 17 4.747 0.785 6.812 1.00 0.00 H new ATOM 0 HA THR A 17 6.199 3.269 5.995 1.00 0.00 H new ATOM 0 HB THR A 17 7.056 3.305 8.226 1.00 0.00 H new ATOM 0 HG1 THR A 17 5.658 1.355 9.439 1.00 0.00 H new ATOM 0 HG21 THR A 17 5.037 3.475 9.635 1.00 0.00 H new ATOM 0 HG22 THR A 17 4.742 4.210 8.041 1.00 0.00 H new ATOM 0 HG23 THR A 17 4.094 2.594 8.410 1.00 0.00 H new ATOM 233 N GLU A 18 8.371 1.464 6.829 1.00 0.00 N ATOM 234 CA GLU A 18 9.557 0.704 6.475 1.00 0.00 C ATOM 235 C GLU A 18 9.449 -0.727 7.006 1.00 0.00 C ATOM 236 O GLU A 18 9.896 -1.670 6.356 1.00 0.00 O ATOM 237 CB GLU A 18 10.823 1.388 6.996 1.00 0.00 C ATOM 238 CG GLU A 18 11.977 1.235 6.004 1.00 0.00 C ATOM 239 CD GLU A 18 12.157 2.506 5.171 1.00 0.00 C ATOM 240 OE1 GLU A 18 11.883 3.591 5.726 1.00 0.00 O ATOM 241 OE2 GLU A 18 12.563 2.362 3.997 1.00 0.00 O ATOM 0 H GLU A 18 8.433 1.963 7.716 1.00 0.00 H new ATOM 0 HA GLU A 18 9.627 0.663 5.388 1.00 0.00 H new ATOM 0 HB2 GLU A 18 10.624 2.446 7.168 1.00 0.00 H new ATOM 0 HB3 GLU A 18 11.105 0.956 7.956 1.00 0.00 H new ATOM 0 HG2 GLU A 18 12.898 1.016 6.544 1.00 0.00 H new ATOM 0 HG3 GLU A 18 11.785 0.388 5.345 1.00 0.00 H new ATOM 248 N HIS A 19 8.853 -0.843 8.184 1.00 0.00 N ATOM 249 CA HIS A 19 8.680 -2.142 8.810 1.00 0.00 C ATOM 250 C HIS A 19 7.224 -2.311 9.249 1.00 0.00 C ATOM 251 O HIS A 19 6.951 -2.886 10.301 1.00 0.00 O ATOM 252 CB HIS A 19 9.671 -2.327 9.962 1.00 0.00 C ATOM 253 CG HIS A 19 11.108 -2.063 9.583 1.00 0.00 C ATOM 254 ND1 HIS A 19 11.894 -2.994 8.926 1.00 0.00 N ATOM 255 CD2 HIS A 19 11.893 -0.964 9.774 1.00 0.00 C ATOM 256 CE1 HIS A 19 13.095 -2.469 8.736 1.00 0.00 C ATOM 257 NE2 HIS A 19 13.093 -1.211 9.263 1.00 0.00 N ATOM 0 H HIS A 19 8.484 -0.058 8.721 1.00 0.00 H new ATOM 0 HA HIS A 19 8.900 -2.929 8.088 1.00 0.00 H new ATOM 0 HB2 HIS A 19 9.393 -1.660 10.778 1.00 0.00 H new ATOM 0 HB3 HIS A 19 9.587 -3.346 10.340 1.00 0.00 H new ATOM 0 HD2 HIS A 19 11.590 -0.048 10.259 1.00 0.00 H new ATOM 0 HE1 HIS A 19 13.929 -2.952 8.249 1.00 0.00 H new ATOM 0 HE2 HIS A 19 13.883 -0.566 9.264 1.00 0.00 H new ATOM 265 N SER A 20 6.326 -1.800 8.419 1.00 0.00 N ATOM 266 CA SER A 20 4.905 -1.887 8.708 1.00 0.00 C ATOM 267 C SER A 20 4.130 -2.209 7.428 1.00 0.00 C ATOM 268 O SER A 20 4.501 -1.761 6.344 1.00 0.00 O ATOM 269 CB SER A 20 4.388 -0.587 9.328 1.00 0.00 C ATOM 270 OG SER A 20 5.277 -0.079 10.319 1.00 0.00 O ATOM 0 H SER A 20 6.555 -1.324 7.546 1.00 0.00 H new ATOM 0 HA SER A 20 4.751 -2.689 9.430 1.00 0.00 H new ATOM 0 HB2 SER A 20 4.253 0.159 8.545 1.00 0.00 H new ATOM 0 HB3 SER A 20 3.409 -0.762 9.774 1.00 0.00 H new ATOM 0 HG SER A 20 6.164 0.055 9.925 1.00 0.00 H new ATOM 276 N TYR A 21 3.068 -2.982 7.597 1.00 0.00 N ATOM 277 CA TYR A 21 2.237 -3.369 6.469 1.00 0.00 C ATOM 278 C TYR A 21 0.847 -3.806 6.936 1.00 0.00 C ATOM 279 O TYR A 21 0.550 -3.773 8.129 1.00 0.00 O ATOM 280 CB TYR A 21 2.941 -4.561 5.817 1.00 0.00 C ATOM 281 CG TYR A 21 2.630 -5.905 6.478 1.00 0.00 C ATOM 282 CD1 TYR A 21 2.845 -6.075 7.831 1.00 0.00 C ATOM 283 CD2 TYR A 21 2.136 -6.948 5.722 1.00 0.00 C ATOM 284 CE1 TYR A 21 2.553 -7.340 8.453 1.00 0.00 C ATOM 285 CE2 TYR A 21 1.844 -8.214 6.344 1.00 0.00 C ATOM 286 CZ TYR A 21 2.067 -8.347 7.679 1.00 0.00 C ATOM 287 OH TYR A 21 1.791 -9.542 8.267 1.00 0.00 O ATOM 0 H TYR A 21 2.763 -3.351 8.498 1.00 0.00 H new ATOM 0 HA TYR A 21 2.108 -2.532 5.782 1.00 0.00 H new ATOM 0 HB2 TYR A 21 2.654 -4.609 4.767 1.00 0.00 H new ATOM 0 HB3 TYR A 21 4.018 -4.394 5.846 1.00 0.00 H new ATOM 0 HD1 TYR A 21 3.232 -5.259 8.423 1.00 0.00 H new ATOM 0 HD2 TYR A 21 1.968 -6.815 4.663 1.00 0.00 H new ATOM 0 HE1 TYR A 21 2.716 -7.486 9.511 1.00 0.00 H new ATOM 0 HE2 TYR A 21 1.457 -9.038 5.764 1.00 0.00 H new ATOM 0 HH TYR A 21 1.450 -10.167 7.594 1.00 0.00 H new ATOM 297 N VAL A 22 0.032 -4.206 5.971 1.00 0.00 N ATOM 298 CA VAL A 22 -1.319 -4.649 6.268 1.00 0.00 C ATOM 299 C VAL A 22 -1.688 -5.806 5.338 1.00 0.00 C ATOM 300 O VAL A 22 -1.636 -5.667 4.117 1.00 0.00 O ATOM 301 CB VAL A 22 -2.290 -3.470 6.170 1.00 0.00 C ATOM 302 CG1 VAL A 22 -2.111 -2.722 4.847 1.00 0.00 C ATOM 303 CG2 VAL A 22 -3.737 -3.935 6.345 1.00 0.00 C ATOM 0 H VAL A 22 0.282 -4.232 4.982 1.00 0.00 H new ATOM 0 HA VAL A 22 -1.383 -5.021 7.291 1.00 0.00 H new ATOM 0 HB VAL A 22 -2.060 -2.778 6.981 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -2.813 -1.889 4.802 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -1.092 -2.342 4.779 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.301 -3.402 4.016 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -4.406 -3.078 6.271 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.984 -4.656 5.566 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.853 -4.403 7.323 1.00 0.00 H new ATOM 313 N SER A 23 -2.053 -6.923 5.951 1.00 0.00 N ATOM 314 CA SER A 23 -2.431 -8.104 5.193 1.00 0.00 C ATOM 315 C SER A 23 -3.857 -7.949 4.660 1.00 0.00 C ATOM 316 O SER A 23 -4.801 -7.803 5.435 1.00 0.00 O ATOM 317 CB SER A 23 -2.318 -9.367 6.049 1.00 0.00 C ATOM 318 OG SER A 23 -3.498 -9.601 6.813 1.00 0.00 O ATOM 0 H SER A 23 -2.095 -7.035 6.964 1.00 0.00 H new ATOM 0 HA SER A 23 -1.745 -8.205 4.352 1.00 0.00 H new ATOM 0 HB2 SER A 23 -2.127 -10.225 5.405 1.00 0.00 H new ATOM 0 HB3 SER A 23 -1.464 -9.275 6.720 1.00 0.00 H new ATOM 0 HG SER A 23 -4.078 -8.812 6.769 1.00 0.00 H new ATOM 324 N VAL A 24 -3.968 -7.988 3.340 1.00 0.00 N ATOM 325 CA VAL A 24 -5.263 -7.854 2.694 1.00 0.00 C ATOM 326 C VAL A 24 -5.562 -9.123 1.893 1.00 0.00 C ATOM 327 O VAL A 24 -4.728 -9.579 1.113 1.00 0.00 O ATOM 328 CB VAL A 24 -5.292 -6.586 1.839 1.00 0.00 C ATOM 329 CG1 VAL A 24 -6.641 -6.431 1.134 1.00 0.00 C ATOM 330 CG2 VAL A 24 -4.967 -5.350 2.679 1.00 0.00 C ATOM 0 H VAL A 24 -3.183 -8.110 2.701 1.00 0.00 H new ATOM 0 HA VAL A 24 -6.052 -7.746 3.438 1.00 0.00 H new ATOM 0 HB VAL A 24 -4.523 -6.681 1.073 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -6.635 -5.522 0.533 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -6.815 -7.292 0.488 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -7.435 -6.369 1.878 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -4.994 -4.463 2.046 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -5.702 -5.249 3.478 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -3.973 -5.456 3.112 1.00 0.00 H new ATOM 340 N LYS A 25 -6.754 -9.656 2.114 1.00 0.00 N ATOM 341 CA LYS A 25 -7.173 -10.864 1.422 1.00 0.00 C ATOM 342 C LYS A 25 -8.032 -10.482 0.215 1.00 0.00 C ATOM 343 O LYS A 25 -9.220 -10.200 0.357 1.00 0.00 O ATOM 344 CB LYS A 25 -7.868 -11.823 2.392 1.00 0.00 C ATOM 345 CG LYS A 25 -8.074 -13.196 1.750 1.00 0.00 C ATOM 346 CD LYS A 25 -9.193 -13.967 2.453 1.00 0.00 C ATOM 347 CE LYS A 25 -8.647 -15.214 3.150 1.00 0.00 C ATOM 348 NZ LYS A 25 -9.149 -15.293 4.540 1.00 0.00 N ATOM 0 H LYS A 25 -7.443 -9.274 2.762 1.00 0.00 H new ATOM 0 HA LYS A 25 -6.307 -11.405 1.040 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -7.270 -11.927 3.298 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -8.831 -11.409 2.691 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -8.318 -13.075 0.695 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -7.147 -13.767 1.799 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -9.680 -13.322 3.184 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -9.952 -14.256 1.726 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -8.945 -16.106 2.598 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -7.557 -15.189 3.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -8.769 -16.145 4.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -8.844 -14.450 5.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -10.188 -15.339 4.532 1.00 0.00 H new ATOM 362 N ALA A 26 -7.396 -10.486 -0.948 1.00 0.00 N ATOM 363 CA ALA A 26 -8.086 -10.144 -2.180 1.00 0.00 C ATOM 364 C ALA A 26 -7.953 -11.301 -3.172 1.00 0.00 C ATOM 365 O ALA A 26 -7.318 -12.311 -2.872 1.00 0.00 O ATOM 366 CB ALA A 26 -7.523 -8.833 -2.733 1.00 0.00 C ATOM 0 H ALA A 26 -6.410 -10.721 -1.063 1.00 0.00 H new ATOM 0 HA ALA A 26 -9.149 -9.990 -1.995 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -8.040 -8.576 -3.657 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -7.669 -8.037 -2.002 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -6.458 -8.950 -2.934 1.00 0.00 H new ATOM 372 N LYS A 27 -8.561 -11.115 -4.334 1.00 0.00 N ATOM 373 CA LYS A 27 -8.519 -12.131 -5.372 1.00 0.00 C ATOM 374 C LYS A 27 -7.124 -12.151 -6.002 1.00 0.00 C ATOM 375 O LYS A 27 -6.273 -11.332 -5.661 1.00 0.00 O ATOM 376 CB LYS A 27 -9.647 -11.912 -6.383 1.00 0.00 C ATOM 377 CG LYS A 27 -10.989 -11.720 -5.673 1.00 0.00 C ATOM 378 CD LYS A 27 -11.463 -13.027 -5.035 1.00 0.00 C ATOM 379 CE LYS A 27 -12.931 -13.299 -5.369 1.00 0.00 C ATOM 380 NZ LYS A 27 -13.811 -12.785 -4.295 1.00 0.00 N ATOM 0 H LYS A 27 -9.086 -10.276 -4.580 1.00 0.00 H new ATOM 0 HA LYS A 27 -8.692 -13.119 -4.946 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -9.427 -11.037 -6.995 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -9.707 -12.766 -7.057 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -10.892 -10.951 -4.907 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -11.735 -11.368 -6.386 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -10.847 -13.853 -5.389 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -11.336 -12.975 -3.954 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -13.188 -12.825 -6.316 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -13.089 -14.370 -5.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -14.804 -12.978 -4.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -13.576 -13.256 -3.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -13.672 -11.759 -4.194 1.00 0.00 H new ATOM 394 N VAL A 28 -6.935 -13.097 -6.911 1.00 0.00 N ATOM 395 CA VAL A 28 -5.658 -13.235 -7.592 1.00 0.00 C ATOM 396 C VAL A 28 -5.582 -12.221 -8.734 1.00 0.00 C ATOM 397 O VAL A 28 -4.519 -12.017 -9.318 1.00 0.00 O ATOM 398 CB VAL A 28 -5.469 -14.679 -8.061 1.00 0.00 C ATOM 399 CG1 VAL A 28 -6.437 -15.018 -9.196 1.00 0.00 C ATOM 400 CG2 VAL A 28 -4.020 -14.934 -8.481 1.00 0.00 C ATOM 0 H VAL A 28 -7.644 -13.775 -7.192 1.00 0.00 H new ATOM 0 HA VAL A 28 -4.836 -13.018 -6.910 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.695 -15.336 -7.221 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -6.282 -16.050 -9.511 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -7.463 -14.895 -8.848 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -6.257 -14.351 -10.039 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -3.913 -15.968 -8.810 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -3.755 -14.264 -9.299 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -3.358 -14.753 -7.634 1.00 0.00 H new ATOM 410 N SER A 29 -6.724 -11.612 -9.019 1.00 0.00 N ATOM 411 CA SER A 29 -6.800 -10.623 -10.082 1.00 0.00 C ATOM 412 C SER A 29 -7.588 -9.402 -9.605 1.00 0.00 C ATOM 413 O SER A 29 -8.280 -8.759 -10.393 1.00 0.00 O ATOM 414 CB SER A 29 -7.443 -11.214 -11.338 1.00 0.00 C ATOM 415 OG SER A 29 -7.449 -10.287 -12.421 1.00 0.00 O ATOM 0 H SER A 29 -7.604 -11.784 -8.533 1.00 0.00 H new ATOM 0 HA SER A 29 -5.786 -10.315 -10.337 1.00 0.00 H new ATOM 0 HB2 SER A 29 -6.902 -12.113 -11.633 1.00 0.00 H new ATOM 0 HB3 SER A 29 -8.466 -11.516 -11.114 1.00 0.00 H new ATOM 0 HG SER A 29 -7.865 -9.448 -12.131 1.00 0.00 H new ATOM 421 N SER A 30 -7.458 -9.119 -8.317 1.00 0.00 N ATOM 422 CA SER A 30 -8.150 -7.987 -7.726 1.00 0.00 C ATOM 423 C SER A 30 -7.348 -6.705 -7.957 1.00 0.00 C ATOM 424 O SER A 30 -6.124 -6.705 -7.842 1.00 0.00 O ATOM 425 CB SER A 30 -8.384 -8.204 -6.230 1.00 0.00 C ATOM 426 OG SER A 30 -9.751 -8.023 -5.871 1.00 0.00 O ATOM 0 H SER A 30 -6.883 -9.655 -7.666 1.00 0.00 H new ATOM 0 HA SER A 30 -9.123 -7.892 -8.208 1.00 0.00 H new ATOM 0 HB2 SER A 30 -8.068 -9.210 -5.956 1.00 0.00 H new ATOM 0 HB3 SER A 30 -7.765 -7.509 -5.662 1.00 0.00 H new ATOM 0 HG SER A 30 -9.859 -8.172 -4.908 1.00 0.00 H new ATOM 432 N ILE A 31 -8.071 -5.642 -8.280 1.00 0.00 N ATOM 433 CA ILE A 31 -7.442 -4.356 -8.529 1.00 0.00 C ATOM 434 C ILE A 31 -6.854 -3.820 -7.222 1.00 0.00 C ATOM 435 O ILE A 31 -7.194 -4.299 -6.141 1.00 0.00 O ATOM 436 CB ILE A 31 -8.429 -3.397 -9.198 1.00 0.00 C ATOM 437 CG1 ILE A 31 -9.742 -3.328 -8.416 1.00 0.00 C ATOM 438 CG2 ILE A 31 -8.653 -3.777 -10.663 1.00 0.00 C ATOM 439 CD1 ILE A 31 -10.533 -2.071 -8.784 1.00 0.00 C ATOM 0 H ILE A 31 -9.087 -5.645 -8.375 1.00 0.00 H new ATOM 0 HA ILE A 31 -6.615 -4.466 -9.230 1.00 0.00 H new ATOM 0 HB ILE A 31 -7.996 -2.397 -9.187 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -10.342 -4.214 -8.626 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -9.533 -3.331 -7.346 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -9.358 -3.080 -11.116 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -7.705 -3.734 -11.199 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -9.055 -4.788 -10.719 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -11.462 -2.046 -8.214 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -9.940 -1.187 -8.550 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -10.761 -2.084 -9.850 1.00 0.00 H new ATOM 451 N ALA A 32 -5.982 -2.833 -7.364 1.00 0.00 N ATOM 452 CA ALA A 32 -5.343 -2.226 -6.208 1.00 0.00 C ATOM 453 C ALA A 32 -6.414 -1.615 -5.302 1.00 0.00 C ATOM 454 O ALA A 32 -6.366 -1.775 -4.083 1.00 0.00 O ATOM 455 CB ALA A 32 -4.316 -1.193 -6.676 1.00 0.00 C ATOM 0 H ALA A 32 -5.703 -2.438 -8.262 1.00 0.00 H new ATOM 0 HA ALA A 32 -4.808 -2.977 -5.626 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -3.837 -0.738 -5.809 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -3.562 -1.683 -7.292 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -4.817 -0.421 -7.261 1.00 0.00 H new ATOM 461 N GLN A 33 -7.355 -0.927 -5.932 1.00 0.00 N ATOM 462 CA GLN A 33 -8.435 -0.292 -5.197 1.00 0.00 C ATOM 463 C GLN A 33 -9.046 -1.274 -4.196 1.00 0.00 C ATOM 464 O GLN A 33 -9.327 -0.908 -3.055 1.00 0.00 O ATOM 465 CB GLN A 33 -9.501 0.253 -6.151 1.00 0.00 C ATOM 466 CG GLN A 33 -10.729 0.741 -5.380 1.00 0.00 C ATOM 467 CD GLN A 33 -10.768 2.269 -5.322 1.00 0.00 C ATOM 468 OE1 GLN A 33 -11.657 2.914 -5.854 1.00 0.00 O ATOM 469 NE2 GLN A 33 -9.758 2.811 -4.648 1.00 0.00 N ATOM 0 H GLN A 33 -7.392 -0.796 -6.943 1.00 0.00 H new ATOM 0 HA GLN A 33 -8.024 0.552 -4.643 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -9.085 1.073 -6.736 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -9.795 -0.525 -6.856 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -11.635 0.368 -5.858 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -10.713 0.335 -4.368 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -9.047 2.213 -4.227 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -9.694 3.824 -4.552 1.00 0.00 H new ATOM 478 N GLU A 34 -9.234 -2.501 -4.658 1.00 0.00 N ATOM 479 CA GLU A 34 -9.806 -3.538 -3.817 1.00 0.00 C ATOM 480 C GLU A 34 -8.971 -3.713 -2.547 1.00 0.00 C ATOM 481 O GLU A 34 -9.457 -4.239 -1.547 1.00 0.00 O ATOM 482 CB GLU A 34 -9.926 -4.859 -4.580 1.00 0.00 C ATOM 483 CG GLU A 34 -11.073 -4.806 -5.591 1.00 0.00 C ATOM 484 CD GLU A 34 -12.217 -5.731 -5.171 1.00 0.00 C ATOM 485 OE1 GLU A 34 -12.503 -5.764 -3.955 1.00 0.00 O ATOM 486 OE2 GLU A 34 -12.779 -6.385 -6.076 1.00 0.00 O ATOM 0 H GLU A 34 -9.000 -2.800 -5.605 1.00 0.00 H new ATOM 0 HA GLU A 34 -10.811 -3.230 -3.528 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -8.990 -5.071 -5.097 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -10.093 -5.675 -3.877 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -11.440 -3.783 -5.677 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -10.708 -5.097 -6.576 1.00 0.00 H new ATOM 493 N ILE A 35 -7.728 -3.260 -2.627 1.00 0.00 N ATOM 494 CA ILE A 35 -6.821 -3.360 -1.496 1.00 0.00 C ATOM 495 C ILE A 35 -6.812 -2.031 -0.737 1.00 0.00 C ATOM 496 O ILE A 35 -6.916 -2.012 0.488 1.00 0.00 O ATOM 497 CB ILE A 35 -5.435 -3.813 -1.960 1.00 0.00 C ATOM 498 CG1 ILE A 35 -5.543 -4.914 -3.016 1.00 0.00 C ATOM 499 CG2 ILE A 35 -4.572 -4.241 -0.771 1.00 0.00 C ATOM 500 CD1 ILE A 35 -6.518 -6.006 -2.572 1.00 0.00 C ATOM 0 H ILE A 35 -7.328 -2.823 -3.457 1.00 0.00 H new ATOM 0 HA ILE A 35 -7.164 -4.124 -0.798 1.00 0.00 H new ATOM 0 HB ILE A 35 -4.938 -2.965 -2.430 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -5.877 -4.485 -3.961 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -4.560 -5.350 -3.194 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -3.592 -4.558 -1.128 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -4.454 -3.401 -0.086 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -5.054 -5.069 -0.251 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -6.576 -6.776 -3.341 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -6.168 -6.449 -1.640 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -7.506 -5.571 -2.418 1.00 0.00 H new ATOM 512 N LEU A 36 -6.687 -0.953 -1.497 1.00 0.00 N ATOM 513 CA LEU A 36 -6.663 0.376 -0.911 1.00 0.00 C ATOM 514 C LEU A 36 -7.918 0.576 -0.059 1.00 0.00 C ATOM 515 O LEU A 36 -7.845 1.118 1.043 1.00 0.00 O ATOM 516 CB LEU A 36 -6.482 1.438 -1.998 1.00 0.00 C ATOM 517 CG LEU A 36 -6.167 2.853 -1.508 1.00 0.00 C ATOM 518 CD1 LEU A 36 -4.705 2.970 -1.072 1.00 0.00 C ATOM 519 CD2 LEU A 36 -6.535 3.894 -2.567 1.00 0.00 C ATOM 0 H LEU A 36 -6.601 -0.973 -2.513 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.806 0.484 -0.247 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -5.679 1.117 -2.661 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -7.393 1.476 -2.596 1.00 0.00 H new ATOM 0 HG LEU A 36 -6.781 3.055 -0.630 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -4.508 3.985 -0.728 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -4.510 2.268 -0.261 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -4.054 2.740 -1.916 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -6.301 4.891 -2.194 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -5.966 3.704 -3.477 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -7.601 3.829 -2.786 1.00 0.00 H new ATOM 531 N LYS A 37 -9.041 0.128 -0.602 1.00 0.00 N ATOM 532 CA LYS A 37 -10.310 0.251 0.094 1.00 0.00 C ATOM 533 C LYS A 37 -10.241 -0.523 1.412 1.00 0.00 C ATOM 534 O LYS A 37 -10.902 -0.161 2.384 1.00 0.00 O ATOM 535 CB LYS A 37 -11.463 -0.181 -0.814 1.00 0.00 C ATOM 536 CG LYS A 37 -11.312 -1.645 -1.232 1.00 0.00 C ATOM 537 CD LYS A 37 -12.459 -2.494 -0.681 1.00 0.00 C ATOM 538 CE LYS A 37 -12.289 -3.965 -1.068 1.00 0.00 C ATOM 539 NZ LYS A 37 -13.605 -4.583 -1.346 1.00 0.00 N ATOM 0 H LYS A 37 -9.098 -0.321 -1.516 1.00 0.00 H new ATOM 0 HA LYS A 37 -10.507 1.293 0.346 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -12.411 -0.043 -0.294 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -11.490 0.453 -1.700 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -11.292 -1.716 -2.319 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -10.360 -2.034 -0.870 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -12.495 -2.402 0.405 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -13.409 -2.121 -1.064 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -11.650 -4.044 -1.948 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -11.790 -4.504 -0.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -13.891 -5.170 -0.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -14.313 -3.837 -1.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -13.537 -5.176 -2.197 1.00 0.00 H new ATOM 553 N VAL A 38 -9.435 -1.575 1.402 1.00 0.00 N ATOM 554 CA VAL A 38 -9.271 -2.403 2.584 1.00 0.00 C ATOM 555 C VAL A 38 -8.242 -1.759 3.515 1.00 0.00 C ATOM 556 O VAL A 38 -8.538 -1.479 4.675 1.00 0.00 O ATOM 557 CB VAL A 38 -8.898 -3.830 2.176 1.00 0.00 C ATOM 558 CG1 VAL A 38 -8.951 -4.775 3.378 1.00 0.00 C ATOM 559 CG2 VAL A 38 -9.798 -4.330 1.045 1.00 0.00 C ATOM 0 H VAL A 38 -8.889 -1.873 0.594 1.00 0.00 H new ATOM 0 HA VAL A 38 -10.209 -2.471 3.135 1.00 0.00 H new ATOM 0 HB VAL A 38 -7.873 -3.816 1.806 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -8.682 -5.782 3.061 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -8.249 -4.435 4.140 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -9.960 -4.782 3.791 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -9.512 -5.346 0.774 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -10.837 -4.322 1.376 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -9.688 -3.679 0.178 1.00 0.00 H new ATOM 569 N VAL A 39 -7.053 -1.542 2.970 1.00 0.00 N ATOM 570 CA VAL A 39 -5.978 -0.936 3.737 1.00 0.00 C ATOM 571 C VAL A 39 -6.480 0.363 4.372 1.00 0.00 C ATOM 572 O VAL A 39 -6.359 0.554 5.581 1.00 0.00 O ATOM 573 CB VAL A 39 -4.751 -0.731 2.846 1.00 0.00 C ATOM 574 CG1 VAL A 39 -3.606 -0.087 3.630 1.00 0.00 C ATOM 575 CG2 VAL A 39 -4.308 -2.051 2.211 1.00 0.00 C ATOM 0 H VAL A 39 -6.811 -1.775 2.007 1.00 0.00 H new ATOM 0 HA VAL A 39 -5.668 -1.595 4.548 1.00 0.00 H new ATOM 0 HB VAL A 39 -5.030 -0.050 2.042 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -2.746 0.048 2.974 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -3.926 0.882 4.012 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -3.328 -0.732 4.464 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -3.434 -1.877 1.583 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -4.055 -2.765 2.995 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -5.119 -2.452 1.602 1.00 0.00 H new ATOM 585 N ALA A 40 -7.033 1.222 3.528 1.00 0.00 N ATOM 586 CA ALA A 40 -7.553 2.497 3.991 1.00 0.00 C ATOM 587 C ALA A 40 -8.211 2.307 5.359 1.00 0.00 C ATOM 588 O ALA A 40 -7.959 3.077 6.285 1.00 0.00 O ATOM 589 CB ALA A 40 -8.523 3.061 2.951 1.00 0.00 C ATOM 0 H ALA A 40 -7.132 1.060 2.526 1.00 0.00 H new ATOM 0 HA ALA A 40 -6.746 3.220 4.110 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -8.913 4.018 3.298 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -8.000 3.204 2.006 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -9.348 2.363 2.807 1.00 0.00 H new ATOM 595 N GLU A 41 -9.041 1.278 5.444 1.00 0.00 N ATOM 596 CA GLU A 41 -9.737 0.978 6.683 1.00 0.00 C ATOM 597 C GLU A 41 -8.763 0.404 7.713 1.00 0.00 C ATOM 598 O GLU A 41 -8.800 0.777 8.885 1.00 0.00 O ATOM 599 CB GLU A 41 -10.904 0.019 6.438 1.00 0.00 C ATOM 600 CG GLU A 41 -11.682 0.412 5.181 1.00 0.00 C ATOM 601 CD GLU A 41 -13.149 0.695 5.510 1.00 0.00 C ATOM 602 OE1 GLU A 41 -13.418 1.819 5.985 1.00 0.00 O ATOM 603 OE2 GLU A 41 -13.969 -0.220 5.278 1.00 0.00 O ATOM 0 H GLU A 41 -9.247 0.641 4.674 1.00 0.00 H new ATOM 0 HA GLU A 41 -10.149 1.906 7.079 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -10.527 -0.999 6.334 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -11.571 0.025 7.300 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -11.230 1.296 4.731 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -11.619 -0.389 4.445 1.00 0.00 H new ATOM 610 N LYS A 42 -7.913 -0.496 7.240 1.00 0.00 N ATOM 611 CA LYS A 42 -6.930 -1.126 8.105 1.00 0.00 C ATOM 612 C LYS A 42 -6.020 -0.051 8.702 1.00 0.00 C ATOM 613 O LYS A 42 -5.339 -0.292 9.698 1.00 0.00 O ATOM 614 CB LYS A 42 -6.175 -2.221 7.350 1.00 0.00 C ATOM 615 CG LYS A 42 -6.583 -3.610 7.845 1.00 0.00 C ATOM 616 CD LYS A 42 -8.092 -3.822 7.700 1.00 0.00 C ATOM 617 CE LYS A 42 -8.488 -3.960 6.229 1.00 0.00 C ATOM 618 NZ LYS A 42 -9.883 -3.511 6.024 1.00 0.00 N ATOM 0 H LYS A 42 -7.885 -0.804 6.268 1.00 0.00 H new ATOM 0 HA LYS A 42 -7.422 -1.628 8.939 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -6.378 -2.138 6.282 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -5.102 -2.085 7.482 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -6.049 -4.373 7.279 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -6.294 -3.727 8.890 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -8.391 -4.717 8.246 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -8.625 -2.983 8.147 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -7.815 -3.369 5.608 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -8.384 -4.998 5.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -10.464 -4.315 5.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -10.262 -3.137 6.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -9.905 -2.765 5.299 1.00 0.00 H new ATOM 632 N ILE A 43 -6.037 1.113 8.069 1.00 0.00 N ATOM 633 CA ILE A 43 -5.222 2.226 8.526 1.00 0.00 C ATOM 634 C ILE A 43 -6.131 3.329 9.071 1.00 0.00 C ATOM 635 O ILE A 43 -5.669 4.231 9.767 1.00 0.00 O ATOM 636 CB ILE A 43 -4.285 2.696 7.411 1.00 0.00 C ATOM 637 CG1 ILE A 43 -4.922 3.824 6.598 1.00 0.00 C ATOM 638 CG2 ILE A 43 -3.854 1.524 6.526 1.00 0.00 C ATOM 639 CD1 ILE A 43 -3.932 4.395 5.582 1.00 0.00 C ATOM 0 H ILE A 43 -6.602 1.309 7.243 1.00 0.00 H new ATOM 0 HA ILE A 43 -4.575 1.913 9.345 1.00 0.00 H new ATOM 0 HB ILE A 43 -3.383 3.101 7.871 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -5.805 3.450 6.080 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -5.257 4.615 7.268 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -3.189 1.886 5.742 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -3.332 0.783 7.132 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -4.734 1.067 6.073 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -4.411 5.195 5.018 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -3.061 4.791 6.105 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -3.617 3.607 4.898 1.00 0.00 H new ATOM 651 N GLN A 44 -7.408 3.220 8.733 1.00 0.00 N ATOM 652 CA GLN A 44 -8.386 4.197 9.180 1.00 0.00 C ATOM 653 C GLN A 44 -8.222 5.505 8.404 1.00 0.00 C ATOM 654 O GLN A 44 -7.966 6.554 8.994 1.00 0.00 O ATOM 655 CB GLN A 44 -8.273 4.436 10.687 1.00 0.00 C ATOM 656 CG GLN A 44 -8.215 3.111 11.449 1.00 0.00 C ATOM 657 CD GLN A 44 -8.478 3.324 12.942 1.00 0.00 C ATOM 658 OE1 GLN A 44 -7.994 4.261 13.556 1.00 0.00 O ATOM 659 NE2 GLN A 44 -9.269 2.405 13.488 1.00 0.00 N ATOM 0 H GLN A 44 -7.787 2.470 8.155 1.00 0.00 H new ATOM 0 HA GLN A 44 -9.382 3.802 8.982 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -7.379 5.022 10.900 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -9.126 5.021 11.031 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -8.953 2.420 11.041 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -7.237 2.650 11.311 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -9.640 1.647 12.916 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -9.505 2.459 14.479 1.00 0.00 H new ATOM 668 N TYR A 45 -8.376 5.401 7.092 1.00 0.00 N ATOM 669 CA TYR A 45 -8.249 6.563 6.229 1.00 0.00 C ATOM 670 C TYR A 45 -9.250 6.500 5.074 1.00 0.00 C ATOM 671 O TYR A 45 -10.227 5.756 5.134 1.00 0.00 O ATOM 672 CB TYR A 45 -6.829 6.512 5.661 1.00 0.00 C ATOM 673 CG TYR A 45 -5.937 7.670 6.112 1.00 0.00 C ATOM 674 CD1 TYR A 45 -5.979 8.876 5.442 1.00 0.00 C ATOM 675 CD2 TYR A 45 -5.090 7.509 7.190 1.00 0.00 C ATOM 676 CE1 TYR A 45 -5.139 9.966 5.867 1.00 0.00 C ATOM 677 CE2 TYR A 45 -4.250 8.599 7.615 1.00 0.00 C ATOM 678 CZ TYR A 45 -4.316 9.773 6.932 1.00 0.00 C ATOM 679 OH TYR A 45 -3.522 10.803 7.333 1.00 0.00 O ATOM 0 H TYR A 45 -8.588 4.530 6.606 1.00 0.00 H new ATOM 0 HA TYR A 45 -8.444 7.479 6.787 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -6.364 5.572 5.957 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -6.884 6.512 4.572 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -6.642 9.002 4.599 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -5.057 6.566 7.715 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -5.162 10.915 5.352 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -3.583 8.487 8.457 1.00 0.00 H new ATOM 0 HH TYR A 45 -2.988 10.523 8.105 1.00 0.00 H new ATOM 689 N ALA A 46 -8.972 7.292 4.049 1.00 0.00 N ATOM 690 CA ALA A 46 -9.837 7.336 2.881 1.00 0.00 C ATOM 691 C ALA A 46 -9.064 6.832 1.661 1.00 0.00 C ATOM 692 O ALA A 46 -8.170 7.515 1.162 1.00 0.00 O ATOM 693 CB ALA A 46 -10.365 8.760 2.690 1.00 0.00 C ATOM 0 H ALA A 46 -8.161 7.908 4.002 1.00 0.00 H new ATOM 0 HA ALA A 46 -10.700 6.684 3.017 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -11.013 8.793 1.814 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -10.931 9.060 3.572 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -9.527 9.443 2.547 1.00 0.00 H new ATOM 699 N GLU A 47 -9.436 5.642 1.215 1.00 0.00 N ATOM 700 CA GLU A 47 -8.789 5.038 0.062 1.00 0.00 C ATOM 701 C GLU A 47 -8.658 6.061 -1.068 1.00 0.00 C ATOM 702 O GLU A 47 -7.624 6.130 -1.731 1.00 0.00 O ATOM 703 CB GLU A 47 -9.551 3.797 -0.407 1.00 0.00 C ATOM 704 CG GLU A 47 -11.035 4.110 -0.614 1.00 0.00 C ATOM 705 CD GLU A 47 -11.766 2.916 -1.231 1.00 0.00 C ATOM 706 OE1 GLU A 47 -11.436 2.586 -2.391 1.00 0.00 O ATOM 707 OE2 GLU A 47 -12.638 2.361 -0.529 1.00 0.00 O ATOM 0 H GLU A 47 -10.178 5.079 1.631 1.00 0.00 H new ATOM 0 HA GLU A 47 -7.789 4.720 0.356 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -9.119 3.431 -1.339 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -9.443 3.000 0.329 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -11.493 4.367 0.341 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -11.140 4.980 -1.262 1.00 0.00 H new ATOM 714 N GLU A 48 -9.720 6.830 -1.254 1.00 0.00 N ATOM 715 CA GLU A 48 -9.737 7.846 -2.293 1.00 0.00 C ATOM 716 C GLU A 48 -8.627 8.872 -2.050 1.00 0.00 C ATOM 717 O GLU A 48 -8.112 9.469 -2.993 1.00 0.00 O ATOM 718 CB GLU A 48 -11.104 8.527 -2.373 1.00 0.00 C ATOM 719 CG GLU A 48 -11.617 8.892 -0.979 1.00 0.00 C ATOM 720 CD GLU A 48 -12.596 10.067 -1.045 1.00 0.00 C ATOM 721 OE1 GLU A 48 -12.147 11.157 -1.460 1.00 0.00 O ATOM 722 OE2 GLU A 48 -13.771 9.847 -0.679 1.00 0.00 O ATOM 0 H GLU A 48 -10.576 6.770 -0.702 1.00 0.00 H new ATOM 0 HA GLU A 48 -9.554 7.360 -3.251 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -11.031 9.426 -2.985 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -11.816 7.864 -2.865 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -12.109 8.029 -0.531 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -10.777 9.150 -0.334 1.00 0.00 H new ATOM 729 N ASP A 49 -8.292 9.043 -0.780 1.00 0.00 N ATOM 730 CA ASP A 49 -7.254 9.986 -0.401 1.00 0.00 C ATOM 731 C ASP A 49 -5.907 9.261 -0.347 1.00 0.00 C ATOM 732 O ASP A 49 -4.870 9.885 -0.128 1.00 0.00 O ATOM 733 CB ASP A 49 -7.526 10.579 0.983 1.00 0.00 C ATOM 734 CG ASP A 49 -8.775 11.458 1.076 1.00 0.00 C ATOM 735 OD1 ASP A 49 -9.826 11.005 0.573 1.00 0.00 O ATOM 736 OD2 ASP A 49 -8.650 12.563 1.646 1.00 0.00 O ATOM 0 H ASP A 49 -8.721 8.545 -0.000 1.00 0.00 H new ATOM 0 HA ASP A 49 -7.241 10.787 -1.140 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -7.620 9.763 1.699 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -6.661 11.170 1.285 1.00 0.00 H new ATOM 741 N LEU A 50 -5.967 7.953 -0.552 1.00 0.00 N ATOM 742 CA LEU A 50 -4.766 7.137 -0.530 1.00 0.00 C ATOM 743 C LEU A 50 -4.434 6.686 -1.954 1.00 0.00 C ATOM 744 O LEU A 50 -5.180 6.974 -2.889 1.00 0.00 O ATOM 745 CB LEU A 50 -4.922 5.981 0.460 1.00 0.00 C ATOM 746 CG LEU A 50 -5.030 6.371 1.936 1.00 0.00 C ATOM 747 CD1 LEU A 50 -5.225 5.136 2.817 1.00 0.00 C ATOM 748 CD2 LEU A 50 -3.822 7.202 2.373 1.00 0.00 C ATOM 0 H LEU A 50 -6.829 7.439 -0.734 1.00 0.00 H new ATOM 0 HA LEU A 50 -3.917 7.720 -0.174 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -5.813 5.414 0.189 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -4.070 5.311 0.343 1.00 0.00 H new ATOM 0 HG LEU A 50 -5.914 6.997 2.060 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -5.299 5.442 3.861 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -6.140 4.621 2.524 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -4.375 4.464 2.695 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -3.924 7.466 3.426 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.910 6.622 2.231 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.770 8.111 1.774 1.00 0.00 H new ATOM 760 N ALA A 51 -3.316 5.987 -2.074 1.00 0.00 N ATOM 761 CA ALA A 51 -2.877 5.493 -3.368 1.00 0.00 C ATOM 762 C ALA A 51 -1.832 4.394 -3.163 1.00 0.00 C ATOM 763 O ALA A 51 -1.068 4.431 -2.200 1.00 0.00 O ATOM 764 CB ALA A 51 -2.341 6.658 -4.204 1.00 0.00 C ATOM 0 H ALA A 51 -2.700 5.751 -1.296 1.00 0.00 H new ATOM 0 HA ALA A 51 -3.712 5.055 -3.915 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -2.012 6.288 -5.175 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -3.130 7.397 -4.346 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.500 7.120 -3.687 1.00 0.00 H new ATOM 770 N LEU A 52 -1.833 3.442 -4.084 1.00 0.00 N ATOM 771 CA LEU A 52 -0.895 2.334 -4.016 1.00 0.00 C ATOM 772 C LEU A 52 0.436 2.759 -4.639 1.00 0.00 C ATOM 773 O LEU A 52 0.501 3.052 -5.832 1.00 0.00 O ATOM 774 CB LEU A 52 -1.500 1.081 -4.652 1.00 0.00 C ATOM 775 CG LEU A 52 -2.642 0.420 -3.878 1.00 0.00 C ATOM 776 CD1 LEU A 52 -2.473 0.624 -2.371 1.00 0.00 C ATOM 777 CD2 LEU A 52 -4.001 0.917 -4.375 1.00 0.00 C ATOM 0 H LEU A 52 -2.468 3.415 -4.881 1.00 0.00 H new ATOM 0 HA LEU A 52 -0.691 2.070 -2.978 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.864 1.342 -5.646 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -0.706 0.347 -4.786 1.00 0.00 H new ATOM 0 HG LEU A 52 -2.604 -0.653 -4.064 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -3.298 0.144 -1.844 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -1.530 0.183 -2.048 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.470 1.691 -2.146 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -4.795 0.431 -3.808 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -4.066 1.997 -4.239 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -4.111 0.678 -5.433 1.00 0.00 H new ATOM 789 N VAL A 53 1.464 2.780 -3.804 1.00 0.00 N ATOM 790 CA VAL A 53 2.789 3.165 -4.258 1.00 0.00 C ATOM 791 C VAL A 53 3.642 1.909 -4.452 1.00 0.00 C ATOM 792 O VAL A 53 3.981 1.230 -3.485 1.00 0.00 O ATOM 793 CB VAL A 53 3.409 4.163 -3.278 1.00 0.00 C ATOM 794 CG1 VAL A 53 4.888 4.395 -3.594 1.00 0.00 C ATOM 795 CG2 VAL A 53 2.635 5.482 -3.275 1.00 0.00 C ATOM 0 H VAL A 53 1.406 2.537 -2.815 1.00 0.00 H new ATOM 0 HA VAL A 53 2.730 3.670 -5.222 1.00 0.00 H new ATOM 0 HB VAL A 53 3.344 3.735 -2.278 1.00 0.00 H new ATOM 0 HG11 VAL A 53 5.304 5.108 -2.883 1.00 0.00 H new ATOM 0 HG12 VAL A 53 5.428 3.451 -3.520 1.00 0.00 H new ATOM 0 HG13 VAL A 53 4.986 4.791 -4.605 1.00 0.00 H new ATOM 0 HG21 VAL A 53 3.097 6.173 -2.570 1.00 0.00 H new ATOM 0 HG22 VAL A 53 2.653 5.917 -4.274 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.602 5.297 -2.979 1.00 0.00 H new ATOM 805 N ALA A 54 3.962 1.639 -5.709 1.00 0.00 N ATOM 806 CA ALA A 54 4.768 0.477 -6.042 1.00 0.00 C ATOM 807 C ALA A 54 6.242 0.885 -6.105 1.00 0.00 C ATOM 808 O ALA A 54 6.621 1.732 -6.911 1.00 0.00 O ATOM 809 CB ALA A 54 4.274 -0.127 -7.358 1.00 0.00 C ATOM 0 H ALA A 54 3.678 2.205 -6.509 1.00 0.00 H new ATOM 0 HA ALA A 54 4.671 -0.290 -5.274 1.00 0.00 H new ATOM 0 HB1 ALA A 54 4.879 -0.999 -7.608 1.00 0.00 H new ATOM 0 HB2 ALA A 54 3.231 -0.427 -7.252 1.00 0.00 H new ATOM 0 HB3 ALA A 54 4.359 0.614 -8.153 1.00 0.00 H new ATOM 815 N ILE A 55 7.032 0.262 -5.243 1.00 0.00 N ATOM 816 CA ILE A 55 8.455 0.549 -5.190 1.00 0.00 C ATOM 817 C ILE A 55 9.239 -0.700 -5.598 1.00 0.00 C ATOM 818 O ILE A 55 8.745 -1.818 -5.464 1.00 0.00 O ATOM 819 CB ILE A 55 8.841 1.094 -3.813 1.00 0.00 C ATOM 820 CG1 ILE A 55 7.863 2.179 -3.359 1.00 0.00 C ATOM 821 CG2 ILE A 55 10.289 1.588 -3.805 1.00 0.00 C ATOM 822 CD1 ILE A 55 8.503 3.091 -2.310 1.00 0.00 C ATOM 0 H ILE A 55 6.713 -0.441 -4.576 1.00 0.00 H new ATOM 0 HA ILE A 55 8.711 1.334 -5.902 1.00 0.00 H new ATOM 0 HB ILE A 55 8.775 0.279 -3.092 1.00 0.00 H new ATOM 0 HG12 ILE A 55 7.548 2.772 -4.218 1.00 0.00 H new ATOM 0 HG13 ILE A 55 6.967 1.716 -2.945 1.00 0.00 H new ATOM 0 HG21 ILE A 55 10.538 1.970 -2.815 1.00 0.00 H new ATOM 0 HG22 ILE A 55 10.956 0.763 -4.054 1.00 0.00 H new ATOM 0 HG23 ILE A 55 10.406 2.384 -4.541 1.00 0.00 H new ATOM 0 HD11 ILE A 55 7.786 3.853 -2.005 1.00 0.00 H new ATOM 0 HD12 ILE A 55 8.795 2.499 -1.443 1.00 0.00 H new ATOM 0 HD13 ILE A 55 9.385 3.571 -2.735 1.00 0.00 H new ATOM 834 N THR A 56 10.447 -0.467 -6.090 1.00 0.00 N ATOM 835 CA THR A 56 11.304 -1.559 -6.519 1.00 0.00 C ATOM 836 C THR A 56 12.453 -1.757 -5.528 1.00 0.00 C ATOM 837 O THR A 56 12.582 -1.005 -4.563 1.00 0.00 O ATOM 838 CB THR A 56 11.775 -1.259 -7.943 1.00 0.00 C ATOM 839 OG1 THR A 56 12.625 -2.356 -8.266 1.00 0.00 O ATOM 840 CG2 THR A 56 12.697 -0.040 -8.011 1.00 0.00 C ATOM 0 H THR A 56 10.853 0.462 -6.201 1.00 0.00 H new ATOM 0 HA THR A 56 10.762 -2.505 -6.533 1.00 0.00 H new ATOM 0 HB THR A 56 10.909 -1.095 -8.584 1.00 0.00 H new ATOM 0 HG1 THR A 56 12.974 -2.243 -9.175 1.00 0.00 H new ATOM 0 HG21 THR A 56 13.002 0.128 -9.044 1.00 0.00 H new ATOM 0 HG22 THR A 56 12.167 0.838 -7.641 1.00 0.00 H new ATOM 0 HG23 THR A 56 13.580 -0.217 -7.396 1.00 0.00 H new ATOM 848 N PHE A 57 13.259 -2.772 -5.801 1.00 0.00 N ATOM 849 CA PHE A 57 14.394 -3.078 -4.946 1.00 0.00 C ATOM 850 C PHE A 57 15.349 -1.886 -4.855 1.00 0.00 C ATOM 851 O PHE A 57 15.635 -1.398 -3.762 1.00 0.00 O ATOM 852 CB PHE A 57 15.129 -4.258 -5.584 1.00 0.00 C ATOM 853 CG PHE A 57 16.132 -4.943 -4.653 1.00 0.00 C ATOM 854 CD1 PHE A 57 15.691 -5.789 -3.683 1.00 0.00 C ATOM 855 CD2 PHE A 57 17.463 -4.706 -4.795 1.00 0.00 C ATOM 856 CE1 PHE A 57 16.621 -6.425 -2.819 1.00 0.00 C ATOM 857 CE2 PHE A 57 18.394 -5.342 -3.930 1.00 0.00 C ATOM 858 CZ PHE A 57 17.953 -6.188 -2.961 1.00 0.00 C ATOM 0 H PHE A 57 13.149 -3.393 -6.602 1.00 0.00 H new ATOM 0 HA PHE A 57 14.049 -3.310 -3.938 1.00 0.00 H new ATOM 0 HB2 PHE A 57 14.396 -4.993 -5.916 1.00 0.00 H new ATOM 0 HB3 PHE A 57 15.654 -3.908 -6.473 1.00 0.00 H new ATOM 0 HD1 PHE A 57 14.633 -5.977 -3.570 1.00 0.00 H new ATOM 0 HD2 PHE A 57 17.813 -4.034 -5.565 1.00 0.00 H new ATOM 0 HE1 PHE A 57 16.271 -7.097 -2.049 1.00 0.00 H new ATOM 0 HE2 PHE A 57 19.451 -5.153 -4.042 1.00 0.00 H new ATOM 0 HZ PHE A 57 18.660 -6.672 -2.304 1.00 0.00 H new ATOM 868 N SER A 58 15.815 -1.452 -6.016 1.00 0.00 N ATOM 869 CA SER A 58 16.732 -0.326 -6.081 1.00 0.00 C ATOM 870 C SER A 58 16.286 0.768 -5.110 1.00 0.00 C ATOM 871 O SER A 58 17.105 1.333 -4.387 1.00 0.00 O ATOM 872 CB SER A 58 16.820 0.230 -7.504 1.00 0.00 C ATOM 873 OG SER A 58 16.128 1.468 -7.637 1.00 0.00 O ATOM 0 H SER A 58 15.575 -1.859 -6.920 1.00 0.00 H new ATOM 0 HA SER A 58 17.724 -0.675 -5.794 1.00 0.00 H new ATOM 0 HB2 SER A 58 17.867 0.369 -7.775 1.00 0.00 H new ATOM 0 HB3 SER A 58 16.403 -0.495 -8.203 1.00 0.00 H new ATOM 0 HG SER A 58 16.209 1.791 -8.559 1.00 0.00 H new ATOM 879 N GLY A 59 14.988 1.035 -5.124 1.00 0.00 N ATOM 880 CA GLY A 59 14.424 2.052 -4.253 1.00 0.00 C ATOM 881 C GLY A 59 13.899 3.239 -5.064 1.00 0.00 C ATOM 882 O GLY A 59 14.548 4.280 -5.139 1.00 0.00 O ATOM 0 H GLY A 59 14.311 0.565 -5.725 1.00 0.00 H new ATOM 0 HA2 GLY A 59 13.614 1.623 -3.664 1.00 0.00 H new ATOM 0 HA3 GLY A 59 15.183 2.395 -3.549 1.00 0.00 H new ATOM 886 N GLU A 60 12.727 3.041 -5.651 1.00 0.00 N ATOM 887 CA GLU A 60 12.108 4.081 -6.454 1.00 0.00 C ATOM 888 C GLU A 60 10.589 4.064 -6.265 1.00 0.00 C ATOM 889 O GLU A 60 9.943 3.045 -6.501 1.00 0.00 O ATOM 890 CB GLU A 60 12.478 3.929 -7.931 1.00 0.00 C ATOM 891 CG GLU A 60 13.906 4.414 -8.191 1.00 0.00 C ATOM 892 CD GLU A 60 14.082 4.845 -9.648 1.00 0.00 C ATOM 893 OE1 GLU A 60 14.245 3.938 -10.492 1.00 0.00 O ATOM 894 OE2 GLU A 60 14.049 6.072 -9.885 1.00 0.00 O ATOM 0 H GLU A 60 12.191 2.176 -5.586 1.00 0.00 H new ATOM 0 HA GLU A 60 12.487 5.046 -6.117 1.00 0.00 H new ATOM 0 HB2 GLU A 60 12.385 2.884 -8.227 1.00 0.00 H new ATOM 0 HB3 GLU A 60 11.779 4.497 -8.545 1.00 0.00 H new ATOM 0 HG2 GLU A 60 14.136 5.250 -7.530 1.00 0.00 H new ATOM 0 HG3 GLU A 60 14.613 3.618 -7.956 1.00 0.00 H new ATOM 901 N LYS A 61 10.065 5.204 -5.842 1.00 0.00 N ATOM 902 CA LYS A 61 8.635 5.333 -5.619 1.00 0.00 C ATOM 903 C LYS A 61 7.912 5.350 -6.967 1.00 0.00 C ATOM 904 O LYS A 61 8.412 5.920 -7.936 1.00 0.00 O ATOM 905 CB LYS A 61 8.336 6.553 -4.745 1.00 0.00 C ATOM 906 CG LYS A 61 8.314 6.174 -3.263 1.00 0.00 C ATOM 907 CD LYS A 61 8.198 7.419 -2.380 1.00 0.00 C ATOM 908 CE LYS A 61 9.366 7.503 -1.396 1.00 0.00 C ATOM 909 NZ LYS A 61 10.346 8.520 -1.839 1.00 0.00 N ATOM 0 H LYS A 61 10.605 6.047 -5.648 1.00 0.00 H new ATOM 0 HA LYS A 61 8.257 4.473 -5.065 1.00 0.00 H new ATOM 0 HB2 LYS A 61 9.090 7.321 -4.916 1.00 0.00 H new ATOM 0 HB3 LYS A 61 7.375 6.981 -5.029 1.00 0.00 H new ATOM 0 HG2 LYS A 61 7.475 5.506 -3.067 1.00 0.00 H new ATOM 0 HG3 LYS A 61 9.223 5.628 -3.010 1.00 0.00 H new ATOM 0 HD2 LYS A 61 8.179 8.312 -3.005 1.00 0.00 H new ATOM 0 HD3 LYS A 61 7.256 7.394 -1.831 1.00 0.00 H new ATOM 0 HE2 LYS A 61 8.995 7.756 -0.403 1.00 0.00 H new ATOM 0 HE3 LYS A 61 9.853 6.531 -1.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 11.132 8.564 -1.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 10.713 8.263 -2.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 9.882 9.449 -1.892 1.00 0.00 H new ATOM 923 N HIS A 62 6.747 4.719 -6.986 1.00 0.00 N ATOM 924 CA HIS A 62 5.951 4.655 -8.200 1.00 0.00 C ATOM 925 C HIS A 62 4.467 4.564 -7.836 1.00 0.00 C ATOM 926 O HIS A 62 4.102 3.899 -6.868 1.00 0.00 O ATOM 927 CB HIS A 62 6.414 3.503 -9.093 1.00 0.00 C ATOM 928 CG HIS A 62 6.806 3.927 -10.489 1.00 0.00 C ATOM 929 ND1 HIS A 62 7.837 4.816 -10.740 1.00 0.00 N ATOM 930 CD2 HIS A 62 6.296 3.575 -11.704 1.00 0.00 C ATOM 931 CE1 HIS A 62 7.934 4.985 -12.051 1.00 0.00 C ATOM 932 NE2 HIS A 62 6.977 4.215 -12.646 1.00 0.00 N ATOM 0 H HIS A 62 6.335 4.248 -6.180 1.00 0.00 H new ATOM 0 HA HIS A 62 6.092 5.567 -8.780 1.00 0.00 H new ATOM 0 HB2 HIS A 62 7.265 3.011 -8.622 1.00 0.00 H new ATOM 0 HB3 HIS A 62 5.615 2.765 -9.159 1.00 0.00 H new ATOM 0 HD1 HIS A 62 8.423 5.265 -10.036 1.00 0.00 H new ATOM 0 HD2 HIS A 62 5.477 2.891 -11.871 1.00 0.00 H new ATOM 0 HE1 HIS A 62 8.645 5.620 -12.559 1.00 0.00 H new ATOM 940 N GLU A 63 3.653 5.242 -8.631 1.00 0.00 N ATOM 941 CA GLU A 63 2.218 5.246 -8.405 1.00 0.00 C ATOM 942 C GLU A 63 1.488 4.661 -9.616 1.00 0.00 C ATOM 943 O GLU A 63 1.941 4.810 -10.750 1.00 0.00 O ATOM 944 CB GLU A 63 1.716 6.657 -8.092 1.00 0.00 C ATOM 945 CG GLU A 63 1.611 6.878 -6.582 1.00 0.00 C ATOM 946 CD GLU A 63 2.889 7.512 -6.030 1.00 0.00 C ATOM 947 OE1 GLU A 63 3.041 8.738 -6.217 1.00 0.00 O ATOM 948 OE2 GLU A 63 3.686 6.755 -5.434 1.00 0.00 O ATOM 0 H GLU A 63 3.960 5.793 -9.433 1.00 0.00 H new ATOM 0 HA GLU A 63 2.005 4.619 -7.539 1.00 0.00 H new ATOM 0 HB2 GLU A 63 2.394 7.393 -8.525 1.00 0.00 H new ATOM 0 HB3 GLU A 63 0.741 6.811 -8.555 1.00 0.00 H new ATOM 0 HG2 GLU A 63 0.758 7.521 -6.363 1.00 0.00 H new ATOM 0 HG3 GLU A 63 1.429 5.926 -6.083 1.00 0.00 H new ATOM 955 N LEU A 64 0.371 4.006 -9.334 1.00 0.00 N ATOM 956 CA LEU A 64 -0.425 3.398 -10.386 1.00 0.00 C ATOM 957 C LEU A 64 -1.874 3.875 -10.263 1.00 0.00 C ATOM 958 O LEU A 64 -2.139 4.920 -9.671 1.00 0.00 O ATOM 959 CB LEU A 64 -0.275 1.876 -10.360 1.00 0.00 C ATOM 960 CG LEU A 64 0.978 1.338 -9.667 1.00 0.00 C ATOM 961 CD1 LEU A 64 0.757 1.207 -8.159 1.00 0.00 C ATOM 962 CD2 LEU A 64 1.430 0.018 -10.296 1.00 0.00 C ATOM 0 H LEU A 64 -0.001 3.883 -8.392 1.00 0.00 H new ATOM 0 HA LEU A 64 -0.066 3.714 -11.366 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -1.150 1.453 -9.866 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -0.282 1.512 -11.388 1.00 0.00 H new ATOM 0 HG LEU A 64 1.784 2.057 -9.814 1.00 0.00 H new ATOM 0 HD11 LEU A 64 1.663 0.822 -7.691 1.00 0.00 H new ATOM 0 HD12 LEU A 64 0.519 2.185 -7.740 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -0.068 0.520 -7.971 1.00 0.00 H new ATOM 0 HD21 LEU A 64 2.323 -0.342 -9.784 1.00 0.00 H new ATOM 0 HD22 LEU A 64 0.635 -0.721 -10.202 1.00 0.00 H new ATOM 0 HD23 LEU A 64 1.655 0.176 -11.351 1.00 0.00 H new ATOM 974 N GLN A 65 -2.773 3.086 -10.833 1.00 0.00 N ATOM 975 CA GLN A 65 -4.188 3.414 -10.795 1.00 0.00 C ATOM 976 C GLN A 65 -4.918 2.504 -9.804 1.00 0.00 C ATOM 977 O GLN A 65 -4.394 1.462 -9.411 1.00 0.00 O ATOM 978 CB GLN A 65 -4.811 3.319 -12.189 1.00 0.00 C ATOM 979 CG GLN A 65 -4.638 4.630 -12.958 1.00 0.00 C ATOM 980 CD GLN A 65 -5.993 5.196 -13.387 1.00 0.00 C ATOM 981 OE1 GLN A 65 -6.632 4.716 -14.309 1.00 0.00 O ATOM 982 NE2 GLN A 65 -6.394 6.242 -12.671 1.00 0.00 N ATOM 0 H GLN A 65 -2.549 2.220 -11.324 1.00 0.00 H new ATOM 0 HA GLN A 65 -4.293 4.445 -10.456 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -4.346 2.504 -12.744 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -5.871 3.082 -12.102 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -4.118 5.356 -12.334 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -4.016 4.461 -13.837 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -5.811 6.594 -11.912 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -7.285 6.692 -12.881 1.00 0.00 H new ATOM 991 N PRO A 66 -6.147 2.941 -9.419 1.00 0.00 N ATOM 992 CA PRO A 66 -6.953 2.178 -8.483 1.00 0.00 C ATOM 993 C PRO A 66 -7.565 0.949 -9.160 1.00 0.00 C ATOM 994 O PRO A 66 -8.205 0.129 -8.504 1.00 0.00 O ATOM 995 CB PRO A 66 -7.998 3.157 -7.974 1.00 0.00 C ATOM 996 CG PRO A 66 -8.031 4.294 -8.983 1.00 0.00 C ATOM 997 CD PRO A 66 -6.798 4.170 -9.864 1.00 0.00 C ATOM 0 HA PRO A 66 -6.368 1.775 -7.656 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -8.974 2.679 -7.892 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -7.739 3.524 -6.981 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -8.938 4.243 -9.586 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -8.041 5.257 -8.473 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -7.069 4.115 -10.918 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -6.140 5.031 -9.748 1.00 0.00 H new ATOM 1005 N ASN A 67 -7.345 0.862 -10.463 1.00 0.00 N ATOM 1006 CA ASN A 67 -7.866 -0.253 -11.237 1.00 0.00 C ATOM 1007 C ASN A 67 -6.713 -1.177 -11.633 1.00 0.00 C ATOM 1008 O ASN A 67 -6.934 -2.233 -12.224 1.00 0.00 O ATOM 1009 CB ASN A 67 -8.543 0.235 -12.519 1.00 0.00 C ATOM 1010 CG ASN A 67 -7.805 1.441 -13.103 1.00 0.00 C ATOM 1011 OD1 ASN A 67 -6.692 1.128 -13.761 1.00 0.00 O flip ATOM 1012 ND2 ASN A 67 -8.219 2.581 -12.966 1.00 0.00 N flip ATOM 0 H ASN A 67 -6.813 1.545 -11.003 1.00 0.00 H new ATOM 0 HA ASN A 67 -8.596 -0.778 -10.621 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -8.566 -0.571 -13.252 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -9.578 0.504 -12.308 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -9.081 2.752 -12.449 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -7.703 3.363 -13.369 1.00 0.00 H new ATOM 1019 N ASP A 68 -5.508 -0.746 -11.291 1.00 0.00 N ATOM 1020 CA ASP A 68 -4.319 -1.521 -11.604 1.00 0.00 C ATOM 1021 C ASP A 68 -4.243 -2.729 -10.667 1.00 0.00 C ATOM 1022 O ASP A 68 -4.520 -2.613 -9.475 1.00 0.00 O ATOM 1023 CB ASP A 68 -3.051 -0.689 -11.406 1.00 0.00 C ATOM 1024 CG ASP A 68 -1.879 -1.072 -12.312 1.00 0.00 C ATOM 1025 OD1 ASP A 68 -1.166 -2.030 -11.944 1.00 0.00 O ATOM 1026 OD2 ASP A 68 -1.722 -0.397 -13.353 1.00 0.00 O ATOM 0 H ASP A 68 -5.329 0.130 -10.800 1.00 0.00 H new ATOM 0 HA ASP A 68 -4.385 -1.835 -12.646 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -3.293 0.360 -11.574 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -2.733 -0.780 -10.367 1.00 0.00 H new ATOM 1031 N LEU A 69 -3.866 -3.861 -11.243 1.00 0.00 N ATOM 1032 CA LEU A 69 -3.749 -5.089 -10.475 1.00 0.00 C ATOM 1033 C LEU A 69 -2.731 -4.887 -9.351 1.00 0.00 C ATOM 1034 O LEU A 69 -1.859 -4.026 -9.445 1.00 0.00 O ATOM 1035 CB LEU A 69 -3.424 -6.267 -11.395 1.00 0.00 C ATOM 1036 CG LEU A 69 -4.343 -7.485 -11.276 1.00 0.00 C ATOM 1037 CD1 LEU A 69 -5.813 -7.062 -11.245 1.00 0.00 C ATOM 1038 CD2 LEU A 69 -4.060 -8.496 -12.389 1.00 0.00 C ATOM 0 H LEU A 69 -3.638 -3.954 -12.233 1.00 0.00 H new ATOM 0 HA LEU A 69 -4.700 -5.336 -10.003 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -3.452 -5.915 -12.426 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.402 -6.587 -11.195 1.00 0.00 H new ATOM 0 HG LEU A 69 -4.131 -7.982 -10.329 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -6.444 -7.946 -11.160 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -5.986 -6.409 -10.389 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -6.058 -6.529 -12.164 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -4.726 -9.352 -12.281 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -4.227 -8.026 -13.358 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -3.025 -8.831 -12.321 1.00 0.00 H new ATOM 1050 N VAL A 70 -2.877 -5.697 -8.312 1.00 0.00 N ATOM 1051 CA VAL A 70 -1.982 -5.618 -7.170 1.00 0.00 C ATOM 1052 C VAL A 70 -1.101 -6.869 -7.132 1.00 0.00 C ATOM 1053 O VAL A 70 0.096 -6.781 -6.862 1.00 0.00 O ATOM 1054 CB VAL A 70 -2.788 -5.415 -5.886 1.00 0.00 C ATOM 1055 CG1 VAL A 70 -2.654 -3.978 -5.377 1.00 0.00 C ATOM 1056 CG2 VAL A 70 -4.257 -5.788 -6.095 1.00 0.00 C ATOM 0 H VAL A 70 -3.602 -6.411 -8.237 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.321 -4.756 -7.261 1.00 0.00 H new ATOM 0 HB VAL A 70 -2.379 -6.080 -5.125 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -3.236 -3.860 -4.463 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -1.606 -3.762 -5.170 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -3.024 -3.288 -6.135 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -4.807 -5.634 -5.167 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -4.684 -5.161 -6.878 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -4.328 -6.835 -6.390 1.00 0.00 H new ATOM 1066 N ILE A 71 -1.727 -8.004 -7.405 1.00 0.00 N ATOM 1067 CA ILE A 71 -1.015 -9.270 -7.405 1.00 0.00 C ATOM 1068 C ILE A 71 -0.973 -9.827 -8.830 1.00 0.00 C ATOM 1069 O ILE A 71 -1.640 -10.815 -9.134 1.00 0.00 O ATOM 1070 CB ILE A 71 -1.632 -10.232 -6.387 1.00 0.00 C ATOM 1071 CG1 ILE A 71 -1.050 -11.638 -6.539 1.00 0.00 C ATOM 1072 CG2 ILE A 71 -3.159 -10.229 -6.487 1.00 0.00 C ATOM 1073 CD1 ILE A 71 -1.168 -12.424 -5.232 1.00 0.00 C ATOM 0 H ILE A 71 -2.720 -8.073 -7.628 1.00 0.00 H new ATOM 0 HA ILE A 71 0.018 -9.126 -7.088 1.00 0.00 H new ATOM 0 HB ILE A 71 -1.374 -9.884 -5.387 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -1.573 -12.168 -7.335 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -0.003 -11.572 -6.835 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -3.573 -10.921 -5.753 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -3.534 -9.225 -6.291 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -3.459 -10.540 -7.488 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -0.747 -13.420 -5.367 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -0.623 -11.904 -4.444 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -2.218 -12.509 -4.952 1.00 0.00 H new ATOM 1191 N ARG A 80 7.263 -4.812 -3.475 1.00 0.00 N ATOM 1192 CA ARG A 80 6.482 -4.442 -2.307 1.00 0.00 C ATOM 1193 C ARG A 80 5.734 -3.132 -2.563 1.00 0.00 C ATOM 1194 O ARG A 80 6.351 -2.102 -2.830 1.00 0.00 O ATOM 1195 CB ARG A 80 7.377 -4.279 -1.076 1.00 0.00 C ATOM 1196 CG ARG A 80 8.733 -3.683 -1.459 1.00 0.00 C ATOM 1197 CD ARG A 80 9.805 -4.771 -1.544 1.00 0.00 C ATOM 1198 NE ARG A 80 10.222 -5.178 -0.183 1.00 0.00 N ATOM 1199 CZ ARG A 80 11.149 -4.539 0.542 1.00 0.00 C ATOM 1200 NH1 ARG A 80 11.764 -3.458 0.041 1.00 0.00 N ATOM 1201 NH2 ARG A 80 11.463 -4.979 1.767 1.00 0.00 N ATOM 0 HA ARG A 80 5.766 -5.242 -2.118 1.00 0.00 H new ATOM 0 HB2 ARG A 80 6.885 -3.635 -0.347 1.00 0.00 H new ATOM 0 HB3 ARG A 80 7.523 -5.247 -0.598 1.00 0.00 H new ATOM 0 HG2 ARG A 80 8.652 -3.172 -2.418 1.00 0.00 H new ATOM 0 HG3 ARG A 80 9.027 -2.935 -0.723 1.00 0.00 H new ATOM 0 HD2 ARG A 80 9.418 -5.633 -2.088 1.00 0.00 H new ATOM 0 HD3 ARG A 80 10.666 -4.402 -2.102 1.00 0.00 H new ATOM 0 HE ARG A 80 9.775 -5.997 0.229 1.00 0.00 H new ATOM 0 HH11 ARG A 80 11.526 -3.122 -0.892 1.00 0.00 H new ATOM 0 HH12 ARG A 80 12.470 -2.971 0.593 1.00 0.00 H new ATOM 0 HH21 ARG A 80 10.996 -5.802 2.149 1.00 0.00 H new ATOM 0 HH22 ARG A 80 12.169 -4.492 2.318 1.00 0.00 H new ATOM 1215 N ILE A 81 4.414 -3.215 -2.471 1.00 0.00 N ATOM 1216 CA ILE A 81 3.575 -2.049 -2.689 1.00 0.00 C ATOM 1217 C ILE A 81 3.427 -1.280 -1.374 1.00 0.00 C ATOM 1218 O ILE A 81 3.624 -1.840 -0.297 1.00 0.00 O ATOM 1219 CB ILE A 81 2.241 -2.459 -3.315 1.00 0.00 C ATOM 1220 CG1 ILE A 81 2.444 -3.002 -4.731 1.00 0.00 C ATOM 1221 CG2 ILE A 81 1.241 -1.301 -3.283 1.00 0.00 C ATOM 1222 CD1 ILE A 81 1.104 -3.361 -5.378 1.00 0.00 C ATOM 0 H ILE A 81 3.906 -4.071 -2.249 1.00 0.00 H new ATOM 0 HA ILE A 81 4.042 -1.372 -3.404 1.00 0.00 H new ATOM 0 HB ILE A 81 1.817 -3.267 -2.718 1.00 0.00 H new ATOM 0 HG12 ILE A 81 2.958 -2.258 -5.339 1.00 0.00 H new ATOM 0 HG13 ILE A 81 3.084 -3.884 -4.698 1.00 0.00 H new ATOM 0 HG21 ILE A 81 0.301 -1.619 -3.734 1.00 0.00 H new ATOM 0 HG22 ILE A 81 1.064 -1.001 -2.250 1.00 0.00 H new ATOM 0 HG23 ILE A 81 1.644 -0.457 -3.842 1.00 0.00 H new ATOM 0 HD11 ILE A 81 1.277 -3.744 -6.384 1.00 0.00 H new ATOM 0 HD12 ILE A 81 0.604 -4.123 -4.780 1.00 0.00 H new ATOM 0 HD13 ILE A 81 0.476 -2.472 -5.432 1.00 0.00 H new ATOM 1234 N TYR A 82 3.081 -0.008 -1.506 1.00 0.00 N ATOM 1235 CA TYR A 82 2.904 0.844 -0.342 1.00 0.00 C ATOM 1236 C TYR A 82 1.672 1.737 -0.498 1.00 0.00 C ATOM 1237 O TYR A 82 1.005 1.707 -1.532 1.00 0.00 O ATOM 1238 CB TYR A 82 4.152 1.726 -0.271 1.00 0.00 C ATOM 1239 CG TYR A 82 5.438 0.959 0.048 1.00 0.00 C ATOM 1240 CD1 TYR A 82 6.104 0.282 -0.953 1.00 0.00 C ATOM 1241 CD2 TYR A 82 5.931 0.946 1.337 1.00 0.00 C ATOM 1242 CE1 TYR A 82 7.313 -0.439 -0.653 1.00 0.00 C ATOM 1243 CE2 TYR A 82 7.141 0.225 1.637 1.00 0.00 C ATOM 1244 CZ TYR A 82 7.772 -0.432 0.627 1.00 0.00 C ATOM 1245 OH TYR A 82 8.915 -1.113 0.911 1.00 0.00 O ATOM 0 H TYR A 82 2.918 0.453 -2.401 1.00 0.00 H new ATOM 0 HA TYR A 82 2.765 0.242 0.556 1.00 0.00 H new ATOM 0 HB2 TYR A 82 4.275 2.241 -1.224 1.00 0.00 H new ATOM 0 HB3 TYR A 82 4.000 2.493 0.489 1.00 0.00 H new ATOM 0 HD1 TYR A 82 5.718 0.293 -1.962 1.00 0.00 H new ATOM 0 HD2 TYR A 82 5.410 1.476 2.120 1.00 0.00 H new ATOM 0 HE1 TYR A 82 7.844 -0.974 -1.427 1.00 0.00 H new ATOM 0 HE2 TYR A 82 7.538 0.206 2.641 1.00 0.00 H new ATOM 0 HH TYR A 82 8.717 -1.835 1.544 1.00 0.00 H new ATOM 1255 N VAL A 83 1.406 2.512 0.543 1.00 0.00 N ATOM 1256 CA VAL A 83 0.266 3.412 0.534 1.00 0.00 C ATOM 1257 C VAL A 83 0.686 4.766 1.110 1.00 0.00 C ATOM 1258 O VAL A 83 1.246 4.833 2.204 1.00 0.00 O ATOM 1259 CB VAL A 83 -0.906 2.780 1.287 1.00 0.00 C ATOM 1260 CG1 VAL A 83 -0.470 2.292 2.670 1.00 0.00 C ATOM 1261 CG2 VAL A 83 -2.080 3.756 1.395 1.00 0.00 C ATOM 0 H VAL A 83 1.961 2.535 1.399 1.00 0.00 H new ATOM 0 HA VAL A 83 -0.076 3.585 -0.486 1.00 0.00 H new ATOM 0 HB VAL A 83 -1.242 1.914 0.717 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -1.322 1.847 3.184 1.00 0.00 H new ATOM 0 HG12 VAL A 83 0.318 1.547 2.561 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -0.095 3.134 3.251 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -2.899 3.281 1.935 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -1.762 4.650 1.932 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -2.416 4.033 0.396 1.00 0.00 H new ATOM 1271 N TYR A 84 0.399 5.812 0.349 1.00 0.00 N ATOM 1272 CA TYR A 84 0.740 7.160 0.771 1.00 0.00 C ATOM 1273 C TYR A 84 -0.516 8.021 0.925 1.00 0.00 C ATOM 1274 O TYR A 84 -1.568 7.694 0.376 1.00 0.00 O ATOM 1275 CB TYR A 84 1.609 7.743 -0.345 1.00 0.00 C ATOM 1276 CG TYR A 84 3.040 7.202 -0.366 1.00 0.00 C ATOM 1277 CD1 TYR A 84 3.263 5.843 -0.448 1.00 0.00 C ATOM 1278 CD2 TYR A 84 4.108 8.074 -0.302 1.00 0.00 C ATOM 1279 CE1 TYR A 84 4.610 5.334 -0.467 1.00 0.00 C ATOM 1280 CE2 TYR A 84 5.455 7.565 -0.322 1.00 0.00 C ATOM 1281 CZ TYR A 84 5.639 6.220 -0.403 1.00 0.00 C ATOM 1282 OH TYR A 84 6.911 5.739 -0.422 1.00 0.00 O ATOM 0 H TYR A 84 -0.066 5.753 -0.557 1.00 0.00 H new ATOM 0 HA TYR A 84 1.250 7.143 1.734 1.00 0.00 H new ATOM 0 HB2 TYR A 84 1.138 7.533 -1.305 1.00 0.00 H new ATOM 0 HB3 TYR A 84 1.643 8.827 -0.237 1.00 0.00 H new ATOM 0 HD1 TYR A 84 2.427 5.161 -0.498 1.00 0.00 H new ATOM 0 HD2 TYR A 84 3.934 9.138 -0.237 1.00 0.00 H new ATOM 0 HE1 TYR A 84 4.798 4.272 -0.531 1.00 0.00 H new ATOM 0 HE2 TYR A 84 6.300 8.236 -0.274 1.00 0.00 H new ATOM 0 HH TYR A 84 6.899 4.776 -0.241 1.00 0.00 H new ATOM 1292 N ARG A 85 -0.365 9.103 1.674 1.00 0.00 N ATOM 1293 CA ARG A 85 -1.474 10.013 1.907 1.00 0.00 C ATOM 1294 C ARG A 85 -1.457 11.145 0.877 1.00 0.00 C ATOM 1295 O ARG A 85 -0.456 11.845 0.736 1.00 0.00 O ATOM 1296 CB ARG A 85 -1.409 10.611 3.314 1.00 0.00 C ATOM 1297 CG ARG A 85 -2.809 10.750 3.915 1.00 0.00 C ATOM 1298 CD ARG A 85 -3.209 12.222 4.037 1.00 0.00 C ATOM 1299 NE ARG A 85 -2.479 12.854 5.158 1.00 0.00 N ATOM 1300 CZ ARG A 85 -2.775 14.059 5.663 1.00 0.00 C ATOM 1301 NH1 ARG A 85 -3.789 14.769 5.151 1.00 0.00 N ATOM 1302 NH2 ARG A 85 -2.058 14.554 6.681 1.00 0.00 N ATOM 0 H ARG A 85 0.509 9.370 2.128 1.00 0.00 H new ATOM 0 HA ARG A 85 -2.398 9.443 1.809 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -0.796 9.977 3.954 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -0.927 11.588 3.276 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -3.531 10.224 3.290 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -2.835 10.280 4.898 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -2.988 12.746 3.107 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -4.284 12.303 4.200 1.00 0.00 H new ATOM 0 HE ARG A 85 -1.702 12.340 5.572 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -4.336 14.392 4.377 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -4.014 15.686 5.535 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -1.286 14.013 7.072 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -2.284 15.472 7.065 1.00 0.00 H new ATOM 1316 N LYS A 86 -2.577 11.289 0.185 1.00 0.00 N ATOM 1317 CA LYS A 86 -2.704 12.324 -0.827 1.00 0.00 C ATOM 1318 C LYS A 86 -2.617 13.697 -0.159 1.00 0.00 C ATOM 1319 O LYS A 86 -3.506 14.080 0.600 1.00 0.00 O ATOM 1320 CB LYS A 86 -3.980 12.118 -1.646 1.00 0.00 C ATOM 1321 CG LYS A 86 -3.812 10.969 -2.643 1.00 0.00 C ATOM 1322 CD LYS A 86 -4.567 11.256 -3.942 1.00 0.00 C ATOM 1323 CE LYS A 86 -3.636 11.858 -4.996 1.00 0.00 C ATOM 1324 NZ LYS A 86 -4.397 12.228 -6.210 1.00 0.00 N ATOM 0 H LYS A 86 -3.405 10.706 0.305 1.00 0.00 H new ATOM 0 HA LYS A 86 -1.882 12.263 -1.540 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -4.815 11.906 -0.978 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -4.225 13.036 -2.181 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -2.754 10.821 -2.858 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -4.180 10.043 -2.201 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -5.006 10.334 -4.323 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -5.390 11.942 -3.744 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -3.138 12.738 -4.590 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -2.856 11.141 -5.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -3.750 12.635 -6.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -4.852 11.381 -6.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -5.125 12.929 -5.963 1.00 0.00 H new ATOM 1424 N ASN A 93 4.825 11.267 -0.396 1.00 0.00 N ATOM 1425 CA ASN A 93 5.532 11.161 0.869 1.00 0.00 C ATOM 1426 C ASN A 93 4.853 10.102 1.740 1.00 0.00 C ATOM 1427 O ASN A 93 3.627 10.003 1.760 1.00 0.00 O ATOM 1428 CB ASN A 93 5.503 12.488 1.629 1.00 0.00 C ATOM 1429 CG ASN A 93 6.093 13.618 0.782 1.00 0.00 C ATOM 1430 OD1 ASN A 93 7.275 13.915 0.835 1.00 0.00 O ATOM 1431 ND2 ASN A 93 5.206 14.228 0.001 1.00 0.00 N ATOM 0 HA ASN A 93 6.566 10.890 0.656 1.00 0.00 H new ATOM 0 HB2 ASN A 93 4.477 12.732 1.903 1.00 0.00 H new ATOM 0 HB3 ASN A 93 6.066 12.392 2.557 1.00 0.00 H new ATOM 0 HD21 ASN A 93 5.501 14.995 -0.603 1.00 0.00 H new ATOM 0 HD22 ASN A 93 4.231 13.928 0.006 1.00 0.00 H new ATOM 1438 N PRO A 94 5.701 9.318 2.457 1.00 0.00 N ATOM 1439 CA PRO A 94 5.195 8.270 3.328 1.00 0.00 C ATOM 1440 C PRO A 94 4.603 8.861 4.609 1.00 0.00 C ATOM 1441 O PRO A 94 4.366 10.065 4.690 1.00 0.00 O ATOM 1442 CB PRO A 94 6.388 7.365 3.588 1.00 0.00 C ATOM 1443 CG PRO A 94 7.619 8.185 3.238 1.00 0.00 C ATOM 1444 CD PRO A 94 7.158 9.406 2.458 1.00 0.00 C ATOM 0 HA PRO A 94 4.376 7.708 2.879 1.00 0.00 H new ATOM 0 HB2 PRO A 94 6.415 7.045 4.630 1.00 0.00 H new ATOM 0 HB3 PRO A 94 6.334 6.463 2.979 1.00 0.00 H new ATOM 0 HG2 PRO A 94 8.147 8.487 4.143 1.00 0.00 H new ATOM 0 HG3 PRO A 94 8.316 7.593 2.644 1.00 0.00 H new ATOM 0 HD2 PRO A 94 7.498 10.328 2.929 1.00 0.00 H new ATOM 0 HD3 PRO A 94 7.556 9.401 1.443 1.00 0.00 H new ATOM 1452 N PHE A 95 4.380 7.985 5.579 1.00 0.00 N ATOM 1453 CA PHE A 95 3.820 8.405 6.852 1.00 0.00 C ATOM 1454 C PHE A 95 4.890 8.415 7.945 1.00 0.00 C ATOM 1455 O PHE A 95 6.068 8.194 7.668 1.00 0.00 O ATOM 1456 CB PHE A 95 2.739 7.388 7.222 1.00 0.00 C ATOM 1457 CG PHE A 95 1.375 7.671 6.591 1.00 0.00 C ATOM 1458 CD1 PHE A 95 0.683 8.789 6.939 1.00 0.00 C ATOM 1459 CD2 PHE A 95 0.854 6.805 5.680 1.00 0.00 C ATOM 1460 CE1 PHE A 95 -0.583 9.052 6.353 1.00 0.00 C ATOM 1461 CE2 PHE A 95 -0.413 7.069 5.094 1.00 0.00 C ATOM 1462 CZ PHE A 95 -1.104 8.187 5.443 1.00 0.00 C ATOM 0 H PHE A 95 4.577 6.987 5.508 1.00 0.00 H new ATOM 0 HA PHE A 95 3.417 9.414 6.767 1.00 0.00 H new ATOM 0 HB2 PHE A 95 3.070 6.395 6.917 1.00 0.00 H new ATOM 0 HB3 PHE A 95 2.629 7.369 8.306 1.00 0.00 H new ATOM 0 HD1 PHE A 95 1.097 9.477 7.661 1.00 0.00 H new ATOM 0 HD2 PHE A 95 1.403 5.917 5.403 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -1.132 9.940 6.630 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -0.827 6.382 4.371 1.00 0.00 H new ATOM 0 HZ PHE A 95 -2.067 8.388 4.997 1.00 0.00 H new